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*** ***elNémo ID: 2503181250383276600Job options:ID = 2503181250383276600 JOBID = USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:REMARK 4 COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 REMARK 888 REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) TITLE Displayed atoms MODEL 1 ATOM 1 N LYS A 1 1.192 19.713 22.061 1.00 17.06 N1+ ATOM 2 CA LYS A 1 1.945 20.614 21.171 1.00 18.25 C ATOM 3 C LYS A 1 3.147 19.882 20.574 1.00 16.14 C ATOM 4 O LYS A 1 3.919 19.274 21.313 1.00 16.16 O ATOM 5 CB LYS A 1 2.396 21.867 21.956 1.00 24.42 C ATOM 6 CG LYS A 1 3.283 22.858 21.183 1.00 26.69 C ATOM 7 CD LYS A 1 3.600 24.113 22.004 1.00 23.93 C ATOM 8 CE LYS A 1 4.495 25.086 21.231 1.00 26.10 C ATOM 9 NZ LYS A 1 4.811 26.280 22.029 1.00 38.54 N1+ ATOM 10 H1 LYS A 1 0.472 20.233 22.551 1.00 0.00 H ATOM 11 H2 LYS A 1 0.778 18.964 21.526 1.00 0.00 H ATOM 12 H3 LYS A 1 1.828 19.325 22.747 1.00 0.00 H ATOM 13 HZ1 LYS A 1 5.372 26.897 21.447 1.00 0.00 H ATOM 14 HZ2 LYS A 1 3.960 26.752 22.296 1.00 0.00 H ATOM 15 HZ3 LYS A 1 5.336 26.016 22.849 1.00 0.00 H ATOM 16 N VAL A 2 3.340 20.014 19.253 1.00 15.22 N ATOM 17 CA VAL A 2 4.591 19.694 18.569 1.00 14.66 C ATOM 18 C VAL A 2 5.300 21.039 18.366 1.00 14.54 C ATOM 19 O VAL A 2 4.792 21.910 17.657 1.00 17.31 O ATOM 20 CB VAL A 2 4.304 19.011 17.204 1.00 18.09 C ATOM 21 CG1 VAL A 2 5.602 18.674 16.441 1.00 20.30 C ATOM 22 CG2 VAL A 2 3.470 17.728 17.375 1.00 21.91 C ATOM 23 H VAL A 2 2.658 20.530 18.716 1.00 0.00 H ATOM 24 N PHE A 3 6.472 21.198 18.995 1.00 13.22 N ATOM 25 CA PHE A 3 7.315 22.380 18.854 1.00 12.29 C ATOM 26 C PHE A 3 8.095 22.308 17.536 1.00 13.94 C ATOM 27 O PHE A 3 8.519 21.235 17.102 1.00 16.04 O ATOM 28 CB PHE A 3 8.367 22.416 19.982 1.00 13.14 C ATOM 29 CG PHE A 3 7.910 22.938 21.327 1.00 12.43 C ATOM 30 CD1 PHE A 3 7.158 22.120 22.195 1.00 14.74 C ATOM 31 CD2 PHE A 3 8.284 24.235 21.735 1.00 14.77 C ATOM 32 CE1 PHE A 3 6.787 22.604 23.464 1.00 16.85 C ATOM 33 CE2 PHE A 3 7.916 24.714 23.005 1.00 16.48 C ATOM 34 CZ PHE A 3 7.166 23.896 23.872 1.00 16.12 C ATOM 35 H PHE A 3 6.827 20.435 19.557 1.00 0.00 H ATOM 36 N GLU A 4 8.361 23.490 16.965 1.00 14.86 N ATOM 37 CA GLU A 4 9.380 23.696 15.942 1.00 16.55 C ATOM 38 C GLU A 4 10.756 23.702 16.637 1.00 14.12 C ATOM 39 O GLU A 4 10.858 24.061 17.811 1.00 14.27 O ATOM 40 CB GLU A 4 9.120 25.055 15.262 1.00 21.19 C ATOM 41 CG GLU A 4 7.793 25.069 14.474 1.00 34.01 C ATOM 42 CD GLU A 4 7.491 26.435 13.861 1.00 39.62 C ATOM 43 OE1 GLU A 4 8.289 26.862 12.998 1.00 49.70 O ATOM 44 OE2 GLU A 4 6.465 27.026 14.260 1.00 48.74 O1- ATOM 45 H GLU A 4 7.960 24.320 17.385 1.00 0.00 H ATOM 46 N ARG A 5 11.806 23.262 15.924 1.00 13.42 N ATOM 47 CA ARG A 5 13.169 23.056 16.429 1.00 13.70 C ATOM 48 C ARG A 5 13.741 24.248 17.219 1.00 11.54 C ATOM 49 O ARG A 5 14.134 24.094 18.374 1.00 12.11 O ATOM 50 CB ARG A 5 14.076 22.624 15.258 1.00 14.12 C ATOM 51 CG ARG A 5 15.552 22.376 15.627 1.00 16.72 C ATOM 52 CD ARG A 5 16.395 21.918 14.430 1.00 19.34 C ATOM 53 NE ARG A 5 16.574 23.004 13.453 1.00 20.28 N ATOM 54 CZ ARG A 5 17.556 23.921 13.456 1.00 21.61 C ATOM 55 NH1 ARG A 5 18.502 23.935 14.403 1.00 24.48 N ATOM 56 NH2 ARG A 5 17.591 24.854 12.498 1.00 23.88 N1+ ATOM 57 H ARG A 5 11.631 22.981 14.970 1.00 0.00 H ATOM 58 HE ARG A 5 15.873 23.058 12.728 1.00 0.00 H ATOM 59 HH12 ARG A 5 19.217 24.651 14.389 1.00 0.00 H ATOM 60 HH11 ARG A 5 18.486 23.256 15.150 1.00 0.00 H ATOM 61 HH22 ARG A 5 18.318 25.558 12.513 1.00 0.00 H ATOM 62 HH21 ARG A 5 16.893 24.878 11.769 1.00 0.00 H ATOM 63 N CYS A 6 13.753 25.440 16.607 1.00 12.58 N ATOM 64 CA CYS A 6 14.327 26.640 17.207 1.00 12.42 C ATOM 65 C CYS A 6 13.387 27.350 18.192 1.00 11.86 C ATOM 66 O CYS A 6 13.870 28.122 19.020 1.00 13.27 O ATOM 67 CB CYS A 6 14.715 27.612 16.086 1.00 13.64 C ATOM 68 SG CYS A 6 16.083 27.039 15.041 1.00 16.20 S ATOM 69 H CYS A 6 13.398 25.506 15.664 1.00 0.00 H ATOM 70 N GLU A 7 12.077 27.047 18.163 1.00 12.12 N ATOM 71 CA GLU A 7 11.114 27.459 19.183 1.00 12.07 C ATOM 72 C GLU A 7 11.405 26.732 20.508 1.00 11.12 C ATOM 73 O GLU A 7 11.437 27.382 21.553 1.00 12.80 O ATOM 74 CB GLU A 7 9.682 27.156 18.691 1.00 16.60 C ATOM 75 CG GLU A 7 8.555 27.544 19.678 1.00 18.77 C ATOM 76 CD GLU A 7 7.191 26.934 19.346 1.00 21.58 C ATOM 77 OE1 GLU A 7 7.146 25.920 18.615 1.00 21.23 O ATOM 78 OE2 GLU A 7 6.203 27.482 19.882 1.00 26.51 O1- ATOM 79 H GLU A 7 11.755 26.384 17.471 1.00 0.00 H ATOM 80 N LEU A 8 11.667 25.411 20.454 1.00 11.84 N ATOM 81 CA LEU A 8 12.025 24.587 21.607 1.00 10.90 C ATOM 82 C LEU A 8 13.402 24.966 22.169 1.00 10.67 C ATOM 83 O LEU A 8 13.545 25.021 23.387 1.00 11.45 O ATOM 84 CB LEU A 8 12.014 23.092 21.216 1.00 11.53 C ATOM 85 CG LEU A 8 12.275 22.100 22.377 1.00 11.62 C ATOM 86 CD1 LEU A 8 11.240 22.218 23.506 1.00 14.29 C ATOM 87 CD2 LEU A 8 12.330 20.661 21.857 1.00 16.83 C ATOM 88 H LEU A 8 11.616 24.951 19.554 1.00 0.00 H ATOM 89 N ALA A 9 14.391 25.263 21.307 1.00 10.92 N ATOM 90 CA ALA A 9 15.745 25.659 21.701 1.00 11.36 C ATOM 91 C ALA A 9 15.755 26.946 22.545 1.00 12.02 C ATOM 92 O ALA A 9 16.428 26.991 23.574 1.00 11.55 O ATOM 93 CB ALA A 9 16.615 25.826 20.446 1.00 13.31 C ATOM 94 H ALA A 9 14.201 25.179 20.317 1.00 0.00 H ATOM 95 N ARG A 10 14.959 27.957 22.155 1.00 11.89 N ATOM 96 CA ARG A 10 14.794 29.204 22.903 1.00 12.26 C ATOM 97 C ARG A 10 13.939 29.024 24.170 1.00 11.30 C ATOM 98 O ARG A 10 14.198 29.715 25.153 1.00 13.37 O ATOM 99 CB ARG A 10 14.115 30.261 22.011 1.00 15.41 C ATOM 100 CG ARG A 10 15.022 30.785 20.884 1.00 17.40 C ATOM 101 CD ARG A 10 14.393 31.949 20.107 1.00 21.37 C ATOM 102 NE ARG A 10 13.186 31.525 19.381 1.00 20.21 N ATOM 103 CZ ARG A 10 13.126 31.142 18.095 1.00 19.83 C ATOM 104 NH1 ARG A 10 14.223 31.089 17.327 1.00 20.32 N ATOM 105 NH2 ARG A 10 11.941 30.802 17.571 1.00 23.03 N1+ ATOM 106 H ARG A 10 14.424 27.847 21.304 1.00 0.00 H ATOM 107 HE ARG A 10 12.332 31.518 19.920 1.00 0.00 H ATOM 108 HH12 ARG A 10 14.160 30.829 16.354 1.00 0.00 H ATOM 109 HH11 ARG A 10 15.129 31.312 17.721 1.00 0.00 H ATOM 110 HH22 ARG A 10 11.871 30.517 16.604 1.00 0.00 H ATOM 111 HH21 ARG A 10 11.102 30.841 18.131 1.00 0.00 H ATOM 112 N THR A 11 12.958 28.102 24.176 1.00 11.61 N ATOM 113 CA THR A 11 12.101 27.820 25.335 1.00 11.60 C ATOM 114 C THR A 11 12.907 27.118 26.442 1.00 11.46 C ATOM 115 O THR A 11 12.797 27.509 27.603 1.00 12.79 O ATOM 116 CB THR A 11 10.888 26.949 24.910 1.00 13.51 C ATOM 117 OG1 THR A 11 10.081 27.691 24.016 1.00 15.51 O ATOM 118 CG2 THR A 11 9.955 26.549 26.069 1.00 15.20 C ATOM 119 H THR A 11 12.806 27.556 23.339 1.00 0.00 H ATOM 120 HG1 THR A 11 10.546 27.771 23.193 1.00 0.00 H ATOM 121 N LEU A 12 13.748 26.133 26.084 1.00 10.78 N ATOM 122 CA LEU A 12 14.638 25.421 27.002 1.00 11.18 C ATOM 123 C LEU A 12 15.751 26.333 27.551 1.00 11.18 C ATOM 124 O LEU A 12 16.110 26.190 28.719 1.00 12.56 O ATOM 125 CB LEU A 12 15.276 24.215 26.277 1.00 12.02 C ATOM 126 CG LEU A 12 14.322 23.058 25.904 1.00 12.75 C ATOM 127 CD1 LEU A 12 15.068 22.010 25.062 1.00 17.07 C ATOM 128 CD2 LEU A 12 13.667 22.396 27.122 1.00 16.49 C ATOM 129 H LEU A 12 13.784 25.863 25.109 1.00 0.00 H ATOM 130 N LYS A 13 16.257 27.292 26.751 1.00 11.39 N ATOM 131 CA LYS A 13 17.253 28.275 27.185 1.00 11.97 C ATOM 132 C LYS A 13 16.678 29.287 28.197 1.00 12.47 C ATOM 133 O LYS A 13 17.370 29.611 29.162 1.00 13.70 O ATOM 134 CB LYS A 13 17.851 29.003 25.960 1.00 16.60 C ATOM 135 CG LYS A 13 18.973 29.997 26.337 1.00 22.62 C ATOM 136 CD LYS A 13 20.166 30.002 25.374 1.00 30.87 C ATOM 137 CE LYS A 13 21.275 30.958 25.845 1.00 37.86 C ATOM 138 NZ LYS A 13 22.588 30.576 25.301 1.00 58.06 N1+ ATOM 139 H LYS A 13 15.927 27.351 25.798 1.00 0.00 H ATOM 140 HZ1 LYS A 13 22.551 30.506 24.287 1.00 0.00 H ATOM 141 HZ2 LYS A 13 23.286 31.254 25.566 1.00 0.00 H ATOM 142 HZ3 LYS A 13 22.852 29.668 25.671 1.00 0.00 H ATOM 143 N ARG A 14 15.416 29.732 28.031 1.00 12.34 N ATOM 144 CA ARG A 14 14.722 30.598 28.994 1.00 12.96 C ATOM 145 C ARG A 14 14.399 29.871 30.310 1.00 11.94 C ATOM 146 O ARG A 14 14.406 30.505 31.364 1.00 14.46 O ATOM 147 CB AARG A 14 13.391 31.111 28.410 0.70 15.74 C ATOM 148 CB BARG A 14 13.623 31.319 28.361 0.30 15.28 C ATOM 149 CG AARG A 14 13.547 32.233 27.372 0.70 21.21 C ATOM 150 CG BARG A 14 14.058 32.408 27.351 0.30 19.21 C ATOM 151 CD AARG A 14 12.220 32.944 27.061 0.70 28.16 C ATOM 152 CD BARG A 14 15.036 33.371 28.016 0.30 26.84 C ATOM 153 NE AARG A 14 11.170 31.996 26.657 0.70 30.61 N ATOM 154 NE BARG A 14 15.209 34.596 27.262 0.30 35.78 N ATOM 155 CZ AARG A 14 10.860 31.634 25.402 0.70 30.91 C ATOM 156 CZ BARG A 14 14.338 35.577 27.122 0.30 33.72 C ATOM 157 NH1AARG A 14 11.525 32.126 24.347 0.70 32.12 N ATOM 158 NH1BARG A 14 13.846 35.867 25.919 0.30 36.51 N ATOM 159 NH2AARG A 14 9.870 30.756 25.203 0.70 31.46 N1+ ATOM 160 NH2BARG A 14 13.965 36.331 28.153 0.30 28.73 N1+ ATOM 161 H ARG A 14 14.901 29.430 27.215 1.00 0.00 H ATOM 162 HE AARG A 14 10.654 31.573 27.416 0.70 0.00 H ATOM 163 HE BARG A 14 16.112 34.655 26.814 0.30 0.00 H ATOM 164 HH12AARG A 14 11.275 31.853 23.409 0.70 0.00 H ATOM 165 HH12BARG A 14 13.179 36.618 25.814 0.30 0.00 H ATOM 166 HH11AARG A 14 12.279 32.782 24.492 0.70 0.00 H ATOM 167 HH11BARG A 14 14.140 35.336 25.112 0.30 