REMARK Name = BDB061755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA GLU A 19 -1.561 8.906 5.412 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LYS A 18 -3.621 8.926 4.010 0.00 0.00 +0.234 C ATOM 3 N GLU A 19 -2.885 8.385 5.048 0.00 0.00 -0.302 N ATOM 4 H GLU A 19 -3.088 7.431 5.317 0.00 0.00 +0.150 HD ATOM 5 O LYS A 18 -3.195 9.852 3.317 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 CA LYS A 18 -5.091 8.441 3.846 0.00 0.00 +0.159 C BRANCH 6 8 ATOM 7 C ILE A 17 -5.921 7.322 1.701 0.00 0.00 +0.234 C ATOM 8 N LYS A 18 -5.426 8.392 2.416 0.00 0.00 -0.302 N ATOM 9 H LYS A 18 -5.234 9.247 1.911 0.00 0.00 +0.150 HD ATOM 10 O ILE A 17 -5.947 6.166 2.128 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 CA ILE A 17 -6.562 7.702 0.335 0.00 0.00 +0.162 C BRANCH 11 12 ATOM 12 N ILE A 17 -6.778 6.472 -0.436 0.00 0.00 -0.302 N ATOM 13 H ILE A 17 -6.533 5.602 0.034 0.00 0.00 +0.150 HD ATOM 14 C ARG A 16 -6.952 6.511 -1.805 0.00 0.00 +0.234 C ATOM 15 O ARG A 16 -7.088 7.584 -2.402 0.00 0.00 -0.274 OA BRANCH 14 16 ATOM 16 CA ARG A 16 -7.130 5.147 -2.542 0.00 0.00 +0.159 C BRANCH 16 17 ATOM 17 N ARG A 16 -6.920 5.330 -3.987 0.00 0.00 -0.302 N ATOM 18 H ARG A 16 -7.620 5.947 -4.394 0.00 0.00 +0.150 HD ATOM 19 C ASP A 15 -5.651 5.607 -4.472 0.00 0.00 +0.234 C ATOM 20 O ASP A 15 -4.692 5.694 -3.705 0.00 0.00 -0.274 OA BRANCH 19 21 ATOM 21 CA ASP A 15 -5.482 5.715 -6.021 0.00 0.00 +0.169 C BRANCH 21 22 ATOM 22 N ASP A 15 -5.137 4.426 -6.661 0.00 0.00 -0.302 N ATOM 23 H ASP A 15 -5.618 4.168 -7.508 0.00 0.00 +0.150 HD ATOM 24 C LEU A 14 -3.821 3.964 -6.598 0.00 0.00 +0.234 C ATOM 25 O LEU A 14 -3.052 4.292 -5.699 0.00 0.00 -0.274 OA BRANCH 24 26 ATOM 26 CA LEU A 14 -3.353 3.184 -7.848 0.00 0.00 +0.159 C BRANCH 26 27 ATOM 27 N LEU A 14 -4.314 2.134 -8.194 0.00 0.00 -0.303 N ATOM 28 H LEU A 14 -4.846 1.779 -7.385 0.00 0.00 +0.149 HD ATOM 29 C GLY A 13 -3.925 1.110 -9.056 0.00 0.00 +0.231 C ATOM 30 O GLY A 13 -2.879 1.130 -9.706 0.00 0.00 -0.274 OA BRANCH 29 31 ATOM 31 CA GLY A 13 -4.948 -0.028 -9.183 0.00 0.00 +0.200 C BRANCH 31 32 ATOM 32 N GLY A 13 -4.349 -1.278 -9.615 0.00 0.00 -0.305 N ATOM 33 H GLY A 13 -4.024 -1.316 -10.577 0.00 0.00 +0.149 HD ATOM 34 C MET A 12 -3.700 -2.081 -8.702 0.00 0.00 +0.234 C ATOM 35 O MET A 12 -3.497 -1.743 -7.538 0.00 0.00 -0.274 OA BRANCH 34 36 ATOM 36 CA MET A 12 -3.362 -3.495 -9.215 0.00 0.00 +0.160 C BRANCH 36 37 ATOM 37 N MET A 12 -2.509 -4.208 -8.258 0.00 0.00 -0.302 N ATOM 38 H MET A 12 -2.569 -3.905 -7.290 0.00 0.00 +0.150 HD ATOM 39 C GLU A 11 -1.865 -5.376 -8.616 0.00 0.00 +0.234 C ATOM 40 O GLU A 11 -1.725 -5.686 -9.799 0.00 0.00 -0.274 OA BRANCH 39 41 ATOM 41 CA GLU A 11 -1.302 -6.292 -7.486 0.00 0.00 +0.159 C BRANCH 41 42 ATOM 42 N GLU A 11 0.110 -6.029 -7.191 0.00 0.00 -0.302 N ATOM 43 H GLU A 11 0.543 -5.204 -7.596 0.00 0.00 +0.150 HD ATOM 44 C ILE A 10 0.897 -7.017 -6.624 0.00 0.00 +0.234 C ATOM 45 O ILE A 10 0.440 -8.107 -6.282 0.00 0.00 -0.274 OA BRANCH 44 46 ATOM 46 CA ILE A 10 2.407 -6.691 -6.431 0.00 0.00 +0.162 C BRANCH 46 47 ATOM 47 N ILE A 10 2.931 -7.728 -5.520 0.00 0.00 -0.302 N ATOM 48 H ILE A 10 2.400 -8.601 -5.568 0.00 0.00 +0.150 HD ATOM 49 C VAL A 9 3.582 -7.642 -4.318 0.00 0.00 +0.234 C ATOM 50 O VAL A 9 3.551 -8.627 -3.572 0.00 0.00 -0.274 OA BRANCH 49 51 ATOM 51 CA VAL A 9 4.452 -6.406 -3.999 0.00 0.00 +0.161 