          138
Energy of minimum      1=     -386.7507662389 first found at step    31216
N          -6.1906918988        1.4294952215       -9.5297299070
H1         -6.6516488865        2.3029819665       -9.7905539689
H2         -6.0927162426        1.4275267624       -8.5070424487
H3         -6.8013920758        0.6617279072       -9.7783806252
CA         -4.8520561749        1.2998088854      -10.1798759537
HA2        -4.3286462822        0.4349962121       -9.7690378369
HA3        -4.9868403814        1.1310251425      -11.2498138095
C          -3.9578717371        2.5427748766      -10.0092847049
O          -3.1345275318        2.6065981315       -9.0941644023
N          -4.1523144795        3.5347406112      -10.8846214820
H          -4.8074578749        3.3609186771      -11.6396477590
CA         -3.4322264997        4.8229828719      -10.8918513768
HA         -3.1781401758        5.0833829355       -9.8650004295
CB         -2.1066594131        4.6532728087      -11.6591768949
HB2        -1.5601210078        5.5966850360      -11.6331659374
HB3        -1.4912364778        3.9277498105      -11.1258082100
CG         -2.2362468510        4.2073763204      -13.1068972907
CD1        -2.5025336998        5.1488212143      -14.1209127559
HD1        -2.6109086638        6.1949144116      -13.8713149795
CE1        -2.6244521641        4.7370296603      -15.4618039749
HE1        -2.8358061455        5.4646591688      -16.2332394711
CZ         -2.4623646720        3.3732907116      -15.7986009564
OH         -2.5746226406        2.9626335625      -17.0940305681
HH         -2.7682033963        3.6883803863      -17.7085286188
CE2        -2.1758178659        2.4311831424      -14.7849095968
HE2        -2.0472011645        1.3888979281      -15.0419870063
CD2        -2.0685081308        2.8492102217      -13.4445304004
HD2        -1.8535088464        2.1233456252      -12.6721585290
C          -4.2668921779        6.0084890263      -11.4377922971
O          -3.7571468225        7.1245907677      -11.5526531858
N          -5.5454437931        5.7815344936      -11.7685213146
H          -5.9308585658        4.8769760751      -11.5344051488
CA         -6.4260554319        6.6879312088      -12.5260619592
HA         -6.3773466038        7.6802243967      -12.0789967943
CB         -5.9068081895        6.7735079390      -13.9766115963
HB2        -5.9727701995        5.7846617551      -14.4357617806
HB3        -4.8545044070        7.0581970118      -13.9709880399
CG         -6.6737308547        7.7859612421      -14.8380175379
OD1        -7.7222905765        7.4044739274      -15.4069785891
OD2        -6.2248324593        8.9521959179      -14.9420368067
C          -7.8838354874        6.1685792897      -12.4965133992
O          -8.0669249675        4.9495698130      -12.4430155524
N          -8.9291670987        7.0175424295      -12.5683501976
CD         -8.8794866521        8.4639908693      -12.4168688311
HD2        -8.5881685279        8.9307976475      -13.3564532928
HD3        -8.1957335192        8.7540646698      -11.6233774357
CG        -10.3009551688        8.8913486439      -12.0616586789
HG2       -10.5144261283        9.9072759348      -12.3954278552
HG3       -10.4571602037        8.7955374204      -10.9859263755
CB        -11.1466941040        7.8574438956      -12.8001401679
HB2       -12.1378359170        7.7548971017      -12.3568234324
HB3       -11.2239476657        8.1364992966      -13.8527595362
CA        -10.3234989594        6.5743811278      -12.6519823916
HA        -10.5796595971        6.1060042070      -11.7005808719
C         -10.6349038416        5.5772601212      -13.7846269892
O         -11.5624486515        4.7828429458      -13.6387029478
N          -9.8603883830        5.5590225471      -14.8802173106
H          -9.1348276799        6.2694210549      -14.9852389184
CA         -9.9793270768        4.5594617607      -15.9547721889
HA        -11.0233602780        4.5257465146      -16.2703767300
CB         -9.1339297688        5.0178080992      -17.1564675239
HB2        -8.0762209342        4.9753988423      -16.8924174751
HB3        -9.3936889680        6.0519166354      -17.3877311080
CG         -9.3707776280        4.1767127127      -18.4167465567
HG2        -9.0264297734        3.1554706513      -18.2465864725
HG3       -10.4410279152        4.1441388885      -18.6308414988
CD         -8.6244420809        4.7682932799      -19.6210190185
OE1        -9.2176952016        5.5836684054      -20.3680716334
OE2        -7.4414552241        4.4139789109      -19.8429453814
C          -9.5728581087        3.1413469274      -15.4922922330
O         -10.1336405539        2.1494158356      -15.9698901364
N          -8.6526693555        3.0416683048      -14.5172000067
H          -8.2620522749        3.9093609680      -14.1687988132
CA         -8.2882327116        1.7926129756      -13.8075619658
HA         -8.3896772857        0.9667121754      -14.5126314132
CB         -6.8228643320        1.7991123771      -13.3440553261
HB         -6.5621525587        0.7955389012      -13.0048531242
CG2        -5.8404036820        2.1932318837      -14.4421748479
HG21       -5.9955724343        1.5656931305      -15.3197219765
HG22       -4.8273370964        2.0427712563      -14.0753627898
HG23       -5.9650415932        3.2407659627      -14.7151190663
OG1        -6.6398434842        2.6939127423      -12.2713789841
HG1        -7.2385917956        3.4565454501      -12.3962057150
C          -9.2420576195        1.4667802367      -12.6472165724
O          -8.9824115744        0.5532563145      -11.8622407621
N         -10.3320465531        2.2325802827      -12.5160021692
H         -10.4688310521        2.9558993691      -13.2105220201
CA        -11.3819810654        2.1037804882      -11.4974246066
HA2       -12.3429082015        2.3226190395      -11.9643879108
HA3       -11.3941447146        1.0872765815      -11.1024299706
C         -11.2312866610        3.0641104222      -10.3119768530
O         -12.2245788940        3.3115657395       -9.6251785082
N         -10.0220474149        3.6089694706      -10.0877307553
H          -9.2957669955        3.3763284827      -10.7524146742
CA         -9.6124532291        4.4669585750       -8.9533290357
HA        -10.1436230230        5.4142942064       -9.0500956268
CB        -10.0178418822        3.8706569691       -7.5854142411
HB        -11.1013290450        3.7578477270       -7.5446304301
CG2        -9.3795194228        2.5090759843       -7.3020782582
HG21       -9.6797642736        1.7879976434       -8.0617465976
HG22       -9.7125338703        2.1425519245       -6.3306725769
HG23       -8.2959139812        2.5979568222       -7.2955361665
OG1        -9.6440199879        4.7583123691       -6.5522334237
HG1       -10.0741543848        4.4758700475       -5.7219110538
C          -8.1189395348        4.7892932564       -9.0272119681
O          -7.3359735042        4.0247940780       -9.5978017650
N          -7.7285046670        5.9036624577       -8.4075837646
H          -8.4467946732        6.4279201763       -7.9286384846
CA         -6.3602488193        6.4232603501       -8.2950925287
HA         -5.9705180259        6.5957527532       -9.2960644886
CB         -6.4276259637        7.7747426175       -7.5670200002
HB2        -6.7752087386        7.6050185715       -6.5461710100
HB3        -5.4167923470        8.1794449634       -7.4971731681
CG         -7.2908283354        8.8251609973       -8.1996180546
CD1        -8.5278211503        9.1811300805       -7.7851487876
HD1        -9.0499647843        8.7447074353       -6.9406613888
NE1        -9.0176532999       10.1918731229       -8.5891180873
HE1        -9.9280663082       10.6191623646       -8.4532238784
CE2        -8.1134931030       10.5422338198       -9.5694305256
CZ2        -8.1417671011       11.4848801738      -10.6088804639
HZ2        -9.0059847563       12.1197985242      -10.7459763323
CH2        -7.0374772039       11.5845323438      -11.4723072527
HH2        -7.0445691680       12.3025546281      -12.2824920705
CZ3        -5.9224996503       10.7479054109      -11.2826478265
HZ3        -5.0736724505       10.8253593006      -11.9496125074
CE3        -5.9015341604        9.8101794675      -10.2318475534
HE3        -5.0368225359        9.1756476151      -10.0987421602
CD2        -6.9969940764        9.6788572733       -9.3495204731
C          -5.3696069650        5.4917365544       -7.5613717969
O          -4.1602479389        5.7214948229       -7.6215402516
N          -5.8579296867        4.4547991457       -6.8666177601
H          -6.8668337366        4.3602501944       -6.8567490198
CA         -5.0518271344        3.4689808558       -6.1132096028
HA2        -4.1383899494        3.2301758538       -6.6588312227
HA3        -4.7575106963        3.8872098260       -5.1501178359
C          -5.7807323587        2.1582101254       -5.8508728483
O          -6.2081716549        1.9394316478       -4.6980336930
OXT        -5.9177511906        1.3733656699       -6.8144501699
          138
Energy of minimum      2=     -386.4021940423 first found at step    31205
N          -5.9839262290        1.6435635088       -9.2012845661
H1         -6.4730644546        2.4834769652       -9.5111330351
H2         -5.7870755530        1.7702435657       -8.2014742831
H3         -6.6246311155        0.8658318111       -9.2776749646
CA         -4.7218621960        1.4193145604       -9.9642023162
HA2        -4.1784379434        0.5797000561       -9.5282801812
HA3        -4.9636365069        1.1618480960      -10.9965671610
C          -3.7922149356        2.6472102705       -9.9845121665
O          -2.8648193205        2.7454261989       -9.1784692017
N          -4.0745981114        3.5911823399      -10.8885005216
H          -4.8175921750        3.3886816974      -11.5491403050
CA         -3.3571988383        4.8742623897      -11.0291729080
HA         -3.0793315376        5.2183284481      -10.0337515251
CB         -2.0462240900        4.6442663333      -11.8079016146
HB2        -1.5068126574        5.5895622937      -11.8770064465
HB3        -1.4114334840        3.9743371640      -11.2271046808
CG         -2.1996507363        4.0719238951      -13.2077682696
CD1        -2.4977464747        4.9182820765      -14.2941711862
HD1        -2.6145700805        5.9806838805      -14.1340662036
CE1        -2.6369874550        4.3902199878      -15.5919338906
HE1        -2.8720066872        5.0454394689      -16.4193857583
CZ         -2.4604350971        3.0047151093      -15.8126010128
OH         -2.5889705550        2.4818058002      -17.0653490575
HH         -2.8043191540        3.1487782816      -17.7365515970
CE2        -2.1420805534        2.1579401113      -14.7268439480
HE2        -2.0021814273        1.0991562709      -14.8952964145
CD2        -2.0175467458        2.6919736208      -13.4298559179
HD2        -1.7773821008        2.0389036550      -12.6019425823
C          -4.2025163677        6.0147654347      -11.6513166409
O          -3.6919331845        7.1157966504      -11.8652126977
N          -5.4842385189        5.7634881748      -11.9507032498
H          -5.8691205256        4.8830996283      -11.6370749560
CA         -6.3677413339        6.5906275263      -12.7916484563
