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*** ***elNémo ID: 2503181258433298928Job options:ID = 2503181258433298928 JOBID = USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:REMARK 4 COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 REMARK 888 REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) TITLE Displayed atoms MODEL 1 ATOM 1 N LYS A 1 1.192 19.713 22.061 1.00 17.06 N1+ ATOM 2 CA LYS A 1 1.945 20.614 21.172 1.00 18.25 C ATOM 3 C LYS A 1 3.147 19.881 20.574 1.00 16.14 C ATOM 4 O LYS A 1 3.919 19.274 21.313 1.00 16.16 O ATOM 5 CB LYS A 1 2.396 21.867 21.956 1.00 24.42 C ATOM 6 CG LYS A 1 3.283 22.858 21.183 1.00 26.69 C ATOM 7 CD LYS A 1 3.600 24.113 22.004 1.00 23.93 C ATOM 8 CE LYS A 1 4.495 25.086 21.231 1.00 26.10 C ATOM 9 NZ LYS A 1 4.811 26.280 22.029 1.00 38.54 N1+ ATOM 10 H1 LYS A 1 0.471 20.233 22.551 1.00 0.00 H ATOM 11 H2 LYS A 1 0.778 18.964 21.526 1.00 0.00 H ATOM 12 H3 LYS A 1 1.828 19.325 22.747 1.00 0.00 H ATOM 13 HZ1 LYS A 1 5.372 26.897 21.447 1.00 0.00 H ATOM 14 HZ2 LYS A 1 3.960 26.752 22.296 1.00 0.00 H ATOM 15 HZ3 LYS A 1 5.336 26.016 22.850 1.00 0.00 H ATOM 16 N VAL A 2 3.340 20.014 19.253 1.00 15.22 N ATOM 17 CA VAL A 2 4.591 19.694 18.570 1.00 14.66 C ATOM 18 C VAL A 2 5.300 21.038 18.366 1.00 14.54 C ATOM 19 O VAL A 2 4.792 21.910 17.657 1.00 17.31 O ATOM 20 CB VAL A 2 4.304 19.011 17.204 1.00 18.09 C ATOM 21 CG1 VAL A 2 5.602 18.674 16.441 1.00 20.30 C ATOM 22 CG2 VAL A 2 3.471 17.728 17.375 1.00 21.91 C ATOM 23 H VAL A 2 2.658 20.530 18.717 1.00 0.00 H ATOM 24 N PHE A 3 6.473 21.197 18.995 1.00 13.22 N ATOM 25 CA PHE A 3 7.315 22.380 18.854 1.00 12.29 C ATOM 26 C PHE A 3 8.095 22.308 17.536 1.00 13.94 C ATOM 27 O PHE A 3 8.519 21.235 17.102 1.00 16.04 O ATOM 28 CB PHE A 3 8.367 22.416 19.982 1.00 13.14 C ATOM 29 CG PHE A 3 7.910 22.938 21.327 1.00 12.43 C ATOM 30 CD1 PHE A 3 7.158 22.120 22.195 1.00 14.74 C ATOM 31 CD2 PHE A 3 8.284 24.235 21.735 1.00 14.77 C ATOM 32 CE1 PHE A 3 6.787 22.604 23.464 1.00 16.85 C ATOM 33 CE2 PHE A 3 7.916 24.714 23.006 1.00 16.48 C ATOM 34 CZ PHE A 3 7.166 23.896 23.872 1.00 16.12 C ATOM 35 H PHE A 3 6.828 20.435 19.557 1.00 0.00 H ATOM 36 N GLU A 4 8.361 23.490 16.965 1.00 14.86 N ATOM 37 CA GLU A 4 9.380 23.696 15.942 1.00 16.55 C ATOM 38 C GLU A 4 10.756 23.702 16.637 1.00 14.12 C ATOM 39 O GLU A 4 10.858 24.061 17.811 1.00 14.27 O ATOM 40 CB GLU A 4 9.120 25.055 15.262 1.00 21.19 C ATOM 41 CG GLU A 4 7.793 25.069 14.474 1.00 34.01 C ATOM 42 CD GLU A 4 7.491 26.435 13.861 1.00 39.62 C ATOM 43 OE1 GLU A 4 8.289 26.862 12.998 1.00 49.70 O ATOM 44 OE2 GLU A 4 6.465 27.027 14.260 1.00 48.74 O1- ATOM 45 H GLU A 4 7.960 24.320 17.385 1.00 0.00 H ATOM 46 N ARG A 5 11.806 23.262 15.924 1.00 13.42 N ATOM 47 CA ARG A 5 13.169 23.056 16.429 1.00 13.70 C ATOM 48 C ARG A 5 13.741 24.248 17.219 1.00 11.54 C ATOM 49 O ARG A 5 14.134 24.094 18.374 1.00 12.11 O ATOM 50 CB ARG A 5 14.076 22.624 15.258 1.00 14.12 C ATOM 51 CG ARG A 5 15.552 22.376 15.627 1.00 16.72 C ATOM 52 CD ARG A 5 16.395 21.918 14.430 1.00 19.34 C ATOM 53 NE ARG A 5 16.574 23.004 13.453 1.00 20.28 N ATOM 54 CZ ARG A 5 17.556 23.921 13.456 1.00 21.61 C ATOM 55 NH1 ARG A 5 18.502 23.935 14.403 1.00 24.48 N ATOM 56 NH2 ARG A 5 17.591 24.854 12.498 1.00 23.88 N1+ ATOM 57 H ARG A 5 11.631 22.981 14.970 1.00 0.00 H ATOM 58 HE ARG A 5 15.873 23.058 12.728 1.00 0.00 H ATOM 59 HH12 ARG A 5 19.217 24.651 14.389 1.00 0.00 H ATOM 60 HH11 ARG A 5 18.486 23.256 15.150 1.00 0.00 H ATOM 61 HH22 ARG A 5 18.318 25.558 12.513 1.00 0.00 H ATOM 62 HH21 ARG A 5 16.893 24.878 11.769 1.00 0.00 H ATOM 63 N CYS A 6 13.753 25.440 16.607 1.00 12.58 N ATOM 64 CA CYS A 6 14.327 26.640 17.207 1.00 12.42 C ATOM 65 C CYS A 6 13.387 27.350 18.192 1.00 11.86 C ATOM 66 O CYS A 6 13.870 28.123 19.020 1.00 13.27 O ATOM 67 CB CYS A 6 14.715 27.612 16.086 1.00 13.64 C ATOM 68 SG CYS A 6 16.083 27.039 15.041 1.00 16.20 S ATOM 69 H CYS A 6 13.398 25.506 15.664 1.00 0.00 H ATOM 70 N GLU A 7 12.077 27.047 18.163 1.00 12.12 N ATOM 71 CA GLU A 7 11.114 27.459 19.183 1.00 12.07 C ATOM 72 C GLU A 7 11.405 26.732 20.508 1.00 11.12 C ATOM 73 O GLU A 7 11.437 27.382 21.553 1.00 12.80 O ATOM 74 CB GLU A 7 9.682 27.156 18.691 1.00 16.60 C ATOM 75 CG GLU A 7 8.555 27.544 19.678 1.00 18.77 C ATOM 76 CD GLU A 7 7.191 26.934 19.346 1.00 21.58 C ATOM 77 OE1 GLU A 7 7.146 25.920 18.615 1.00 21.23 O ATOM 78 OE2 GLU A 7 6.203 27.482 19.882 1.00 26.51 O1- ATOM 79 H GLU A 7 11.755 26.384 17.471 1.00 0.00 H ATOM 80 N LEU A 8 11.667 25.411 20.454 1.00 11.84 N ATOM 81 CA LEU A 8 12.025 24.587 21.607 1.00 10.90 C ATOM 82 C LEU A 8 13.402 24.966 22.169 1.00 10.67 C ATOM 83 O LEU A 8 13.545 25.021 23.387 1.00 11.45 O ATOM 84 CB LEU A 8 12.014 23.092 21.216 1.00 11.53 C ATOM 85 CG LEU A 8 12.275 22.100 22.376 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 12.331 20.661 21.856 1.00 16.83 C ATOM 88 H LEU A 8 11.616 24.951 19.554 1.00 0.00 H ATOM 89 N ALA A 9 14.391 25.263 21.307 1.00 10.92 N ATOM 90 CA ALA A 9 15.745 25.659 21.701 1.00 11.36 C ATOM 91 C ALA A 9 15.756 26.946 22.545 1.00 12.02 C ATOM 92 O ALA A 9 16.428 26.991 23.574 1.00 11.55 O ATOM 93 CB ALA A 9 16.615 25.826 20.446 1.00 13.31 C ATOM 94 H ALA A 9 14.201 25.179 20.317 1.00 0.00 H ATOM 95 N ARG A 10 14.959 27.957 22.155 1.00 11.89 N ATOM 96 CA ARG A 10 14.794 29.204 22.903 1.00 12.26 C ATOM 97 C ARG A 10 13.939 29.024 24.170 1.00 11.30 C ATOM 98 O ARG A 10 14.198 29.715 25.153 1.00 13.37 O ATOM 99 CB ARG A 10 14.115 30.261 22.011 1.00 15.41 C ATOM 100 CG ARG A 10 15.022 30.785 20.884 1.00 17.40 C ATOM 101 CD ARG A 10 14.393 31.949 20.107 1.00 21.37 C ATOM 102 NE ARG A 10 13.186 31.525 19.381 1.00 20.21 N ATOM 103 CZ ARG A 10 13.126 31.142 18.095 1.00 19.83 C ATOM 104 NH1 ARG A 10 14.223 31.089 17.327 1.00 20.32 N ATOM 105 NH2 ARG A 10 11.941 30.802 17.571 1.00 23.03 N1+ ATOM 106 H ARG A 10 14.424 27.847 21.304 1.00 0.00 H ATOM 107 HE ARG A 10 12.332 31.518 19.920 1.00 0.00 H ATOM 108 HH12 ARG A 10 14.160 30.829 16.354 1.00 0.00 H ATOM 109 HH11 ARG A 10 15.129 31.312 17.721 1.00 0.00 H ATOM 110 HH22 ARG A 10 11.870 30.517 16.604 1.00 0.00 H ATOM 111 HH21 ARG A 10 11.102 30.841 18.131 1.00 0.00 H ATOM 112 N THR A 11 12.958 28.102 24.176 1.00 11.61 N ATOM 113 CA THR A 11 12.101 27.820 25.335 1.00 11.60 C ATOM 114 C THR A 11 12.907 27.118 26.442 1.00 11.46 C ATOM 115 O THR A 11 12.797 27.509 27.603 1.00 12.79 O ATOM 116 CB THR A 11 10.888 26.949 24.910 1.00 13.51 C ATOM 117 OG1 THR A 11 10.081 27.691 24.016 1.00 15.51 O ATOM 118 CG2 THR A 11 9.955 26.549 26.069 1.00 15.20 C ATOM 119 H THR A 11 12.806 27.556 23.339 1.00 0.00 H ATOM 120 HG1 THR A 11 10.546 27.771 23.193 1.00 0.00 H ATOM 121 N LEU A 12 13.749 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 23.058 25.904 1.00 12.75 C ATOM 127 CD1 LEU A 12 15.069 22.010 25.062 1.00 17.07 C ATOM 128 CD2 LEU A 12 13.668 22.396 27.122 1.00 16.49 C ATOM 129 H LEU A 12 13.784 25.863 25.109 1.00 0.00 H ATOM 130 N LYS A 13 16.257 27.292 26.751 1.00 11.39 N ATOM 131 CA LYS A 13 17.253 28.275 27.185 1.00 11.97 C ATOM 132 C LYS A 13 16.678 29.287 28.197 1.00 12.47 C ATOM 133 O LYS A 13 17.370 29.611 29.162 1.00 13.70 O ATOM 134 CB LYS A 13 17.851 29.003 25.960 1.00 16.60 C ATOM 135 CG LYS A 13 18.973 29.997 26.337 1.00 22.62 C ATOM 136 CD LYS A 13 20.166 30.002 25.374 1.00 30.87 C ATOM 137 CE LYS A 13 21.275 30.957 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 22.551 30.506 24.287 1.00 0.00 H ATOM 141 HZ2 LYS A 13 23.286 31.254 25.566 1.00 0.00 H ATOM 142 HZ3 LYS A 13 22.852 29.668 25.671 1.00 0.00 H ATOM 143 N ARG A 14 15.416 29.732 28.031 1.00 12.34 N ATOM 144 CA ARG A 14 14.722 30.598 28.994 1.00 12.96 C ATOM 145 C ARG A 14 14.399 29.871 30.310 1.00 11.94 C ATOM 146 O ARG A 14 14.406 30.505 31.364 1.00 14.46 O ATOM 147 CB AARG A 14 13.391 31.111 28.410 0.70 15.74 C ATOM 148 CB BARG A 14 13.623 31.319 28.361 0.30 15.28 C ATOM 149 CG AARG A 14 13.547 32.233 27.372 0.70 21.21 C ATOM 150 CG BARG A 14 14.058 32.408 27.351 0.30 19.21 C ATOM 151 CD AARG A 14 12.220 32.944 27.061 0.70 28.16 C ATOM 152 CD BARG A 14 15.036 33.371 28.016 0.30 26.84 C ATOM 153 NE AARG A 14 11.170 31.996 26.657 0.70 30.61 N ATOM 154 NE BARG A 14 15.209 34.596 27.262 0.30 35.78 N ATOM 155 CZ AARG A 14 10.860 31.634 25.402 0.70 30.91 C ATOM 156 CZ BARG A 14 14.338 35.577 27.122 0.30 33.72 C ATOM 157 NH1AARG A 14 11.525 32.126 24.347 0.70 32.12 N ATOM 158 NH1BARG A 14 13.846 35.867 25.919 0.30 36.51 N ATOM 159 NH2AARG A 14 9.870 30.756 25.203 0.70 31.46 N1+ ATOM 160 NH2BARG A 14 13.965 36.331 28.153 0.30 28.73 N1+ ATOM 161 H ARG A 14 14.901 29.430 27.215 1.00 0.00 H ATOM 162 HE AARG A 14 10.654 31.573 27.416 0.70 0.00 H ATOM 163 HE BARG A 14 16.112 34.655 26.814 0.30 0.00 H ATOM 164 HH12AARG A 14 11.275 31.853 23.409 0.70 0.00 H ATOM 165 HH12BARG A 14 13.179 36.618 25.814 0.30 0.00 H ATOM 166 HH11AARG A 14 12.279 32.782 24.492 0.70 0.00 H ATOM 167 HH11BARG A 14 14.140 35.336 25.112 0.30 0.00 H ATOM 