C BRANCH 51 52 ATOM 52 N VAL A 9 4.664 -6.199 -2.556 0.00 0.00 -0.302 N ATOM 53 H VAL A 9 5.579 -5.862 -2.288 0.00 0.00 +0.150 HD ATOM 54 C LEU A 8 3.643 -5.877 -1.690 0.00 0.00 +0.234 C ATOM 55 O LEU A 8 2.453 -5.909 -1.987 0.00 0.00 -0.274 OA BRANCH 54 56 ATOM 56 CA LEU A 8 4.139 -5.437 -0.285 0.00 0.00 +0.159 C BRANCH 56 57 ATOM 57 N LEU A 8 3.265 -4.335 0.131 0.00 0.00 -0.302 N ATOM 58 H LEU A 8 2.464 -4.559 0.715 0.00 0.00 +0.150 HD ATOM 59 C SER A 7 3.350 -3.083 -0.435 0.00 0.00 +0.236 C ATOM 60 O SER A 7 4.234 -2.802 -1.246 0.00 0.00 -0.274 OA BRANCH 59 61 ATOM 61 CA SER A 7 2.313 -2.084 0.084 0.00 0.00 +0.184 C BRANCH 61 62 ATOM 62 N SER A 7 2.936 -1.205 1.058 0.00 0.00 -0.301 N ATOM 63 H SER A 7 3.671 -0.584 0.732 0.00 0.00 +0.150 HD ATOM 64 C MET A 6 2.798 -1.379 2.423 0.00 0.00 +0.234 C ATOM 65 O MET A 6 2.163 -2.321 2.903 0.00 0.00 -0.274 OA BRANCH 64 66 ATOM 66 CA MET A 6 3.634 -0.366 3.242 0.00 0.00 +0.160 C BRANCH 66 67 ATOM 67 N MET A 6 3.563 0.979 2.664 0.00 0.00 -0.302 N ATOM 68 H MET A 6 2.663 1.458 2.696 0.00 0.00 +0.150 HD ATOM 69 C LEU A 5 4.637 1.542 2.023 0.00 0.00 +0.234 C ATOM 70 O LEU A 5 5.650 0.886 1.763 0.00 0.00 -0.274 OA BRANCH 69 71 ATOM 71 CA LEU A 5 4.495 3.028 1.648 0.00 0.00 +0.159 C BRANCH 71 72 ATOM 72 N LEU A 5 5.835 3.510 1.293 0.00 0.00 -0.302 N ATOM 73 H LEU A 5 6.334 2.955 0.596 0.00 0.00 +0.150 HD ATOM 74 C VAL A 4 6.586 4.259 2.176 0.00 0.00 +0.234 C ATOM 75 O VAL A 4 6.082 4.817 3.153 0.00 0.00 -0.274 OA BRANCH 74 76 ATOM 76 CA VAL A 4 8.105 4.279 1.889 0.00 0.00 +0.161 C BRANCH 76 77 ATOM 77 N VAL A 4 8.511 2.894 2.146 0.00 0.00 -0.302 N ATOM 78 H VAL A 4 7.961 2.157 1.711 0.00 0.00 +0.150 HD ATOM 79 C GLU A 3 9.377 2.547 3.169 0.00 0.00 +0.234 C ATOM 80 O GLU A 3 10.028 3.374 3.794 0.00 0.00 -0.274 OA BRANCH 79 81 ATOM 81 CA GLU A 3 9.261 1.046 3.597 0.00 0.00 +0.159 C BRANCH 81 82 ATOM 82 N GLU A 3 9.614 -0.026 2.656 0.00 0.00 -0.302 N ATOM 83 H GLU A 3 9.395 -0.927 3.057 0.00 0.00 +0.150 HD ATOM 84 C GLU A 2 9.404 0.071 1.294 0.00 0.00 +0.234 C ATOM 85 O GLU A 2 9.933 0.968 0.642 0.00 0.00 -0.274 OA BRANCH 84 86 ATOM 86 CA GLU A 2 8.397 -0.928 0.678 0.00 0.00 +0.159 C BRANCH 86 87 ATOM 87 N GLU A 2 8.596 -1.003 -0.750 0.00 0.00 -0.303 N ATOM 88 H GLU A 2 9.368 -1.544 -1.145 0.00 0.00 +0.149 HD ATOM 89 C ASP A 1 8.031 -0.093 -1.621 0.00 0.00 +0.231 C ATOM 90 O ASP A 1 7.319 0.845 -1.263 0.00 0.00 -0.274 OA BRANCH 89 91 ATOM 91 CA ASP A 1 8.335 -0.384 -3.108 0.00 0.00 +0.148 C BRANCH 91 92 ATOM 92 N ASP A 1 8.977 -1.725 -3.252 0.00 0.00 -0.320 NA ATOM 93 H1 ASP A 1 8.257 -2.414 -3.001 0.00 0.00 +0.119 HD ATOM 94 H2 ASP A 1 9.172 -1.895 -4.240 0.00 0.00 +0.119 HD ENDBRANCH 91 92 BRANCH 91 95 ATOM 95 CB ASP A 1 7.047 -0.278 -3.932 0.00 0.00 +0.148 C BRANCH 95 96 ATOM 96 CG ASP A 1 5.856 -0.913 -3.264 0.00 0.00 +0.307 C ATOM 97 OD1 ASP A 1 4.753 -0.406 -3.128 0.00 0.00 -0.251 OA BRANCH 96 98 ATOM 98 OD2 ASP A 1 6.126 -2.151 -2.799 0.00 0.00 -0.481 OA ATOM 99 HD2 ASP A 1 5.299 -2.374 -2.280 0.00 0.00 +0.295 HD ENDBRANCH 96 98 ENDBRANCH 95 96 ENDBRANCH 91 95 ENDBRANCH 89 91 ENDBRANCH 86 87 BRANCH 86 100 ATOM 100 CB GLU A 2 8.395 -2.343 1.278 0.00 0.00 +0.043 C BRANCH 100 101 ATOM 101 CG GLU A 2 7.268 -2.507 2.305 0.00 0.00 +0.123 C BRANCH 101 102 ATOM 102 CD GLU A 2 7.317 -3.871 2.934 0.00 0.00 +0.305 C ATOM 103 OE1 GLU A 2 8.280 -4.365 