HA         -6.3636618296        7.6098712736      -12.4068959410
CB         -5.8148514608        6.6040352843      -14.2329817181
HB2        -5.8229430861        5.5844743092      -14.6253169858
HB3        -4.7784358725        6.9404738758      -14.2256168881
CG         -6.6063980882        7.5181494345      -15.1779239145
OD1        -7.6214007807        7.0491524404      -15.7421149450
OD2        -6.2103484143        8.6952921297      -15.3507644186
C          -7.8072601921        6.0219680491      -12.7699321383
O          -7.9469683479        4.8007616627      -12.6631802116
N          -8.8789812141        6.8300051568      -12.9082422017
CD         -8.8755384681        8.2835184642      -12.8381347644
HD2        -8.5803139155        8.7053012111      -13.7977017613
HD3        -8.2170417635        8.6386593093      -12.0496902453
CG        -10.3153855282        8.6858262237      -12.5309368249
HG2       -10.5534536714        9.6741305961      -12.9254417467
HG3       -10.4882709531        8.6457420586      -11.4542468282
CB        -11.1162085249        7.5863725128      -13.2233762447
HB2       -12.1116372112        7.4781939108      -12.7911515920
HB3       -11.1827076277        7.8032249753      -14.2912784547
CA        -10.2576278509        6.3398031415      -12.9893782362
HA        -10.5150903063        5.9189898772      -12.0161108071
C         -10.5280079085        5.2717134236      -14.0661561748
O         -11.4630126230        4.4898075177      -13.9014710602
N          -9.7137321814        5.1789344727      -15.1286400870
H          -8.9823675303        5.8799589464      -15.2543554252
CA         -9.7864262665        4.0976866725      -16.1251465360
HA        -10.8143227565        4.0402016739      -16.4869145017
CB         -8.8822045170        4.4573327614      -17.3174302500
HB2        -7.8391561815        4.4462257514      -16.9975583441
HB3        -9.1335173913        5.4654490796      -17.6502437340
CG         -9.0523164997        3.5081886913      -18.5098950920
HG2        -8.7122318947        2.5086151757      -18.2346086437
HG3       -10.1104952372        3.4476168460      -18.7724283224
CD         -8.2502383529        3.9998549340      -19.7232490584
OE1        -8.8096738387        4.7424207283      -20.5661642725
OE2        -7.0562811134        3.6378744261      -19.8558759401
C          -9.4098542627        2.7204235643      -15.5315726557
O          -9.9680785287        1.6965804399      -15.9397820683
N          -8.5174488422        2.6953705045      -14.5263498302
H          -8.1271538314        3.5859819361      -14.2411538704
CA         -8.1948702090        1.5094256830      -13.6991359623
HA         -8.2758743779        0.6250917154      -14.3320253855
CB         -6.7519598159        1.5499066978      -13.1710931533
HB         -6.5165244230        0.5758517747      -12.7392748922
CG2        -5.7177833736        1.8447987459      -14.2533107175
HG21       -5.8442082035        1.1514238819      -15.0847659927
HG22       -4.7239523012        1.7111543656      -13.8312630267
HG23       -5.8147598439        2.8690867882      -14.6132883420
OG1        -6.6054387393        2.5265464562      -12.1655462626
HG1        -7.1635243379        3.2963604656      -12.3907521097
C          -9.1905323519        1.2969632168      -12.5492919217
O          -9.0323516512        0.3720050535      -11.7508181839
N         -10.2016042310        2.1675812377      -12.4420505001
H         -10.2574231470        2.8923119630      -13.1462578187
CA        -11.2478906619        2.1854608925      -11.4131273979
HA2       -12.1940467707        2.4546134802      -11.8838412476
HA3       -11.3375861761        1.2009049838      -10.9529359139
C         -10.9885978762        3.2032827213      -10.2974851108
O         -11.9493407679        3.7714589393       -9.7743174110
N          -9.7098876759        3.4490937426       -9.9600026450
H          -9.0035432420        2.9648762557      -10.4985383958
CA         -9.2512669121        4.2834958795       -8.8298739694
HA         -9.9356482727        5.1257300616       -8.7154977173
CB         -9.2275943645        3.4951662039       -7.5045129209
HB         -8.7698015864        4.1216399610       -6.7353380845
CG2       -10.6111427252        3.0850206793       -6.9986660677
HG21      -11.2691686706        3.9539163967       -6.9784438157
HG22      -10.5265653361        2.6907631187       -5.9857446372
HG23      -11.0414548405        2.3158717129       -7.6393883250
OG1        -8.4508455954        2.3257210582       -7.6716953315
HG1        -8.4438457951        1.8344272698       -6.8274619038
C          -7.8599426470        4.8550064703       -9.0815169571
O          -7.0313410327        4.2230603966       -9.7426758184
N          -7.5772709687        6.0017238289       -8.4623778492
H          -8.3162883341        6.4071460631       -7.9059055538
CA         -6.2888207314        6.7097600537       -8.5040811461
HA         -6.0052334666        6.8552108911       -9.5457452078
CB         -6.4795445168        8.0927976564       -7.8632556098
HB2        -6.8173682508        7.9641185546       -6.8332637387
HB3        -5.5091102272        8.5896800151       -7.8197939066
CG         -7.4164516797        9.0210639414       -8.5749114738
CD1        -8.6746269739        9.3274943223       -8.1853664361
HD1        -9.1672568090        8.9299096992       -7.3048869335
NE1        -9.2280522877       10.2374091353       -9.0649567512
HE1       -10.1645260230       10.6141345350       -8.9598935984
CE2        -8.3471640377       10.5671462520      -10.0732127114
CZ2        -8.4352223392       11.4207095869      -11.1838490654
HZ2        -9.3387035903       11.9853022801      -11.3675234599
CH2        -7.3384736055       11.5233300283      -12.0564909230
HH2        -7.3911313363       12.1729778480      -12.9208904352
CZ3        -6.1716508012       10.7786562100      -11.8053421317
HZ3        -5.3288234074       10.8581223355      -12.4796694506
CE3        -6.0912230543        9.9304104102      -10.6837534586
HE3        -5.1874480343        9.3647158871      -10.5052032661
CD2        -7.1771259135        9.7983572132       -9.7897982268
C          -5.1226341521        5.9671150627       -7.8120802105
O          -3.9667466696        6.3639818662       -7.9713888000
N          -5.4060857362        4.9089794070       -7.0398201666
H          -6.3873100972        4.6717661480       -6.9512035702
CA         -4.4232319956        4.0993682578       -6.2870138801
HA2        -3.5776553836        3.8401755953       -6.9238939117
HA3        -4.0343314899        4.6739241789       -5.4455742513
C          -5.0008388298        2.8003163740       -5.7403999576
O          -5.1459553048        2.6928278186       -4.5045500881
OXT        -5.3117604291        1.9140025756       -6.5651090752
          138
Energy of minimum      3=     -385.9038493960 first found at step    31183
N          -5.3700747344        1.2262858178       -9.8100340327
H1         -5.9303693319        2.0779631322       -9.7748773730
H2         -4.9982147015        1.0814091219       -8.8638493551
H3         -5.9911652208        0.4528502764      -10.0032631918
CA         -4.2617280569        1.3289133505      -10.8029218995
HA2        -3.6247272778        0.4463009872      -10.7286092663
HA3        -4.6796646015        1.3564951441      -11.8104584472
C          -3.3862880427        2.5822902345      -10.6155501039
O          -2.3341097353        2.5236986581       -9.9760955760
N          -3.8519716545        3.7163668562      -11.1494297362
H          -4.6939235029        3.6490274374      -11.7116344142
CA         -3.2103595046        5.0405270105      -11.0285247073
HA         -2.7799902242        5.1186499610      -10.0310210574
CB         -2.0423470508        5.1368052303      -12.0311226903
HB2        -1.5582775070        6.1073405130      -11.9170291340
HB3        -1.2933567544        4.3913174971      -11.7622594599
CG         -2.4078043043        4.9478499720      -13.4945954526
CD1        -2.9232487997        6.0237836547      -14.2443542272
HD1        -3.0572795756        6.9900633405      -13.7793279379
CE1        -3.2583101673        5.8514799913      -15.6009938199
HE1        -3.6593306220        6.6804034988      -16.1678266220
CZ         -3.0616065295        4.5966646488      -16.2224715889
OH         -3.3793797577        4.4182858218      -17.5364813986
HH         -3.7342068678        5.2188340120      -17.9548778749
CE2        -2.5263106681        3.5223022594      -15.4765160181
HE2        -2.3711271870        2.5637535119      -15.9520055759
CD2        -2.2061199804        3.6992369737      -14.1167180776
HD2        -1.7999915036        2.8727207333      -13.5496504134
C          -4.1867768473        6.2368575511      -11.1638962439
O          -3.7548861758        7.3909596648      -11.1485597794
N          -5.4936712314        5.9765193961      -11.3047344113
H          -5.7903780251        5.0176676759      -11.1857835147
CA         -6.5336229591        6.9273019989      -11.7369496691
HA         -6.4844257061        7.8112192519      -11.1020672436
CB         -6.2439885094        7.3500334700      -13.1928716594
HB2        -6.2800182622        6.4657115596      -13.8329382801
HB3        -5.2367946784        7.7602722908      -13.2624128078
CG         -7.2271966797        8.4008785601      -13.7248453178
OD1        -8.3161200427        8.0031054183      -14.1979452550
OD2        -6.9067760330        9.6120190718      -13.6633621456
C          -7.9348171438        6.2768469542      -11.6285189348
O          -8.0290650943        5.0628474801      -11.8275085251
N          -9.0302639519        7.0192511537      -11.3645603786
CD         -9.0460145908        8.4062325107      -10.9244893924
HD2        -8.9457201248        9.0730453577      -11.7794549800
HD3        -8.2597049492        8.5997074865      -10.1993666188
CG        -10.4114384260        8.6186957655      -10.2765242855
HG2       -10.7410574389        9.6551457762      -10.3551248771
HG3       -10.3791130709        8.2996215179       -9.2335732930
CB        -11.3031544175        7.6733761804      -11.0770252268
HB2       -12.1973759876        7.3923425894      -10.5195428720
HB3       -11.5733248844        8.1439830217      -12.0243559377
CA        -10.3884927653        6.4703633586      -11.3260337639
HA        -10.4489201998        5.8057947970      -10.4626246199
C         -10.8358334527        5.6841516929      -12.5725887913
O         -11.6821923968        4.8021699240      -12.4365132755
N         -10.2709970523        5.9378296175      -13.7630224554
H          -9.6116372317        6.7130807453      -13.8427985658
CA        -10.5457526438        5.1427146226      -14.9737381880
HA        -11.6253686999        5.0038346423      -15.0515673508
CB        -10.0832722118        5.8886985829      -16.2371846401
HB2       -10.1997803054        5.2211946008      -17.0918626241
HB3        -9.0269049703        6.1450336860      -16.1515847337
CG        -10.9104385201        7.1531519078      -16.5068004937
HG2       -11.9715535357        6.8959780618      -16.4894830716
HG3       -10.7321814257        7.8867761225      -15.7190529921
CD        -10.5625843030        7.7586626523      -17.8752210665
OE1        -9.7232896970        8.6884536241      -17.9478519626