168 HH22AARG A 14 9.635 30.445 24.271 0.70 0.00 H ATOM 169 HH22BARG A 14 13.296 37.076 28.018 0.30 0.00 H ATOM 170 HH21AARG A 14 9.359 30.375 25.986 0.70 0.00 H ATOM 171 HH21BARG A 14 14.351 36.159 29.070 0.30 0.00 H ATOM 172 N LEU A 15 14.149 28.553 30.254 1.00 11.41 N ATOM 173 CA LEU A 15 13.910 27.702 31.419 1.00 11.71 C ATOM 174 C LEU A 15 15.227 27.164 32.027 1.00 12.33 C ATOM 175 O LEU A 15 15.173 26.344 32.941 1.00 15.00 O ATOM 176 CB LEU A 15 12.990 26.530 31.008 1.00 13.70 C ATOM 177 CG LEU A 15 11.555 26.941 30.599 1.00 15.21 C ATOM 178 CD1 LEU A 15 10.825 25.778 29.911 1.00 16.24 C ATOM 179 CD2 LEU A 15 10.729 27.444 31.795 1.00 20.49 C ATOM 180 H LEU A 15 14.145 28.106 29.348 1.00 0.00 H ATOM 181 N GLY A 16 16.398 27.659 31.583 1.00 12.66 N ATOM 182 CA GLY A 16 17.693 27.491 32.241 1.00 13.48 C ATOM 183 C GLY A 16 18.378 26.136 32.032 1.00 12.84 C ATOM 184 O GLY A 16 19.131 25.711 32.908 1.00 15.76 O ATOM 185 H GLY A 16 16.364 28.321 30.820 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 26.752 26.905 1.00 19.56 C ATOM 201 OD1 ASP A 18 23.642 25.702 26.586 1.00 20.72 O ATOM 202 OD2 ASP A 18 23.340 27.907 26.526 1.00 29.13 O1- ATOM 203 H ASP A 18 19.850 26.049 29.314 1.00 0.00 H ATOM 204 N GLY A 19 23.697 24.331 29.787 1.00 12.95 N ATOM 205 CA GLY A 19 24.774 24.116 30.746 1.00 15.05 C ATOM 206 C GLY A 19 24.325 23.552 32.102 1.00 12.69 C ATOM 207 O GLY A 19 25.160 23.475 33.003 1.00 15.26 O ATOM 208 H GLY A 19 23.517 23.578 29.136 1.00 0.00 H ATOM 209 N TYR A 20 23.045 23.156 32.268 1.00 13.11 N ATOM 210 CA TYR A 20 22.514 22.597 33.516 1.00 11.95 C ATOM 211 C TYR A 20 23.117 21.206 33.753 1.00 11.72 C ATOM 212 O TYR A 20 22.906 20.300 32.947 1.00 12.45 O ATOM 213 CB TYR A 20 20.973 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 26.129 18.343 34.072 1.00 14.35 O ATOM 227 CB ARG A 21 23.682 18.693 35.575 1.00 16.78 C ATOM 228 CG ARG A 21 23.016 18.849 36.958 1.00 25.30 C ATOM 229 CD ARG A 21 23.882 18.300 38.102 1.00 33.61 C ATOM 230 NE ARG A 21 23.987 16.839 37.994 1.00 56.79 N ATOM 231 CZ ARG A 21 24.916 16.031 38.526 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 39.691 1.00 0.00 H ATOM 237 HH11 ARG A 21 25.956 17.499 39.488 1.00 0.00 H ATOM 238 HH22 ARG A 21 25.529 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 33.464 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 19.808 30.107 1.00 12.81 O ATOM 244 H GLY A 22 25.868 21.441 33.627 1.00 0.00 H ATOM 245 N ILE A 23 25.355 19.829 30.897 1.00 11.07 N ATOM 246 CA ILE A 23 24.694 19.370 29.675 1.00 11.77 C ATOM 247 C ILE A 23 24.320 20.615 28.857 1.00 10.74 C ATOM 248 O ILE A 23 23.502 21.425 29.292 1.00 12.48 O ATOM 249 CB ILE A 23 23.405 18.575 30.040 1.00 10.86 C ATOM 250 CG1 ILE A 23 23.696 17.379 30.980 1.00 12.80 C ATOM 251 CG2 ILE A 23 22.668 18.068 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 24.903 20.734 27.654 1.00 11.50 N ATOM 255 CA SER A 24 24.614 21.784 26.679 1.00 11.97 C ATOM 256 C SER A 24 23.193 21.647 26.104 1.00 11.84 C ATOM 257 O SER A 24 22.622 20.554 26.077 1.00 11.40 O ATOM 258 CB SER A 24 25.672 21.722 25.553 1.00 12.92 C ATOM 259 OG SER A 24 25.511 20.610 24.689 1.00 13.62 O ATOM 260 H SER A 24 25.562 20.023 27.373 1.00 0.00 H ATOM 261 HG SER A 24 26.164 20.667 24.007 1.00 0.00 H ATOM 262 N LEU A 25 22.646 22.768 25.613 1.00 12.17 N ATOM 263 CA LEU A 25 21.343 22.864 24.953 1.00 12.23 C ATOM 264 C LEU A 25 21.202 21.941 23.726 1.00 12.01 C ATOM 265 O LEU A 25 20.113 21.436 23.471 1.00 12.74 O ATOM 266 CB ALEU A 25 21.118 24.343 24.592 0.60 14.96 C ATOM 267 CB BLEU A 25 21.113 24.252 24.416 0.40 14.11 C ATOM 268 CG ALEU A 25 19.773 24.695 23.929 0.60 13.26 C ATOM 269 CG BLEU A 25 20.522 25.236 25.409 0.40 14.92 C ATOM 270 CD1ALEU A 25 18.571 24.388 24.831 0.60 18.00 C ATOM 271 CD1BLEU A 25 20.169 26.550 24.693 0.40 24.21 C ATOM 272 CD2ALEU A 25 19.780 26.170 23.521 0.60 15.14 C ATOM 273 CD2BLEU A 25 19.278 24.653 26.059 0.40 17.27 C ATOM 274 H LEU A 25 23.168 23.630 25.706 1.00 0.00 H ATOM 275 N ALA A 26 22.308 21.680 23.009 1.00 11.62 N ATOM 276 CA ALA A 26 22.391 20.793 21.851 1.00 12.16 C ATOM 277 C ALA A 26 22.151 19.311 22.195 1.00 12.03 C ATOM 278 O ALA A 26 21.562 18.595 21.386 1.00 12.52 O ATOM 279 CB ALA A 26 23.790 20.958 21.243 1.00 14.36 C ATOM 280 H ALA A 26 23.166 22.121 23.307 1.00 0.00 H ATOM 281 N ASN A 27 22.557 18.866 23.399 1.00 11.30 N ATOM 282 CA ASN A 27 22.317 17.516 23.917 1.00 11.72 C ATOM 283 C ASN A 27 20.892 17.338 24.470 1.00 11.31 C ATOM 284 O ASN A 27 20.350 16.238 24.359 1.00 12.02 O ATOM 285 CB ASN A 27 23.326 17.198 25.045 1.00 11.67 C ATOM 286 CG ASN A 27 24.685 16.762 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 25.718 17.586 24.665 1.00 15.94 N ATOM 289 H ASN A 27 23.015 19.523 24.017 1.00 0.00 H ATOM 290 HD22 ASN A 27 26.627 17.323 24.311 1.00 0.00 H ATOM 291 HD21 ASN A 27 25.585 18.485 25.109 1.00 0.00 H ATOM 292 N TRP A 28 20.267 18.404 25.003 1.00 10.26 N ATOM 293 CA TRP A 28 18.860 18.413 25.420 1.00 10.77 C ATOM 294 C TRP A 28 17.907 18.410 24.215 1.00 11.26 C ATOM 295 O TRP A 28 16.847 17.788 24.273 1.00 11.17 O ATOM 296 CB TRP A 28 18.565 19.681 26.244 1.00 10.49 C ATOM 297 CG TRP A 28 19.087 19.689 27.645 1.00 10.02 C ATOM 298 CD1 TRP A 28 19.979 20.569 28.149 1.00 12.17 C ATOM 299 CD2 TRP A 28 18.721 18.811 28.751 1.00 10.69 C ATOM 300 NE1 TRP A 28 20.180 20.307 29.486 1.00 12.53 N ATOM 301 CE2 TRP A 28 19.411 19.250 29.921 1.00 11.35 C ATOM 302 CE3 TRP A 28 17.857 17.699 28.894 1.00 12.47 C ATOM 303 CZ2 TRP A 28 19.232 18.640 31.173 1.00 13.34 C ATOM 304 CZ3 TRP A 28 17.677 17.069 30.141 1.00 14.07 C ATOM 305 CH2 TRP A 28 18.351 17.549 31.282 1.00 14.86 C ATOM 306 H TRP A 28 20.779 19.273 25.075 1.00 0.00 H ATOM 307 HE1 TRP A 28 20.795 20.873 30.056 1.00 0.00 H ATOM 308 N MET A 29 18.302 19.083 23.122 1.00 10.67 N ATOM 309 CA MET A 29 17.566 19.143 21.866 1.00 10.61 C ATOM 310 C MET A 29 17.691 17.833 21.074 1.00 11.13 C ATOM 311 O MET A 29 16.724 17.438 20.426 1.00 11.94 O ATOM 312 CB MET A 29 18.132 20.297 21.015 1.00 11.54 C ATOM 313 CG MET A 29 17.594 21.683 21.400 1.00 12.10 C ATOM 314 SD MET A 29 15.807 21.916 21.205 1.00 14.40 S ATOM 315 CE MET A 29 15.600 21.604 19.435 1.00 17.16 C ATOM 316 H MET A 29 19.172 19.596 23.171 1.00 0.00 H ATOM 317 N CYS A 30 18.839 17.135 21.161 1.00 11.31 N ATOM 318 CA CYS A 30 19.035 15.806 20.582 1.00 11.47 C ATOM 319 C CYS A 30 18.188 14.757 21.325 1.00 12.45 C ATOM 320 O CYS A 30 17.545 13.936 20.672 1.00 12.88 O ATOM 321 CB CYS A 30 20.530 15.434 20.628 1.00 12.22 C ATOM 322 SG CYS A 30 20.941 13.900 19.749 1.00 13.65 S ATOM 323 H CYS A 30 19.601 17.529 21.694 1.00 0.00 H ATOM 324 N LEU A 31 18.132 14.823 22.670 1.00 11.57 N ATOM 325 CA LEU A 31 17.282 13.988 23.522 1.00 12.27 C ATOM 326 C LEU A 31 15.795 14.127 23.152 1.00 11.08 C ATOM 327 O LEU A 31 15.148 13.122 22.871 1.00 12.30 O ATOM 328 CB LEU A 31 17.539 14.326 25.012 1.00 13.03 C ATOM 329 CG LEU A 31 16.633 13.595 26.035 1.00 12.69 C ATOM 330 CD1 LEU A 31 16.905 12.087 26.077 1.00 15.53 C ATOM 331 CD2 LEU A 31 16.765 14.209 27.434 1.00 16.22 C ATOM 332 H LEU A 31 18.694 15.524 23.134 1.00 0.00 H ATOM 333 N ALA A 32 15.275 15.365 23.113 1.00 11.51 N ATOM 334 CA ALA A 32 13.875 15.678 22.821 1.00 11.12 C ATOM 335 C ALA A 32 13.431 15.284 21.400 1.00 11.09 C ATOM 336 O ALA A 32 12.265 14.935 21.208 1.00 13.12 O ATOM 337 CB ALA A 32 13.657 17.184 23.023 1.00 12.81 C ATOM 338 H ALA A 32 15.879 16.142 23.349 1.00 0.00 H ATOM 339 N LYS A 33 14.357 15.303 20.424 1.00 10.96 N ATOM 340 CA LYS A 33 14.105 14.937 19.032 1.00 12.88 C ATOM 341 C LYS A 33 13.901 13.425 18.877 1.00 12.92 C ATOM 342 O LYS A 33 12.998 13.010 18.154 1.00 14.54 O ATOM 343 CB LYS A 33 15.300 15.385 18.154 1.00 14.78 C ATOM 344 CG LYS A 33 15.003 15.352 16.642 1.00 24.35 C ATOM 345 CD LYS A 33 15.452 14.065 15.924 1.00 31.88 C ATOM 346 CE LYS A 33 14.633 13.765 14.661 1.00 43.51 C ATOM 347 NZ LYS A 33 14.754 14.839 13.661 1.00 44.62 N1+ ATOM 348 H LYS A 33 15.296 15.593 20.664 1.00 0.00 H ATOM 349 HZ1 LYS A 33 14.419 15.706 14.057 1.00 0.00 H ATOM 350 HZ2 LYS A 33 15.722 14.943 13.394 1.00 0.00 H ATOM 351 HZ3 LYS A 33 14.203 14.607 12.847 1.00 0.00 H ATOM 352 N TRP A 34 14.742 12.608 19.529 1.00 12.70 N ATOM 353 CA TRP A 34 14.748 11.156 19.360 1.00 13.46 C ATOM 354 C TRP A 34 13.862 10.415 20.368 1.00 13.18 C ATOM 355 O TRP A 34 13.552 9.249 20.130 1.00 18.23 O ATOM 356 CB TRP A 34 16.201 10.659 19.454 1.00 14.44 C ATOM 357 CG TRP A 34 17.000 11.036 18.243 1.00 13.70 C ATOM 358 CD1 TRP A 34 18.055 11.879 18.215 1.00 14.63 C ATOM 359 CD2 TRP A 34 16.777 10.631 16.858 1.00 16.12 C ATOM 360 NE1 TRP A 34 18.479 12.048 16.915 1.00 17.71 N ATOM 361 CE2 TRP A 34 17.724 11.307 16.031 1.00 16.71 C ATOM 362 CE3 TRP A 34 15.858 9.772 16.209 1.00 17.51 C ATOM 363 CZ2 TRP A 34 17.749 11.154 14.635 1.00 23.07 C ATOM 364 CZ3 TRP A 34 15.874 9.608 14.809 1.00 23.60 C ATOM 365 CH2 TRP A 34 16.815 10.300 14.022 1.00 24.86 C ATOM 366 H