0.00 H ATOM 168 HH22AARG A 14 9.635 30.445 24.271 0.70 0.00 H ATOM 169 HH22BARG A 14 13.296 37.076 28.018 0.30 0.00 H ATOM 170 HH21AARG A 14 9.359 30.375 25.986 0.70 0.00 H ATOM 171 HH21BARG A 14 14.351 36.159 29.070 0.30 0.00 H ATOM 172 N LEU A 15 14.149 28.553 30.254 1.00 11.41 N ATOM 173 CA LEU A 15 13.910 27.702 31.419 1.00 11.71 C ATOM 174 C LEU A 15 15.227 27.164 32.027 1.00 12.33 C ATOM 175 O LEU A 15 15.173 26.344 32.942 1.00 15.00 O ATOM 176 CB LEU A 15 12.990 26.530 31.008 1.00 13.70 C ATOM 177 CG LEU A 15 11.555 26.941 30.599 1.00 15.21 C ATOM 178 CD1 LEU A 15 10.825 25.778 29.911 1.00 16.24 C ATOM 179 CD2 LEU A 15 10.729 27.444 31.795 1.00 20.49 C ATOM 180 H LEU A 15 14.145 28.106 29.348 1.00 0.00 H ATOM 181 N GLY A 16 16.398 27.659 31.583 1.00 12.66 N ATOM 182 CA GLY A 16 17.693 27.491 32.241 1.00 13.48 C ATOM 183 C GLY A 16 18.378 26.136 32.032 1.00 12.84 C ATOM 184 O GLY A 16 19.131 25.711 32.908 1.00 15.76 O ATOM 185 H GLY A 16 16.364 28.320 30.819 1.00 0.00 H ATOM 186 N MET A 17 18.108 25.449 30.911 1.00 11.57 N ATOM 187 CA MET A 17 18.641 24.115 30.620 1.00 11.60 C ATOM 188 C MET A 17 20.040 24.138 29.984 1.00 11.86 C ATOM 189 O MET A 17 20.746 23.136 30.094 1.00 14.20 O ATOM 190 CB MET A 17 17.688 23.399 29.642 1.00 13.14 C ATOM 191 CG MET A 17 16.395 22.944 30.328 1.00 14.11 C ATOM 192 SD MET A 17 16.645 21.526 31.435 1.00 18.03 S ATOM 193 CE MET A 17 15.828 20.227 30.477 1.00 24.42 C ATOM 194 H MET A 17 17.464 25.851 30.242 1.00 0.00 H ATOM 195 N ASP A 18 20.461 25.247 29.347 1.00 12.93 N ATOM 196 CA ASP A 18 21.768 25.362 28.694 1.00 14.41 C ATOM 197 C ASP A 18 22.891 25.400 29.750 1.00 14.70 C ATOM 198 O ASP A 18 22.996 26.354 30.522 1.00 17.65 O ATOM 199 CB ASP A 18 21.791 26.625 27.796 1.00 16.44 C ATOM 200 CG ASP A 18 23.038 26.752 26.905 1.00 19.56 C ATOM 201 OD1 ASP A 18 23.642 25.702 26.586 1.00 20.72 O ATOM 202 OD2 ASP A 18 23.340 27.907 26.526 1.00 29.13 O1- ATOM 203 H ASP A 18 19.849 26.049 29.314 1.00 0.00 H ATOM 204 N GLY A 19 23.697 24.331 29.787 1.00 12.95 N ATOM 205 CA GLY A 19 24.774 24.116 30.746 1.00 15.05 C ATOM 206 C GLY A 19 24.325 23.552 32.102 1.00 12.69 C ATOM 207 O GLY A 19 25.160 23.475 33.003 1.00 15.26 O ATOM 208 H GLY A 19 23.517 23.578 29.136 1.00 0.00 H ATOM 209 N TYR A 20 23.045 23.156 32.268 1.00 13.11 N ATOM 210 CA TYR A 20 22.515 22.597 33.516 1.00 11.95 C ATOM 211 C TYR A 20 23.117 21.206 33.753 1.00 11.72 C ATOM 212 O TYR A 20 22.906 20.300 32.947 1.00 12.45 O ATOM 213 CB TYR A 20 20.974 22.488 33.461 1.00 12.49 C ATOM 214 CG TYR A 20 20.371 22.107 34.807 1.00 12.45 C ATOM 215 CD1 TYR A 20 20.057 23.118 35.738 1.00 15.37 C ATOM 216 CD2 TYR A 20 20.201 20.751 35.167 1.00 12.41 C ATOM 217 CE1 TYR A 20 19.610 22.779 37.028 1.00 16.89 C ATOM 218 CE2 TYR A 20 19.763 20.412 36.462 1.00 13.65 C ATOM 219 CZ TYR A 20 19.476 21.426 37.396 1.00 15.67 C ATOM 220 OH TYR A 20 19.073 21.103 38.658 1.00 20.08 O ATOM 221 H TYR A 20 22.413 23.231 31.482 1.00 0.00 H ATOM 222 HH TYR A 20 19.000 21.864 39.215 1.00 0.00 H ATOM 223 N ARG A 21 23.899 21.069 34.840 1.00 13.06 N ATOM 224 CA ARG A 21 24.642 19.861 35.223 1.00 14.28 C ATOM 225 C ARG A 21 25.746 19.505 34.201 1.00 13.33 C ATOM 226 O ARG A 21 26.129 18.343 34.072 1.00 14.35 O ATOM 227 CB ARG A 21 23.682 18.693 35.575 1.00 16.78 C ATOM 228 CG ARG A 21 23.016 18.849 36.958 1.00 25.30 C ATOM 229 CD ARG A 21 23.882 18.300 38.102 1.00 33.61 C ATOM 230 NE ARG A 21 23.987 16.839 37.994 1.00 56.79 N ATOM 231 CZ ARG A 21 24.916 16.031 38.527 1.00 61.31 C ATOM 232 NH1 ARG A 21 25.901 16.509 39.297 1.00 60.56 N ATOM 233 NH2 ARG A 21 24.845 14.718 38.277 1.00 45.90 N1+ ATOM 234 H ARG A 21 24.022 21.880 35.429 1.00 0.00 H ATOM 235 HE ARG A 21 23.252 16.389 37.459 1.00 0.00 H ATOM 236 HH12 ARG A 21 26.593 15.889 39.691 1.00 0.00 H ATOM 237 HH11 ARG A 21 25.956 17.499 39.488 1.00 0.00 H ATOM 238 HH22 ARG A 21 25.528 14.082 38.659 1.00 0.00 H ATOM 239 HH21 ARG A 21 24.082 14.346 37.724 1.00 0.00 H ATOM 240 N GLY A 22 26.243 20.515 33.465 1.00 12.43 N ATOM 241 CA GLY A 22 27.242 20.401 32.406 1.00 12.76 C ATOM 242 C GLY A 22 26.684 19.990 31.035 1.00 11.21 C ATOM 243 O GLY A 22 27.470 19.807 30.107 1.00 12.81 O ATOM 244 H GLY A 22 25.868 21.441 33.627 1.00 0.00 H ATOM 245 N ILE A 23 25.355 19.829 30.897 1.00 11.07 N ATOM 246 CA ILE A 23 24.694 19.370 29.675 1.00 11.77 C ATOM 247 C ILE A 23 24.320 20.615 28.857 1.00 10.74 C ATOM 248 O ILE A 23 23.502 21.425 29.292 1.00 12.48 O ATOM 249 CB ILE A 23 23.405 18.575 30.040 1.00 10.86 C ATOM 250 CG1 ILE A 23 23.696 17.379 30.980 1.00 12.80 C ATOM 251 CG2 ILE A 23 22.668 18.067 28.780 1.00 13.41 C ATOM 252 CD1 ILE A 23 22.461 16.900 31.749 1.00 14.46 C ATOM 253 H ILE A 23 24.765 20.003 31.699 1.00 0.00 H ATOM 254 N SER A 24 24.903 20.734 27.654 1.00 11.50 N ATOM 255 CA SER A 24 24.614 21.784 26.679 1.00 11.97 C ATOM 256 C SER A 24 23.193 21.647 26.104 1.00 11.84 C ATOM 257 O SER A 24 22.622 20.554 26.077 1.00 11.40 O ATOM 258 CB SER A 24 25.672 21.722 25.553 1.00 12.92 C ATOM 259 OG SER A 24 25.511 20.610 24.689 1.00 13.62 O ATOM 260 H SER A 24 25.562 20.023 27.373 1.00 0.00 H ATOM 261 HG SER A 24 26.164 20.667 24.007 1.00 0.00 H ATOM 262 N LEU A 25 22.646 22.768 25.613 1.00 12.17 N ATOM 263 CA LEU A 25 21.343 22.864 24.953 1.00 12.23 C ATOM 264 C LEU A 25 21.202 21.942 23.726 1.00 12.01 C ATOM 265 O LEU A 25 20.113 21.436 23.471 1.00 12.74 O ATOM 266 CB ALEU A 25 21.118 24.343 24.592 0.60 14.96 C ATOM 267 CB BLEU A 25 21.113 24.252 24.416 0.40 14.11 C ATOM 268 CG ALEU A 25 19.773 24.695 23.929 0.60 13.26 C ATOM 269 CG BLEU A 25 20.522 25.236 25.409 0.40 14.92 C ATOM 270 CD1ALEU A 25 18.571 24.388 24.831 0.60 18.00 C ATOM 271 CD1BLEU A 25 20.169 26.550 24.693 0.40 24.21 C ATOM 272 CD2ALEU A 25 19.780 26.170 23.521 0.60 15.14 C ATOM 273 CD2BLEU A 25 19.278 24.653 26.059 0.40 17.27 C ATOM 274 H LEU A 25 23.168 23.630 25.707 1.00 0.00 H ATOM 275 N ALA A 26 22.308 21.681 23.009 1.00 11.62 N ATOM 276 CA ALA A 26 22.391 20.793 21.851 1.00 12.16 C ATOM 277 C ALA A 26 22.151 19.311 22.195 1.00 12.03 C ATOM 278 O ALA A 26 21.562 18.595 21.386 1.00 12.52 O ATOM 279 CB ALA A 26 23.790 20.958 21.243 1.00 14.36 C ATOM 280 H ALA A 26 23.166 22.121 23.306 1.00 0.00 H ATOM 281 N ASN A 27 22.557 18.867 23.399 1.00 11.30 N ATOM 282 CA ASN A 27 22.317 17.516 23.917 1.00 11.72 C ATOM 283 C ASN A 27 20.892 17.338 24.470 1.00 11.31 C ATOM 284 O ASN A 27 20.350 16.239 24.359 1.00 12.02 O ATOM 285 CB ASN A 27 23.326 17.198 25.045 1.00 11.67 C ATOM 286 CG ASN A 27 24.685 16.761 24.496 1.00 12.91 C ATOM 287 OD1 ASN A 27 24.795 15.686 23.911 1.00 15.81 O ATOM 288 ND2 ASN A 27 25.718 17.586 24.665 1.00 15.94 N ATOM 289 H ASN A 27 23.016 19.523 24.017 1.00 0.00 H ATOM 290 HD22 ASN A 27 26.627 17.323 24.311 1.00 0.00 H ATOM 291 HD21 ASN A 27 25.585 18.485 25.109 1.00 0.00 H ATOM 292 N TRP A 28 20.267 18.404 25.003 1.00 10.26 N ATOM 293 CA TRP A 28 18.860 18.413 25.420 1.00 10.77 C ATOM 294 C TRP A 28 17.907 18.411 24.215 1.00 11.26 C ATOM 295 O TRP A 28 16.847 17.788 24.273 1.00 11.17 O ATOM 296 CB TRP A 28 18.565 19.681 26.244 1.00 10.49 C ATOM 297 CG TRP A 28 19.087 19.689 27.645 1.00 10.02 C ATOM 298 CD1 TRP A 28 19.979 20.569 28.149 1.00 12.17 C ATOM 299 CD2 TRP A 28 18.721 18.811 28.751 1.00 10.69 C ATOM 300 NE1 TRP A 28 20.180 20.307 29.486 1.00 12.53 N ATOM 301 CE2 TRP A 28 19.411 19.250 29.921 1.00 11.35 C ATOM 302 CE3 TRP A 28 17.857 17.700 28.894 1.00 12.47 C ATOM 303 CZ2 TRP A 28 19.232 18.640 31.173 1.00 13.34 C ATOM 304 CZ3 TRP A 28 17.677 17.069 30.141 1.00 14.07 C ATOM 305 CH2 TRP A 28 18.351 17.549 31.282 1.00 14.86 C ATOM 306 H TRP A 28 20.779 19.273 25.075 1.00 0.00 H ATOM 307 HE1 TRP A 28 20.795 20.873 30.056 1.00 0.00 H ATOM 308 N MET A 29 18.302 19.083 23.122 1.00 10.67 N ATOM 309 CA MET A 29 17.567 19.143 21.866 1.00 10.61 C ATOM 310 C MET A 29 17.691 17.833 21.074 1.00 11.13 C ATOM 311 O MET A 29 16.724 17.438 20.426 1.00 11.94 O ATOM 312 CB MET A 29 18.132 20.297 21.015 1.00 11.54 C ATOM 313 CG MET A 29 17.594 21.683 21.401 1.00 12.10 C ATOM 314 SD MET A 29 15.807 21.916 21.205 1.00 14.40 S ATOM 315 CE MET A 29 15.600 21.604 19.436 1.00 17.16 C ATOM 316 H MET A 29 19.172 19.596 23.171 1.00 0.00 H ATOM 317 N CYS A 30 18.839 17.136 21.161 1.00 11.31 N ATOM 318 CA CYS A 30 19.035 15.806 20.582 1.00 11.47 C ATOM 319 C CYS A 30 18.188 14.757 21.324 1.00 12.45 C ATOM 320 O CYS A 30 17.545 13.936 20.672 1.00 12.88 O ATOM 321 CB CYS A 30 20.531 15.434 20.628 1.00 12.22 C ATOM 322 SG CYS A 30 20.941 13.900 19.749 1.00 13.65 S ATOM 323 H CYS A 30 19.602 17.530 21.694 1.00 0.00 H ATOM 324 N LEU A 31 18.133 14.824 22.669 1.00 11.57 N ATOM 325 CA LEU A 31 17.282 13.989 23.522 1.00 12.27 C ATOM 326 C LEU A 31 15.796 14.128 23.151 1.00 11.08 C ATOM 327 O LEU A 31 15.149 13.124 22.868 1.00 12.30 O ATOM 328 CB LEU A 31 17.539 14.326 25.012 1.00 13.03 C ATOM 329 CG LEU A 31 16.633 13.595 26.034 1.00 12.69 C ATOM 330 CD1 LEU A 31 16.906 12.087 26.077 1.00 15.53 C ATOM 331 CD2 LEU A 31 16.764 14.210 27.434 1.00 16.22 C ATOM 332 H LEU A 31 18.694 15.525 23.134 1.00 0.00 H ATOM 333 N ALA A 32 15.274 15.366 23.114 1.00 11.51 N ATOM 334 CA ALA A 32 13.874 15.678 22.821 1.00 11.12 C ATOM 335 C ALA A 32 13.431 15.284 21.400 1.00 11.09 C ATOM 336 O ALA A 32 12.265 14.935 21.208 1.00 13.12 O ATOM 337 CB ALA