REMARK Name = BDB017545 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C GLU A 4 -1.700 -0.688 -0.180 0.00 0.00 +0.234 C ATOM 2 N THR A 5 -0.739 -0.528 -1.159 0.00 0.00 -0.300 N ATOM 3 H THR A 5 -0.471 0.430 -1.360 0.00 0.00 +0.150 HD ATOM 4 O GLU A 4 -1.814 -1.709 0.496 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 CA GLU A 4 -2.608 0.537 0.050 0.00 0.00 +0.159 C BRANCH 5 7 ATOM 6 C GLU A 3 -4.910 -0.337 0.221 0.00 0.00 +0.234 C ATOM 7 N GLU A 4 -3.754 0.098 0.843 0.00 0.00 -0.302 N ATOM 8 H GLU A 4 -3.516 -0.389 1.699 0.00 0.00 +0.150 HD ATOM 9 O GLU A 3 -5.133 -0.169 -0.976 0.00 0.00 -0.274 OA BRANCH 6 10 ATOM 10 CA GLU A 3 -5.888 -1.078 1.164 0.00 0.00 +0.159 C BRANCH 10 12 ATOM 11 C ASP A 2 -8.114 -0.186 0.623 0.00 0.00 +0.234 C ATOM 12 N GLU A 3 -7.190 -1.209 0.524 0.00 0.00 -0.302 N ATOM 13 H GLU A 3 -7.238 -1.795 -0.310 0.00 0.00 +0.150 HD ATOM 14 O ASP A 2 -7.962 0.803 1.339 0.00 0.00 -0.274 OA BRANCH 11 15 ATOM 15 CA ASP A 2 -9.358 -0.390 -0.247 0.00 0.00 +0.169 C BRANCH 15 17 ATOM 16 C LEU A 1 -11.668 0.358 -0.305 0.00 0.00 +0.234 C ATOM 17 N ASP A 2 -10.378 0.593 0.111 0.00 0.00 -0.302 N ATOM 18 H ASP A 2 -10.044 1.534 0.297 0.00 0.00 +0.150 HD ATOM 19 O LEU A 1 -12.103 -0.780 -0.477 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 CA LEU A 1 -12.472 1.622 -0.664 0.00 0.00 +0.159 C BRANCH 20 23 ATOM 21 C UNK A 0 -14.498 0.304 -3.575 0.00 0.00 +0.109 C ATOM 22 C UNK A 0 -13.286 0.745 -2.797 0.00 0.00 +0.211 C ATOM 23 N LEU A 1 -13.578 1.259 -1.544 0.00 0.00 -0.304 N ATOM 24 H LEU A 1 -14.401 0.864 -1.108 0.00 0.00 +0.149 HD ATOM 25 O UNK A 0 -12.146 0.641 -3.255 0.00 0.00 -0.276 OA ENDBRANCH 20 23 BRANCH 20 26 ATOM 26 CB LEU A 1 -12.885 2.457 0.556 0.00 0.00 +0.034 C BRANCH 26 27 ATOM 27 CG LEU A 1 -14.103 1.984 1.379 0.00 0.00 -0.015 C ATOM 28 CD2 LEU A 1 -13.950 0.576 1.947 0.00 0.00 +0.007 C ATOM 29 CD1 LEU A 1 -14.346 2.969 2.530 0.00 0.00 +0.007 C ENDBRANCH 26 27 ENDBRANCH 20 26 ENDBRANCH 16 20 ENDBRANCH 15 17 BRANCH 15 30 ATOM 30 CB ASP A 2 -8.994 -0.229 -1.727 0.00 0.00 +0.152 C BRANCH 30 31 ATOM 31 CG ASP A 2 -9.165 -1.556 -2.396 0.00 0.00 +0.307 C ATOM 32 OD1 ASP A 2 -8.366 -2.470 -2.233 0.00 0.00 -0.251 OA BRANCH 31 33 ATOM 33 OD2 