TRP A 34 15.462 13.016 20.111 1.00 0.00 H ATOM 367 HE1 TRP A 34 19.229 12.681 16.664 1.00 0.00 H ATOM 368 N GLU A 35 13.407 11.082 21.441 1.00 12.38 N ATOM 369 CA GLU A 35 12.441 10.526 22.384 1.00 13.11 C ATOM 370 C GLU A 35 11.001 10.763 21.896 1.00 13.40 C ATOM 371 O GLU A 35 10.178 9.859 22.030 1.00 14.31 O ATOM 372 CB GLU A 35 12.618 11.217 23.758 1.00 13.51 C ATOM 373 CG GLU A 35 13.860 10.751 24.554 1.00 13.78 C ATOM 374 CD GLU A 35 13.844 9.296 25.042 1.00 15.30 C ATOM 375 OE1 GLU A 35 12.846 8.584 24.798 1.00 17.48 O ATOM 376 OE2 GLU A 35 14.862 8.908 25.653 1.00 19.70 O1- ATOM 377 H GLU A 35 13.732 12.025 21.603 1.00 0.00 H ATOM 378 N SER A 36 10.686 11.941 21.325 1.00 13.52 N ATOM 379 CA SER A 36 9.307 12.359 21.045 1.00 13.25 C ATOM 380 C SER A 36 9.068 13.005 19.673 1.00 13.07 C ATOM 381 O SER A 36 7.910 13.135 19.276 1.00 15.89 O ATOM 382 CB SER A 36 8.808 13.245 22.200 1.00 13.02 C ATOM 383 OG SER A 36 9.354 14.546 22.097 1.00 13.33 O ATOM 384 H SER A 36 11.415 12.632 21.222 1.00 0.00 H ATOM 385 HG SER A 36 10.274 14.505 22.318 1.00 0.00 H ATOM 386 N GLY A 37 10.121 13.468 18.981 1.00 14.49 N ATOM 387 CA GLY A 37 9.994 14.312 17.791 1.00 14.62 C ATOM 388 C GLY A 37 9.545 15.748 18.106 1.00 12.70 C ATOM 389 O GLY A 37 8.975 16.404 17.236 1.00 16.12 O ATOM 390 H GLY A 37 11.052 13.306 19.336 1.00 0.00 H ATOM 391 N TYR A 38 9.757 16.204 19.355 1.00 12.50 N ATOM 392 CA TYR A 38 9.408 17.516 19.912 1.00 12.41 C ATOM 393 C TYR A 38 7.939 17.616 20.377 1.00 12.36 C ATOM 394 O TYR A 38 7.436 18.721 20.580 1.00 15.84 O ATOM 395 CB TYR A 38 9.859 18.701 19.021 1.00 13.48 C ATOM 396 CG TYR A 38 11.299 18.706 18.533 1.00 12.71 C ATOM 397 CD1 TYR A 38 12.362 18.410 19.412 1.00 13.92 C ATOM 398 CD2 TYR A 38 11.582 19.047 17.194 1.00 15.27 C ATOM 399 CE1 TYR A 38 13.692 18.478 18.962 1.00 14.18 C ATOM 400 CE2 TYR A 38 12.914 19.096 16.738 1.00 16.12 C ATOM 401 CZ TYR A 38 13.972 18.814 17.624 1.00 14.45 C ATOM 402 OH TYR A 38 15.263 18.868 17.186 1.00 16.66 O ATOM 403 H TYR A 38 10.212 15.567 19.995 1.00 0.00 H ATOM 404 HH TYR A 38 15.885 18.636 17.860 1.00 0.00 H ATOM 405 N ASN A 39 7.252 16.470 20.527 1.00 13.71 N ATOM 406 CA ASN A 39 5.831 16.357 20.849 1.00 13.00 C ATOM 407 C ASN A 39 5.658 16.170 22.365 1.00 12.31 C ATOM 408 O ASN A 39 6.109 15.175 22.931 1.00 13.82 O ATOM 409 CB ASN A 39 5.298 15.110 20.101 1.00 14.34 C ATOM 410 CG ASN A 39 3.779 14.905 20.177 1.00 15.85 C ATOM 411 OD1 ASN A 39 3.024 15.816 20.515 1.00 15.88 O ATOM 412 ND2 ASN A 39 3.327 13.685 19.887 1.00 20.01 N ATOM 413 H ASN A 39 7.751 15.605 20.373 1.00 0.00 H ATOM 414 HD22 ASN A 39 2.336 13.495 19.927 1.00 0.00 H ATOM 415 HD21 ASN A 39 3.973 12.956 19.619 1.00 0.00 H ATOM 416 N THR A 40 4.937 17.104 23.006 1.00 11.81 N ATOM 417 CA THR A 40 4.578 17.053 24.425 1.00 12.68 C ATOM 418 C THR A 40 3.457 16.040 24.722 1.00 12.56 C ATOM 419 O THR A 40 3.303 15.648 25.873 1.00 15.38 O ATOM 420 CB THR A 40 4.124 18.453 24.913 1.00 13.66 C ATOM 421 OG1 THR A 40 2.878 18.862 24.376 1.00 14.74 O ATOM 422 CG2 THR A 40 5.151 19.565 24.687 1.00 15.36 C ATOM 423 H THR A 40 4.588 17.891 22.473 1.00 0.00 H ATOM 424 HG1 THR A 40 2.514 19.514 24.958 1.00 0.00 H ATOM 425 N ARG A 41 2.680 15.615 23.712 1.00 13.38 N ATOM 426 CA ARG A 41 1.553 14.697 23.872 1.00 16.46 C ATOM 427 C ARG A 41 1.994 13.221 23.726 1.00 15.27 C ATOM 428 O ARG A 41 1.165 12.324 23.880 1.00 19.49 O ATOM 429 CB AARG A 41 0.523 15.027 22.767 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 -0.910 14.594 23.128 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 -1.871 14.553 21.929 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 -2.549 13.250 21.871 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 -3.642 12.896 22.569 0.50 39.71 C ATOM 438 CZ BARG A 41 0.547 10.269 22.215 0.50 46.49 C ATOM 439 NH1AARG A 41 -4.290 13.772 23.351 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 -4.084 11.635 22.491 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 2.868 15.965 22.782 1.00 0.00 H ATOM 444 HE AARG A 41 -2.089 12.545 21.313 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 -5.106 13.490 23.875 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 -3.961 14.724 23.421 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 -4.899 11.345 23.011 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 -3.604 10.959 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 ALA A 42 3.282 12.959 23.435 1.00 15.38 N ATOM 455 CA ALA A 42 3.852 11.632 23.212 1.00 15.24 C ATOM 456 C ALA A 42 3.749 10.740 24.459 1.00 14.57 C ATOM 457 O ALA A 42 4.082 11.168 25.565 1.00 14.15 O ATOM 458 CB ALA A 42 5.323 11.790 22.801 1.00 19.09 C ATOM 459 H ALA A 42 3.912 13.744 23.352 1.00 0.00 H ATOM 460 N THR A 43 3.297 9.496 24.252 1.00 16.63 N ATOM 461 CA THR A 43 3.194 8.437 25.252 1.00 16.63 C ATOM 462 C THR A 43 3.666 7.110 24.652 1.00 17.66 C ATOM 463 O THR A 43 3.374 6.812 23.493 1.00 23.52 O ATOM 464 CB THR A 43 1.787 8.360 25.901 1.00 21.44 C ATOM 465 OG1 THR A 43 0.793 8.046 24.943 1.00 28.38 O ATOM 466 CG2 THR A 43 1.372 9.610 26.687 1.00 24.72 C ATOM 467 H THR A 43 3.040 9.236 23.311 1.00 0.00 H ATOM 468 HG1 THR A 43 1.029 7.234 24.518 1.00 0.00 H ATOM 469 N ASN A 44 4.363 6.309 25.466 1.00 17.38 N ATOM 470 CA ASN A 44 4.850 4.976 25.134 1.00 17.36 C ATOM 471 C ASN A 44 4.629 4.086 26.356 1.00 16.77 C ATOM 472 O ASN A 44 5.297 4.268 27.372 1.00 16.39 O ATOM 473 CB ASN A 44 6.324 5.066 24.675 1.00 21.27 C ATOM 474 CG ASN A 44 6.936 3.707 24.327 1.00 33.34 C ATOM 475 OD1 ASN A 44 6.485 3.039 23.400 1.00 40.32 O ATOM 476 ND2 ASN A 44 7.936 3.278 25.101 1.00 43.32 N ATOM 477 H ASN A 44 4.574 6.645 26.397 1.00 0.00 H ATOM 478 HD22 ASN A 44 8.350 2.373 24.934 1.00 0.00 H ATOM 479 HD21 ASN A 44 8.261 3.842 25.879 1.00 0.00 H ATOM 480 N TYR A 45 3.718 3.107 26.237 1.00 20.06 N ATOM 481 CA TYR A 45 3.501 2.074 27.244 1.00 19.26 C ATOM 482 C TYR A 45 4.515 0.947 27.014 1.00 18.33 C ATOM 483 O TYR A 45 4.613 0.396 25.916 1.00 21.79 O ATOM 484 CB TYR A 45 2.075 1.499 27.094 1.00 21.83 C ATOM 485 CG TYR A 45 1.729 0.404 28.095 1.00 20.44 C ATOM 486 CD1 TYR A 45 1.814 0.661 29.478 1.00 22.19 C ATOM 487 CD2 TYR A 45 1.348 -0.881 27.653 1.00 22.96 C ATOM 488 CE1 TYR A 45 1.515 -0.343 30.415 1.00 21.20 C ATOM 489 CE2 TYR A 45 1.046 -1.889 28.589 1.00 22.77 C ATOM 490 CZ TYR A 45 1.130 -1.620 29.970 1.00 22.00 C ATOM 491 OH TYR A 45 0.836 -2.596 30.875 1.00 25.95 O ATOM 492 H TYR A 45 3.222 3.012 25.363 1.00 0.00 H ATOM 493 HH TYR A 45 0.876 -2.292 31.768 1.00 0.00 H ATOM 494 N ASN A 46 5.244 0.606 28.081 1.00 17.53 N ATOM 495 CA ASN A 46 6.195 -0.495 28.143 1.00 18.07 C ATOM 496 C ASN A 46 5.448 -1.662 28.799 1.00 16.83 C ATOM 497 O ASN A 46 5.255 -1.684 30.014 1.00 18.09 O ATOM 498 CB ASN A 46 7.394 -0.070 29.023 1.00 19.02 C ATOM 499 CG ASN A 46 8.133 1.145 28.453 1.00 21.80 C ATOM 500 OD1 ASN A 46 8.721 1.066 27.377 1.00 27.14 O ATOM 501 ND2 ASN A 46 8.068 2.282 29.150 1.00 24.42 N ATOM 502 H ASN A 46 5.083 1.106 28.947 1.00 0.00 H ATOM 503 HD22 ASN A 46 8.506 3.118 28.777 1.00 0.00 H ATOM 504 HD21 ASN A 46 7.580 2.310 30.034 1.00 0.00 H ATOM 505 N ALA A 47 4.996 -2.620 27.975 1.00 19.59 N ATOM 506 CA ALA A 47 4.173 -3.759 28.387 1.00 23.80 C ATOM 507 C ALA A 47 4.933 -4.801 29.224 1.00 22.64 C ATOM 508 O ALA A 47 4.301 -5.555 29.965 1.00 24.61 O ATOM 509 CB ALA A 47 3.629 -4.439 27.120 1.00 27.76 C ATOM 510 H ALA A 47 5.177 -2.518 26.986 1.00 0.00 H ATOM 511 N GLY A 48 6.274 -4.827 29.133 1.00 19.99 N ATOM 512 CA GLY A 48 7.141 -5.764 29.840 1.00 22.07 C ATOM 513 C GLY A 48 7.292 -5.488 31.341 1.00 19.81 C ATOM 514 O GLY A 48 7.541 -6.430 32.093 1.00 24.08 O ATOM 515 H GLY A 48 6.718 -4.164 28.514 1.00 0.00 H ATOM 516 N ASP A 49 7.116 -4.230 31.782 1.00 18.77 N ATOM 517 CA ASP A 49 7.280 -3.802 33.175 1.00 20.35 C ATOM 518 C ASP A 49 6.077 -2.993 33.694 1.00 17.80 C ATOM 519 O ASP A 49 5.997 -2.752 34.895 1.00 21.18 O ATOM 520 CB ASP A 49 8.665 -3.126 33.370 1.00 20.26 C ATOM 521 CG ASP A 49 8.841 -1.706 32.808 1.00 24.33 C ATOM 522 OD1 ASP A 49 7.969 -1.250 32.037 1.00 19.65 O ATOM 523 OD2 ASP A 49 9.836 -1.068 33.214 1.00 32.10 O1- ATOM 524 H ASP A 49 6.923 -3.508 31.101 1.00 0.00 H ATOM 525 N ARG A 50 5.148 -2.581 32.814 1.00 19.86 N ATOM 526 CA ARG A 50 3.881 -1.901 33.106 1.00 19.68 C ATOM 527 C ARG A 50 4.022 -0.394 33.389 1.00 18.06 C ATOM 528 O ARG A 50 3.069 0.228 33.860 1.00 22.50 O ATOM 529 CB ARG A 50 2.993 -2.664 34.121 1.00 26.39 C ATOM 530 CG ARG A 50 2.644 -4.090 33.667 1.00 33.44 C ATOM 531 CD ARG A 50 1.817 -4.862 34.706 1.00 35.73 C ATOM 532 NE ARG A 50 2.629 -5.901 35.356 1.00 39.51 N ATOM 533 CZ ARG A 50 2.174 -7.045 35.895 1.00 35.58 C ATOM 534 NH1 ARG A 50 0.868 -7.348 35.903 1.00 54.84 N ATOM 535 NH2 ARG A 50 3.048 -7.902 36.438 1.00 33.65 N1+ ATOM 536 H ARG A 50 5.321 -2.777 31.837 1.00 0.00 H ATOM 537 HE ARG A 50 3.618 -5.707 35.412 1.00 0.00 H ATOM 538 HH12 ARG A 50 0.540 -8.211 36.312 1.00 0.00 H ATOM 539 HH11 ARG A 