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*** I59T ***elNémo ID: 2503190557543476043Job options:ID = 2503190557543476043 JOBID = I59T 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 I59T 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 0.472 20.233 22.551 1.00 0.00 H ATOM 11 H2 LYS A 1 0.778 18.964 21.526 1.00 0.00 H ATOM 12 H3 LYS A 1 1.828 19.325 22.747 1.00 0.00 H ATOM 13 HZ1 LYS A 1 5.372 26.897 21.447 1.00 0.00 H ATOM 14 HZ2 LYS A 1 3.960 26.752 22.296 1.00 0.00 H ATOM 15 HZ3 LYS A 1 5.336 26.016 22.849 1.00 0.00 H ATOM 16 N VAL A 2 3.340 20.014 19.253 1.00 15.22 N ATOM 17 CA VAL A 2 4.591 19.693 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 5.603 18.673 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 22.937 21.327 1.00 12.43 C ATOM 30 CD1 PHE A 3 7.159 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 22.603 23.464 1.00 16.85 C ATOM 33 CE2 PHE A 3 7.915 24.713 23.006 1.00 16.48 C ATOM 34 CZ PHE A 3 7.166 23.896 23.873 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 8.360 23.490 16.965 1.00 14.86 N ATOM 37 CA GLU A 4 9.380 23.696 15.942 1.00 16.55 C ATOM 38 C GLU A 4 10.756 23.702 16.637 1.00 14.12 C ATOM 39 O GLU A 4 10.858 24.061 17.811 1.00 14.27 O ATOM 40 CB GLU A 4 9.120 25.055 15.262 1.00 21.19 C ATOM 41 CG GLU A 4 7.793 25.069 14.474 1.00 34.01 C ATOM 42 CD GLU A 4 7.491 26.435 13.861 1.00 39.62 C ATOM 43 OE1 GLU A 4 8.289 26.862 12.998 1.00 49.70 O ATOM 44 OE2 GLU A 4 6.465 27.026 14.260 1.00 48.74 O1- ATOM 45 H GLU A 4 7.960 24.320 17.385 1.00 0.00 H ATOM 46 N ARG A 5 11.806 23.262 15.924 1.00 13.42 N ATOM 47 CA ARG A 5 13.169 23.056 16.429 1.00 13.70 C ATOM 48 C ARG A 5 13.740 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 14.075 22.624 15.258 1.00 14.12 C ATOM 51 CG ARG A 5 15.552 22.376 15.627 1.00 16.72 C ATOM 52 CD ARG A 5 16.395 21.918 14.430 1.00 19.34 C ATOM 53 NE ARG A 5 16.574 23.004 13.453 1.00 20.28 N ATOM 54 CZ ARG A 5 17.556 23.921 13.456 1.00 21.61 C ATOM 55 NH1 ARG A 5 18.502 23.935 14.403 1.00 24.48 N ATOM 56 NH2 ARG A 5 17.591 24.854 12.498 1.00 23.88 N1+ ATOM 57 H ARG A 5 11.631 22.981 14.970 1.00 0.00 H ATOM 58 HE ARG A 5 15.873 23.058 12.728 1.00 0.00 H ATOM 59 HH12 ARG A 5 19.217 24.651 14.389 1.00 0.00 H ATOM 60 HH11 ARG A 5 18.486 23.256 15.150 1.00 0.00 H ATOM 61 HH22 ARG A 5 18.318 25.558 12.513 1.00 0.00 H ATOM 62 HH21 ARG A 5 16.893 24.878 11.769 1.00 0.00 H ATOM 63 N CYS A 6 13.753 25.440 16.607 1.00 12.58 N ATOM 64 CA CYS A 6 14.327 26.640 17.207 1.00 12.42 C ATOM 65 C CYS A 6 13.387 27.350 18.192 1.00 11.86 C ATOM 66 O CYS A 6 13.870 28.122 19.020 1.00 13.27 O ATOM 67 CB CYS A 6 14.715 27.612 16.086 1.00 13.64 C ATOM 68 SG CYS A 6 16.083 27.039 15.041 1.00 16.20 S ATOM 69 H CYS A 6 13.398 25.506 15.664 1.00 0.00 H ATOM 70 N GLU A 7 12.077 27.047 18.163 1.00 12.12 N ATOM 71 CA GLU A 7 11.114 27.459 19.183 1.00 12.07 C ATOM 72 C GLU A 7 11.405 26.732 20.508 1.00 11.12 C ATOM 73 O GLU A 7 11.437 27.382 21.553 1.00 12.80 O ATOM 74 CB GLU A 7 9.682 27.156 18.691 1.00 16.60 C ATOM 75 CG GLU A 7 8.555 27.544 19.678 1.00 18.77 C ATOM 76 CD GLU A 7 7.191 26.934 19.346 1.00 21.58 C ATOM 77 OE1 GLU A 7 7.146 25.920 18.615 1.00 21.23 