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*** A42T ***elNémo ID: 2503190658173509602Job options:ID = 2503190658173509602 JOBID = A42T 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 A42T 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 19.721 22.051 1.00 17.06 N1+ ATOM 2 CA LYS A 1 1.936 20.628 21.162 1.00 18.25 C ATOM 3 C LYS A 1 3.141 19.903 20.562 1.00 16.14 C ATOM 4 O LYS A 1 3.922 19.310 21.302 1.00 16.16 O ATOM 5 CB LYS A 1 2.383 21.881 21.949 1.00 24.42 C ATOM 6 CG LYS A 1 3.276 22.871 21.181 1.00 26.69 C ATOM 7 CD LYS A 1 3.594 24.123 22.005 1.00 23.93 C ATOM 8 CE LYS A 1 4.495 25.094 21.235 1.00 26.10 C ATOM 9 NZ LYS A 1 4.814 26.286 22.035 1.00 38.54 N1+ ATOM 10 H1 LYS A 1 0.467 20.236 22.544 1.00 0.00 H ATOM 11 H2 LYS A 1 0.779 18.970 21.516 1.00 0.00 H ATOM 12 H3 LYS A 1 1.829 19.335 22.736 1.00 0.00 H ATOM 13 HZ1 LYS A 1 5.376 26.902 21.454 1.00 0.00 H ATOM 14 HZ2 LYS A 1 3.964 26.760 22.302 1.00 0.00 H ATOM 15 HZ3 LYS A 1 5.337 26.019 22.856 1.00 0.00 H ATOM 16 N VAL A 2 3.329 20.029 19.239 1.00 15.22 N ATOM 17 CA VAL A 2 4.580 19.715 18.553 1.00 14.66 C ATOM 18 C VAL A 2 5.290 21.060 18.359 1.00 14.54 C ATOM 19 O VAL A 2 4.786 21.936 17.655 1.00 17.31 O ATOM 20 CB VAL A 2 4.295 19.044 17.181 1.00 18.09 C ATOM 21 CG1 VAL A 2 5.596 18.705 16.422 1.00 20.30 C ATOM 22 CG2 VAL A 2 3.456 17.763 17.335 1.00 21.91 C ATOM 23 H VAL A 2 2.640 20.535 18.702 1.00 0.00 H ATOM 24 N PHE A 3 6.463 21.211 18.990 1.00 13.22 N ATOM 25 CA PHE A 3 7.312 22.389 18.855 1.00 12.29 C ATOM 26 C PHE A 3 8.093 22.315 17.537 1.00 13.94 C ATOM 27 O PHE A 3 8.515 21.241 17.104 1.00 16.04 O ATOM 28 CB PHE A 3 8.362 22.416 19.984 1.00 13.14 C ATOM 29 CG PHE A 3 7.905 22.936 21.330 1.00 12.43 C ATOM 30 CD1 PHE A 3 7.151 22.119 22.196 1.00 14.74 C ATOM 31 CD2 PHE A 3 8.281 24.232 21.740 1.00 14.77 C ATOM 32 CE1 PHE A 3 6.779 22.600 23.465 1.00 16.85 C ATOM 33 CE2 PHE A 3 7.912 24.709 23.011 1.00 16.48 C ATOM 34 CZ PHE A 3 7.161 23.891 23.876 1.00 16.12 C ATOM 35 H PHE A 3 6.815 20.444 19.548 1.00 0.00 H ATOM 36 N GLU A 4 8.361 23.495 16.965 1.00 14.86 N ATOM 37 CA GLU A 4 9.381 23.699 15.942 1.00 16.55 C ATOM 38 C GLU A 4 10.756 23.703 16.637 1.00 14.12 C ATOM 39 O GLU A 4 10.858 24.061 17.812 1.00 14.27 O ATOM 40 CB GLU A 4 9.121 25.057 15.261 1.00 21.19 C ATOM 41 CG GLU A 4 7.795 25.071 14.473 1.00 34.01 C ATOM 42 CD GLU A 4 7.492 26.437 13.860 1.00 39.62 C ATOM 43 OE1 GLU A 4 8.290 26.864 12.997 1.00 49.70 O ATOM 44 OE2 GLU A 4 6.465 27.027 14.259 1.00 48.74 O1- ATOM 45 H GLU A 4 7.962 24.327 17.385 1.00 0.00 H ATOM 46 N ARG A 5 11.806 23.263 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 24.095 18.374 1.00 12.11 O ATOM 50 CB ARG A 5 14.076 22.625 15.257 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 23.003 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 22.983 14.969 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 15.151 1.00 0.00 H ATOM 61 HH22 ARG A 5 18.319 25.558 12.514 1.00 0.00 H ATOM 62 HH21 ARG A 5 16.893 24.877 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 14.328 26.641 17.208 1.00 12.42 C ATOM 65 C CYS A 6 13.388 27.350 18.193 1.00 11.86 C ATOM 66 O CYS A 6 13.870 28.123 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 27.040 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 12.077 27.047 18.163 1.00 12.12 N ATOM 71 CA GLU A 7 11.115 27.459 19.184 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 27.381 21.553 1.00 12.80 O ATOM 74 CB GLU A 7 9.682 27.156 18.692 1.00 16.60 C ATOM 75 CG GLU A 7 8.556 27.543 19.679 1.00 18.77 C ATOM 76 CD GLU A 7 7.191 26.936 19.346 1.00 21.58 C ATOM 77 OE1 GLU A 7 7.145 25.924 18.612 1.00 21.23 O ATOM 78 OE2 GLU A 7 6.204 27.483 19.883 1.00 26.51 O1- ATOM 79 H GLU A 7 11.756 26.384 17.471 1.00 0.00 H ATOM 80 N LEU A 8 11.667 25.411 20.453 1.00 11.84 N ATOM 81 CA LEU A 8 12.025 24.586 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 23.091 21.216 1.00 11.53 C ATOM 85 CG LEU A 8 12.275 22.099 22.376 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 20.660 21.857 1.00 16.83 C ATOM 88 H LEU A 8 11.616 24.951 19.553 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 25.178 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 17.570 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 12.957 28.102 24.175 1.00 11.61 N ATOM 113 CA THR A 11 12.100 27.820 25.335 1.00 11.60 C ATOM 114 C THR A 11 12.907 27.119 26.442 1.00 11.46 C ATOM 115 O THR A 11 12.797 27.509 27.602 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 27.690 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 23.338 1.00 0.00 H ATOM 120 HG1 THR A 11 10.546 27.770 23.193 1.00 0.00 H ATOM 121 N LEU A 12 13.749 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 23.059 25.903 1.00 12.75 C ATOM 127 CD1 LEU A 12 15.068 22.010 25.063 1.00 17.07 C ATOM 128 CD2 LEU A 12 13.666 22.397 27.121 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 27.293 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 29.612 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 30.003 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 25.797 1.00 0.00 H ATOM 140 HZ1 LYS A 13 22.550 30.506 24.287 1.00 0.00 H ATOM 141 HZ2 LYS A 13 23.286 31.255 25.566 1.00 0.00 H ATOM 142 HZ3 LYS A 13 22.852 29.669 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 25.202 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 31.007 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 16.397 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 16.363 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 21.769 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 26.753 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 25.161 23.475 33.003 1.00 15.26 O ATOM 208 H GLY A 19 23.517 23.579 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 23.118 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 19.074 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 26.128 18.342 34.072 1.00 14.35 O ATOM 227 CB ARG A 21 23.681 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 38.526 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 38.276 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 39.692 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 37.723 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 25.869 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 17.380 30.980 1.00 12.80 C ATOM 251 CG2 ILE A 23 22.668 18.068 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 24.904 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 26.105 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 24.954 1.00 12.23 C ATOM 264 C LEU A 25 21.203 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 19.774 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 22.392 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 21.563 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 23.167 22.121 23.306 1.00 0.00 H ATOM 281 N ASN A 27 22.558 18.867 23.399 1.00 11.30 N ATOM 282 CA ASN A 27 22.317 17.516 23.918 1.00 11.72 C ATOM 283 C ASN A 27 20.893 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 23.327 17.198 25.045 1.00 11.67 C ATOM 286 CG ASN A 27 24.685 16.762 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 25.719 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 25.586 18.485 25.108 1.00 0.00 H ATOM 292 N TRP A 28 20.268 18.405 25.004 1.00 10.26 N ATOM 293 CA TRP A 28 18.861 18.413 25.420 1.00 10.77 C ATOM 294 C TRP A 28 17.908 18.410 24.216 1.00 11.26 C ATOM 295 O TRP A 28 16.848 17.787 24.274 1.00 11.17 O ATOM 296 CB TRP A 28 18.566 19.681 26.244 1.00 10.49 C ATOM 297 CG TRP A 28 19.088 19.689 27.645 1.00 10.02 C ATOM 298 CD1 TRP A 28 19.979 20.570 28.150 1.00 12.17 C ATOM 299 CD2 TRP A 28 18.721 18.811 28.752 1.00 10.69 C ATOM 300 NE1 TRP A 28 20.180 20.307 29.487 1.00 12.53 N ATOM 301 CE2 TRP A 28 19.411 19.250 29.922 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 17.070 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 20.780 19.273 25.076 1.00 0.00 H ATOM 307 HE1 TRP A 28 20.795 20.873 30.057 1.00 0.00 H ATOM 308 N MET A 29 18.303 19.083 23.123 1.00 10.67 N ATOM 309 CA MET A 29 17.569 19.142 