50 0.200 -6.708 35.498 1.00 0.00 H ATOM 540 HH22 ARG A 50 2.729 -8.767 36.849 1.00 0.00 H ATOM 541 HH21 ARG A 50 4.037 -7.695 36.435 1.00 0.00 H ATOM 542 N SER A 51 5.189 0.197 33.083 1.00 16.75 N ATOM 543 CA SER A 51 5.433 1.636 33.153 1.00 15.62 C ATOM 544 C SER A 51 5.037 2.313 31.830 1.00 15.04 C ATOM 545 O SER A 51 4.919 1.659 30.792 1.00 16.06 O ATOM 546 CB SER A 51 6.931 1.878 33.446 1.00 14.40 C ATOM 547 OG SER A 51 7.788 1.559 32.365 1.00 15.71 O ATOM 548 H SER A 51 5.919 -0.375 32.679 1.00 0.00 H ATOM 549 HG SER A 51 7.819 0.613 32.258 1.00 0.00 H ATOM 550 N THR A 52 4.845 3.638 31.882 1.00 13.80 N ATOM 551 CA THR A 52 4.568 4.490 30.728 1.00 11.94 C ATOM 552 C THR A 52 5.571 5.648 30.747 1.00 12.46 C ATOM 553 O THR A 52 5.801 6.252 31.794 1.00 13.36 O ATOM 554 CB THR A 52 3.098 4.975 30.761 1.00 13.80 C ATOM 555 OG1 THR A 52 2.216 3.877 30.744 1.00 15.81 O ATOM 556 CG2 THR A 52 2.710 5.866 29.565 1.00 13.89 C ATOM 557 H THR A 52 4.959 4.105 32.770 1.00 0.00 H ATOM 558 HG1 THR A 52 2.410 3.336 31.496 1.00 0.00 H ATOM 559 N ASP A 53 6.137 5.967 29.577 1.00 12.43 N ATOM 560 CA ASP A 53 6.979 7.136 29.329 1.00 12.59 C ATOM 561 C ASP A 53 6.084 8.272 28.822 1.00 12.09 C ATOM 562 O ASP A 53 5.247 8.048 27.949 1.00 13.31 O ATOM 563 CB ASP A 53 7.998 6.803 28.224 1.00 14.50 C ATOM 564 CG ASP A 53 8.888 5.601 28.538 1.00 17.20 C ATOM 565 OD1 ASP A 53 9.460 5.586 29.649 1.00 20.85 O ATOM 566 OD2 ASP A 53 8.965 4.703 27.670 1.00 22.38 O1- ATOM 567 H ASP A 53 5.900 5.405 28.769 1.00 0.00 H ATOM 568 N TYR A 54 6.248 9.474 29.393 1.00 12.07 N ATOM 569 CA TYR A 54 5.378 10.630 29.183 1.00 11.10 C ATOM 570 C TYR A 54 6.164 11.853 28.709 1.00 11.14 C ATOM 571 O TYR A 54 7.210 12.188 29.266 1.00 11.73 O ATOM 572 CB TYR A 54 4.677 10.981 30.507 1.00 13.10 C ATOM 573 CG TYR A 54 3.637 9.982 30.962 1.00 11.22 C ATOM 574 CD1 TYR A 54 3.987 8.949 31.852 1.00 13.36 C ATOM 575 CD2 TYR A 54 2.304 10.108 30.524 1.00 13.72 C ATOM 576 CE1 TYR A 54 3.000 8.065 32.325 1.00 12.26 C ATOM 577 CE2 TYR A 54 1.320 9.211 30.978 1.00 13.52 C ATOM 578 CZ TYR A 54 1.667 8.191 31.883 1.00 12.36 C ATOM 579 OH TYR A 54 0.713 7.322 32.323 1.00 13.90 O ATOM 580 H TYR A 54 6.959 9.566 30.107 1.00 0.00 H ATOM 581 HH TYR A 54 1.049 6.705 32.966 1.00 0.00 H ATOM 582 N GLY A 55 5.585 12.572 27.741 1.00 12.01 N ATOM 583 CA GLY A 55 5.982 13.919 27.367 1.00 11.22 C ATOM 584 C GLY A 55 7.106 14.003 26.341 1.00 11.31 C ATOM 585 O GLY A 55 7.489 13.013 25.716 1.00 11.64 O ATOM 586 H GLY A 55 4.750 12.206 27.303 1.00 0.00 H ATOM 587 N ILE A 56 7.619 15.232 26.183 1.00 11.13 N ATOM 588 CA ILE A 56 8.657 15.625 25.230 1.00 11.06 C ATOM 589 C ILE A 56 10.033 14.976 25.504 1.00 10.21 C ATOM 590 O ILE A 56 10.831 14.831 24.579 1.00 12.58 O ATOM 591 CB ILE A 56 8.725 17.178 25.197 1.00 12.23 C ATOM 592 CG1 ILE A 56 9.492 17.703 23.965 1.00 12.28 C ATOM 593 CG2 ILE A 56 9.259 17.804 26.505 1.00 13.92 C ATOM 594 CD1 ILE A 56 9.156 19.156 23.606 1.00 18.90 C ATOM 595 H ILE A 56 7.229 15.972 26.748 1.00 0.00 H ATOM 596 N PHE A 57 10.296 14.565 26.755 1.00 10.80 N ATOM 597 CA PHE A 57 11.526 13.892 27.170 1.00 11.58 C ATOM 598 C PHE A 57 11.310 12.396 27.451 1.00 12.60 C ATOM 599 O PHE A 57 12.300 11.701 27.664 1.00 14.93 O ATOM 600 CB PHE A 57 12.054 14.577 28.449 1.00 13.21 C ATOM 601 CG PHE A 57 12.530 16.007 28.257 1.00 13.29 C ATOM 602 CD1 PHE A 57 13.534 16.300 27.308 1.00 15.83 C ATOM 603 CD2 PHE A 57 11.981 17.047 29.036 1.00 17.07 C ATOM 604 CE1 PHE A 57 13.985 17.623 27.140 1.00 21.11 C ATOM 605 CE2 PHE A 57 12.436 18.370 28.872 1.00 22.69 C ATOM 606 CZ PHE A 57 13.439 18.656 27.925 1.00 22.40 C ATOM 607 H PHE A 57 9.593 14.722 27.462 1.00 0.00 H ATOM 608 N GLN A 58 10.058 11.892 27.459 1.00 11.15 N ATOM 609 CA GLN A 58 9.687 10.481 27.666 1.00 11.59 C ATOM 610 C GLN A 58 10.120 9.976 29.054 1.00 12.28 C ATOM 611 O GLN A 58 10.815 8.969 29.186 1.00 16.38 O ATOM 612 CB GLN A 58 10.180 9.592 26.499 1.00 12.66 C ATOM 613 CG GLN A 58 9.404 9.807 25.190 1.00 12.90 C ATOM 614 CD GLN A 58 7.977 9.259 25.235 1.00 13.93 C ATOM 615 OE1 GLN A 58 7.764 8.056 25.124 1.00 15.93 O ATOM 616 NE2 GLN A 58 6.991 10.142 25.381 1.00 13.81 N ATOM 617 H GLN A 58 9.299 12.526 27.256 1.00 0.00 H ATOM 618 HE22 GLN A 58 6.034 9.822 25.425 1.00 0.00 H ATOM 619 HE21 GLN A 58 7.200 11.130 25.461 1.00 0.00 H ATOM 620 N ILE A 59 9.728 10.729 30.088 1.00 11.14 N ATOM 621 CA ILE A 59 10.047 10.499 31.493 1.00 12.69 C ATOM 622 C ILE A 59 9.122 9.388 32.026 1.00 11.92 C ATOM 623 O ILE A 59 7.899 9.472 31.906 1.00 12.81 O ATOM 624 CB ILE A 59 9.855 11.853 32.230 1.00 12.88 C ATOM 625 CG1 ILE A 59 10.983 12.842 31.842 1.00 16.58 C ATOM 626 CG2 ILE A 59 9.775 11.720 33.761 1.00 15.82 C ATOM 627 CD1 ILE A 59 10.702 14.309 32.201 1.00 20.06 C ATOM 628 H ILE A 59 9.141 11.527 29.883 1.00 0.00 H ATOM 629 N ASN A 60 9.744 8.342 32.592 1.00 13.13 N ATOM 630 CA ASN A 60 9.123 7.075 32.970 1.00 12.23 C ATOM 631 C ASN A 60 8.361 7.179 34.306 1.00 12.37 C ATOM 632 O ASN A 60 8.811 7.820 35.257 1.00 15.10 O ATOM 633 CB ASN A 60 10.258 6.034 33.093 1.00 14.92 C ATOM 634 CG ASN A 60 9.733 4.599 33.161 1.00 15.27 C ATOM 635 OD1 ASN A 60 9.632 4.028 34.243 1.00 18.11 O ATOM 636 ND2 ASN A 60 9.397 4.017 32.011 1.00 18.70 N ATOM 637 H ASN A 60 10.751 8.380 32.652 1.00 0.00 H ATOM 638 HD22 ASN A 60 9.028 3.073 32.017 1.00 0.00 H ATOM 639 HD21 ASN A 60 9.486 4.527 31.135 1.00 0.00 H ATOM 640 N GLY A 61 7.207 6.495 34.353 1.00 12.35 N ATOM 641 CA GLY A 61 6.251 6.475 35.453 1.00 12.09 C ATOM 642 C GLY A 61 6.598 5.562 36.639 1.00 13.49 C ATOM 643 O GLY A 61 5.861 5.580 37.624 1.00 15.29 O ATOM 644 H GLY A 61 6.919 6.022 33.507 1.00 0.00 H ATOM 645 N ARG A 62 7.689 4.774 36.581 1.00 15.46 N ATOM 646 CA ARG A 62 8.150 3.971 37.720 1.00 16.61 C ATOM 647 C ARG A 62 9.069 4.782 38.648 1.00 16.86 C ATOM 648 O ARG A 62 9.092 4.515 39.846 1.00 26.96 O ATOM 649 CB ARG A 62 8.922 2.726 37.221 1.00 19.91 C ATOM 650 CG ARG A 62 9.498 1.853 38.358 1.00 26.96 C ATOM 651 CD ARG A 62 9.812 0.418 37.935 1.00 41.99 C ATOM 652 NE ARG A 62 8.610 -0.415 38.068 1.00 38.78 N ATOM 653 CZ ARG A 62 7.877 -0.921 37.065 1.00 40.02 C ATOM 654 NH1 ARG A 62 8.204 -0.720 35.786 1.00 45.48 N ATOM 655 NH2 ARG A 62 6.787 -1.639 37.347 1.00 51.32 N1+ ATOM 656 H ARG A 62 8.249 4.770 35.739 1.00 0.00 H ATOM 657 HE ARG A 62 8.287 -0.573 39.013 1.00 0.00 H ATOM 658 HH12 ARG A 62 7.639 -1.120 35.050 1.00 0.00 H ATOM 659 HH11 ARG A 62 9.043 -0.215 35.535 1.00 0.00 H ATOM 660 HH22 ARG A 62 6.255 -2.063 36.594 1.00 0.00 H ATOM 661 HH21 ARG A 62 6.473 -1.729 38.303 1.00 0.00 H ATOM 662 N TYR A 63 9.844 5.738 38.118 1.00 17.34 N ATOM 663 CA TYR A 63 10.923 6.380 38.867 1.00 17.97 C ATOM 664 C TYR A 63 10.662 7.865 39.134 1.00 16.02 C ATOM 665 O TYR A 63 11.152 8.373 40.141 1.00 19.73 O ATOM 666 CB TYR A 63 12.237 6.196 38.086 1.00 25.58 C ATOM 667 CG TYR A 63 12.647 4.742 37.922 1.00 28.37 C ATOM 668 CD1 TYR A 63 13.054 3.990 39.044 1.00 32.48 C ATOM 669 CD2 TYR A 63 12.583 4.127 36.654 1.00 34.89 C ATOM 670 CE1 TYR A 63 13.385 2.628 38.900 1.00 37.71 C ATOM 671 CE2 TYR A 63 12.915 2.767 36.510 1.00 35.23 C ATOM 672 CZ TYR A 63 13.313 2.016 37.633 1.00 35.13 C ATOM 673 OH TYR A 63 13.622 0.694 37.498 1.00 45.56 O ATOM 674 H TYR A 63 9.776 5.925 37.128 1.00 0.00 H ATOM 675 HH TYR A 63 13.570 0.389 36.605 1.00 0.00 H ATOM 676 N TRP A 64 9.924 8.561 38.253 1.00 13.82 N ATOM 677 CA TRP A 64 9.962 10.022 38.155 1.00 13.15 C ATOM 678 C TRP A 64 8.607 10.684 38.404 1.00 11.80 C ATOM 679 O TRP A 64 8.524 11.549 39.273 1.00 15.36 O ATOM 680 CB TRP A 64 10.578 10.410 36.801 1.00 13.45 C ATOM 681 CG TRP A 64 11.954 9.862 36.577 1.00 14.00 C ATOM 682 CD1 TRP A 64 12.310 8.970 35.624 1.00 16.69 C ATOM 683 CD2 TRP A 64 13.156 10.112 37.364 1.00 15.23 C ATOM 684 NE1 TRP A 64 13.638 8.629 35.787 1.00 17.44 N ATOM 685 CE2 TRP A 64 14.206 9.285 36.861 1.00 15.85 C ATOM 686 CE3 TRP A 64 13.467 10.955 38.456 1.00 16.08 C ATOM 687 CZ2 TRP A 64 15.489 9.272 37.435 1.00 17.87 C ATOM 688 CZ3 TRP A 64 14.747 10.948 39.044 1.00 17.34 C ATOM 689 CH2 TRP A 64 15.754 10.106 38.537 1.00 18.86 C ATOM 690 H TRP A 64 9.509 8.065 37.476 1.00 0.00 H ATOM 691 HE1 TRP A 64 14.109 7.966 35.188 1.00 0.00 H ATOM 692 N CYS A 65 7.552 10.271 37.689 1.00 14.31 N ATOM 693 CA CYS A 65 6.187 10.779 37.857 1.00 12.60 C ATOM 694 C CYS A 65 5.263 9.644 38.317 1.00 14.32 C ATOM 695 O CYS A 65 5.587 8.471 38.138 1.00 14.95 O ATOM 696 CB CYS A 65 5.726 11.451 36.546 1.00 13.50 C ATOM 697 SG CYS A 65 5.485 10.382 35.092 1.00 14.34 S ATOM 698 H CYS A 65 7.686 9.539 37.007 1.00 0.00 H ATOM 699 N ASN A 66 4.106 9.992 38.901 1.00 13.49 N ATOM 700 CA ASN A 66 3.065 9.047 39.304 1.00 12.07 C ATOM 701 C ASN A 66 1.881 9.156 38.332 1.00 13.15 C ATOM 702 O ASN A 66 1.332 10.239 38.135 1.00 12.75 O ATOM 703 CB ASN A 66 2.602 9.421 40.731 1.00 15.96 C ATOM 704 CG ASN A 66 1.592 8.435 41.328 1.00 19.44 C ATOM 705 OD1 ASN A 66 1.808 7.226 41.302 1.00 21.93 O ATOM 706 ND2 ASN A 