O ATOM 78 OE2 GLU A 7 6.203 27.482 19.882 1.00 26.51 O1- ATOM 79 H GLU A 7 11.755 26.384 17.471 1.00 0.00 H ATOM 80 N LEU A 8 11.667 25.411 20.453 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 23.091 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 11.239 22.218 23.506 1.00 14.29 C ATOM 87 CD2 LEU A 8 12.330 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 15.755 26.946 22.545 1.00 12.02 C ATOM 92 O ALA A 9 16.428 26.991 23.574 1.00 11.55 O ATOM 93 CB ALA A 9 16.615 25.826 20.446 1.00 13.31 C ATOM 94 H ALA A 9 14.201 25.179 20.317 1.00 0.00 H ATOM 95 N ARG A 10 14.959 27.957 22.155 1.00 11.89 N ATOM 96 CA ARG A 10 14.794 29.204 22.903 1.00 12.26 C ATOM 97 C ARG A 10 13.939 29.024 24.170 1.00 11.30 C ATOM 98 O ARG A 10 14.198 29.715 25.153 1.00 13.37 O ATOM 99 CB ARG A 10 14.115 30.261 22.011 1.00 15.41 C ATOM 100 CG ARG A 10 15.022 30.785 20.884 1.00 17.40 C ATOM 101 CD ARG A 10 14.393 31.949 20.107 1.00 21.37 C ATOM 102 NE ARG A 10 13.186 31.525 19.381 1.00 20.21 N ATOM 103 CZ ARG A 10 13.126 31.142 18.095 1.00 19.83 C ATOM 104 NH1 ARG A 10 14.223 31.089 17.327 1.00 20.32 N ATOM 105 NH2 ARG A 10 11.941 30.802 17.571 1.00 23.03 N1+ ATOM 106 H ARG A 10 14.424 27.847 21.304 1.00 0.00 H ATOM 107 HE ARG A 10 12.332 31.518 19.920 1.00 0.00 H ATOM 108 HH12 ARG A 10 14.160 30.829 16.354 1.00 0.00 H ATOM 109 HH11 ARG A 10 15.129 31.312 17.721 1.00 0.00 H ATOM 110 HH22 ARG A 10 11.870 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 26.332 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 25.903 1.00 12.75 C ATOM 127 CD1 LEU A 12 15.069 22.011 25.061 1.00 17.07 C ATOM 128 CD2 LEU A 12 13.668 22.396 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 27.292 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 30.575 25.302 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 25.672 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 27.417 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 31.007 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 29.347 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 29.641 1.00 13.14 C ATOM 191 CG MET A 17 16.395 22.943 30.328 1.00 14.11 C ATOM 192 SD MET A 17 16.646 21.526 31.435 1.00 18.03 S ATOM 193 CE MET A 17 15.827 20.226 30.479 1.00 24.42 C ATOM 194 H MET A 17 17.464 25.850 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 27.906 26.526 1.00 29.13 O1- ATOM 203 H ASP A 18 19.849 26.049 29.314 1.00 0.00 H ATOM 204 N GLY A 19 23.697 24.331 29.787 1.00 12.95 N ATOM 205 CA GLY A 19 24.774 24.116 30.746 1.00 15.05 C ATOM 206 C GLY A 19 24.325 23.552 32.102 1.00 12.69 C ATOM 207 O GLY A 19 25.160 23.475 33.003 1.00 15.26 O ATOM 208 H GLY A 19 23.517 23.578 29.136 1.00 0.00 H ATOM 209 N TYR A 20 23.045 23.156 32.268 1.00 13.11 N ATOM 210 CA TYR A 20 22.515 22.597 33.516 1.00 11.95 C ATOM 211 C TYR A 20 23.118 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 20.202 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 19.764 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 19.075 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 19.001 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 18.850 36.958 1.00 25.30 C ATOM 229 CD ARG