A 32 13.656 17.185 23.023 1.00 12.81 C ATOM 338 H ALA A 32 15.878 16.142 23.351 1.00 0.00 H ATOM 339 N LYS A 33 14.357 15.304 20.424 1.00 10.96 N ATOM 340 CA LYS A 33 14.105 14.938 19.032 1.00 12.88 C ATOM 341 C LYS A 33 13.902 13.425 18.877 1.00 12.92 C ATOM 342 O LYS A 33 12.998 13.010 18.154 1.00 14.54 O ATOM 343 CB LYS A 33 15.300 15.385 18.154 1.00 14.78 C ATOM 344 CG LYS A 33 15.003 15.352 16.642 1.00 24.35 C ATOM 345 CD LYS A 33 15.452 14.065 15.924 1.00 31.88 C ATOM 346 CE LYS A 33 14.633 13.765 14.661 1.00 43.51 C ATOM 347 NZ LYS A 33 14.754 14.839 13.661 1.00 44.62 N1+ ATOM 348 H LYS A 33 15.296 15.594 20.664 1.00 0.00 H ATOM 349 HZ1 LYS A 33 14.419 15.706 14.057 1.00 0.00 H ATOM 350 HZ2 LYS A 33 15.722 14.943 13.394 1.00 0.00 H ATOM 351 HZ3 LYS A 33 14.203 14.607 12.847 1.00 0.00 H ATOM 352 N TRP A 34 14.743 12.609 19.528 1.00 12.70 N ATOM 353 CA TRP A 34 14.749 11.157 19.360 1.00 13.46 C ATOM 354 C TRP A 34 13.863 10.416 20.367 1.00 13.18 C ATOM 355 O TRP A 34 13.552 9.250 20.128 1.00 18.23 O ATOM 356 CB TRP A 34 16.201 10.659 19.453 1.00 14.44 C ATOM 357 CG TRP A 34 17.001 11.036 18.243 1.00 13.70 C ATOM 358 CD1 TRP A 34 18.056 11.879 18.215 1.00 14.63 C ATOM 359 CD2 TRP A 34 16.778 10.631 16.857 1.00 16.12 C ATOM 360 NE1 TRP A 34 18.479 12.049 16.914 1.00 17.71 N ATOM 361 CE2 TRP A 34 17.725 11.307 16.031 1.00 16.71 C ATOM 362 CE3 TRP A 34 15.858 9.772 16.209 1.00 17.51 C ATOM 363 CZ2 TRP A 34 17.749 11.154 14.634 1.00 23.07 C ATOM 364 CZ3 TRP A 34 15.874 9.608 14.809 1.00 23.60 C ATOM 365 CH2 TRP A 34 16.815 10.300 14.022 1.00 24.86 C ATOM 366 H TRP A 34 15.463 13.016 20.110 1.00 0.00 H ATOM 367 HE1 TRP A 34 19.229 12.681 16.663 1.00 0.00 H ATOM 368 N GLU A 35 13.408 11.083 21.440 1.00 12.38 N ATOM 369 CA GLU A 35 12.442 10.527 22.383 1.00 13.11 C ATOM 370 C GLU A 35 11.002 10.764 21.895 1.00 13.40 C ATOM 371 O GLU A 35 10.180 9.859 22.025 1.00 14.31 O ATOM 372 CB GLU A 35 12.618 11.220 23.757 1.00 13.51 C ATOM 373 CG GLU A 35 13.861 10.758 24.552 1.00 13.78 C ATOM 374 CD GLU A 35 13.850 9.304 25.042 1.00 15.30 C ATOM 375 OE1 GLU A 35 12.855 8.590 24.798 1.00 17.48 O ATOM 376 OE2 GLU A 35 14.870 8.920 25.652 1.00 19.70 O1- ATOM 377 H GLU A 35 13.733 12.026 21.602 1.00 0.00 H ATOM 378 N SER A 36 10.686 11.943 21.326 1.00 13.52 N ATOM 379 CA SER A 36 9.307 12.360 21.046 1.00 13.25 C ATOM 380 C SER A 36 9.068 13.006 19.674 1.00 13.07 C ATOM 381 O SER A 36 7.910 13.137 19.277 1.00 15.89 O ATOM 382 CB SER A 36 8.807 13.245 22.200 1.00 13.02 C ATOM 383 OG SER A 36 9.353 14.546 22.099 1.00 13.33 O ATOM 384 H SER A 36 11.415 12.635 21.225 1.00 0.00 H ATOM 385 HG SER A 36 10.273 14.505 22.321 1.00 0.00 H ATOM 386 N GLY A 37 10.121 13.468 18.981 1.00 14.49 N ATOM 387 CA GLY A 37 9.994 14.312 17.791 1.00 14.62 C ATOM 388 C GLY A 37 9.545 15.748 18.106 1.00 12.70 C ATOM 389 O GLY A 37 8.975 16.404 17.236 1.00 16.12 O ATOM 390 H GLY A 37 11.052 13.305 19.336 1.00 0.00 H ATOM 391 N TYR A 38 9.757 16.204 19.355 1.00 12.50 N ATOM 392 CA TYR A 38 9.408 17.516 19.912 1.00 12.41 C ATOM 393 C TYR A 38 7.939 17.616 20.377 1.00 12.36 C ATOM 394 O TYR A 38 7.436 18.721 20.580 1.00 15.84 O ATOM 395 CB TYR A 38 9.859 18.701 19.021 1.00 13.48 C ATOM 396 CG TYR A 38 11.299 18.706 18.534 1.00 12.71 C ATOM 397 CD1 TYR A 38 12.362 18.411 19.412 1.00 13.92 C ATOM 398 CD2 TYR A 38 11.582 19.047 17.194 1.00 15.27 C ATOM 399 CE1 TYR A 38 13.692 18.478 18.962 1.00 14.18 C ATOM 400 CE2 TYR A 38 12.914 19.096 16.738 1.00 16.12 C ATOM 401 CZ TYR A 38 13.972 18.814 17.624 1.00 14.45 C ATOM 402 OH TYR A 38 15.263 18.868 17.186 1.00 16.66 O ATOM 403 H TYR A 38 10.212 15.567 19.995 1.00 0.00 H ATOM 404 HH TYR A 38 15.885 18.636 17.860 1.00 0.00 H ATOM 405 N ASN A 39 7.251 16.471 20.527 1.00 13.71 N ATOM 406 CA ASN A 39 5.831 16.358 20.849 1.00 13.00 C ATOM 407 C ASN A 39 5.658 16.171 22.365 1.00 12.31 C ATOM 408 O ASN A 39 6.109 15.176 22.931 1.00 13.82 O ATOM 409 CB ASN A 39 5.298 15.110 20.101 1.00 14.34 C ATOM 410 CG ASN A 39 3.778 14.906 20.178 1.00 15.85 C ATOM 411 OD1 ASN A 39 3.023 15.817 20.513 1.00 15.88 O ATOM 412 ND2 ASN A 39 3.327 13.684 19.891 1.00 20.01 N ATOM 413 H ASN A 39 7.751 15.606 20.374 1.00 0.00 H ATOM 414 HD22 ASN A 39 2.337 13.494 19.932 1.00 0.00 H ATOM 415 HD21 ASN A 39 3.974 12.955 19.626 1.00 0.00 H ATOM 416 N THR A 40 4.937 17.105 23.006 1.00 11.81 N ATOM 417 CA THR A 40 4.578 17.054 24.425 1.00 12.68 C ATOM 418 C THR A 40 3.457 16.042 24.722 1.00 12.56 C ATOM 419 O THR A 40 3.306 15.647 25.872 1.00 15.38 O ATOM 420 CB THR A 40 4.124 18.454 24.913 1.00 13.66 C ATOM 421 OG1 THR A 40 2.878 18.863 24.376 1.00 14.74 O ATOM 422 CG2 THR A 40 5.151 19.567 24.687 1.00 15.36 C ATOM 423 H THR A 40 4.588 17.892 22.473 1.00 0.00 H ATOM 424 HG1 THR A 40 2.513 19.515 24.959 1.00 0.00 H ATOM 425 N ARG A 41 2.678 15.620 23.712 1.00 13.38 N ATOM 426 CA ARG A 41 1.550 14.702 23.871 1.00 16.46 C ATOM 427 C ARG A 41 1.992 13.226 23.725 1.00 15.27 C ATOM 428 O ARG A 41 1.163 12.329 23.879 1.00 19.49 O ATOM 429 CB AARG A 41 0.521 15.032 22.766 0.50 17.28 C ATOM 430 CB BARG A 41 0.404 14.821 23.012 0.50 22.02 C ATOM 431 CG AARG A 41 -0.912 14.599 23.127 0.50 34.08 C ATOM 432 CG BARG A 41 0.422 13.915 21.782 0.50 26.26 C ATOM 433 CD AARG A 41 -1.872 14.553 21.927 0.50 39.13 C ATOM 434 CD BARG A 41 -0.248 12.591 22.038 0.50 43.32 C ATOM 435 NE AARG A 41 -2.547 13.249 21.872 0.50 41.14 N ATOM 436 NE BARG A 41 0.508 11.430 21.568 0.50 47.48 N ATOM 437 CZ AARG A 41 -3.639 12.895 22.569 0.50 39.71 C ATOM 438 CZ BARG A 41 0.547 10.269 22.215 0.50 46.49 C ATOM 439 NH1AARG A 41 -4.290 13.770 23.350 0.50 40.71 N ATOM 440 NH1BARG A 41 -0.229 10.057 23.275 0.50 39.83 N ATOM 441 NH2AARG A 41 -4.079 11.633 22.493 0.50 42.79 N1+ ATOM 442 NH2BARG A 41 1.362 9.292 21.816 0.50 40.93 N1+ ATOM 443 H ARG A 41 2.865 15.972 22.783 1.00 0.00 H ATOM 444 HE AARG A 41 -2.085 12.544 21.316 0.50 0.00 H ATOM 445 HE BARG A 41 1.018 11.544 20.704 0.50 0.00 H ATOM 446 HH12AARG A 41 -5.105 13.488 23.874 0.50 0.00 H ATOM 447 HH12BARG A 41 -0.192 9.171 23.759 0.50 0.00 H ATOM 448 HH11AARG A 41 -3.963 14.723 23.418 0.50 0.00 H ATOM 449 HH11BARG A 41 -0.855 10.782 23.595 0.50 0.00 H ATOM 450 HH22AARG A 41 -4.894 11.341 23.013 0.50 0.00 H ATOM 451 HH22BARG A 41 1.382 8.415 22.316 0.50 0.00 H ATOM 452 HH21AARG A 41 -3.597 10.957 21.918 0.50 0.00 H ATOM 453 HH21BARG A 41 1.960 9.429 21.013 0.50 0.00 H ATOM 454 N ALA A 42 3.280 12.965 23.433 1.00 15.38 N ATOM 455 CA ALA A 42 3.850 11.638 23.214 1.00 15.24 C ATOM 456 C ALA A 42 3.748 10.751 24.464 1.00 14.57 C ATOM 457 O ALA A 42 4.083 11.182 25.568 1.00 14.15 O ATOM 458 CB ALA A 42 5.321 11.795 22.801 1.00 19.09 C ATOM 459 H ALA A 42 3.909 13.750 23.349 1.00 0.00 H ATOM 460 N THR A 43 3.295 9.507 24.261 1.00 16.63 N ATOM 461 CA THR A 43 3.198 8.450 25.262 1.00 16.63 C ATOM 462 C THR A 43 3.669 7.126 24.655 1.00 17.66 C ATOM 463 O THR A 43 3.363 6.834 23.498 1.00 23.52 O ATOM 464 CB THR A 43 1.791 8.366 25.910 1.00 21.44 C ATOM 465 OG1 THR A 43 0.798 8.048 24.952 1.00 28.38 O ATOM 466 CG2 THR A 43 1.371 9.614 26.695 1.00 24.72 C ATOM 467 H THR A 43 3.038 9.245 23.321 1.00 0.00 H ATOM 468 HG1 THR A 43 1.041 7.240 24.525 1.00 0.00 H ATOM 469 N ASP A 44 4.372 6.319 25.460 1.00 17.38 N ATOM 470 CA ASP A 44 4.828 4.980 25.109 1.00 17.36 C ATOM 471 C ASP A 44 4.638 4.063 26.318 1.00 16.77 C ATOM 472 O ASP A 44 5.303 4.253 27.335 1.00 16.39 O ATOM 473 CB ASP A 44 6.262 5.031 24.529 1.00 0.00 C ATOM 474 CG ASP A 44 6.868 3.653 24.250 1.00 0.00 C ATOM 475 OD1 ASP A 44 6.245 2.915 23.456 1.00 0.00 O ATOM 476 OD2 ASP A 44 7.935 3.360 24.830 1.00 0.00 O1- ATOM 477 H ASP A 44 4.603 6.647 26.388 1.00 0.00 H ATOM 478 N TYR A 45 3.738 3.074 26.200 1.00 20.06 N ATOM 479 CA TYR A 45 3.512 2.055 27.218 1.00 19.26 C ATOM 480 C TYR A 45 4.517 0.917 27.003 1.00 18.33 C ATOM 481 O TYR A 45 4.588 0.329 25.923 1.00 21.79 O ATOM 482 CB TYR A 45 2.082 1.489 27.076 1.00 21.83 C ATOM 483 CG TYR A 45 1.732 0.400 28.083 1.00 20.44 C ATOM 484 CD1 TYR A 45 1.821 0.663 29.465 1.00 22.19 C ATOM 485 CD2 TYR A 45 1.344 -0.885 27.648 1.00 22.96 C ATOM 486 CE1 TYR A 45 1.522 -0.336 30.408 1.00 21.20 C ATOM 487 CE2 TYR A 45 1.041 -1.888 28.590 1.00 22.77 C ATOM 488 CZ TYR A 45 1.130 -1.614 29.969 1.00 22.00 C ATOM 489 OH TYR A 45 0.836 -2.585 30.879 1.00 25.95 O ATOM 490 H TYR A 45 3.251 2.969 25.322 1.00 0.00 H ATOM 491 HH TYR A 45 0.882 -2.276 31.771 1.00 0.00 H ATOM 492 N ASN A 46 5.262 0.604 28.068 1.00 17.53 N ATOM 493 CA ASN A 46 6.207 -0.500 28.148 1.00 18.07 C ATOM 494 C ASN A 46 5.452 -1.662 28.802 1.00 16.83 C ATOM 495 O ASN A 46 5.258 -1.685 30.017 1.00 18.09 O ATOM 496 CB ASN A 46 7.396 -0.070 29.041 1.00 19.02 C ATOM 497 CG ASN A 46 8.156 1.125 28.460 1.00 21.80 C ATOM 498 OD1 ASN A 46 8.807 0.998 27.427 1.00 27.14 O ATOM 499 ND2 ASN A 46 8.048 2.291 29.100 1.00 24.42 N ATOM 500 H ASN A 46 5.120 1.134 28.918 1.00 0.00 H ATOM 501 HD22 ASN A 46 8.498 3.113 28.705 1.00 0.00 H ATOM 502 HD21 ASN A 46 7.506 2.360 29.949 1.00 0.00 H ATOM 503 N ALA A 47 4.998 -2.617 27.976 1.00 19.59 N ATOM 504 CA ALA A 47 4.173 -3.756 28.386 1.00 23.80 C ATOM 505 C ALA A 47 4.932 -4.800 29.223 1.00 22.64 C ATOM 506 O ALA A 47 4.300 -5.555 29.961 1.00 24.61 O ATOM 507 CB ALA A 47 3.629 -4.434 27.118 1.00 27.76 C ATOM 508 H ALA A 47 5.179 -2.512 26.988 1.00 