66 0.464 8.945 41.826 1.00 22.57 N ATOM 707 H ASN A 66 3.916 10.976 39.040 1.00 0.00 H ATOM 708 HD22 ASN A 66 -0.231 8.326 42.216 1.00 0.00 H ATOM 709 HD21 ASN A 66 0.309 9.942 41.815 1.00 0.00 H ATOM 710 N ASP A 67 1.462 8.009 37.776 1.00 12.42 N ATOM 711 CA ASP A 67 0.220 7.840 37.014 1.00 13.42 C ATOM 712 C ASP A 67 -0.781 6.951 37.784 1.00 13.40 C ATOM 713 O ASP A 67 -1.896 6.745 37.307 1.00 16.86 O ATOM 714 CB ASP A 67 0.533 7.280 35.601 1.00 12.34 C ATOM 715 CG ASP A 67 1.160 5.880 35.484 1.00 13.28 C ATOM 716 OD1 ASP A 67 1.406 5.227 36.523 1.00 14.28 O ATOM 717 OD2 ASP A 67 1.366 5.473 34.320 1.00 14.87 O1- ATOM 718 H ASP A 67 2.000 7.170 37.947 1.00 0.00 H ATOM 719 N GLY A 68 -0.391 6.434 38.963 1.00 13.31 N ATOM 720 CA GLY A 68 -1.201 5.617 39.861 1.00 14.71 C ATOM 721 C GLY A 68 -1.396 4.153 39.439 1.00 17.90 C ATOM 722 O GLY A 68 -2.001 3.403 40.204 1.00 27.90 O ATOM 723 H GLY A 68 0.543 6.653 39.280 1.00 0.00 H ATOM 724 N LYS A 69 -0.896 3.743 38.259 1.00 18.83 N ATOM 725 CA LYS A 69 -1.106 2.417 37.671 1.00 17.60 C ATOM 726 C LYS A 69 0.193 1.637 37.415 1.00 18.43 C ATOM 727 O LYS A 69 0.112 0.485 36.989 1.00 23.74 O ATOM 728 CB LYS A 69 -1.994 2.518 36.408 1.00 20.00 C ATOM 729 CG LYS A 69 -1.359 3.247 35.203 1.00 19.72 C ATOM 730 CD LYS A 69 -2.074 2.922 33.880 1.00 28.11 C ATOM 731 CE LYS A 69 -1.349 3.462 32.636 1.00 40.33 C ATOM 732 NZ LYS A 69 -1.506 4.919 32.496 1.00 48.89 N1+ ATOM 733 H LYS A 69 -0.388 4.416 37.699 1.00 0.00 H ATOM 734 HZ1 LYS A 69 -1.030 5.233 31.662 1.00 0.00 H ATOM 735 HZ2 LYS A 69 -2.486 5.156 32.439 1.00 0.00 H ATOM 736 HZ3 LYS A 69 -1.093 5.374 33.298 1.00 0.00 H ATOM 737 N THR A 70 1.372 2.232 37.667 1.00 17.05 N ATOM 738 CA THR A 70 2.670 1.577 37.499 1.00 18.01 C ATOM 739 C THR A 70 3.068 0.954 38.860 1.00 19.16 C ATOM 740 O THR A 70 3.192 1.699 39.834 1.00 22.32 O ATOM 741 CB THR A 70 3.732 2.633 37.097 1.00 17.38 C ATOM 742 OG1 THR A 70 3.370 3.208 35.856 1.00 16.08 O ATOM 743 CG2 THR A 70 5.129 2.019 36.891 1.00 18.56 C ATOM 744 H THR A 70 1.371 3.187 37.998 1.00 0.00 H ATOM 745 HG1 THR A 70 2.611 3.765 35.988 1.00 0.00 H ATOM 746 N PRO A 71 3.284 -0.383 38.953 1.00 20.91 N ATOM 747 CA PRO A 71 3.788 -1.060 40.164 1.00 23.96 C ATOM 748 C PRO A 71 5.168 -0.534 40.603 1.00 23.90 C ATOM 749 O PRO A 71 6.025 -0.275 39.758 1.00 25.80 O ATOM 750 CB PRO A 71 3.925 -2.546 39.784 1.00 25.33 C ATOM 751 CG PRO A 71 3.104 -2.738 38.522 1.00 29.02 C ATOM 752 CD PRO A 71 2.961 -1.350 37.903 1.00 23.02 C ATOM 753 N GLY A 72 5.395 -0.406 41.920 1.00 31.25 N ATOM 754 CA GLY A 72 6.681 -0.003 42.495 1.00 31.98 C ATOM 755 C GLY A 72 7.104 1.441 42.182 1.00 28.73 C ATOM 756 O GLY A 72 8.303 1.710 42.099 1.00 39.18 O ATOM 757 H GLY A 72 4.651 -0.634 42.563 1.00 0.00 H ATOM 758 N ALA A 73 6.131 2.347 41.971 1.00 25.80 N ATOM 759 CA ALA A 73 6.340 3.753 41.627 1.00 26.10 C ATOM 760 C ALA A 73 6.973 4.539 42.788 1.00 24.83 C ATOM 761 O ALA A 73 6.526 4.428 43.930 1.00 28.55 O ATOM 762 CB ALA A 73 4.992 4.386 41.250 1.00 30.47 C ATOM 763 H ALA A 73 5.174 2.034 42.041 1.00 0.00 H ATOM 764 N VAL A 74 8.019 5.321 42.480 1.00 25.08 N ATOM 765 CA VAL A 74 8.808 6.102 43.436 1.00 27.99 C ATOM 766 C VAL A 74 8.326 7.565 43.456 1.00 23.91 C ATOM 767 O VAL A 74 8.190 8.131 44.540 1.00 27.27 O ATOM 768 CB VAL A 74 10.306 6.030 43.018 1.00 26.11 C ATOM 769 CG1 VAL A 74 11.238 6.912 43.876 1.00 30.20 C ATOM 770 CG2 VAL A 74 10.826 4.578 43.035 1.00 34.73 C ATOM 771 H VAL A 74 8.340 5.312 41.520 1.00 0.00 H ATOM 772 N ASN A 75 8.095 8.174 42.276 1.00 22.30 N ATOM 773 CA ASN A 75 7.639 9.557 42.069 1.00 17.58 C ATOM 774 C ASN A 75 8.680 10.570 42.596 1.00 16.17 C ATOM 775 O ASN A 75 8.372 11.398 43.454 1.00 16.46 O ATOM 776 CB ASN A 75 6.210 9.763 42.644 1.00 17.90 C ATOM 777 CG ASN A 75 5.538 11.072 42.203 1.00 18.28 C ATOM 778 OD1 ASN A 75 5.943 11.696 41.225 1.00 18.76 O ATOM 779 ND2 ASN A 75 4.523 11.515 42.948 1.00 19.69 N ATOM 780 H ASN A 75 8.238 7.625 41.442 1.00 0.00 H ATOM 781 HD22 ASN A 75 4.058 12.374 42.695 1.00 0.00 H ATOM 782 HD21 ASN A 75 4.225 10.992 43.759 1.00 0.00 H ATOM 783 N ALA A 76 9.924 10.484 42.097 1.00 15.78 N ATOM 784 CA ALA A 76 11.057 11.287 42.561 1.00 15.84 C ATOM 785 C ALA A 76 10.991 12.775 42.158 1.00 16.60 C ATOM 786 O ALA A 76 11.645 13.590 42.809 1.00 18.71 O ATOM 787 CB ALA A 76 12.347 10.676 41.998 1.00 19.70 C ATOM 788 H ALA A 76 10.116 9.773 41.405 1.00 0.00 H ATOM 789 N CYS A 77 10.192 13.143 41.139 1.00 15.43 N ATOM 790 CA CYS A 77 9.927 14.537 40.760 1.00 15.15 C ATOM 791 C CYS A 77 8.735 15.125 41.533 1.00 15.94 C ATOM 792 O CYS A 77 8.596 16.347 41.569 1.00 16.72 O ATOM 793 CB CYS A 77 9.576 14.616 39.262 1.00 15.14 C ATOM 794 SG CYS A 77 10.930 14.121 38.168 1.00 14.34 S ATOM 795 H CYS A 77 9.686 12.424 40.638 1.00 0.00 H ATOM 796 N HIS A 78 7.878 14.275 42.130 1.00 15.99 N ATOM 797 CA HIS A 78 6.709 14.636 42.940 1.00 16.71 C ATOM 798 C HIS A 78 5.605 15.305 42.100 1.00 17.72 C ATOM 799 O HIS A 78 4.948 16.243 42.549 1.00 18.21 O ATOM 800 CB HIS A 78 7.091 15.383 44.239 1.00 25.66 C ATOM 801 CG HIS A 78 7.910 14.538 45.185 1.00 30.49 C ATOM 802 ND1 HIS A 78 9.276 14.354 45.050 1.00 33.57 N ATOM 803 CD2 HIS A 78 7.539 13.760 46.260 1.00 31.11 C ATOM 804 CE1 HIS A 78 9.657 13.507 46.009 1.00 32.40 C ATOM 805 NE2 HIS A 78 8.656 13.107 46.784 1.00 35.66 N ATOM 806 H HIS A 78 8.073 13.286 42.053 1.00 0.00 H ATOM 807 HD1 HIS A 78 9.870 14.756 44.338 1.00 0.00 H ATOM 808 N LEU A 79 5.444 14.822 40.858 1.00 15.10 N ATOM 809 CA LEU A 79 4.465 15.261 39.873 1.00 16.14 C ATOM 810 C LEU A 79 3.501 14.121 39.543 1.00 14.36 C ATOM 811 O LEU A 79 3.870 12.946 39.557 1.00 16.77 O ATOM 812 CB LEU A 79 5.189 15.627 38.556 1.00 20.57 C ATOM 813 CG LEU A 79 5.960 16.958 38.552 1.00 27.66 C ATOM 814 CD1 LEU A 79 6.742 17.081 37.238 1.00 29.20 C ATOM 815 CD2 LEU A 79 5.038 18.177 38.727 1.00 32.17 C ATOM 816 H LEU A 79 6.025 14.039 40.593 1.00 0.00 H ATOM 817 N SER A 80 2.292 14.501 39.108 1.00 12.78 N ATOM 818 CA SER A 80 1.430 13.657 38.291 1.00 13.23 C ATOM 819 C SER A 80 2.026 13.606 36.872 1.00 12.09 C ATOM 820 O SER A 80 2.483 14.630 36.362 1.00 12.94 O ATOM 821 CB SER A 80 0.023 14.288 38.243 1.00 14.70 C ATOM 822 OG SER A 80 -0.865 13.514 37.458 1.00 14.92 O ATOM 823 H SER A 80 2.076 15.488 39.122 1.00 0.00 H ATOM 824 HG SER A 80 -0.995 12.680 37.886 1.00 0.00 H ATOM 825 N CYS A 81 2.001 12.432 36.223 1.00 12.15 N ATOM 826 CA CYS A 81 2.479 12.247 34.848 1.00 11.82 C ATOM 827 C CYS A 81 1.659 13.026 33.797 1.00 11.57 C ATOM 828 O CYS A 81 2.150 13.247 32.692 1.00 13.13 O ATOM 829 CB CYS A 81 2.455 10.756 34.481 1.00 13.14 C ATOM 830 SG CYS A 81 3.602 9.637 35.339 1.00 13.20 S ATOM 831 H CYS A 81 1.635 11.621 36.705 1.00 0.00 H ATOM 832 N SER A 82 0.442 13.479 34.152 1.00 12.73 N ATOM 833 CA SER A 82 -0.406 14.365 33.353 1.00 13.54 C ATOM 834 C SER A 82 0.168 15.792 33.203 1.00 11.95 C ATOM 835 O SER A 82 -0.169 16.473 32.235 1.00 13.03 O ATOM 836 CB ASER A 82 -1.819 14.403 33.979 0.60 17.55 C ATOM 837 CB BSER A 82 -1.700 14.550 34.238 0.40 15.56 C ATOM 838 OG ASER A 82 -1.884 15.134 35.191 0.60 18.83 O ATOM 839 OG BSER A 82 -2.531 15.491 33.556 0.40 19.98 O ATOM 840 H SER A 82 0.115 13.255 35.081 1.00 0.00 H ATOM 841 HG ASER A 82 -1.440 14.645 35.872 0.60 0.00 H ATOM 842 HG BSER A 82 -3.355 15.598 34.036 0.40 0.00 H ATOM 843 N ALA A 83 1.066 16.222 34.112 1.00 12.11 N ATOM 844 CA ALA A 83 1.777 17.502 34.051 1.00 12.56 C ATOM 845 C ALA A 83 2.854 17.522 32.949 1.00 13.55 C ATOM 846 O ALA A 83 3.252 18.598 32.504 1.00 15.23 O ATOM 847 CB ALA A 83 2.467 17.754 35.402 1.00 15.16 C ATOM 848 H ALA A 83 1.307 15.602 34.873 1.00 0.00 H ATOM 849 N LEU A 84 3.294 16.340 32.491 1.00 12.54 N ATOM 850 CA LEU A 84 4.256 16.149 31.408 1.00 12.71 C ATOM 851 C LEU A 84 3.558 16.062 30.033 1.00 13.40 C ATOM 852 O LEU A 84 4.251 15.986 29.020 1.00 16.08 O ATOM 853 CB LEU A 84 5.008 14.821 31.654 1.00 14.18 C ATOM 854 CG LEU A 84 5.675 14.686 33.043 1.00 17.81 C ATOM 855 CD1 LEU A 84 6.265 13.284 33.200 1.00 20.67 C ATOM 856 CD2 LEU A 84 6.758 15.745 33.278 1.00 21.32 C ATOM 857 H LEU A 84 2.907 15.504 32.904 1.00 0.00 H ATOM 858 N LEU A 85 2.213 16.100 29.987 1.00 12.93 N ATOM 859 CA LEU A 85 1.399 16.082 28.768 1.00 13.54 C ATOM 860 C LEU A 85 0.790 17.458 28.437 1.00 13.88 C ATOM 861 O LEU A 85 -0.017 17.560 27.513 1.00 16.87 O ATOM 862 CB LEU A 85 0.293 15.010 28.900 1.00 13.39 C ATOM 863 CG LEU A 85 0.802 13.557 29.033 1.00 13.51 C ATOM 864 CD1 LEU A 85 -0.390 12.600 29.191 1.00 18.29 C ATOM 865 CD2 LEU A 85 1.689 13.129 27.849 1.00 16.82 C ATOM 866 H LEU A 85 1.715 16.168 30.864 1.00 0.00 H ATOM 867 N GLN A 86 1.207 18.522 29.143 1.00 14.21 N ATOM 868 CA GLN A 86 0.832 19.913 28.884 1.00 14.01 C ATOM 869 C GLN A 86 1.650 20.478 27.709 1.00 14.22 C ATOM 870 O GLN A 86 2.785 20.057 27.479 1.00 16.42 O ATOM 871 CB GLN A 86 1.198 20.756 30.124 1.00 15.40 C ATOM 872 CG GLN A 86 0.404 20.410 31.394 1.00 18.36 C ATOM 873 CD GLN A 86 