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*** 1JSF_F57I_T70N ***elNémo ID: 2503181337043307579Job options:ID = 2503181337043307579 JOBID = 1JSF_F57I_T70N 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:HEADER 1JSF_F57I_T70N 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 1.190 19.714 22.058 1.00 17.06 N1+ ATOM 2 CA LYS A 1 1.944 20.616 21.170 1.00 18.25 C ATOM 3 C LYS A 1 3.145 19.883 20.572 1.00 16.14 C ATOM 4 O LYS A 1 3.917 19.276 21.311 1.00 16.16 O ATOM 5 CB LYS A 1 2.394 21.868 21.955 1.00 24.42 C ATOM 6 CG LYS A 1 3.283 22.859 21.182 1.00 26.69 C ATOM 7 CD LYS A 1 3.599 24.114 22.004 1.00 23.93 C ATOM 8 CE LYS A 1 4.495 25.087 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 0.470 20.235 22.549 1.00 0.00 H ATOM 11 H2 LYS A 1 0.775 18.966 21.523 1.00 0.00 H ATOM 12 H3 LYS A 1 1.825 19.325 22.745 1.00 0.00 H ATOM 13 HZ1 LYS A 1 5.371 26.897 21.447 1.00 0.00 H ATOM 14 HZ2 LYS A 1 3.960 26.753 22.295 1.00 0.00 H ATOM 15 HZ3 LYS A 1 5.335 26.016 22.850 1.00 0.00 H ATOM 16 N VAL A 2 3.338 20.015 19.251 1.00 15.22 N ATOM 17 CA VAL A 2 4.589 19.695 18.568 1.00 14.66 C ATOM 18 C VAL A 2 5.298 21.040 18.364 1.00 14.54 C ATOM 19 O VAL A 2 4.791 21.911 17.655 1.00 17.31 O ATOM 20 CB VAL A 2 4.302 19.012 17.202 1.00 18.09 C ATOM 21 CG1 VAL A 2 5.601 18.674 16.440 1.00 20.30 C ATOM 22 CG2 VAL A 2 3.469 17.729 17.373 1.00 21.91 C ATOM 23 H VAL A 2 2.656 20.531 18.714 1.00 0.00 H ATOM 24 N PHE A 3 6.471 21.198 18.993 1.00 13.22 N ATOM 25 CA PHE A 3 7.314 22.380 18.854 1.00 12.29 C ATOM 26 C PHE A 3 8.094 22.309 17.536 1.00 13.94 C ATOM 27 O PHE A 3 8.518 21.235 17.102 1.00 16.04 O ATOM 28 CB PHE A 3 8.366 22.415 19.982 1.00 13.14 C ATOM 29 CG PHE A 3 7.907 22.938 21.326 1.00 12.43 C ATOM 30 CD1 PHE A 3 7.151 22.123 22.192 1.00 14.74 C ATOM 31 CD2 PHE A 3 8.285 24.233 21.736 1.00 14.77 C ATOM 32 CE1 PHE A 3 6.780 22.606 23.461 1.00 16.85 C ATOM 33 CE2 PHE A 3 7.916 24.713 23.006 1.00 16.48 C ATOM 34 CZ PHE A 3 7.163 23.897 23.871 1.00 16.12 C ATOM 35 H PHE A 3 6.825 20.435 19.555 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 9.381 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 24.060 17.812 1.00 14.27 O ATOM 40 CB GLU A 4 9.120 25.055 15.263 1.00 21.19 C ATOM 41 CG GLU A 4 7.794 25.070 14.474 1.00 34.01 C ATOM 42 CD GLU A 4 7.492 26.436 13.861 1.00 39.62 C ATOM 43 OE1 GLU A 4 8.290 26.863 12.999 1.00 49.70 O ATOM 44 OE2 GLU A 4 6.465 27.027 14.261 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 23.055 16.429 1.00 13.70 C ATOM 48 C ARG A 5 13.741 24.247 17.220 1.00 11.54 C ATOM 49 O ARG A 5 14.134 24.094 18.375 1.00 12.11 O ATOM 50 CB ARG A 5 14.075 22.624 15.258 1.00 14.12 C ATOM 51 CG ARG A 5 15.552 22.375 15.627 1.00 16.72 C ATOM 52 CD ARG A 5 16.395 21.918 14.429 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 23.922 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 24.855 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 23.059 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 18.319 25.558 12.513 1.00 0.00 H ATOM 62 HH21 ARG A 5 16.894 24.878 11.769 1.00 0.00 H ATOM 63 N CYS A 6 13.753 25.439 16.608 1.00 12.58 N ATOM 64 CA CYS A 6 14.328 26.640 17.208 1.00 12.42 C ATOM 65 C CYS A 6 13.388 27.349 18.194 1.00 11.86 C ATOM 66 O CYS A 6 13.871 28.122 19.021 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 13.399 25.506 15.664 1.00 0.00 H ATOM 70 N GLU A 7 12.078 27.046 18.164 1.00 12.12 N ATOM 71 CA GLU A 7 11.116 27.458 19.185 1.00 12.07 C ATOM 72 C GLU A 7 11.407 26.732 20.510 1.00 11.12 C ATOM 73 O GLU A 7 11.439 27.381 21.555 1.00 12.80 O ATOM 74 CB GLU A 7 9.683 27.155 18.693 1.00 16.60 C ATOM 75 CG GLU A 7 8.557 27.543 19.680 1.00 18.77 C ATOM 76 CD GLU A 7 7.192 26.934 19.347 1.00 21.58 C ATOM 77 OE1 GLU A 7 7.147 25.921 18.615 1.00 21.23 O ATOM 78 OE2 GLU A 7 6.204 27.482 19.883 1.00 26.51 O1- ATOM 79 H GLU A 7 11.756 26.383 17.473 1.00 0.00 H ATOM 80 N LEU A 8 11.669 25.411 20.456 1.00 11.84 N ATOM 81 CA LEU A 8 12.025 24.585 21.609 1.00 10.90 C ATOM 82 C LEU A 8 13.403 24.959 22.173 1.00 10.67 C ATOM 83 O LEU A 8 13.549 25.001 23.391 1.00 11.45 O ATOM 84 CB LEU A 8 12.011 23.091 21.215 1.00 11.53 C ATOM 85 CG LEU A 8 12.268 22.096 22.374 1.00 11.62 C ATOM 86 CD1 LEU A 8 11.233 22.215 23.503 1.00 14.29 C ATOM 87 CD2 LEU A 8 12.321 20.658 21.851 1.00 16.83 C ATOM 88 H LEU A 8 11.619 24.951 19.556 1.00 0.00 H ATOM 89 N ALA A 9 14.390 25.263 21.311 1.00 10.92 N ATOM 90 CA ALA A 9 15.744 25.657 21.705 1.00 11.36 C ATOM 91 C ALA A 9 15.755 26.944 22.548 1.00 12.02 C ATOM 92 O ALA A 9 16.428 26.990 23.577 1.00 11.55 O ATOM 93 CB ALA A 9 16.613 25.825 20.449 1.00 13.31 C ATOM 94 H ALA A 9 14.197 25.188 20.321 1.00 0.00 H ATOM 95 N ARG A 10 14.959 27.955 22.157 1.00 11.89 N ATOM 96 CA ARG A 10 14.793 29.202 22.905 1.00 12.26 C ATOM 97 C ARG A 10 13.939 29.022 24.172 1.00 11.30 C ATOM 98 O ARG A 10 14.196 29.713 25.155 1.00 13.37 O ATOM 99 CB ARG A 10 14.114 30.259 22.012 1.00 15.41 C ATOM 100 CG ARG A 10 15.021 30.783 20.885 1.00 17.40 C ATOM 101 CD ARG A 10 14.392 31.947 20.109 1.00 21.37 C ATOM 102 NE ARG A 10 13.186 31.523 19.382 1.00 20.21 N ATOM 103 CZ ARG A 10 13.126 31.141 18.095 1.00 19.83 C ATOM 104 NH1 ARG A 10 14.224 31.089 17.327 1.00 20.32 N ATOM 105 NH2 ARG A 10 11.942 30.801 17.570 1.00 23.03 N1+ ATOM 106 H ARG A 10 14.424 27.845 21.306 1.00 0.00 H ATOM 107 HE ARG A 10 12.332 31.515 19.920 1.00 0.00 H ATOM 108 HH12 ARG A 10 14.161 30.831 16.354 1.00 0.00 H ATOM 109 HH11 ARG A 10 15.129 31.313 17.721 1.00 0.00 H ATOM 110 HH22 ARG A 10 11.872 30.517 16.603 1.00 0.00 H ATOM 111 HH21 ARG A 10 11.103 30.839 18.130 1.00 0.00 H ATOM 112 N THR A 11 12.958 28.098 24.178 1.00 11.61 N ATOM 113 CA THR A 11 12.101 27.817 25.337 1.00 11.60 C ATOM 114 C THR A 11 12.906 27.112 26.443 1.00 11.46 C ATOM 115 O THR A 11 12.798 27.504 27.604 1.00 12.79 O ATOM 116 CB THR A 11 10.887 26.948 24.912 1.00 13.51 C ATOM 117 OG1 THR A 11 10.083 27.690 24.016 1.00 15.51 O ATOM 118 CG2 THR A 11 9.952 26.552 26.071 1.00 15.20 C ATOM 119 H THR A 11 12.806 27.552 23.340 1.00 0.00 H ATOM 120 HG1 THR A 11 10.548 27.767 23.194 1.00 0.00 H ATOM 121 N LEU A 12 13.745 26.124 26.085 1.00 10.78 N ATOM 122 CA LEU A 12 14.637 25.412 27.000 1.00 11.18 C ATOM 123 C LEU A 12 15.746 26.327 27.553 1.00 11.18 C ATOM 124 O LEU A 12 16.100 26.187 28.723 1.00 12.56 O ATOM 125 CB LEU A 12 15.282 24.212 26.270 1.00 12.02 C ATOM 126 CG LEU A 12 14.342 23.040 25.909 1.00 12.75 C ATOM 127 CD1 LEU A 12 15.082 22.031 25.016 1.00 17.07 C ATOM 128 CD2 LEU A 12 13.757 22.330 27.137 1.00 16.49 C ATOM 129 H LEU A 12 13.778 25.853 25.110 1.00 0.00 H ATOM 130 N LYS A 13 16.254 27.286 26.754 1.00 11.39 N ATOM 131 CA LYS A 13 17.251 28.269 27.189 1.00 11.97 C ATOM 132 C LYS A 13 16.676 29.283 28.199 1.00 12.47 C ATOM 133 O LYS A 13 17.368 29.608 29.163 1.00 13.70 O ATOM 134 CB LYS A 13 17.852 28.995 25.964 1.00 16.60 C ATOM 135 CG LYS A 13 18.973 29.989 26.342 1.00 22.62 C ATOM 136 CD LYS A 13 20.163 30.001 25.375 1.00 30.87 C ATOM 137 CE LYS A 13 21.271 30.958 25.846 1.00 37.86 C ATOM 138 NZ LYS A 13 22.584 30.579 25.301 1.00 58.06 N1+ ATOM 139 H LYS A 13 15.927 27.343 25.799 1.00 0.00 H ATOM 140 HZ1 LYS A 13 22.546 30.509 24.287 1.00 0.00 H ATOM 141 HZ2 LYS A 13 23.281 31.260 25.564 1.00 0.00 H ATOM 142 HZ3 LYS A 13 22.851 29.672 25.671 1.00 0.00 H ATOM 143 N ARG A 14 15.415 29.729 28.031 1.00 12.34 N ATOM 144 CA ARG A 14 14.721 30.596 28.994 1.00 12.96 C ATOM 145 C ARG A 14 14.398 29.872 30.311 1.00 11.94 C ATOM 146 O ARG A 14 14.404 30.507 31.364 1.00 14.46 O ATOM 147 CB ARG A 14 13.390 31.110 28.409 1.00 15.74 C ATOM 148 CG ARG A 14 13.547 32.232 27.372 1.00 21.21 C ATOM 149 CD ARG A 14 12.220 32.943 27.060 1.00 28.16 C ATOM 150 NE ARG A 14 11.170 31.995 26.656 1.00 30.61 N ATOM 151 CZ ARG A 14 10.861 31.633 25.400 1.00 30.91 C ATOM 152 NH1 ARG A 14 11.526 32.126 24.346 1.00 32.12 N ATOM 153 NH2 ARG A 14 9.871 30.755 25.200 1.00 31.46 N1+ ATOM 154 H ARG A 14 14.899 29.426 27.216 1.00 0.00 H ATOM 155 HE ARG A 14 10.654 31.572 27.415 1.00 0.00 H ATOM 156 HH12 ARG A 14 11.276 31.852 23.407 1.00 0.00 H ATOM 157 HH11 ARG A 14 12.280 32.781 24.491 1.00 0.00 H ATOM 158 HH22 ARG A 14 9.636 30.443 24.269 1.00 0.00 H ATOM 159 HH21 ARG A 14 9.360 30.373 25.984 1.00 0.00 H ATOM 160 N LEU A 15 14.149 28.553 30.256 1.00 11.41 N ATOM 161 CA LEU A 15 13.910 27.703 31.422 1.00 11.71 C ATOM 162 C LEU A 15 15.227 27.165 32.029 1.00 12.33 C ATOM 163 O LEU A 15 15.174 26.345 32.943 1.00 15.00 O ATOM 164 CB LEU A 15 12.989 26.531 31.011 1.00 13.70 C ATOM 165 CG LEU A 15 11.555 26.943 30.601 1.00 15.21 C ATOM 166 CD1 LEU A 15 10.824 25.780 29.914 1.00 16.24 C ATOM 167 CD2 LEU A 15 10.728 27.448 31.796 1.00 20.49 C ATOM 168 H LEU A 15 14.146 28.105 29.350 1.00 0.00 H ATOM 169 N GLY A 16 16.397 27.661 31.586 1.00 12.66 N ATOM 170 CA GLY A 16 17.693 27.495 32.243 1.00 13.48 C ATOM 171 