0.00 H ATOM 509 N GLY A 48 6.274 -4.825 29.134 1.00 19.99 N ATOM 510 CA GLY A 48 7.141 -5.763 29.839 1.00 22.07 C ATOM 511 C GLY A 48 7.292 -5.488 31.341 1.00 19.81 C ATOM 512 O GLY A 48 7.540 -6.431 32.091 1.00 24.08 O ATOM 513 H GLY A 48 6.717 -4.160 28.517 1.00 0.00 H ATOM 514 N ASP A 49 7.114 -4.230 31.782 1.00 18.77 N ATOM 515 CA ASP A 49 7.278 -3.804 33.176 1.00 20.35 C ATOM 516 C ASP A 49 6.074 -2.995 33.695 1.00 17.80 C ATOM 517 O ASP A 49 5.991 -2.759 34.897 1.00 21.18 O ATOM 518 CB ASP A 49 8.663 -3.130 33.374 1.00 20.26 C ATOM 519 CG ASP A 49 8.842 -1.709 32.815 1.00 24.33 C ATOM 520 OD1 ASP A 49 7.968 -1.250 32.048 1.00 19.65 O ATOM 521 OD2 ASP A 49 9.839 -1.075 33.220 1.00 32.10 O1- ATOM 522 H ASP A 49 6.922 -3.508 31.103 1.00 0.00 H ATOM 523 N ARG A 50 5.147 -2.580 32.815 1.00 19.86 N ATOM 524 CA ARG A 50 3.879 -1.901 33.107 1.00 19.68 C ATOM 525 C ARG A 50 4.020 -0.394 33.390 1.00 18.06 C ATOM 526 O ARG A 50 3.069 0.226 33.868 1.00 22.50 O ATOM 527 CB ARG A 50 2.990 -2.664 34.120 1.00 26.39 C ATOM 528 CG ARG A 50 2.642 -4.091 33.665 1.00 33.44 C ATOM 529 CD ARG A 50 1.816 -4.864 34.703 1.00 35.73 C ATOM 530 NE ARG A 50 2.628 -5.901 35.355 1.00 39.51 N ATOM 531 CZ ARG A 50 2.175 -7.045 35.895 1.00 35.58 C ATOM 532 NH1 ARG A 50 0.868 -7.349 35.903 1.00 54.84 N ATOM 533 NH2 ARG A 50 3.050 -7.900 36.438 1.00 33.65 N1+ ATOM 534 H ARG A 50 5.323 -2.772 31.838 1.00 0.00 H ATOM 535 HE ARG A 50 3.618 -5.706 35.410 1.00 0.00 H ATOM 536 HH12 ARG A 50 0.541 -8.212 36.313 1.00 0.00 H ATOM 537 HH11 ARG A 50 0.201 -6.709 35.498 1.00 0.00 H ATOM 538 HH22 ARG A 50 2.731 -8.766 36.849 1.00 0.00 H ATOM 539 HH21 ARG A 50 4.038 -7.693 36.433 1.00 0.00 H ATOM 540 N SER A 51 5.184 0.199 33.078 1.00 16.75 N ATOM 541 CA SER A 51 5.424 1.640 33.140 1.00 15.62 C ATOM 542 C SER A 51 5.038 2.306 31.808 1.00 15.04 C ATOM 543 O SER A 51 4.915 1.644 30.777 1.00 16.06 O ATOM 544 CB SER A 51 6.918 1.887 33.447 1.00 14.40 C ATOM 545 OG SER A 51 7.786 1.559 32.378 1.00 15.71 O ATOM 546 H SER A 51 5.913 -0.370 32.668 1.00 0.00 H ATOM 547 HG SER A 51 7.812 0.613 32.272 1.00 0.00 H ATOM 548 N THR A 52 4.857 3.632 31.848 1.00 13.80 N ATOM 549 CA THR A 52 4.581 4.485 30.699 1.00 11.94 C ATOM 550 C THR A 52 5.585 5.643 30.723 1.00 12.46 C ATOM 551 O THR A 52 5.819 6.248 31.769 1.00 13.36 O ATOM 552 CB THR A 52 3.111 4.972 30.739 1.00 13.80 C ATOM 553 OG1 THR A 52 2.226 3.875 30.724 1.00 15.81 O ATOM 554 CG2 THR A 52 2.719 5.867 29.548 1.00 13.89 C ATOM 555 H THR A 52 4.966 4.105 32.738 1.00 0.00 H ATOM 556 HG1 THR A 52 2.428 3.330 31.470 1.00 0.00 H ATOM 557 N ASP A 53 6.150 5.964 29.554 1.00 12.43 N ATOM 558 CA ASP A 53 6.991 7.133 29.314 1.00 12.59 C ATOM 559 C ASP A 53 6.099 8.269 28.801 1.00 12.09 C ATOM 560 O ASP A 53 5.276 8.049 27.915 1.00 13.31 O ATOM 561 CB ASP A 53 8.024 6.786 28.228 1.00 14.50 C ATOM 562 CG ASP A 53 8.973 5.659 28.639 1.00 17.20 C ATOM 563 OD1 ASP A 53 9.519 5.750 29.759 1.00 20.85 O ATOM 564 OD2 ASP A 53 9.124 4.713 27.839 1.00 22.38 O1- ATOM 565 H ASP A 53 5.917 5.403 28.744 1.00 0.00 H ATOM 566 N TYR A 54 6.246 9.465 29.390 1.00 12.07 N ATOM 567 CA TYR A 54 5.374 10.619 29.183 1.00 11.10 C ATOM 568 C TYR A 54 6.160 11.846 28.715 1.00 11.14 C ATOM 569 O TYR A 54 7.202 12.182 29.279 1.00 11.73 O ATOM 570 CB TYR A 54 4.671 10.962 30.508 1.00 13.10 C ATOM 571 CG TYR A 54 3.599 9.985 30.939 1.00 11.22 C ATOM 572 CD1 TYR A 54 3.912 8.923 31.811 1.00 13.36 C ATOM 573 CD2 TYR A 54 2.271 10.161 30.502 1.00 13.72 C ATOM 574 CE1 TYR A 54 2.890 8.067 32.261 1.00 12.26 C ATOM 575 CE2 TYR A 54 1.255 9.290 30.937 1.00 13.52 C ATOM 576 CZ TYR A 54 1.566 8.242 31.823 1.00 12.36 C ATOM 577 OH TYR A 54 0.592 7.392 32.257 1.00 13.90 O ATOM 578 H TYR A 54 6.949 9.551 30.113 1.00 0.00 H ATOM 579 HH TYR A 54 0.921 6.761 32.887 1.00 0.00 H ATOM 580 N GLY A 55 5.585 12.567 27.745 1.00 12.01 N ATOM 581 CA GLY A 55 5.982 13.915 27.374 1.00 11.22 C ATOM 582 C GLY A 55 7.105 14.002 26.346 1.00 11.31 C ATOM 583 O GLY A 55 7.487 13.013 25.719 1.00 11.64 O ATOM 584 H GLY A 55 4.755 12.199 27.300 1.00 0.00 H ATOM 585 N ILE A 56 7.617 15.231 26.188 1.00 11.13 N ATOM 586 CA ILE A 56 8.654 15.625 25.233 1.00 11.06 C ATOM 587 C ILE A 56 10.030 14.977 25.506 1.00 10.21 C ATOM 588 O ILE A 56 10.828 14.834 24.580 1.00 12.58 O ATOM 589 CB ILE A 56 8.721 17.178 25.199 1.00 12.23 C ATOM 590 CG1 ILE A 56 9.488 17.702 23.966 1.00 12.28 C ATOM 591 CG2 ILE A 56 9.256 17.805 26.506 1.00 13.92 C ATOM 592 CD1 ILE A 56 9.154 19.156 23.607 1.00 18.90 C ATOM 593 H ILE A 56 7.228 15.971 26.753 1.00 0.00 H ATOM 594 N PHE A 57 10.295 14.567 26.756 1.00 10.80 N ATOM 595 CA PHE A 57 11.525 13.894 27.171 1.00 11.58 C ATOM 596 C PHE A 57 11.311 12.398 27.451 1.00 12.60 C ATOM 597 O PHE A 57 12.302 11.705 27.665 1.00 14.93 O ATOM 598 CB PHE A 57 12.054 14.578 28.450 1.00 13.21 C ATOM 599 CG PHE A 57 12.530 16.008 28.257 1.00 13.29 C ATOM 600 CD1 PHE A 57 13.534 16.301 27.309 1.00 15.83 C ATOM 601 CD2 PHE A 57 11.982 17.049 29.037 1.00 17.07 C ATOM 602 CE1 PHE A 57 13.986 17.624 27.141 1.00 21.11 C ATOM 603 CE2 PHE A 57 12.436 18.371 28.871 1.00 22.69 C ATOM 604 CZ PHE A 57 13.439 18.657 27.925 1.00 22.40 C ATOM 605 H PHE A 57 9.592 14.722 27.464 1.00 0.00 H ATOM 606 N GLN A 58 10.059 11.893 27.457 1.00 11.15 N ATOM 607 CA GLN A 58 9.689 10.482 27.662 1.00 11.59 C ATOM 608 C GLN A 58 10.125 9.975 29.048 1.00 12.28 C ATOM 609 O GLN A 58 10.828 8.973 29.178 1.00 16.38 O ATOM 610 CB GLN A 58 10.183 9.596 26.493 1.00 12.66 C ATOM 611 CG GLN A 58 9.400 9.809 25.187 1.00 12.90 C ATOM 612 CD GLN A 58 7.973 9.263 25.242 1.00 13.93 C ATOM 613 OE1 GLN A 58 7.758 8.059 25.151 1.00 15.93 O ATOM 614 NE2 GLN A 58 6.987 10.149 25.376 1.00 13.81 N ATOM 615 H GLN A 58 9.300 12.527 27.253 1.00 0.00 H ATOM 616 HE22 GLN A 58 6.031 9.828 25.427 1.00 0.00 H ATOM 617 HE21 GLN A 58 7.197 11.137 25.444 1.00 0.00 H ATOM 618 N ILE A 59 9.728 10.724 30.084 1.00 11.14 N ATOM 619 CA ILE A 59 10.054 10.494 31.487 1.00 12.69 C ATOM 620 C ILE A 59 9.140 9.376 32.023 1.00 11.92 C ATOM 621 O ILE A 59 7.914 9.458 31.919 1.00 12.81 O ATOM 622 CB ILE A 59 9.858 11.846 32.227 1.00 12.88 C ATOM 623 CG1 ILE A 59 10.980 12.840 31.838 1.00 16.58 C ATOM 624 CG2 ILE A 59 9.781 11.711 33.758 1.00 15.82 C ATOM 625 CD1 ILE A 59 10.694 14.306 32.200 1.00 20.06 C ATOM 626 H ILE A 59 9.135 11.517 29.882 1.00 0.00 H ATOM 627 N ASN A 60 9.772 8.329 32.575 1.00 13.13 N ATOM 628 CA ASN A 60 9.156 7.068 32.977 1.00 12.23 C ATOM 629 C ASN A 60 8.447 7.189 34.338 1.00 12.37 C ATOM 630 O ASN A 60 8.938 7.830 35.267 1.00 15.10 O ATOM 631 CB ASN A 60 10.285 6.017 33.074 1.00 14.92 C ATOM 632 CG ASN A 60 9.745 4.588 33.151 1.00 15.27 C ATOM 633 OD1 ASN A 60 9.644 4.021 34.236 1.00 18.11 O ATOM 634 ND2 ASN A 60 9.394 4.009 32.004 1.00 18.70 N ATOM 635 H ASN A 60 10.780 8.366 32.614 1.00 0.00 H ATOM 636 HD22 ASN A 60 9.013 3.070 32.009 1.00 0.00 H ATOM 637 HD21 ASN A 60 9.484 4.523 31.130 1.00 0.00 H ATOM 638 N SER A 61 7.286 6.527 34.434 1.00 12.35 N ATOM 639 CA SER A 61 6.360 6.568 35.560 1.00 12.09 C ATOM 640 C SER A 61 6.660 5.571 36.697 1.00 13.49 C ATOM 641 O SER A 61 5.923 5.567 37.683 1.00 15.29 O ATOM 642 CB SER A 61 4.958 6.308 34.987 1.00 14.79 C ATOM 643 OG SER A 61 4.820 5.007 34.452 1.00 13.83 O ATOM 644 H SER A 61 6.959 6.032 33.614 1.00 0.00 H ATOM 645 HG SER A 61 4.622 4.407 35.159 1.00 0.00 H ATOM 646 N ARG A 62 7.726 4.755 36.607 1.00 15.46 N ATOM 647 CA ARG A 62 8.185 3.939 37.736 1.00 16.61 C ATOM 648 C ARG A 62 9.105 4.747 38.667 1.00 16.86 C ATOM 649 O ARG A 62 9.147 4.462 39.861 1.00 26.96 O ATOM 650 CB ARG A 62 8.952 2.699 37.223 1.00 19.91 C ATOM 651 CG ARG A 62 9.531 1.818 38.354 1.00 26.96 C ATOM 652 CD ARG A 62 9.828 0.382 37.925 1.00 41.99 C ATOM 653 NE ARG A 62 8.618 -0.439 38.061 1.00 38.78 N ATOM 654 CZ ARG A 62 7.871 -0.926 37.061 1.00 40.02 C ATOM 655 NH1 ARG A 62 8.188 -0.716 35.780 1.00 45.48 N ATOM 656 NH2 ARG A 62 6.777 -1.636 37.345 1.00 51.32 N1+ ATOM 657 H ARG A 62 8.288 4.766 35.766 1.00 0.00 H ATOM 658 HE ARG A 62 8.304 -0.604 39.008 1.00 0.00 H ATOM 659 HH12 ARG A 62 7.612 -1.102 35.046 1.00 0.00 H ATOM 660 HH11 ARG A 62 9.030 -0.217 35.526 1.00 0.00 H ATOM 661 HH22 ARG A 62 6.236 -2.051 36.593 1.00 0.00 H ATOM 662 HH21 ARG A 62 6.470 -1.732 38.303 1.00 0.00 H ATOM 663 N TYR A 63 9.854 5.728 38.142 1.00 17.34 N ATOM 664 CA TYR A 63 10.932 6.381 38.881 1.00 17.97 C ATOM 665 C TYR A 63 10.663 7.865 39.144 1.00 16.02 C ATOM 666 O TYR A 63 11.139 8.375 40.156 1.00 19.73 O ATOM 667 CB TYR A 63 12.244 6.198 38.095 1.00 25.58 C ATOM 668 CG TYR A 63 12.655 4.745 37.927 1.00 28.37 C ATOM 669 CD1 TYR A 63 13.063 3.990 39.047 1.00 32.48 C ATOM 670 CD2 TYR A 63 12.588 4.132 36.658 1.00 34.89 C ATOM 671 CE1 TYR A 63 13.392 2.628 38.900 1.00 37.71 C ATOM 672 CE2 TYR A 63 12.920 2.772 36.511 1.00 35.23 C ATOM 673 CZ TYR A 63 13.318 2.018 37.633 1.00 35.13 C ATOM 674 OH TYR A 63 13.625 0.696 37.495 1.00 45.56 O ATOM 675 H TYR A 63 9.767 5.928 37.157 1.00 0.00 H ATOM 676 HH TYR A 63 13.572 0.394 36.601 1.00 0.00 H ATOM 677 N TRP A 64 9.932 8.560 38.254 1.00 13.82 N ATOM 678 CA TRP A 64 9.965 10.022 38.160 1.00 13.15 C ATOM 679 C TRP A 64 8.607 10.681 38.406 1.00 11.80 C ATOM 680 O TRP A 64 8.522 11.549 39.271 1.00 15.36 O ATOM 681 CB TRP A 64 10.583 10.418 36.810 1.00 13.45 C ATOM 682 CG