OE2       -11.1387387972        7.3177685981      -18.8995542711
C          -9.9143109872        3.7332720226      -14.9311006067
O         -10.4069798808        2.8222207561      -15.6047228676
N          -8.8776450036        3.5273572542      -14.1001910052
H          -8.5535570365        4.3271305349      -13.5689798023
CA         -8.3301422331        2.1987103929      -13.7375665133
HA         -8.4852328294        1.5262150956      -14.5817910330
CB         -6.8153259622        2.2447321380      -13.4805627696
HB         -6.4460320131        1.2196540283      -13.4207960798
CG2        -6.0346192251        2.9604729528      -14.5787155601
HG21       -6.2729322292        2.5218477070      -15.5476352479
HG22       -4.9708361906        2.8375222871      -14.3876894630
HG23       -6.2707169072        4.0242680202      -14.5912984354
OG1        -6.5251575751        2.8891355111      -12.2618984436
HG1        -7.1421580702        3.6387212321      -12.1506889128
C          -9.0695147304        1.5619580195      -12.5512083877
O          -8.7008296010        0.4784626259      -12.0948773070
N         -10.0962564045        2.2441226639      -12.0294845739
H         -10.3334839198        3.1227003797      -12.4722967536
CA        -10.9206289043        1.8602214291      -10.8776675379
HA2       -11.9565425368        2.1307261617      -11.0850065145
HA3       -10.8518104115        0.7850480868      -10.7089364337
C         -10.5160395463        2.5666280512       -9.5795129753
O         -11.3927401557        2.8778167539       -8.7707403289
N          -9.2111931075        2.8380347284       -9.3974925478
H          -8.5913164197        2.5864655852      -10.1563572571
CA         -8.5946446023        3.3802750705       -8.1687029392
HA         -9.2817547590        4.0987233723       -7.7187240012
CB         -8.3023564861        2.2742045304       -7.1341508827
HB         -7.7411794663        2.7127211398       -6.3056360543
CG2        -9.5536359009        1.6218992432       -6.5451540847
HG21      -10.2351122371        2.3915898971       -6.1824621895
HG22       -9.2718499235        0.9852946142       -5.7061474276
HG23      -10.0570690483        1.0115609043       -7.2943454602
OG1        -7.5190113440        1.2657165768       -7.7408855535
HG1        -7.3396107098        0.5708664049       -7.0782199894
C          -7.2939077963        4.1168122432       -8.4717412426
O          -6.5749688485        3.7607303843       -9.4095045466
N          -6.9459425831        5.0711764381       -7.6078509676
H          -7.5874811685        5.2461590595       -6.8475979864
CA         -5.7079242101        5.8640531866       -7.6521729057
HA         -5.6166761892        6.3117077019       -8.6410354688
CB         -5.8263640499        6.9988111566       -6.6235957921
HB2        -5.9835585846        6.5669551715       -5.6334707633
HB3        -4.8761695846        7.5340363496       -6.5893823138
CG         -6.8927908756        8.0172332876       -6.8908012321
CD1        -8.0746209437        8.1149765034       -6.2408982089
HD1        -8.4025059864        7.4563861636       -5.4441905348
NE1        -8.7890897479        9.1916966062       -6.7288652320
HE1        -9.7031263070        9.4582452937       -6.3775533310
CE2        -8.0979082278        9.8484545619       -7.7249615376
CZ2        -8.3911845415       10.9677075054       -8.5193793082
HZ2        -9.3257077995       11.4963799982       -8.3931016170
CH2        -7.4591548017       11.3843871847       -9.4850869040
HH2        -7.6713949593       12.2426168770      -10.1099092104
CZ3        -6.2495131783       10.6829218757       -9.6393718062
HZ3        -5.5337701621       11.0048612197      -10.3846631937
CE3        -5.9620444513        9.5651995490       -8.8319009138
HE3        -5.0280592954        9.0369347569       -8.9633731337
CD2        -6.8791149630        9.1151729770       -7.8560747080
C          -4.4149209238        5.0555992291       -7.3958714439
O          -3.3184380927        5.5744657000       -7.6137276928
N          -4.5238403204        3.8046486390       -6.9272131166
H          -5.4661017764        3.4725644284       -6.7575437213
CA         -3.3981533338        2.9003419209       -6.6058980628
HA2        -2.6700318360        2.8978644039       -7.4168753604
HA3        -2.8858770266        3.2481256538       -5.7081259643
C          -3.8280244312        1.4581100462       -6.3710028478
O          -4.2344880373        0.8080259692       -7.3581980556
OXT        -3.7657919893        1.0056924230       -5.2085095480
          138
Energy of minimum      4=     -385.5200267211 first found at step    31190
N          -5.7058814029        1.7723544836       -8.9988158296
H1         -6.2269018230        2.5929376558       -9.3096389700
H2         -5.4822817290        1.9179615682       -8.0073906261
H3         -6.3312627349        0.9800048666       -9.0437226282
CA         -4.4635398502        1.5622064987       -9.7978857114
HA2        -3.8931498779        0.7365649612       -9.3698091046
HA3        -4.7314976540        1.2885175405      -10.8194935647
C          -3.5541594766        2.8040477135       -9.8596156206
O          -2.5925904262        2.9121193392       -9.0959928462
N          -3.8878687412        3.7456973536      -10.7484083715
H          -4.6574804454        3.5353259545      -11.3752523006
CA         -3.1827510025        5.0342178252      -10.9149289924
HA         -2.8111081400        5.3494408198       -9.9402638910
CB         -1.9547951212        4.8263974945      -11.8229927828
HB2        -1.3842176274        5.7553800522      -11.8545677246
HB3        -1.3030798770        4.0807813650      -11.3660942939
CG         -2.2594737364        4.3993701205      -13.2497724432
CD1        -2.5479648493        5.3657920280      -14.2337725001
HD1        -2.5440190884        6.4157006518      -13.9765251885
CE1        -2.8417919459        4.9735150026      -15.5537005397
HE1        -3.0725756326        5.7202453415      -16.3008702092
CZ         -2.8314794330        3.6029084040      -15.9012918025
OH         -3.1131689257        3.2108972765      -17.1762994316
HH         -3.3090101624        3.9549313601      -17.7670775855
CE2        -2.5229990029        2.6341128960      -14.9197007448
HE2        -2.5105324791        1.5862556300      -15.1856026986
CD2        -2.2431740270        3.0338426548      -13.5987948014
HD2        -2.0131980102        2.2882988332      -12.8499464478
C          -4.0702721083        6.1946853140      -11.4311639868
O          -3.5925267828        7.3210008472      -11.5791138833
N          -5.3531012634        5.9316760458      -11.7153466024
H          -5.7079053937        5.0216518196      -11.4554412440
CA         -6.2838804688        6.7752589567      -12.4852370926
HA         -6.3348879480        7.7587672409      -12.0202183241
CB         -5.7503612337        6.9355052792      -13.9253103078
HB2        -5.6586851140        5.9466886305      -14.3775448848
HB3        -4.7518454481        7.3710188301      -13.8961273282
CG         -6.6336905516        7.8239964010      -14.8160715992
OD1        -7.6496741234        7.3186987338      -15.3484068361
OD2        -6.3099159966        9.0260161148      -14.9715872232
C          -7.6842516840        6.1180792056      -12.4921288045
O          -7.7471780806        4.8853090698      -12.4559336274
N          -8.8028829702        6.8679587604      -12.5716568480
CD         -8.8813989299        8.3125307266      -12.4145743263
HD2        -8.6175107076        8.8099482733      -13.3462821277
HD3        -8.2397576775        8.6555804729      -11.6074448372
CG        -10.3393639537        8.6129312079      -12.0777075810
HG2       -10.6360257839        9.6077152312      -12.4115530958
HG3       -10.5010556504        8.4996981198      -11.0043985802
CB        -11.0817758758        7.5127622567      -12.8313925957
HB2       -12.0662269457        7.3225908166      -12.4022851414
HB3       -11.1681332745        7.7875144946      -13.8844114661
CA        -10.1520682730        6.3055330921      -12.6761748250
HA        -10.3745500557        5.8244934029      -11.7224534415
C         -10.3839135023        5.2713202348      -13.7946583544
O         -11.3162210491        4.4799825360      -13.6630561757
N          -9.5468966289        5.2027023789      -14.8411856119
H          -8.8183828204        5.9110355154      -14.9394999580
CA         -9.6041238040        4.1169574744      -15.8382868247
HA        -10.6335712939        4.0661601772      -16.1965414138
CB         -8.7254107820        4.4384945667      -17.0632337617
HB2        -8.9067331347        5.4698988449      -17.3683140820
HB3        -9.0495948668        3.7945962257      -17.8814197205
CG         -7.2156830912        4.2287117690      -16.8660614348
HG2        -6.8725597680        4.8152194167      -16.0152528389
HG3        -7.0170973343        3.1781322485      -16.6483284488
CD         -6.4381909240        4.6214958634      -18.1330344697
OE1        -6.5083989258        3.8793318941      -19.1430934790
OE2        -5.7429139102        5.6656101427      -18.1382555094
C          -9.2591971096        2.7307400376      -15.2463647113
O          -9.7390883992        1.7044414027      -15.7392333156
N          -8.4720028122        2.6996980933      -14.1569384608
H          -8.1422869723        3.5918594558      -13.8073798518
CA         -8.1782064682        1.5064300836      -13.3316975279
HA         -8.2939700284        0.6198492302      -13.9559174646
CB         -6.7289840282        1.5123407914      -12.8211330825
HB         -6.5253716202        0.5492901524      -12.3502636650
CG2        -5.7034454144        1.7150810515      -13.9316081828
HG21       -5.8909016413        1.0109034128      -14.7422698314
HG22       -4.7102311732        1.5284743185      -13.5271150706
HG23       -5.7470821317        2.7344493208      -14.3157602718
OG1        -6.5284881302        2.5282363809      -11.8630259766
HG1        -7.0230329488        3.3251198422      -12.1327653165
C          -9.1615831898        1.3345261483      -12.1658325819
O          -9.0059432048        0.4266330765      -11.3475200419
N         -10.1546064497        2.2261501774      -12.0626133902
H         -10.2098637733        2.9343182982      -12.7835175891
CA        -11.1763084752        2.2885545851      -11.0108026970
HA2       -12.1183179503        2.6055376601      -11.4596912261
HA3       -11.3031181140        1.3054332116      -10.5561809562
C         -10.8486077972        3.2819096280       -9.8901945597
O         -11.7778823006        3.8564552463       -9.3193164724
N          -9.5533178993        3.5040038565       -9.6032878088
H          -8.8775502864        3.0173545693      -10.1776747806
CA         -9.0417769947        4.3155081593       -8.4788215204
HA         -9.7302361137        5.1442144244       -8.3050044569
CB         -8.9415007238        3.4936569769       -7.1780798911
HB         -8.4522083460        4.1051476654       -6.4162644606
CG2       -10.2960568095        3.0567938009       -6.6183452599
HG21      -10.9572037651        3.9197130458       -6.5366438290
HG22      -10.1593442078        2.6297279637       -5.6245931249
HG23      -10.7536787184        2.3067517070       -7.2628695458
OG1        -8.1638465343        2.3365855513       -7.4135067066