C GLY A 16 18.380 26.141 32.034 1.00 12.84 C ATOM 172 O GLY A 16 19.132 25.716 32.910 1.00 15.76 O ATOM 173 H GLY A 16 16.363 28.323 30.822 1.00 0.00 H ATOM 174 N MET A 17 18.111 25.454 30.912 1.00 11.57 N ATOM 175 CA MET A 17 18.643 24.120 30.622 1.00 11.60 C ATOM 176 C MET A 17 20.041 24.141 29.983 1.00 11.86 C ATOM 177 O MET A 17 20.746 23.139 30.092 1.00 14.20 O ATOM 178 CB MET A 17 17.686 23.402 29.649 1.00 13.14 C ATOM 179 CG MET A 17 16.395 22.954 30.342 1.00 14.11 C ATOM 180 SD MET A 17 16.648 21.542 31.456 1.00 18.03 S ATOM 181 CE MET A 17 15.849 20.234 30.495 1.00 24.42 C ATOM 182 H MET A 17 17.467 25.855 30.243 1.00 0.00 H ATOM 183 N ASP A 18 20.462 25.249 29.345 1.00 12.93 N ATOM 184 CA ASP A 18 21.769 25.363 28.693 1.00 14.41 C ATOM 185 C ASP A 18 22.891 25.402 29.749 1.00 14.70 C ATOM 186 O ASP A 18 22.996 26.355 30.521 1.00 17.65 O ATOM 187 CB ASP A 18 21.792 26.626 27.795 1.00 16.44 C ATOM 188 CG ASP A 18 23.039 26.754 26.904 1.00 19.56 C ATOM 189 OD1 ASP A 18 23.643 25.704 26.585 1.00 20.72 O ATOM 190 OD2 ASP A 18 23.341 27.908 26.525 1.00 29.13 O1- ATOM 191 H ASP A 18 19.851 26.052 29.314 1.00 0.00 H ATOM 192 N GLY A 19 23.697 24.332 29.786 1.00 12.95 N ATOM 193 CA GLY A 19 24.774 24.118 30.745 1.00 15.05 C ATOM 194 C GLY A 19 24.326 23.553 32.102 1.00 12.69 C ATOM 195 O GLY A 19 25.161 23.474 33.002 1.00 15.26 O ATOM 196 H GLY A 19 23.517 23.580 29.135 1.00 0.00 H ATOM 197 N TYR A 20 23.045 23.157 32.268 1.00 13.11 N ATOM 198 CA TYR A 20 22.515 22.598 33.516 1.00 11.95 C ATOM 199 C TYR A 20 23.118 21.207 33.752 1.00 11.72 C ATOM 200 O TYR A 20 22.905 20.301 32.947 1.00 12.45 O ATOM 201 CB TYR A 20 20.974 22.489 33.462 1.00 12.49 C ATOM 202 CG TYR A 20 20.371 22.108 34.807 1.00 12.45 C ATOM 203 CD1 TYR A 20 20.058 23.119 35.738 1.00 15.37 C ATOM 204 CD2 TYR A 20 20.201 20.752 35.166 1.00 12.41 C ATOM 205 CE1 TYR A 20 19.610 22.779 37.028 1.00 16.89 C ATOM 206 CE2 TYR A 20 19.762 20.412 36.461 1.00 13.65 C ATOM 207 CZ TYR A 20 19.474 21.426 37.395 1.00 15.67 C ATOM 208 OH TYR A 20 19.071 21.103 38.657 1.00 20.08 O ATOM 209 H TYR A 20 22.413 23.233 31.482 1.00 0.00 H ATOM 210 HH TYR A 20 18.997 21.864 39.214 1.00 0.00 H ATOM 211 N ARG A 21 23.899 21.069 34.839 1.00 13.06 N ATOM 212 CA ARG A 21 24.642 19.861 35.222 1.00 14.28 C ATOM 213 C ARG A 21 25.746 19.504 34.200 1.00 13.33 C ATOM 214 O ARG A 21 26.128 18.342 34.071 1.00 14.35 O ATOM 215 CB ARG A 21 23.681 18.692 35.573 1.00 16.78 C ATOM 216 CG ARG A 21 23.015 18.848 36.957 1.00 25.30 C ATOM 217 CD ARG A 21 23.883 18.300 38.101 1.00 33.61 C ATOM 218 NE ARG A 21 23.989 16.839 37.994 1.00 56.79 N ATOM 219 CZ ARG A 21 24.917 16.032 38.528 1.00 61.31 C ATOM 220 NH1 ARG A 21 25.902 16.511 39.299 1.00 60.56 N ATOM 221 NH2 ARG A 21 24.846 14.718 38.280 1.00 45.90 N1+ ATOM 222 H ARG A 21 24.023 21.879 35.429 1.00 0.00 H ATOM 223 HE ARG A 21 23.255 16.389 37.458 1.00 0.00 H ATOM 224 HH12 ARG A 21 26.593 15.891 39.695 1.00 0.00 H ATOM 225 HH11 ARG A 21 25.957 17.501 39.488 1.00 0.00 H ATOM 226 HH22 ARG A 21 25.529 14.083 38.665 1.00 0.00 H ATOM 227 HH21 ARG A 21 24.084 14.346 37.727 1.00 0.00 H ATOM 228 N GLY A 22 26.244 20.515 33.465 1.00 12.43 N ATOM 229 CA GLY A 22 27.243 20.401 32.407 1.00 12.76 C ATOM 230 C GLY A 22 26.685 19.990 31.036 1.00 11.21 C ATOM 231 O GLY A 22 27.471 19.807 30.108 1.00 12.81 O ATOM 232 H GLY A 22 25.870 21.440 33.628 1.00 0.00 H ATOM 233 N ILE A 23 25.356 19.830 30.898 1.00 11.07 N ATOM 234 CA ILE A 23 24.695 19.371 29.675 1.00 11.77 C ATOM 235 C ILE A 23 24.321 20.616 28.857 1.00 10.74 C ATOM 236 O ILE A 23 23.503 21.427 29.293 1.00 12.48 O ATOM 237 CB ILE A 23 23.406 18.576 30.041 1.00 10.86 C ATOM 238 CG1 ILE A 23 23.696 17.381 30.982 1.00 12.80 C ATOM 239 CG2 ILE A 23 22.668 18.070 28.781 1.00 13.41 C ATOM 240 CD1 ILE A 23 22.460 16.901 31.750 1.00 14.46 C ATOM 241 H ILE A 23 24.766 20.004 31.699 1.00 0.00 H ATOM 242 N SER A 24 24.904 20.734 27.654 1.00 11.50 N ATOM 243 CA SER A 24 24.614 21.784 26.679 1.00 11.97 C ATOM 244 C SER A 24 23.194 21.647 26.104 1.00 11.84 C ATOM 245 O SER A 24 22.623 20.554 26.076 1.00 11.40 O ATOM 246 CB SER A 24 25.672 21.721 25.553 1.00 12.92 C ATOM 247 OG SER A 24 25.511 20.610 24.689 1.00 13.62 O ATOM 248 H SER A 24 25.562 20.022 27.373 1.00 0.00 H ATOM 249 HG SER A 24 26.165 20.667 24.007 1.00 0.00 H ATOM 250 N LEU A 25 22.646 22.767 25.612 1.00 12.17 N ATOM 251 CA LEU A 25 21.344 22.864 24.952 1.00 12.23 C ATOM 252 C LEU A 25 21.203 21.942 23.724 1.00 12.01 C ATOM 253 O LEU A 25 20.113 21.438 23.468 1.00 12.74 O ATOM 254 CB LEU A 25 21.119 24.343 24.591 1.00 14.96 C ATOM 255 CG LEU A 25 19.774 24.696 23.931 1.00 13.26 C ATOM 256 CD1 LEU A 25 18.573 24.392 24.836 1.00 18.00 C ATOM 257 CD2 LEU A 25 19.782 26.171 23.522 1.00 15.14 C ATOM 258 H LEU A 25 23.169 23.630 25.706 1.00 0.00 H ATOM 259 N ALA A 26 22.309 21.680 23.008 1.00 11.62 N ATOM 260 CA ALA A 26 22.393 20.793 21.850 1.00 12.16 C ATOM 261 C ALA A 26 22.153 19.311 22.194 1.00 12.03 C ATOM 262 O ALA A 26 21.562 18.596 21.385 1.00 12.52 O ATOM 263 CB ALA A 26 23.792 20.958 21.242 1.00 14.36 C ATOM 264 H ALA A 26 23.168 22.120 23.307 1.00 0.00 H ATOM 265 N ASN A 27 22.562 18.866 23.396 1.00 11.30 N ATOM 266 CA ASN A 27 22.322 17.515 23.914 1.00 11.72 C ATOM 267 C ASN A 27 20.898 17.337 24.466 1.00 11.31 C ATOM 268 O ASN A 27 20.354 16.238 24.352 1.00 12.02 O ATOM 269 CB ASN A 27 23.331 17.197 25.042 1.00 11.67 C ATOM 270 CG ASN A 27 24.690 16.761 24.494 1.00 12.91 C ATOM 271 OD1 ASN A 27 24.800 15.685 23.911 1.00 15.81 O ATOM 272 ND2 ASN A 27 25.723 17.586 24.663 1.00 15.94 N ATOM 273 H ASN A 27 23.022 19.522 24.013 1.00 0.00 H ATOM 274 HD22 ASN A 27 26.632 17.324 24.309 1.00 0.00 H ATOM 275 HD21 ASN A 27 25.589 18.486 25.106 1.00 0.00 H ATOM 276 N TRP A 28 20.275 18.402 25.003 1.00 10.26 N ATOM 277 CA TRP A 28 18.867 18.411 25.419 1.00 10.77 C ATOM 278 C TRP A 28 17.915 18.407 24.214 1.00 11.26 C ATOM 279 O TRP A 28 16.859 17.779 24.270 1.00 11.17 O ATOM 280 CB TRP A 28 18.573 19.680 26.244 1.00 10.49 C ATOM 281 CG TRP A 28 19.094 19.689 27.645 1.00 10.02 C ATOM 282 CD1 TRP A 28 19.983 20.572 28.150 1.00 12.17 C ATOM 283 CD2 TRP A 28 18.729 18.811 28.753 1.00 10.69 C ATOM 284 NE1 TRP A 28 20.183 20.311 29.488 1.00 12.53 N ATOM 285 CE2 TRP A 28 19.417 19.252 29.923 1.00 11.35 C ATOM 286 CE3 TRP A 28 17.868 17.697 28.896 1.00 12.47 C ATOM 287 CZ2 TRP A 28 19.238 18.643 31.176 1.00 13.34 C ATOM 288 CZ3 TRP A 28 17.689 17.067 30.144 1.00 14.07 C ATOM 289 CH2 TRP A 28 18.359 17.550 31.284 1.00 14.86 C ATOM 290 H TRP A 28 20.787 19.270 25.078 1.00 0.00 H ATOM 291 HE1 TRP A 28 20.796 20.880 30.058 1.00 0.00 H ATOM 292 N MET A 29 18.307 19.083 23.122 1.00 10.67 N ATOM 293 CA MET A 29 17.570 19.144 21.867 1.00 10.61 C ATOM 294 C MET A 29 17.692 17.835 21.072 1.00 11.13 C ATOM 295 O MET A 29 16.725 17.443 20.423 1.00 11.94 O ATOM 296 CB MET A 29 18.135 20.299 21.016 1.00 11.54 C ATOM 297 CG MET A 29 17.592 21.684 21.401 1.00 12.10 C ATOM 298 SD MET A 29 15.805 21.913 21.200 1.00 14.40 S ATOM 299 CE MET A 29 15.604 21.603 19.429 1.00 17.16 C ATOM 300 H MET A 29 19.175 19.600 23.172 1.00 0.00 H ATOM 301 N CYS A 30 18.839 17.135 21.157 1.00 11.31 N ATOM 302 CA CYS A 30 19.034 15.807 20.575 1.00 11.47 C ATOM 303 C CYS A 30 18.184 14.757 21.316 1.00 12.45 C ATOM 304 O CYS A 30 17.535 13.942 20.663 1.00 12.88 O ATOM 305 CB CYS A 30 20.529 15.433 20.623 1.00 12.22 C ATOM 306 SG CYS A 30 20.940 13.898 19.746 1.00 13.65 S ATOM 307 H CYS A 30 19.602 17.527 21.691 1.00 0.00 H ATOM 308 N LEU A 31 18.138 14.818 22.661 1.00 11.57 N ATOM 309 CA LEU A 31 17.294 13.981 23.517 1.00 12.27 C ATOM 310 C LEU A 31 15.803 14.124 23.164 1.00 11.08 C ATOM 311 O LEU A 31 15.148 13.120 22.901 1.00 12.30 O ATOM 312 CB LEU A 31 17.574 14.314 25.003 1.00 13.03 C ATOM 313 CG LEU A 31 16.681 13.597 26.044 1.00 12.69 C ATOM 314 CD1 LEU A 31 16.890 12.078 26.050 1.00 15.53 C ATOM 315 CD2 LEU A 31 16.913 14.174 27.446 1.00 16.22 C ATOM 316 H LEU A 31 18.704 15.516 23.124 1.00 0.00 H ATOM 317 N ALA A 32 15.287 15.364 23.114 1.00 11.51 N ATOM 318 CA ALA A 32 13.887 15.678 22.824 1.00 11.12 C ATOM 319 C ALA A 32 13.440 15.282 21.406 1.00 11.09 C ATOM 320 O ALA A 32 12.274 14.932 21.216 1.00 13.12 O ATOM 321 CB ALA A 32 13.673 17.186 23.020 1.00 12.81 C ATOM 322 H ALA A 32 15.896 16.141 23.336 1.00 0.00 H ATOM 323 N LYS A 33 14.364 15.302 20.427 1.00 10.96 N ATOM 324 CA LYS A 33 14.107 14.938 19.035 1.00 12.88 C ATOM 325 C LYS A 33 13.903 13.425 18.878 1.00 12.92 C ATOM 326 O LYS A 33 12.997 13.012 18.157 1.00 14.54 O ATOM 327 CB LYS A 33 15.300 15.385 18.153 1.00 14.78 C ATOM 328 CG LYS A 33 14.999 15.351 16.641 1.00 24.35 C ATOM 329 CD LYS A 33 15.451 14.065 15.923 1.00 31.88 C ATOM 330 CE LYS A 33 14.633 13.764 14.659 1.00 43.51 C ATOM 331 NZ LYS A 33 14.752 14.840 13.660 1.00 44.62 N1+ ATOM 332 H LYS A 33 15.303 15.594 20.664 1.00 0.00 