TRP A 64 11.958 9.866 36.582 1.00 14.00 C ATOM 683 CD1 TRP A 64 12.312 8.976 35.628 1.00 16.69 C ATOM 684 CD2 TRP A 64 13.161 10.114 37.369 1.00 15.23 C ATOM 685 NE1 TRP A 64 13.640 8.633 35.789 1.00 17.44 N ATOM 686 CE2 TRP A 64 14.209 9.286 36.864 1.00 15.85 C ATOM 687 CE3 TRP A 64 13.473 10.955 38.462 1.00 16.08 C ATOM 688 CZ2 TRP A 64 15.493 9.272 37.436 1.00 17.87 C ATOM 689 CZ3 TRP A 64 14.753 10.947 39.048 1.00 17.34 C ATOM 690 CH2 TRP A 64 15.759 10.104 38.538 1.00 18.86 C ATOM 691 H TRP A 64 9.533 8.064 37.469 1.00 0.00 H ATOM 692 HE1 TRP A 64 14.109 7.970 35.188 1.00 0.00 H ATOM 693 N CYS A 65 7.552 10.262 37.694 1.00 14.31 N ATOM 694 CA CYS A 65 6.187 10.771 37.857 1.00 12.60 C ATOM 695 C CYS A 65 5.259 9.641 38.326 1.00 14.32 C ATOM 696 O CYS A 65 5.588 8.467 38.172 1.00 14.95 O ATOM 697 CB CYS A 65 5.727 11.440 36.543 1.00 13.50 C ATOM 698 SG CYS A 65 5.482 10.367 35.093 1.00 14.34 S ATOM 699 H CYS A 65 7.687 9.527 37.014 1.00 0.00 H ATOM 700 N ASN A 66 4.096 9.995 38.892 1.00 13.49 N ATOM 701 CA ASN A 66 3.055 9.051 39.299 1.00 12.07 C ATOM 702 C ASN A 66 1.872 9.158 38.326 1.00 13.15 C ATOM 703 O ASN A 66 1.324 10.241 38.128 1.00 12.75 O ATOM 704 CB ASN A 66 2.596 9.424 40.727 1.00 15.96 C ATOM 705 CG ASN A 66 1.589 8.437 41.326 1.00 19.44 C ATOM 706 OD1 ASN A 66 1.805 7.228 41.298 1.00 21.93 O ATOM 707 ND2 ASN A 66 0.462 8.945 41.828 1.00 22.57 N ATOM 708 H ASN A 66 3.901 10.980 39.016 1.00 0.00 H ATOM 709 HD22 ASN A 66 -0.231 8.325 42.220 1.00 0.00 H ATOM 710 HD21 ASN A 66 0.306 9.943 41.819 1.00 0.00 H ATOM 711 N ASP A 67 1.452 8.011 37.772 1.00 12.42 N ATOM 712 CA ASP A 67 0.208 7.843 37.013 1.00 13.42 C ATOM 713 C ASP A 67 -0.786 6.943 37.779 1.00 13.40 C ATOM 714 O ASP A 67 -1.900 6.732 37.302 1.00 16.86 O ATOM 715 CB ASP A 67 0.515 7.306 35.589 1.00 12.34 C ATOM 716 CG ASP A 67 1.123 5.902 35.446 1.00 13.28 C ATOM 717 OD1 ASP A 67 1.401 5.244 36.474 1.00 14.28 O ATOM 718 OD2 ASP A 67 1.282 5.499 34.273 1.00 14.87 O1- ATOM 719 H ASP A 67 1.988 7.171 37.945 1.00 0.00 H ATOM 720 N GLY A 68 -0.392 6.425 38.957 1.00 13.31 N ATOM 721 CA GLY A 68 -1.201 5.613 39.860 1.00 14.71 C ATOM 722 C GLY A 68 -1.399 4.147 39.446 1.00 17.90 C ATOM 723 O GLY A 68 -1.989 3.398 40.223 1.00 27.90 O ATOM 724 H GLY A 68 0.541 6.650 39.274 1.00 0.00 H ATOM 725 N LYS A 69 -0.920 3.734 38.258 1.00 18.83 N ATOM 726 CA LYS A 69 -1.138 2.405 37.680 1.00 17.60 C ATOM 727 C LYS A 69 0.159 1.615 37.438 1.00 18.43 C ATOM 728 O LYS A 69 0.078 0.473 36.985 1.00 23.74 O ATOM 729 CB LYS A 69 -2.010 2.508 36.406 1.00 20.00 C ATOM 730 CG LYS A 69 -1.361 3.233 35.206 1.00 19.72 C ATOM 731 CD LYS A 69 -2.066 2.910 33.877 1.00 28.11 C ATOM 732 CE LYS A 69 -1.334 3.451 32.638 1.00 40.33 C ATOM 733 NZ LYS A 69 -1.490 4.908 32.499 1.00 48.89 N1+ ATOM 734 H LYS A 69 -0.426 4.407 37.686 1.00 0.00 H ATOM 735 HZ1 LYS A 69 -1.015 5.221 31.665 1.00 0.00 H ATOM 736 HZ2 LYS A 69 -2.470 5.146 32.443 1.00 0.00 H ATOM 737 HZ3 LYS A 69 -1.074 5.361 33.301 1.00 0.00 H ATOM 738 N THR A 70 1.335 2.194 37.730 1.00 17.05 N ATOM 739 CA THR A 70 2.634 1.543 37.554 1.00 18.01 C ATOM 740 C THR A 70 3.052 0.924 38.908 1.00 19.16 C ATOM 741 O THR A 70 3.187 1.671 39.880 1.00 22.32 O ATOM 742 CB THR A 70 3.678 2.605 37.138 1.00 17.38 C ATOM 743 OG1 THR A 70 3.276 3.139 35.895 1.00 16.08 O ATOM 744 CG2 THR A 70 5.087 2.021 36.918 1.00 18.56 C ATOM 745 H THR A 70 1.332 3.137 38.093 1.00 0.00 H ATOM 746 HG1 THR A 70 2.500 3.672 36.029 1.00 0.00 H ATOM 747 N PRO A 71 3.275 -0.411 38.995 1.00 20.91 N ATOM 748 CA PRO A 71 3.800 -1.088 40.195 1.00 23.96 C ATOM 749 C PRO A 71 5.180 -0.550 40.621 1.00 23.90 C ATOM 750 O PRO A 71 6.028 -0.290 39.768 1.00 25.80 O ATOM 751 CB PRO A 71 3.946 -2.571 39.805 1.00 25.33 C ATOM 752 CG PRO A 71 3.099 -2.764 38.559 1.00 29.02 C ATOM 753 CD PRO A 71 2.940 -1.377 37.947 1.00 23.02 C ATOM 754 N GLY A 72 5.414 -0.412 41.935 1.00 31.25 N ATOM 755 CA GLY A 72 6.701 -0.000 42.500 1.00 31.98 C ATOM 756 C GLY A 72 7.118 1.443 42.178 1.00 28.73 C ATOM 757 O GLY A 72 8.316 1.716 42.094 1.00 39.18 O ATOM 758 H GLY A 72 4.676 -0.641 42.584 1.00 0.00 H ATOM 759 N ALA A 73 6.143 2.345 41.962 1.00 25.80 N ATOM 760 CA ALA A 73 6.348 3.752 41.616 1.00 26.10 C ATOM 761 C ALA A 73 6.975 4.540 42.780 1.00 24.83 C ATOM 762 O ALA A 73 6.521 4.432 43.919 1.00 28.55 O ATOM 763 CB ALA A 73 4.999 4.379 41.236 1.00 30.47 C ATOM 764 H ALA A 73 5.186 2.030 42.032 1.00 0.00 H ATOM 765 N VAL A 74 8.023 5.321 42.476 1.00 25.08 N ATOM 766 CA VAL A 74 8.808 6.102 43.435 1.00 27.99 C ATOM 767 C VAL A 74 8.326 7.565 43.456 1.00 23.91 C ATOM 768 O VAL A 74 8.188 8.131 44.539 1.00 27.27 O ATOM 769 CB VAL A 74 10.308 6.030 43.024 1.00 26.11 C ATOM 770 CG1 VAL A 74 11.236 6.915 43.882 1.00 30.20 C ATOM 771 CG2 VAL A 74 10.829 4.579 43.047 1.00 34.73 C ATOM 772 H VAL A 74 8.351 5.310 41.519 1.00 0.00 H ATOM 773 N ASN A 75 8.095 8.174 42.275 1.00 22.30 N ATOM 774 CA ASN A 75 7.639 9.556 42.069 1.00 17.58 C ATOM 775 C ASN A 75 8.679 10.570 42.596 1.00 16.17 C ATOM 776 O ASN A 75 8.371 11.398 43.454 1.00 16.46 O ATOM 777 CB ASN A 75 6.209 9.762 42.642 1.00 17.90 C ATOM 778 CG ASN A 75 5.538 11.072 42.202 1.00 18.28 C ATOM 779 OD1 ASN A 75 5.942 11.695 41.223 1.00 18.76 O ATOM 780 ND2 ASN A 75 4.523 11.514 42.947 1.00 19.69 N ATOM 781 H ASN A 75 8.239 7.625 41.441 1.00 0.00 H ATOM 782 HD22 ASN A 75 4.058 12.374 42.695 1.00 0.00 H ATOM 783 HD21 ASN A 75 4.225 10.991 43.758 1.00 0.00 H ATOM 784 N ALA A 76 9.923 10.485 42.098 1.00 15.78 N ATOM 785 CA ALA A 76 11.056 11.288 42.562 1.00 15.84 C ATOM 786 C ALA A 76 10.990 12.776 42.158 1.00 16.60 C ATOM 787 O ALA A 76 11.644 13.591 42.809 1.00 18.71 O ATOM 788 CB ALA A 76 12.346 10.677 42.001 1.00 19.70 C ATOM 789 H ALA A 76 10.117 9.773 41.406 1.00 0.00 H ATOM 790 N CYS A 77 10.191 13.144 41.139 1.00 15.43 N ATOM 791 CA CYS A 77 9.927 14.537 40.760 1.00 15.15 C ATOM 792 C CYS A 77 8.734 15.125 41.533 1.00 15.94 C ATOM 793 O CYS A 77 8.595 16.347 41.569 1.00 16.72 O ATOM 794 CB CYS A 77 9.576 14.616 39.261 1.00 15.14 C ATOM 795 SG CYS A 77 10.929 14.122 38.167 1.00 14.34 S ATOM 796 H CYS A 77 9.685 12.424 40.638 1.00 0.00 H ATOM 797 N HIS A 78 7.877 14.275 42.130 1.00 15.99 N ATOM 798 CA HIS A 78 6.708 14.636 42.940 1.00 16.71 C ATOM 799 C HIS A 78 5.605 15.305 42.099 1.00 17.72 C ATOM 800 O HIS A 78 4.947 16.244 42.548 1.00 18.21 O ATOM 801 CB HIS A 78 7.090 15.382 44.239 1.00 25.66 C ATOM 802 CG HIS A 78 7.910 14.538 45.184 1.00 30.49 C ATOM 803 ND1 HIS A 78 9.276 14.355 45.049 1.00 33.57 N ATOM 804 CD2 HIS A 78 7.538 13.759 46.259 1.00 31.11 C ATOM 805 CE1 HIS A 78 9.657 13.507 46.009 1.00 32.40 C ATOM 806 NE2 HIS A 78 8.656 13.107 46.783 1.00 35.66 N ATOM 807 H HIS A 78 8.073 13.286 42.053 1.00 0.00 H ATOM 808 HD1 HIS A 78 9.869 14.757 44.338 1.00 0.00 H ATOM 809 N LEU A 79 5.444 14.821 40.858 1.00 15.10 N ATOM 810 CA LEU A 79 4.465 15.260 39.872 1.00 16.14 C ATOM 811 C LEU A 79 3.501 14.120 39.540 1.00 14.36 C ATOM 812 O LEU A 79 3.871 12.946 39.554 1.00 16.77 O ATOM 813 CB LEU A 79 5.189 15.628 38.556 1.00 20.57 C ATOM 814 CG LEU A 79 5.960 16.959 38.552 1.00 27.66 C ATOM 815 CD1 LEU A 79 6.742 17.083 37.239 1.00 29.20 C ATOM 816 CD2 LEU A 79 5.037 18.177 38.727 1.00 32.17 C ATOM 817 H LEU A 79 6.024 14.038 40.592 1.00 0.00 H ATOM 818 N SER A 80 2.292 14.500 39.106 1.00 12.78 N ATOM 819 CA SER A 80 1.431 13.655 38.288 1.00 13.23 C ATOM 820 C SER A 80 2.028 13.606 36.869 1.00 12.09 C ATOM 821 O SER A 80 2.485 14.630 36.360 1.00 12.94 O ATOM 822 CB SER A 80 0.024 14.286 38.240 1.00 14.70 C ATOM 823 OG SER A 80 -0.864 13.511 37.455 1.00 14.92 O ATOM 824 H SER A 80 2.075 15.486 39.120 1.00 0.00 H ATOM 825 HG SER A 80 -0.994 12.677 37.882 1.00 0.00 H ATOM 826 N CYS A 81 2.001 12.433 36.216 1.00 12.15 N ATOM 827 CA CYS A 81 2.480 12.252 34.841 1.00 11.82 C ATOM 828 C CYS A 81 1.658 13.031 33.793 1.00 11.57 C ATOM 829 O CYS A 81 2.148 13.254 32.687 1.00 13.13 O ATOM 830 CB CYS A 81 2.459 10.763 34.468 1.00 13.14 C ATOM 831 SG CYS A 81 3.592 9.641 35.336 1.00 13.20 S ATOM 832 H CYS A 81 1.635 11.620 36.696 1.00 0.00 H ATOM 833 N SER A 82 0.441 13.482 34.149 1.00 12.73 N ATOM 834 CA SER A 82 -0.408 14.369 33.351 1.00 13.54 C ATOM 835 C SER A 82 0.167 15.795 33.202 1.00 11.95 C ATOM 836 O SER A 82 -0.170 16.476 32.234 1.00 13.03 O ATOM 837 CB ASER A 82 -1.820 14.406 33.979 0.60 17.55 C ATOM 838 CB BSER A 82 -1.700 14.550 34.238 0.40 15.56 C ATOM 839 OG ASER A 82 -1.883 15.135 35.192 0.60 18.83 O ATOM 840 OG BSER A 82 -2.531 15.491 33.556 0.40 19.98 O ATOM 841 H SER A 82 0.115 13.256 35.078 1.00 0.00 H ATOM 842 HG ASER A 82 -1.440 14.645 35.872 0.60 0.00 H ATOM 843 HG BSER A 82 -3.355 15.598 34.036 0.40 0.00 H ATOM 844 N ALA A 83 1.065 16.224 34.111 1.00 12.11 N ATOM 845 CA ALA A 83 1.778 17.503 34.050 1.00 12.56 C ATOM 846 C ALA A 83 2.854 17.523 32.949 1.00 13.55 C ATOM 847 O ALA A 83 3.252 18.598 32.503 1.00 15.23 O ATOM 848 CB ALA A 83 2.467 17.755 35.402 1.00 15.16 C ATOM 849 H ALA A 83 1.306 15.604 34.872 1.00 0.00 H ATOM 850 N LEU A 84 3.294 16.340 32.490 1.00 12.54 N ATOM 851 CA LEU A 84 4.256 16.149 31.407 1.00 12.71 C ATOM 852 C LEU A 84 3.558 16.063 30.032 1.00 13.40 C ATOM 853 O LEU A 84 4.251 15.988 29.020 1.00 16.08 O ATOM 854 CB LEU A 84 5.007 14.820 31.653 1.00 14.18 C ATOM 855 CG LEU A 84 5.673 14.683 