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testcord.cor
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testcord.cor
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* POLY-ALA ALPHA CHAIN COOR AFTER MINIMIZING.
* CONSTRAINED CONJ. GRADIENT MINIMIZATION
* DATE: 4/ 8/15 14:40:14 CREATED BY USER: rumack
*
93 EXT
1 1 ALA N 1.0319947523 -0.6990552426 -0.4256370970 MAIN 1 0.0000000000
2 1 ALA HT1 1.1533726930 -1.7341489314 -0.4670975670 MAIN 1 0.0000000000
3 1 ALA HT2 0.8621844808 -0.3564405064 -1.3914644715 MAIN 1 0.0000000000
4 1 ALA HT3 0.2100443186 -0.4893142578 0.1785557810 MAIN 1 0.0000000000
5 1 ALA CA 2.2777786077 -0.0956262285 0.1528319581 MAIN 1 0.0000000000
6 1 ALA HA 2.4557852530 -0.5547687541 1.1183399642 MAIN 1 0.0000000000
7 1 ALA CB 3.4433940798 -0.4445344237 -0.7991597875 MAIN 1 0.0000000000
8 1 ALA HB1 3.5464434075 -1.5421532097 -0.9400976316 MAIN 1 0.0000000000
9 1 ALA HB2 3.3294223356 0.0271989053 -1.7992188148 MAIN 1 0.0000000000
10 1 ALA HB3 4.4079360891 -0.0856361115 -0.3711409244 MAIN 1 0.0000000000
11 1 ALA C 2.2710954871 1.4106565589 0.4035823088 MAIN 1 0.0000000000
12 1 ALA O 2.4943820388 1.8317055888 1.5287587240 MAIN 1 0.0000000000
13 2 ALA N 1.9826129290 2.2546613322 -0.6188002580 MAIN 2 0.0000000000
14 2 ALA HN 1.7082139747 1.9535745980 -1.5241014474 MAIN 2 0.0000000000
15 2 ALA CA 2.4165866357 3.6440581279 -0.6363542553 MAIN 2 0.0000000000
16 2 ALA HA 3.4972106332 3.6484542467 -0.5565131417 MAIN 2 0.0000000000
17 2 ALA CB 2.0490419027 4.2510790493 -2.0053391151 MAIN 2 0.0000000000
18 2 ALA HB1 2.5123874065 3.6695678393 -2.8299515901 MAIN 2 0.0000000000
19 2 ALA HB2 0.9497588368 4.2726930546 -2.1582542333 MAIN 2 0.0000000000
20 2 ALA HB3 2.4312028106 5.2936429012 -2.0807706815 MAIN 2 0.0000000000
21 2 ALA C 1.9322328469 4.5760927309 0.4741212448 MAIN 2 0.0000000000
22 2 ALA O 2.7348281121 5.3116111940 1.0297902114 MAIN 2 0.0000000000
23 3 ALA N 0.6400675226 4.5561257661 0.8666229133 MAIN 3 0.0000000000
24 3 ALA HN -0.0382195098 4.0102968568 0.3940140952 MAIN 3 0.0000000000
25 3 ALA CA 0.1437538344 5.4209560225 1.9289287679 MAIN 3 0.0000000000
26 3 ALA HA 0.4104600876 6.4419731045 1.6805797434 MAIN 3 0.0000000000
27 3 ALA CB -1.3921271758 5.3141044785 2.0060071985 MAIN 3 0.0000000000
28 3 ALA HB1 -1.8435696894 5.5733025397 1.0241188461 MAIN 3 0.0000000000
29 3 ALA HB2 -1.7118534442 4.2894971563 2.2916163196 MAIN 3 0.0000000000
30 3 ALA HB3 -1.7904427648 6.0277976076 2.7617316219 MAIN 3 0.0000000000
31 3 ALA C 0.7476736802 5.1470722764 3.3091677937 MAIN 3 0.0000000000
32 3 ALA O 1.1119700999 6.0592796100 4.0414178659 MAIN 3 0.0000000000
33 4 ALA N 0.8939721086 3.8576014280 3.6787053501 MAIN 4 0.0000000000
34 4 ALA HN 0.5979342651 3.1317723756 3.0753901088 MAIN 4 0.0000000000
35 4 ALA CA 1.5674667888 3.4430806001 4.8933844712 MAIN 4 0.0000000000
36 4 ALA HA 1.1437722215 3.9910022613 5.7257870442 MAIN 4 0.0000000000
37 4 ALA CB 1.3665157321 1.9296931433 5.1171299122 MAIN 4 0.0000000000
38 4 ALA HB1 0.2830660844 1.6973986941 5.1848686979 MAIN 4 0.0000000000
39 4 ALA HB2 1.8121307935 1.3431279533 4.2871849109 MAIN 4 0.0000000000
40 4 ALA HB3 1.8453912232 1.6144423860 6.0708058225 MAIN 4 0.0000000000
41 4 ALA C 3.0530470729 3.7680636303 4.8752482351 MAIN 4 0.0000000000
42 4 ALA O 3.6090122676 4.2269017116 5.8635393153 MAIN 4 0.0000000000
43 5 ALA N 3.7190697596 3.5534974353 3.7205550262 MAIN 5 0.0000000000
44 5 ALA HN 3.2476626751 3.1749816894 2.9301385611 MAIN 5 0.0000000000