0.755 21.378 32.525 1.00 22.98 C ATOM 874 OE1 GLN A 86 0.191 22.466 32.612 1.00 25.88 O ATOM 875 NE2 GLN A 86 1.687 20.984 33.393 1.00 27.04 N ATOM 876 H GLN A 86 1.888 18.363 29.871 1.00 0.00 H ATOM 877 HE22 GLN A 86 1.965 21.580 34.164 1.00 0.00 H ATOM 878 HE21 GLN A 86 2.162 20.102 33.254 1.00 0.00 H ATOM 879 N ASP A 87 1.097 21.481 27.004 1.00 13.89 N ATOM 880 CA ASP A 87 1.798 22.253 25.965 1.00 14.61 C ATOM 881 C ASP A 87 2.905 23.151 26.549 1.00 16.13 C ATOM 882 O ASP A 87 3.906 23.395 25.874 1.00 20.65 O ATOM 883 CB ASP A 87 0.801 23.145 25.185 1.00 15.52 C ATOM 884 CG ASP A 87 -0.276 22.398 24.390 1.00 15.85 C ATOM 885 OD1 ASP A 87 -0.116 21.176 24.171 1.00 18.46 O ATOM 886 OD2 ASP A 87 -1.226 23.085 23.960 1.00 18.72 O1- ATOM 887 H ASP A 87 0.154 21.762 27.229 1.00 0.00 H ATOM 888 N ASN A 88 2.745 23.595 27.809 1.00 15.81 N ATOM 889 CA ASN A 88 3.758 24.286 28.602 1.00 17.79 C ATOM 890 C ASN A 88 4.644 23.202 29.242 1.00 16.08 C ATOM 891 O ASN A 88 4.145 22.321 29.941 1.00 19.07 O ATOM 892 CB ASN A 88 3.030 25.086 29.710 1.00 20.11 C ATOM 893 CG ASN A 88 3.944 26.096 30.413 1.00 22.92 C ATOM 894 OD1 ASN A 88 4.850 25.711 31.148 1.00 26.75 O ATOM 895 ND2 ASN A 88 3.725 27.391 30.179 1.00 44.22 N ATOM 896 H ASN A 88 1.896 23.333 28.288 1.00 0.00 H ATOM 897 HD22 ASN A 88 4.311 28.082 30.624 1.00 0.00 H ATOM 898 HD21 ASN A 88 2.970 27.677 29.573 1.00 0.00 H ATOM 899 N ILE A 89 5.959 23.277 28.991 1.00 12.57 N ATOM 900 CA ILE A 89 6.936 22.254 29.371 1.00 12.70 C ATOM 901 C ILE A 89 7.727 22.623 30.642 1.00 11.43 C ATOM 902 O ILE A 89 8.754 22.000 30.897 1.00 12.56 O ATOM 903 CB ILE A 89 7.881 21.972 28.164 1.00 12.99 C ATOM 904 CG1 ILE A 89 8.766 23.172 27.739 1.00 14.29 C ATOM 905 CG2 ILE A 89 7.082 21.403 26.976 1.00 16.72 C ATOM 906 CD1 ILE A 89 9.889 22.781 26.769 1.00 17.23 C ATOM 907 H ILE A 89 6.295 24.040 28.421 1.00 0.00 H ATOM 908 N ALA A 90 7.272 23.597 31.453 1.00 12.52 N ATOM 909 CA ALA A 90 7.948 24.042 32.679 1.00 11.88 C ATOM 910 C ALA A 90 8.095 22.937 33.743 1.00 12.16 C ATOM 911 O ALA A 90 9.166 22.818 34.338 1.00 12.58 O ATOM 912 CB ALA A 90 7.202 25.245 33.272 1.00 16.43 C ATOM 913 H ALA A 90 6.414 24.070 31.201 1.00 0.00 H ATOM 914 N ASP A 91 7.058 22.099 33.937 1.00 12.34 N ATOM 915 CA ASP A 91 7.078 20.947 34.849 1.00 13.06 C ATOM 916 C ASP A 91 7.867 19.759 34.271 1.00 13.27 C ATOM 917 O ASP A 91 8.475 19.013 35.040 1.00 14.41 O ATOM 918 CB ASP A 91 5.635 20.468 35.150 1.00 16.70 C ATOM 919 CG ASP A 91 4.772 21.484 35.907 1.00 21.64 C ATOM 920 OD1 ASP A 91 5.347 22.270 36.692 1.00 25.67 O ATOM 921 OD2 ASP A 91 3.539 21.437 35.708 1.00 30.98 O1- ATOM 922 H ASP A 91 6.208 22.263 33.416 1.00 0.00 H ATOM 923 N ALA A 92 7.908 19.604 32.935 1.00 12.68 N ATOM 924 CA ALA A 92 8.700 18.582 32.249 1.00 12.92 C ATOM 925 C ALA A 92 10.202 18.892 32.296 1.00 11.99 C ATOM 926 O ALA A 92 11.001 17.970 32.445 1.00 13.19 O ATOM 927 CB ALA A 92 8.241 18.479 30.786 1.00 14.28 C ATOM 928 H ALA A 92 7.397 20.261 32.363 1.00 0.00 H ATOM 929 N VAL A 93 10.576 20.180 32.230 1.00 11.60 N ATOM 930 CA VAL A 93 11.938 20.678 32.399 1.00 11.58 C ATOM 931 C VAL A 93 12.384 20.586 33.870 1.00 10.95 C ATOM 932 O VAL A 93 13.528 20.214 34.113 1.00 12.78 O ATOM 933 CB VAL A 93 12.020 22.129 31.846 1.00 12.54 C ATOM 934 CG1 VAL A 93 13.263 22.907 32.316 1.00 15.10 C ATOM 935 CG2 VAL A 93 11.982 22.114 30.306 1.00 14.14 C ATOM 936 H VAL A 93 9.853 20.873 32.078 1.00 0.00 H ATOM 937 N ALA A 94 11.498 20.864 34.844 1.00 11.32 N ATOM 938 CA ALA A 94 11.787 20.762 36.279 1.00 14.03 C ATOM 939 C ALA A 94 12.049 19.313 36.728 1.00 11.77 C ATOM 940 O ALA A 94 12.895 19.085 37.594 1.00 13.70 O ATOM 941 CB ALA A 94 10.602 21.334 37.071 1.00 15.14 C ATOM 942 H ALA A 94 10.573 21.176 34.579 1.00 0.00 H ATOM 943 N CYS A 95 11.364 18.339 36.105 1.00 11.92 N ATOM 944 CA CYS A 95 11.549 16.913 36.353 1.00 11.46 C ATOM 945 C CYS A 95 12.728 16.342 35.547 1.00 10.97 C ATOM 946 O CYS A 95 13.412 15.460 36.057 1.00 12.53 O ATOM 947 CB CYS A 95 10.249 16.185 35.978 1.00 12.67 C ATOM 948 SG CYS A 95 10.185 14.395 36.289 1.00 13.56 S ATOM 949 H CYS A 95 10.675 18.607 35.416 1.00 0.00 H ATOM 950 N ALA A 96 13.027 16.869 34.345 1.00 10.42 N ATOM 951 CA ALA A 96 14.213 16.503 33.563 1.00 11.09 C ATOM 952 C ALA A 96 15.511 16.993 34.228 1.00 11.76 C ATOM 953 O ALA A 96 16.528 16.307 34.145 1.00 13.14 O ATOM 954 CB ALA A 96 14.109 17.108 32.156 1.00 13.08 C ATOM 955 H ALA A 96 12.420 17.581 33.962 1.00 0.00 H ATOM 956 N LYS A 97 15.454 18.131 34.944 1.00 11.55 N ATOM 957 CA LYS A 97 16.515 18.646 35.807 1.00 11.67 C ATOM 958 C LYS A 97 16.748 17.729 37.019 1.00 11.49 C ATOM 959 O LYS A 97 17.901 17.460 37.345 1.00 14.28 O ATOM 960 CB LYS A 97 16.149 20.061 36.291 1.00 12.72 C ATOM 961 CG LYS A 97 16.419 21.153 35.246 1.00 12.67 C ATOM 962 CD LYS A 97 16.004 22.536 35.756 1.00 13.88 C ATOM 963 CE LYS A 97 16.281 23.651 34.743 1.00 14.34 C ATOM 964 NZ LYS A 97 15.906 24.959 35.301 1.00 16.93 N1+ ATOM 965 H LYS A 97 14.587 18.651 34.927 1.00 0.00 H ATOM 966 HZ1 LYS A 97 15.992 25.661 34.576 1.00 0.00 H ATOM 967 HZ2 LYS A 97 14.946 24.931 35.612 1.00 0.00 H ATOM 968 HZ3 LYS A 97 16.509 25.191 36.076 1.00 0.00 H ATOM 969 N ARG A 98 15.673 17.214 37.649 1.00 12.01 N ATOM 970 CA ARG A 98 15.731 16.235 38.738 1.00 12.87 C ATOM 971 C ARG A 98 16.375 14.903 38.308 1.00 12.26 C ATOM 972 O ARG A 98 17.182 14.371 39.069 1.00 14.55 O ATOM 973 CB ARG A 98 14.318 16.029 39.345 1.00 13.46 C ATOM 974 CG ARG A 98 14.161 14.872 40.359 1.00 14.92 C ATOM 975 CD ARG A 98 15.007 15.024 41.632 1.00 17.52 C ATOM 976 NE ARG A 98 15.047 13.775 42.407 1.00 17.98 N ATOM 977 CZ ARG A 98 16.023 12.847 42.369 1.00 18.76 C ATOM 978 NH1 ARG A 98 17.057 12.947 41.526 1.00 21.63 N ATOM 979 NH2 ARG A 98 15.965 11.789 43.185 1.00 21.98 N1+ ATOM 980 H ARG A 98 14.757 17.478 37.314 1.00 0.00 H ATOM 981 HE ARG A 98 14.257 13.616 43.016 1.00 0.00 H ATOM 982 HH12 ARG A 98 17.803 12.249 41.524 1.00 0.00 H ATOM 983 HH11 ARG A 98 17.092 13.685 40.834 1.00 0.00 H ATOM 984 HH22 ARG A 98 16.692 11.087 43.147 1.00 0.00 H ATOM 985 HH21 ARG A 98 15.204 11.679 43.839 1.00 0.00 H ATOM 986 N VAL A 99 16.061 14.395 37.100 1.00 11.86 N ATOM 987 CA VAL A 99 16.634 13.175 36.512 1.00 12.33 C ATOM 988 C VAL A 99 18.170 13.240 36.435 1.00 12.78 C ATOM 989 O VAL A 99 18.842 12.297 36.851 1.00 14.35 O ATOM 990 CB VAL A 99 15.999 12.882 35.119 1.00 12.64 C ATOM 991 CG1 VAL A 99 16.697 11.742 34.345 1.00 14.52 C ATOM 992 CG2 VAL A 99 14.495 12.567 35.203 1.00 14.42 C ATOM 993 H VAL A 99 15.374 14.888 36.546 1.00 0.00 H ATOM 994 N VAL A 100 18.713 14.358 35.925 1.00 13.05 N ATOM 995 CA VAL A 100 20.145 14.521 35.685 1.00 12.65 C ATOM 996 C VAL A 100 20.927 14.984 36.930 1.00 14.23 C ATOM 997 O VAL A 100 22.153 15.026 36.854 1.00 17.68 O ATOM 998 CB VAL A 100 20.380 15.482 34.490 1.00 12.79 C ATOM 999 CG1 VAL A 100 19.714 14.942 33.214 1.00 14.07 C ATOM 1000 CG2 VAL A 100 19.963 16.941 34.739 1.00 14.57 C ATOM 1001 H VAL A 100 18.098 15.099 35.617 1.00 0.00 H ATOM 1002 N ARG A 101 20.267 15.274 38.072 1.00 15.12 N ATOM 1003 CA ARG A 101 20.930 15.489 39.368 1.00 17.78 C ATOM 1004 C ARG A 101 21.406 14.175 40.019 1.00 20.08 C ATOM 1005 O ARG A 101 22.267 14.234 40.897 1.00 23.74 O ATOM 1006 CB ARG A 101 20.012 16.246 40.355 1.00 18.42 C ATOM 1007 CG ARG A 101 19.953 17.760 40.075 1.00 18.87 C ATOM 1008 CD ARG A 101 19.425 18.598 41.248 1.00 18.67 C ATOM 1009 NE ARG A 101 18.055 18.238 41.644 1.00 20.24 N ATOM 1010 CZ ARG A 101 16.918 18.759 41.151 1.00 16.31 C ATOM 1011 NH1 ARG A 101 16.921 19.610 40.115 1.00 19.85 N ATOM 1012 NH2 ARG A 101 15.750 18.422 41.710 1.00 21.13 N1+ ATOM 1013 H ARG A 101 19.257 15.229 38.066 1.00 0.00 H ATOM 1014 HE ARG A 101 17.988 17.562 42.390 1.00 0.00 H ATOM 1015 HH12 ARG A 101 16.056 19.991 39.760 1.00 0.00 H ATOM 1016 HH11 ARG A 101 17.793 19.863 39.667 1.00 0.00 H ATOM 1017 HH22 ARG A 101 14.885 18.809 41.361 1.00 0.00 H ATOM 1018 HH21 ARG A 101 15.726 17.812 42.514 1.00 0.00 H ATOM 1019 N ASP A 102 20.934 13.003 39.552 1.00 17.13 N ATOM 1020 CA ASP A 102 21.527 11.699 39.876 1.00 18.60 C ATOM 1021 C ASP A 102 22.850 11.508 39.095 1.00 18.33 C ATOM 1022 O ASP A 102 22.997 12.101 38.022 1.00 17.88 O ATOM 1023 CB ASP A 102 20.553 10.550 39.511 1.00 25.63 C ATOM 1024 CG ASP A 102 19.375 10.373 40.478 1.00 29.45 C ATOM 1025 OD1 ASP A 102 19.199 11.223 41.379 1.00 31.08 O ATOM 1026 OD2 ASP A 102 18.671 9.355 40.315 1.00 39.39 O1- ATOM 1027 H ASP A 102 20.227 13.021 38.831 1.00 0.00 H ATOM 1028 N PRO A 103 23.815 10.707 39.618 1.00 21.13 N ATOM 1029 CA PRO A 103 25.160 10.484 39.042 1.00 24.39 C ATOM 1030 C PRO A 103 25.247 10.156 37.542 1.00 20.09 C ATOM 1031 O PRO A 103 26.219 10.541 36.894 1.00 18.73 O ATOM 1032 CB PRO A 103 25.751 9.315 39.845 1.00 27.01 C ATOM 1033 CG PRO A 103 25.064 9.387 41.192 1.00 27.24 C ATOM 1034 CD PRO A 103 23.697 9.999 40.899 1.00 23.20 C ATOM 1035 N GLN A 104 24.237 9.453 37.003 1.00 18.34 N ATOM 1036 CA