H ATOM 333 HZ1 LYS A 33 14.416 15.706 14.057 1.00 0.00 H ATOM 334 HZ2 LYS A 33 15.720 14.946 13.393 1.00 0.00 H ATOM 335 HZ3 LYS A 33 14.202 14.607 12.846 1.00 0.00 H ATOM 336 N TRP A 34 14.745 12.608 19.527 1.00 12.70 N ATOM 337 CA TRP A 34 14.750 11.156 19.356 1.00 13.46 C ATOM 338 C TRP A 34 13.864 10.414 20.361 1.00 13.18 C ATOM 339 O TRP A 34 13.555 9.247 20.121 1.00 18.23 O ATOM 340 CB TRP A 34 16.203 10.658 19.451 1.00 14.44 C ATOM 341 CG TRP A 34 17.003 11.035 18.241 1.00 13.70 C ATOM 342 CD1 TRP A 34 18.057 11.880 18.213 1.00 14.63 C ATOM 343 CD2 TRP A 34 16.780 10.631 16.855 1.00 16.12 C ATOM 344 NE1 TRP A 34 18.480 12.049 16.913 1.00 17.71 N ATOM 345 CE2 TRP A 34 17.726 11.308 16.029 1.00 16.71 C ATOM 346 CE3 TRP A 34 15.861 9.772 16.207 1.00 17.51 C ATOM 347 CZ2 TRP A 34 17.751 11.155 14.633 1.00 23.07 C ATOM 348 CZ3 TRP A 34 15.876 9.608 14.807 1.00 23.60 C ATOM 349 CH2 TRP A 34 16.817 10.300 14.020 1.00 24.86 C ATOM 350 H TRP A 34 15.467 13.015 20.107 1.00 0.00 H ATOM 351 HE1 TRP A 34 19.230 12.682 16.662 1.00 0.00 H ATOM 352 N GLU A 35 13.406 11.079 21.433 1.00 12.38 N ATOM 353 CA GLU A 35 12.440 10.521 22.374 1.00 13.11 C ATOM 354 C GLU A 35 11.000 10.759 21.884 1.00 13.40 C ATOM 355 O GLU A 35 10.178 9.853 22.011 1.00 14.31 O ATOM 356 CB GLU A 35 12.616 11.210 23.749 1.00 13.51 C ATOM 357 CG GLU A 35 13.858 10.739 24.540 1.00 13.78 C ATOM 358 CD GLU A 35 13.832 9.289 25.041 1.00 15.30 C ATOM 359 OE1 GLU A 35 12.838 8.575 24.784 1.00 17.48 O ATOM 360 OE2 GLU A 35 14.838 8.905 25.673 1.00 19.70 O1- ATOM 361 H GLU A 35 13.729 12.023 21.596 1.00 0.00 H ATOM 362 N SER A 36 10.686 11.939 21.318 1.00 13.52 N ATOM 363 CA SER A 36 9.307 12.360 21.043 1.00 13.25 C ATOM 364 C SER A 36 9.066 13.004 19.671 1.00 13.07 C ATOM 365 O SER A 36 7.908 13.135 19.275 1.00 15.89 O ATOM 366 CB SER A 36 8.818 13.250 22.198 1.00 13.02 C ATOM 367 OG SER A 36 9.370 14.548 22.090 1.00 13.33 O ATOM 368 H SER A 36 11.416 12.630 21.218 1.00 0.00 H ATOM 369 HG SER A 36 10.293 14.502 22.297 1.00 0.00 H ATOM 370 N GLY A 37 10.118 13.466 18.976 1.00 14.49 N ATOM 371 CA GLY A 37 9.991 14.308 17.785 1.00 14.62 C ATOM 372 C GLY A 37 9.541 15.744 18.098 1.00 12.70 C ATOM 373 O GLY A 37 8.971 16.399 17.227 1.00 16.12 O ATOM 374 H GLY A 37 11.050 13.302 19.330 1.00 0.00 H ATOM 375 N TYR A 38 9.752 16.202 19.347 1.00 12.50 N ATOM 376 CA TYR A 38 9.402 17.515 19.900 1.00 12.41 C ATOM 377 C TYR A 38 7.932 17.615 20.364 1.00 12.36 C ATOM 378 O TYR A 38 7.428 18.721 20.559 1.00 15.84 O ATOM 379 CB TYR A 38 9.855 18.699 19.009 1.00 13.48 C ATOM 380 CG TYR A 38 11.297 18.704 18.527 1.00 12.71 C ATOM 381 CD1 TYR A 38 12.357 18.408 19.408 1.00 13.92 C ATOM 382 CD2 TYR A 38 11.583 19.048 17.188 1.00 15.27 C ATOM 383 CE1 TYR A 38 13.688 18.475 18.961 1.00 14.18 C ATOM 384 CE2 TYR A 38 12.916 19.097 16.736 1.00 16.12 C ATOM 385 CZ TYR A 38 13.971 18.813 17.624 1.00 14.45 C ATOM 386 OH TYR A 38 15.264 18.867 17.189 1.00 16.66 O ATOM 387 H TYR A 38 10.206 15.566 19.988 1.00 0.00 H ATOM 388 HH TYR A 38 15.884 18.634 17.864 1.00 0.00 H ATOM 389 N ASN A 39 7.247 16.470 20.524 1.00 13.71 N ATOM 390 CA ASN A 39 5.826 16.357 20.845 1.00 13.00 C ATOM 391 C ASN A 39 5.651 16.169 22.362 1.00 12.31 C ATOM 392 O ASN A 39 6.096 15.171 22.926 1.00 13.82 O ATOM 393 CB ASN A 39 5.293 15.110 20.097 1.00 14.34 C ATOM 394 CG ASN A 39 3.774 14.905 20.174 1.00 15.85 C ATOM 395 OD1 ASN A 39 3.019 15.816 20.511 1.00 15.88 O ATOM 396 ND2 ASN A 39 3.322 13.684 19.885 1.00 20.01 N ATOM 397 H ASN A 39 7.747 15.604 20.376 1.00 0.00 H ATOM 398 HD22 ASN A 39 2.332 13.494 19.926 1.00 0.00 H ATOM 399 HD21 ASN A 39 3.969 12.956 19.617 1.00 0.00 H ATOM 400 N THR A 40 4.933 17.106 23.003 1.00 11.81 N ATOM 401 CA THR A 40 4.571 17.054 24.422 1.00 12.68 C ATOM 402 C THR A 40 3.451 16.041 24.718 1.00 12.56 C ATOM 403 O THR A 40 3.298 15.648 25.869 1.00 15.38 O ATOM 404 CB THR A 40 4.117 18.454 24.911 1.00 13.66 C ATOM 405 OG1 THR A 40 2.871 18.863 24.372 1.00 14.74 O ATOM 406 CG2 THR A 40 5.144 19.567 24.688 1.00 15.36 C ATOM 407 H THR A 40 4.588 17.895 22.471 1.00 0.00 H ATOM 408 HG1 THR A 40 2.507 19.516 24.954 1.00 0.00 H ATOM 409 N ARG A 41 2.675 15.616 23.708 1.00 13.38 N ATOM 410 CA ARG A 41 1.548 14.697 23.868 1.00 16.46 C ATOM 411 C ARG A 41 1.991 13.221 23.724 1.00 15.27 C ATOM 412 O ARG A 41 1.163 12.324 23.877 1.00 19.49 O ATOM 413 CB ARG A 41 0.519 15.025 22.762 1.00 17.28 C ATOM 414 CG ARG A 41 -0.914 14.595 23.125 1.00 34.08 C ATOM 415 CD ARG A 41 -1.875 14.551 21.927 1.00 39.13 C ATOM 416 NE ARG A 41 -2.551 13.248 21.871 1.00 41.14 N ATOM 417 CZ ARG A 41 -3.643 12.893 22.569 1.00 39.71 C ATOM 418 NH1 ARG A 41 -4.292 13.768 23.351 1.00 40.71 N ATOM 419 NH2 ARG A 41 -4.084 11.632 22.492 1.00 42.79 N1+ ATOM 420 H ARG A 41 2.862 15.966 22.779 1.00 0.00 H ATOM 421 HE ARG A 41 -2.091 12.543 21.313 1.00 0.00 H ATOM 422 HH12 ARG A 41 -5.107 13.486 23.875 1.00 0.00 H ATOM 423 HH11 ARG A 41 -3.964 14.721 23.420 1.00 0.00 H ATOM 424 HH22 ARG A 41 -4.899 11.341 23.013 1.00 0.00 H ATOM 425 HH21 ARG A 41 -3.604 10.956 21.916 1.00 0.00 H ATOM 426 N ALA A 42 3.279 12.960 23.435 1.00 15.38 N ATOM 427 CA ALA A 42 3.850 11.633 23.213 1.00 15.24 C ATOM 428 C ALA A 42 3.746 10.741 24.460 1.00 14.57 C ATOM 429 O ALA A 42 4.076 11.168 25.567 1.00 14.15 O ATOM 430 CB ALA A 42 5.322 11.792 22.804 1.00 19.09 C ATOM 431 H ALA A 42 3.909 13.745 23.352 1.00 0.00 H ATOM 432 N THR A 43 3.295 9.496 24.251 1.00 16.63 N ATOM 433 CA THR A 43 3.190 8.436 25.249 1.00 16.63 C ATOM 434 C THR A 43 3.663 7.110 24.647 1.00 17.66 C ATOM 435 O THR A 43 3.372 6.813 23.488 1.00 23.52 O ATOM 436 CB THR A 43 1.783 8.357 25.896 1.00 21.44 C ATOM 437 OG1 THR A 43 0.790 8.042 24.937 1.00 28.38 O ATOM 438 CG2 THR A 43 1.366 9.606 26.682 1.00 24.72 C ATOM 439 H THR A 43 3.040 9.237 23.309 1.00 0.00 H ATOM 440 HG1 THR A 43 1.028 7.231 24.512 1.00 0.00 H ATOM 441 N ASN A 44 4.361 6.307 25.461 1.00 17.38 N ATOM 442 CA ASN A 44 4.848 4.975 25.125 1.00 17.36 C ATOM 443 C ASN A 44 4.629 4.081 26.345 1.00 16.77 C ATOM 444 O ASN A 44 5.305 4.258 27.357 1.00 16.39 O ATOM 445 CB ASN A 44 6.320 5.067 24.663 1.00 21.27 C ATOM 446 CG ASN A 44 6.935 3.708 24.317 1.00 33.34 C ATOM 447 OD1 ASN A 44 6.486 3.038 23.391 1.00 40.32 O ATOM 448 ND2 ASN A 44 7.936 3.281 25.092 1.00 43.32 N ATOM 449 H ASN A 44 4.572 6.642 26.392 1.00 0.00 H ATOM 450 HD22 ASN A 44 8.352 2.377 24.925 1.00 0.00 H ATOM 451 HD21 ASN A 44 8.261 3.847 25.869 1.00 0.00 H ATOM 452 N TYR A 45 3.715 3.105 26.230 1.00 20.06 N ATOM 453 CA TYR A 45 3.500 2.072 27.236 1.00 19.26 C ATOM 454 C TYR A 45 4.512 0.943 27.001 1.00 18.33 C ATOM 455 O TYR A 45 4.606 0.393 25.903 1.00 21.79 O ATOM 456 CB TYR A 45 2.074 1.499 27.091 1.00 21.83 C ATOM 457 CG TYR A 45 1.730 0.404 28.094 1.00 20.44 C ATOM 458 CD1 TYR A 45 1.808 0.667 29.476 1.00 22.19 C ATOM 459 CD2 TYR A 45 1.356 -0.883 27.655 1.00 22.96 C ATOM 460 CE1 TYR A 45 1.514 -0.336 30.416 1.00 21.20 C ATOM 461 CE2 TYR A 45 1.056 -1.889 28.594 1.00 22.77 C ATOM 462 CZ TYR A 45 1.135 -1.617 29.974 1.00 22.00 C ATOM 463 OH TYR A 45 0.845 -2.591 30.881 1.00 25.95 O ATOM 464 H TYR A 45 3.213 3.015 25.359 1.00 0.00 H ATOM 465 HH TYR A 45 0.881 -2.283 31.774 1.00 0.00 H ATOM 466 N ASN A 46 5.246 0.601 28.065 1.00 17.53 N ATOM 467 CA ASN A 46 6.197 -0.501 28.125 1.00 18.07 C ATOM 468 C ASN A 46 5.452 -1.665 28.787 1.00 16.83 C ATOM 469 O ASN A 46 5.264 -1.683 30.003 1.00 18.09 O ATOM 470 CB ASN A 46 7.400 -0.074 28.998 1.00 19.02 C ATOM 471 CG ASN A 46 8.135 1.143 28.427 1.00 21.80 C ATOM 472 OD1 ASN A 46 8.720 1.064 27.349 1.00 27.14 O ATOM 473 ND2 ASN A 46 8.070 2.280 29.122 1.00 24.42 N ATOM 474 H ASN A 46 5.089 1.101 28.932 1.00 0.00 H ATOM 475 HD22 ASN A 46 8.506 3.117 28.747 1.00 0.00 H ATOM 476 HD21 ASN A 46 7.587 2.307 30.009 1.00 0.00 H ATOM 477 N ALA A 47 4.999 -2.627 27.968 1.00 19.59 N ATOM 478 CA ALA A 47 4.175 -3.763 28.387 1.00 23.80 C ATOM 479 C ALA A 47 4.937 -4.805 29.225 1.00 22.64 C ATOM 480 O ALA A 47 4.305 -5.556 29.968 1.00 24.61 O ATOM 481 CB ALA A 47 3.625 -4.446 27.125 1.00 27.76 C ATOM 482 H ALA A 47 5.176 -2.528 26.979 1.00 0.00 H ATOM 483 N GLY A 48 6.277 -4.834 29.130 1.00 19.99 N ATOM 484 CA GLY A 48 7.144 -5.777 29.831 1.00 22.07 C ATOM 485 C GLY A 48 7.297 -5.509 31.333 1.00 19.81 C ATOM 486 O GLY A 48 7.529 -6.457 32.082 1.00 24.08 O ATOM 487 H GLY A 48 6.721 -4.173 28.509 1.00 0.00 H ATOM 488 N ASP A 49 7.139 -4.250 31.776 1.00 18.77 N ATOM 489 CA ASP A 49 7.301 -3.828 33.172 1.00 20.35 C ATOM 490 C ASP A 49 6.097 -3.017 33.685 1.00 17.80 C ATOM 491 O ASP A 49 6.014 -2.769 34.885 1.00 21.18 O ATOM 492 CB ASP A 49 8.683 -3.146 33.367 1.00 20.26 C ATOM 493 CG ASP A 49 8.854 -1.727 32.801 1.00 24.33 C ATOM 494 OD1 ASP A 49 7.995 -1.288 32.006 1.00 19.65 O ATOM 495 OD2 ASP A 49 9.833 -1.074 33.223 1.00 32.10 O1- ATOM 496 H ASP A 49 6.961 -3.523 31.097 1.00 0.00 H ATOM 497 