3.495 0.00 0.00 -0.251 OA BRANCH 102 104 ATOM 104 OE2 GLU A 2 6.168 -4.556 2.783 0.00 0.00 -0.481 OA ATOM 105 HE2 GLU A 2 6.327 -5.381 3.290 0.00 0.00 +0.295 HD ENDBRANCH 102 104 ENDBRANCH 101 102 ENDBRANCH 100 101 ENDBRANCH 86 100 ENDBRANCH 84 86 ENDBRANCH 81 82 BRANCH 81 106 ATOM 106 CB GLU A 3 10.031 0.792 4.917 0.00 0.00 +0.043 C BRANCH 106 107 ATOM 107 CG GLU A 3 9.286 1.276 6.162 0.00 0.00 +0.123 C BRANCH 107 108 ATOM 108 CD GLU A 3 8.041 0.479 6.421 0.00 0.00 +0.305 C ATOM 109 OE1 GLU A 3 7.708 -0.553 5.854 0.00 0.00 -0.251 OA BRANCH 108 110 ATOM 110 OE2 GLU A 3 7.292 1.018 7.394 0.00 0.00 -0.481 OA ATOM 111 HE2 GLU A 3 6.459 0.493 7.466 0.00 0.00 +0.295 HD ENDBRANCH 108 110 ENDBRANCH 107 108 ENDBRANCH 106 107 ENDBRANCH 81 106 ENDBRANCH 79 81 ENDBRANCH 76 77 BRANCH 76 112 ATOM 112 CB VAL A 4 8.495 4.744 0.469 0.00 0.00 +0.012 C ATOM 113 CG2 VAL A 4 10.020 4.708 0.302 0.00 0.00 +0.009 C ATOM 114 CG1 VAL A 4 7.995 6.165 0.195 0.00 0.00 +0.009 C ENDBRANCH 76 112 ENDBRANCH 74 76 ENDBRANCH 71 72 BRANCH 71 115 ATOM 115 CB LEU A 5 3.536 3.259 0.483 0.00 0.00 +0.034 C BRANCH 115 116 ATOM 116 CG LEU A 5 3.202 4.763 0.346 0.00 0.00 -0.015 C ATOM 117 CD2 LEU A 5 3.321 5.225 -1.104 0.00 0.00 +0.007 C ATOM 118 CD1 LEU A 5 1.807 5.057 0.893 0.00 0.00 +0.007 C ENDBRANCH 115 116 ENDBRANCH 71 115 ENDBRANCH 69 71 ENDBRANCH 66 67 BRANCH 66 119 ATOM 119 CB MET A 6 3.254 -0.333 4.728 0.00 0.00 +0.042 C BRANCH 119 120 ATOM 120 CG MET A 6 4.181 0.604 5.502 0.00 0.00 +0.071 C BRANCH 120 121 ATOM 121 SD MET A 6 4.071 0.422 7.310 0.00 0.00 -0.164 S ATOM 122 CE MET A 6 2.322 0.844 7.546 0.00 0.00 +0.084 C ENDBRANCH 120 121 ENDBRANCH 119 120 ENDBRANCH 66 119 ENDBRANCH 64 66 ENDBRANCH 61 62 BRANCH 61 123 ATOM 123 CB SER A 7 1.718 -1.291 -1.083 0.00 0.00 +0.187 C BRANCH 123 124 ATOM 124 OG SER A 7 0.554 -0.572 -0.677 0.00 0.00 -0.393 OA ATOM 125 H SER A 7 -0.002 -1.156 -0.130 0.00 0.00 +0.209 HD ENDBRANCH 123 124 ENDBRANCH 61 123 ENDBRANCH 59 61 ENDBRANCH 56 57 BRANCH 56 126 ATOM 126 CB LEU A 8 4.057 -6.557 0.756 0.00 0.00 +0.034 C BRANCH 126 127 ATOM 127 CG LEU A 8 5.287 -7.472 0.901 0.00 0.00 -0.015 C ATOM 128 CD2 LEU A 8 5.466 -8.411 -0.291 0.00 0.00 +0.007 C ATOM 129 CD1 LEU A 8 5.153 -8.296 2.188 0.00 0.00 +0.007 C ENDBRANCH 126 127 ENDBRANCH 56 126 ENDBRANCH 54 56 ENDBRANCH 51 52 BRANCH 51 130 ATOM 130 CB VAL A 9 5.817 -6.572 -4.724 0.00 0.00 +0.012 C ATOM 131 CG2 VAL A 9 6.719 -7.660 -4.116 0.00 0.00 +0.009 C ATOM 132 CG1 VAL A 9 6.577 -5.242 -4.783 0.00 0.00 +0.009 C ENDBRANCH 51 130 ENDBRANCH 49 51 ENDBRANCH 46 47 BRANCH 46 133 ATOM 133 CB ILE A 10 3.098 -6.671 -7.824 0.00 0.00 +0.015 C ATOM 134 CG2 ILE A 10 4.119 -5.529 -7.906 0.00 0.00 +0.010 C BRANCH 133 135 ATOM 135 CG1 ILE A 10 3.715 -8.028 -8.220 0.00 0.00 +0.002 C ATOM 136 CD1 ILE A 10 4.251 -8.074 -9.644 0.00 0.00 +0.004 C ENDBRANCH 133 135 ENDBRANCH 46 133 ENDBRANCH 44 46 ENDBRANCH 41 42 BRANCH 41 137 ATOM 137 CB GLU A 11 -2.156 -6.324 -6.213 0.00 0.00 +0.043 C BRANCH 137 138 ATOM 138 CG GLU A 11 -3.501 -7.021 -6.427 0.00 0.00 +0.123 C BRANCH 138 139 ATOM 139 CD GLU A 11 -4.307 -7.008 -5.157 0.00 0.00 +0.305 C ATOM 140 OE1 GLU A 11 -3.890 -6.794 -4.030 0.00 0.00 -0.251 OA BRANCH 139 141 ATOM 141 OE2 GLU A 11 -5.599 -7.314 -5.373 0.00 0.00 -0.481 OA ATOM 142 HE2 GLU A 11 -6.011 -7.303 -4.486 0.00 0.00 +0.295 HD ENDBRANCH 139 141 ENDBRANCH 