21.867 1.00 10.61 C ATOM 310 C MET A 29 17.695 17.832 21.074 1.00 11.13 C ATOM 311 O MET A 29 16.729 17.436 20.426 1.00 11.94 O ATOM 312 CB MET A 29 18.134 20.297 21.016 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 15.808 21.914 21.205 1.00 14.40 S ATOM 315 CE MET A 29 15.603 21.607 19.435 1.00 17.16 C ATOM 316 H MET A 29 19.173 19.597 23.172 1.00 0.00 H ATOM 317 N CYS A 30 18.842 17.135 21.162 1.00 11.31 N ATOM 318 CA CYS A 30 19.039 15.806 20.583 1.00 11.47 C ATOM 319 C CYS A 30 18.192 14.756 21.326 1.00 12.45 C ATOM 320 O CYS A 30 17.548 13.936 20.674 1.00 12.88 O ATOM 321 CB CYS A 30 20.534 15.434 20.628 1.00 12.22 C ATOM 322 SG CYS A 30 20.943 13.899 19.749 1.00 13.65 S ATOM 323 H CYS A 30 19.605 17.529 21.696 1.00 0.00 H ATOM 324 N LEU A 31 18.138 14.822 22.671 1.00 11.57 N ATOM 325 CA LEU A 31 17.287 13.987 23.524 1.00 12.27 C ATOM 326 C LEU A 31 15.801 14.127 23.154 1.00 11.08 C ATOM 327 O LEU A 31 15.152 13.123 22.874 1.00 12.30 O ATOM 328 CB LEU A 31 17.544 14.324 25.014 1.00 13.03 C ATOM 329 CG LEU A 31 16.636 13.595 26.036 1.00 12.69 C ATOM 330 CD1 LEU A 31 16.905 12.086 26.078 1.00 15.53 C ATOM 331 CD2 LEU A 31 16.767 14.209 27.436 1.00 16.22 C ATOM 332 H LEU A 31 18.700 15.523 23.136 1.00 0.00 H ATOM 333 N ALA A 32 15.282 15.366 23.113 1.00 11.51 N ATOM 334 CA ALA A 32 13.884 15.680 22.815 1.00 11.12 C ATOM 335 C ALA A 32 13.447 15.285 21.394 1.00 11.09 C ATOM 336 O ALA A 32 12.285 14.929 21.198 1.00 13.12 O ATOM 337 CB ALA A 32 13.666 17.187 23.015 1.00 12.81 C ATOM 338 H ALA A 32 15.887 16.142 23.349 1.00 0.00 H ATOM 339 N LYS A 33 14.375 15.307 20.419 1.00 10.96 N ATOM 340 CA LYS A 33 14.121 14.939 19.027 1.00 12.88 C ATOM 341 C LYS A 33 13.913 13.427 18.872 1.00 12.92 C ATOM 342 O LYS A 33 13.012 13.015 18.145 1.00 14.54 O ATOM 343 CB LYS A 33 15.316 15.383 18.148 1.00 14.78 C ATOM 344 CG LYS A 33 15.015 15.353 16.636 1.00 24.35 C ATOM 345 CD LYS A 33 15.458 14.064 15.916 1.00 31.88 C ATOM 346 CE LYS A 33 14.631 13.765 14.658 1.00 43.51 C ATOM 347 NZ LYS A 33 14.749 14.839 13.657 1.00 44.62 N1+ ATOM 348 H LYS A 33 15.312 15.602 20.658 1.00 0.00 H ATOM 349 HZ1 LYS A 33 14.419 15.706 14.055 1.00 0.00 H ATOM 350 HZ2 LYS A 33 15.716 14.939 13.385 1.00 0.00 H ATOM 351 HZ3 LYS A 33 14.193 14.607 12.846 1.00 0.00 H ATOM 352 N TRP A 34 14.747 12.608 19.530 1.00 12.70 N ATOM 353 CA TRP A 34 14.749 11.156 19.362 1.00 13.46 C ATOM 354 C TRP A 34 13.863 10.417 20.371 1.00 13.18 C ATOM 355 O TRP A 34 13.549 9.251 20.133 1.00 18.23 O ATOM 356 CB TRP A 34 16.201 10.656 19.454 1.00 14.44 C ATOM 357 CG TRP A 34 17.001 11.034 18.244 1.00 13.70 C ATOM 358 CD1 TRP A 34 18.056 11.878 18.216 1.00 14.63 C ATOM 359 CD2 TRP A 34 16.778 10.630 16.858 1.00 16.12 C ATOM 360 NE1 TRP A 34 18.479 12.048 16.916 1.00 17.71 N ATOM 361 CE2 TRP A 34 17.725 11.307 16.032 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 11.155 14.636 1.00 23.07 C ATOM 364 CZ3 TRP A 34 15.874 9.608 14.810 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 15.465 13.014 20.115 1.00 0.00 H ATOM 367 HE1 TRP A 34 19.229 12.681 16.665 1.00 0.00 H ATOM 368 N GLU A 35 13.410 11.085 21.444 1.00 12.38 N ATOM 369 CA GLU A 35 12.437 10.536 22.383 1.00 13.11 C ATOM 370 C GLU A 35 11.000 10.794 21.893 1.00 13.40 C ATOM 371 O GLU A 35 10.163 9.905 22.032 1.00 14.31 O ATOM 372 CB GLU A 35 12.617 11.221 23.760 1.00 13.51 C ATOM 373 CG GLU A 35 13.859 10.750 24.553 1.00 13.78 C ATOM 374 CD GLU A 35 13.841 9.295 25.039 1.00 15.30 C ATOM 375 OE1 GLU A 35 12.843 8.584 24.792 1.00 17.48 O ATOM 376 OE2 GLU A 35 14.857 8.906 25.653 1.00 19.70 O1- ATOM 377 H GLU A 35 13.739 12.028 21.606 1.00 0.00 H ATOM 378 N SER A 36 10.707 11.973 21.313 1.00 13.52 N ATOM 379 CA SER A 36 9.337 12.416 21.029 1.00 13.25 C ATOM 380 C SER A 36 9.097 13.036 19.647 1.00 13.07 C ATOM 381 O SER A 36 7.939 13.156 19.244 1.00 15.89 O ATOM 382 CB SER A 36 8.864 13.350 22.154 1.00 13.02 C ATOM 383 OG SER A 36 9.476 14.620 22.055 1.00 13.33 O ATOM 384 H SER A 36 11.448 12.650 21.205 1.00 0.00 H ATOM 385 HG SER A 36 10.389 14.535 22.292 1.00 0.00 H ATOM 386 N GLY A 37 10.148 13.500 18.954 1.00 14.49 N ATOM 387 CA GLY A 37 10.016 14.344 17.765 1.00 14.62 C ATOM 388 C GLY A 37 9.558 15.777 18.083 1.00 12.70 C ATOM 389 O GLY A 37 8.986 16.431 17.213 1.00 16.12 O ATOM 390 H GLY A 37 11.080 13.349 19.315 1.00 0.00 H ATOM 391 N TYR A 38 9.768 16.234 19.333 1.00 12.50 N ATOM 392 CA TYR A 38 9.428 17.551 19.886 1.00 12.41 C ATOM 393 C TYR A 38 7.963 17.672 20.349 1.00 12.36 C ATOM 394 O TYR A 38 7.478 18.782 20.567 1.00 15.84 O ATOM 395 CB TYR A 38 9.887 18.729 18.993 1.00 13.48 C ATOM 396 CG TYR A 38 11.328 18.722 18.511 1.00 12.71 C ATOM 397 CD1 TYR A 38 12.384 18.423 19.395 1.00 13.92 C ATOM 398 CD2 TYR A 38 11.616 19.058 17.171 1.00 15.27 C ATOM 399 CE1 TYR A 38 13.716 18.483 18.950 1.00 14.18 C ATOM 400 CE2 TYR A 38 12.950 19.099 16.721 1.00 16.12 C ATOM 401 CZ TYR A 38 14.002 18.815 17.612 1.00 14.45 C ATOM 402 OH TYR A 38 15.295 18.862 17.180 1.00 16.66 O ATOM 403 H TYR A 38 10.216 15.596 19.976 1.00 0.00 H ATOM 404 HH TYR A 38 15.913 18.631 17.857 1.00 0.00 H ATOM 405 N ASN A 39 7.255 16.539 20.482 1.00 13.71 N ATOM 406 CA ASN A 39 5.837 16.454 20.815 1.00 13.00 C ATOM 407 C ASN A 39 5.686 16.263 22.332 1.00 12.31 C ATOM 408 O ASN A 39 6.222 15.316 22.900 1.00 13.82 O ATOM 409 CB ASN A 39 5.281 15.218 20.071 1.00 14.34 C ATOM 410 CG ASN A 39 3.750 15.078 20.081 1.00 15.85 C ATOM 411 OD1 ASN A 39 3.030 15.898 20.648 1.00 15.88 O ATOM 412 ND2 ASN A 39 3.240 14.032 19.429 1.00 20.01 N ATOM 413 H ASN A 39 7.736 15.666 20.314 1.00 0.00 H ATOM 414 HD22 ASN A 39 2.240 13.904 19.396 1.00 0.00 H ATOM 415 HD21 ASN A 39 3.853 13.379 18.963 1.00 0.00 H ATOM 416 N THR A 40 4.906 17.141 22.980 1.00 11.81 N ATOM 417 CA THR A 40 4.572 17.056 24.404 1.00 12.68 C ATOM 418 C THR A 40 3.474 16.015 24.696 1.00 12.56 C ATOM 419 O THR A 40 3.304 15.646 25.853 1.00 15.38 O ATOM 420 CB THR A 40 4.098 18.441 24.915 1.00 13.66 C ATOM 421 OG1 THR A 40 2.846 18.840 24.382 1.00 14.74 O ATOM 422 CG2 THR A 40 5.111 19.570 24.702 1.00 15.36 C ATOM 423 H THR A 40 4.495 17.902 22.454 1.00 0.00 H ATOM 424 HG1 THR A 40 2.476 19.485 24.969 1.00 0.00 H ATOM 425 N ARG A 41 2.730 15.548 23.679 1.00 13.38 N ATOM 426 CA ARG A 41 1.584 14.657 23.844 1.00 16.46 C ATOM 427 C ARG A 41 1.978 13.167 23.716 1.00 15.27 C ATOM 428 O ARG A 41 1.132 12.307 23.962 1.00 19.49 O ATOM 429 CB AARG A 41 0.555 15.000 22.741 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 -0.887 14.610 23.119 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 -1.858 14.565 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 -2.531 13.259 21.873 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 -3.625 12.903 22.568 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 -4.278 13.778 23.347 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 -4.065 11.641 22.489 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 2.933 15.877 22.744 1.00 0.00 H ATOM 444 HE AARG A 41 -2.068 12.554 21.317 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 -5.095 13.495 23.868 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 -3.952 14.731 23.417 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 -4.881 11.350 23.007 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 -3.582 10.966 21.914 0.50 0.00 H ATOM 453 HH21BARG A 41 1.960 9.429 21.013 0.50 0.00 H ATOM 454 N THR A 42 3.233 12.839 23.348 1.00 15.38 N ATOM 455 CA THR A 42 3.737 11.463 23.225 1.00 15.24 C ATOM 456 C THR A 42 3.636 10.662 24.527 1.00 14.57 C ATOM 457 O THR A 42 4.000 11.135 25.604 1.00 14.15 O ATOM 458 CB THR A 42 5.192 11.423 22.704 1.00 0.00 C ATOM 459 OG1 THR A 42 5.985 12.380 23.369 1.00 0.00 O ATOM 460 CG2 THR A 42 5.292 11.577 21.188 1.00 0.00 C ATOM 461 HG1 THR A 42 5.979 12.195 24.296 1.00 0.00 H ATOM 462 H THR A 42 3.897 13.582 23.182 1.00 0.00 H ATOM 463 N THR A 43 3.178 9.417 24.362 1.00 16.63 N ATOM 464 CA THR A 43 3.108 8.370 25.364 1.00 16.63 C ATOM 465 C THR A 43 3.600 7.064 24.734 1.00 17.66 C ATOM 466 O THR A 43 3.277 6.767 23.583 1.00 23.52 O ATOM 467 CB THR A 43 1.701 8.274 26.004 1.00 21.44 C ATOM 468 OG1 THR A 43 0.717 7.946 