ASP A 2 -10.277 -1.661 -3.152 0.00 0.00 -0.481 OA ATOM 34 HD2 ASP A 2 -10.866 -0.866 -3.154 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 15 30 ENDBRANCH 11 15 ENDBRANCH 10 12 BRANCH 10 35 ATOM 35 CB GLU A 3 -5.338 -2.439 1.608 0.00 0.00 +0.043 C BRANCH 35 36 ATOM 36 CG GLU A 3 -5.057 -3.423 0.470 0.00 0.00 +0.123 C BRANCH 36 37 ATOM 37 CD GLU A 3 -4.469 -4.703 1.000 0.00 0.00 +0.305 C ATOM 38 OE1 GLU A 3 -4.317 -5.012 2.171 0.00 0.00 -0.251 OA BRANCH 37 39 ATOM 39 OE2 GLU A 3 -4.113 -5.546 0.013 0.00 0.00 -0.481 OA ATOM 40 HE2 GLU A 3 -3.755 -6.325 0.486 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 10 35 ENDBRANCH 6 10 ENDBRANCH 5 7 BRANCH 5 41 ATOM 41 CB GLU A 4 -1.858 1.682 0.733 0.00 0.00 +0.043 C BRANCH 41 42 ATOM 42 CG GLU A 4 -1.285 1.327 2.111 0.00 0.00 +0.123 C BRANCH 42 43 ATOM 43 CD GLU A 4 -0.577 2.515 2.720 0.00 0.00 +0.305 C ATOM 44 OE1 GLU A 4 -0.210 3.502 2.104 0.00 0.00 -0.251 OA BRANCH 43 45 ATOM 45 OE2 GLU A 4 -0.361 2.370 4.045 0.00 0.00 -0.481 OA ATOM 46 HE2 GLU A 4 -0.682 1.523 4.412 0.00 0.00 +0.295 HD ENDBRANCH 43 45 ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 5 41 ENDBRANCH 1 5 BRANCH 2 47 ATOM 47 CA THR A 5 0.313 -1.533 -1.304 0.00 0.00 +0.187 C BRANCH 47 48 ATOM 48 C THR A 5 1.451 -1.216 -0.311 0.00 0.00 +0.236 C ATOM 49 N GLY A 6 2.371 -2.225 -0.171 0.00 0.00 -0.305 N ATOM 50 H GLY A 6 2.388 -2.934 -0.904 0.00 0.00 +0.149 HD ATOM 51 O THR A 5 1.548 -0.142 0.285 0.00 0.00 -0.274 OA BRANCH 49 52 ATOM 52 CA GLY A 6 3.522 -2.101 0.697 0.00 0.00 +0.200 C BRANCH 52 53 ATOM 53 C GLY A 6 4.676 -1.404 -0.014 0.00 0.00 +0.231 C ATOM 54 N GLU A 7 4.498 -0.060 -0.234 0.00 0.00 -0.303 N ATOM 55 H GLU A 7 3.687 0.394 0.195 0.00 0.00 +0.149 HD ATOM 56 O GLY A 6 5.706 -1.992 -0.334 0.00 0.00 -0.274 OA BRANCH 54 57 ATOM 57 CA GLU A 7 5.509 0.779 -0.882 0.00 0.00 +0.159 C BRANCH 57 58 ATOM 58 C GLU A 7 6.651 1.063 0.125 0.00 0.00 +0.234 C ATOM 59 N PHE A 8 7.502 -0.019 0.301 0.00 0.00 -0.302 N ATOM 60 H PHE A 8 7.069 -0.917 0.080 0.00 0.00 +0.150 HD ATOM 61 O GLU A 7 6.779 2.118 0.735 0.00 0.00 -0.274 OA BRANCH 59 62 ATOM 62 CA PHE A 8 8.480 -0.017 1.406 0.00 0.00 +0.163 C BRANCH 62 63 ATOM 63 C PHE A 8 9.688 0.853 1.000 0.00 0.00 +0.234 