GLN A 104 24.165 8.982 35.621 1.00 21.23 C ATOM 1037 C GLN A 104 24.032 10.139 34.608 1.00 17.94 C ATOM 1038 O GLN A 104 24.525 10.030 33.485 1.00 18.00 O ATOM 1039 CB GLN A 104 22.953 8.025 35.526 1.00 24.12 C ATOM 1040 CG GLN A 104 23.131 6.914 34.473 1.00 47.13 C ATOM 1041 CD GLN A 104 21.965 5.925 34.356 1.00 47.32 C ATOM 1042 OE1 GLN A 104 22.055 4.973 33.586 1.00 60.39 O ATOM 1043 NE2 GLN A 104 20.870 6.124 35.095 1.00 62.61 N ATOM 1044 H GLN A 104 23.476 9.189 37.612 1.00 0.00 H ATOM 1045 HE22 GLN A 104 20.100 5.475 35.028 1.00 0.00 H ATOM 1046 HE21 GLN A 104 20.817 6.913 35.722 1.00 0.00 H ATOM 1047 N GLY A 105 23.401 11.255 35.013 1.00 16.59 N ATOM 1048 CA GLY A 105 23.160 12.425 34.178 1.00 17.91 C ATOM 1049 C GLY A 105 22.122 12.130 33.092 1.00 15.90 C ATOM 1050 O GLY A 105 21.124 11.454 33.348 1.00 17.09 O ATOM 1051 H GLY A 105 23.053 11.288 35.962 1.00 0.00 H ATOM 1052 N ILE A 106 22.373 12.637 31.875 1.00 15.81 N ATOM 1053 CA ILE A 106 21.537 12.441 30.687 1.00 17.11 C ATOM 1054 C ILE A 106 21.655 11.018 30.077 1.00 15.80 C ATOM 1055 O ILE A 106 20.874 10.675 29.190 1.00 16.82 O ATOM 1056 CB ILE A 106 21.877 13.558 29.659 1.00 17.55 C ATOM 1057 CG1 ILE A 106 20.840 13.639 28.514 1.00 19.14 C ATOM 1058 CG2 ILE A 106 23.323 13.479 29.123 1.00 21.03 C ATOM 1059 CD1 ILE A 106 20.763 15.008 27.827 1.00 17.90 C ATOM 1060 H ILE A 106 23.211 13.187 31.753 1.00 0.00 H ATOM 1061 N ARG A 107 22.558 10.158 30.588 1.00 16.58 N ATOM 1062 CA ARG A 107 22.642 8.734 30.234 1.00 17.13 C ATOM 1063 C ARG A 107 21.521 7.898 30.877 1.00 20.36 C ATOM 1064 O ARG A 107 21.404 6.721 30.550 1.00 21.86 O ATOM 1065 CB ARG A 107 23.999 8.150 30.677 1.00 18.94 C ATOM 1066 CG ARG A 107 25.170 8.719 29.876 1.00 23.89 C ATOM 1067 CD ARG A 107 26.543 8.362 30.455 1.00 39.98 C ATOM 1068 NE ARG A 107 27.556 9.240 29.859 1.00 47.72 N ATOM 1069 CZ ARG A 107 27.765 10.520 30.213 1.00 67.00 C ATOM 1070 NH1 ARG A 107 27.120 11.080 31.250 1.00 74.07 N ATOM 1071 NH2 ARG A 107 28.626 11.255 29.502 1.00 64.71 N1+ ATOM 1072 H ARG A 107 23.159 10.486 31.331 1.00 0.00 H ATOM 1073 HE ARG A 107 28.058 8.864 29.065 1.00 0.00 H ATOM 1074 HH12 ARG A 107 27.293 12.042 31.504 1.00 0.00 H ATOM 1075 HH11 ARG A 107 26.471 10.533 31.799 1.00 0.00 H ATOM 1076 HH22 ARG A 107 28.803 12.219 29.747 1.00 0.00 H ATOM 1077 HH21 ARG A 107 29.122 10.847 28.722 1.00 0.00 H ATOM 1078 N ALA A 108 20.664 8.490 31.731 1.00 18.54 N ATOM 1079 CA ALA A 108 19.431 7.889 32.247 1.00 21.58 C ATOM 1080 C ALA A 108 18.442 7.492 31.134 1.00 18.41 C ATOM 1081 O ALA A 108 17.742 6.489 31.270 1.00 24.26 O ATOM 1082 CB ALA A 108 18.775 8.875 33.225 1.00 25.52 C ATOM 1083 H ALA A 108 20.827 9.460 31.963 1.00 0.00 H ATOM 1084 N TRP A 109 18.441 8.241 30.020 1.00 16.15 N ATOM 1085 CA TRP A 109 17.740 7.918 28.784 1.00 16.79 C ATOM 1086 C TRP A 109 18.709 7.185 27.845 1.00 15.57 C ATOM 1087 O TRP A 109 19.772 7.711 27.507 1.00 17.44 O ATOM 1088 CB TRP A 109 17.321 9.240 28.122 1.00 14.21 C ATOM 1089 CG TRP A 109 16.287 10.026 28.874 1.00 14.22 C ATOM 1090 CD1 TRP A 109 14.956 9.797 28.843 1.00 17.01 C ATOM 1091 CD2 TRP A 109 16.469 11.193 29.735 1.00 13.07 C ATOM 1092 NE1 TRP A 109 14.306 10.736 29.615 1.00 16.16 N ATOM 1093 CE2 TRP A 109 15.185 11.642 30.169 1.00 14.95 C ATOM 1094 CE3 TRP A 109 17.588 11.935 30.175 1.00 14.74 C ATOM 1095 CZ2 TRP A 109 15.018 12.783 30.975 1.00 16.94 C ATOM 1096 CZ3 TRP A 109 17.435 13.082 30.979 1.00 14.74 C ATOM 1097 CH2 TRP A 109 16.153 13.510 31.376 1.00 16.52 C ATOM 1098 H TRP A 109 19.059 9.039 29.991 1.00 0.00 H ATOM 1099 HE1 TRP A 109 13.297 10.769 29.678 1.00 0.00 H ATOM 1100 N VAL A 110 18.329 5.967 27.419 1.00 18.17 N ATOM 1101 CA VAL A 110 19.120 5.112 26.527 1.00 20.77 C ATOM 1102 C VAL A 110 19.144 5.637 25.080 1.00 18.43 C ATOM 1103 O VAL A 110 20.101 5.358 24.362 1.00 20.67 O ATOM 1104 CB VAL A 110 18.585 3.653 26.554 1.00 28.20 C ATOM 1105 CG1 VAL A 110 18.656 3.050 27.967 1.00 32.48 C ATOM 1106 CG2 VAL A 110 17.175 3.467 25.956 1.00 32.96 C ATOM 1107 H VAL A 110 17.446 5.601 27.743 1.00 0.00 H ATOM 1108 N ALA A 111 18.130 6.421 24.664 1.00 18.39 N ATOM 1109 CA ALA A 111 18.041 7.027 23.335 1.00 20.08 C ATOM 1110 C ALA A 111 19.120 8.096 23.120 1.00 17.47 C ATOM 1111 O ALA A 111 19.592 8.244 21.997 1.00 19.35 O ATOM 1112 CB ALA A 111 16.661 7.673 23.153 1.00 21.74 C ATOM 1113 H ALA A 111 17.379 6.618 25.311 1.00 0.00 H ATOM 1114 N TRP A 112 19.559 8.786 24.192 1.00 16.39 N ATOM 1115 CA TRP A 112 20.690 9.708 24.155 1.00 14.27 C ATOM 1116 C TRP A 112 22.023 8.959 23.971 1.00 14.94 C ATOM 1117 O TRP A 112 22.895 9.463 23.269 1.00 14.58 O ATOM 1118 CB TRP A 112 20.733 10.550 25.446 1.00 14.56 C ATOM 1119 CG TRP A 112 21.811 11.595 25.463 1.00 15.83 C ATOM 1120 CD1 TRP A 112 21.694 12.854 24.983 1.00 15.71 C ATOM 1121 CD2 TRP A 112 23.191 11.468 25.925 1.00 15.54 C ATOM 1122 NE1 TRP A 112 22.913 13.494 25.070 1.00 15.81 N ATOM 1123 CE2 TRP A 112 23.877 12.685 25.632 1.00 16.34 C ATOM 1124 CE3 TRP A 112 23.942 10.441 26.546 1.00 16.24 C ATOM 1125 CZ2 TRP A 112 25.241 12.868 25.919 1.00 19.60 C ATOM 1126 CZ3 TRP A 112 25.307 10.619 26.850 1.00 19.22 C ATOM 1127 CH2 TRP A 112 25.958 11.827 26.535 1.00 21.44 C ATOM 1128 H TRP A 112 19.131 8.605 25.089 1.00 0.00 H ATOM 1129 HE1 TRP A 112 23.067 14.432 24.725 1.00 0.00 H ATOM 1130 N ARG A 113 22.182 7.752 24.542 1.00 15.14 N ATOM 1131 CA ARG A 113 23.387 6.935 24.363 1.00 16.43 C ATOM 1132 C ARG A 113 23.515 6.426 22.917 1.00 17.09 C ATOM 1133 O ARG A 113 24.624 6.357 22.390 1.00 18.84 O ATOM 1134 CB ARG A 113 23.364 5.703 25.286 1.00 19.05 C ATOM 1135 CG ARG A 113 23.190 5.990 26.783 1.00 21.06 C ATOM 1136 CD ARG A 113 23.337 4.692 27.592 1.00 31.33 C ATOM 1137 NE ARG A 113 22.597 4.736 28.857 1.00 32.96 N ATOM 1138 CZ ARG A 113 22.248 3.670 29.597 1.00 39.44 C ATOM 1139 NH1 ARG A 113 22.564 2.422 29.227 1.00 48.10 N ATOM 1140 NH2 ARG A 113 21.568 3.859 30.733 1.00 49.31 N1+ ATOM 1141 H ARG A 113 21.424 7.367 25.088 1.00 0.00 H ATOM 1142 HE ARG A 113 22.334 5.651 29.202 1.00 0.00 H ATOM 1143 HH12 ARG A 113 22.295 1.633 29.796 1.00 0.00 H ATOM 1144 HH11 ARG A 113 23.079 2.263 28.373 1.00 0.00 H ATOM 1145 HH22 ARG A 113 21.305 3.083 31.322 1.00 0.00 H ATOM 1146 HH21 ARG A 113 21.339 4.802 31.028 1.00 0.00 H ATOM 1147 N ASN A 114 22.375 6.092 22.287 1.00 15.91 N ATOM 1148 CA ASN A 114 22.293 5.524 20.945 1.00 17.99 C ATOM 1149 C ASN A 114 22.429 6.604 19.858 1.00 15.89 C ATOM 1150 O ASN A 114 23.071 6.343 18.842 1.00 20.21 O ATOM 1151 CB ASN A 114 20.912 4.841 20.749 1.00 22.77 C ATOM 1152 CG ASN A 114 20.625 3.656 21.680 1.00 26.98 C ATOM 1153 OD1 ASN A 114 21.519 3.112 22.326 1.00 28.93 O ATOM 1154 ND2 ASN A 114 19.352 3.262 21.771 1.00 33.78 N ATOM 1155 H ASN A 114 21.511 6.175 22.806 1.00 0.00 H ATOM 1156 HD22 ASN A 114 19.115 2.494 22.382 1.00 0.00 H ATOM 1157 HD21 ASN A 114 18.634 3.730 21.238 1.00 0.00 H ATOM 1158 N ARG A 115 21.813 7.785 20.049 1.00 16.64 N ATOM 1159 CA ARG A 115 21.603 8.791 19.003 1.00 17.38 C ATOM 1160 C ARG A 115 22.409 10.087 19.184 1.00 17.46 C ATOM 1161 O ARG A 115 22.424 10.886 18.249 1.00 20.36 O ATOM 1162 CB ARG A 115 20.110 9.192 18.986 1.00 18.38 C ATOM 1163 CG ARG A 115 19.120 8.051 18.697 1.00 24.94 C ATOM 1164 CD ARG A 115 19.132 7.625 17.226 1.00 30.28 C ATOM 1165 NE ARG A 115 18.091 6.628 16.952 1.00 32.22 N ATOM 1166 CZ ARG A 115 17.659 6.271 15.731 1.00 32.89 C ATOM 1167 NH1 ARG A 115 18.152 6.844 14.623 1.00 35.05 N ATOM 1168 NH2 ARG A 115 16.721 5.323 15.618 1.00 36.35 N1+ ATOM 1169 H ARG A 115 21.313 7.924 20.918 1.00 0.00 H ATOM 1170 HE ARG A 115 17.701 6.160 17.758 1.00 0.00 H ATOM 1171 HH12 ARG A 115 17.823 6.568 13.709 1.00 0.00 H ATOM 1172 HH11 ARG A 115 18.850 7.569 14.700 1.00 0.00 H ATOM 1173 HH22 ARG A 115 16.385 5.040 14.709 1.00 0.00 H ATOM 1174 HH21 ARG A 115 16.336 4.883 16.441 1.00 0.00 H ATOM 1175 N CYS A 116 23.024 10.337 20.354 1.00 15.08 N ATOM 1176 CA CYS A 116 23.574 11.652 20.722 1.00 14.67 C ATOM 1177 C CYS A 116 24.998 11.587 21.279 1.00 16.40 C ATOM 1178 O CYS A 116 25.790 12.490 21.006 1.00 18.54 O ATOM 1179 CB CYS A 116 22.628 12.374 21.703 1.00 14.17 C ATOM 1180 SG CYS A 116 20.892 12.480 21.199 1.00 14.27 S ATOM 1181 H CYS A 116 22.967 9.641 21.085 1.00 0.00 H ATOM 1182 N GLN A 117 25.326 10.542 22.057 1.00 16.23 N ATOM 1183 CA GLN A 117 26.612 10.385 22.734 1.00 18.20 C ATOM 1184 C GLN A 117 27.710 10.055 21.716 1.00 20.42 C ATOM 1185 O GLN A 117 27.559 9.131 20.916 1.00 20.59 O ATOM 1186 CB GLN A 117 26.510 9.242 23.764 1.00 19.87 C ATOM 1187 CG GLN A 117 27.732 9.178 24.710 1.00 23.21 C ATOM 1188 CD GLN A 117 27.716 8.047 25.744 1.00 24.24 C ATOM 1189 OE1 GLN A 117 28.504 8.075 26.685 1.00 33.47 O ATOM 1190 NE2 GLN A 117 26.826 7.062 25.606 1.00 37.16 N ATOM 1191 H GLN A 117 24.616 9.849 22.253 1.00 0.00 H ATOM 1192 HE22 GLN A 117 26.810 6.307 26.275 1.00 0.00 H ATOM 1193 HE21 GLN A 117 26.204 7.054 24.810 1.00 0.00 H ATOM 1194 N ASN A 118 28.799 10.838 21.754 1.00 23.71 N