N ARG A 50 5.171 -2.611 32.799 1.00 19.86 N ATOM 498 CA ARG A 50 3.911 -1.914 33.080 1.00 19.68 C ATOM 499 C ARG A 50 4.076 -0.406 33.345 1.00 18.06 C ATOM 500 O ARG A 50 3.132 0.232 33.811 1.00 22.50 O ATOM 501 CB ARG A 50 3.014 -2.653 34.105 1.00 26.39 C ATOM 502 CG ARG A 50 2.652 -4.084 33.671 1.00 33.44 C ATOM 503 CD ARG A 50 1.829 -4.838 34.726 1.00 35.73 C ATOM 504 NE ARG A 50 2.632 -5.890 35.365 1.00 39.51 N ATOM 505 CZ ARG A 50 2.171 -7.036 35.895 1.00 35.58 C ATOM 506 NH1 ARG A 50 0.863 -7.331 35.903 1.00 54.84 N ATOM 507 NH2 ARG A 50 3.041 -7.903 36.429 1.00 33.65 N1+ ATOM 508 H ARG A 50 5.346 -2.817 31.825 1.00 0.00 H ATOM 509 HE ARG A 50 3.624 -5.704 35.420 1.00 0.00 H ATOM 510 HH12 ARG A 50 0.531 -8.196 36.304 1.00 0.00 H ATOM 511 HH11 ARG A 50 0.199 -6.684 35.504 1.00 0.00 H ATOM 512 HH22 ARG A 50 2.718 -8.770 36.832 1.00 0.00 H ATOM 513 HH21 ARG A 50 4.031 -7.702 36.425 1.00 0.00 H ATOM 514 N SER A 51 5.252 0.167 33.034 1.00 16.75 N ATOM 515 CA SER A 51 5.519 1.603 33.097 1.00 15.62 C ATOM 516 C SER A 51 5.088 2.292 31.789 1.00 15.04 C ATOM 517 O SER A 51 4.919 1.642 30.757 1.00 16.06 O ATOM 518 CB SER A 51 7.025 1.833 33.356 1.00 14.40 C ATOM 519 OG SER A 51 7.854 1.522 32.253 1.00 15.71 O ATOM 520 H SER A 51 5.974 -0.418 32.633 1.00 0.00 H ATOM 521 HG SER A 51 7.886 0.576 32.147 1.00 0.00 H ATOM 522 N THR A 52 4.927 3.621 31.844 1.00 13.80 N ATOM 523 CA THR A 52 4.620 4.484 30.708 1.00 11.94 C ATOM 524 C THR A 52 5.623 5.646 30.709 1.00 12.46 C ATOM 525 O THR A 52 5.882 6.254 31.745 1.00 13.36 O ATOM 526 CB THR A 52 3.149 4.965 30.777 1.00 13.80 C ATOM 527 OG1 THR A 52 2.267 3.865 30.783 1.00 15.81 O ATOM 528 CG2 THR A 52 2.732 5.852 29.588 1.00 13.89 C ATOM 529 H THR A 52 5.069 4.090 32.731 1.00 0.00 H ATOM 530 HG1 THR A 52 2.474 3.332 31.536 1.00 0.00 H ATOM 531 N ASP A 53 6.165 5.971 29.532 1.00 12.43 N ATOM 532 CA ASP A 53 7.010 7.139 29.294 1.00 12.59 C ATOM 533 C ASP A 53 6.114 8.280 28.798 1.00 12.09 C ATOM 534 O ASP A 53 5.280 8.064 27.920 1.00 13.31 O ATOM 535 CB ASP A 53 8.032 6.807 28.193 1.00 14.50 C ATOM 536 CG ASP A 53 8.912 5.597 28.509 1.00 17.20 C ATOM 537 OD1 ASP A 53 9.485 5.580 29.620 1.00 20.85 O ATOM 538 OD2 ASP A 53 8.978 4.696 27.645 1.00 22.38 O1- ATOM 539 H ASP A 53 5.918 5.415 28.722 1.00 0.00 H ATOM 540 N TYR A 54 6.271 9.474 29.387 1.00 12.07 N ATOM 541 CA TYR A 54 5.399 10.631 29.185 1.00 11.10 C ATOM 542 C TYR A 54 6.178 11.857 28.709 1.00 11.14 C ATOM 543 O TYR A 54 7.223 12.197 29.264 1.00 11.73 O ATOM 544 CB TYR A 54 4.705 10.976 30.514 1.00 13.10 C ATOM 545 CG TYR A 54 3.622 10.008 30.933 1.00 11.22 C ATOM 546 CD1 TYR A 54 3.919 8.946 31.808 1.00 13.36 C ATOM 547 CD2 TYR A 54 2.303 10.194 30.477 1.00 13.72 C ATOM 548 CE1 TYR A 54 2.886 8.097 32.248 1.00 12.26 C ATOM 549 CE2 TYR A 54 1.277 9.328 30.896 1.00 13.52 C ATOM 550 CZ TYR A 54 1.569 8.281 31.787 1.00 12.36 C ATOM 551 OH TYR A 54 0.576 7.444 32.201 1.00 13.90 O ATOM 552 H TYR A 54 6.980 9.560 30.104 1.00 0.00 H ATOM 553 HH TYR A 54 0.882 6.837 32.869 1.00 0.00 H ATOM 554 N GLY A 55 5.593 12.573 27.742 1.00 12.01 N ATOM 555 CA GLY A 55 5.982 13.921 27.364 1.00 11.22 C ATOM 556 C GLY A 55 7.097 14.008 26.328 1.00 11.31 C ATOM 557 O GLY A 55 7.486 13.016 25.710 1.00 11.64 O ATOM 558 H GLY A 55 4.758 12.203 27.308 1.00 0.00 H ATOM 559 N ILE A 56 7.598 15.240 26.155 1.00 11.13 N ATOM 560 CA ILE A 56 8.628 15.634 25.193 1.00 11.06 C ATOM 561 C ILE A 56 10.020 15.026 25.478 1.00 10.21 C ATOM 562 O ILE A 56 10.848 14.953 24.571 1.00 12.58 O ATOM 563 CB ILE A 56 8.651 17.188 25.117 1.00 12.23 C ATOM 564 CG1 ILE A 56 9.414 17.709 23.882 1.00 12.28 C ATOM 565 CG2 ILE A 56 9.146 17.875 26.406 1.00 13.92 C ATOM 566 CD1 ILE A 56 9.096 19.170 23.536 1.00 18.90 C ATOM 567 H ILE A 56 7.205 15.982 26.715 1.00 0.00 H ATOM 568 N ILE A 57 10.262 14.556 26.712 1.00 10.80 N ATOM 569 CA ILE A 57 11.506 13.924 27.151 1.00 11.58 C ATOM 570 C ILE A 57 11.305 12.414 27.414 1.00 12.60 C ATOM 571 O ILE A 57 12.299 11.704 27.556 1.00 14.93 O ATOM 572 CB ILE A 57 12.043 14.710 28.389 1.00 0.00 C ATOM 573 CG1 ILE A 57 12.353 16.196 28.094 1.00 0.00 C ATOM 574 CG2 ILE A 57 13.263 14.071 29.065 1.00 0.00 C ATOM 575 CD1 ILE A 57 13.387 16.443 26.982 1.00 0.00 C ATOM 576 H ILE A 57 9.529 14.648 27.399 1.00 0.00 H ATOM 577 N GLN A 58 10.054 11.909 27.456 1.00 11.15 N ATOM 578 CA GLN A 58 9.691 10.494 27.650 1.00 11.59 C ATOM 579 C GLN A 58 10.134 9.988 29.032 1.00 12.28 C ATOM 580 O GLN A 58 10.835 8.985 29.159 1.00 16.38 O ATOM 581 CB GLN A 58 10.174 9.609 26.475 1.00 12.66 C ATOM 582 CG GLN A 58 9.388 9.825 25.173 1.00 12.90 C ATOM 583 CD GLN A 58 7.965 9.268 25.224 1.00 13.93 C ATOM 584 OE1 GLN A 58 7.758 8.066 25.098 1.00 15.93 O ATOM 585 NE2 GLN A 58 6.976 10.144 25.390 1.00 13.81 N ATOM 586 H GLN A 58 9.288 12.547 27.299 1.00 0.00 H ATOM 587 HE22 GLN A 58 6.021 9.819 25.437 1.00 0.00 H ATOM 588 HE21 GLN A 58 7.181 11.132 25.479 1.00 0.00 H ATOM 589 N ILE A 59 9.746 10.742 30.068 1.00 11.14 N ATOM 590 CA ILE A 59 10.085 10.519 31.467 1.00 12.69 C ATOM 591 C ILE A 59 9.205 9.375 31.999 1.00 11.92 C ATOM 592 O ILE A 59 7.976 9.439 31.929 1.00 12.81 O ATOM 593 CB ILE A 59 9.853 11.859 32.218 1.00 12.88 C ATOM 594 CG1 ILE A 59 10.914 12.901 31.787 1.00 16.58 C ATOM 595 CG2 ILE A 59 9.827 11.712 33.749 1.00 15.82 C ATOM 596 CD1 ILE A 59 10.661 14.335 32.273 1.00 20.06 C ATOM 597 H ILE A 59 9.154 11.536 29.867 1.00 0.00 H ATOM 598 N ASN A 60 9.872 8.326 32.507 1.00 13.13 N ATOM 599 CA ASN A 60 9.274 7.063 32.923 1.00 12.23 C ATOM 600 C ASN A 60 8.593 7.200 34.293 1.00 12.37 C ATOM 601 O ASN A 60 9.107 7.828 35.219 1.00 15.10 O ATOM 602 CB ASN A 60 10.393 6.003 33.002 1.00 14.92 C ATOM 603 CG ASN A 60 9.830 4.584 33.110 1.00 15.27 C ATOM 604 OD1 ASN A 60 9.733 4.036 34.205 1.00 18.11 O ATOM 605 ND2 ASN A 60 9.448 3.995 31.978 1.00 18.70 N ATOM 606 H ASN A 60 10.880 8.374 32.519 1.00 0.00 H ATOM 607 HD22 ASN A 60 9.053 3.062 32.003 1.00 0.00 H ATOM 608 HD21 ASN A 60 9.528 4.494 31.094 1.00 0.00 H ATOM 609 N SER A 61 7.421 6.570 34.394 1.00 12.35 N ATOM 610 CA SER A 61 6.489 6.673 35.503 1.00 12.09 C ATOM 611 C SER A 61 6.708 5.636 36.626 1.00 13.49 C ATOM 612 O SER A 61 5.974 5.669 37.613 1.00 15.29 O ATOM 613 CB SER A 61 5.096 6.545 34.871 1.00 14.79 C ATOM 614 OG SER A 61 4.884 5.270 34.298 1.00 13.83 O ATOM 615 H SER A 61 7.078 6.082 33.576 1.00 0.00 H ATOM 616 HG SER A 61 4.725 4.650 34.996 1.00 0.00 H ATOM 617 N ARG A 62 7.728 4.761 36.542 1.00 15.46 N ATOM 618 CA ARG A 62 8.160 3.948 37.685 1.00 16.61 C ATOM 619 C ARG A 62 9.068 4.757 38.631 1.00 16.86 C ATOM 620 O ARG A 62 9.077 4.486 39.829 1.00 26.96 O ATOM 621 CB ARG A 62 8.926 2.697 37.196 1.00 19.91 C ATOM 622 CG ARG A 62 9.507 1.834 38.339 1.00 26.96 C ATOM 623 CD ARG A 62 9.815 0.394 37.930 1.00 41.99 C ATOM 624 NE ARG A 62 8.608 -0.431 38.068 1.00 38.78 N ATOM 625 CZ ARG A 62 7.875 -0.940 37.067 1.00 40.02 C ATOM 626 NH1 ARG A 62 8.207 -0.753 35.787 1.00 45.48 N ATOM 627 NH2 ARG A 62 6.777 -1.646 37.351 1.00 51.32 N1+ ATOM 628 H ARG A 62 8.298 4.748 35.706 1.00 0.00 H ATOM 629 HE ARG A 62 8.284 -0.581 39.014 1.00 0.00 H ATOM 630 HH12 ARG A 62 7.640 -1.154 35.053 1.00 0.00 H ATOM 631 HH11 ARG A 62 9.051 -0.258 35.533 1.00 0.00 H ATOM 632 HH22 ARG A 62 6.245 -2.072 36.600 1.00 0.00 H ATOM 633 HH21 ARG A 62 6.459 -1.725 38.307 1.00 0.00 H ATOM 634 N TYR A 63 9.842 5.722 38.113 1.00 17.34 N ATOM 635 CA TYR A 63 10.913 6.371 38.869 1.00 17.97 C ATOM 636 C TYR A 63 10.644 7.855 39.136 1.00 16.02 C ATOM 637 O TYR A 63 11.109 8.358 40.157 1.00 19.73 O ATOM 638 CB TYR A 63 12.232 6.193 38.094 1.00 25.58 C ATOM 639 CG TYR A 63 12.646 4.742 37.926 1.00 28.37 C ATOM 640 CD1 TYR A 63 13.054 3.987 39.046 1.00 32.48 C ATOM 641 CD2 TYR A 63 12.584 4.130 36.656 1.00 34.89 C ATOM 642 CE1 TYR A 63 13.386 2.626 38.898 1.00 37.71 C ATOM 643 CE2 TYR A 63 12.918 2.770 36.508 1.00 35.23 C ATOM 644 CZ TYR A 63 13.315 2.017 37.630 1.00 35.13 C ATOM 645 OH TYR A 63 13.626 0.695 37.492 1.00 45.56 O ATOM 646 H TYR A 63 9.782 5.911 37.123 1.00 0.00 H ATOM 647 HH TYR A 63 13.579 0.394 36.597 1.00 0.00 H ATOM 648 N TRP A 64 9.928 8.557 38.241 1.00 13.82 N ATOM 649 CA TRP A 64 9.963 10.020 38.159 1.00 13.15 C ATOM 650 C TRP A 64 8.604 10.680 38.402 1.00 11.80 C ATOM 651 O TRP A 64 8.520 11.551 39.265 1.00 15.36 O ATOM 652 CB TRP A 64 10.590 10.428 36.815 1.00 13.45 C ATOM 653 CG TRP A 64 11.965 9.873 36.589 1.00 14.00 C ATOM 654 CD1 TRP A 64 12.322 8.989 35.630 1.00 16.69 C ATOM 655 CD2 TRP A 64 13.166 10.116 37.378 1.00 15.23 C ATOM 656 NE1 TRP A 64 13.648 8.642 35.795 1.00 17.44 N ATOM 657 CE2 TRP A 64 14.215 9.290 36.873 1.00 15.85 C ATOM 658 CE3 TRP A 64 13.476 10.955 38.474 1.00 16.08 C ATOM 659 CZ2 TRP A 64 15.497 9.273 37.449 1.00 17.87 C ATOM 660 CZ3 TRP A 64 14.756 10.945 39.062 1.00 17.34 C ATOM 661 CH2 TRP A 64 15.762 10.102 38.553 1.00 18.86 C ATOM 662 H TRP A 