138 139 ENDBRANCH 137 138 ENDBRANCH 41 137 ENDBRANCH 39 41 ENDBRANCH 36 37 BRANCH 36 143 ATOM 143 CB MET A 12 -4.686 -4.267 -9.450 0.00 0.00 +0.042 C BRANCH 143 144 ATOM 144 CG MET A 12 -5.674 -4.123 -8.277 0.00 0.00 +0.071 C BRANCH 144 145 ATOM 145 SD MET A 12 -7.040 -5.318 -8.408 0.00 0.00 -0.164 S ATOM 146 CE MET A 12 -7.849 -4.952 -6.826 0.00 0.00 +0.084 C ENDBRANCH 144 145 ENDBRANCH 143 144 ENDBRANCH 36 143 ENDBRANCH 34 36 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 26 27 BRANCH 26 147 ATOM 147 CB LEU A 14 -3.195 4.162 -9.038 0.00 0.00 +0.034 C BRANCH 147 148 ATOM 148 CG LEU A 14 -2.255 5.364 -8.789 0.00 0.00 -0.015 C ATOM 149 CD2 LEU A 14 -0.801 4.929 -8.615 0.00 0.00 +0.007 C ATOM 150 CD1 LEU A 14 -2.369 6.374 -9.934 0.00 0.00 +0.007 C ENDBRANCH 147 148 ENDBRANCH 26 147 ENDBRANCH 24 26 ENDBRANCH 21 22 BRANCH 21 151 ATOM 151 CB ASP A 15 -6.685 6.316 -6.742 0.00 0.00 +0.152 C BRANCH 151 152 ATOM 152 CG ASP A 15 -6.929 7.724 -6.290 0.00 0.00 +0.307 C ATOM 153 OD1 ASP A 15 -6.479 8.730 -6.799 0.00 0.00 -0.251 OA BRANCH 152 154 ATOM 154 OD2 ASP A 15 -7.693 7.756 -5.188 0.00 0.00 -0.481 OA ATOM 155 HD2 ASP A 15 -7.725 8.680 -4.862 0.00 0.00 +0.295 HD ENDBRANCH 152 154 ENDBRANCH 151 152 ENDBRANCH 21 151 ENDBRANCH 19 21 ENDBRANCH 16 17 BRANCH 16 156 ATOM 156 CB ARG A 16 -6.349 3.980 -1.917 0.00 0.00 +0.033 C BRANCH 156 157 ATOM 157 CG ARG A 16 -6.046 2.785 -2.833 0.00 0.00 +0.023 C BRANCH 157 158 ATOM 158 CD ARG A 16 -7.248 2.096 -3.459 0.00 0.00 +0.115 C BRANCH 158 159 ATOM 159 NE ARG A 16 -6.894 1.472 -4.734 0.00 0.00 -0.356 N ATOM 160 HE ARG A 16 -6.921 2.153 -5.487 0.00 0.00 +0.162 HD BRANCH 159 161 ATOM 161 CZ ARG A 16 -5.835 0.663 -4.951 0.00 0.00 +0.188 C ATOM 162 NH1 ARG A 16 -5.164 0.817 -6.038 0.00 0.00 -0.269 NA ATOM 163 HH1 ARG A 16 -4.413 0.107 -6.054 0.00 0.00 +0.190 HD BRANCH 161 164 ATOM 164 NH2 ARG A 16 -5.586 -0.285 -4.037 0.00 0.00 -0.370 N ATOM 165 HH21 ARG A 16 -4.691 -0.761 -4.036 0.00 0.00 +0.159 HD ATOM 166 HH22 ARG A 16 -6.030 -0.162 -3.132 0.00 0.00 +0.159 HD ENDBRANCH 161 164 ENDBRANCH 159 161 ENDBRANCH 158 159 ENDBRANCH 157 158 ENDBRANCH 156 157 ENDBRANCH 16 156 ENDBRANCH 14 16 ENDBRANCH 11 12 BRANCH 11 167 ATOM 167 CB ILE A 17 -7.903 8.499 0.449 0.00 0.00 +0.015 C ATOM 168 CG2 ILE A 17 -8.517 8.524 1.857 0.00 0.00 +0.010 C BRANCH 167 170 ATOM 169 CD1 ILE A 17 -9.055 10.582 -0.475 0.00 0.00 +0.004 C ATOM 170 CG1 ILE A 17 -7.730 9.927 -0.106 0.00 0.00 +0.002 C ENDBRANCH 167 170 ENDBRANCH 11 167 ENDBRANCH 7 11 ENDBRANCH 6 8 BRANCH 6 171 ATOM 171 CB LYS A 18 -5.541 7.263 4.728 0.00 0.00 +0.032 C BRANCH 171 172 ATOM 172 CG LYS A 18 -5.891 7.744 6.149 0.00 0.00 +0.003 C BRANCH 172 173 ATOM 173 CD LYS A 18 -5.907 6.625 7.190 0.00 0.00 +0.015 C BRANCH 173 174 ATOM 174 CE LYS A 18 -4.592 6.579 7.970 0.00 0.00 +0.077 C BRANCH 174 175 ATOM 175 NZ LYS A 18 -4.663 5.599 9.048 0.00 0.00 -0.330 NA ATOM 176 HZ1 LYS A 18 -3.802 5.649 9.597 0.00 0.00 +0.118 HD ATOM 177 HZ2 LYS A 18 -5.407 5.867 9.691 0.00 0.00 +0.118 HD ENDBRANCH 174 175 ENDBRANCH 173 174 ENDBRANCH 172 173 ENDBRANCH 171 172 ENDBRANCH 6 171 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 178 ATOM 178 C GLU A 19 -0.469 8.087 4.680 0.00 0.00 +0.234 C ATOM 179 N LEU A 20 -0.033 6.938 5.321 0.00 0.00 -0.302 N ATOM 180 H LEU A 20 -0.489 6.607 6.161 0.00 0.00 +0.150 HD ATOM 181 O GLU A 19 -0.087 8.375 3.550 0.00 0.00 -0.274 OA BRANCH 179 182 ATOM 182 CA LEU A 20 0.908 6.008 4.697 0.00 0.00 +0.159 C BRANCH 182 183 ATOM 183 C LEU A 20 0.276 4.599 4.717 0.00 0.00 +0.237 C ATOM 184 N PRO A 21 -0.630 4.319 3.715 0.00 0.00 -0.288 N ATOM 185 CA PRO A 21 -1.376 3.066 3.730 0.00 0.00 +0.162 C ATOM 186 CB PRO A 21 -2.515 3.268 2.730 0.00 0.00 +0.033 C ATOM 187 CG PRO A 21 -2.076 4.450 1.879 0.00 0.00 +0.021 C ATOM 188 CD PRO A 21 -1.280 5.293 2.844 0.00 0.00 +0.109 C ATOM 189 O LEU A 20 0.507 3.798 5.627 0.00 0.00 -0.274 OA BRANCH 185 190 ATOM 190 C PRO A 21 -0.535 1.789 3.443 0.00 0.00 +0.234 C ATOM 191 N GLU A 22 -1.294 0.641 3.589 0.00 0.00 -0.302 N ATOM 192 H GLU A 22 -2.304 0.704 3.634 0.00 0.00 +0.150 HD ATOM 193 O PRO A 21 0.669 1.774 3.196 0.00 0.00 -0.274 OA BRANCH 191 194 ATOM 194 CA GLU A 22 -0.735 -0.677 3.881 0.00 0.00 +0.159 C BRANCH 194 195 ATOM 195 C GLU A 22 -1.341 -1.688 2.886 0.00 0.00 +0.234 C ATOM 196 N LEU A 23 -0.647 -2.878 2.793 0.00 0.00 -0.302 N ATOM 197 H LEU A 23 0.315 -2.904 3.133 0.00 0.00 +0.150 HD ATOM 198 O GLU A 22 -2.364 -1.453 2.236 0.00 0.00 -0.274 OA BRANCH 196 199 ATOM 199 CA LEU A 23 -1.295 -4.093 2.284 0.00 0.00 +0.159 C BRANCH 199 200 ATOM 200 C LEU A 23 -1.042 -5.283 3.246 0.00 0.00 +0.234 C ATOM 201 N TRP A 24 0.263 -5.462 3.689 0.00 0.00 -0.302 N ATOM 202 H TRP A 24 0.993 -4.840 3.376 0.00 0.00 +0.150 HD ATOM 203 O LEU A 23 -1.933 -6.090 3.512 0.00 0.00 -0.274 OA BRANCH 201 204 ATOM 204 CA TRP A 24 0.627 -6.699 4.394 0.00 0.00 +0.163 C BRANCH 204 205 ATOM 205 C TRP A 24 1.300 -6.511 5.765 0.00 0.00 +0.234 C ATOM 206 N LEU A 25 2.247 -5.498 5.844 0.00 0.00 -0.302 N ATOM 207 H LEU A 25 2.005 -4.636 5.376 0.00 0.00 +0.150 HD ATOM 208 O TRP A 24 1.178 -7.361 6.646 0.00 0.00 -0.274 OA BRANCH 206 209 ATOM 209 CA LEU A 25 2.994 -5.316 7.098 0.00 0.00 +0.159 C BRANCH 209 210 ATOM 210 C LEU A 25 2.752 -3.882 7.609 0.00 0.00 +0.234 C ATOM 211 N GLY A 26 3.060 -3.703 8.942 0.00 0.00 -0.305 N ATOM 212 H GLY A 26 2.988 -4.527 9.532 0.00 0.00 +0.149 HD ATOM 213 O LEU A 25 2.376 -2.981 6.860 0.00 0.00 -0.274 OA BRANCH 211 214 ATOM 214 CA GLY A 26 2.752 -2.458 9.629 0.00 0.00 +0.200 C BRANCH 214 215 ATOM 215 C GLY A 26 1.452 -2.602 10.427 0.00 0.00 +0.231 C ATOM 216 N GLN A 27 0.956 -1.407 10.899 0.00 0.00 -0.303 N ATOM 217 H GLN A 27 1.298 -0.569 10.423 0.00 0.00 +0.149 HD ATOM 218 O GLY A 26 0.949 -3.700 10.669 0.00 0.00 -0.274 OA BRANCH 216 219 ATOM 219 CA GLN A 27 -0.440 -1.311 11.334 0.00 0.00 +0.159 C BRANCH 219 220 ATOM 220 C GLN A 27 -1.226 -0.702 10.155 0.00 0.00 +0.234 C ATOM 221 N ASN A 28 -2.534 -0.337 10.415 0.00 0.00 -0.302 N ATOM 222 H ASN A 28 -2.683 0.497 9.844 0.00 0.00 +0.150 HD ATOM 223 O GLN A 27 -0.790 -0.655 8.998 0.00 0.00 -0.274 OA BRANCH 221 224 ATOM 224 CA ASN A 28 -3.517 -1.368 9.998 0.00 0.00 +0.168 C BRANCH 224 225 ATOM 225 C ASN A 28 -4.029 -0.978 8.603 0.00 0.00 +0.234 C ATOM 226 N GLU A 29 -4.878 0.118 8.587 0.00 0.00 -0.302 N ATOM 227 H GLU A 29 -5.092 0.589 9.454 0.00 0.00 +0.150 HD ATOM 228 O ASN A 28 -3.631 -1.536 7.582 0.00 0.00 -0.274 OA BRANCH 226 229 ATOM 229 CA GLU A 29 -5.217 0.810 7.349 0.00 0.00 +0.159 C BRANCH 229 230 ATOM 230 C GLU A 29 -5.941 -0.056 6.291 0.00 0.00 +0.234 C ATOM 231 N PHE A 30 -6.226 0.638 5.136 0.00 0.00 -0.302 N ATOM 232 H PHE A 30 -6.058 1.641 5.094 0.00 0.00 +0.150 HD ATOM 233 O