33.042 1.00 17.81 C ATOM 856 CD1 LEU A 84 6.263 13.280 33.196 1.00 20.67 C ATOM 857 CD2 LEU A 84 6.755 15.741 33.280 1.00 21.32 C ATOM 858 H LEU A 84 2.907 15.504 32.904 1.00 0.00 H ATOM 859 N LEU A 85 2.213 16.101 29.986 1.00 12.93 N ATOM 860 CA LEU A 85 1.399 16.085 28.767 1.00 13.54 C ATOM 861 C LEU A 85 0.791 17.462 28.437 1.00 13.88 C ATOM 862 O LEU A 85 -0.015 17.566 27.511 1.00 16.87 O ATOM 863 CB LEU A 85 0.289 15.017 28.898 1.00 13.39 C ATOM 864 CG LEU A 85 0.794 13.562 29.021 1.00 13.51 C ATOM 865 CD1 LEU A 85 -0.401 12.608 29.172 1.00 18.29 C ATOM 866 CD2 LEU A 85 1.679 13.140 27.832 1.00 16.82 C ATOM 867 H LEU A 85 1.714 16.167 30.863 1.00 0.00 H ATOM 868 N GLN A 86 1.208 18.525 29.144 1.00 14.21 N ATOM 869 CA GLN A 86 0.833 19.916 28.886 1.00 14.01 C ATOM 870 C GLN A 86 1.651 20.480 27.710 1.00 14.22 C ATOM 871 O GLN A 86 2.786 20.059 27.480 1.00 16.42 O ATOM 872 CB GLN A 86 1.199 20.758 30.125 1.00 15.40 C ATOM 873 CG GLN A 86 0.405 20.412 31.394 1.00 18.36 C ATOM 874 CD GLN A 86 0.755 21.379 32.526 1.00 22.98 C ATOM 875 OE1 GLN A 86 0.191 22.467 32.614 1.00 25.88 O ATOM 876 NE2 GLN A 86 1.688 20.985 33.393 1.00 27.04 N ATOM 877 H GLN A 86 1.888 18.365 29.873 1.00 0.00 H ATOM 878 HE22 GLN A 86 1.966 21.580 34.164 1.00 0.00 H ATOM 879 HE21 GLN A 86 2.163 20.103 33.253 1.00 0.00 H ATOM 880 N ASP A 87 1.098 21.483 27.004 1.00 13.89 N ATOM 881 CA ASP A 87 1.798 22.254 25.965 1.00 14.61 C ATOM 882 C ASP A 87 2.906 23.152 26.549 1.00 16.13 C ATOM 883 O ASP A 87 3.906 23.396 25.874 1.00 20.65 O ATOM 884 CB ASP A 87 0.802 23.146 25.184 1.00 15.52 C ATOM 885 CG ASP A 87 -0.276 22.398 24.390 1.00 15.85 C ATOM 886 OD1 ASP A 87 -0.116 21.176 24.171 1.00 18.46 O ATOM 887 OD2 ASP A 87 -1.226 23.085 23.959 1.00 18.72 O1- ATOM 888 H ASP A 87 0.155 21.764 27.229 1.00 0.00 H ATOM 889 N ASN A 88 2.745 23.597 27.808 1.00 15.81 N ATOM 890 CA ASN A 88 3.758 24.287 28.602 1.00 17.79 C ATOM 891 C ASN A 88 4.645 23.203 29.242 1.00 16.08 C ATOM 892 O ASN A 88 4.145 22.322 29.941 1.00 19.07 O ATOM 893 CB ASN A 88 3.030 25.087 29.710 1.00 20.11 C ATOM 894 CG ASN A 88 3.945 26.096 30.413 1.00 22.92 C ATOM 895 OD1 ASN A 88 4.851 25.711 31.148 1.00 26.75 O ATOM 896 ND2 ASN A 88 3.725 27.391 30.179 1.00 44.22 N ATOM 897 H ASN A 88 1.897 23.335 28.288 1.00 0.00 H ATOM 898 HD22 ASN A 88 4.311 28.082 30.625 1.00 0.00 H ATOM 899 HD21 ASN A 88 2.970 27.678 29.574 1.00 0.00 H ATOM 900 N ILE A 89 5.960 23.278 28.991 1.00 12.57 N ATOM 901 CA ILE A 89 6.936 22.254 29.371 1.00 12.70 C ATOM 902 C ILE A 89 7.727 22.623 30.642 1.00 11.43 C ATOM 903 O ILE A 89 8.753 22.000 30.897 1.00 12.56 O ATOM 904 CB ILE A 89 7.881 21.972 28.164 1.00 12.99 C ATOM 905 CG1 ILE A 89 8.766 23.172 27.740 1.00 14.29 C ATOM 906 CG2 ILE A 89 7.082 21.404 26.976 1.00 16.72 C ATOM 907 CD1 ILE A 89 9.889 22.781 26.769 1.00 17.23 C ATOM 908 H ILE A 89 6.295 24.040 28.420 1.00 0.00 H ATOM 909 N ALA A 90 7.272 23.597 31.453 1.00 12.52 N ATOM 910 CA ALA A 90 7.948 24.042 32.679 1.00 11.88 C ATOM 911 C ALA A 90 8.095 22.936 33.743 1.00 12.16 C ATOM 912 O ALA A 90 9.166 22.818 34.337 1.00 12.58 O ATOM 913 CB ALA A 90 7.202 25.245 33.272 1.00 16.43 C ATOM 914 H ALA A 90 6.415 24.070 31.201 1.00 0.00 H ATOM 915 N ASP A 91 7.058 22.099 33.937 1.00 12.34 N ATOM 916 CA ASP A 91 7.078 20.947 34.849 1.00 13.06 C ATOM 917 C ASP A 91 7.867 19.759 34.271 1.00 13.27 C ATOM 918 O ASP A 91 8.475 19.013 35.040 1.00 14.41 O ATOM 919 CB ASP A 91 5.635 20.469 35.150 1.00 16.70 C ATOM 920 CG ASP A 91 4.772 21.484 35.908 1.00 21.64 C ATOM 921 OD1 ASP A 91 5.348 22.271 36.692 1.00 25.67 O ATOM 922 OD2 ASP A 91 3.539 21.438 35.708 1.00 30.98 O1- ATOM 923 H ASP A 91 6.208 22.263 33.416 1.00 0.00 H ATOM 924 N ALA A 92 7.907 19.604 32.935 1.00 12.68 N ATOM 925 CA ALA A 92 8.699 18.582 32.249 1.00 12.92 C ATOM 926 C ALA A 92 10.201 18.891 32.296 1.00 11.99 C ATOM 927 O ALA A 92 11.000 17.970 32.446 1.00 13.19 O ATOM 928 CB ALA A 92 8.240 18.479 30.785 1.00 14.28 C ATOM 929 H ALA A 92 7.396 20.261 32.363 1.00 0.00 H ATOM 930 N VAL A 93 10.575 20.180 32.230 1.00 11.60 N ATOM 931 CA VAL A 93 11.938 20.678 32.399 1.00 11.58 C ATOM 932 C VAL A 93 12.384 20.586 33.870 1.00 10.95 C ATOM 933 O VAL A 93 13.528 20.213 34.112 1.00 12.78 O ATOM 934 CB VAL A 93 12.020 22.129 31.846 1.00 12.54 C ATOM 935 CG1 VAL A 93 13.262 22.906 32.316 1.00 15.10 C ATOM 936 CG2 VAL A 93 11.981 22.113 30.306 1.00 14.14 C ATOM 937 H VAL A 93 9.853 20.872 32.077 1.00 0.00 H ATOM 938 N ALA A 94 11.498 20.864 34.844 1.00 11.32 N ATOM 939 CA ALA A 94 11.787 20.761 36.279 1.00 14.03 C ATOM 940 C ALA A 94 12.049 19.312 36.728 1.00 11.77 C ATOM 941 O ALA A 94 12.895 19.085 37.594 1.00 13.70 O ATOM 942 CB ALA A 94 10.602 21.334 37.070 1.00 15.14 C ATOM 943 H ALA A 94 10.573 21.176 34.579 1.00 0.00 H ATOM 944 N CYS A 95 11.364 18.339 36.105 1.00 11.92 N ATOM 945 CA CYS A 95 11.549 16.913 36.352 1.00 11.46 C ATOM 946 C CYS A 95 12.728 16.342 35.547 1.00 10.97 C ATOM 947 O CYS A 95 13.412 15.460 36.057 1.00 12.53 O ATOM 948 CB CYS A 95 10.249 16.185 35.977 1.00 12.67 C ATOM 949 SG CYS A 95 10.185 14.395 36.289 1.00 13.56 S ATOM 950 H CYS A 95 10.675 18.607 35.415 1.00 0.00 H ATOM 951 N ALA A 96 13.027 16.868 34.345 1.00 10.42 N ATOM 952 CA ALA A 96 14.213 16.502 33.563 1.00 11.09 C ATOM 953 C ALA A 96 15.511 16.993 34.227 1.00 11.76 C ATOM 954 O ALA A 96 16.528 16.307 34.145 1.00 13.14 O ATOM 955 CB ALA A 96 14.108 17.107 32.156 1.00 13.08 C ATOM 956 H ALA A 96 12.420 17.580 33.962 1.00 0.00 H ATOM 957 N LYS A 97 15.454 18.131 34.944 1.00 11.55 N ATOM 958 CA LYS A 97 16.514 18.646 35.807 1.00 11.67 C ATOM 959 C LYS A 97 16.748 17.729 37.019 1.00 11.49 C ATOM 960 O LYS A 97 17.901 17.460 37.345 1.00 14.28 O ATOM 961 CB LYS A 97 16.149 20.061 36.291 1.00 12.72 C ATOM 962 CG LYS A 97 16.418 21.153 35.246 1.00 12.67 C ATOM 963 CD LYS A 97 16.004 22.536 35.756 1.00 13.88 C ATOM 964 CE LYS A 97 16.281 23.651 34.743 1.00 14.34 C ATOM 965 NZ LYS A 97 15.906 24.959 35.301 1.00 16.93 N1+ ATOM 966 H LYS A 97 14.587 18.651 34.927 1.00 0.00 H ATOM 967 HZ1 LYS A 97 15.992 25.661 34.576 1.00 0.00 H ATOM 968 HZ2 LYS A 97 14.946 24.931 35.612 1.00 0.00 H ATOM 969 HZ3 LYS A 97 16.509 25.190 36.076 1.00 0.00 H ATOM 970 N ARG A 98 15.673 17.214 37.649 1.00 12.01 N ATOM 971 CA ARG A 98 15.731 16.234 38.738 1.00 12.87 C ATOM 972 C ARG A 98 16.375 14.903 38.308 1.00 12.26 C ATOM 973 O ARG A 98 17.182 14.371 39.069 1.00 14.55 O ATOM 974 CB ARG A 98 14.318 16.029 39.345 1.00 13.46 C ATOM 975 CG ARG A 98 14.161 14.872 40.359 1.00 14.92 C ATOM 976 CD ARG A 98 15.007 15.024 41.632 1.00 17.52 C ATOM 977 NE ARG A 98 15.047 13.775 42.407 1.00 17.98 N ATOM 978 CZ ARG A 98 16.023 12.848 42.369 1.00 18.76 C ATOM 979 NH1 ARG A 98 17.058 12.948 41.526 1.00 21.63 N ATOM 980 NH2 ARG A 98 15.965 11.789 43.185 1.00 21.98 N1+ ATOM 981 H ARG A 98 14.757 17.478 37.314 1.00 0.00 H ATOM 982 HE ARG A 98 14.257 13.615 43.016 1.00 0.00 H ATOM 983 HH12 ARG A 98 17.804 12.250 41.525 1.00 0.00 H ATOM 984 HH11 ARG A 98 17.092 13.686 40.834 1.00 0.00 H ATOM 985 HH22 ARG A 98 16.693 11.088 43.147 1.00 0.00 H ATOM 986 HH21 ARG A 98 15.204 11.678 43.838 1.00 0.00 H ATOM 987 N VAL A 99 16.061 14.395 37.101 1.00 11.86 N ATOM 988 CA VAL A 99 16.634 13.175 36.512 1.00 12.33 C ATOM 989 C VAL A 99 18.170 13.240 36.435 1.00 12.78 C ATOM 990 O VAL A 99 18.842 12.297 36.851 1.00 14.35 O ATOM 991 CB VAL A 99 15.999 12.882 35.119 1.00 12.64 C ATOM 992 CG1 VAL A 99 16.697 11.742 34.344 1.00 14.52 C ATOM 993 CG2 VAL A 99 14.495 12.567 35.203 1.00 14.42 C ATOM 994 H VAL A 99 15.374 14.888 36.546 1.00 0.00 H ATOM 995 N VAL A 100 18.713 14.358 35.925 1.00 13.05 N ATOM 996 CA VAL A 100 20.145 14.521 35.685 1.00 12.65 C ATOM 997 C VAL A 100 20.927 14.984 36.930 1.00 14.23 C ATOM 998 O VAL A 100 22.153 15.026 36.854 1.00 17.68 O ATOM 999 CB VAL A 100 20.380 15.482 34.490 1.00 12.79 C ATOM 1000 CG1 VAL A 100 19.714 14.942 33.214 1.00 14.07 C ATOM 1001 CG2 VAL A 100 19.963 16.941 34.739 1.00 14.57 C ATOM 1002 H VAL A 100 18.098 15.099 35.617 1.00 0.00 H ATOM 1003 N ARG A 101 20.267 15.274 38.072 1.00 15.12 N ATOM 1004 CA ARG A 101 20.930 15.489 39.368 1.00 17.78 C ATOM 1005 C ARG A 101 21.406 14.175 40.019 1.00 20.08 C ATOM 1006 O ARG A 101 22.267 14.234 40.897 1.00 23.74 O ATOM 1007 CB ARG A 101 20.012 16.246 40.355 1.00 18.42 C ATOM 1008 CG ARG A 101 19.953 17.760 40.075 1.00 18.87 C ATOM 1009 CD ARG A 101 19.425 18.598 41.248 1.00 18.67 C ATOM 1010 NE ARG A 101 18.055 18.238 41.644 1.00 20.24 N ATOM 1011 CZ ARG A 101 16.918 18.759 41.151 1.00 16.31 C ATOM 1012 NH1 ARG A 101 16.921 19.610 40.115 1.00 19.85 N ATOM 1013 NH2 ARG A 101 15.750 18.422 41.710 1.00 21.13 N1+ ATOM 1014 H ARG A 101 19.257 15.229 38.066 1.00 0.00 H ATOM 1015 HE ARG A 101 17.988 17.562 42.390 1.00 0.00 H ATOM 1016 HH12 ARG A 101 16.056 19.991 39.760 1.00 0.00 H ATOM 1017 HH11 ARG A 101 17.793 19.863 39.667 1.00 0.00 H ATOM 1018 HH22 ARG A 101 14.885 18.809 41.361 1.00 0.00 H ATOM 1019 HH21 ARG A 101 15.726 17.811 42.514 1.00 0.00 H ATOM 1020 N ASP A 102 20.935 13.003 39.552 1.00 17.13 N ATOM 1021 CA ASP A 102 21.527 11.699 39.876 1.00 18.60 C ATOM 1022 C ASP A 102 22.850 11.508 39.095 1.00 18.33 C ATOM 1023 O ASP A 102 22.997 12.101 38.022 1.00 17.88 O ATOM 1024 CB ASP A 102 20.553 10.550 39.512 1.00 25.63 C ATOM 1025 CG