25.040 1.00 28.38 O ATOM 469 CG2 THR A 43 1.270 9.530 26.773 1.00 24.72 C ATOM 470 H THR A 43 2.905 9.139 23.430 1.00 0.00 H ATOM 471 HG1 THR A 43 0.967 7.137 24.618 1.00 0.00 H ATOM 472 N ASN A 44 4.358 6.283 25.511 1.00 17.38 N ATOM 473 CA ASN A 44 4.855 4.962 25.151 1.00 17.36 C ATOM 474 C ASN A 44 4.645 4.059 26.365 1.00 16.77 C ATOM 475 O ASN A 44 5.332 4.222 27.371 1.00 16.39 O ATOM 476 CB ASN A 44 6.327 5.070 24.691 1.00 21.27 C ATOM 477 CG ASN A 44 6.947 3.718 24.325 1.00 33.34 C ATOM 478 OD1 ASN A 44 6.498 3.059 23.390 1.00 40.32 O ATOM 479 ND2 ASN A 44 7.951 3.286 25.092 1.00 43.32 N ATOM 480 H ASN A 44 4.598 6.618 26.435 1.00 0.00 H ATOM 481 HD22 ASN A 44 8.370 2.385 24.912 1.00 0.00 H ATOM 482 HD21 ASN A 44 8.275 3.842 25.876 1.00 0.00 H ATOM 483 N TYR A 45 3.719 3.096 26.249 1.00 20.06 N ATOM 484 CA TYR A 45 3.498 2.060 27.250 1.00 19.26 C ATOM 485 C TYR A 45 4.511 0.932 27.016 1.00 18.33 C ATOM 486 O TYR A 45 4.601 0.377 25.920 1.00 21.79 O ATOM 487 CB TYR A 45 2.071 1.490 27.099 1.00 21.83 C ATOM 488 CG TYR A 45 1.724 0.395 28.098 1.00 20.44 C ATOM 489 CD1 TYR A 45 1.805 0.653 29.482 1.00 22.19 C ATOM 490 CD2 TYR A 45 1.346 -0.890 27.656 1.00 22.96 C ATOM 491 CE1 TYR A 45 1.507 -0.351 30.419 1.00 21.20 C ATOM 492 CE2 TYR A 45 1.044 -1.898 28.593 1.00 22.77 C ATOM 493 CZ TYR A 45 1.124 -1.629 29.973 1.00 22.00 C ATOM 494 OH TYR A 45 0.832 -2.605 30.879 1.00 25.95 O ATOM 495 H TYR A 45 3.206 3.020 25.383 1.00 0.00 H ATOM 496 HH TYR A 45 0.870 -2.300 31.772 1.00 0.00 H ATOM 497 N ASN A 46 5.248 0.598 28.079 1.00 17.53 N ATOM 498 CA ASN A 46 6.200 -0.501 28.141 1.00 18.07 C ATOM 499 C ASN A 46 5.454 -1.668 28.799 1.00 16.83 C ATOM 500 O ASN A 46 5.265 -1.691 30.014 1.00 18.09 O ATOM 501 CB ASN A 46 7.398 -0.072 29.022 1.00 19.02 C ATOM 502 CG ASN A 46 8.133 1.146 28.453 1.00 21.80 C ATOM 503 OD1 ASN A 46 8.723 1.068 27.377 1.00 27.14 O ATOM 504 ND2 ASN A 46 8.065 2.282 29.149 1.00 24.42 N ATOM 505 H ASN A 46 5.093 1.103 28.943 1.00 0.00 H ATOM 506 HD22 ASN A 46 8.501 3.119 28.776 1.00 0.00 H ATOM 507 HD21 ASN A 46 7.574 2.309 30.031 1.00 0.00 H ATOM 508 N ALA A 47 4.998 -2.624 27.974 1.00 19.59 N ATOM 509 CA ALA A 47 4.174 -3.762 28.387 1.00 23.80 C ATOM 510 C ALA A 47 4.933 -4.805 29.225 1.00 22.64 C ATOM 511 O ALA A 47 4.301 -5.558 29.965 1.00 24.61 O ATOM 512 CB ALA A 47 3.628 -4.442 27.121 1.00 27.76 C ATOM 513 H ALA A 47 5.174 -2.519 26.985 1.00 0.00 H ATOM 514 N GLY A 48 6.274 -4.830 29.134 1.00 19.99 N ATOM 515 CA GLY A 48 7.141 -5.767 29.842 1.00 22.07 C ATOM 516 C GLY A 48 7.292 -5.490 31.343 1.00 19.81 C ATOM 517 O GLY A 48 7.542 -6.431 32.095 1.00 24.08 O ATOM 518 H GLY A 48 6.718 -4.168 28.515 1.00 0.00 H ATOM 519 N ASP A 49 7.114 -4.231 31.783 1.00 18.77 N ATOM 520 CA ASP A 49 7.278 -3.803 33.176 1.00 20.35 C ATOM 521 C ASP A 49 6.074 -2.993 33.694 1.00 17.80 C ATOM 522 O ASP A 49 5.993 -2.754 34.896 1.00 21.18 O ATOM 523 CB ASP A 49 8.663 -3.128 33.372 1.00 20.26 C ATOM 524 CG ASP A 49 8.841 -1.708 32.810 1.00 24.33 C ATOM 525 OD1 ASP A 49 7.970 -1.252 32.039 1.00 19.65 O ATOM 526 OD2 ASP A 49 9.837 -1.071 33.217 1.00 32.10 O1- ATOM 527 H ASP A 49 6.920 -3.510 31.102 1.00 0.00 H ATOM 528 N ARG A 50 5.147 -2.580 32.813 1.00 19.86 N ATOM 529 CA ARG A 50 3.879 -1.901 33.106 1.00 19.68 C ATOM 530 C ARG A 50 4.018 -0.393 33.387 1.00 18.06 C ATOM 531 O ARG A 50 3.067 0.227 33.863 1.00 22.50 O ATOM 532 CB ARG A 50 2.991 -2.663 34.121 1.00 26.39 C ATOM 533 CG ARG A 50 2.645 -4.092 33.668 1.00 33.44 C ATOM 534 CD ARG A 50 1.818 -4.863 34.707 1.00 35.73 C ATOM 535 NE ARG A 50 2.628 -5.902 35.357 1.00 39.51 N ATOM 536 CZ ARG A 50 2.174 -7.046 35.896 1.00 35.58 C ATOM 537 NH1 ARG A 50 0.867 -7.348 35.904 1.00 54.84 N ATOM 538 NH2 ARG A 50 3.047 -7.903 36.438 1.00 33.65 N1+ ATOM 539 H ARG A 50 5.321 -2.775 31.837 1.00 0.00 H ATOM 540 HE ARG A 50 3.618 -5.708 35.413 1.00 0.00 H ATOM 541 HH12 ARG A 50 0.539 -8.212 36.312 1.00 0.00 H ATOM 542 HH11 ARG A 50 0.200 -6.708 35.499 1.00 0.00 H ATOM 543 HH22 ARG A 50 2.728 -8.769 36.849 1.00 0.00 H ATOM 544 HH21 ARG A 50 4.036 -7.697 36.435 1.00 0.00 H ATOM 545 N SER A 51 5.184 0.200 33.077 1.00 16.75 N ATOM 546 CA SER A 51 5.425 1.640 33.141 1.00 15.62 C ATOM 547 C SER A 51 5.040 2.308 31.810 1.00 15.04 C ATOM 548 O SER A 51 4.920 1.649 30.777 1.00 16.06 O ATOM 549 CB SER A 51 6.920 1.885 33.446 1.00 14.40 C ATOM 550 OG SER A 51 7.786 1.554 32.376 1.00 15.71 O ATOM 551 H SER A 51 5.913 -0.371 32.670 1.00 0.00 H ATOM 552 HG SER A 51 7.813 0.608 32.274 1.00 0.00 H ATOM 553 N THR A 52 4.861 3.635 31.852 1.00 13.80 N ATOM 554 CA THR A 52 4.587 4.490 30.704 1.00 11.94 C ATOM 555 C THR A 52 5.592 5.649 30.728 1.00 12.46 C ATOM 556 O THR A 52 5.825 6.253 31.774 1.00 13.36 O ATOM 557 CB THR A 52 3.116 4.975 30.738 1.00 13.80 C ATOM 558 OG1 THR A 52 2.233 3.877 30.714 1.00 15.81 O ATOM 559 CG2 THR A 52 2.728 5.875 29.549 1.00 13.89 C ATOM 560 H THR A 52 4.966 4.106 32.743 1.00 0.00 H ATOM 561 HG1 THR A 52 2.427 3.333 31.463 1.00 0.00 H ATOM 562 N ASP A 53 6.158 5.970 29.561 1.00 12.43 N ATOM 563 CA ASP A 53 7.004 7.139 29.324 1.00 12.59 C ATOM 564 C ASP A 53 6.110 8.276 28.820 1.00 12.09 C ATOM 565 O ASP A 53 5.294 8.058 27.927 1.00 13.31 O ATOM 566 CB ASP A 53 8.028 6.810 28.222 1.00 14.50 C ATOM 567 CG ASP A 53 8.904 5.596 28.531 1.00 17.20 C ATOM 568 OD1 ASP A 53 9.474 5.569 29.644 1.00 20.85 O ATOM 569 OD2 ASP A 53 8.970 4.701 27.660 1.00 22.38 O1- ATOM 570 H ASP A 53 5.926 5.409 28.750 1.00 0.00 H ATOM 571 N TYR A 54 6.248 9.471 29.413 1.00 12.07 N ATOM 572 CA TYR A 54 5.373 10.623 29.198 1.00 11.10 C ATOM 573 C TYR A 54 6.156 11.849 28.727 1.00 11.14 C ATOM 574 O TYR A 54 7.206 12.180 29.281 1.00 11.73 O ATOM 575 CB TYR A 54 4.665 10.969 30.519 1.00 13.10 C ATOM 576 CG TYR A 54 3.595 9.989 30.947 1.00 11.22 C ATOM 577 CD1 TYR A 54 3.909 8.926 31.815 1.00 13.36 C ATOM 578 CD2 TYR A 54 2.267 10.165 30.509 1.00 13.72 C ATOM 579 CE1 TYR A 54 2.888 8.067 32.263 1.00 12.26 C ATOM 580 CE2 TYR A 54 1.252 9.290 30.940 1.00 13.52 C ATOM 581 CZ TYR A 54 1.564 8.241 31.824 1.00 12.36 C ATOM 582 OH TYR A 54 0.591 7.389 32.256 1.00 13.90 O ATOM 583 H TYR A 54 6.944 9.560 30.142 1.00 0.00 H ATOM 584 HH TYR A 54 0.920 6.759 32.888 1.00 0.00 H ATOM 585 N GLY A 55 5.576 12.574 27.762 1.00 12.01 N ATOM 586 CA GLY A 55 5.984 13.918 27.383 1.00 11.22 C ATOM 587 C GLY A 55 7.133 13.990 26.383 1.00 11.31 C ATOM 588 O GLY A 55 7.559 12.983 25.818 1.00 11.64 O ATOM 589 H GLY A 55 4.733 12.216 27.334 1.00 0.00 H ATOM 590 N ILE A 56 7.618 15.225 26.181 1.00 11.13 N ATOM 591 CA ILE A 56 8.666 15.616 25.236 1.00 11.06 C ATOM 592 C ILE A 56 10.043 14.975 25.515 1.00 10.21 C ATOM 593 O ILE A 56 10.845 14.832 24.593 1.00 12.58 O ATOM 594 CB ILE A 56 8.723 17.170 25.193 1.00 12.23 C ATOM 595 CG1 ILE A 56 9.483 17.696 23.957 1.00 12.28 C ATOM 596 CG2 ILE A 56 9.256 17.804 26.497 1.00 13.92 C ATOM 597 CD1 ILE A 56 9.156 19.155 23.609 1.00 18.90 C ATOM 598 H ILE A 56 7.190 15.976 26.703 1.00 0.00 H ATOM 599 N PHE A 57 10.306 14.567 26.766 1.00 10.80 N ATOM 600 CA PHE A 57 11.536 13.893 27.180 1.00 11.58 C ATOM 601 C PHE A 57 11.320 12.397 27.457 1.00 12.60 C ATOM 602 O PHE A 57 12.310 11.701 27.669 1.00 14.93 O ATOM 603 CB PHE A 57 12.064 14.577 28.459 1.00 13.21 C ATOM 604 CG PHE A 57 12.537 16.008 28.264 1.00 13.29 C ATOM 605 CD1 PHE A 57 13.540 16.302 27.315 1.00 15.83 C ATOM 606 CD2 PHE A 57 11.984 17.049 29.040 1.00 17.07 C ATOM 607 CE1 PHE A 57 13.988 17.625 27.144 1.00 21.11 C ATOM 608 CE2 PHE A 57 12.434 18.373 28.871 1.00 22.69 C ATOM 609 CZ PHE A 57 13.438 18.659 27.926 1.00 22.40 C ATOM 610 H PHE A 57 9.602 14.721 27.473 1.00 0.00 H ATOM 611 N GLN A 58 10.068 11.894 27.463 1.00 11.15 N ATOM 612 CA GLN A 58 9.695 10.484 27.668 1.00 11.59 C ATOM 613 C GLN A 58 10.133 9.976 29.053 1.00 12.28 C ATOM 614 O GLN A 58 10.835 8.973 29.181 1.00 16.38 O ATOM 615 CB GLN A 58 10.179 9.598 26.495 1.00 12.66 C ATOM 616 CG GLN A 58 9.386 9.807 25.194 1.00 12.90 C ATOM 617 CD GLN A 58 7.964 9.247 25.258 1.00 13.93 C ATOM 618 OE1 GLN A 58 7.752 8.053 25.072 1.00 15.93 O ATOM 619 NE2 GLN A 58 6.980 10.111 25.506 1.00 13.81 N ATOM 620 H GLN A 58 9.310 12.529 27.257 1.00 