A 21 23.883 18.300 38.103 1.00 33.61 C ATOM 230 NE ARG A 21 23.988 16.839 37.994 1.00 56.79 N ATOM 231 CZ ARG A 21 24.916 16.032 38.527 1.00 61.31 C ATOM 232 NH1 ARG A 21 25.902 16.509 39.297 1.00 60.56 N ATOM 233 NH2 ARG A 21 24.845 14.718 38.277 1.00 45.90 N1+ ATOM 234 H ARG A 21 24.022 21.880 35.429 1.00 0.00 H ATOM 235 HE ARG A 21 23.253 16.390 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 25.957 17.499 39.489 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 14.347 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 17.379 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 20.611 24.689 1.00 13.62 O ATOM 260 H SER A 24 25.562 20.023 27.373 1.00 0.00 H ATOM 261 HG SER A 24 26.164 20.667 24.007 1.00 0.00 H ATOM 262 N LEU A 25 22.646 22.768 25.613 1.00 12.17 N ATOM 263 CA LEU A 25 21.343 22.864 24.953 1.00 12.23 C ATOM 264 C LEU A 25 21.202 21.942 23.726 1.00 12.01 C ATOM 265 O LEU A 25 20.113 21.436 23.471 1.00 12.74 O ATOM 266 CB ALEU A 25 21.118 24.343 24.592 0.60 14.96 C ATOM 267 CB BLEU A 25 21.113 24.252 24.416 0.40 14.11 C ATOM 268 CG ALEU A 25 19.773 24.695 23.929 0.60 13.26 C ATOM 269 CG BLEU A 25 20.522 25.236 25.409 0.40 14.92 C ATOM 270 CD1ALEU A 25 18.571 24.388 24.831 0.60 18.00 C ATOM 271 CD1BLEU A 25 20.169 26.550 24.693 0.40 24.21 C ATOM 272 CD2ALEU A 25 19.780 26.170 23.521 0.60 15.14 C ATOM 273 CD2BLEU A 25 19.278 24.653 26.059 0.40 17.27 C ATOM 274 H LEU A 25 23.168 23.630 25.707 1.00 0.00 H ATOM 275 N ALA A 26 22.308 21.680 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 23.306 1.00 0.00 H ATOM 281 N ASN A 27 22.557 18.867 23.399 1.00 11.30 N ATOM 282 CA ASN A 27 22.316 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 20.349 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 19.680 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 20.570 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 19.412 19.250 29.921 1.00 11.35 C ATOM 302 CE3 TRP A 28 17.857 17.700 28.894 1.00 12.47 C ATOM 303 CZ2 TRP A 28 19.232 18.640 31.173 1.00 13.34 C ATOM 304 CZ3 TRP A 28 17.677 17.069 30.142 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 20.874 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 17.437 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 18.187 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 17.530 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 12.086 26.076 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 15.274 15.365 23.113 1.00 11.51 N ATOM 334 CA ALA A 32 13.874 15.678 22.821 1.00 11.12 C ATOM 335 C ALA A 32 13.430 15.284 21.401 1.00 11.09 C ATOM 336 O ALA A 32 12.264 14.935 21.208 1.00 13.12 O ATOM 337 CB ALA A 32 13.656 17.184 23.023 1.00 12.81 C ATOM 338 H ALA A 32 15.878 16.141 23.349 1.00 0.00 H ATOM 339 N LYS A 33 14.357 15.304 20.424 1.00 10.96 N ATOM 340 CA LYS A 33 14.105 14.937 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 15.295 15.593 20.665 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 14.204 14.607 12.847 1.00 0.00 H ATOM 352 N TRP A 34 14.743 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 13.863 10.415 20.367 1.00 13.18 C ATOM 355 O TRP A 34 13.552 9.249 20.128 1.00 18.23 O ATOM 356 CB