64 9.542 8.067 37.446 1.00 0.00 H ATOM 663 HE1 TRP A 64 14.118 7.982 35.192 1.00 0.00 H ATOM 664 N CYS A 65 7.548 10.260 37.693 1.00 14.31 N ATOM 665 CA CYS A 65 6.182 10.771 37.853 1.00 12.60 C ATOM 666 C CYS A 65 5.250 9.640 38.308 1.00 14.32 C ATOM 667 O CYS A 65 5.573 8.467 38.142 1.00 14.95 O ATOM 668 CB CYS A 65 5.728 11.449 36.543 1.00 13.50 C ATOM 669 SG CYS A 65 5.468 10.381 35.091 1.00 14.34 S ATOM 670 H CYS A 65 7.684 9.524 37.015 1.00 0.00 H ATOM 671 N ASN A 66 4.085 9.991 38.872 1.00 13.49 N ATOM 672 CA ASN A 66 3.037 9.048 39.269 1.00 12.07 C ATOM 673 C ASN A 66 1.842 9.187 38.315 1.00 13.15 C ATOM 674 O ASN A 66 1.344 10.290 38.101 1.00 12.75 O ATOM 675 CB ASN A 66 2.602 9.400 40.710 1.00 15.96 C ATOM 676 CG ASN A 66 1.594 8.414 41.309 1.00 19.44 C ATOM 677 OD1 ASN A 66 1.804 7.204 41.268 1.00 21.93 O ATOM 678 ND2 ASN A 66 0.475 8.924 41.825 1.00 22.57 N ATOM 679 H ASN A 66 3.892 10.976 39.002 1.00 0.00 H ATOM 680 HD22 ASN A 66 -0.219 8.304 42.218 1.00 0.00 H ATOM 681 HD21 ASN A 66 0.324 9.922 41.827 1.00 0.00 H ATOM 682 N ASP A 67 1.346 8.050 37.800 1.00 12.42 N ATOM 683 CA ASP A 67 0.067 7.941 37.087 1.00 13.42 C ATOM 684 C ASP A 67 -0.917 7.037 37.865 1.00 13.40 C ATOM 685 O ASP A 67 -2.061 6.882 37.439 1.00 16.86 O ATOM 686 CB ASP A 67 0.298 7.489 35.616 1.00 12.34 C ATOM 687 CG ASP A 67 0.809 6.063 35.370 1.00 13.28 C ATOM 688 OD1 ASP A 67 0.664 5.210 36.269 1.00 14.28 O ATOM 689 OD2 ASP A 67 1.325 5.831 34.256 1.00 14.87 O1- ATOM 690 H ASP A 67 1.834 7.187 37.990 1.00 0.00 H ATOM 691 N GLY A 68 -0.474 6.440 38.987 1.00 13.31 N ATOM 692 CA GLY A 68 -1.255 5.595 39.881 1.00 14.71 C ATOM 693 C GLY A 68 -1.429 4.130 39.452 1.00 17.90 C ATOM 694 O GLY A 68 -2.025 3.376 40.219 1.00 27.90 O ATOM 695 H GLY A 68 0.480 6.621 39.266 1.00 0.00 H ATOM 696 N LYS A 69 -0.925 3.713 38.273 1.00 18.83 N ATOM 697 CA LYS A 69 -1.137 2.376 37.702 1.00 17.60 C ATOM 698 C LYS A 69 0.152 1.568 37.467 1.00 18.43 C ATOM 699 O LYS A 69 0.060 0.449 36.962 1.00 23.74 O ATOM 700 CB LYS A 69 -2.045 2.447 36.447 1.00 20.00 C ATOM 701 CG LYS A 69 -1.442 3.178 35.229 1.00 19.72 C ATOM 702 CD LYS A 69 -2.116 2.811 33.897 1.00 28.11 C ATOM 703 CE LYS A 69 -1.384 3.376 32.666 1.00 40.33 C ATOM 704 NZ LYS A 69 -1.548 4.834 32.544 1.00 48.89 N1+ ATOM 705 H LYS A 69 -0.431 4.383 37.692 1.00 0.00 H ATOM 706 HZ1 LYS A 69 -1.068 5.162 31.718 1.00 0.00 H ATOM 707 HZ2 LYS A 69 -2.529 5.065 32.481 1.00 0.00 H ATOM 708 HZ3 LYS A 69 -1.145 5.280 33.356 1.00 0.00 H ATOM 709 N ASN A 70 1.335 2.090 37.835 1.00 17.05 N ATOM 710 CA ASN A 70 2.616 1.382 37.687 1.00 18.01 C ATOM 711 C ASN A 70 2.971 0.748 39.041 1.00 19.16 C ATOM 712 O ASN A 70 3.031 1.473 40.039 1.00 22.32 O ATOM 713 CB ASN A 70 3.784 2.344 37.360 1.00 0.00 C ATOM 714 CG ASN A 70 3.406 3.371 36.311 1.00 0.00 C ATOM 715 OD1 ASN A 70 3.098 3.040 35.170 1.00 0.00 O ATOM 716 ND2 ASN A 70 3.367 4.628 36.736 1.00 0.00 N ATOM 717 HD22 ASN A 70 2.997 5.338 36.117 1.00 0.00 H ATOM 718 HD21 ASN A 70 3.644 4.862 37.679 1.00 0.00 H ATOM 719 H ASN A 70 1.350 3.012 38.247 1.00 0.00 H ATOM 720 N PRO A 71 3.253 -0.573 39.097 1.00 20.91 N ATOM 721 CA PRO A 71 3.830 -1.239 40.276 1.00 23.96 C ATOM 722 C PRO A 71 5.194 -0.633 40.670 1.00 23.90 C ATOM 723 O PRO A 71 6.014 -0.347 39.798 1.00 25.80 O ATOM 724 CB PRO A 71 4.034 -2.706 39.854 1.00 25.33 C ATOM 725 CG PRO A 71 3.172 -2.915 38.620 1.00 29.02 C ATOM 726 CD PRO A 71 2.945 -1.527 38.032 1.00 23.02 C ATOM 727 N GLY A 72 5.445 -0.463 41.977 1.00 31.25 N ATOM 728 CA GLY A 72 6.732 -0.019 42.515 1.00 31.98 C ATOM 729 C GLY A 72 7.125 1.428 42.175 1.00 28.73 C ATOM 730 O GLY A 72 8.317 1.712 42.061 1.00 39.18 O ATOM 731 H GLY A 72 4.726 -0.711 42.641 1.00 0.00 H ATOM 732 N ALA A 73 6.136 2.321 41.982 1.00 25.80 N ATOM 733 CA ALA A 73 6.323 3.730 41.634 1.00 26.10 C ATOM 734 C ALA A 73 6.963 4.524 42.788 1.00 24.83 C ATOM 735 O ALA A 73 6.524 4.414 43.933 1.00 28.55 O ATOM 736 CB ALA A 73 4.958 4.342 41.285 1.00 30.47 C ATOM 737 H ALA A 73 5.185 1.998 42.078 1.00 0.00 H ATOM 738 N VAL A 74 8.005 5.312 42.473 1.00 25.08 N ATOM 739 CA VAL A 74 8.797 6.094 43.427 1.00 27.99 C ATOM 740 C VAL A 74 8.318 7.558 43.450 1.00 23.91 C ATOM 741 O VAL A 74 8.180 8.123 44.534 1.00 27.27 O ATOM 742 CB VAL A 74 10.295 6.019 43.010 1.00 26.11 C ATOM 743 CG1 VAL A 74 11.229 6.902 43.865 1.00 30.20 C ATOM 744 CG2 VAL A 74 10.813 4.568 43.028 1.00 34.73 C ATOM 745 H VAL A 74 8.322 5.303 41.512 1.00 0.00 H ATOM 746 N ASN A 75 8.090 8.170 42.270 1.00 22.30 N ATOM 747 CA ASN A 75 7.635 9.553 42.066 1.00 17.58 C ATOM 748 C ASN A 75 8.675 10.567 42.594 1.00 16.17 C ATOM 749 O ASN A 75 8.366 11.395 43.451 1.00 16.46 O ATOM 750 CB ASN A 75 6.205 9.759 42.640 1.00 17.90 C ATOM 751 CG ASN A 75 5.532 11.067 42.196 1.00 18.28 C ATOM 752 OD1 ASN A 75 5.938 11.691 41.220 1.00 18.76 O ATOM 753 ND2 ASN A 75 4.513 11.506 42.937 1.00 19.69 N ATOM 754 H ASN A 75 8.237 7.623 41.435 1.00 0.00 H ATOM 755 HD22 ASN A 75 4.046 12.365 42.682 1.00 0.00 H ATOM 756 HD21 ASN A 75 4.213 10.984 43.747 1.00 0.00 H ATOM 757 N ALA A 76 9.920 10.480 42.097 1.00 15.78 N ATOM 758 CA ALA A 76 11.053 11.283 42.561 1.00 15.84 C ATOM 759 C ALA A 76 10.989 12.771 42.159 1.00 16.60 C ATOM 760 O ALA A 76 11.645 13.585 42.809 1.00 18.71 O ATOM 761 CB ALA A 76 12.342 10.669 42.000 1.00 19.70 C ATOM 762 H ALA A 76 10.113 9.769 41.405 1.00 0.00 H ATOM 763 N CYS A 77 10.189 13.141 41.141 1.00 15.43 N ATOM 764 CA CYS A 77 9.926 14.535 40.764 1.00 15.15 C ATOM 765 C CYS A 77 8.733 15.123 41.536 1.00 15.94 C ATOM 766 O CYS A 77 8.594 16.344 41.572 1.00 16.72 O ATOM 767 CB CYS A 77 9.575 14.616 39.265 1.00 15.14 C ATOM 768 SG CYS A 77 10.928 14.122 38.171 1.00 14.34 S ATOM 769 H CYS A 77 9.681 12.422 40.640 1.00 0.00 H ATOM 770 N HIS A 78 7.876 14.272 42.132 1.00 15.99 N ATOM 771 CA HIS A 78 6.706 14.633 42.941 1.00 16.71 C ATOM 772 C HIS A 78 5.604 15.303 42.100 1.00 17.72 C ATOM 773 O HIS A 78 4.948 16.242 42.548 1.00 18.21 O ATOM 774 CB HIS A 78 7.087 15.379 44.241 1.00 25.66 C ATOM 775 CG HIS A 78 7.909 14.535 45.185 1.00 30.49 C ATOM 776 ND1 HIS A 78 9.275 14.355 45.050 1.00 33.57 N ATOM 777 CD2 HIS A 78 7.540 13.756 46.261 1.00 31.11 C ATOM 778 CE1 HIS A 78 9.658 13.507 46.008 1.00 32.40 C ATOM 779 NE2 HIS A 78 8.659 13.105 46.784 1.00 35.66 N ATOM 780 H HIS A 78 8.072 13.283 42.055 1.00 0.00 H ATOM 781 HD1 HIS A 78 9.867 14.758 44.338 1.00 0.00 H ATOM 782 N LEU A 79 5.443 14.819 40.859 1.00 15.10 N ATOM 783 CA LEU A 79 4.467 15.261 39.871 1.00 16.14 C ATOM 784 C LEU A 79 3.500 14.125 39.538 1.00 14.36 C ATOM 785 O LEU A 79 3.865 12.949 39.551 1.00 16.77 O ATOM 786 CB LEU A 79 5.194 15.628 38.557 1.00 20.57 C ATOM 787 CG LEU A 79 5.961 16.961 38.553 1.00 27.66 C ATOM 788 CD1 LEU A 79 6.744 17.086 37.240 1.00 29.20 C ATOM 789 CD2 LEU A 79 5.034 18.177 38.725 1.00 32.17 C ATOM 790 H LEU A 79 6.023 14.035 40.593 1.00 0.00 H ATOM 791 N SER A 80 2.292 14.510 39.104 1.00 12.78 N ATOM 792 CA SER A 80 1.430 13.671 38.283 1.00 13.23 C ATOM 793 C SER A 80 2.027 13.626 36.863 1.00 12.09 C ATOM 794 O SER A 80 2.485 14.651 36.358 1.00 12.94 O ATOM 795 CB SER A 80 0.023 14.302 38.237 1.00 14.70 C ATOM 796 OG SER A 80 -0.865 13.527 37.455 1.00 14.92 O ATOM 797 H SER A 80 2.079 15.497 39.121 1.00 0.00 H ATOM 798 HG SER A 80 -0.993 12.693 37.883 1.00 0.00 H ATOM 799 N CYS A 81 1.998 12.456 36.206 1.00 12.15 N ATOM 800 CA CYS A 81 2.478 12.279 34.831 1.00 11.82 C ATOM 801 C CYS A 81 1.652 13.054 33.785 1.00 11.57 C ATOM 802 O CYS A 81 2.139 13.279 32.678 1.00 13.13 O ATOM 803 CB CYS A 81 2.454 10.792 34.454 1.00 13.14 C ATOM 804 SG CYS A 81 3.571 9.669 35.336 1.00 13.20 S ATOM 805 H CYS A 81 1.632 11.642 36.684 1.00 0.00 H ATOM 806 N SER A 82 0.433 13.498 34.143 1.00 12.73 N ATOM 807 CA SER A 82 -0.418 14.385 33.348 1.00 13.54 C ATOM 808 C SER A 82 0.158 15.810 33.200 1.00 11.95 C ATOM 809 O SER A 82 -0.177 16.492 32.231 1.00 13.03 O ATOM 810 CB SER A 82 -1.828 14.420 33.979 1.00 17.55 C ATOM 811 OG SER A 82 -1.888 15.146 35.194 1.00 18.83 O ATOM 812 H SER A 82 0.109 13.270 35.072 1.00 0.00 H ATOM 813 HG SER A 82 -1.443 14.654 35.871 1.00 0.00 H ATOM 814 N ALA A 83 1.056 16.239 34.109 1.00 12.11 N ATOM 815 CA ALA A 83 1.773 17.516 34.048 1.00 12.56 C ATOM 816 C ALA A 83 2.850 17.532 32.948 1.00 13.55 C ATOM 817 O ALA A 83 3.252 18.606 32.502 1.00 15.23 O ATOM 818 CB ALA A 83 2.462 17.766 35.400 1.00 15.16 C ATOM 819 H ALA A 83 1.295 15.618 34.871 1.00 0.00 H ATOM 820 N LEU A 84 3.287 16.348 32.489 1.00 12.54 N ATOM 821 CA LEU A 84 4.250 16.155 31.408 1.00 12.71 C ATOM 822 C LEU A 84 3.554 16.064 30.033 1.00 13.40 C ATOM 823 O LEU A 84 4.248 15.985 29.021 1.00 16.08 O ATOM 824 CB LEU A 84 5.000 14.827 31.658 1.00 14.18 C ATOM 825 CG LEU A 84 5.662 14.692 33.049 1.00 17.81 C ATOM 826 CD1 LEU A 84 6.260 13.293 33.202 1.00 20.67 C ATOM 827 CD2 LEU A 84 6.735 15.758 33.292 1.00 21.32 C ATOM 828 H