HG1        -8.1121247846        1.8239391947       -6.5836312642
C          -7.6747783160        4.9184287586       -8.7862084427
O          -6.8646689279        4.3155892792       -9.4956975946
N          -7.3896641385        6.0637368031       -8.1655824664
H          -8.1100248624        6.4436853353       -7.5681757288
CA         -6.1267981966        6.8105240280       -8.2681465023
HA         -5.9058284529        6.9784724379       -9.3213456594
CB         -6.3219696656        8.1788309898       -7.5977947253
HB2        -6.5963863915        8.0275538905       -6.5521479171
HB3        -5.3661695956        8.7051331639       -7.6033420502
CG         -7.3273454452        9.0833369285       -8.2433675132
CD1        -8.5805186255        9.3224809286       -7.7950181930
HD1        -9.0171260249        8.8829866354       -6.9049689761
NE1        -9.2126126777       10.2222248198       -8.6309737582
HE1       -10.1604344858       10.5517166643       -8.4792138714
CE2        -8.3919073627       10.6126646060       -9.6679261754
CZ2        -8.5668453999       11.4825613026      -10.7553608458
HZ2        -9.5025509411       12.0073417771      -10.8889510693
CH2        -7.5143922061       11.6537192102      -11.6707513619
HH2        -7.6340327637       12.3167198529      -12.5181644363
CZ3        -6.3046762968       10.9601377486      -11.4846802936
HZ3        -5.4962319479       11.0921923021      -12.1920417830
CE3        -6.1371307532       10.0949789894      -10.3858720651
HE3        -5.2012971428        9.5691041015      -10.2574051860
CD2        -7.1764850161        9.8945235040       -9.4502763525
C          -4.9038826183        6.0942645423       -7.6520799454
O          -3.7681693693        6.5081141611       -7.8925841402
N          -5.1167659702        5.0381065370       -6.8548394622
H          -6.0856696194        4.7860799939       -6.6978916422
CA         -4.0725843482        4.2546136806       -6.1591246701
HA2        -3.2580171545        4.0156277551       -6.8424340983
HA3        -3.6514085205        4.8402865817       -5.3412015349
C          -4.5857227666        2.9425478285       -5.5803275656
O          -4.6205936012        2.8187128320       -4.3380054269
OXT        -4.9574478819        2.0622339154       -6.3860516883
          138
Energy of minimum      5=     -384.1471098148 first found at step    31163
N          -4.9624773946        1.6727436768       -9.8483064726
H1         -5.4614314314        2.5608117554       -9.9029239684
H2         -4.4719421726        1.6778907835       -8.9458371832
H3         -5.6530610238        0.9361247197       -9.8064826258
CA         -4.0024157032        1.4977954678      -10.9758405149
HA2        -3.4838058483        0.5443720505      -10.8645329670
HA3        -4.5497827303        1.4747637345      -11.9197713415
C          -2.9468660208        2.6163496664      -11.0541254696
O          -1.8431426502        2.4725205143      -10.5244820492
N          -3.3144086209        3.7404502111      -11.6780877078
H          -4.2192874834        3.7376804056      -12.1370846409
CA         -2.4768965461        4.9529238079      -11.7950304605
HA         -1.8949738194        5.0555579749      -10.8778883382
CB         -1.4786340832        4.7725366709      -12.9558727880
HB2        -0.8565669885        5.6652417785      -13.0295473864
HB3        -0.8054557837        3.9517802492      -12.7060055309
CG         -2.0927988079        4.4975919101      -14.3195756387
CD1        -2.6212933638        5.5526465365      -15.0896456207
HD1        -2.5913768258        6.5650516609      -14.7124615342
CE1        -3.1866827128        5.2987406108      -16.3538814856
HE1        -3.5967673376        6.1128171806      -16.9355753738
CZ         -3.2105237316        3.9802206878      -16.8642003083
OH         -3.7530734004        3.7221448958      -18.0882959482
HH         -4.0952058339        4.5163853701      -18.5287242775
CE2        -2.6629997218        2.9242458957      -16.1010616487
HE2        -2.6766745285        1.9163767338      -16.4922708919
CD2        -2.1112774280        3.1846198894      -14.8319334825
HD2        -1.6973999300        2.3719061771      -14.2505597172
C          -3.2792893623        6.2700902044      -11.9290155584
O          -2.6955318972        7.3462989630      -12.0694377007
N          -4.6162859665        6.1962711292      -11.8782701142
H          -5.0220433511        5.3018968010      -11.6394472419
CA         -5.5729624410        7.2783935550      -12.1569108147
HA         -5.2948723726        8.1532060322      -11.5695914281
CB         -5.5063840236        7.6499653031      -13.6517546763
HB2        -5.7741374477        6.7769603919      -14.2504987464
HB3        -4.4853278740        7.9267331390      -13.9166408594
CG         -6.4391745198        8.8159659792      -14.0062230134
OD1        -7.6448973999        8.5614048351      -14.2293917131
OD2        -5.9654155599        9.9770347882      -14.0369427536
C          -6.9943106995        6.8082199051      -11.7744942009
O          -7.2790920168        5.6242809135      -11.9659949302
N          -7.9043177583        7.6659070977      -11.2702920047
CD         -7.6654483502        9.0367861532      -10.8445457643
HD2        -7.6713042394        9.6996687285      -11.7094216736
HD3        -6.7265625629        9.1345525067      -10.2989353565
CG         -8.8308299658        9.3931399761       -9.9256990377
HG2        -9.0467677652       10.4619518360       -9.9398856533
HG3        -8.6181895127        9.0539683750       -8.9103476953
CB         -9.9744578579        8.5725626138      -10.5159162194
HB2       -10.7591001996        8.3861838170       -9.7817091867
HB3       -10.3797483221        9.0883209821      -11.3886067224
CA         -9.2791321184        7.2769268484      -10.9445199038
HA         -9.2323043018        6.6114579816      -10.0809166388
C         -10.0646755545        6.5573490066      -12.0589317082
O         -10.9623444531        5.7813089081      -11.7353823877
N          -9.7303166857        6.7476974587      -13.3444263876
H          -9.0152943130        7.4396723355      -13.5725660124
CA        -10.3425874024        6.0027644416      -14.4598809320
HA        -11.4239636424        6.0037753032      -14.3132020967
CB        -10.0592877618        6.6985996471      -15.8025405669
HB2       -10.4330968118        6.0620788754      -16.6054375578
HB3        -8.9840889997        6.8169969343      -15.9396858556
CG        -10.7564100284        8.0614082947      -15.9152767387
HG2       -11.8150840178        7.9416586216      -15.6759663770
HG3       -10.3277286914        8.7572633708      -15.1924032289
CD        -10.6239034935        8.6331874882      -17.3350408836
OE1        -9.7059184087        9.4485972023      -17.5931667531
OE2       -11.4504066841        8.2816470966      -18.2119098219
C          -9.9039672151        4.5215635158      -14.5288995090
O         -10.6226847469        3.7022995150      -15.1109266610
N          -8.7776018072        4.1580293194      -13.8912225725
H          -8.2627703905        4.8931653510      -13.4207129760
CA         -8.3507294388        2.7581502500      -13.6531602153
HA         -8.6638023855        2.1616802620      -14.5104865973
CB         -6.8212528549        2.6189872226      -13.5511083600
HB         -6.5723321628        1.5568421302      -13.5817961747
CG2        -6.0735216916        3.3066553118      -14.6900698457
HG21       -6.2077189963        4.3868389531      -14.6460394686
HG22       -6.4356880608        2.9333072918      -15.6479075952
HG23       -5.0132681638        3.0802647929      -14.6008466078
OG1        -6.3313375688        3.1459406982      -12.3388411400
HG1        -6.7487756746        4.0166224906      -12.1871230330
C          -9.0382217385        2.1304003500      -12.4316037809
O          -8.7799674391        0.9727290857      -12.0980906498
N          -9.8972291123        2.8956859727      -11.7473618260
H         -10.0535932796        3.8324275172      -12.0971100915
CA        -10.6075132982        2.5425187917      -10.5117967502
HA2       -11.6477633273        2.8559772877      -10.6058703189
HA3       -10.5646180506        1.4662197129      -10.3421986379
C         -10.0305251969        3.2429724558       -9.2770757413
O         -10.7951573675        3.6151980653       -8.3846961696
N          -8.7036831512        3.4629402657       -9.2542372222
H          -8.1858488272        3.1628046409      -10.0698204544
CA         -7.9334355606        4.0844225152       -8.1578301131
HA         -8.5473838569        4.8595033553       -7.6964404892
CB         -7.5426497939        3.0689271416       -7.0658451402
HB         -6.8345931694        3.5467192591       -6.3842867506
CG2        -8.7273358541        2.5809804544       -6.2315626815
HG21       -9.2940624640        3.4346868924       -5.8593987677
HG22       -8.3614222076        2.0094816494       -5.3783090292
HG23       -9.3784801494        1.9428871277       -6.8282210036
OG1        -6.9279875608        1.9436924663       -7.6615353226
HG1        -6.6902390621        1.3112727160       -6.9559652759
C          -6.6716484303        4.7540985595       -8.6898712791
O          -6.0461642590        4.2611928563       -9.6326761552
N          -6.2663672314        5.8433794755       -8.0361041578
H          -6.8277276839        6.1298347031       -7.2468050289
CA         -5.0856954095        6.6563513337       -8.3626557638
HA         -5.1486398500        6.9479899130       -9.4083494657
CB         -5.1466759294        7.9371206721       -7.5170083831
HB2        -4.2778886942        8.5555503450       -7.7489800570
HB3        -6.0290855357        8.5060118276       -7.8138655789
CG         -5.2048444040        7.7238174427       -6.0329235168
CD1        -4.1365646101        7.5617504400       -5.2198044885
HD1        -3.1014333303        7.5811958037       -5.5431136368
NE1        -4.5633262440        7.3546446617       -3.9225437700
HE1        -3.9286541408        7.2071775350       -3.1443594239
CE2        -5.9391360582        7.3742060069       -3.8329030138
CZ2        -6.8339223605        7.2112095933       -2.7639655113
HZ2        -6.4625025178        7.0375099069       -1.7634878980
CH2        -8.2156929208        7.2685249443       -3.0136004866
HH2        -8.9200642496        7.1418081935       -2.2011093308
CZ3        -8.6822972395        7.4923109851       -4.3217635061
HZ3        -9.7471625588        7.5399848411       -4.5104645465
CE3        -7.7754862864        7.6617300126       -5.3861608940
HE3        -8.1525678783        7.8448338527       -6.3826297743
CD2        -6.3803104225        7.6034760014       -5.1719885295
C          -3.7306446135        5.9317781246       -8.1862154724
O          -2.7068529924        6.4231127446       -8.6651720115
N          -3.7118329338        4.7673146409       -7.5228510494
H          -4.5988754233        4.4547936706       -7.1454778347
CA         -2.5239038697        3.9172823559       -7.2928257036
HA2        -1.9629319618        3.7912336249       -8.2185859027
HA3        -1.8616417786        4.3930793550       -6.5689252962
C          -2.8669511224        2.5259632054       -6.7728791448
O          -3.5426388350        1.7786615963       -7.5135919317
OXT        -2.4639618093        2.2064995275       -5.6344941011