0.00 H ATOM 621 HE22 GLN A 58 6.029 9.781 25.574 1.00 0.00 H ATOM 622 HE21 GLN A 58 7.198 11.089 25.653 1.00 0.00 H ATOM 623 N ILE A 59 9.736 10.725 30.089 1.00 11.14 N ATOM 624 CA ILE A 59 10.059 10.495 31.492 1.00 12.69 C ATOM 625 C ILE A 59 9.144 9.377 32.025 1.00 11.92 C ATOM 626 O ILE A 59 7.919 9.460 31.921 1.00 12.81 O ATOM 627 CB ILE A 59 9.859 11.847 32.231 1.00 12.88 C ATOM 628 CG1 ILE A 59 10.981 12.843 31.843 1.00 16.58 C ATOM 629 CG2 ILE A 59 9.778 11.714 33.761 1.00 15.82 C ATOM 630 CD1 ILE A 59 10.693 14.308 32.202 1.00 20.06 C ATOM 631 H ILE A 59 9.144 11.519 29.885 1.00 0.00 H ATOM 632 N ASN A 60 9.775 8.328 32.574 1.00 13.13 N ATOM 633 CA ASN A 60 9.158 7.066 32.974 1.00 12.23 C ATOM 634 C ASN A 60 8.451 7.186 34.336 1.00 12.37 C ATOM 635 O ASN A 60 8.945 7.825 35.266 1.00 15.10 O ATOM 636 CB ASN A 60 10.286 6.014 33.063 1.00 14.92 C ATOM 637 CG ASN A 60 9.745 4.587 33.149 1.00 15.27 C ATOM 638 OD1 ASN A 60 9.645 4.027 34.237 1.00 18.11 O ATOM 639 ND2 ASN A 60 9.391 4.000 32.007 1.00 18.70 N ATOM 640 H ASN A 60 10.783 8.365 32.616 1.00 0.00 H ATOM 641 HD22 ASN A 60 9.011 3.061 32.023 1.00 0.00 H ATOM 642 HD21 ASN A 60 9.479 4.504 31.127 1.00 0.00 H ATOM 643 N SER A 61 7.289 6.527 34.433 1.00 12.35 N ATOM 644 CA SER A 61 6.363 6.569 35.560 1.00 12.09 C ATOM 645 C SER A 61 6.662 5.572 36.697 1.00 13.49 C ATOM 646 O SER A 61 5.924 5.567 37.682 1.00 15.29 O ATOM 647 CB SER A 61 4.960 6.311 34.988 1.00 14.79 C ATOM 648 OG SER A 61 4.820 5.011 34.453 1.00 13.83 O ATOM 649 H SER A 61 6.959 6.034 33.613 1.00 0.00 H ATOM 650 HG SER A 61 4.621 4.411 35.161 1.00 0.00 H ATOM 651 N ARG A 62 7.727 4.755 36.607 1.00 15.46 N ATOM 652 CA ARG A 62 8.186 3.939 37.736 1.00 16.61 C ATOM 653 C ARG A 62 9.106 4.747 38.667 1.00 16.86 C ATOM 654 O ARG A 62 9.147 4.462 39.861 1.00 26.96 O ATOM 655 CB ARG A 62 8.953 2.698 37.223 1.00 19.91 C ATOM 656 CG ARG A 62 9.531 1.818 38.354 1.00 26.96 C ATOM 657 CD ARG A 62 9.829 0.382 37.926 1.00 41.99 C ATOM 658 NE ARG A 62 8.618 -0.439 38.063 1.00 38.78 N ATOM 659 CZ ARG A 62 7.872 -0.928 37.062 1.00 40.02 C ATOM 660 NH1 ARG A 62 8.191 -0.719 35.782 1.00 45.48 N ATOM 661 NH2 ARG A 62 6.777 -1.637 37.346 1.00 51.32 N1+ ATOM 662 H ARG A 62 8.290 4.766 35.767 1.00 0.00 H ATOM 663 HE ARG A 62 8.303 -0.602 39.009 1.00 0.00 H ATOM 664 HH12 ARG A 62 7.615 -1.107 35.047 1.00 0.00 H ATOM 665 HH11 ARG A 62 9.033 -0.221 35.528 1.00 0.00 H ATOM 666 HH22 ARG A 62 6.237 -2.052 36.595 1.00 0.00 H ATOM 667 HH21 ARG A 62 6.469 -1.731 38.304 1.00 0.00 H ATOM 668 N TYR A 63 9.855 5.727 38.143 1.00 17.34 N ATOM 669 CA TYR A 63 10.933 6.381 38.882 1.00 17.97 C ATOM 670 C TYR A 63 10.663 7.865 39.144 1.00 16.02 C ATOM 671 O TYR A 63 11.139 8.375 40.156 1.00 19.73 O ATOM 672 CB TYR A 63 12.245 6.198 38.096 1.00 25.58 C ATOM 673 CG TYR A 63 12.655 4.745 37.928 1.00 28.37 C ATOM 674 CD1 TYR A 63 13.063 3.989 39.047 1.00 32.48 C ATOM 675 CD2 TYR A 63 12.589 4.133 36.658 1.00 34.89 C ATOM 676 CE1 TYR A 63 13.392 2.628 38.900 1.00 37.71 C ATOM 677 CE2 TYR A 63 12.920 2.772 36.511 1.00 35.23 C ATOM 678 CZ TYR A 63 13.318 2.018 37.632 1.00 35.13 C ATOM 679 OH TYR A 63 13.625 0.696 37.494 1.00 45.56 O ATOM 680 H TYR A 63 9.768 5.928 37.157 1.00 0.00 H ATOM 681 HH TYR A 63 13.572 0.394 36.600 1.00 0.00 H ATOM 682 N TRP A 64 9.932 8.560 38.255 1.00 13.82 N ATOM 683 CA TRP A 64 9.965 10.021 38.161 1.00 13.15 C ATOM 684 C TRP A 64 8.607 10.680 38.406 1.00 11.80 C ATOM 685 O TRP A 64 8.522 11.549 39.271 1.00 15.36 O ATOM 686 CB TRP A 64 10.583 10.417 36.810 1.00 13.45 C ATOM 687 CG TRP A 64 11.958 9.866 36.583 1.00 14.00 C ATOM 688 CD1 TRP A 64 12.312 8.976 35.628 1.00 16.69 C ATOM 689 CD2 TRP A 64 13.161 10.114 37.369 1.00 15.23 C ATOM 690 NE1 TRP A 64 13.640 8.633 35.790 1.00 17.44 N ATOM 691 CE2 TRP A 64 14.209 9.287 36.864 1.00 15.85 C ATOM 692 CE3 TRP A 64 13.472 10.955 38.462 1.00 16.08 C ATOM 693 CZ2 TRP A 64 15.493 9.273 37.437 1.00 17.87 C ATOM 694 CZ3 TRP A 64 14.753 10.947 39.048 1.00 17.34 C ATOM 695 CH2 TRP A 64 15.759 10.105 38.539 1.00 18.86 C ATOM 696 H TRP A 64 9.533 8.063 37.470 1.00 0.00 H ATOM 697 HE1 TRP A 64 14.110 7.971 35.188 1.00 0.00 H ATOM 698 N CYS A 65 7.551 10.261 37.695 1.00 14.31 N ATOM 699 CA CYS A 65 6.187 10.771 37.858 1.00 12.60 C ATOM 700 C CYS A 65 5.259 9.641 38.326 1.00 14.32 C ATOM 701 O CYS A 65 5.586 8.467 38.170 1.00 14.95 O ATOM 702 CB CYS A 65 5.727 11.440 36.544 1.00 13.50 C ATOM 703 SG CYS A 65 5.481 10.368 35.094 1.00 14.34 S ATOM 704 H CYS A 65 7.687 9.526 37.016 1.00 0.00 H ATOM 705 N ASN A 66 4.096 9.995 38.893 1.00 13.49 N ATOM 706 CA ASN A 66 3.055 9.050 39.300 1.00 12.07 C ATOM 707 C ASN A 66 1.872 9.158 38.327 1.00 13.15 C ATOM 708 O ASN A 66 1.324 10.241 38.128 1.00 12.75 O ATOM 709 CB ASN A 66 2.595 9.425 40.727 1.00 15.96 C ATOM 710 CG ASN A 66 1.588 8.437 41.326 1.00 19.44 C ATOM 711 OD1 ASN A 66 1.805 7.228 41.298 1.00 21.93 O ATOM 712 ND2 ASN A 66 0.461 8.945 41.828 1.00 22.57 N ATOM 713 H ASN A 66 3.902 10.980 39.018 1.00 0.00 H ATOM 714 HD22 ASN A 66 -0.232 8.325 42.220 1.00 0.00 H ATOM 715 HD21 ASN A 66 0.305 9.942 41.819 1.00 0.00 H ATOM 716 N ASP A 67 1.453 8.010 37.772 1.00 12.42 N ATOM 717 CA ASP A 67 0.209 7.843 37.013 1.00 13.42 C ATOM 718 C ASP A 67 -0.785 6.943 37.779 1.00 13.40 C ATOM 719 O ASP A 67 -1.899 6.730 37.301 1.00 16.86 O ATOM 720 CB ASP A 67 0.516 7.306 35.589 1.00 12.34 C ATOM 721 CG ASP A 67 1.124 5.901 35.446 1.00 13.28 C ATOM 722 OD1 ASP A 67 1.402 5.243 36.474 1.00 14.28 O ATOM 723 OD2 ASP A 67 1.285 5.499 34.272 1.00 14.87 O1- ATOM 724 H ASP A 67 1.988 7.171 37.945 1.00 0.00 H ATOM 725 N GLY A 68 -0.392 6.426 38.957 1.00 13.31 N ATOM 726 CA GLY A 68 -1.201 5.613 39.860 1.00 14.71 C ATOM 727 C GLY A 68 -1.399 4.147 39.446 1.00 17.90 C ATOM 728 O GLY A 68 -1.989 3.398 40.223 1.00 27.90 O ATOM 729 H GLY A 68 0.540 6.650 39.274 1.00 0.00 H ATOM 730 N LYS A 69 -0.919 3.734 38.258 1.00 18.83 N ATOM 731 CA LYS A 69 -1.137 2.405 37.681 1.00 17.60 C ATOM 732 C LYS A 69 0.159 1.615 37.437 1.00 18.43 C ATOM 733 O LYS A 69 0.079 0.474 36.983 1.00 23.74 O ATOM 734 CB LYS A 69 -2.010 2.508 36.407 1.00 20.00 C ATOM 735 CG LYS A 69 -1.362 3.233 35.207 1.00 19.72 C ATOM 736 CD LYS A 69 -2.068 2.910 33.879 1.00 28.11 C ATOM 737 CE LYS A 69 -1.339 3.455 32.640 1.00 40.33 C ATOM 738 NZ LYS A 69 -1.502 4.911 32.503 1.00 48.89 N1+ ATOM 739 H LYS A 69 -0.425 4.407 37.687 1.00 0.00 H ATOM 740 HZ1 LYS A 69 -1.028 5.229 31.669 1.00 0.00 H ATOM 741 HZ2 LYS A 69 -2.483 5.145 32.447 1.00 0.00 H ATOM 742 HZ3 LYS A 69 -1.089 5.365 33.306 1.00 0.00 H ATOM 743 N THR A 70 1.336 2.194 37.730 1.00 17.05 N ATOM 744 CA THR A 70 2.635 1.543 37.554 1.00 18.01 C ATOM 745 C THR A 70 3.052 0.925 38.908 1.00 19.16 C ATOM 746 O THR A 70 3.188 1.672 39.879 1.00 22.32 O ATOM 747 CB THR A 70 3.679 2.606 37.137 1.00 17.38 C ATOM 748 OG1 THR A 70 3.277 3.139 35.895 1.00 16.08 O ATOM 749 CG2 THR A 70 5.087 2.022 36.919 1.00 18.56 C ATOM 750 H THR A 70 1.333 3.136 38.094 1.00 0.00 H ATOM 751 HG1 THR A 70 2.501 3.672 36.028 1.00 0.00 H ATOM 752 N PRO A 71 3.275 -0.411 38.995 1.00 20.91 N ATOM 753 CA PRO A 71 3.800 -1.088 40.196 1.00 23.96 C ATOM 754 C PRO A 71 5.180 -0.550 40.621 1.00 23.90 C ATOM 755 O PRO A 71 6.028 -0.290 39.769 1.00 25.80 O ATOM 756 CB PRO A 71 3.945 -2.571 39.805 1.00 25.33 C ATOM 757 CG PRO A 71 3.099 -2.764 38.560 1.00 29.02 C ATOM 758 CD PRO A 71 2.940 -1.377 37.947 1.00 23.02 C ATOM 759 N GLY A 72 5.414 -0.412 41.935 1.00 31.25 N ATOM 760 CA GLY A 72 6.701 -0.000 42.500 1.00 31.98 C ATOM 761 C GLY A 72 7.119 1.443 42.178 1.00 28.73 C ATOM 762 O GLY A 72 8.316 1.716 42.095 1.00 39.18 O ATOM 763 H GLY A 72 4.676 -0.641 42.585 1.00 0.00 H ATOM 764 N ALA A 73 6.143 2.345 41.962 1.00 25.80 N ATOM 765 CA ALA A 73 6.348 3.752 41.616 1.00 26.10 C ATOM 766 C ALA A 73 6.975 4.540 42.780 1.00 24.83 C ATOM 767 O ALA A 73 6.521 4.432 43.919 1.00 28.55 O ATOM 768 CB ALA A 73 4.999 4.380 41.235 1.00 30.47 C ATOM 769 H ALA A 73 5.186 2.030 42.032 1.00 0.00 H ATOM 770 N VAL A 74 8.023 5.321 42.476 1.00 25.08 N ATOM 771 CA VAL A 74 8.808 6.102 43.435 1.00 27.99 C ATOM 772 C VAL A 74 8.326 7.565 43.456 1.00 23.91 C ATOM 773 O VAL