LEU A 84 2.896 15.513 32.902 1.00 0.00 H ATOM 829 N LEU A 85 2.209 16.103 29.986 1.00 12.93 N ATOM 830 CA LEU A 85 1.395 16.086 28.766 1.00 13.54 C ATOM 831 C LEU A 85 0.787 17.464 28.436 1.00 13.88 C ATOM 832 O LEU A 85 -0.018 17.567 27.510 1.00 16.87 O ATOM 833 CB LEU A 85 0.288 15.017 28.897 1.00 13.39 C ATOM 834 CG LEU A 85 0.796 13.562 29.012 1.00 13.51 C ATOM 835 CD1 LEU A 85 -0.396 12.606 29.170 1.00 18.29 C ATOM 836 CD2 LEU A 85 1.670 13.146 27.814 1.00 16.82 C ATOM 837 H LEU A 85 1.710 16.172 30.862 1.00 0.00 H ATOM 838 N GLN A 86 1.205 18.526 29.144 1.00 14.21 N ATOM 839 CA GLN A 86 0.831 19.918 28.885 1.00 14.01 C ATOM 840 C GLN A 86 1.650 20.481 27.709 1.00 14.22 C ATOM 841 O GLN A 86 2.784 20.060 27.480 1.00 16.42 O ATOM 842 CB GLN A 86 1.198 20.759 30.125 1.00 15.40 C ATOM 843 CG GLN A 86 0.403 20.416 31.394 1.00 18.36 C ATOM 844 CD GLN A 86 0.753 21.384 32.525 1.00 22.98 C ATOM 845 OE1 GLN A 86 0.186 22.470 32.614 1.00 25.88 O ATOM 846 NE2 GLN A 86 1.690 20.992 33.390 1.00 27.04 N ATOM 847 H GLN A 86 1.884 18.366 29.873 1.00 0.00 H ATOM 848 HE22 GLN A 86 1.967 21.588 34.160 1.00 0.00 H ATOM 849 HE21 GLN A 86 2.166 20.111 33.249 1.00 0.00 H ATOM 850 N ASP A 87 1.097 21.484 27.004 1.00 13.89 N ATOM 851 CA ASP A 87 1.797 22.255 25.965 1.00 14.61 C ATOM 852 C ASP A 87 2.904 23.154 26.549 1.00 16.13 C ATOM 853 O ASP A 87 3.905 23.398 25.875 1.00 20.65 O ATOM 854 CB ASP A 87 0.801 23.146 25.183 1.00 15.52 C ATOM 855 CG ASP A 87 -0.276 22.398 24.389 1.00 15.85 C ATOM 856 OD1 ASP A 87 -0.116 21.176 24.171 1.00 18.46 O ATOM 857 OD2 ASP A 87 -1.226 23.085 23.958 1.00 18.72 O1- ATOM 858 H ASP A 87 0.154 21.765 27.229 1.00 0.00 H ATOM 859 N ASN A 88 2.743 23.599 27.808 1.00 15.81 N ATOM 860 CA ASN A 88 3.755 24.289 28.603 1.00 17.79 C ATOM 861 C ASN A 88 4.642 23.206 29.242 1.00 16.08 C ATOM 862 O ASN A 88 4.143 22.321 29.936 1.00 19.07 O ATOM 863 CB ASN A 88 3.027 25.088 29.712 1.00 20.11 C ATOM 864 CG ASN A 88 3.942 26.097 30.415 1.00 22.92 C ATOM 865 OD1 ASN A 88 4.848 25.713 31.149 1.00 26.75 O ATOM 866 ND2 ASN A 88 3.723 27.393 30.180 1.00 44.22 N ATOM 867 H ASN A 88 1.894 23.337 28.288 1.00 0.00 H ATOM 868 HD22 ASN A 88 4.309 28.083 30.626 1.00 0.00 H ATOM 869 HD21 ASN A 88 2.969 27.679 29.574 1.00 0.00 H ATOM 870 N ILE A 89 5.957 23.285 28.995 1.00 12.57 N ATOM 871 CA ILE A 89 6.934 22.261 29.369 1.00 12.70 C ATOM 872 C ILE A 89 7.725 22.625 30.642 1.00 11.43 C ATOM 873 O ILE A 89 8.750 21.999 30.897 1.00 12.56 O ATOM 874 CB ILE A 89 7.878 21.984 28.160 1.00 12.99 C ATOM 875 CG1 ILE A 89 8.769 23.183 27.744 1.00 14.29 C ATOM 876 CG2 ILE A 89 7.074 21.431 26.967 1.00 16.72 C ATOM 877 CD1 ILE A 89 9.894 22.792 26.775 1.00 17.23 C ATOM 878 H ILE A 89 6.292 24.051 28.429 1.00 0.00 H ATOM 879 N ALA A 90 7.272 23.599 31.455 1.00 12.52 N ATOM 880 CA ALA A 90 7.949 24.042 32.680 1.00 11.88 C ATOM 881 C ALA A 90 8.094 22.938 33.745 1.00 12.16 C ATOM 882 O ALA A 90 9.166 22.818 34.339 1.00 12.58 O ATOM 883 CB ALA A 90 7.204 25.247 33.273 1.00 16.43 C ATOM 884 H ALA A 90 6.415 24.073 31.202 1.00 0.00 H ATOM 885 N ASP A 91 7.056 22.103 33.941 1.00 12.34 N ATOM 886 CA ASP A 91 7.075 20.951 34.854 1.00 13.06 C ATOM 887 C ASP A 91 7.864 19.763 34.279 1.00 13.27 C ATOM 888 O ASP A 91 8.473 19.020 35.048 1.00 14.41 O ATOM 889 CB ASP A 91 5.632 20.473 35.155 1.00 16.70 C ATOM 890 CG ASP A 91 4.768 21.489 35.910 1.00 21.64 C ATOM 891 OD1 ASP A 91 5.343 22.275 36.695 1.00 25.67 O ATOM 892 OD2 ASP A 91 3.536 21.444 35.709 1.00 30.98 O1- ATOM 893 H ASP A 91 6.206 22.268 33.421 1.00 0.00 H ATOM 894 N ALA A 92 7.903 19.606 32.943 1.00 12.68 N ATOM 895 CA ALA A 92 8.696 18.584 32.258 1.00 12.92 C ATOM 896 C ALA A 92 10.198 18.895 32.308 1.00 11.99 C ATOM 897 O ALA A 92 10.997 17.974 32.465 1.00 13.19 O ATOM 898 CB ALA A 92 8.237 18.479 30.795 1.00 14.28 C ATOM 899 H ALA A 92 7.391 20.261 32.370 1.00 0.00 H ATOM 900 N VAL A 93 10.572 20.183 32.238 1.00 11.60 N ATOM 901 CA VAL A 93 11.934 20.681 32.407 1.00 11.58 C ATOM 902 C VAL A 93 12.382 20.586 33.877 1.00 10.95 C ATOM 903 O VAL A 93 13.526 20.211 34.118 1.00 12.78 O ATOM 904 CB VAL A 93 12.017 22.133 31.855 1.00 12.54 C ATOM 905 CG1 VAL A 93 13.259 22.910 32.328 1.00 15.10 C ATOM 906 CG2 VAL A 93 11.982 22.118 30.316 1.00 14.14 C ATOM 907 H VAL A 93 9.850 20.874 32.079 1.00 0.00 H ATOM 908 N ALA A 94 11.498 20.865 34.852 1.00 11.32 N ATOM 909 CA ALA A 94 11.787 20.759 36.286 1.00 14.03 C ATOM 910 C ALA A 94 12.050 19.310 36.733 1.00 11.77 C ATOM 911 O ALA A 94 12.895 19.081 37.600 1.00 13.70 O ATOM 912 CB ALA A 94 10.602 21.331 37.079 1.00 15.14 C ATOM 913 H ALA A 94 10.573 21.179 34.587 1.00 0.00 H ATOM 914 N CYS A 95 11.367 18.337 36.107 1.00 11.92 N ATOM 915 CA CYS A 95 11.550 16.911 36.354 1.00 11.46 C ATOM 916 C CYS A 95 12.728 16.337 35.548 1.00 10.97 C ATOM 917 O CYS A 95 13.410 15.453 36.056 1.00 12.53 O ATOM 918 CB CYS A 95 10.248 16.185 35.980 1.00 12.67 C ATOM 919 SG CYS A 95 10.180 14.395 36.294 1.00 13.56 S ATOM 920 H CYS A 95 10.679 18.606 35.416 1.00 0.00 H ATOM 921 N ALA A 96 13.026 16.863 34.346 1.00 10.42 N ATOM 922 CA ALA A 96 14.211 16.495 33.562 1.00 11.09 C ATOM 923 C ALA A 96 15.510 16.985 34.228 1.00 11.76 C ATOM 924 O ALA A 96 16.524 16.295 34.151 1.00 13.14 O ATOM 925 CB ALA A 96 14.106 17.100 32.155 1.00 13.08 C ATOM 926 H ALA A 96 12.420 17.576 33.963 1.00 0.00 H ATOM 927 N LYS A 97 15.454 18.126 34.939 1.00 11.55 N ATOM 928 CA LYS A 97 16.513 18.643 35.803 1.00 11.67 C ATOM 929 C LYS A 97 16.747 17.729 37.017 1.00 11.49 C ATOM 930 O LYS A 97 17.900 17.460 37.342 1.00 14.28 O ATOM 931 CB LYS A 97 16.146 20.059 36.288 1.00 12.72 C ATOM 932 CG LYS A 97 16.417 21.152 35.243 1.00 12.67 C ATOM 933 CD LYS A 97 16.003 22.535 35.755 1.00 13.88 C ATOM 934 CE LYS A 97 16.281 23.651 34.745 1.00 14.34 C ATOM 935 NZ LYS A 97 15.906 24.958 35.304 1.00 16.93 N1+ ATOM 936 H LYS A 97 14.588 18.648 34.919 1.00 0.00 H ATOM 937 HZ1 LYS A 97 15.994 25.662 34.580 1.00 0.00 H ATOM 938 HZ2 LYS A 97 14.945 24.931 35.613 1.00 0.00 H ATOM 939 HZ3 LYS A 97 16.509 25.189 36.080 1.00 0.00 H ATOM 940 N ARG A 98 15.672 17.216 37.648 1.00 12.01 N ATOM 941 CA ARG A 98 15.730 16.240 38.741 1.00 12.87 C ATOM 942 C ARG A 98 16.379 14.909 38.316 1.00 12.26 C ATOM 943 O ARG A 98 17.185 14.381 39.081 1.00 14.55 O ATOM 944 CB ARG A 98 14.317 16.031 39.345 1.00 13.46 C ATOM 945 CG ARG A 98 14.159 14.873 40.358 1.00 14.92 C ATOM 946 CD ARG A 98 15.005 15.025 41.632 1.00 17.52 C ATOM 947 NE ARG A 98 15.044 13.775 42.407 1.00 17.98 N ATOM 948 CZ ARG A 98 16.020 12.848 42.371 1.00 18.76 C ATOM 949 NH1 ARG A 98 17.056 12.949 41.531 1.00 21.63 N ATOM 950 NH2 ARG A 98 15.960 11.789 43.186 1.00 21.98 N1+ ATOM 951 H ARG A 98 14.756 17.480 37.314 1.00 0.00 H ATOM 952 HE ARG A 98 14.251 13.615 43.014 1.00 0.00 H ATOM 953 HH12 ARG A 98 17.802 12.251 41.531 1.00 0.00 H ATOM 954 HH11 ARG A 98 17.093 13.688 40.840 1.00 0.00 H ATOM 955 HH22 ARG A 98 16.687 11.088 43.150 1.00 0.00 H ATOM 956 HH21 ARG A 98 15.196 11.678 43.837 1.00 0.00 H ATOM 957 N VAL A 99 16.070 14.395 37.110 1.00 11.86 N ATOM 958 CA VAL A 99 16.643 13.168 36.539 1.00 12.33 C ATOM 959 C VAL A 99 18.178 13.239 36.451 1.00 12.78 C ATOM 960 O VAL A 99 18.855 12.300 36.868 1.00 14.35 O ATOM 961 CB VAL A 99 16.007 12.850 35.153 1.00 12.64 C ATOM 962 CG1 VAL A 99 16.692 11.673 34.421 1.00 14.52 C ATOM 963 CG2 VAL A 99 14.496 12.570 35.232 1.00 14.42 C ATOM 964 H VAL A 99 15.384 14.883 36.549 1.00 0.00 H ATOM 965 N VAL A 100 18.715 14.355 35.930 1.00 13.05 N ATOM 966 CA VAL A 100 20.146 14.522 35.688 1.00 12.65 C ATOM 967 C VAL A 100 20.929 14.985 36.932 1.00 14.23 C ATOM 968 O VAL A 100 22.155 15.026 36.855 1.00 17.68 O ATOM 969 CB VAL A 100 20.380 15.484 34.493 1.00 12.79 C ATOM 970 CG1 VAL A 100 19.716 14.941 33.217 1.00 14.07 C ATOM 971 CG2 VAL A 100 19.959 16.941 34.741 1.00 14.57 C ATOM 972 H VAL A 100 18.097 15.093 35.621 1.00 0.00 H ATOM 973 N ARG A 101 20.270 15.275 38.075 1.00 15.12 N ATOM 974 CA ARG A 101 20.933 15.489 39.370 1.00 17.78 C ATOM 975 C ARG A 101 21.409 14.174 40.020 1.00 20.08 C ATOM 976 O ARG A 101 22.270 14.233 40.899 1.00 23.74 O ATOM 977 CB ARG A 101 20.017 16.246 40.357 1.00 18.42 C ATOM 978 CG ARG A 101 19.953 17.759 40.074 1.00 18.87 C ATOM 979 CD ARG A 101 19.426 18.598 41.247 1.00 18.67 C ATOM 980 NE ARG A 101 18.056 18.239 41.644 1.00 20.24 N ATOM 981 CZ ARG A 101 16.919 18.760 41.152 1.00 16.31 C ATOM 982 NH1 ARG A 101 16.921 19.609 40.116 1.00 19.85 N ATOM 983 NH2 ARG A 101 15.751 18.422 41.712 1.00 21.13 N1+ ATOM 984 H ARG A 101 19.261 15.230 38.069 1.00 0.00 H ATOM 985 HE ARG A 101 17.989 17.562 42.391 1.00 0.00 H ATOM 986 HH12 ARG A 101 16.056 19.990 39.761 1.00 0.00 H ATOM 987 HH11 ARG A 101 17.793 19.863 39.667 1.00 0.00 H ATOM 988 HH22 ARG A 101 14.886 18.809 41.363 1.00 0.00 H ATOM 989 HH21 ARG A 101 15.728 17.812 42.516 1.00 0.00 H ATOM 990 N ASP A 102 20.937 