ASP A 102 19.376 10.373 40.479 1.00 29.45 C ATOM 1026 OD1 ASP A 102 19.199 11.224 41.379 1.00 31.08 O ATOM 1027 OD2 ASP A 102 18.673 9.353 40.318 1.00 39.39 O1- ATOM 1028 H ASP A 102 20.227 13.021 38.831 1.00 0.00 H ATOM 1029 N PRO A 103 23.815 10.707 39.617 1.00 21.13 N ATOM 1030 CA PRO A 103 25.160 10.483 39.042 1.00 24.39 C ATOM 1031 C PRO A 103 25.247 10.156 37.542 1.00 20.09 C ATOM 1032 O PRO A 103 26.219 10.541 36.894 1.00 18.73 O ATOM 1033 CB PRO A 103 25.751 9.315 39.844 1.00 27.01 C ATOM 1034 CG PRO A 103 25.064 9.386 41.191 1.00 27.24 C ATOM 1035 CD PRO A 103 23.697 9.999 40.899 1.00 23.20 C ATOM 1036 N GLN A 104 24.237 9.453 37.003 1.00 18.34 N ATOM 1037 CA GLN A 104 24.165 8.982 35.621 1.00 21.23 C ATOM 1038 C GLN A 104 24.032 10.139 34.608 1.00 17.94 C ATOM 1039 O GLN A 104 24.524 10.030 33.485 1.00 18.00 O ATOM 1040 CB GLN A 104 22.953 8.025 35.525 1.00 24.12 C ATOM 1041 CG GLN A 104 23.131 6.913 34.473 1.00 47.13 C ATOM 1042 CD GLN A 104 21.965 5.925 34.356 1.00 47.32 C ATOM 1043 OE1 GLN A 104 22.055 4.973 33.586 1.00 60.39 O ATOM 1044 NE2 GLN A 104 20.870 6.124 35.095 1.00 62.61 N ATOM 1045 H GLN A 104 23.476 9.189 37.612 1.00 0.00 H ATOM 1046 HE22 GLN A 104 20.100 5.475 35.027 1.00 0.00 H ATOM 1047 HE21 GLN A 104 20.817 6.913 35.722 1.00 0.00 H ATOM 1048 N GLY A 105 23.401 11.256 35.013 1.00 16.59 N ATOM 1049 CA GLY A 105 23.160 12.425 34.178 1.00 17.91 C ATOM 1050 C GLY A 105 22.122 12.130 33.092 1.00 15.90 C ATOM 1051 O GLY A 105 21.124 11.454 33.348 1.00 17.09 O ATOM 1052 H GLY A 105 23.053 11.288 35.962 1.00 0.00 H ATOM 1053 N ILE A 106 22.373 12.637 31.875 1.00 15.81 N ATOM 1054 CA ILE A 106 21.537 12.441 30.687 1.00 17.11 C ATOM 1055 C ILE A 106 21.655 11.018 30.078 1.00 15.80 C ATOM 1056 O ILE A 106 20.874 10.675 29.190 1.00 16.82 O ATOM 1057 CB ILE A 106 21.877 13.557 29.659 1.00 17.55 C ATOM 1058 CG1 ILE A 106 20.840 13.639 28.514 1.00 19.14 C ATOM 1059 CG2 ILE A 106 23.323 13.479 29.123 1.00 21.03 C ATOM 1060 CD1 ILE A 106 20.763 15.007 27.827 1.00 17.90 C ATOM 1061 H ILE A 106 23.210 13.187 31.753 1.00 0.00 H ATOM 1062 N ARG A 107 22.558 10.158 30.589 1.00 16.58 N ATOM 1063 CA ARG A 107 22.642 8.734 30.234 1.00 17.13 C ATOM 1064 C ARG A 107 21.521 7.898 30.878 1.00 20.36 C ATOM 1065 O ARG A 107 21.404 6.721 30.550 1.00 21.86 O ATOM 1066 CB ARG A 107 24.000 8.150 30.677 1.00 18.94 C ATOM 1067 CG ARG A 107 25.170 8.719 29.876 1.00 23.89 C ATOM 1068 CD ARG A 107 26.543 8.362 30.455 1.00 39.98 C ATOM 1069 NE ARG A 107 27.556 9.240 29.859 1.00 47.72 N ATOM 1070 CZ ARG A 107 27.765 10.520 30.213 1.00 67.00 C ATOM 1071 NH1 ARG A 107 27.120 11.081 31.250 1.00 74.07 N ATOM 1072 NH2 ARG A 107 28.626 11.255 29.502 1.00 64.71 N1+ ATOM 1073 H ARG A 107 23.160 10.486 31.331 1.00 0.00 H ATOM 1074 HE ARG A 107 28.058 8.864 29.065 1.00 0.00 H ATOM 1075 HH12 ARG A 107 27.293 12.042 31.504 1.00 0.00 H ATOM 1076 HH11 ARG A 107 26.471 10.534 31.799 1.00 0.00 H ATOM 1077 HH22 ARG A 107 28.803 12.219 29.747 1.00 0.00 H ATOM 1078 HH21 ARG A 107 29.122 10.847 28.722 1.00 0.00 H ATOM 1079 N ALA A 108 20.664 8.490 31.731 1.00 18.54 N ATOM 1080 CA ALA A 108 19.431 7.889 32.247 1.00 21.58 C ATOM 1081 C ALA A 108 18.442 7.492 31.134 1.00 18.41 C ATOM 1082 O ALA A 108 17.742 6.489 31.270 1.00 24.26 O ATOM 1083 CB ALA A 108 18.775 8.874 33.225 1.00 25.52 C ATOM 1084 H ALA A 108 20.827 9.460 31.963 1.00 0.00 H ATOM 1085 N TRP A 109 18.442 8.240 30.020 1.00 16.15 N ATOM 1086 CA TRP A 109 17.741 7.918 28.784 1.00 16.79 C ATOM 1087 C TRP A 109 18.710 7.185 27.845 1.00 15.57 C ATOM 1088 O TRP A 109 19.773 7.710 27.507 1.00 17.44 O ATOM 1089 CB TRP A 109 17.322 9.240 28.123 1.00 14.21 C ATOM 1090 CG TRP A 109 16.288 10.026 28.875 1.00 14.22 C ATOM 1091 CD1 TRP A 109 14.957 9.797 28.843 1.00 17.01 C ATOM 1092 CD2 TRP A 109 16.470 11.193 29.735 1.00 13.07 C ATOM 1093 NE1 TRP A 109 14.306 10.735 29.615 1.00 16.16 N ATOM 1094 CE2 TRP A 109 15.185 11.642 30.169 1.00 14.95 C ATOM 1095 CE3 TRP A 109 17.588 11.936 30.175 1.00 14.74 C ATOM 1096 CZ2 TRP A 109 15.017 12.783 30.974 1.00 16.94 C ATOM 1097 CZ3 TRP A 109 17.434 13.083 30.979 1.00 14.74 C ATOM 1098 CH2 TRP A 109 16.152 13.511 31.376 1.00 16.52 C ATOM 1099 H TRP A 109 19.059 9.039 29.991 1.00 0.00 H ATOM 1100 HE1 TRP A 109 13.298 10.768 29.678 1.00 0.00 H ATOM 1101 N VAL A 110 18.329 5.967 27.419 1.00 18.17 N ATOM 1102 CA VAL A 110 19.120 5.112 26.527 1.00 20.77 C ATOM 1103 C VAL A 110 19.144 5.637 25.080 1.00 18.43 C ATOM 1104 O VAL A 110 20.102 5.359 24.363 1.00 20.67 O ATOM 1105 CB VAL A 110 18.584 3.653 26.554 1.00 28.20 C ATOM 1106 CG1 VAL A 110 18.654 3.049 27.967 1.00 32.48 C ATOM 1107 CG2 VAL A 110 17.174 3.468 25.956 1.00 32.96 C ATOM 1108 H VAL A 110 17.445 5.602 27.742 1.00 0.00 H ATOM 1109 N ALA A 111 18.130 6.420 24.663 1.00 18.39 N ATOM 1110 CA ALA A 111 18.041 7.026 23.334 1.00 20.08 C ATOM 1111 C ALA A 111 19.120 8.096 23.120 1.00 17.47 C ATOM 1112 O ALA A 111 19.593 8.244 21.997 1.00 19.35 O ATOM 1113 CB ALA A 111 16.661 7.672 23.151 1.00 21.74 C ATOM 1114 H ALA A 111 17.378 6.616 25.309 1.00 0.00 H ATOM 1115 N TRP A 112 19.558 8.785 24.191 1.00 16.39 N ATOM 1116 CA TRP A 112 20.690 9.708 24.155 1.00 14.27 C ATOM 1117 C TRP A 112 22.023 8.959 23.971 1.00 14.94 C ATOM 1118 O TRP A 112 22.895 9.463 23.268 1.00 14.58 O ATOM 1119 CB TRP A 112 20.732 10.550 25.446 1.00 14.56 C ATOM 1120 CG TRP A 112 21.811 11.595 25.462 1.00 15.83 C ATOM 1121 CD1 TRP A 112 21.693 12.854 24.983 1.00 15.71 C ATOM 1122 CD2 TRP A 112 23.191 11.468 25.925 1.00 15.54 C ATOM 1123 NE1 TRP A 112 22.912 13.494 25.070 1.00 15.81 N ATOM 1124 CE2 TRP A 112 23.877 12.685 25.632 1.00 16.34 C ATOM 1125 CE3 TRP A 112 23.942 10.440 26.546 1.00 16.24 C ATOM 1126 CZ2 TRP A 112 25.241 12.868 25.919 1.00 19.60 C ATOM 1127 CZ3 TRP A 112 25.307 10.619 26.850 1.00 19.22 C ATOM 1128 CH2 TRP A 112 25.958 11.827 26.534 1.00 21.44 C ATOM 1129 H TRP A 112 19.130 8.604 25.088 1.00 0.00 H ATOM 1130 HE1 TRP A 112 23.067 14.432 24.725 1.00 0.00 H ATOM 1131 N ARG A 113 22.182 7.752 24.542 1.00 15.14 N ATOM 1132 CA ARG A 113 23.387 6.935 24.363 1.00 16.43 C ATOM 1133 C ARG A 113 23.515 6.426 22.917 1.00 17.09 C ATOM 1134 O ARG A 113 24.624 6.357 22.390 1.00 18.84 O ATOM 1135 CB ARG A 113 23.364 5.703 25.286 1.00 19.05 C ATOM 1136 CG ARG A 113 23.189 5.990 26.783 1.00 21.06 C ATOM 1137 CD ARG A 113 23.337 4.692 27.592 1.00 31.33 C ATOM 1138 NE ARG A 113 22.597 4.736 28.857 1.00 32.96 N ATOM 1139 CZ ARG A 113 22.247 3.670 29.597 1.00 39.44 C ATOM 1140 NH1 ARG A 113 22.564 2.422 29.227 1.00 48.10 N ATOM 1141 NH2 ARG A 113 21.568 3.859 30.733 1.00 49.31 N1+ ATOM 1142 H ARG A 113 21.425 7.367 25.088 1.00 0.00 H ATOM 1143 HE ARG A 113 22.334 5.651 29.202 1.00 0.00 H ATOM 1144 HH12 ARG A 113 22.295 1.633 29.796 1.00 0.00 H ATOM 1145 HH11 ARG A 113 23.079 2.263 28.373 1.00 0.00 H ATOM 1146 HH22 ARG A 113 21.305 3.083 31.322 1.00 0.00 H ATOM 1147 HH21 ARG A 113 21.339 4.802 31.028 1.00 0.00 H ATOM 1148 N ASN A 114 22.375 6.092 22.287 1.00 15.91 N ATOM 1149 CA ASN A 114 22.293 5.524 20.945 1.00 17.99 C ATOM 1150 C ASN A 114 22.429 6.604 19.858 1.00 15.89 C ATOM 1151 O ASN A 114 23.071 6.343 18.842 1.00 20.21 O ATOM 1152 CB ASN A 114 20.912 4.841 20.749 1.00 22.77 C ATOM 1153 CG ASN A 114 20.625 3.656 21.681 1.00 26.98 C ATOM 1154 OD1 ASN A 114 21.518 3.113 22.326 1.00 28.93 O ATOM 1155 ND2 ASN A 114 19.352 3.263 21.771 1.00 33.78 N ATOM 1156 H ASN A 114 21.511 6.175 22.806 1.00 0.00 H ATOM 1157 HD22 ASN A 114 19.115 2.495 22.382 1.00 0.00 H ATOM 1158 HD21 ASN A 114 18.634 3.730 21.238 1.00 0.00 H ATOM 1159 N ARG A 115 21.813 7.785 20.049 1.00 16.64 N ATOM 1160 CA ARG A 115 21.603 8.791 19.003 1.00 17.38 C ATOM 1161 C ARG A 115 22.409 10.087 19.184 1.00 17.46 C ATOM 1162 O ARG A 115 22.424 10.886 18.248 1.00 20.36 O ATOM 1163 CB ARG A 115 20.110 9.192 18.986 1.00 18.38 C ATOM 1164 CG ARG A 115 19.120 8.051 18.697 1.00 24.94 C ATOM 1165 CD ARG A 115 19.132 7.625 17.226 1.00 30.28 C ATOM 1166 NE ARG A 115 18.091 6.628 16.952 1.00 32.22 N ATOM 1167 CZ ARG A 115 17.659 6.271 15.731 1.00 32.89 C ATOM 1168 NH1 ARG A 115 18.152 6.844 14.623 1.00 35.05 N ATOM 1169 NH2 ARG A 115 16.721 5.323 15.618 1.00 36.35 N1+ ATOM 1170 H ARG A 115 21.313 7.924 20.918 1.00 0.00 H ATOM 1171 HE ARG A 115 17.701 6.160 17.758 1.00 0.00 H ATOM 1172 HH12 ARG A 115 17.823 6.568 13.709 1.00 0.00 H ATOM 1173 HH11 ARG A 115 18.850 7.569 14.700 1.00 0.00 H ATOM 1174 HH22 ARG A 115 16.385 5.040 14.709 1.00 0.00 H ATOM 1175 HH21 ARG A 115 16.336 4.883 16.442 1.00 0.00 H ATOM 1176 N CYS A 116 23.024 10.337 20.354 1.00 15.08 N ATOM 1177 CA CYS A 116 23.573 11.652 20.722 1.00 14.67 C ATOM 1178 C CYS A 116 24.998 11.587 21.279 1.00 16.40 C ATOM 1179 O CYS A 116 25.790 12.490 21.006 1.00 18.54 O ATOM 1180 CB CYS A 116 22.628 12.374 21.703 1.00 14.17 C ATOM 1181 SG CYS A 116 20.892 12.480 21.199 1.00 14.27 S ATOM 1182 H CYS A 116 22.967 9.641 21.085 1.00 0.00 H ATOM 1183 N GLN A 117 25.326 10.542 22.057 1.00 16.23 N ATOM 1184 CA GLN A 117 26.612 10.385 22.734 1.00 18.20 C ATOM 1185 C GLN A 117 27.710 10.055 21.716 1.00 20.42 C ATOM 1186 O GLN A 117 27.559 9.131 20.916 1.00 20.59 O ATOM 1187 CB GLN A 117 26.510 9.242 23.764 1.00 19.87 C ATOM 1188 CG GLN A 117 27.732 9.178 24.710 1.00 23.21 C ATOM 1189 CD GLN A 117 27.716 8.047 25.744 1.00 24.24 C