          138
Energy of minimum      6=     -383.9424745069 first found at step    31198
N          -5.7461429004        1.8305421371       -8.8825687817
H1         -6.2203621813        2.6888787957       -9.1596837693
H2         -5.4601443628        1.9691365398       -7.9061055084
H3         -6.4258756407        1.0818529035       -8.8980700982
CA         -4.5623249971        1.5484945371       -9.7446527959
HA2        -4.0063144668        0.7058543705       -9.3310777508
HA3        -4.8995536550        1.2665272609      -10.7421381737
C          -3.6024240573        2.7462779657       -9.8854733955
O          -2.6509788494        2.8838059977       -9.1139474313
N          -3.8903403807        3.6255790563      -10.8508501380
H          -4.6555907153        3.3908466354      -11.4743757815
CA         -3.1599583582        4.8816830592      -11.1082322527
HA         -2.7442902665        5.2412192517      -10.1670715336
CB         -1.9810987301        4.5903707616      -12.0550859981
HB2        -1.3577295328        5.4834590406      -12.1138701844
HB3        -1.3608133095        3.8072140883      -11.6171429716
CG         -2.3682453886        4.1786667454      -13.4667801748
CD1        -2.5398874791        5.1560877345      -14.4671009936
HD1        -2.3955015660        6.2013982651      -14.2309260937
CE1        -2.9065580319        4.7818715684      -15.7739830173
HE1        -3.0469561532        5.5383406412      -16.5336432894
CZ         -3.0878957754        3.4160891158      -16.0921706934
OH         -3.4368600607        3.0400860950      -17.3551497790
HH         -3.5433950717        3.7922118062      -17.9582743077
CE2        -2.8968139703        2.4335565367      -15.0944916913
HE2        -3.0229795809        1.3891002150      -15.3411961241
CD2        -2.5429884063        2.8170749143      -13.7865927912
HD2        -2.4048122498        2.0620517171      -13.0250053041
C          -4.0438134935        6.0258526940      -11.6650916869
O          -3.5598449652        7.1402801872      -11.8713494725
N          -5.3338730121        5.7620765597      -11.9135929245
H          -5.6910585708        4.8675413015      -11.6073152611
CA         -6.2810979699        6.5666871828      -12.7005491066
HA         -6.3178023595        7.5757083631      -12.2930516338
CB         -5.7847130874        6.6350011935      -14.1609979841
HB2        -5.7153150538        5.6198657756      -14.5551461465
HB3        -4.7802565441        7.0582732897      -14.1820430553
CG         -6.6793207346        7.4779326320      -15.0834237275
OD1        -7.7098987451        6.9507820116      -15.5638131809
OD2        -6.3473936363        8.6643574109      -15.3201478378
C          -7.6816009685        5.9116225176      -12.6182065822
O          -7.7461228307        4.6904167312      -12.4566995001
N          -8.8032733354        6.6486362155      -12.7483689337
CD         -8.8915379288        8.1000886537      -12.6924849340
HD2        -8.6324809742        8.5346992511      -13.6560475590
HD3        -8.2496859672        8.5012816374      -11.9116517706
CG        -10.3510355867        8.4133952814      -12.3745427889
HG2       -10.6547317689        9.3804336515      -12.7766916953
HG3       -10.5098831323        8.3752567977      -11.2954398385
CB        -11.0869586687        7.2582126312      -13.0480103432
HB2       -12.0693613765        7.0915509512      -12.6047185965
HB3       -11.1766925838        7.4572668563      -14.1176026290
CA        -10.1486939435        6.0711299873      -12.8106390289
HA        -10.3667363911        5.6599921024      -11.8243020046
C         -10.3687647753        4.9513126404      -13.8489467426
O         -11.2841821684        4.1531368531      -13.6548893855
N          -9.5380757050        4.8264035593      -14.8953110897
H          -8.8245169927        5.5401599263      -15.0486725084
CA         -9.5824780267        3.6781841065      -15.8209148787
HA        -10.6249860756        3.5507735820      -16.1168759803
CB         -8.7967961491        3.9744126943      -17.1133299431
HB2        -9.0403800973        4.9818601007      -17.4533968564
HB3        -9.1448917595        3.2797598837      -17.8784726899
CG         -7.2707068879        3.8333734275      -17.0074142215
HG2        -6.8983438407        4.4686674507      -16.2055670180
HG3        -7.0152767852        2.8017620377      -16.7618763269
CD         -6.5957354680        4.2031332832      -18.3387006433
OE1        -6.7147696054        3.4256492093      -19.3172933829
OE2        -5.9356224289        5.2663132303      -18.4280227023
C          -9.1333792940        2.3453484722      -15.1756010761
O          -9.5118364362        1.2687178425      -15.6490360535
N          -8.3694900235        2.4112101603      -14.0712354484
H          -8.1259460191        3.3374554111      -13.7401588616
CA         -8.0405017467        1.2980575373      -13.1552780079
HA         -8.4106894003        0.3681565737      -13.5869990109
CB         -6.5223973674        1.1397443545      -12.9701093521
HB         -6.3334029031        0.4044560291      -12.1866510920
CG2        -5.8502342914        0.6360786333      -14.2451474061
HG21       -6.3184031877       -0.2947664642      -14.5652740926
HG22       -4.7981549345        0.4421738006      -14.0402983365
HG23       -5.9354187741        1.3734958360      -15.0428663266
OG1        -5.9210878857        2.3657571407      -12.6110276188
HG1        -5.9477617849        2.9489645932      -13.3880163392
C          -8.7873565792        1.4499277017      -11.8224839053
O          -8.3055084625        1.0461272867      -10.7628157190
N          -9.9815362734        2.0518850123      -11.8801472354
H         -10.3016179532        2.3458274463      -12.7941515499
CA        -10.9340767566        2.2250284380      -10.7762001897
HA2       -11.9348756008        2.3557910995      -11.1893520989
HA3       -10.9164999683        1.3366931106      -10.1434833737
C         -10.6379711196        3.4289007696       -9.8791813959
O         -11.5677656834        4.1375852156       -9.4882798918
N          -9.3503906771        3.6568295677       -9.5635830492
H          -8.6691809066        3.0426176075       -9.9903226718
CA         -8.8596076385        4.6137021837       -8.5543572402
HA         -9.5228310881        5.4800744203       -8.5326407457
CB         -8.8297078173        3.9846547599       -7.1477761358
HB         -8.3738586515        4.6964135849       -6.4554705987
CG2       -10.2133275469        3.6277150332       -6.6020573732
HG21      -10.8718692912        4.4937204282       -6.6720162088
HG22      -10.1284896224        3.3403227545       -5.5537909390
HG23      -10.6440939744        2.7967637315       -7.1601678310
OG1        -8.0449504838        2.8087775555       -7.1883529589
HG1        -8.0210558742        2.4189917117       -6.2929504186
C          -7.4601655856        5.1107515752       -8.8938753507
O          -6.6749095210        4.3995426671       -9.5268226765
N          -7.1196752782        6.2919413987       -8.3771025139
H          -7.8263517296        6.7660313530       -7.8330231280
CA         -5.8181966475        6.9590881779       -8.5223246575
HA         -5.5835226091        7.0315893501       -9.5827079309
CB         -5.9497044981        8.3860427805       -7.9691128733
HB2        -6.1714877815        8.3330474040       -6.9015886128
HB3        -4.9857564453        8.8867555687       -8.0721736807
CG         -6.9783757559        9.2475678241       -8.6388552458
CD1        -8.1908739453        9.5669266385       -8.1323889843
HD1        -8.5685500323        9.2406463613       -7.1695656846
NE1        -8.8696092791       10.3786185492       -9.0202956552
HE1        -9.7989504385       10.7449097699       -8.8409531741
CE2        -8.1225161406       10.6265719810      -10.1523918058
CZ2        -8.3646018120       11.3685659545      -11.3188725013
HZ2        -9.2995750160       11.8964180513      -11.4452940773
CH2        -7.3807374590       11.4073204178      -12.3215696530
HH2        -7.5530207247       11.9700080916      -13.2302188877
CZ3        -6.1712881175       10.7112494912      -12.1432221739
HZ3        -5.4160421400       10.7407204423      -12.9178473940
CE3        -5.9356540625        9.9754544891      -10.9654985146
HE3        -5.0007620518        9.4466422877      -10.8436516958
CD2        -6.9054014800        9.9096357707       -9.9402976243
C          -4.6398140338        6.2274738132       -7.8393000232
O          -3.4819868358        6.5690875151       -8.0876840342
N          -4.9149876303        5.2364888996       -6.9798758935
H          -5.8971262017        5.0426524443       -6.8225369815
CA         -3.9211749991        4.4379580157       -6.2294999283
HA2        -3.1166296175        4.1156574161       -6.8901184560
HA3        -3.4735084669        5.0453405741       -5.4421239757
C          -4.5100643982        3.1908841502       -5.5816524719
O          -4.6343702550        3.1754446213       -4.3389317680
OXT        -4.8505476584        2.2519374325       -6.3336681641
          138
Energy of minimum      7=     -383.6531758269 first found at step    16829
N          62.0684301011      -15.7528663742      -36.1079491531
H1         62.5678500576      -15.4925254053      -36.9663817136
H2         61.0806897758      -15.5670434343      -36.2710054423
H3         62.1545455141      -16.7641789710      -35.9668711639
CA         62.6038075828      -15.0065960729      -34.9333956367
HA2        63.4461581938      -15.5516906176      -34.5053515270
HA3        62.9720805996      -14.0359440080      -35.2682118227
C          61.5596812290      -14.7505949431      -33.8343212049
O          61.3722428150      -15.5601658792      -32.9238949328
N          60.8539425780      -13.6220633837      -33.9622584862
H          61.1265721726      -12.9903934127      -34.7080183431
CA         59.6982201244      -13.2051184803      -33.1549925501
HA         59.2212108207      -14.0870295617      -32.7317323236
CB         60.2236040061      -12.3359318436      -31.9916264349
HB2        60.9527528965      -12.9197294495      -31.4295448249
HB3        60.7550477783      -11.4829957889      -32.4166883845
CG         59.1838699094      -11.8286070740      -31.0038620194
CD1        59.1302539330      -10.4570307250      -30.6854940190
HD1        59.8634046058       -9.7758946169      -31.0965166228
CE1        58.1284102873       -9.9627703632      -29.8284983005
HE1        58.0982635693       -8.9100522013      -29.5827806602
CZ         57.1582829316      -10.8428771811      -29.2958132293
OH         56.1791463842      -10.3752573616      -28.4702973408
HH         56.2413952990       -9.4206177044      -28.3074356173
CE2        57.1995050034      -12.2153686835      -29.6301988349
HE2        56.4567502332      -12.8890164337      -29.2262627645
CD2        58.2125655001      -12.7039524017      -30.4774725740
HD2        58.2384189603      -13.7572462215      -30.7175464730
C          58.6496478756      -12.5018223440      -34.0544608497
O          58.8237582667      -12.4625389568      -35.2738290612
N          57.6001469404      -11.9041670337      -33.4739953532
H          57.5858190926      -11.8719377420      -32.4638781104
CA         56.4945553332      -11.2315003951      -34.1716626407