13.002 39.554 1.00 17.13 N ATOM 991 CA ASP A 102 21.530 11.698 39.877 1.00 18.60 C ATOM 992 C ASP A 102 22.852 11.507 39.096 1.00 18.33 C ATOM 993 O ASP A 102 22.999 12.100 38.023 1.00 17.88 O ATOM 994 CB ASP A 102 20.555 10.549 39.514 1.00 25.63 C ATOM 995 CG ASP A 102 19.379 10.372 40.482 1.00 29.45 C ATOM 996 OD1 ASP A 102 19.199 11.226 41.378 1.00 31.08 O ATOM 997 OD2 ASP A 102 18.679 9.350 40.324 1.00 39.39 O1- ATOM 998 H ASP A 102 20.230 13.020 38.832 1.00 0.00 H ATOM 999 N PRO A 103 23.817 10.705 39.618 1.00 21.13 N ATOM 1000 CA PRO A 103 25.161 10.480 39.042 1.00 24.39 C ATOM 1001 C PRO A 103 25.247 10.153 37.542 1.00 20.09 C ATOM 1002 O PRO A 103 26.219 10.539 36.893 1.00 18.73 O ATOM 1003 CB PRO A 103 25.751 9.311 39.844 1.00 27.01 C ATOM 1004 CG PRO A 103 25.065 9.383 41.191 1.00 27.24 C ATOM 1005 CD PRO A 103 23.698 9.998 40.900 1.00 23.20 C ATOM 1006 N GLN A 104 24.237 9.451 37.002 1.00 18.34 N ATOM 1007 CA GLN A 104 24.164 8.981 35.621 1.00 21.23 C ATOM 1008 C GLN A 104 24.032 10.139 34.608 1.00 17.94 C ATOM 1009 O GLN A 104 24.524 10.031 33.485 1.00 18.00 O ATOM 1010 CB GLN A 104 22.951 8.026 35.523 1.00 24.12 C ATOM 1011 CG GLN A 104 23.136 6.906 34.480 1.00 47.13 C ATOM 1012 CD GLN A 104 21.965 5.924 34.355 1.00 47.32 C ATOM 1013 OE1 GLN A 104 22.056 4.971 33.586 1.00 60.39 O ATOM 1014 NE2 GLN A 104 20.866 6.129 35.084 1.00 62.61 N ATOM 1015 H GLN A 104 23.477 9.187 37.612 1.00 0.00 H ATOM 1016 HE22 GLN A 104 20.092 5.485 35.011 1.00 0.00 H ATOM 1017 HE21 GLN A 104 20.811 6.919 35.710 1.00 0.00 H ATOM 1018 N GLY A 105 23.402 11.255 35.015 1.00 16.59 N ATOM 1019 CA GLY A 105 23.162 12.426 34.182 1.00 17.91 C ATOM 1020 C GLY A 105 22.128 12.131 33.092 1.00 15.90 C ATOM 1021 O GLY A 105 21.127 11.458 33.343 1.00 17.09 O ATOM 1022 H GLY A 105 23.055 11.287 35.964 1.00 0.00 H ATOM 1023 N ILE A 106 22.387 12.636 31.876 1.00 15.81 N ATOM 1024 CA ILE A 106 21.558 12.442 30.683 1.00 17.11 C ATOM 1025 C ILE A 106 21.675 11.019 30.074 1.00 15.80 C ATOM 1026 O ILE A 106 20.902 10.680 29.178 1.00 16.82 O ATOM 1027 CB ILE A 106 21.909 13.558 29.658 1.00 17.55 C ATOM 1028 CG1 ILE A 106 20.881 13.643 28.507 1.00 19.14 C ATOM 1029 CG2 ILE A 106 23.358 13.473 29.131 1.00 21.03 C ATOM 1030 CD1 ILE A 106 20.810 15.011 27.820 1.00 17.90 C ATOM 1031 H ILE A 106 23.227 13.183 31.758 1.00 0.00 H ATOM 1032 N ARG A 107 22.569 10.155 30.592 1.00 16.58 N ATOM 1033 CA ARG A 107 22.649 8.731 30.235 1.00 17.13 C ATOM 1034 C ARG A 107 21.524 7.898 30.876 1.00 20.36 C ATOM 1035 O ARG A 107 21.408 6.720 30.552 1.00 21.86 O ATOM 1036 CB ARG A 107 24.004 8.144 30.680 1.00 18.94 C ATOM 1037 CG ARG A 107 25.176 8.713 29.879 1.00 23.89 C ATOM 1038 CD ARG A 107 26.549 8.359 30.460 1.00 39.98 C ATOM 1039 NE ARG A 107 27.560 9.238 29.863 1.00 47.72 N ATOM 1040 CZ ARG A 107 27.766 10.519 30.215 1.00 67.00 C ATOM 1041 NH1 ARG A 107 27.119 11.082 31.249 1.00 74.07 N ATOM 1042 NH2 ARG A 107 28.627 11.255 29.503 1.00 64.71 N1+ ATOM 1043 H ARG A 107 23.165 10.478 31.341 1.00 0.00 H ATOM 1044 HE ARG A 107 28.064 8.861 29.071 1.00 0.00 H ATOM 1045 HH12 ARG A 107 27.290 12.044 31.501 1.00 0.00 H ATOM 1046 HH11 ARG A 107 26.470 10.535 31.798 1.00 0.00 H ATOM 1047 HH22 ARG A 107 28.802 12.219 29.745 1.00 0.00 H ATOM 1048 HH21 ARG A 107 29.124 10.846 28.724 1.00 0.00 H ATOM 1049 N ALA A 108 20.663 8.494 31.722 1.00 18.54 N ATOM 1050 CA ALA A 108 19.427 7.895 32.235 1.00 21.58 C ATOM 1051 C ALA A 108 18.443 7.495 31.120 1.00 18.41 C ATOM 1052 O ALA A 108 17.740 6.494 31.258 1.00 24.26 O ATOM 1053 CB ALA A 108 18.767 8.884 33.207 1.00 25.52 C ATOM 1054 H ALA A 108 20.825 9.465 31.952 1.00 0.00 H ATOM 1055 N TRP A 109 18.448 8.237 30.001 1.00 16.15 N ATOM 1056 CA TRP A 109 17.746 7.910 28.766 1.00 16.79 C ATOM 1057 C TRP A 109 18.717 7.179 27.829 1.00 15.57 C ATOM 1058 O TRP A 109 19.778 7.708 27.489 1.00 17.44 O ATOM 1059 CB TRP A 109 17.313 9.227 28.101 1.00 14.21 C ATOM 1060 CG TRP A 109 16.303 10.011 28.886 1.00 14.22 C ATOM 1061 CD1 TRP A 109 14.972 9.778 28.907 1.00 17.01 C ATOM 1062 CD2 TRP A 109 16.521 11.159 29.760 1.00 13.07 C ATOM 1063 NE1 TRP A 109 14.359 10.678 29.753 1.00 16.16 N ATOM 1064 CE2 TRP A 109 15.266 11.557 30.309 1.00 14.95 C ATOM 1065 CE3 TRP A 109 17.653 11.915 30.137 1.00 14.74 C ATOM 1066 CZ2 TRP A 109 15.147 12.641 31.199 1.00 16.94 C ATOM 1067 CZ3 TRP A 109 17.539 13.030 30.992 1.00 14.74 C ATOM 1068 CH2 TRP A 109 16.288 13.396 31.521 1.00 16.52 C ATOM 1069 H TRP A 109 19.067 9.035 29.969 1.00 0.00 H ATOM 1070 HE1 TRP A 109 13.358 10.687 29.891 1.00 0.00 H ATOM 1071 N VAL A 110 18.340 5.959 27.410 1.00 18.17 N ATOM 1072 CA VAL A 110 19.128 5.104 26.516 1.00 20.77 C ATOM 1073 C VAL A 110 19.147 5.632 25.070 1.00 18.43 C ATOM 1074 O VAL A 110 20.103 5.356 24.349 1.00 20.67 O ATOM 1075 CB VAL A 110 18.591 3.645 26.544 1.00 28.20 C ATOM 1076 CG1 VAL A 110 18.660 3.044 27.959 1.00 32.48 C ATOM 1077 CG2 VAL A 110 17.180 3.461 25.947 1.00 32.96 C ATOM 1078 H VAL A 110 17.457 5.592 27.737 1.00 0.00 H ATOM 1079 N ALA A 111 18.132 6.417 24.659 1.00 18.39 N ATOM 1080 CA ALA A 111 18.038 7.030 23.334 1.00 20.08 C ATOM 1081 C ALA A 111 19.119 8.098 23.119 1.00 17.47 C ATOM 1082 O ALA A 111 19.590 8.245 21.995 1.00 19.35 O ATOM 1083 CB ALA A 111 16.658 7.680 23.163 1.00 21.74 C ATOM 1084 H ALA A 111 17.383 6.610 25.309 1.00 0.00 H ATOM 1085 N TRP A 112 19.560 8.785 24.190 1.00 16.39 N ATOM 1086 CA TRP A 112 20.693 9.707 24.151 1.00 14.27 C ATOM 1087 C TRP A 112 22.025 8.957 23.968 1.00 14.94 C ATOM 1088 O TRP A 112 22.897 9.460 23.265 1.00 14.58 O ATOM 1089 CB TRP A 112 20.738 10.550 25.442 1.00 14.56 C ATOM 1090 CG TRP A 112 21.817 11.593 25.458 1.00 15.83 C ATOM 1091 CD1 TRP A 112 21.701 12.853 24.977 1.00 15.71 C ATOM 1092 CD2 TRP A 112 23.196 11.466 25.924 1.00 15.54 C ATOM 1093 NE1 TRP A 112 22.919 13.492 25.067 1.00 15.81 N ATOM 1094 CE2 TRP A 112 23.883 12.683 25.631 1.00 16.34 C ATOM 1095 CE3 TRP A 112 23.946 10.439 26.546 1.00 16.24 C ATOM 1096 CZ2 TRP A 112 25.246 12.866 25.920 1.00 19.60 C ATOM 1097 CZ3 TRP A 112 25.310 10.618 26.852 1.00 19.22 C ATOM 1098 CH2 TRP A 112 25.961 11.825 26.537 1.00 21.44 C ATOM 1099 H TRP A 112 19.133 8.605 25.088 1.00 0.00 H ATOM 1100 HE1 TRP A 112 23.075 14.429 24.721 1.00 0.00 H ATOM 1101 N ARG A 113 22.184 7.751 24.541 1.00 15.14 N ATOM 1102 CA ARG A 113 23.388 6.933 24.362 1.00 16.43 C ATOM 1103 C ARG A 113 23.516 6.424 22.916 1.00 17.09 C ATOM 1104 O ARG A 113 24.626 6.354 22.390 1.00 18.84 O ATOM 1105 CB ARG A 113 23.364 5.701 25.286 1.00 19.05 C ATOM 1106 CG ARG A 113 23.190 5.990 26.783 1.00 21.06 C ATOM 1107 CD ARG A 113 23.338 4.692 27.592 1.00 31.33 C ATOM 1108 NE ARG A 113 22.598 4.735 28.857 1.00 32.96 N ATOM 1109 CZ ARG A 113 22.248 3.669 29.597 1.00 39.44 C ATOM 1110 NH1 ARG A 113 22.564 2.421 29.226 1.00 48.10 N ATOM 1111 NH2 ARG A 113 21.568 3.858 30.733 1.00 49.31 N1+ ATOM 1112 H ARG A 113 21.426 7.368 25.089 1.00 0.00 H ATOM 1113 HE ARG A 113 22.335 5.651 29.203 1.00 0.00 H ATOM 1114 HH12 ARG A 113 22.295 1.632 29.795 1.00 0.00 H ATOM 1115 HH11 ARG A 113 23.079 2.263 28.372 1.00 0.00 H ATOM 1116 HH22 ARG A 113 21.305 3.081 31.322 1.00 0.00 H ATOM 1117 HH21 ARG A 113 21.341 4.800 31.029 1.00 0.00 H ATOM 1118 N ASN A 114 22.376 6.091 22.286 1.00 15.91 N ATOM 1119 CA ASN A 114 22.294 5.523 20.944 1.00 17.99 C ATOM 1120 C ASN A 114 22.430 6.604 19.857 1.00 15.89 C ATOM 1121 O ASN A 114 23.072 6.344 18.842 1.00 20.21 O ATOM 1122 CB ASN A 114 20.913 4.841 20.748 1.00 22.77 C ATOM 1123 CG ASN A 114 20.626 3.654 21.678 1.00 26.98 C ATOM 1124 OD1 ASN A 114 21.519 3.112 22.324 1.00 28.93 O ATOM 1125 ND2 ASN A 114 19.354 3.258 21.766 1.00 33.78 N ATOM 1126 H ASN A 114 21.513 6.173 22.805 1.00 0.00 H ATOM 1127 HD22 ASN A 114 19.117 2.489 22.376 1.00 0.00 H ATOM 1128 HD21 ASN A 114 18.636 3.725 21.232 1.00 0.00 H ATOM 1129 N ARG A 115 21.813 7.785 20.048 1.00 16.64 N ATOM 1130 CA ARG A 115 21.603 8.790 19.002 1.00 17.38 C ATOM 1131 C ARG A 115 22.409 10.086 19.183 1.00 17.46 C ATOM 1132 O ARG A 115 22.423 10.885 18.247 1.00 20.36 O ATOM 1133 CB ARG A 115 20.110 9.191 18.984 1.00 18.38 C ATOM 1134 CG ARG A 115 19.121 8.050 18.696 1.00 24.94 C ATOM 1135 CD ARG A 115 19.133 7.624 17.225 1.00 30.28 C ATOM 1136 NE ARG A 115 18.091 6.627 16.951 1.00 32.22 N ATOM 1137 CZ ARG A 115 17.659 6.270 15.730 1.00 32.89 C ATOM 1138 NH1 ARG A 115 18.152 6.842 14.621 1.00 35.05 N ATOM 1139 NH2 ARG A 115 16.721 5.322 15.618 1.00 36.35 N1+ ATOM 1140 H ARG A 115 21.314 7.923 20.917 1.00 0.00 H ATOM 1141 HE ARG A 115 17.703 6.159 17.758 1.00 0.00 H ATOM 1142 HH12 ARG A 115 17.822 6.566 13.708 1.00 0.00 H ATOM 1143 HH11 ARG A 115 18.850 7.567 14.698 1.00 0.00 H ATOM 1144 HH22 ARG A 115 16.385 5.039 14.709 1.00 0.00 H ATOM 1145 HH21 ARG A 115 16.336 4.882 16.442 1.00 0.00 H ATOM 1146 N CYS A 116 23.025 10.337 20.353 1.00 15.08 N ATOM 1147 CA CYS A 116 23.574 11.652 20.720 