GLU A 29 -6.291 -1.217 6.464 0.00 0.00 -0.274 OA BRANCH 231 234 ATOM 234 CA PHE A 30 -6.364 -0.001 3.826 0.00 0.00 +0.163 C BRANCH 234 235 ATOM 235 C PHE A 30 -6.250 1.166 2.822 0.00 0.00 +0.234 C ATOM 236 N ASP A 31 -6.215 0.922 1.485 0.00 0.00 -0.302 N ATOM 237 H ASP A 31 -6.274 1.823 1.008 0.00 0.00 +0.150 HD ATOM 238 O PHE A 30 -6.205 2.343 3.213 0.00 0.00 -0.274 OA BRANCH 236 239 ATOM 239 CA ASP A 31 -5.208 0.060 0.852 0.00 0.00 +0.169 C BRANCH 239 240 ATOM 240 C ASP A 31 -4.276 1.062 0.101 0.00 0.00 +0.234 C ATOM 241 N PHE A 32 -3.292 0.525 -0.684 0.00 0.00 -0.302 N ATOM 242 H PHE A 32 -3.120 -0.480 -0.703 0.00 0.00 +0.150 HD ATOM 243 O ASP A 31 -4.450 2.278 0.173 0.00 0.00 -0.274 OA BRANCH 241 244 ATOM 244 CA PHE A 32 -2.598 1.315 -1.718 0.00 0.00 +0.163 C BRANCH 244 245 ATOM 245 C PHE A 32 -2.119 0.286 -2.762 0.00 0.00 +0.234 C ATOM 246 N MET A 33 -1.490 0.763 -3.880 0.00 0.00 -0.302 N ATOM 247 H MET A 33 -1.383 1.777 -4.000 0.00 0.00 +0.150 HD ATOM 248 O PHE A 32 -2.364 -0.915 -2.605 0.00 0.00 -0.274 OA BRANCH 246 249 ATOM 249 CA MET A 33 -0.654 -0.064 -4.751 0.00 0.00 +0.160 C BRANCH 249 250 ATOM 250 C MET A 33 0.024 0.845 -5.796 0.00 0.00 +0.234 C ATOM 251 N THR A 34 1.016 0.241 -6.550 0.00 0.00 -0.300 N ATOM 252 H THR A 34 1.443 -0.596 -6.154 0.00 0.00 +0.150 HD ATOM 253 O MET A 33 -0.280 2.025 -5.928 0.00 0.00 -0.274 OA BRANCH 251 254 ATOM 254 CA THR A 34 1.957 1.093 -7.292 0.00 0.00 +0.187 C BRANCH 254 255 ATOM 255 C THR A 34 2.404 0.449 -8.621 0.00 0.00 +0.236 C ATOM 256 N ASP A 35 1.643 -0.605 -9.066 0.00 0.00 -0.302 N ATOM 257 H ASP A 35 0.815 -0.852 -8.531 0.00 0.00 +0.150 HD ATOM 258 O THR A 34 3.344 0.884 -9.289 0.00 0.00 -0.274 OA BRANCH 256 259 ATOM 259 CA ASP A 35 2.166 -1.552 -10.063 0.00 0.00 +0.169 C BRANCH 259 260 ATOM 260 C ASP A 35 1.993 -1.110 -11.537 0.00 0.00 +0.235 C ATOM 261 N PHE A 36 2.153 0.240 -11.785 0.00 0.00 -0.301 N ATOM 262 H PHE A 36 2.473 0.806 -10.998 0.00 0.00 +0.150 HD ATOM 263 O ASP A 35 1.893 -1.920 -12.459 0.00 0.00 -0.274 OA BRANCH 261 264 ATOM 264 CA PHE A 36 2.582 0.697 -13.107 0.00 0.00 +0.186 C BRANCH 264 265 ATOM 265 C PHE A 36 1.593 0.337 -14.227 0.00 0.00 +0.326 C ATOM 266 O PHE A 36 0.367 0.359 -14.174 0.00 0.00 -0.249 OA BRANCH 265 267 ATOM 267 OXT PHE A 36 2.177 0.008 -15.400 0.00 0.00 -0.479 OA ATOM 268 HXT PHE A 36 1.411 -0.199 -15.979 0.00 0.00 +0.295 HD ENDBRANCH 265 267 ENDBRANCH 264 265 BRANCH 264 269 ATOM 269 CB PHE A 36 4.055 0.283 -13.365 0.00 0.00 +0.069 C BRANCH 269 270 ATOM 270 CG PHE A 36 4.964 1.491 -13.425 0.00 0.00 -0.045 A ATOM 271 CD2 PHE A 36 5.442 2.079 -12.243 0.00 0.00 +0.004 A ATOM 272 CE2 PHE A 36 6.274 3.195 -12.297 0.00 0.00 +0.000 A ATOM 273 CZ PHE A 36 6.628 3.740 -13.527 0.00 0.00 +0.000 A ATOM 274 CE1 PHE A 36 6.140 3.176 -14.710 0.00 0.00 +0.000 A ATOM 275 CD1 PHE A 36 5.310 2.057 -14.658 0.00 0.00 +0.004 A ENDBRANCH 269 270 ENDBRANCH 264 269 ENDBRANCH 261 264 ENDBRANCH 259 260 BRANCH 259 276 ATOM 276 CB ASP A 35 1.554 -2.939 -9.885 0.00 0.00 +0.152 C BRANCH 276 277 ATOM 277 CG ASP A 35 2.397 -3.978 -10.575 0.00 0.00 +0.307 C ATOM 278 OD1 ASP A 35 3.600 -3.935 -10.749 0.00 0.00 -0.251 OA BRANCH 277 279 ATOM 279 OD2 ASP A 35 1.681 -5.069 -10.897 0.00 0.00 -0.481 OA ATOM 280 HD2 ASP A 35 2.271 -5.632 -11.438 0.00 0.00 +0.295 HD ENDBRANCH 277 279 ENDBRANCH 276 277 ENDBRANCH 259 276 ENDBRANCH 