ATOM 1190 OE1 GLN A 117 28.505 8.075 26.685 1.00 33.47 O ATOM 1191 NE2 GLN A 117 26.826 7.062 25.606 1.00 37.16 N ATOM 1192 H GLN A 117 24.616 9.850 22.253 1.00 0.00 H ATOM 1193 HE22 GLN A 117 26.810 6.307 26.275 1.00 0.00 H ATOM 1194 HE21 GLN A 117 26.204 7.054 24.810 1.00 0.00 H ATOM 1195 N ASN A 118 28.799 10.838 21.754 1.00 23.71 N ATOM 1196 CA ASN A 118 29.998 10.717 20.915 1.00 28.55 C ATOM 1197 C ASN A 118 29.756 11.143 19.452 1.00 27.64 C ATOM 1198 O ASN A 118 30.561 10.822 18.579 1.00 33.21 O ATOM 1199 CB ASN A 118 30.707 9.341 21.049 1.00 34.02 C ATOM 1200 CG ASN A 118 31.107 8.988 22.486 1.00 36.99 C ATOM 1201 OD1 ASN A 118 31.716 9.796 23.184 1.00 41.09 O ATOM 1202 ND2 ASN A 118 30.734 7.793 22.948 1.00 45.69 N ATOM 1203 H ASN A 118 28.812 11.580 22.439 1.00 0.00 H ATOM 1204 HD22 ASN A 118 30.972 7.528 23.893 1.00 0.00 H ATOM 1205 HD21 ASN A 118 30.223 7.157 22.353 1.00 0.00 H ATOM 1206 N ARG A 119 28.647 11.854 19.190 1.00 26.95 N ATOM 1207 CA ARG A 119 28.271 12.405 17.892 1.00 29.41 C ATOM 1208 C ARG A 119 28.339 13.934 17.931 1.00 27.46 C ATOM 1209 O ARG A 119 28.268 14.551 18.996 1.00 28.03 O ATOM 1210 CB ARG A 119 26.818 12.009 17.561 1.00 27.29 C ATOM 1211 CG ARG A 119 26.577 10.495 17.472 1.00 29.07 C ATOM 1212 CD ARG A 119 25.329 10.191 16.636 1.00 33.27 C ATOM 1213 NE ARG A 119 24.863 8.809 16.821 1.00 34.40 N ATOM 1214 CZ ARG A 119 24.467 7.968 15.849 1.00 33.71 C ATOM 1215 NH1 ARG A 119 24.506 8.314 14.555 1.00 39.46 N ATOM 1216 NH2 ARG A 119 24.017 6.752 16.178 1.00 32.31 N1+ ATOM 1217 H ARG A 119 28.038 12.076 19.965 1.00 0.00 H ATOM 1218 HE ARG A 119 24.797 8.495 17.779 1.00 0.00 H ATOM 1219 HH12 ARG A 119 24.210 7.669 13.837 1.00 0.00 H ATOM 1220 HH11 ARG A 119 24.842 9.228 14.289 1.00 0.00 H ATOM 1221 HH22 ARG A 119 23.735 6.096 15.465 1.00 0.00 H ATOM 1222 HH21 ARG A 119 23.924 6.489 17.154 1.00 0.00 H ATOM 1223 N ASP A 120 28.402 14.536 16.734 1.00 30.41 N ATOM 1224 CA ASP A 120 28.219 15.965 16.511 1.00 27.35 C ATOM 1225 C ASP A 120 26.710 16.272 16.595 1.00 25.50 C ATOM 1226 O ASP A 120 25.926 15.774 15.786 1.00 30.21 O ATOM 1227 CB ASP A 120 28.797 16.303 15.111 1.00 31.42 C ATOM 1228 CG ASP A 120 28.834 17.795 14.754 1.00 38.14 C ATOM 1229 OD1 ASP A 120 28.430 18.619 15.603 1.00 41.12 O ATOM 1230 OD2 ASP A 120 29.307 18.095 13.636 1.00 34.42 O1- ATOM 1231 H ASP A 120 28.453 13.954 15.911 1.00 0.00 H ATOM 1232 N VAL A 121 26.323 17.077 17.598 1.00 22.52 N ATOM 1233 CA VAL A 121 24.941 17.432 17.934 1.00 21.13 C ATOM 1234 C VAL A 121 24.664 18.939 17.755 1.00 22.32 C ATOM 1235 O VAL A 121 23.569 19.394 18.080 1.00 18.74 O ATOM 1236 CB VAL A 121 24.573 16.913 19.356 1.00 22.58 C ATOM 1237 CG1 VAL A 121 24.535 15.376 19.425 1.00 30.69 C ATOM 1238 CG2 VAL A 121 25.471 17.477 20.473 1.00 25.84 C ATOM 1239 H VAL A 121 27.043 17.431 18.212 1.00 0.00 H ATOM 1240 N ARG A 122 25.614 19.718 17.201 1.00 27.46 N ATOM 1241 CA ARG A 122 25.458 21.137 16.841 1.00 27.65 C ATOM 1242 C ARG A 122 24.280 21.427 15.891 1.00 24.97 C ATOM 1243 O ARG A 122 23.700 22.511 15.967 1.00 25.46 O ATOM 1244 CB AARG A 122 26.810 21.673 16.306 0.50 29.85 C ATOM 1245 CB BARG A 122 26.848 21.527 16.242 0.50 28.87 C ATOM 1246 CG AARG A 122 26.774 22.775 15.217 0.50 34.26 C ATOM 1247 CG BARG A 122 28.061 21.210 17.122 0.50 37.32 C ATOM 1248 CD AARG A 122 28.152 23.363 14.887 0.50 33.83 C ATOM 1249 CD BARG A 122 27.907 22.022 18.426 0.50 40.48 C ATOM 1250 NE AARG A 122 29.113 22.304 14.546 0.50 37.37 N ATOM 1251 NE BARG A 122 26.936 23.095 18.208 0.50 40.95 N ATOM 1252 CZ AARG A 122 29.992 21.741 15.394 0.50 37.41 C ATOM 1253 CZ BARG A 122 26.457 23.895 19.152 0.50 41.42 C ATOM 1254 NH1AARG A 122 30.125 22.162 16.660 0.50 44.26 N ATOM 1255 NH1BARG A 122 26.123 23.403 20.334 0.50 44.41 N ATOM 1256 NH2AARG A 122 30.746 20.721 14.968 0.50 43.88 N1+ ATOM 1257 NH2BARG A 122 26.311 25.194 18.898 0.50 53.39 N1+ ATOM 1258 H ARG A 122 26.486 19.276 16.937 1.00 0.00 H ATOM 1259 HE AARG A 122 29.042 21.926 13.612 0.50 0.00 H ATOM 1260 HE BARG A 122 26.631 23.204 17.251 0.50 0.00 H ATOM 1261 HH12AARG A 122 30.783 21.718 17.284 0.50 0.00 H ATOM 1262 HH12BARG A 122 25.759 24.014 21.051 0.50 0.00 H ATOM 1263 HH11AARG A 122 29.561 22.929 16.995 0.50 0.00 H ATOM 1264 HH11BARG A 122 26.232 22.416 20.519 0.50 0.00 H ATOM 1265 HH22AARG A 122 31.398 20.270 15.592 0.50 0.00 H ATOM 1266 HH22BARG A 122 25.947 25.810 19.611 0.50 0.00 H ATOM 1267 HH21AARG A 122 30.581 20.308 14.060 0.50 0.00 H ATOM 1268 HH21BARG A 122 26.564 25.563 17.993 0.50 0.00 H ATOM 1269 N GLN A 123 23.930 20.464 15.020 1.00 26.01 N ATOM 1270 CA GLN A 123 22.850 20.541 14.035 1.00 28.19 C ATOM 1271 C GLN A 123 21.465 20.898 14.610 1.00 24.96 C ATOM 1272 O GLN A 123 20.659 21.514 13.914 1.00 26.43 O ATOM 1273 CB GLN A 123 22.787 19.239 13.210 1.00 33.36 C ATOM 1274 CG GLN A 123 22.477 17.957 14.021 1.00 45.52 C ATOM 1275 CD GLN A 123 22.225 16.702 13.178 1.00 48.33 C ATOM 1276 OE1 GLN A 123 22.329 15.594 13.698 1.00 50.12 O ATOM 1277 NE2 GLN A 123 21.914 16.838 11.886 1.00 61.45 N ATOM 1278 H GLN A 123 24.468 19.610 15.037 1.00 0.00 H ATOM 1279 HE22 GLN A 123 21.761 16.015 11.323 1.00 0.00 H ATOM 1280 HE21 GLN A 123 21.846 17.757 11.475 1.00 0.00 H ATOM 1281 N TYR A 124 21.194 20.524 15.872 1.00 21.23 N ATOM 1282 CA TYR A 124 19.892 20.681 16.515 1.00 20.57 C ATOM 1283 C TYR A 124 19.659 22.098 17.081 1.00 17.27 C ATOM 1284 O TYR A 124 18.516 22.418 17.406 1.00 19.70 O ATOM 1285 CB TYR A 124 19.781 19.656 17.663 1.00 20.32 C ATOM 1286 CG TYR A 124 19.869 18.204 17.224 1.00 17.15 C ATOM 1287 CD1 TYR A 124 18.837 17.628 16.454 1.00 23.75 C ATOM 1288 CD2 TYR A 124 20.993 17.427 17.565 1.00 19.77 C ATOM 1289 CE1 TYR A 124 18.945 16.295 16.009 1.00 24.75 C ATOM 1290 CE2 TYR A 124 21.118 16.108 17.096 1.00 21.05 C ATOM 1291 CZ TYR A 124 20.093 15.539 16.320 1.00 20.92 C ATOM 1292 OH TYR A 124 20.219 14.259 15.867 1.00 25.52 O ATOM 1293 H TYR A 124 21.912 20.039 16.392 1.00 0.00 H ATOM 1294 HH TYR A 124 21.088 13.912 16.006 1.00 0.00 H ATOM 1295 N VAL A 125 20.696 22.955 17.146 1.00 19.87 N ATOM 1296 CA VAL A 125 20.644 24.327 17.673 1.00 19.04 C ATOM 1297 C VAL A 125 21.133 25.394 16.677 1.00 21.10 C ATOM 1298 O VAL A 125 21.022 26.581 16.988 1.00 21.37 O ATOM 1299 CB VAL A 125 21.380 24.430 19.037 1.00 21.60 C ATOM 1300 CG1 VAL A 125 20.613 23.726 20.164 1.00 23.75 C ATOM 1301 CG2 VAL A 125 22.845 23.956 18.978 1.00 24.99 C ATOM 1302 H VAL A 125 21.601 22.620 16.845 1.00 0.00 H ATOM 1303 N GLN A 126 21.660 25.012 15.498 1.00 23.38 N ATOM 1304 CA GLN A 126 22.195 25.952 14.508 1.00 29.06 C ATOM 1305 C GLN A 126 21.098 26.850 13.904 1.00 27.13 C ATOM 1306 O GLN A 126 20.026 26.378 13.525 1.00 27.14 O ATOM 1307 CB AGLN A 126 22.989 25.197 13.418 0.50 31.28 C ATOM 1308 CB BGLN A 126 23.035 25.188 13.469 0.50 31.69 C ATOM 1309 CG AGLN A 126 22.199 24.233 12.495 0.50 33.72 C ATOM 1310 CG BGLN A 126 23.789 23.971 13.941 0.50 37.39 C ATOM 1311 CD AGLN A 126 22.525 24.354 11.003 0.50 47.22 C ATOM 1312 CD BGLN A 126 25.043 24.263 14.723 0.50 38.76 C ATOM 1313 OE1AGLN A 126 22.738 23.344 10.337 0.50 45.69 O ATOM 1314 OE1BGLN A 126 25.125 25.190 15.519 0.50 38.51 O ATOM 1315 NE2AGLN A 126 22.581 25.576 10.465 0.50 49.55 N ATOM 1316 NE2BGLN A 126 26.059 23.415 14.517 0.50 43.64 N ATOM 1317 H GLN A 126 21.737 24.025 15.296 1.00 0.00 H ATOM 1318 HE22AGLN A 126 22.801 25.675 9.485 0.50 0.00 H ATOM 1319 HE22BGLN A 126 26.933 23.546 15.006 0.50 0.00 H ATOM 1320 HE21AGLN A 126 22.400 26.390 11.032 0.50 0.00 H ATOM 1321 HE21BGLN A 126 25.951 22.645 13.873 0.50 0.00 H ATOM 1322 N GLY A 127 21.379 28.161 13.847 1.00 25.06 N ATOM 1323 CA GLY A 127 20.493 29.193 13.313 1.00 25.33 C ATOM 1324 C GLY A 127 19.320 29.600 14.219 1.00 23.89 C ATOM 1325 O GLY A 127 18.467 30.362 13.767 1.00 25.63 O ATOM 1326 H GLY A 127 22.276 28.468 14.194 1.00 0.00 H ATOM 1327 N CYS A 128 19.252 29.102 15.467 1.00 20.90 N ATOM 1328 CA CYS A 128 18.122 29.323 16.376 1.00 20.37 C ATOM 1329 C CYS A 128 18.290 30.542 17.302 1.00 21.95 C ATOM 1330 O CYS A 128 17.338 30.892 18.002 1.00 24.45 O ATOM 1331 CB CYS A 128 17.939 28.070 17.253 1.00 18.95 C ATOM 1332 SG CYS A 128 17.562 26.536 16.360 1.00 17.57 S ATOM 1333 H CYS A 128 19.979 28.471 15.774 1.00 0.00 H ATOM 1334 N GLY A 129 19.461 31.203 17.294 1.00 27.29 N ATOM 1335 CA GLY A 129 19.742 32.406 18.080 1.00 29.29 C ATOM 1336 C GLY A 129 20.015 32.139 19.567 1.00 28.62 C ATOM 1337 O GLY A 129 19.757 33.010 20.396 1.00 38.50 O ATOM 1338 H GLY A 129 20.192 30.869 16.683 1.00 0.00 H ATOM 1339 N VAL A 130 20.501 30.932 19.893 1.00 24.90 N ATOM 1340 CA VAL A 130 20.800 30.448 21.242 1.00 25.27 C ATOM 1341 C VAL A 130 22.317 30.271 21.438 1.00 33.46 C ATOM 1342 O VAL A 130 22.702 30.029 22.602 1.00 31.44 O ATOM 1343 CB VAL A 130 20.039 29.117 21.484 1.00 25.35 C ATOM 1344 CG1 VAL A 130 18.516 29.329 21.470 1.00 27.59 C ATOM 1345 CG2 VAL A 130 20.444 27.982 20.520 1.00 26.59 C ATOM 1346 OXT VAL A 130 23.068 30.369 20.442 1.00 47.97 O1- ATOM 1347 H VAL A 130 20.713 30.295 19.140 1.00 0.00 H CONECT 68 1332 CONECT 322 1181 CONECT 698 831 CONECT 795 949 CONECT 831 698 CONECT 949 795 CONECT 1181 322 CONECT 1332 68 ENDMDL END If you find results from this site helpful for your research, please cite one of our papers:
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