ATOM 1195 CA ASN A 118 29.998 10.717 20.915 1.00 28.55 C ATOM 1196 C ASN A 118 29.756 11.143 19.452 1.00 27.64 C ATOM 1197 O ASN A 118 30.562 10.822 18.579 1.00 33.21 O ATOM 1198 CB ASN A 118 30.707 9.341 21.049 1.00 34.02 C ATOM 1199 CG ASN A 118 31.107 8.988 22.486 1.00 36.99 C ATOM 1200 OD1 ASN A 118 31.716 9.796 23.184 1.00 41.09 O ATOM 1201 ND2 ASN A 118 30.734 7.793 22.948 1.00 45.69 N ATOM 1202 H ASN A 118 28.812 11.580 22.438 1.00 0.00 H ATOM 1203 HD22 ASN A 118 30.972 7.528 23.893 1.00 0.00 H ATOM 1204 HD21 ASN A 118 30.223 7.157 22.353 1.00 0.00 H ATOM 1205 N ARG A 119 28.647 11.854 19.189 1.00 26.95 N ATOM 1206 CA ARG A 119 28.271 12.405 17.892 1.00 29.41 C ATOM 1207 C ARG A 119 28.339 13.934 17.931 1.00 27.46 C ATOM 1208 O ARG A 119 28.268 14.551 18.996 1.00 28.03 O ATOM 1209 CB ARG A 119 26.818 12.009 17.561 1.00 27.29 C ATOM 1210 CG ARG A 119 26.577 10.495 17.472 1.00 29.07 C ATOM 1211 CD ARG A 119 25.329 10.191 16.636 1.00 33.27 C ATOM 1212 NE ARG A 119 24.863 8.809 16.821 1.00 34.40 N ATOM 1213 CZ ARG A 119 24.467 7.968 15.849 1.00 33.71 C ATOM 1214 NH1 ARG A 119 24.506 8.314 14.555 1.00 39.46 N ATOM 1215 NH2 ARG A 119 24.017 6.752 16.178 1.00 32.31 N1+ ATOM 1216 H ARG A 119 28.038 12.076 19.965 1.00 0.00 H ATOM 1217 HE ARG A 119 24.797 8.495 17.780 1.00 0.00 H ATOM 1218 HH12 ARG A 119 24.210 7.669 13.837 1.00 0.00 H ATOM 1219 HH11 ARG A 119 24.842 9.228 14.289 1.00 0.00 H ATOM 1220 HH22 ARG A 119 23.735 6.096 15.465 1.00 0.00 H ATOM 1221 HH21 ARG A 119 23.924 6.489 17.154 1.00 0.00 H ATOM 1222 N ASP A 120 28.402 14.536 16.734 1.00 30.41 N ATOM 1223 CA ASP A 120 28.219 15.965 16.510 1.00 27.35 C ATOM 1224 C ASP A 120 26.710 16.273 16.595 1.00 25.50 C ATOM 1225 O ASP A 120 25.926 15.774 15.786 1.00 30.21 O ATOM 1226 CB ASP A 120 28.797 16.303 15.111 1.00 31.42 C ATOM 1227 CG ASP A 120 28.834 17.795 14.754 1.00 38.14 C ATOM 1228 OD1 ASP A 120 28.430 18.619 15.603 1.00 41.12 O ATOM 1229 OD2 ASP A 120 29.307 18.095 13.636 1.00 34.42 O1- ATOM 1230 H ASP A 120 28.453 13.954 15.911 1.00 0.00 H ATOM 1231 N VAL A 121 26.323 17.076 17.598 1.00 22.52 N ATOM 1232 CA VAL A 121 24.941 17.432 17.934 1.00 21.13 C ATOM 1233 C VAL A 121 24.664 18.939 17.755 1.00 22.32 C ATOM 1234 O VAL A 121 23.569 19.394 18.080 1.00 18.74 O ATOM 1235 CB VAL A 121 24.573 16.913 19.356 1.00 22.58 C ATOM 1236 CG1 VAL A 121 24.535 15.376 19.425 1.00 30.69 C ATOM 1237 CG2 VAL A 121 25.471 17.477 20.473 1.00 25.84 C ATOM 1238 H VAL A 121 27.043 17.431 18.212 1.00 0.00 H ATOM 1239 N ARG A 122 25.614 19.717 17.201 1.00 27.46 N ATOM 1240 CA ARG A 122 25.458 21.136 16.841 1.00 27.65 C ATOM 1241 C ARG A 122 24.280 21.427 15.891 1.00 24.97 C ATOM 1242 O ARG A 122 23.700 22.511 15.966 1.00 25.46 O ATOM 1243 CB AARG A 122 26.810 21.673 16.305 0.50 29.85 C ATOM 1244 CB BARG A 122 26.848 21.527 16.242 0.50 28.87 C ATOM 1245 CG AARG A 122 26.773 22.776 15.218 0.50 34.26 C ATOM 1246 CG BARG A 122 28.061 21.210 17.122 0.50 37.32 C ATOM 1247 CD AARG A 122 28.152 23.363 14.888 0.50 33.83 C ATOM 1248 CD BARG A 122 27.907 22.022 18.426 0.50 40.48 C ATOM 1249 NE AARG A 122 29.113 22.305 14.547 0.50 37.37 N ATOM 1250 NE BARG A 122 26.936 23.095 18.208 0.50 40.95 N ATOM 1251 CZ AARG A 122 29.992 21.741 15.393 0.50 37.41 C ATOM 1252 CZ BARG A 122 26.457 23.895 19.152 0.50 41.42 C ATOM 1253 NH1AARG A 122 30.125 22.162 16.660 0.50 44.26 N ATOM 1254 NH1BARG A 122 26.123 23.403 20.334 0.50 44.41 N ATOM 1255 NH2AARG A 122 30.746 20.721 14.968 0.50 43.88 N1+ ATOM 1256 NH2BARG A 122 26.311 25.194 18.898 0.50 53.39 N1+ ATOM 1257 H ARG A 122 26.486 19.276 16.936 1.00 0.00 H ATOM 1258 HE AARG A 122 29.041 21.927 13.612 0.50 0.00 H ATOM 1259 HE BARG A 122 26.631 23.204 17.251 0.50 0.00 H ATOM 1260 HH12AARG A 122 30.783 21.717 17.283 0.50 0.00 H ATOM 1261 HH12BARG A 122 25.759 24.014 21.051 0.50 0.00 H ATOM 1262 HH11AARG A 122 29.561 22.929 16.996 0.50 0.00 H ATOM 1263 HH11BARG A 122 26.232 22.416 20.519 0.50 0.00 H ATOM 1264 HH22AARG A 122 31.398 20.270 15.591 0.50 0.00 H ATOM 1265 HH22BARG A 122 25.947 25.810 19.611 0.50 0.00 H ATOM 1266 HH21AARG A 122 30.581 20.308 14.059 0.50 0.00 H ATOM 1267 HH21BARG A 122 26.564 25.563 17.993 0.50 0.00 H ATOM 1268 N GLN A 123 23.930 20.464 15.020 1.00 26.01 N ATOM 1269 CA GLN A 123 22.850 20.540 14.035 1.00 28.19 C ATOM 1270 C GLN A 123 21.465 20.898 14.610 1.00 24.96 C ATOM 1271 O GLN A 123 20.659 21.514 13.914 1.00 26.43 O ATOM 1272 CB GLN A 123 22.787 19.239 13.210 1.00 33.36 C ATOM 1273 CG GLN A 123 22.477 17.957 14.021 1.00 45.52 C ATOM 1274 CD GLN A 123 22.225 16.701 13.178 1.00 48.33 C ATOM 1275 OE1 GLN A 123 22.328 15.594 13.698 1.00 50.12 O ATOM 1276 NE2 GLN A 123 21.914 16.838 11.886 1.00 61.45 N ATOM 1277 H GLN A 123 24.468 19.610 15.037 1.00 0.00 H ATOM 1278 HE22 GLN A 123 21.760 16.015 11.323 1.00 0.00 H ATOM 1279 HE21 GLN A 123 21.846 17.757 11.475 1.00 0.00 H ATOM 1280 N TYR A 124 21.194 20.524 15.872 1.00 21.23 N ATOM 1281 CA TYR A 124 19.892 20.681 16.515 1.00 20.57 C ATOM 1282 C TYR A 124 19.659 22.098 17.081 1.00 17.27 C ATOM 1283 O TYR A 124 18.516 22.418 17.406 1.00 19.70 O ATOM 1284 CB TYR A 124 19.781 19.656 17.663 1.00 20.32 C ATOM 1285 CG TYR A 124 19.869 18.204 17.223 1.00 17.15 C ATOM 1286 CD1 TYR A 124 18.837 17.628 16.454 1.00 23.75 C ATOM 1287 CD2 TYR A 124 20.993 17.427 17.565 1.00 19.77 C ATOM 1288 CE1 TYR A 124 18.945 16.295 16.009 1.00 24.75 C ATOM 1289 CE2 TYR A 124 21.118 16.108 17.096 1.00 21.05 C ATOM 1290 CZ TYR A 124 20.093 15.539 16.320 1.00 20.92 C ATOM 1291 OH TYR A 124 20.219 14.258 15.867 1.00 25.52 O ATOM 1292 H TYR A 124 21.912 20.039 16.393 1.00 0.00 H ATOM 1293 HH TYR A 124 21.088 13.912 16.007 1.00 0.00 H ATOM 1294 N VAL A 125 20.696 22.955 17.146 1.00 19.87 N ATOM 1295 CA VAL A 125 20.644 24.327 17.673 1.00 19.04 C ATOM 1296 C VAL A 125 21.133 25.394 16.677 1.00 21.10 C ATOM 1297 O VAL A 125 21.022 26.581 16.988 1.00 21.37 O ATOM 1298 CB VAL A 125 21.380 24.430 19.037 1.00 21.60 C ATOM 1299 CG1 VAL A 125 20.613 23.726 20.164 1.00 23.75 C ATOM 1300 CG2 VAL A 125 22.845 23.956 18.978 1.00 24.99 C ATOM 1301 H VAL A 125 21.601 22.620 16.845 1.00 0.00 H ATOM 1302 N GLN A 126 21.660 25.012 15.498 1.00 23.38 N ATOM 1303 CA GLN A 126 22.195 25.952 14.508 1.00 29.06 C ATOM 1304 C GLN A 126 21.098 26.850 13.904 1.00 27.13 C ATOM 1305 O GLN A 126 20.026 26.378 13.525 1.00 27.14 O ATOM 1306 CB AGLN A 126 22.989 25.197 13.418 0.50 31.28 C ATOM 1307 CB BGLN A 126 23.035 25.188 13.469 0.50 31.69 C ATOM 1308 CG AGLN A 126 22.199 24.233 12.495 0.50 33.72 C ATOM 1309 CG BGLN A 126 23.789 23.971 13.941 0.50 37.39 C ATOM 1310 CD AGLN A 126 22.525 24.355 11.003 0.50 47.22 C ATOM 1311 CD BGLN A 126 25.043 24.263 14.723 0.50 38.76 C ATOM 1312 OE1AGLN A 126 22.738 23.345 10.337 0.50 45.69 O ATOM 1313 OE1BGLN A 126 25.125 25.190 15.519 0.50 38.51 O ATOM 1314 NE2AGLN A 126 22.581 25.576 10.465 0.50 49.55 N ATOM 1315 NE2BGLN A 126 26.059 23.415 14.517 0.50 43.64 N ATOM 1316 H GLN A 126 21.737 24.025 15.296 1.00 0.00 H ATOM 1317 HE22AGLN A 126 22.801 25.675 9.485 0.50 0.00 H ATOM 1318 HE22BGLN A 126 26.933 23.546 15.006 0.50 0.00 H ATOM 1319 HE21AGLN A 126 22.400 26.390 11.033 0.50 0.00 H ATOM 1320 HE21BGLN A 126 25.951 22.645 13.873 0.50 0.00 H ATOM 1321 N GLY A 127 21.379 28.161 13.847 1.00 25.06 N ATOM 1322 CA GLY A 127 20.493 29.193 13.313 1.00 25.33 C ATOM 1323 C GLY A 127 19.320 29.600 14.219 1.00 23.89 C ATOM 1324 O GLY A 127 18.467 30.362 13.767 1.00 25.63 O ATOM 1325 H GLY A 127 22.276 28.468 14.194 1.00 0.00 H ATOM 1326 N CYS A 128 19.252 29.102 15.467 1.00 20.90 N ATOM 1327 CA CYS A 128 18.122 29.323 16.376 1.00 20.37 C ATOM 1328 C CYS A 128 18.290 30.542 17.302 1.00 21.95 C ATOM 1329 O CYS A 128 17.338 30.892 18.002 1.00 24.45 O ATOM 1330 CB CYS A 128 17.940 28.070 17.253 1.00 18.95 C ATOM 1331 SG CYS A 128 17.562 26.536 16.360 1.00 17.57 S ATOM 1332 H CYS A 128 19.979 28.471 15.774 1.00 0.00 H ATOM 1333 N GLY A 129 19.461 31.203 17.294 1.00 27.29 N ATOM 1334 CA GLY A 129 19.742 32.406 18.080 1.00 29.29 C ATOM 1335 C GLY A 129 20.015 32.139 19.567 1.00 28.62 C ATOM 1336 O GLY A 129 19.757 33.010 20.397 1.00 38.50 O ATOM 1337 H GLY A 129 20.192 30.868 16.683 1.00 0.00 H ATOM 1338 N VAL A 130 20.501 30.932 19.894 1.00 24.90 N ATOM 1339 CA VAL A 130 20.800 30.448 21.242 1.00 25.27 C ATOM 1340 C VAL A 130 22.317 30.271 21.438 1.00 33.46 C ATOM 1341 O VAL A 130 22.702 30.029 22.602 1.00 31.44 O ATOM 1342 CB VAL A 130 20.039 29.117 21.484 1.00 25.35 C ATOM 1343 CG1 VAL A 130 18.516 29.329 21.470 1.00 27.59 C ATOM 1344 CG2 VAL A 130 20.444 27.982 20.520 1.00 26.59 C ATOM 1345 OXT VAL A 130 23.068 30.369 20.442 1.00 47.97 O1- ATOM 1346 H VAL A 130 20.713 30.295 19.140 1.00 0.00 H CONECT 68 1331 CONECT 322 1180 CONECT 697 830 CONECT 794 948 CONECT 830 697 CONECT 948 794 CONECT 1180 322 CONECT 1331 68 ENDMDL END If you find results from this site helpful for your research, please cite one of our papers:
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