45 5 ALA CA 5.1167325071 3.8862664501 3.5340599212 MAIN 5 0.0000000000
46 5 ALA HA 5.6886470276 3.4045862237 4.3159560900 MAIN 5 0.0000000000
47 5 ALA CB 5.5806755354 3.3803572069 2.1511638085 MAIN 5 0.0000000000
48 5 ALA HB1 5.4013980445 2.2886135310 2.0683859601 MAIN 5 0.0000000000
49 5 ALA HB2 5.0326602073 3.8999826613 1.3381515670 MAIN 5 0.0000000000
50 5 ALA HB3 6.6696329137 3.5683769948 2.0216150568 MAIN 5 0.0000000000
51 5 ALA C 5.3956327068 5.3794349016 3.6550657864 MAIN 5 0.0000000000
52 5 ALA O 6.3428395320 5.7784531577 4.3138106572 MAIN 5 0.0000000000
53 6 ALA N 4.5328244759 6.2260795829 3.0577263912 MAIN 6 0.0000000000
54 6 ALA HN 3.7902391150 5.8726819507 2.4917712163 MAIN 6 0.0000000000
55 6 ALA CA 4.5983963022 7.6698965556 3.1460961197 MAIN 6 0.0000000000
56 6 ALA HA 5.5875679505 7.9814638414 2.8339119692 MAIN 6 0.0000000000
57 6 ALA CB 3.5307518733 8.2675157045 2.2058556045 MAIN 6 0.0000000000
58 6 ALA HB1 3.6996319750 7.9091169401 1.1688988712 MAIN 6 0.0000000000
59 6 ALA HB2 2.5127856756 7.9606821525 2.5281053093 MAIN 6 0.0000000000
60 6 ALA HB3 3.5918882013 9.3782534644 2.2106847825 MAIN 6 0.0000000000
61 6 ALA C 4.4013251733 8.2291576848 4.5516616446 MAIN 6 0.0000000000
62 6 ALA O 5.0429104018 9.1962139284 4.9358791583 MAIN 6 0.0000000000
63 7 ALA N 3.4661028407 7.6616314294 5.3404342063 MAIN 7 0.0000000000
64 7 ALA HN 2.8781505909 6.9398702011 4.9871763701 MAIN 7 0.0000000000
65 7 ALA CA 3.3170855277 7.9938328183 6.7427069990 MAIN 7 0.0000000000
66 7 ALA HA 3.2939269739 9.0726818314 6.8329041677 MAIN 7 0.0000000000
67 7 ALA CB 1.9768785022 7.4120466396 7.2462376144 MAIN 7 0.0000000000
68 7 ALA HB1 1.1406764223 7.8040951236 6.6304918906 MAIN 7 0.0000000000
69 7 ALA HB2 1.9838875354 6.3039705844 7.1737619982 MAIN 7 0.0000000000
70 7 ALA HB3 1.8066750861 7.7038692014 8.3049890929 MAIN 7 0.0000000000
71 7 ALA C 4.4625411570 7.5229452835 7.6484388680 MAIN 7 0.0000000000
72 7 ALA O 4.8402634351 8.2099746182 8.5913305442 MAIN 7 0.0000000000
73 8 ALA N 4.9630532539 6.2876060060 7.4332727360 MAIN 8 0.0000000000
74 8 ALA HN 4.6106434187 5.7311842221 6.6838580414 MAIN 8 0.0000000000
75 8 ALA CA 6.0178487058 5.6761244292 8.2222730599 MAIN 8 0.0000000000
76 8 ALA HA 5.7989056950 5.8700694557 9.2633063730 MAIN 8 0.0000000000
77 8 ALA CB 5.9854178719 4.1498830063 7.9817525392 MAIN 8 0.0000000000
78 8 ALA HB1 4.9780025249 3.7523960739 8.2198852059 MAIN 8 0.0000000000
79 8 ALA HB2 6.2136970340 3.9289565291 6.9191069768 MAIN 8 0.0000000000
80 8 ALA HB3 6.7317985637 3.6372767145 8.6257934543 MAIN 8 0.0000000000
81 8 ALA C 7.4566509674 6.1569897102 8.0178113461 MAIN 8 0.0000000000
82 8 ALA O 8.2093899731 6.2425420759 8.9859715582 MAIN 8 0.0000000000
83 9 ALA N 7.8741780750 6.3461750410 6.7522111908 MAIN 9 0.0000000000
84 9 ALA HN 7.2291278296 6.3699084687 5.9928509098 MAIN 9 0.0000000000
85 9 ALA CA 9.2464553835 6.6039450291 6.3626364448 MAIN 9 0.0000000000
86 9 ALA HA 9.8854484572 5.9891941880 6.9812485237 MAIN 9 0.0000000000
87 9 ALA CB 9.4532455390 6.2057254904 4.8861289713 MAIN 9 0.0000000000
88 9 ALA HB1 9.1419442428 5.1547591243 4.7273844504 MAIN 9 0.0000000000
89 9 ALA HB2 8.8403976780 6.8721135683 4.2417076858 MAIN 9 0.0000000000
90 9 ALA HB3 10.5217365785 6.3255075485 4.6114621657 MAIN 9 0.0000000000
91 9 ALA C 9.7375859843 8.0623619617 6.5569362995 MAIN 9 0.0000000000
92 9 ALA OT1 9.0129401676 9.0068001647 6.1422703080 MAIN 9 0.0000000000
93 9 ALA OT2 10.8920630692 8.2272836123 7.0441735675 MAIN 9 0.0000000000