HA         55.8914467501      -12.0103545333      -34.6285180429
CB         55.5929595195      -10.5543474418      -33.1275278614
HB2        56.1794720113       -9.8720256032      -32.5127251854
HB3        55.1941769068      -11.3225180323      -32.4615131511
CG         54.4266491057       -9.7906337423      -33.7747792179
OD1        54.5272335227       -8.5478666199      -33.9101492927
OD2        53.4160205452      -10.4344977632      -34.1425106948
C          56.8948503803      -10.2772872877      -35.3288402237
O          56.2315042689      -10.3536282868      -36.3682559383
N          57.9661358651       -9.4522285615      -35.2331926550
CD         58.6597592094       -9.0810220367      -34.0089703663
HD2        59.4156303527       -9.8306056850      -33.7760602975
HD3        57.9783219959       -8.9563911908      -33.1705325214
CG         59.3465188063       -7.7516799037      -34.3099561026
HG2        60.2485360960       -7.6165972762      -33.7121091317
HG3        58.6474799966       -6.9294282630      -34.1480973222
CB         59.6620442000       -7.8769661653      -35.7980204034
HB2        59.7825175845       -6.9005874878      -36.2687467407
HB3        60.5644860348       -8.4781863266      -35.9261768607
CA         58.4409564729       -8.6229351915      -36.3442126899
HA         57.6619568140       -7.9007814613      -36.5928293449
C          58.8415746076       -9.3929278090      -37.6169182156
O          58.8667983743       -8.8055085253      -38.6972117848
N          59.1944113780      -10.6831779295      -37.5106835836
H          59.2093555389      -11.1177207140      -36.5870585772
CA         59.6637866320      -11.5186131057      -38.6282380377
HA         59.7716841918      -10.9097190797      -39.5266560494
CB         61.0564669790      -12.0729442180      -38.2680374066
HB2        60.9678361299      -12.7414135360      -37.4106100186
HB3        61.7035588773      -11.2422840892      -37.9820509895
CG         61.7254890268      -12.8239781322      -39.4276938412
HG2        61.0641389200      -13.6091636734      -39.7944820007
HG3        61.9036480424      -12.1262601943      -40.2484082288
CD         63.0493148506      -13.4606628670      -38.9810992994
OE1        64.1305134482      -12.8934809089      -39.2673153952
OE2        63.0136820628      -14.5355949199      -38.3326379678
C          58.6845982404      -12.6674683314      -38.9472819113
O          58.2471855469      -12.8107925275      -40.0938560736
N          58.3456510319      -13.4962070789      -37.9443886480
H          58.7331312812      -13.2889742694      -37.0312789766
CA         57.6349324772      -14.7850819929      -38.0760682745
HA         57.4827674435      -14.9933392109      -39.1354513791
CB         58.5003463778      -15.9233488156      -37.4973878074
HB         57.8801572726      -16.7819678993      -37.2332509426
CG2        59.5244632403      -16.3882383075      -38.5300600630
HG21       59.0093886166      -16.7524790565      -39.4193026401
HG22       60.1157160886      -17.2049309445      -38.1160053089
HG23       60.1805702773      -15.5657240193      -38.8093240510
OG1        59.2305359332      -15.4926969437      -36.3613045343
HG1        58.6467051485      -15.5600281508      -35.5787017906
C          56.2244730526      -14.7935032499      -37.4754271506
O          55.5698851738      -15.8372124513      -37.4931714332
N          55.7507735618      -13.6627964363      -36.9379760371
H          56.3551508248      -12.8517749679      -36.9730563003
CA         54.3987480294      -13.5090496726      -36.3634537789
HA2        54.1591358383      -12.4471606584      -36.2999514526
HA3        53.6759988603      -14.0012988158      -37.0154927744
C          54.2265979612      -14.1098187812      -34.9576570368
O          53.1422162041      -14.0082177217      -34.3802932085
N          55.3044614038      -14.6991466701      -34.4096421759
H          56.1559549492      -14.6713144306      -34.9551638505
CA         55.4333580115      -15.4146626707      -33.1266643323
HA         55.2196463850      -14.7166168210      -32.3173236761
CB         54.4176287911      -16.5704832402      -33.0198321777
HB         53.4203164566      -16.1924577391      -33.2485968863
CG2        54.7170528152      -17.7332768322      -33.9718522186
HG21       54.7494738031      -17.3726575362      -34.9997625308
HG22       53.9293716544      -18.4826862437      -33.8932944955
HG23       55.6721814339      -18.1954393442      -33.7246344732
OG1        54.3987115686      -17.0466761711      -31.6891347371
HG1        53.6508855580      -17.6667399420      -31.5878246797
C          56.8897552466      -15.8696122045      -32.9660811711
O          57.6811503919      -15.7042340172      -33.8985034435
N          57.2388789203      -16.4188012646      -31.8021648296
H          56.4989494531      -16.5540916288      -31.1280905229
CA         58.5617613990      -16.9825152043      -31.5201694883
HA         59.3063563821      -16.2060222734      -31.6860602327
CB         58.6440875401      -17.4042454828      -30.0465310639
HB2        57.8538428340      -18.1284394649      -29.8405024040
HB3        59.5958502274      -17.9147615787      -29.8916938357
CG         58.5644904631      -16.2916761488      -29.0449610931
CD1        57.5139031300      -16.0355853480      -28.2329674090
HD1        56.5926180250      -16.6072690013      -28.2105843789
NE1        57.7943548759      -14.9430215026      -27.4357505443
HE1        57.1466594544      -14.5756522431      -26.7465927925
CE2        59.0503628313      -14.4363835566      -27.6946574079
CZ2        59.7778230835      -13.3579174688      -27.1678270550
HZ2        59.3506880184      -12.7402648201      -26.3903400525
CH2        61.0603675824      -13.0856154489      -27.6736172979
HH2        61.6325157219      -12.2536841663      -27.2832286739
CZ3        61.5982385802      -13.8947080424      -28.6910425938
HZ3        62.5854972698      -13.6821731313      -29.0800658051
CE3        60.8624780415      -14.9789963186      -29.2076914829
HE3        61.2893720443      -15.5896110375      -29.9908513039
CD2        59.5679243674      -15.2770664607      -28.7270003158
C          58.8979345672      -18.1723596640      -32.4428610391
O          58.0994610676      -19.0971739589      -32.6044684313
N          60.1099266770      -18.1774034198      -33.0150770194
H          60.6876727191      -17.3628641782      -32.8428573552
CA         60.6425985580      -19.2445684779      -33.8900200650
HA2        60.6605761236      -20.1940543946      -33.3539401222
HA3        59.9978095441      -19.3702909056      -34.7605108472
C          62.0536265739      -18.9733427195      -34.3941161454
O          62.1774391394      -18.4010611142      -35.4981008755
OXT        63.0142795110      -19.3170773883      -33.6741987963
          138
Energy of minimum      8=     -383.6134926888 first found at step    16887
N          -6.6075703348        1.3634685126      -11.6651975369
H1         -7.0600103306        2.2034684991      -11.3029373318
H2         -5.9566998727        1.0432148350      -10.9381686910
H3         -7.3225024219        0.6549548973      -11.7538611464
CA         -5.8929919514        1.6170307383      -12.9499004226
HA2        -5.4221521200        0.6930243788      -13.2888047195
HA3        -6.6122847806        1.9250513984      -13.7107123868
C          -4.8047150850        2.7023349342      -12.8441240637
O          -3.6323112263        2.3903853160      -12.6260165571
N          -5.2111874612        3.9708209869      -12.9613495453
H          -6.1847119192        4.1219488649      -13.2040471069
CA         -4.3304844432        5.1527903859      -12.8352745493
HA         -3.5224710884        4.9119769377      -12.1426336648
CB         -3.6947547116        5.4526943037      -14.2064149673
HB2        -3.0263501083        6.3085993383      -14.1057436540
HB3        -3.0696015294        4.6044869826      -14.4881318958
CG         -4.6735766582        5.7336788650      -15.3362805388
CD1        -5.2764279019        7.0014135343      -15.4582384160
HD1        -5.0373370522        7.7841092000      -14.7524132821
CE1        -6.1897250412        7.2593875246      -16.4983169769
HE1        -6.6551773794        8.2320630174      -16.5795823261
CZ         -6.4931317986        6.2473079277      -17.4380657258
OH         -7.3742245201        6.4856374191      -18.4511031355
HH         -7.7333414398        7.3869185664      -18.4397988672
CE2        -5.8740833612        4.9816309859      -17.3281256157
HE2        -6.1024344290        4.2083456637      -18.0484508743
CD2        -4.9718211903        4.7275526071      -16.2772947250
HD2        -4.5059489016        3.7549828109      -16.1943159406
C          -5.0252221508        6.4064853200      -12.2511361467
O          -4.3903103233        7.4456740459      -12.0622176153
N          -6.3281053883        6.3137697757      -11.9519984311
H          -6.7544186246        5.3996763525      -12.0173520589
CA         -7.2370348161        7.3986918716      -11.5539688022
HA         -6.8034202514        7.9286392929      -10.7064971814
CB         -7.4109782924        8.3953150713      -12.7175517431
HB2        -7.8207301540        7.8673880868      -13.5800289256
HB3        -6.4364494074        8.7872916774      -13.0102797285
CG         -8.3244571980        9.5770537297      -12.3512166644
OD1        -7.7908831781       10.6565344914      -11.9988526584
OD2        -9.5665728511        9.4114486670      -12.3846458185
C          -8.5945503333        6.7753122940      -11.1632820716
O          -8.9774177197        5.7881150468      -11.7977896101
N          -9.3448921205        7.3058402265      -10.1761783609
CD         -8.9399560488        8.3508178833       -9.2479131430
HD2        -9.0455442328        9.3277470404       -9.7187188160
HD3        -7.9175134126        8.2088356499       -8.8975618202
CG         -9.9028735710        8.2512578024       -8.0679727633
HG2       -10.0414844453        9.2139394580       -7.5747962509
HG3        -9.5444408640        7.5012957518       -7.3607088984
CB        -11.1859256994        7.7619268113       -8.7342465071
HB2       -11.8448017944        7.2615247556       -8.0236226363
HB3       -11.6966514254        8.6046813413       -9.2040538508
CA        -10.6679434561        6.7967787969       -9.8047766304
HA        -10.5171941934        5.8216812382       -9.3388905870
C         -11.6875063836        6.6204548432      -10.9477059822
O         -12.6136515522        5.8290384254      -10.7784516492
N         -11.5205168113        7.2676418629      -12.1112301123
H         -10.7700148295        7.9549285783      -12.1919621261
CA        -12.3472701179        7.0009203442      -13.3032703784
HA        -13.3896620640        7.1160743653      -13.0019848810
CB        -12.0827918636        8.0474387209      -14.4038888843
HB2       -12.0736123409        9.0410187594      -13.9539547753
HB3       -12.9182456602        8.0130188626      -15.1038765791
CG        -10.7852492631        7.8409948439      -15.2021679490
HG2        -9.9400538690        7.7919838388      -14.5175743681
HG3       -10.8326175135        6.8922403718      -15.7391280918
CD        -10.5776849468        8.9700592155      -16.2246332723
OE1       -11.3325782716        9.0295847809      -17.2257880507