C ATOM 64 N LEU A 9 10.068 0.697 -0.323 0.00 0.00 -0.301 N ATOM 65 H LEU A 9 9.323 0.381 -0.936 0.00 0.00 +0.150 HD ATOM 66 O PHE A 8 10.348 1.503 1.806 0.00 0.00 -0.274 OA BRANCH 64 67 ATOM 67 CA LEU A 9 11.079 1.568 -0.908 0.00 0.00 +0.182 C BRANCH 67 68 ATOM 68 C LEU A 9 10.342 2.708 -1.610 0.00 0.00 +0.325 C ATOM 69 O LEU A 9 9.225 2.648 -2.104 0.00 0.00 -0.249 OA BRANCH 68 70 ATOM 70 OXT LEU A 9 11.074 3.835 -1.707 0.00 0.00 -0.479 OA ATOM 71 HXT LEU A 9 10.470 4.476 -2.134 0.00 0.00 +0.295 HD ENDBRANCH 68 70 ENDBRANCH 67 68 BRANCH 67 72 ATOM 72 CB LEU A 9 11.937 0.818 -1.934 0.00 0.00 +0.036 C BRANCH 72 73 ATOM 73 CG LEU A 9 12.636 -0.448 -1.395 0.00 0.00 -0.015 C ATOM 74 CD2 LEU A 9 13.541 -0.159 -0.195 0.00 0.00 +0.007 C ATOM 75 CD1 LEU A 9 13.441 -1.111 -2.516 0.00 0.00 +0.007 C ENDBRANCH 72 73 ENDBRANCH 67 72 ENDBRANCH 64 67 ENDBRANCH 62 63 BRANCH 62 76 ATOM 76 CB PHE A 8 8.941 -1.460 1.678 0.00 0.00 +0.067 C BRANCH 76 77 ATOM 77 CG PHE A 8 9.801 -1.632 2.905 0.00 0.00 -0.045 A ATOM 78 CD2 PHE A 8 9.241 -1.542 4.188 0.00 0.00 +0.004 A ATOM 79 CE2 PHE A 8 10.040 -1.701 5.321 0.00 0.00 +0.000 A ATOM 80 CZ PHE A 8 11.406 -1.944 5.182 0.00 0.00 +0.000 A ATOM 81 CE1 PHE A 8 11.973 -2.036 3.912 0.00 0.00 +0.000 A ATOM 82 CD1 PHE A 8 11.174 -1.884 2.779 0.00 0.00 +0.004 A ENDBRANCH 76 77 ENDBRANCH 62 76 ENDBRANCH 59 62 ENDBRANCH 57 58 BRANCH 57 83 ATOM 83 CB GLU A 7 4.860 2.060 -1.415 0.00 0.00 +0.043 C BRANCH 83 84 ATOM 84 CG GLU A 7 5.822 2.895 -2.266 0.00 0.00 +0.123 C BRANCH 84 85 ATOM 85 CD GLU A 7 5.097 3.997 -2.993 0.00 0.00 +0.305 C ATOM 86 OE1 GLU A 7 3.942 4.348 -2.836 0.00 0.00 -0.251 OA BRANCH 85 87 ATOM 87 OE2 GLU A 7 5.895 4.602 -3.894 0.00 0.00 -0.481 OA ATOM 88 HE2 GLU A 7 5.332 5.297 -4.301 0.00 0.00 +0.295 HD ENDBRANCH 85 87 ENDBRANCH 84 85 ENDBRANCH 83 84 ENDBRANCH 57 83 ENDBRANCH 54 57 ENDBRANCH 52 53 ENDBRANCH 49 52 ENDBRANCH 47 48 BRANCH 47 89 ATOM 89 CB THR A 5 0.838 -1.645 -2.749 0.00 0.00 +0.141 C ATOM 90 CG2 THR A 5 1.628 -0.430 -3.228 0.00 0.00 +0.040 C BRANCH 89 91 ATOM 91 OG1 THR A 5 1.665 -2.812 -2.870 0.00 0.00 -0.390 OA ATOM 92 HG1 THR A 5 1.928 -2.884 -3.807 0.00 0.00 +0.210 HD ENDBRANCH 89 91 ENDBRANCH 47 89 ENDBRANCH 2 47 TORSDOF 42