256 259 ENDBRANCH 254 255 BRANCH 254 281 ATOM 281 CB THR A 34 3.227 1.360 -6.450 0.00 0.00 +0.141 C ATOM 282 CG2 THR A 34 2.982 2.229 -5.227 0.00 0.00 +0.040 C BRANCH 281 283 ATOM 283 OG1 THR A 34 3.728 0.095 -5.995 0.00 0.00 -0.390 OA ATOM 284 HG1 THR A 34 4.662 0.246 -5.757 0.00 0.00 +0.210 HD ENDBRANCH 281 283 ENDBRANCH 254 281 ENDBRANCH 251 254 ENDBRANCH 249 250 BRANCH 249 285 ATOM 285 CB MET A 33 -1.440 -1.185 -5.442 0.00 0.00 +0.042 C BRANCH 285 286 ATOM 286 CG MET A 33 -1.172 -2.561 -4.848 0.00 0.00 +0.071 C BRANCH 286 287 ATOM 287 SD MET A 33 0.497 -3.164 -5.239 0.00 0.00 -0.164 S ATOM 288 CE MET A 33 0.578 -4.449 -3.960 0.00 0.00 +0.084 C ENDBRANCH 286 287 ENDBRANCH 285 286 ENDBRANCH 249 285 ENDBRANCH 246 249 ENDBRANCH 244 245 BRANCH 244 289 ATOM 289 CB PHE A 32 -1.443 2.135 -1.129 0.00 0.00 +0.067 C BRANCH 289 290 ATOM 290 CG PHE A 32 -1.077 3.358 -1.937 0.00 0.00 -0.045 A ATOM 291 CD2 PHE A 32 -1.968 4.431 -2.048 0.00 0.00 +0.004 A ATOM 292 CE2 PHE A 32 -1.667 5.530 -2.845 0.00 0.00 +0.000 A ATOM 293 CZ PHE A 32 -0.471 5.562 -3.561 0.00 0.00 +0.000 A ATOM 294 CE1 PHE A 32 0.426 4.508 -3.452 0.00 0.00 +0.000 A ATOM 295 CD1 PHE A 32 0.134 3.413 -2.639 0.00 0.00 +0.004 A ENDBRANCH 289 290 ENDBRANCH 244 289 ENDBRANCH 241 244 ENDBRANCH 239 240 BRANCH 239 296 ATOM 296 CB ASP A 31 -5.788 -0.916 -0.170 0.00 0.00 +0.152 C BRANCH 296 297 ATOM 297 CG ASP A 31 -7.217 -1.312 0.042 0.00 0.00 +0.307 C ATOM 298 OD1 ASP A 31 -7.601 -2.400 0.436 0.00 0.00 -0.251 OA BRANCH 297 299 ATOM 299 OD2 ASP A 31 -8.082 -0.337 -0.288 0.00 0.00 -0.481 OA ATOM 300 HD2 ASP A 31 -8.954 -0.685 0.007 0.00 0.00 +0.295 HD ENDBRANCH 297 299 ENDBRANCH 296 297 ENDBRANCH 239 296 ENDBRANCH 236 239 ENDBRANCH 234 235 BRANCH 234 301 ATOM 301 CB PHE A 30 -7.629 -0.857 3.663 0.00 0.00 +0.067 C BRANCH 301 302 ATOM 302 CG PHE A 30 -8.968 -0.196 3.401 0.00 0.00 -0.045 A ATOM 303 CD2 PHE A 30 -9.957 -0.945 2.735 0.00 0.00 +0.004 A ATOM 304 CE2 PHE A 30 -11.224 -0.419 2.505 0.00 0.00 +0.000 A ATOM 305 CZ PHE A 30 -11.534 0.868 2.944 0.00 0.00 +0.000 A ATOM 306 CE1 PHE A 30 -10.572 1.621 3.613 0.00 0.00 +0.000 A ATOM 307 CD1 PHE A 30 -9.304 1.089 3.853 0.00 0.00 +0.004 A ENDBRANCH 301 302 ENDBRANCH 234 301 ENDBRANCH 231 234 ENDBRANCH 229 230 BRANCH 229 308 ATOM 308 CB GLU A 29 -3.983 1.545 6.785 0.00 0.00 +0.043 C BRANCH 308 309 ATOM 309 CG GLU A 29 -3.763 2.871 7.503 0.00 0.00 +0.123 C BRANCH 309 310 ATOM 310 CD GLU A 29 -2.351 2.994 7.971 0.00 0.00 +0.305 C ATOM 311 OE1 GLU A 29 -1.877 2.370 8.908 0.00 0.00 -0.251 OA BRANCH 310 312 ATOM 312 OE2 GLU A 29 -1.643 3.842 7.206 0.00 0.00 -0.481 OA ATOM 313 HE2 GLU A 29 -0.690 3.657 7.396 0.00 0.00 +0.295 HD ENDBRANCH 310 312 ENDBRANCH 309 310 ENDBRANCH 308 309 ENDBRANCH 229 308 ENDBRANCH 226 229 ENDBRANCH 224 225 BRANCH 224 314 ATOM 314 CB ASN A 28 -4.679 -1.503 10.981 0.00 0.00 +0.127 C BRANCH 314 315 ATOM 315 CG ASN A 28 -4.405 -2.570 12.018 0.00 0.00 +0.213 C ATOM 316 OD1 ASN A 28 -3.289 -2.982 12.311 0.00 0.00 -0.276 OA ATOM 317 ND2 ASN A 28 -5.510 -3.016 12.681 0.00 0.00 -0.329 N ATOM 318 HD21 ASN A 28 -6.310 -2.404 12.817 0.00 0.00 +0.145 HD ATOM 319 HD22 ASN A 28 -5.325 -3.657 13.441 0.00 0.00 +0.145 HD ENDBRANCH 314 315 ENDBRANCH 224 314 ENDBRANCH 221 224 ENDBRANCH 219 220 BRANCH 219 320 ATOM 320 CB GLN A 27 -0.570 -0.547 12.665 0.00 0.00 +0.041 C BRANCH 320 321 ATOM 