OE2        -9.6516907987        9.7993507095      -16.0562469816
C         -12.1858538934        5.5641860458      -13.8525271778
O         -13.1107288271        5.0278879039      -14.4717966337
N         -11.0343638370        4.9217171958      -13.5902440370
H         -10.3400222819        5.4307400949      -13.0557899734
CA        -10.7420965126        3.5052335854      -13.9032873717
HA        -11.2877778436        3.2372015410      -14.8084035402
CB         -9.2480638784        3.2828716033      -14.1931755236
HB         -9.1209458819        2.2703688628      -14.5800652969
CG2        -8.6809597952        4.2538717270      -15.2256755827
HG21       -8.6554101481        5.2701265500      -14.8317811610
HG22       -9.2892102736        4.2289826364      -16.1298966249
HG23       -7.6674746500        3.9457539404      -15.4749317599
OG1        -8.4741581233        3.4070231788      -13.0206677126
HG1        -8.7114352198        4.2389871119      -12.5682653222
C         -11.2292152066        2.5416879182      -12.8124230382
O         -11.0306247710        1.3302064453      -12.9173207384
N         -11.8383924131        3.0756030487      -11.7467868104
H         -11.9648244528        4.0797304654      -11.7479672933
CA        -12.2951755744        2.3667504656      -10.5451456081
HA2       -13.2777508091        2.7499511283      -10.2677107054
HA3       -12.3630302367        1.2959134702      -10.7394778839
C         -11.3698466625        2.5719726830       -9.3403601190
O         -11.8629838790        2.6179824456       -8.2115313684
N         -10.0578672626        2.7438696756       -9.5823905456
H          -9.7778725718        2.7427544661      -10.5545075747
CA         -8.9970585473        2.9056165926       -8.5665772490
HA         -9.4146173895        3.4365104303       -7.7094940097
CB         -8.4569217069        1.5502396606       -8.0699025803
HB         -7.5754062100        1.7319488607       -7.4502240026
CG2        -9.4632828394        0.7685246713       -7.2246228441
HG21       -9.8476370746        1.4037841334       -6.4263417202
HG22       -8.9701124132       -0.0932744934       -6.7744500003
HG23      -10.2904914208        0.4179671052       -7.8411847253
OG1        -8.0913752453        0.7497462079       -9.1765497253
HG1        -7.7603042132       -0.1065637668       -8.8428565212
C          -7.8383502624        3.7411820444       -9.0996952175
O          -7.4890420439        3.6569981756      -10.2803578958
N          -7.2037255794        4.4980248303       -8.2037947084
H          -7.5434012777        4.4516879116       -7.2537165117
CA         -6.0586158784        5.3781444613       -8.4780403990
HA         -6.3197062923        6.0337051879       -9.3054282588
CB         -5.8296514988        6.2553673578       -7.2381057792
HB2        -4.9872763389        6.9226140638       -7.4285984773
HB3        -6.7076776155        6.8863706934       -7.0928288170
CG         -5.5742604174        5.5086507725       -5.9618611930
CD1        -4.3680480042        5.0695871479       -5.5365087116
HD1        -3.4318561965        5.2180916968       -6.0636667588
NE1        -4.5113956230        4.3942048215       -4.3401752126
HE1        -3.7333163175        3.9770138244       -3.8395094615
CE2        -5.8274928688        4.3646639451       -3.9299482845
CZ2        -6.4730193355        3.8094781746       -2.8141964828
HZ2        -5.9036214696        3.2830863542       -2.0606859491
CH2        -7.8671812141        3.9400644815       -2.6952325213
HH2        -8.3816315357        3.5151873616       -1.8424964084
CZ3        -8.5934319437        4.6254449065       -3.6861431221
HZ3        -9.6667631985        4.7279830783       -3.5898712965
CE3        -7.9347172909        5.1850545181       -4.7982954496
HE3        -8.5079842255        5.7186532505       -5.5434011487
CD2        -6.5354526299        5.0668146153       -4.9527517756
C          -4.7626298169        4.6413288421       -8.8887698534
O          -3.8329996354        5.2720032400       -9.3957174723
N          -4.6940337077        3.3171970680       -8.6929355858
H          -5.4984427017        2.8899257811       -8.2487625387
CA         -3.5531728864        2.4448340036       -9.0450444699
HA2        -3.1921271133        2.6773888046      -10.0465469655
HA3        -2.7291798419        2.6137586772       -8.3511373362
C          -3.8958801617        0.9600292950       -9.0152755001
O          -3.2951898877        0.2325557092       -8.1965742929
OXT        -4.7694270487        0.5499065774       -9.8103838878
          138
Energy of minimum      9=     -383.3768297353 first found at step    31212
N          -5.7274331119        1.5118800407       -8.8609031738
H1         -6.2289167475        2.3311871977       -9.2042873990
H2         -5.5809249951        1.6581032091       -7.8551172721
H3         -6.3381246125        0.7122352181       -8.9550106155
CA         -4.4250038119        1.3202404914       -9.5624039278
HA2        -3.8746065531        0.5052980810       -9.0899259774
HA3        -4.6103609425        1.0411798523      -10.6008050346
C          -3.5368649381        2.5785860369       -9.5580854177
O          -2.6549469786        2.7212087179       -8.7087952787
N          -3.8053331878        3.4982697596      -10.4908903926
H          -4.5069530219        3.2600537373      -11.1840529619
CA         -3.1293827604        4.8053269422      -10.6144539903
HA         -2.9177310290        5.1734374570       -9.6114280980
CB         -1.7713794269        4.6149375444      -11.3195493128
HB2        -1.2619680191        5.5779955350      -11.3682012556
HB3        -1.1459285340        3.9718132232      -10.6996426746
CG         -1.8294082996        4.0278621546      -12.7204479232
CD1        -2.0865084256        4.8575741647      -13.8299216917
HD1        -2.2421898793        5.9174459511      -13.6865028243
CE1        -2.1347666810        4.3163612278      -15.1288386847
HE1        -2.3384849340        4.9587417695      -15.9744528229
CZ         -1.9074126606        2.9347851904      -15.3264400117
OH         -1.9453817336        2.3998718019      -16.5801410120
HH         -2.1393437045        3.0556657411      -17.2686262764
CE2        -1.6300469516        2.1052204520      -14.2164235591
HE2        -1.4508342122        1.0496776513      -14.3670038009
CD2        -1.5965842691        2.6519838481      -12.9191924902
HD2        -1.3868966222        2.0121148414      -12.0729023331
C          -3.9826380693        5.9037624090      -11.2981327756
O          -3.5016651783        7.0189558199      -11.5072384487
N          -5.2381638638        5.6008242752      -11.6551590241
H          -5.6064828900        4.7123657772      -11.3444124221
CA         -6.1067363229        6.3809388668      -12.5540583419
HA         -6.1535552724        7.4070273110      -12.1911314991
CB         -5.4855777213        6.3850592306      -13.9671395910
HB2        -5.4397019409        5.3582753716      -14.3373424379
HB3        -4.4628452731        6.7581653446      -13.9178489351
CG         -6.2630558637        7.2509125561      -14.9673659134
OD1        -7.2376702799        6.7362845520      -15.5620293195
OD2        -5.8966814856        8.4357463723      -15.1527329175
C          -7.5268719897        5.7656367894      -12.5890133535
O          -7.6323214859        4.5421161391      -12.4709294540
N          -8.6164137154        6.5369072816      -12.7859839996
CD         -8.6602234843        7.9908059290      -12.7425413101
HD2        -8.3385021604        8.4047085104      -13.6970996654
HD3        -8.0461218849        8.3800598119      -11.9346011245
CG        -10.1230426499        8.3531193336      -12.5011479601
HG2       -10.3748504259        9.3265900507      -12.9230492398
HG3       -10.3385598473        8.3260547536      -11.4317724016
CB        -10.8609293391        7.2174678057      -13.2049995962
HB2       -11.8694339194        7.0856506878      -12.8113799298
HB3       -10.8902719619        7.4138110753      -14.2785252764
CA         -9.9749771638        6.0025360432      -12.9136568520
HA        -10.2589764138        5.5905702297      -11.9440212344
C         -10.1702351738        4.9088782344      -13.9809236626
O         -11.0936440730        4.1080526319      -13.8440799263
N          -9.3082686851        4.8185382991      -15.0053149089
H          -8.5881319007        5.5343750566      -15.1107409984
CA         -9.3141747290        3.7213977082      -15.9868770811
HA        -10.3270943339        3.6322392713      -16.3827340989
CB         -8.3805184325        4.0957442370      -17.1528663930
HB2        -7.3418705961        4.0605849481      -16.8227937632
HB3        -8.6008781033        5.1277485161      -17.4298929229
CG         -8.5637087445        3.2616605203      -18.4322164257
HG2        -9.6306501050        3.1876497454      -18.6521291733
HG3        -8.1016259551        3.8085892010      -19.2561984006
CD         -7.9334197378        1.8574903248      -18.3920562515
OE1        -6.7822322061        1.7053095507      -17.9175299040
OE2        -8.5602379400        0.9009223914      -18.9097040324
C          -8.9279975688        2.3700119968      -15.3448378369
O          -9.4969455202        1.3329501670      -15.7016360839
N          -8.0334260788        2.3852902852      -14.3413457131
H          -7.6339684448        3.2849184810      -14.1006002856
CA         -7.7103293243        1.2329202164      -13.4680987796
HA         -7.7292126319        0.3334782064      -14.0837630878
CB         -6.2970965562        1.3363472936      -12.8714122586
HB         -6.0485041854        0.3781011197      -12.4122043070
CG2        -5.2187738799        1.6536688014      -13.9033541444
HG21       -5.2755748817        0.9431937916      -14.7279067528
HG22       -4.2437977384        1.5648393265      -13.4286501830
HG23       -5.3350286270        2.6675341232      -14.2861519485
OG1        -6.2370031578        2.3314764153      -11.8749164434
HG1        -6.8114748176        3.0762734687      -12.1406565121
C          -8.7521607921        1.0093304240      -12.3619091819
O          -8.6092085082        0.0956621922      -11.5477199812
N          -9.7874791524        1.8561933009      -12.3101214814
H          -9.8278215108        2.5730191042      -13.0234177628
CA        -10.8842934319        1.8537401019      -11.3352177743
HA2       -11.8133737444        2.0856920214      -11.8569095328
HA3       -10.9660318460        0.8730840228      -10.8653777329
C         -10.7145429460        2.8946436922      -10.2238896779
O         -11.7181516993        3.4367185222       -9.7564713325
N          -9.4627943053        3.1882816358       -9.8285172611
H          -8.7151832814        2.7212506399      -10.3248735793
CA         -9.0878186275        4.0535389412       -8.6908735212
HA         -9.8032026524        4.8748734573       -8.6241754475
CB         -9.1049477869        3.2861630426       -7.3531564981
HB         -8.7058782536        3.9385488057       -6.5728943645
CG2       -10.4980331107        2.8387612405       -6.9088630362
HG21      -11.1836421075        3.6858825578       -6.9355053726
HG22      -10.4511496460        2.4629457345       -5.8865298296
HG23      -10.8713093365        2.0462609962       -7.5568515359
OG1        -8.2841308700        2.1402706744       -7.4628232084