A 74 8.188 8.131 44.539 1.00 27.27 O ATOM 774 CB VAL A 74 10.308 6.030 43.024 1.00 26.11 C ATOM 775 CG1 VAL A 74 11.236 6.915 43.882 1.00 30.20 C ATOM 776 CG2 VAL A 74 10.829 4.579 43.047 1.00 34.73 C ATOM 777 H VAL A 74 8.351 5.310 41.519 1.00 0.00 H ATOM 778 N ASN A 75 8.095 8.174 42.275 1.00 22.30 N ATOM 779 CA ASN A 75 7.639 9.556 42.069 1.00 17.58 C ATOM 780 C ASN A 75 8.679 10.570 42.596 1.00 16.17 C ATOM 781 O ASN A 75 8.370 11.398 43.454 1.00 16.46 O ATOM 782 CB ASN A 75 6.209 9.762 42.642 1.00 17.90 C ATOM 783 CG ASN A 75 5.538 11.072 42.201 1.00 18.28 C ATOM 784 OD1 ASN A 75 5.942 11.695 41.223 1.00 18.76 O ATOM 785 ND2 ASN A 75 4.523 11.514 42.947 1.00 19.69 N ATOM 786 H ASN A 75 8.239 7.625 41.441 1.00 0.00 H ATOM 787 HD22 ASN A 75 4.059 12.374 42.695 1.00 0.00 H ATOM 788 HD21 ASN A 75 4.226 10.992 43.758 1.00 0.00 H ATOM 789 N ALA A 76 9.923 10.485 42.098 1.00 15.78 N ATOM 790 CA ALA A 76 11.056 11.288 42.562 1.00 15.84 C ATOM 791 C ALA A 76 10.990 12.776 42.159 1.00 16.60 C ATOM 792 O ALA A 76 11.644 13.591 42.809 1.00 18.71 O ATOM 793 CB ALA A 76 12.346 10.677 42.001 1.00 19.70 C ATOM 794 H ALA A 76 10.117 9.773 41.406 1.00 0.00 H ATOM 795 N CYS A 77 10.191 13.144 41.139 1.00 15.43 N ATOM 796 CA CYS A 77 9.927 14.537 40.761 1.00 15.15 C ATOM 797 C CYS A 77 8.734 15.125 41.533 1.00 15.94 C ATOM 798 O CYS A 77 8.595 16.347 41.569 1.00 16.72 O ATOM 799 CB CYS A 77 9.576 14.616 39.262 1.00 15.14 C ATOM 800 SG CYS A 77 10.930 14.122 38.168 1.00 14.34 S ATOM 801 H CYS A 77 9.685 12.424 40.638 1.00 0.00 H ATOM 802 N HIS A 78 7.877 14.275 42.130 1.00 15.99 N ATOM 803 CA HIS A 78 6.708 14.636 42.940 1.00 16.71 C ATOM 804 C HIS A 78 5.605 15.305 42.099 1.00 17.72 C ATOM 805 O HIS A 78 4.947 16.244 42.548 1.00 18.21 O ATOM 806 CB HIS A 78 7.090 15.382 44.239 1.00 25.66 C ATOM 807 CG HIS A 78 7.910 14.538 45.184 1.00 30.49 C ATOM 808 ND1 HIS A 78 9.276 14.355 45.050 1.00 33.57 N ATOM 809 CD2 HIS A 78 7.538 13.759 46.259 1.00 31.11 C ATOM 810 CE1 HIS A 78 9.657 13.507 46.009 1.00 32.40 C ATOM 811 NE2 HIS A 78 8.657 13.107 46.783 1.00 35.66 N ATOM 812 H HIS A 78 8.073 13.286 42.053 1.00 0.00 H ATOM 813 HD1 HIS A 78 9.869 14.757 44.338 1.00 0.00 H ATOM 814 N LEU A 79 5.444 14.821 40.858 1.00 15.10 N ATOM 815 CA LEU A 79 4.465 15.260 39.872 1.00 16.14 C ATOM 816 C LEU A 79 3.501 14.121 39.541 1.00 14.36 C ATOM 817 O LEU A 79 3.871 12.946 39.555 1.00 16.77 O ATOM 818 CB LEU A 79 5.190 15.628 38.556 1.00 20.57 C ATOM 819 CG LEU A 79 5.960 16.959 38.552 1.00 27.66 C ATOM 820 CD1 LEU A 79 6.742 17.083 37.239 1.00 29.20 C ATOM 821 CD2 LEU A 79 5.037 18.177 38.727 1.00 32.17 C ATOM 822 H LEU A 79 6.024 14.038 40.592 1.00 0.00 H ATOM 823 N SER A 80 2.292 14.500 39.107 1.00 12.78 N ATOM 824 CA SER A 80 1.430 13.656 38.289 1.00 13.23 C ATOM 825 C SER A 80 2.027 13.607 36.870 1.00 12.09 C ATOM 826 O SER A 80 2.484 14.631 36.361 1.00 12.94 O ATOM 827 CB SER A 80 0.023 14.287 38.241 1.00 14.70 C ATOM 828 OG SER A 80 -0.865 13.513 37.456 1.00 14.92 O ATOM 829 H SER A 80 2.075 15.486 39.122 1.00 0.00 H ATOM 830 HG SER A 80 -0.994 12.679 37.883 1.00 0.00 H ATOM 831 N CYS A 81 2.000 12.434 36.218 1.00 12.15 N ATOM 832 CA CYS A 81 2.479 12.252 34.843 1.00 11.82 C ATOM 833 C CYS A 81 1.658 13.031 33.794 1.00 11.57 C ATOM 834 O CYS A 81 2.148 13.253 32.687 1.00 13.13 O ATOM 835 CB CYS A 81 2.457 10.762 34.471 1.00 13.14 C ATOM 836 SG CYS A 81 3.592 9.641 35.338 1.00 13.20 S ATOM 837 H CYS A 81 1.634 11.622 36.698 1.00 0.00 H ATOM 838 N SER A 82 0.440 13.482 34.149 1.00 12.73 N ATOM 839 CA SER A 82 -0.408 14.368 33.351 1.00 13.54 C ATOM 840 C SER A 82 0.167 15.794 33.202 1.00 11.95 C ATOM 841 O SER A 82 -0.170 16.475 32.233 1.00 13.03 O ATOM 842 CB ASER A 82 -1.821 14.406 33.979 0.60 17.55 C ATOM 843 CB BSER A 82 -1.700 14.550 34.238 0.40 15.56 C ATOM 844 OG ASER A 82 -1.884 15.136 35.192 0.60 18.83 O ATOM 845 OG BSER A 82 -2.531 15.491 33.556 0.40 19.98 O ATOM 846 H SER A 82 0.114 13.257 35.079 1.00 0.00 H ATOM 847 HG ASER A 82 -1.440 14.646 35.872 0.60 0.00 H ATOM 848 HG BSER A 82 -3.355 15.598 34.036 0.40 0.00 H ATOM 849 N ALA A 83 1.065 16.224 34.110 1.00 12.11 N ATOM 850 CA ALA A 83 1.777 17.503 34.049 1.00 12.56 C ATOM 851 C ALA A 83 2.854 17.523 32.948 1.00 13.55 C ATOM 852 O ALA A 83 3.252 18.598 32.502 1.00 15.23 O ATOM 853 CB ALA A 83 2.467 17.755 35.401 1.00 15.16 C ATOM 854 H ALA A 83 1.305 15.604 34.872 1.00 0.00 H ATOM 855 N LEU A 84 3.293 16.340 32.489 1.00 12.54 N ATOM 856 CA LEU A 84 4.256 16.149 31.407 1.00 12.71 C ATOM 857 C LEU A 84 3.560 16.063 30.031 1.00 13.40 C ATOM 858 O LEU A 84 4.253 15.994 29.018 1.00 16.08 O ATOM 859 CB LEU A 84 5.007 14.821 31.653 1.00 14.18 C ATOM 860 CG LEU A 84 5.674 14.685 33.042 1.00 17.81 C ATOM 861 CD1 LEU A 84 6.264 13.283 33.200 1.00 20.67 C ATOM 862 CD2 LEU A 84 6.757 15.744 33.278 1.00 21.32 C ATOM 863 H LEU A 84 2.905 15.504 32.902 1.00 0.00 H ATOM 864 N LEU A 85 2.214 16.094 29.983 1.00 12.93 N ATOM 865 CA LEU A 85 1.402 16.079 28.763 1.00 13.54 C ATOM 866 C LEU A 85 0.795 17.457 28.433 1.00 13.88 C ATOM 867 O LEU A 85 -0.010 17.561 27.507 1.00 16.87 O ATOM 868 CB LEU A 85 0.292 15.012 28.894 1.00 13.39 C ATOM 869 CG LEU A 85 0.794 13.555 29.015 1.00 13.51 C ATOM 870 CD1 LEU A 85 -0.404 12.605 29.172 1.00 18.29 C ATOM 871 CD2 LEU A 85 1.670 13.129 27.821 1.00 16.82 C ATOM 872 H LEU A 85 1.714 16.157 30.859 1.00 0.00 H ATOM 873 N GLN A 86 1.211 18.520 29.143 1.00 14.21 N ATOM 874 CA GLN A 86 0.835 19.911 28.885 1.00 14.01 C ATOM 875 C GLN A 86 1.653 20.477 27.709 1.00 14.22 C ATOM 876 O GLN A 86 2.788 20.057 27.480 1.00 16.42 O ATOM 877 CB GLN A 86 1.201 20.753 30.125 1.00 15.40 C ATOM 878 CG GLN A 86 0.405 20.409 31.393 1.00 18.36 C ATOM 879 CD GLN A 86 0.755 21.377 32.525 1.00 22.98 C ATOM 880 OE1 GLN A 86 0.189 22.464 32.612 1.00 25.88 O ATOM 881 NE2 GLN A 86 1.688 20.984 33.392 1.00 27.04 N ATOM 882 H GLN A 86 1.890 18.360 29.872 1.00 0.00 H ATOM 883 HE22 GLN A 86 1.965 21.580 34.163 1.00 0.00 H ATOM 884 HE21 GLN A 86 2.164 20.103 33.253 1.00 0.00 H ATOM 885 N ASP A 87 1.099 21.479 27.004 1.00 13.89 N ATOM 886 CA ASP A 87 1.798 22.252 25.965 1.00 14.61 C ATOM 887 C ASP A 87 2.905 23.150 26.549 1.00 16.13 C ATOM 888 O ASP A 87 3.906 23.395 25.874 1.00 20.65 O ATOM 889 CB ASP A 87 0.801 23.144 25.185 1.00 15.52 C ATOM 890 CG ASP A 87 -0.276 22.396 24.390 1.00 15.85 C ATOM 891 OD1 ASP A 87 -0.115 21.174 24.171 1.00 18.46 O ATOM 892 OD2 ASP A 87 -1.226 23.083 23.960 1.00 18.72 O1- ATOM 893 H ASP A 87 0.155 21.759 27.229 1.00 0.00 H ATOM 894 N ASN A 88 2.745 23.595 27.809 1.00 15.81 N ATOM 895 CA ASN A 88 3.758 24.285 28.602 1.00 17.79 C ATOM 896 C ASN A 88 4.644 23.202 29.242 1.00 16.08 C ATOM 897 O ASN A 88 4.145 22.321 29.942 1.00 19.07 O ATOM 898 CB ASN A 88 3.029 25.086 29.710 1.00 20.11 C ATOM 899 CG ASN A 88 3.944 26.095 30.413 1.00 22.92 C ATOM 900 OD1 ASN A 88 4.850 25.711 31.147 1.00 26.75 O ATOM 901 ND2 ASN A 88 3.724 27.390 30.179 1.00 44.22 N ATOM 902 H ASN A 88 1.897 23.332 28.288 1.00 0.00 H ATOM 903 HD22 ASN A 88 4.310 28.081 30.624 1.00 0.00 H ATOM 904 HD21 ASN A 88 2.969 27.677 29.573 1.00 0.00 H ATOM 905 N ILE A 89 5.959 23.277 28.991 1.00 12.57 N ATOM 906 CA ILE A 89 6.935 22.253 29.370 1.00 12.70 C ATOM 907 C ILE A 89 7.727 22.622 30.641 1.00 11.43 C ATOM 908 O ILE A 89 8.754 22.000 30.896 1.00 12.56 O ATOM 909 CB ILE A 89 7.880 21.971 28.163 1.00 12.99 C ATOM 910 CG1 ILE A 89 8.765 23.172 27.738 1.00 14.29 C ATOM 911 CG2 ILE A 89 7.081 21.402 26.975 1.00 16.72 C ATOM 912 CD1 ILE A 89 9.888 22.780 26.768 1.00 17.23 C ATOM 913 H ILE A 89 6.294 24.039 28.420 1.00 0.00 H ATOM 914 N ALA A 90 7.272 23.597 31.453 1.00 12.52 N ATOM 915 CA ALA A 90 7.948 24.041 32.679 1.00 11.88 C ATOM 916 C ALA A 90 8.095 22.936 33.743 1.00 12.16 C ATOM 917 O ALA A 90 9.166 22.818 34.337 1.00 12.58 O ATOM 918 CB ALA A 90 7.202 25.245 33.271 1.00 16.43 C ATOM 919 H ALA A 90 6.414 24.070 31.200 1.00 0.00 H ATOM 920 N ASP A 91 7.058 22.099 33.936 1.00 12.34 N ATOM 921 CA ASP A 91 7.078 20.947 34.849 1.00 13.06 C ATOM 922 C ASP A 91 7.867 19.759 34.271 1.00 13.27 C ATOM 923 O ASP A 91 8.475 19.014 35.040 1.00 14.41 O ATOM 924 CB ASP A 91 5.635 