1.00 14.67 C ATOM 1148 C CYS A 116 24.998 11.588 21.277 1.00 16.40 C ATOM 1149 O CYS A 116 25.790 12.490 21.004 1.00 18.54 O ATOM 1150 CB CYS A 116 22.628 12.374 21.701 1.00 14.17 C ATOM 1151 SG CYS A 116 20.892 12.479 21.197 1.00 14.27 S ATOM 1152 H CYS A 116 22.968 9.641 21.083 1.00 0.00 H ATOM 1153 N GLN A 117 25.326 10.542 22.056 1.00 16.23 N ATOM 1154 CA GLN A 117 26.611 10.386 22.734 1.00 18.20 C ATOM 1155 C GLN A 117 27.709 10.055 21.716 1.00 20.42 C ATOM 1156 O GLN A 117 27.559 9.131 20.915 1.00 20.59 O ATOM 1157 CB GLN A 117 26.510 9.243 23.763 1.00 19.87 C ATOM 1158 CG GLN A 117 27.733 9.178 24.709 1.00 23.21 C ATOM 1159 CD GLN A 117 27.715 8.047 25.743 1.00 24.24 C ATOM 1160 OE1 GLN A 117 28.505 8.076 26.685 1.00 33.47 O ATOM 1161 NE2 GLN A 117 26.825 7.063 25.607 1.00 37.16 N ATOM 1162 H GLN A 117 24.616 9.850 22.253 1.00 0.00 H ATOM 1163 HE22 GLN A 117 26.809 6.309 26.277 1.00 0.00 H ATOM 1164 HE21 GLN A 117 26.203 7.055 24.811 1.00 0.00 H ATOM 1165 N ASN A 118 28.799 10.838 21.754 1.00 23.71 N ATOM 1166 CA ASN A 118 29.998 10.717 20.915 1.00 28.55 C ATOM 1167 C ASN A 118 29.756 11.143 19.452 1.00 27.64 C ATOM 1168 O ASN A 118 30.562 10.823 18.579 1.00 33.21 O ATOM 1169 CB ASN A 118 30.708 9.341 21.048 1.00 34.02 C ATOM 1170 CG ASN A 118 31.107 8.989 22.486 1.00 36.99 C ATOM 1171 OD1 ASN A 118 31.715 9.797 23.185 1.00 41.09 O ATOM 1172 ND2 ASN A 118 30.735 7.793 22.947 1.00 45.69 N ATOM 1173 H ASN A 118 28.812 11.580 22.439 1.00 0.00 H ATOM 1174 HD22 ASN A 118 30.972 7.528 23.892 1.00 0.00 H ATOM 1175 HD21 ASN A 118 30.224 7.157 22.352 1.00 0.00 H ATOM 1176 N ARG A 119 28.647 11.854 19.189 1.00 26.95 N ATOM 1177 CA ARG A 119 28.271 12.405 17.892 1.00 29.41 C ATOM 1178 C ARG A 119 28.339 13.935 17.931 1.00 27.46 C ATOM 1179 O ARG A 119 28.266 14.551 18.996 1.00 28.03 O ATOM 1180 CB ARG A 119 26.818 12.009 17.560 1.00 27.29 C ATOM 1181 CG ARG A 119 26.577 10.496 17.471 1.00 29.07 C ATOM 1182 CD ARG A 119 25.329 10.192 16.636 1.00 33.27 C ATOM 1183 NE ARG A 119 24.863 8.809 16.821 1.00 34.40 N ATOM 1184 CZ ARG A 119 24.467 7.968 15.848 1.00 33.71 C ATOM 1185 NH1 ARG A 119 24.505 8.315 14.554 1.00 39.46 N ATOM 1186 NH2 ARG A 119 24.018 6.752 16.177 1.00 32.31 N1+ ATOM 1187 H ARG A 119 28.037 12.076 19.964 1.00 0.00 H ATOM 1188 HE ARG A 119 24.797 8.495 17.779 1.00 0.00 H ATOM 1189 HH12 ARG A 119 24.209 7.669 13.837 1.00 0.00 H ATOM 1190 HH11 ARG A 119 24.840 9.229 14.289 1.00 0.00 H ATOM 1191 HH22 ARG A 119 23.736 6.096 15.464 1.00 0.00 H ATOM 1192 HH21 ARG A 119 23.925 6.489 17.153 1.00 0.00 H ATOM 1193 N ASP A 120 28.403 14.537 16.734 1.00 30.41 N ATOM 1194 CA ASP A 120 28.220 15.966 16.511 1.00 27.35 C ATOM 1195 C ASP A 120 26.710 16.273 16.596 1.00 25.50 C ATOM 1196 O ASP A 120 25.927 15.773 15.786 1.00 30.21 O ATOM 1197 CB ASP A 120 28.798 16.305 15.112 1.00 31.42 C ATOM 1198 CG ASP A 120 28.833 17.796 14.754 1.00 38.14 C ATOM 1199 OD1 ASP A 120 28.423 18.621 15.599 1.00 41.12 O ATOM 1200 OD2 ASP A 120 29.309 18.096 13.637 1.00 34.42 O1- ATOM 1201 H ASP A 120 28.456 13.955 15.912 1.00 0.00 H ATOM 1202 N VAL A 121 26.323 17.077 17.598 1.00 22.52 N ATOM 1203 CA VAL A 121 24.940 17.432 17.933 1.00 21.13 C ATOM 1204 C VAL A 121 24.663 18.939 17.754 1.00 22.32 C ATOM 1205 O VAL A 121 23.568 19.393 18.080 1.00 18.74 O ATOM 1206 CB VAL A 121 24.573 16.913 19.355 1.00 22.58 C ATOM 1207 CG1 VAL A 121 24.535 15.375 19.424 1.00 30.69 C ATOM 1208 CG2 VAL A 121 25.470 17.477 20.473 1.00 25.84 C ATOM 1209 H VAL A 121 27.042 17.431 18.212 1.00 0.00 H ATOM 1210 N ARG A 122 25.613 19.718 17.202 1.00 27.46 N ATOM 1211 CA ARG A 122 25.456 21.138 16.844 1.00 27.65 C ATOM 1212 C ARG A 122 24.279 21.429 15.893 1.00 24.97 C ATOM 1213 O ARG A 122 23.698 22.512 15.968 1.00 25.46 O ATOM 1214 CB ARG A 122 26.808 21.680 16.315 1.00 29.85 C ATOM 1215 CG ARG A 122 26.774 22.762 15.207 1.00 34.26 C ATOM 1216 CD ARG A 122 28.151 23.353 14.880 1.00 33.83 C ATOM 1217 NE ARG A 122 29.115 22.297 14.543 1.00 37.37 N ATOM 1218 CZ ARG A 122 29.994 21.737 15.393 1.00 37.41 C ATOM 1219 NH1 ARG A 122 30.124 22.162 16.659 1.00 44.26 N ATOM 1220 NH2 ARG A 122 30.750 20.717 14.972 1.00 43.88 N1+ ATOM 1221 H ARG A 122 26.485 19.278 16.937 1.00 0.00 H ATOM 1222 HE ARG A 122 29.046 21.916 13.610 1.00 0.00 H ATOM 1223 HH12 ARG A 122 30.781 21.719 17.285 1.00 0.00 H ATOM 1224 HH11 ARG A 122 29.559 22.929 16.992 1.00 0.00 H ATOM 1225 HH22 ARG A 122 31.401 20.268 15.598 1.00 0.00 H ATOM 1226 HH21 ARG A 122 30.585 20.301 14.064 1.00 0.00 H ATOM 1227 N GLN A 123 23.929 20.465 15.022 1.00 26.01 N ATOM 1228 CA GLN A 123 22.850 20.542 14.036 1.00 28.19 C ATOM 1229 C GLN A 123 21.465 20.899 14.611 1.00 24.96 C ATOM 1230 O GLN A 123 20.659 21.515 13.914 1.00 26.43 O ATOM 1231 CB GLN A 123 22.788 19.240 13.211 1.00 33.36 C ATOM 1232 CG GLN A 123 22.478 17.958 14.022 1.00 45.52 C ATOM 1233 CD GLN A 123 22.227 16.703 13.179 1.00 48.33 C ATOM 1234 OE1 GLN A 123 22.331 15.595 13.698 1.00 50.12 O ATOM 1235 NE2 GLN A 123 21.916 16.840 11.887 1.00 61.45 N ATOM 1236 H GLN A 123 24.467 19.611 15.039 1.00 0.00 H ATOM 1237 HE22 GLN A 123 21.762 16.016 11.324 1.00 0.00 H ATOM 1238 HE21 GLN A 123 21.848 17.759 11.475 1.00 0.00 H ATOM 1239 N TYR A 124 21.193 20.524 15.872 1.00 21.23 N ATOM 1240 CA TYR A 124 19.890 20.680 16.515 1.00 20.57 C ATOM 1241 C TYR A 124 19.658 22.098 17.081 1.00 17.27 C ATOM 1242 O TYR A 124 18.515 22.418 17.405 1.00 19.70 O ATOM 1243 CB TYR A 124 19.779 19.656 17.663 1.00 20.32 C ATOM 1244 CG TYR A 124 19.868 18.204 17.223 1.00 17.15 C ATOM 1245 CD1 TYR A 124 18.836 17.627 16.454 1.00 23.75 C ATOM 1246 CD2 TYR A 124 20.991 17.427 17.565 1.00 19.77 C ATOM 1247 CE1 TYR A 124 18.945 16.295 16.009 1.00 24.75 C ATOM 1248 CE2 TYR A 124 21.117 16.108 17.096 1.00 21.05 C ATOM 1249 CZ TYR A 124 20.092 15.539 16.319 1.00 20.92 C ATOM 1250 OH TYR A 124 20.219 14.259 15.865 1.00 25.52 O ATOM 1251 H TYR A 124 21.911 20.038 16.393 1.00 0.00 H ATOM 1252 HH TYR A 124 21.089 13.914 16.002 1.00 0.00 H ATOM 1253 N VAL A 125 20.695 22.955 17.146 1.00 19.87 N ATOM 1254 CA VAL A 125 20.643 24.327 17.673 1.00 19.04 C ATOM 1255 C VAL A 125 21.132 25.394 16.677 1.00 21.10 C ATOM 1256 O VAL A 125 21.022 26.581 16.988 1.00 21.37 O ATOM 1257 CB VAL A 125 21.379 24.429 19.037 1.00 21.60 C ATOM 1258 CG1 VAL A 125 20.612 23.725 20.164 1.00 23.75 C ATOM 1259 CG2 VAL A 125 22.844 23.954 18.978 1.00 24.99 C ATOM 1260 H VAL A 125 21.600 22.619 16.845 1.00 0.00 H ATOM 1261 N GLN A 126 21.659 25.011 15.498 1.00 23.38 N ATOM 1262 CA GLN A 126 22.195 25.951 14.508 1.00 29.06 C ATOM 1263 C GLN A 126 21.098 26.850 13.904 1.00 27.13 C ATOM 1264 O GLN A 126 20.025 26.378 13.526 1.00 27.14 O ATOM 1265 CB GLN A 126 22.987 25.196 13.417 1.00 31.28 C ATOM 1266 CG GLN A 126 22.197 24.233 12.495 1.00 33.72 C ATOM 1267 CD GLN A 126 22.525 24.354 11.003 1.00 47.22 C ATOM 1268 OE1 GLN A 126 22.740 23.344 10.338 1.00 45.69 O ATOM 1269 NE2 GLN A 126 22.578 25.575 10.464 1.00 49.55 N ATOM 1270 H GLN A 126 21.736 24.024 15.296 1.00 0.00 H ATOM 1271 HE22 GLN A 126 22.799 25.674 9.484 1.00 0.00 H ATOM 1272 HE21 GLN A 126 22.395 26.390 11.030 1.00 0.00 H ATOM 1273 N GLY A 127 21.379 28.161 13.847 1.00 25.06 N ATOM 1274 CA GLY A 127 20.494 29.193 13.313 1.00 25.33 C ATOM 1275 C GLY A 127 19.320 29.600 14.218 1.00 23.89 C ATOM 1276 O GLY A 127 18.467 30.361 13.766 1.00 25.63 O ATOM 1277 H GLY A 127 22.276 28.468 14.194 1.00 0.00 H ATOM 1278 N CYS A 128 19.252 29.102 15.466 1.00 20.90 N ATOM 1279 CA CYS A 128 18.122 29.323 16.375 1.00 20.37 C ATOM 1280 C CYS A 128 18.290 30.542 17.301 1.00 21.95 C ATOM 1281 O CYS A 128 17.338 30.892 18.002 1.00 24.45 O ATOM 1282 CB CYS A 128 17.940 28.070 17.252 1.00 18.95 C ATOM 1283 SG CYS A 128 17.562 26.536 16.359 1.00 17.57 S ATOM 1284 H CYS A 128 19.979 28.471 15.774 1.00 0.00 H ATOM 1285 N GLY A 129 19.461 31.203 17.293 1.00 27.29 N ATOM 1286 CA GLY A 129 19.742 32.407 18.079 1.00 29.29 C ATOM 1287 C GLY A 129 20.014 32.139 19.566 1.00 28.62 C ATOM 1288 O GLY A 129 19.757 33.011 20.396 1.00 38.50 O ATOM 1289 H GLY A 129 20.192 30.869 16.682 1.00 0.00 H ATOM 1290 N VAL A 130 20.500 30.932 19.893 1.00 24.90 N ATOM 1291 CA VAL A 130 20.799 30.448 21.241 1.00 25.27 C ATOM 1292 C VAL A 130 22.315 30.271 21.438 1.00 33.46 C ATOM 1293 O VAL A 130 22.700 30.030 22.601 1.00 31.44 O ATOM 1294 CB VAL A 130 20.038 29.118 21.484 1.00 25.35 C ATOM 1295 CG1 VAL A 130 18.515 29.329 21.471 1.00 27.59 C ATOM 1296 CG2 VAL A 130 20.442 27.983 20.520 1.00 26.59 C ATOM 1297 OXT VAL A 130 23.066 30.368 20.441 1.00 47.97 O1- ATOM 1298 H VAL A 130 20.711 30.295 19.140 1.00 0.00 H CONECT 68 1283 CONECT 306 1151 CONECT 669 804 CONECT 768 919 CONECT 804 669 CONECT 919 768 CONECT 1151 306 CONECT 1283 68 ENDMDL END If you find results from this site helpful for your research, please cite one of our papers:
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