HG1        -8.3036734388        1.6617945637       -6.6114540322
C          -7.7043759961        4.6654137778       -8.8835471697
O          -6.8249153694        4.0504155173       -9.4929679282
N          -7.4883974565        5.8296678210       -8.2703074070
H          -8.2662156029        6.2195773024       -7.7573309968
CA         -6.2221805275        6.5778037664       -8.2606572020
HA         -5.8912876655        6.7147931374       -9.2894253441
CB         -6.4880171283        7.9646069900       -7.6557071271
HB2        -6.8717336578        7.8424213836       -6.6411152927
HB3        -5.5371965986        8.4936157283       -7.5744507329
CG         -7.4179579945        8.8496064165       -8.4290318412
CD1        -8.7014483198        9.1248074658       -8.1041211566
HD1        -9.2224704535        8.7294090287       -7.2391325409
NE1        -9.2401127188       10.0002294537       -9.0268240751
HE1       -10.1912276492       10.3500703799       -8.9726755524
CE2        -8.3234297279       10.3373033324      -10.0001401855
CZ2        -8.3850084637       11.1662119206      -11.1310497104
HZ2        -9.2953280668       11.6992343089      -11.3676572973
CH2        -7.2523609463       11.2855419057      -11.9543130387
HH2        -7.2839947325       11.9165128999      -12.8334456732
CZ3        -6.0768900082       10.5819309161      -11.6344850898
HZ3        -5.2062963187       10.6741767406      -12.2708370383
CE3        -6.0235979455        9.7583137005      -10.4930976232
HE3        -5.1127017280        9.2241797273      -10.2615184564
CD2        -7.1455340050        9.6103130587       -9.6474414808
C          -5.0696355923        5.8843809878       -7.4981589951
O          -3.9208483654        6.3181755028       -7.6033663369
N          -5.3576577408        4.8274685835       -6.7259149577
H          -6.3337369258        4.5582284609       -6.6846419759
CA         -4.3888074243        4.0607833865       -5.9124577991
HA2        -3.5044012472        3.8204353829       -6.5022854305
HA3        -4.0613027139        4.6592557414       -5.0616076483
C          -4.9516026416        2.7512547384       -5.3754427934
O          -5.1570973162        2.6568423630       -4.1471088261
OXT        -5.1904341258        1.8432888054       -6.2006389625
          138
Energy of minimum     10=     -383.1060682857 first found at step    31197
N          -6.0594975781        1.6862393313       -8.6854772469
H1         -6.5495325741        2.5506828995       -8.9159665482
H2         -5.7326546436        1.7778419580       -7.7167426290
H3         -6.7388594715        0.9379364191       -8.6908887875
CA         -4.9188262540        1.4237427142       -9.6098219669
HA2        -4.3607401678        0.5544472784       -9.2588349994
HA3        -5.3068999438        1.1921630899      -10.6031234005
C          -3.9428570608        2.6086515898       -9.7475697636
O          -2.8824889322        2.6280010048       -9.1193506231
N          -4.3224351214        3.5952711959      -10.5664230599
H          -5.1823058976        3.4566893417      -11.0869121859
CA         -3.5256958789        4.8015404158      -10.8672161270
HA         -2.8921202198        5.0378771036      -10.0116194011
CB         -2.6215254206        4.4583095728      -12.0649391851
HB2        -2.0779336000        3.5385211731      -11.8443054355
HB3        -3.2533519028        4.2596912618      -12.9323202257
CG         -1.5967621226        5.5185371757      -12.4257201685
CD1        -0.4853808765        5.7370478377      -11.5875439616
HD1        -0.3666274792        5.1485927984      -10.6875073085
CE1         0.4654867108        6.7249308687      -11.9074870905
HE1         1.3111225521        6.8929178441      -11.2545754735
CZ          0.3161746011        7.4927439106      -13.0854758463
OH          1.2328771479        8.4494346006      -13.4080573137
HH          1.9498365759        8.5242729229      -12.7579542519
CE2        -0.7876816737        7.2609015154      -13.9369430183
HE2        -0.9012274438        7.8450925137      -14.8397369492
CD2        -1.7412392007        6.2800406036      -13.6029994258
HD2        -2.5895471693        6.1142803601      -14.2533253820
C          -4.3743234333        6.0636840142      -11.1697644264
O          -3.8471536753        7.1762617920      -11.2243463169
N          -5.6873478723        5.8962774116      -11.3783935888
H          -6.0717790907        4.9791121730      -11.1978349498
CA         -6.6112311998        6.8516603080      -12.0105117092
HA         -6.5538988285        7.8052259037      -11.4867328591
CB         -6.1765134130        7.0577113970      -13.4780008948
HB2        -6.2053648682        6.0943598357      -13.9900500543
HB3        -5.1418930012        7.4024757529      -13.5066071399
CG         -7.0475841873        8.0672079332      -14.2432505325
OD1        -8.1378771434        7.6751948818      -14.7217499772
OD2        -6.6391336061        9.2480804138      -14.3540231908
C          -8.0504798514        6.2899015930      -11.9358164373
O          -8.1954748242        5.0639117911      -11.9454163997
N          -9.1195538445        7.1104634999      -11.8974785326
CD         -9.0987064612        8.5479411977      -11.6719766589
HD2        -8.8692702337        9.0743957217      -12.5966507917
HD3        -8.3827642951        8.8131138758      -10.8988259922
CG        -10.5094265749        8.9159012343      -11.2204726877
HG2       -10.7665173638        9.9411407483      -11.4885156037
HG3       -10.6047449653        8.7607479914      -10.1444701091
CB        -11.3670487610        7.8981394783      -11.9676229260
HB2       -12.3300056084        7.7448887180      -11.4791145801
HB3       -11.5074730734        8.2275933631      -12.9988832245
CA        -10.5046059417        6.6329398646      -11.9313826153
HA        -10.6917497092        6.1197568316      -10.9867998415
C         -10.8653275689        5.6670193805      -13.0768084577
O         -11.8036522553        4.8906848387      -12.9048104608
N         -10.1264620035        5.6385466786      -14.1965369689
H          -9.3903806005        6.3347370659      -14.3215850588
CA        -10.3134266367        4.6242504055      -15.2516402411
HA        -11.3748298143        4.6182056856      -15.5047844525
CB         -9.5548349596        5.0133820274      -16.5362486354
HB2        -9.7186720390        6.0728249428      -16.7379484034
HB3        -9.9914395906        4.4515724260      -17.3626546022
CG         -8.0442202468        4.7292836982      -16.5154023097
HG2        -7.5958186098        5.2078570857      -15.6462276967
HG3        -7.8757825826        3.6547774869      -16.4270173934
CD         -7.3649611212        5.2238288214      -17.8027096320
OE1        -7.6267594297        4.6512177142      -18.8885853090
OE2        -6.5429961148        6.1698178435      -17.7463916753
C          -9.9456897423        3.1941183620      -14.7926474703
O         -10.5007980585        2.2140136409      -15.3003417603
N          -9.0468847610        3.0718141776      -13.8003373819
H          -8.6597344153        3.9309461159      -13.4276946906
CA         -8.6923350281        1.8163964796      -13.1003976615
HA         -8.8481908373        0.9849930918      -13.7886497784
CB         -7.2095576508        1.7912520061      -12.6904057007
HB         -6.9601692582        0.7821011356      -12.3586111717
CG2        -6.2545363123        2.1657676521      -13.8227308686
HG21       -6.4537878013        1.5404461476      -14.6931964700
HG22       -5.2278658441        1.9996234266      -13.4962072235
HG23       -6.3713683264        3.2150552803      -14.0940346145
OG1        -6.9683588597        2.6805331516      -11.6240241112
HG1        -7.5169378591        3.4788254546      -11.7489612399
C          -9.5967878726        1.5432699874      -11.8892527971
O          -9.4096744320        0.5518935169      -11.1819407713
N         -10.5569139060        2.4377638837      -11.6250909624
H         -10.6425057901        3.2184533501      -12.2634140074
CA        -11.4989056634        2.4186776697      -10.4992775356
HA2       -12.4823079523        2.7174360130      -10.8640020325
HA3       -11.5582926750        1.4156974110      -10.0753682570
C         -11.1189062421        3.3849494155       -9.3715998472
O         -12.0156364431        3.9711002252       -8.7617984569
N          -9.8102411218        3.5717424278       -9.1227600939
H          -9.1648290154        3.0794325173       -9.7264851587
CA         -9.2362734311        4.3614342484       -8.0118943772
HA         -9.8824270226        5.2196169873       -7.8198936454
CB         -9.1297349867        3.5353097677       -6.7141680870
HB         -8.5963311078        4.1277309052       -5.9670462116
CG2       -10.4816668092        3.1472768959       -6.1141176444
HG21      -11.1098261554        4.0328899997       -6.0166499812
HG22      -10.3310127902        2.7184355440       -5.1231618703
HG23      -10.9831556225        2.4116068547       -6.7423025174
OG1        -8.4012379474        2.3510639545       -6.9721047473
HG1        -8.3451895125        1.8352366813       -6.1443556330
C          -7.8532041389        4.8999290480       -8.3635036132
O          -7.1130715592        4.2689989929       -9.1232394523
N          -7.4743821250        6.0130686557       -7.7345272154
H          -8.1429904708        6.4190426347       -7.0955254330
CA         -6.1799684865        6.6926995847       -7.8969195403
HA         -6.0350423179        6.9192356833       -8.9522018526
CB         -6.2332179580        8.0210885084       -7.1282847543
HB2        -6.4356638971        7.8164900331       -6.0753354623
HB3        -5.2480296011        8.4874646349       -7.1790671780
CG         -7.2247161558        9.0244430572       -7.6335633143
CD1        -8.4229617345        9.3056565405       -7.0734057510
HD1        -8.8176993297        8.8348606444       -6.1798036069
NE1        -9.0597762477       10.2916787066       -7.8015068642
HE1        -9.9712287464       10.6642088472       -7.5556517820
CE2        -8.2976266770       10.7000928758       -8.8755630334
CZ2        -8.5004471697       11.6463327597       -9.8920922616
HZ2        -9.4093006865       12.2311674936       -9.9193679332
CH2        -7.5120179084       11.8152525245      -10.8766562564
HH2        -7.6543865429       12.5368635397      -11.6710172012
CZ3        -6.3369728270       11.0431838406      -10.8290193814
HZ3        -5.5780071024       11.1737667485      -11.5894775186
CE3        -6.1403513429       10.1013595253       -9.8003028695
HE3        -5.2318568047        9.5156774880       -9.7781582469
CD2        -7.1160249838        9.9012091865       -8.7984147465
C          -4.9572658615        5.8706326884       -7.4326268499
O          -3.8293086809        6.1787957193       -7.8221220409
N          -5.1601572205        4.8394521526       -6.6008316583
H          -6.1195346870        4.6770982734       -6.3177055863
CA         -4.1050592987        3.9814245095       -6.0182167848
HA2        -3.3895108734        3.6842186114       -6.7845689874
HA3        -3.5548574578        4.5349809273       -5.2564449421
C          -4.6442129740        2.7114915344       -5.3743205989
O          -4.6253766018        2.6256779150       -4.1285268354
OXT        -5.0911927561        1.8262884636       -6.1348735504