20.468 35.150 1.00 16.70 C ATOM 925 CG ASP A 91 4.772 21.484 35.907 1.00 21.64 C ATOM 926 OD1 ASP A 91 5.347 22.270 36.692 1.00 25.67 O ATOM 927 OD2 ASP A 91 3.539 21.438 35.707 1.00 30.98 O1- ATOM 928 H ASP A 91 6.208 22.263 33.416 1.00 0.00 H ATOM 929 N ALA A 92 7.907 19.604 32.935 1.00 12.68 N ATOM 930 CA ALA A 92 8.700 18.582 32.249 1.00 12.92 C ATOM 931 C ALA A 92 10.202 18.892 32.296 1.00 11.99 C ATOM 932 O ALA A 92 11.001 17.970 32.446 1.00 13.19 O ATOM 933 CB ALA A 92 8.241 18.479 30.785 1.00 14.28 C ATOM 934 H ALA A 92 7.397 20.261 32.363 1.00 0.00 H ATOM 935 N VAL A 93 10.576 20.180 32.230 1.00 11.60 N ATOM 936 CA VAL A 93 11.938 20.678 32.399 1.00 11.58 C ATOM 937 C VAL A 93 12.384 20.586 33.870 1.00 10.95 C ATOM 938 O VAL A 93 13.528 20.213 34.112 1.00 12.78 O ATOM 939 CB VAL A 93 12.020 22.129 31.846 1.00 12.54 C ATOM 940 CG1 VAL A 93 13.262 22.907 32.316 1.00 15.10 C ATOM 941 CG2 VAL A 93 11.982 22.114 30.306 1.00 14.14 C ATOM 942 H VAL A 93 9.853 20.872 32.077 1.00 0.00 H ATOM 943 N ALA A 94 11.498 20.864 34.844 1.00 11.32 N ATOM 944 CA ALA A 94 11.787 20.762 36.279 1.00 14.03 C ATOM 945 C ALA A 94 12.049 19.313 36.728 1.00 11.77 C ATOM 946 O ALA A 94 12.895 19.085 37.594 1.00 13.70 O ATOM 947 CB ALA A 94 10.602 21.335 37.070 1.00 15.14 C ATOM 948 H ALA A 94 10.574 21.176 34.578 1.00 0.00 H ATOM 949 N CYS A 95 11.364 18.339 36.105 1.00 11.92 N ATOM 950 CA CYS A 95 11.549 16.913 36.353 1.00 11.46 C ATOM 951 C CYS A 95 12.728 16.342 35.548 1.00 10.97 C ATOM 952 O CYS A 95 13.412 15.460 36.057 1.00 12.53 O ATOM 953 CB CYS A 95 10.249 16.185 35.978 1.00 12.67 C ATOM 954 SG CYS A 95 10.185 14.395 36.289 1.00 13.56 S ATOM 955 H CYS A 95 10.675 18.607 35.415 1.00 0.00 H ATOM 956 N ALA A 96 13.027 16.868 34.345 1.00 10.42 N ATOM 957 CA ALA A 96 14.213 16.502 33.563 1.00 11.09 C ATOM 958 C ALA A 96 15.511 16.993 34.228 1.00 11.76 C ATOM 959 O ALA A 96 16.528 16.307 34.145 1.00 13.14 O ATOM 960 CB ALA A 96 14.109 17.107 32.157 1.00 13.08 C ATOM 961 H ALA A 96 12.420 17.581 33.962 1.00 0.00 H ATOM 962 N LYS A 97 15.454 18.131 34.944 1.00 11.55 N ATOM 963 CA LYS A 97 16.515 18.646 35.807 1.00 11.67 C ATOM 964 C LYS A 97 16.748 17.729 37.019 1.00 11.49 C ATOM 965 O LYS A 97 17.901 17.460 37.345 1.00 14.28 O ATOM 966 CB LYS A 97 16.149 20.061 36.291 1.00 12.72 C ATOM 967 CG LYS A 97 16.418 21.153 35.246 1.00 12.67 C ATOM 968 CD LYS A 97 16.004 22.536 35.756 1.00 13.88 C ATOM 969 CE LYS A 97 16.281 23.651 34.743 1.00 14.34 C ATOM 970 NZ LYS A 97 15.906 24.959 35.301 1.00 16.93 N1+ ATOM 971 H LYS A 97 14.587 18.651 34.927 1.00 0.00 H ATOM 972 HZ1 LYS A 97 15.992 25.661 34.576 1.00 0.00 H ATOM 973 HZ2 LYS A 97 14.945 24.930 35.612 1.00 0.00 H ATOM 974 HZ3 LYS A 97 16.509 25.190 36.076 1.00 0.00 H ATOM 975 N ARG A 98 15.673 17.214 37.649 1.00 12.01 N ATOM 976 CA ARG A 98 15.731 16.235 38.738 1.00 12.87 C ATOM 977 C ARG A 98 16.376 14.903 38.309 1.00 12.26 C ATOM 978 O ARG A 98 17.182 14.371 39.069 1.00 14.55 O ATOM 979 CB ARG A 98 14.318 16.029 39.345 1.00 13.46 C ATOM 980 CG ARG A 98 14.161 14.872 40.359 1.00 14.92 C ATOM 981 CD ARG A 98 15.007 15.024 41.632 1.00 17.52 C ATOM 982 NE ARG A 98 15.047 13.775 42.407 1.00 17.98 N ATOM 983 CZ ARG A 98 16.023 12.848 42.369 1.00 18.76 C ATOM 984 NH1 ARG A 98 17.057 12.948 41.526 1.00 21.63 N ATOM 985 NH2 ARG A 98 15.965 11.789 43.185 1.00 21.98 N1+ ATOM 986 H ARG A 98 14.757 17.478 37.314 1.00 0.00 H ATOM 987 HE ARG A 98 14.257 13.615 43.016 1.00 0.00 H ATOM 988 HH12 ARG A 98 17.803 12.250 41.525 1.00 0.00 H ATOM 989 HH11 ARG A 98 17.092 13.686 40.834 1.00 0.00 H ATOM 990 HH22 ARG A 98 16.692 11.088 43.147 1.00 0.00 H ATOM 991 HH21 ARG A 98 15.204 11.679 43.839 1.00 0.00 H ATOM 992 N VAL A 99 16.061 14.395 37.101 1.00 11.86 N ATOM 993 CA VAL A 99 16.634 13.175 36.512 1.00 12.33 C ATOM 994 C VAL A 99 18.170 13.240 36.435 1.00 12.78 C ATOM 995 O VAL A 99 18.842 12.297 36.851 1.00 14.35 O ATOM 996 CB VAL A 99 15.999 12.882 35.120 1.00 12.64 C ATOM 997 CG1 VAL A 99 16.697 11.742 34.345 1.00 14.52 C ATOM 998 CG2 VAL A 99 14.495 12.567 35.203 1.00 14.42 C ATOM 999 H VAL A 99 15.374 14.888 36.546 1.00 0.00 H ATOM 1000 N VAL A 100 18.713 14.358 35.925 1.00 13.05 N ATOM 1001 CA VAL A 100 20.144 14.521 35.685 1.00 12.65 C ATOM 1002 C VAL A 100 20.926 14.984 36.930 1.00 14.23 C ATOM 1003 O VAL A 100 22.153 15.026 36.853 1.00 17.68 O ATOM 1004 CB VAL A 100 20.380 15.482 34.490 1.00 12.79 C ATOM 1005 CG1 VAL A 100 19.714 14.941 33.214 1.00 14.07 C ATOM 1006 CG2 VAL A 100 19.963 16.941 34.738 1.00 14.57 C ATOM 1007 H VAL A 100 18.098 15.099 35.617 1.00 0.00 H ATOM 1008 N ARG A 101 20.267 15.274 38.072 1.00 15.12 N ATOM 1009 CA ARG A 101 20.930 15.489 39.368 1.00 17.78 C ATOM 1010 C ARG A 101 21.407 14.175 40.019 1.00 20.08 C ATOM 1011 O ARG A 101 22.267 14.234 40.897 1.00 23.74 O ATOM 1012 CB ARG A 101 20.012 16.246 40.355 1.00 18.42 C ATOM 1013 CG ARG A 101 19.953 17.760 40.075 1.00 18.87 C ATOM 1014 CD ARG A 101 19.426 18.598 41.248 1.00 18.67 C ATOM 1015 NE ARG A 101 18.055 18.238 41.644 1.00 20.24 N ATOM 1016 CZ ARG A 101 16.918 18.759 41.151 1.00 16.31 C ATOM 1017 NH1 ARG A 101 16.921 19.610 40.115 1.00 19.85 N ATOM 1018 NH2 ARG A 101 15.750 18.422 41.710 1.00 21.13 N1+ ATOM 1019 H ARG A 101 19.257 15.229 38.066 1.00 0.00 H ATOM 1020 HE ARG A 101 17.988 17.562 42.390 1.00 0.00 H ATOM 1021 HH12 ARG A 101 16.056 19.991 39.760 1.00 0.00 H ATOM 1022 HH11 ARG A 101 17.793 19.863 39.667 1.00 0.00 H ATOM 1023 HH22 ARG A 101 14.885 18.809 41.361 1.00 0.00 H ATOM 1024 HH21 ARG A 101 15.726 17.811 42.514 1.00 0.00 H ATOM 1025 N ASP A 102 20.935 13.003 39.552 1.00 17.13 N ATOM 1026 CA ASP A 102 21.527 11.699 39.876 1.00 18.60 C ATOM 1027 C ASP A 102 22.850 11.508 39.095 1.00 18.33 C ATOM 1028 O ASP A 102 22.997 12.101 38.022 1.00 17.88 O ATOM 1029 CB ASP A 102 20.553 10.550 39.512 1.00 25.63 C ATOM 1030 CG ASP A 102 19.376 10.373 40.480 1.00 29.45 C ATOM 1031 OD1 ASP A 102 19.199 11.224 41.379 1.00 31.08 O ATOM 1032 OD2 ASP A 102 18.673 9.353 40.318 1.00 39.39 O1- ATOM 1033 H ASP A 102 20.227 13.021 38.831 1.00 0.00 H ATOM 1034 N PRO A 103 23.815 10.707 39.617 1.00 21.13 N ATOM 1035 CA PRO A 103 25.160 10.483 39.042 1.00 24.39 C ATOM 1036 C PRO A 103 25.247 10.155 37.542 1.00 20.09 C ATOM 1037 O PRO A 103 26.219 10.541 36.894 1.00 18.73 O ATOM 1038 CB PRO A 103 25.751 9.315 39.844 1.00 27.01 C ATOM 1039 CG PRO A 103 25.064 9.386 41.191 1.00 27.24 C ATOM 1040 CD PRO A 103 23.697 9.999 40.899 1.00 23.20 C ATOM 1041 N GLN A 104 24.237 9.453 37.003 1.00 18.34 N ATOM 1042 CA GLN A 104 24.165 8.982 35.621 1.00 21.23 C ATOM 1043 C GLN A 104 24.032 10.139 34.608 1.00 17.94 C ATOM 1044 O GLN A 104 24.524 10.031 33.485 1.00 18.00 O ATOM 1045 CB GLN A 104 22.953 8.025 35.525 1.00 24.12 C ATOM 1046 CG GLN A 104 23.132 6.913 34.474 1.00 47.13 C ATOM 1047 CD GLN A 104 21.965 5.925 34.356 1.00 47.32 C ATOM 1048 OE1 GLN A 104 22.055 4.973 33.586 1.00 60.39 O ATOM 1049 NE2 GLN A 104 20.870 6.124 35.094 1.00 62.61 N ATOM 1050 H GLN A 104 23.476 9.189 37.612 1.00 0.00 H ATOM 1051 HE22 GLN A 104 20.099 5.476 35.026 1.00 0.00 H ATOM 1052 HE21 GLN A 104 20.817 6.913 35.721 1.00 0.00 H ATOM 1053 N GLY A 105 23.401 11.256 35.013 1.00 16.59 N ATOM 1054 CA GLY A 105 23.160 12.425 34.178 1.00 17.91 C ATOM 1055 C GLY A 105 22.122 12.130 33.092 1.00 15.90 C ATOM 1056 O GLY A 105 21.124 11.455 33.348 1.00 17.09 O ATOM 1057 H GLY A 105 23.053 11.288 35.962 1.00 0.00 H ATOM 1058 N ILE A 106 22.373 12.637 31.875 1.00 15.81 N ATOM 1059 CA ILE A 106 21.537 12.441 30.687 1.00 17.11 C ATOM 1060 C ILE A 106 21.655 11.018 30.078 1.00 15.80 C ATOM 1061 O ILE A 106 20.874 10.675 29.190 1.00 16.82 O ATOM 1062 CB ILE A 106 21.877 13.558 29.659 1.00 17.55 C ATOM 1063 CG1 ILE A 106 20.841 13.639 28.514 1.00 19.14 C ATOM 1064 CG2 ILE A 106 23.324 13.478 29.123 1.00 21.03 C ATOM 1065 CD1 ILE A 106 20.763 15.008 27.828 1.00 17.90 C ATOM 1066 H ILE A 106 23.210 13.187 31.753 1.00 0.00 H ATOM 1067 N ARG A 107 22.558 10.158 30.589 1.00 16.58 N ATOM 1068 CA ARG A 107 22.642 8.734 30.234 1.00 17.13 C ATOM 1069 C ARG A 107 21.521 7.898 30.877 1.00 20.36 C ATOM 1070 O ARG A 107 21.404 6.721 30.550 1.00 