321 CG GLN A 27 -0.313 0.961 12.620 0.00 0.00 +0.098 C BRANCH 321 322 ATOM 322 CD GLN A 27 1.071 1.311 12.119 0.00 0.00 +0.211 C ATOM 323 OE1 GLN A 27 1.273 1.496 10.930 0.00 0.00 -0.276 OA ATOM 324 NE2 GLN A 27 2.050 1.330 13.071 0.00 0.00 -0.329 N ATOM 325 HE21 GLN A 27 2.975 1.611 12.774 0.00 0.00 +0.145 HD ATOM 326 HE22 GLN A 27 1.851 1.312 14.061 0.00 0.00 +0.145 HD ENDBRANCH 321 322 ENDBRANCH 320 321 ENDBRANCH 219 320 ENDBRANCH 216 219 ENDBRANCH 214 215 ENDBRANCH 211 214 ENDBRANCH 209 210 BRANCH 209 327 ATOM 327 CB LEU A 25 4.504 -5.528 6.881 0.00 0.00 +0.034 C BRANCH 327 328 ATOM 328 CG LEU A 25 4.912 -6.939 6.420 0.00 0.00 -0.015 C ATOM 329 CD2 LEU A 25 6.427 -6.979 6.180 0.00 0.00 +0.007 C ATOM 330 CD1 LEU A 25 4.535 -8.025 7.427 0.00 0.00 +0.007 C ENDBRANCH 327 328 ENDBRANCH 209 327 ENDBRANCH 206 209 ENDBRANCH 204 205 BRANCH 204 331 ATOM 331 CB TRP A 24 1.574 -7.564 3.543 0.00 0.00 +0.069 C BRANCH 331 332 ATOM 332 CG TRP A 24 0.880 -8.533 2.655 0.00 0.00 -0.020 A ATOM 333 CD2 TRP A 24 0.312 -9.788 3.062 0.00 0.00 +0.003 A ATOM 334 CE2 TRP A 24 -0.167 -10.425 1.917 0.00 0.00 +0.047 A ATOM 335 CZ2 TRP A 24 -0.764 -11.694 1.955 0.00 0.00 +0.026 A ATOM 336 CH2 TRP A 24 -0.880 -12.320 3.193 0.00 0.00 +0.002 A ATOM 337 CZ3 TRP A 24 -0.426 -11.701 4.359 0.00 0.00 +0.001 A ATOM 338 NE1 TRP A 24 0.059 -9.578 0.859 0.00 0.00 -0.360 N ATOM 339 HE1 TRP A 24 -0.182 -9.783 -0.103 0.00 0.00 +0.165 HD ATOM 340 CE3 TRP A 24 0.185 -10.443 4.303 0.00 0.00 +0.010 A ATOM 341 CD1 TRP A 24 0.682 -8.431 1.284 0.00 0.00 +0.087 A ENDBRANCH 331 332 ENDBRANCH 204 331 ENDBRANCH 201 204 ENDBRANCH 199 200 BRANCH 199 342 ATOM 342 CB LEU A 23 -0.812 -4.406 0.857 0.00 0.00 +0.034 C BRANCH 342 343 ATOM 343 CG LEU A 23 -1.883 -4.937 -0.117 0.00 0.00 -0.015 C ATOM 344 CD2 LEU A 23 -2.555 -6.220 0.359 0.00 0.00 +0.007 C ATOM 345 CD1 LEU A 23 -2.935 -3.871 -0.437 0.00 0.00 +0.007 C ENDBRANCH 342 343 ENDBRANCH 199 342 ENDBRANCH 196 199 ENDBRANCH 194 195 BRANCH 194 346 ATOM 346 CB GLU A 22 -1.044 -0.967 5.363 0.00 0.00 +0.043 C BRANCH 346 347 ATOM 347 CG GLU A 22 -0.658 -2.341 5.903 0.00 0.00 +0.123 C BRANCH 347 348 ATOM 348 CD GLU A 22 -1.778 -3.339 5.768 0.00 0.00 +0.305 C ATOM 349 OE1 GLU A 22 -2.744 -3.258 5.039 0.00 0.00 -0.251 OA BRANCH 348 350 ATOM 350 OE2 GLU A 22 -1.534 -4.457 6.482 0.00 0.00 -0.481 OA ATOM 351 HE2 GLU A 22 -2.317 -5.026 6.295 0.00 0.00 +0.295 HD ENDBRANCH 348 350 ENDBRANCH 347 348 ENDBRANCH 346 347 ENDBRANCH 194 346 ENDBRANCH 191 194 ENDBRANCH 185 190 ENDBRANCH 182 183 BRANCH 182 352 ATOM 352 CB LEU A 20 2.328 6.036 5.303 0.00 0.00 +0.034 C BRANCH 352 353 ATOM 353 CG LEU A 20 2.492 6.451 6.776 0.00 0.00 -0.015 C ATOM 354 CD2 LEU A 20 1.837 5.491 7.768 0.00 0.00 +0.007 C ATOM 355 CD1 LEU A 20 3.982 6.571 7.103 0.00 0.00 +0.007 C ENDBRANCH 352 353 ENDBRANCH 182 352 ENDBRANCH 179 182 ENDBRANCH 1 178 BRANCH 1 356 ATOM 356 CB GLU A 19 -1.433 8.923 6.944 0.00 0.00 +0.043 C BRANCH 356 357 ATOM 357 CG GLU A 19 -0.144 9.583 7.441 0.00 0.00 +0.123 C BRANCH 357 358 ATOM 358 CD GLU A 19 0.336 8.949 8.721 0.00 0.00 +0.305 C ATOM 359 OE1 GLU A 19 -0.326 8.262 9.483 0.00 0.00 -0.251 OA BRANCH 358 360 ATOM 360 OE2 GLU A 19 1.633 9.213 8.967 0.00 0.00 -0.481 OA ATOM 361 HE2 GLU A 19 1.853 8.747 9.800 0.00 0.00 +0.295 HD ENDBRANCH 358 360 ENDBRANCH 357 358 ENDBRANCH 356 357 ENDBRANCH 1 356 TORSDOF 163