21.86 O ATOM 1071 CB ARG A 107 23.999 8.150 30.677 1.00 18.94 C ATOM 1072 CG ARG A 107 25.170 8.719 29.876 1.00 23.89 C ATOM 1073 CD ARG A 107 26.543 8.362 30.455 1.00 39.98 C ATOM 1074 NE ARG A 107 27.556 9.240 29.859 1.00 47.72 N ATOM 1075 CZ ARG A 107 27.764 10.520 30.213 1.00 67.00 C ATOM 1076 NH1 ARG A 107 27.120 11.081 31.250 1.00 74.07 N ATOM 1077 NH2 ARG A 107 28.626 11.255 29.502 1.00 64.71 N1+ ATOM 1078 H ARG A 107 23.160 10.486 31.331 1.00 0.00 H ATOM 1079 HE ARG A 107 28.058 8.863 29.066 1.00 0.00 H ATOM 1080 HH12 ARG A 107 27.293 12.042 31.504 1.00 0.00 H ATOM 1081 HH11 ARG A 107 26.471 10.534 31.799 1.00 0.00 H ATOM 1082 HH22 ARG A 107 28.803 12.219 29.747 1.00 0.00 H ATOM 1083 HH21 ARG A 107 29.121 10.847 28.722 1.00 0.00 H ATOM 1084 N ALA A 108 20.664 8.490 31.730 1.00 18.54 N ATOM 1085 CA ALA A 108 19.430 7.889 32.246 1.00 21.58 C ATOM 1086 C ALA A 108 18.442 7.492 31.134 1.00 18.41 C ATOM 1087 O ALA A 108 17.742 6.489 31.269 1.00 24.26 O ATOM 1088 CB ALA A 108 18.774 8.875 33.224 1.00 25.52 C ATOM 1089 H ALA A 108 20.827 9.460 31.963 1.00 0.00 H ATOM 1090 N TRP A 109 18.442 8.240 30.019 1.00 16.15 N ATOM 1091 CA TRP A 109 17.740 7.917 28.784 1.00 16.79 C ATOM 1092 C TRP A 109 18.709 7.185 27.845 1.00 15.57 C ATOM 1093 O TRP A 109 19.772 7.711 27.506 1.00 17.44 O ATOM 1094 CB TRP A 109 17.320 9.239 28.122 1.00 14.21 C ATOM 1095 CG TRP A 109 16.287 10.025 28.875 1.00 14.22 C ATOM 1096 CD1 TRP A 109 14.956 9.796 28.845 1.00 17.01 C ATOM 1097 CD2 TRP A 109 16.470 11.192 29.735 1.00 13.07 C ATOM 1098 NE1 TRP A 109 14.306 10.734 29.619 1.00 16.16 N ATOM 1099 CE2 TRP A 109 15.185 11.640 30.171 1.00 14.95 C ATOM 1100 CE3 TRP A 109 17.588 11.936 30.174 1.00 14.74 C ATOM 1101 CZ2 TRP A 109 15.019 12.782 30.976 1.00 16.94 C ATOM 1102 CZ3 TRP A 109 17.435 13.082 30.978 1.00 14.74 C ATOM 1103 CH2 TRP A 109 16.154 13.510 31.376 1.00 16.52 C ATOM 1104 H TRP A 109 19.059 9.039 29.990 1.00 0.00 H ATOM 1105 HE1 TRP A 109 13.298 10.766 29.683 1.00 0.00 H ATOM 1106 N VAL A 110 18.330 5.967 27.419 1.00 18.17 N ATOM 1107 CA VAL A 110 19.121 5.111 26.527 1.00 20.77 C ATOM 1108 C VAL A 110 19.144 5.637 25.080 1.00 18.43 C ATOM 1109 O VAL A 110 20.101 5.358 24.362 1.00 20.67 O ATOM 1110 CB VAL A 110 18.585 3.652 26.554 1.00 28.20 C ATOM 1111 CG1 VAL A 110 18.655 3.049 27.967 1.00 32.48 C ATOM 1112 CG2 VAL A 110 17.175 3.467 25.956 1.00 32.96 C ATOM 1113 H VAL A 110 17.446 5.600 27.743 1.00 0.00 H ATOM 1114 N ALA A 111 18.130 6.421 24.664 1.00 18.39 N ATOM 1115 CA ALA A 111 18.040 7.027 23.335 1.00 20.08 C ATOM 1116 C ALA A 111 19.120 8.096 23.120 1.00 17.47 C ATOM 1117 O ALA A 111 19.592 8.244 21.997 1.00 19.35 O ATOM 1118 CB ALA A 111 16.661 7.674 23.154 1.00 21.74 C ATOM 1119 H ALA A 111 17.379 6.617 25.311 1.00 0.00 H ATOM 1120 N TRP A 112 19.559 8.786 24.191 1.00 16.39 N ATOM 1121 CA TRP A 112 20.690 9.708 24.154 1.00 14.27 C ATOM 1122 C TRP A 112 22.023 8.959 23.971 1.00 14.94 C ATOM 1123 O TRP A 112 22.895 9.463 23.268 1.00 14.58 O ATOM 1124 CB TRP A 112 20.733 10.551 25.446 1.00 14.56 C ATOM 1125 CG TRP A 112 21.811 11.595 25.462 1.00 15.83 C ATOM 1126 CD1 TRP A 112 21.694 12.854 24.983 1.00 15.71 C ATOM 1127 CD2 TRP A 112 23.191 11.468 25.925 1.00 15.54 C ATOM 1128 NE1 TRP A 112 22.913 13.494 25.070 1.00 15.81 N ATOM 1129 CE2 TRP A 112 23.877 12.685 25.632 1.00 16.34 C ATOM 1130 CE3 TRP A 112 23.942 10.440 26.546 1.00 16.24 C ATOM 1131 CZ2 TRP A 112 25.241 12.868 25.919 1.00 19.60 C ATOM 1132 CZ3 TRP A 112 25.307 10.619 26.850 1.00 19.22 C ATOM 1133 CH2 TRP A 112 25.958 11.827 26.535 1.00 21.44 C ATOM 1134 H TRP A 112 19.131 8.605 25.089 1.00 0.00 H ATOM 1135 HE1 TRP A 112 23.067 14.432 24.725 1.00 0.00 H ATOM 1136 N ARG A 113 22.182 7.752 24.542 1.00 15.14 N ATOM 1137 CA ARG A 113 23.387 6.935 24.363 1.00 16.43 C ATOM 1138 C ARG A 113 23.515 6.426 22.917 1.00 17.09 C ATOM 1139 O ARG A 113 24.624 6.357 22.390 1.00 18.84 O ATOM 1140 CB ARG A 113 23.364 5.703 25.286 1.00 19.05 C ATOM 1141 CG ARG A 113 23.189 5.990 26.784 1.00 21.06 C ATOM 1142 CD ARG A 113 23.337 4.692 27.592 1.00 31.33 C ATOM 1143 NE ARG A 113 22.597 4.736 28.857 1.00 32.96 N ATOM 1144 CZ ARG A 113 22.248 3.670 29.598 1.00 39.44 C ATOM 1145 NH1 ARG A 113 22.564 2.422 29.227 1.00 48.10 N ATOM 1146 NH2 ARG A 113 21.568 3.859 30.733 1.00 49.31 N1+ ATOM 1147 H ARG A 113 21.425 7.367 25.088 1.00 0.00 H ATOM 1148 HE ARG A 113 22.334 5.651 29.202 1.00 0.00 H ATOM 1149 HH12 ARG A 113 22.295 1.633 29.796 1.00 0.00 H ATOM 1150 HH11 ARG A 113 23.079 2.263 28.373 1.00 0.00 H ATOM 1151 HH22 ARG A 113 21.305 3.083 31.322 1.00 0.00 H ATOM 1152 HH21 ARG A 113 21.339 4.802 31.028 1.00 0.00 H ATOM 1153 N ASN A 114 22.375 6.092 22.287 1.00 15.91 N ATOM 1154 CA ASN A 114 22.293 5.523 20.945 1.00 17.99 C ATOM 1155 C ASN A 114 22.430 6.604 19.858 1.00 15.89 C ATOM 1156 O ASN A 114 23.071 6.343 18.842 1.00 20.21 O ATOM 1157 CB ASN A 114 20.913 4.841 20.749 1.00 22.77 C ATOM 1158 CG ASN A 114 20.625 3.655 21.680 1.00 26.98 C ATOM 1159 OD1 ASN A 114 21.518 3.113 22.326 1.00 28.93 O ATOM 1160 ND2 ASN A 114 19.353 3.262 21.771 1.00 33.78 N ATOM 1161 H ASN A 114 21.511 6.174 22.806 1.00 0.00 H ATOM 1162 HD22 ASN A 114 19.115 2.494 22.382 1.00 0.00 H ATOM 1163 HD21 ASN A 114 18.634 3.729 21.238 1.00 0.00 H ATOM 1164 N ARG A 115 21.813 7.785 20.049 1.00 16.64 N ATOM 1165 CA ARG A 115 21.603 8.791 19.003 1.00 17.38 C ATOM 1166 C ARG A 115 22.410 10.086 19.184 1.00 17.46 C ATOM 1167 O ARG A 115 22.424 10.885 18.248 1.00 20.36 O ATOM 1168 CB ARG A 115 20.110 9.191 18.985 1.00 18.38 C ATOM 1169 CG ARG A 115 19.121 8.051 18.697 1.00 24.94 C ATOM 1170 CD ARG A 115 19.133 7.624 17.226 1.00 30.28 C ATOM 1171 NE ARG A 115 18.091 6.627 16.952 1.00 32.22 N ATOM 1172 CZ ARG A 115 17.659 6.271 15.731 1.00 32.89 C ATOM 1173 NH1 ARG A 115 18.152 6.844 14.623 1.00 35.05 N ATOM 1174 NH2 ARG A 115 16.721 5.322 15.618 1.00 36.35 N1+ ATOM 1175 H ARG A 115 21.314 7.924 20.918 1.00 0.00 H ATOM 1176 HE ARG A 115 17.702 6.159 17.758 1.00 0.00 H ATOM 1177 HH12 ARG A 115 17.823 6.568 13.709 1.00 0.00 H ATOM 1178 HH11 ARG A 115 18.850 7.569 14.700 1.00 0.00 H ATOM 1179 HH22 ARG A 115 16.385 5.040 14.709 1.00 0.00 H ATOM 1180 HH21 ARG A 115 16.336 4.883 16.441 1.00 0.00 H ATOM 1181 N CYS A 116 23.025 10.337 20.354 1.00 15.08 N ATOM 1182 CA CYS A 116 23.574 11.652 20.722 1.00 14.67 C ATOM 1183 C CYS A 116 24.998 11.587 21.279 1.00 16.40 C ATOM 1184 O CYS A 116 25.791 12.490 21.006 1.00 18.54 O ATOM 1185 CB CYS A 116 22.629 12.374 21.703 1.00 14.17 C ATOM 1186 SG CYS A 116 20.893 12.479 21.199 1.00 14.27 S ATOM 1187 H CYS A 116 22.968 9.641 21.085 1.00 0.00 H ATOM 1188 N GLN A 117 25.327 10.542 22.057 1.00 16.23 N ATOM 1189 CA GLN A 117 26.612 10.385 22.734 1.00 18.20 C ATOM 1190 C GLN A 117 27.710 10.055 21.716 1.00 20.42 C ATOM 1191 O GLN A 117 27.559 9.131 20.916 1.00 20.59 O ATOM 1192 CB GLN A 117 26.510 9.242 23.764 1.00 19.87 C ATOM 1193 CG GLN A 117 27.733 9.177 24.710 1.00 23.21 C ATOM 1194 CD GLN A 117 27.716 8.047 25.744 1.00 24.24 C ATOM 1195 OE1 GLN A 117 28.505 8.075 26.686 1.00 33.47 O ATOM 1196 NE2 GLN A 117 26.826 7.062 25.606 1.00 37.16 N ATOM 1197 H GLN A 117 24.616 9.849 22.253 1.00 0.00 H ATOM 1198 HE22 GLN A 117 26.810 6.307 26.276 1.00 0.00 H ATOM 1199 HE21 GLN A 117 26.204 7.054 24.810 1.00 0.00 H ATOM 1200 N ASN A 118 28.800 10.838 21.754 1.00 23.71 N ATOM 1201 CA ASN A 118 29.998 10.717 20.915 1.00 28.55 C ATOM 1202 C ASN A 118 29.756 11.143 19.452 1.00 27.64 C ATOM 1203 O ASN A 118 30.561 10.822 18.579 1.00 33.21 O ATOM 1204 CB ASN A 118 30.707 9.341 21.049 1.00 34.02 C ATOM 1205 CG ASN A 118 31.107 8.988 22.486 1.00 36.99 C ATOM 1206 OD1 ASN A 118 31.716 9.796 23.185 1.00 41.09 O ATOM 1207 ND2 ASN A 118 30.734 7.793 22.948 1.00 45.69 N ATOM 1208 H ASN A 118 28.812 11.580 22.439 1.00 0.00 H ATOM 1209 HD22 ASN A 118 30.972 7.528 23.893 1.00 0.00 H ATOM 1210 HD21 ASN A 118 30.223 7.157 22.353 1.00 0.00 H ATOM 1211 N ARG A 119 28.647 11.854 19.190 1.00 26.95 N ATOM 1212 CA ARG A 119 28.271 12.405 17.893 1.00 29.41 C ATOM 1213 C ARG A 119 28.339 13.934 17.931 1.00 27.46 C ATOM 1214 O ARG A 119 28.267 14.551 18.996 1.00 28.03 O ATOM 1215 CB ARG A 119 26.818 12.009 17.561 1.00 27.29 C ATOM 1216 CG ARG A 119 26.577 10.495 17.472 1.00 29.07 C ATOM 1217 CD ARG A 119 25.330 10.191 16.636 1.00 33.27 C ATOM 1218 NE ARG A 119 24.863 8.809 16.821 1.00 34.40 N ATOM 1219 CZ ARG A 119 24.467 7.968 15.849 1.00 33.71 C ATOM 1220 NH1 ARG A 119 24.506 8.314 14.555 1.00 39.46 N ATOM 1221 NH2 ARG A 119 24.017 6.752 16.178 1.00 32.31 N1+ ATOM 1222 H ARG A 119 28.038 12.076 19.965 1.00 0.00 H ATOM 1223 HE ARG A 119 24.797 8.495 17.780 1.00 0.00 H ATOM 1224 HH12 ARG A 119 24.210 7.669 13.838 1.00 0.00 H ATOM 1225 HH11 ARG A 119 24.842 9.228 14.290 1.00 0.00 H ATOM 1226 HH22 ARG A 119 23.735 6.096 15.465 1.00 0.00 H ATOM 1227 HH21 ARG A 119 23.924 6.489 17.154 1.00 0.00 H ATOM 1228 N ASP A 120 28.402 14.536 16.734 1.00 30.41 N ATOM 1229 CA ASP A 120 28.219 15.965 16.511 1.00 27.35 C ATOM 1230 C ASP A 120 26.710 16.272 16.595 1.00 25.50 C ATOM 1231 O ASP A 120 25.926 15.774 15.786 1.00 30.21 O ATOM 1232 CB ASP A 120 28.797 16.303 15.111 1.00 31.42 C ATOM 1233 CG ASP A 120 28.834 17.795 14.754 1.00 38.14 C ATOM 1234 OD1 ASP A 120 28.430 18.619 15.603 1.00 41.12 O ATOM 1235 OD2 ASP A 120 29.307 18.095 13.637 1.00 34.42 O1- ATOM 1236 H ASP A 120 28.453 13.954 15.911 1.00 0.00 H ATOM 1237 N VAL A 121 26.323 17.076 17.598 1.00 22.52 N ATOM 1238 CA VAL A 121 24.941 17.432 17.934 1.00 21.13 C ATOM 1239 C VAL A 121 24.664 18.939 17.755 1.00 22.32 C ATOM 1240 O VAL A 121 23.569 19.394 18.080 1.00 18.74 O ATOM 1241 CB VAL A 121 24.573 16.913 19.356 1.00 22.58 C ATOM 1242 CG1 VAL A 121 24.536 15.376 19.425 1.00 30.69 C ATOM 1243 CG2 VAL A 121 25.471 17.477 20.473 1.00 25.84 C ATOM 1244 H VAL A 121 27.043 17.431 18.212 1.00 0.00 H ATOM 1245 N ARG A 122 25.614 19.717 17.201 1.00 27.46 N ATOM 1246 CA ARG A 122 25.458 21.136 16.841 1.00 27.65 C ATOM 1247 C ARG A 122 24.280 21.427 15.891 1.00 24.97 C ATOM 1248 O ARG A 122 23.700 22.511 15.967 1.00 25.46 O ATOM 1249 CB AARG A 122 26.810 21.673 16.306 0.50 29.85 C ATOM 1250 CB BARG A 122 26.848 21.527 16.242 0.50 28.87 C ATOM 1251 CG AARG A 122 26.773 22.775 15.217 0.50 34.26 C ATOM 1252 CG BARG A 122 28.061 21.210 17.122 0.50 37.32 C ATOM 1253 CD AARG A 122 28.151 23.362 14.887 0.50 33.83 C ATOM 1254 CD BARG A 122 27.907 22.022 18.426 0.50 40.48 C ATOM 1255 NE AARG A 122 29.113 22.304 14.547 0.50 37.37 N ATOM 1256 NE BARG A 122 26.936 23.095 18.208 0.50 40.95 N ATOM 1257 CZ AARG A 122 29.992 21.741 15.394 0.50 37.41 C ATOM 1258 CZ BARG A 122 26.457 23.895 19.152 0.50 41.42 C ATOM 1259 NH1AARG A 122 30.125 22.162 16.660 0.50 44.26 N ATOM 1260 NH1BARG A 122 26.123 23.403 20.334 0.50 44.41 N ATOM 1261 NH2AARG A 122 30.746 20.721 14.968 0.50 43.88 N1+ ATOM 1262 NH2BARG A 122 26.311 25.194 18.898 0.50 53.39 N1+ ATOM 1263 H ARG A 122 26.486 19.276 16.937 1.00 0.00 H ATOM 1264 HE AARG A 122 29.042 21.926 13.612 0.50 0.00 H ATOM 1265 HE BARG A 122 26.631 23.204 17.251 0.50 0.00 H ATOM 1266 HH12AARG A 122 30.782 21.717 17.284 0.50 0.00 H ATOM 1267 HH12BARG A 122 25.759 24.014 21.051 0.50 0.00 H ATOM 1268 HH11AARG A 122 29.561 22.929 16.996 0.50 0.00 H ATOM 1269 HH11BARG A 122 26.232 22.416 20.519 0.50 0.00 H ATOM 1270 HH22AARG A 122 31.398 20.270 15.592 0.50 0.00 H ATOM 1271 HH22BARG A 122 25.947 25.810 19.611 0.50 0.00 H ATOM 1272 HH21AARG A 122 30.581 20.308 14.060 0.50 0.00 H ATOM 1273 HH21BARG A 122 26.564 25.563 17.993 0.50 0.00 H ATOM 1274 N GLN A 123 23.930 20.464 15.020 1.00 26.01 N ATOM 1275 CA GLN A 123 22.850 20.541 14.035 1.00 28.19 C ATOM 1276 C GLN A 123 21.465 20.899 14.610 1.00 24.96 C ATOM 1277 O GLN A 123 20.659 21.515 13.914 1.00 26.43 O ATOM 1278 CB GLN A 123 22.787 19.239 13.210 1.00 33.36 C ATOM 1279 CG GLN A 123 22.477 17.957 14.021 1.00 45.52 C ATOM 1280 CD GLN A 123 22.225 16.702 13.178 1.00 48.33 C ATOM 1281 OE1 GLN A 123 22.329 15.594 13.698 1.00 50.12 O ATOM 1282 NE2 GLN A 123 21.914 16.839 11.886 1.00 61.45 N ATOM 1283 H GLN A 123 24.468 19.610 15.037 1.00 0.00 H ATOM 1284 HE22 GLN A 123 21.760 16.015 11.323 1.00 0.00 H ATOM 1285 HE21 GLN A 123 21.846 17.757 11.475 1.00 0.00 H ATOM 1286 N TYR A 124 21.194 20.524 15.872 1.00 21.23 N ATOM 1287 CA TYR A 124 19.891 20.681 16.515 1.00 20.57 C ATOM 1288 C TYR A 124 19.659 22.098 17.081 1.00 17.27 C ATOM 1289 O TYR A 124 18.516 22.418 17.405 1.00 19.70 O ATOM 1290 CB TYR A 124 19.781 19.656 17.663 1.00 20.32 C ATOM 1291 CG TYR A 124 19.869 18.204 17.223 1.00 17.15 C ATOM 1292 CD1 TYR A 124 18.837 17.628 16.453 1.00 23.75 C ATOM 1293 CD2 TYR A 124 20.992 17.427 17.566 1.00 19.77 C ATOM 1294 CE1 TYR A 124 18.946 16.295 16.008 1.00 24.75 C ATOM 1295 CE2 TYR A 124 21.118 16.108 17.097 1.00 21.05 C ATOM 1296 CZ TYR A 124 20.093 15.539 16.320 1.00 20.92 C ATOM 1297 OH TYR A 124 20.219 14.258 15.867 1.00 25.52 O ATOM 1298 H TYR A 124 21.912 20.038 16.392 1.00 0.00 H ATOM 1299 HH TYR A 124 21.088 13.912 16.008 1.00 0.00 H ATOM 1300 N VAL A 125 20.696 22.955 17.146 1.00 19.87 N ATOM 1301 CA VAL A 125 20.644 24.327 17.673 1.00 19.04 C ATOM 1302 C VAL A 125 21.133 25.394 16.677 1.00 21.10 C ATOM 1303 O VAL A 125 21.022 26.581 16.988 1.00 21.37 O ATOM 1304 CB VAL A 125 21.380 24.430 19.037 1.00 21.60 C ATOM 1305 CG1 VAL A 125 20.613 23.726 20.164 1.00 23.75 C ATOM 1306 CG2 VAL A 125 22.845 23.956 18.977 1.00 24.99 C ATOM 1307 H VAL A 125 21.601 22.620 16.845 1.00 0.00 H ATOM 1308 N GLN A 126 21.660 25.012 15.498 1.00 23.38 N ATOM 1309 CA GLN A 126 22.195 25.952 14.508 1.00 29.06 C ATOM 1310 C GLN A 126 21.098 26.850 13.904 1.00 27.13 C ATOM 1311 O GLN A 126 20.025 26.378 13.526 1.00 27.14 O ATOM 1312 CB AGLN A 126 22.988 25.197 13.418 0.50 31.28 C ATOM 1313 CB BGLN A 126 23.035 25.188 13.469 0.50 31.69 C ATOM 1314 CG AGLN A 126 22.199 24.232 12.495 0.50 33.72 C ATOM 1315 CG BGLN A 126 23.789 23.971 13.941 0.50 37.39 C ATOM 1316 CD AGLN A 126 22.525 24.354 11.003 0.50 47.22 C ATOM 1317 CD BGLN A 126 25.043 24.263 14.723 0.50 38.76 C ATOM 1318 OE1AGLN A 126 22.739 23.344 10.337 0.50 45.69 O ATOM 1319 OE1BGLN A 126 25.125 25.190 15.519 0.50 38.51 O ATOM 1320 NE2AGLN A 126 22.580 25.575 10.465 0.50 49.55 N ATOM 1321 NE2BGLN A 126 26.059 23.415 14.517 0.50 43.64 N ATOM 1322 H GLN A 126 21.737 24.025 15.296 1.00 0.00 H ATOM 1323 HE22AGLN A 126 22.800 25.675 9.485 0.50 0.00 H ATOM 1324 HE22BGLN A 126 26.933 23.546 15.006 0.50 0.00 H ATOM 1325 HE21AGLN A 126 22.399 26.390 11.032 0.50 0.00 H ATOM 1326 HE21BGLN A 126 25.951 22.645 13.873 0.50 0.00 H ATOM 1327 N GLY A 127 21.379 28.161 13.847 1.00 25.06 N ATOM 1328 CA GLY A 127 20.493 29.193 13.312 1.00 25.33 C ATOM 1329 C GLY A 127 19.320 29.600 14.219 1.00 23.89 C ATOM 1330 O GLY A 127 18.467 30.361 13.767 1.00 25.63 O ATOM 1331 H GLY A 127 22.276 28.468 14.194 1.00 0.00 H ATOM 1332 N CYS A 128 19.252 29.102 15.467 1.00 20.90 N ATOM 1333 CA CYS A 128 18.122 29.323 16.376 1.00 20.37 C ATOM 1334 C CYS A 128 18.291 30.542 17.302 1.00 21.95 C ATOM 1335 O CYS A 128 17.338 30.892 18.002 1.00 24.45 O ATOM 1336 CB CYS A 128 17.940 28.070 17.252 1.00 18.95 C ATOM 1337 SG CYS A 128 17.562 26.536 16.360 1.00 17.57 S ATOM 1338 H CYS A 128 19.979 28.471 15.774 1.00 0.00 H ATOM 1339 N GLY A 129 19.461 31.203 17.294 1.00 27.29 N ATOM 1340 CA GLY A 129 19.742 32.406 18.080 1.00 29.29 C ATOM 1341 C GLY A 129 20.015 32.139 19.567 1.00 28.62 C ATOM 1342 O GLY A 129 19.757 33.010 20.396 1.00 38.50 O ATOM 1343 H GLY A 129 20.192 30.869 16.683 1.00 0.00 H ATOM 1344 N VAL A 130 20.501 30.932 19.893 1.00 24.90 N ATOM 1345 CA VAL A 130 20.800 30.448 21.242 1.00 25.27 C ATOM 1346 C VAL A 130 22.317 30.271 21.438 1.00 33.46 C ATOM 1347 O VAL A 130 22.701 30.029 22.602 1.00 31.44 O ATOM 1348 CB VAL A 130 20.039 29.117 21.484 1.00 25.35 C ATOM 1349 CG1 VAL A 130 18.516 29.329 21.471 1.00 27.59 C ATOM 1350 CG2 VAL A 130 20.444 27.982 20.520 1.00 26.59 C ATOM 1351 OXT VAL A 130 23.068 30.369 20.442 1.00 47.97 O1- ATOM 1352 H VAL A 130 20.713 30.295 19.140 1.00 0.00 H CONECT 68 1337 CONECT 322 1186 CONECT 703 836 CONECT 800 954 CONECT 836 703 CONECT 954 800 CONECT 1186 322 CONECT 1337 68 ENDMDL END If you find results from this site helpful for your research, please cite one of our papers:
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