TRP A 34 16.201 10.659 19.453 1.00 14.44 C ATOM 357 CG TRP A 34 17.001 11.036 18.243 1.00 13.70 C ATOM 358 CD1 TRP A 34 18.056 11.879 18.215 1.00 14.63 C ATOM 359 CD2 TRP A 34 16.778 10.631 16.857 1.00 16.12 C ATOM 360 NE1 TRP A 34 18.479 12.049 16.914 1.00 17.71 N ATOM 361 CE2 TRP A 34 17.725 11.308 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 11.155 14.634 1.00 23.07 C ATOM 364 CZ3 TRP A 34 15.874 9.608 14.809 1.00 23.60 C ATOM 365 CH2 TRP A 34 16.815 10.300 14.022 1.00 24.86 C ATOM 366 H TRP A 34 15.463 13.016 20.110 1.00 0.00 H ATOM 367 HE1 TRP A 34 19.229 12.682 16.664 1.00 0.00 H ATOM 368 N GLU A 35 13.407 11.082 21.440 1.00 12.38 N ATOM 369 CA GLU A 35 12.441 10.525 22.383 1.00 13.11 C ATOM 370 C GLU A 35 11.001 10.763 21.894 1.00 13.40 C ATOM 371 O GLU A 35 10.179 9.858 22.024 1.00 14.31 O ATOM 372 CB GLU A 35 12.618 11.217 23.757 1.00 13.51 C ATOM 373 CG GLU A 35 13.860 10.751 24.553 1.00 13.78 C ATOM 374 CD GLU A 35 13.845 9.296 25.041 1.00 15.30 C ATOM 375 OE1 GLU A 35 12.848 8.583 24.796 1.00 17.48 O ATOM 376 OE2 GLU A 35 14.862 8.909 25.654 1.00 19.70 O1- ATOM 377 H GLU A 35 13.733 12.025 21.602 1.00 0.00 H ATOM 378 N SER A 36 10.686 11.942 21.326 1.00 13.52 N ATOM 379 CA SER A 36 9.307 12.360 21.046 1.00 13.25 C ATOM 380 C SER A 36 9.068 13.006 19.674 1.00 13.07 C ATOM 381 O SER A 36 7.910 13.136 19.277 1.00 15.89 O ATOM 382 CB SER A 36 8.807 13.245 22.200 1.00 13.02 C ATOM 383 OG SER A 36 9.353 14.546 22.100 1.00 13.33 O ATOM 384 H SER A 36 11.415 12.634 21.225 1.00 0.00 H ATOM 385 HG SER A 36 10.273 14.505 22.320 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 8.974 16.404 17.236 1.00 16.12 O ATOM 390 H GLY A 37 11.052 13.306 19.337 1.00 0.00 H ATOM 391 N TYR A 38 9.757 16.204 19.355 1.00 12.50 N ATOM 392 CA TYR A 38 9.408 17.516 19.912 1.00 12.41 C ATOM 393 C TYR A 38 7.939 17.616 20.377 1.00 12.36 C ATOM 394 O TYR A 38 7.436 18.721 20.580 1.00 15.84 O ATOM 395 CB TYR A 38 9.859 18.701 19.021 1.00 13.48 C ATOM 396 CG TYR A 38 11.299 18.706 18.534 1.00 12.71 C ATOM 397 CD1 TYR A 38 12.362 18.411 19.412 1.00 13.92 C ATOM 398 CD2 TYR A 38 11.582 19.048 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 18.867 17.186 1.00 16.66 O ATOM 403 H TYR A 38 10.213 15.567 19.995 1.00 0.00 H ATOM 404 HH TYR A 38 15.885 18.636 17.859 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 16.358 20.849 1.00 13.00 C ATOM 407 C ASN A 39 5.658 16.170 22.366 1.00 12.31 C ATOM 408 O ASN A 39 6.110 15.175 22.931 1.00 13.82 O ATOM 409 CB ASN A 39 5.298 15.110 20.102 1.00 14.34 C ATOM 410 CG ASN A 39 3.779 14.906 20.178 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 15.606 20.373 1.00 0.00 H ATOM 414 HD22 ASN A 39 2.336 13.496 19.927 1.00 0.00 H ATOM 415 HD21 ASN A 39 3.973 12.957 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 4.579 17.053 24.426 1.00 12.68 C ATOM 418 C THR A 40 3.458 16.039 24.722 1.00 12.56 C ATOM 419 O THR A 40 3.307 15.645 25.873 1.00 15.38 O ATOM 420 CB THR A 40 4.124 18.452 24.914 1.00 13.66 C ATOM 421 OG1 THR A 40 2.877 18.861 24.376 1.00 14.74 O ATOM 422 CG2 THR A 40 5.151 19.565 24.688 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 2.513 19.513 24.958 1.00 0.00 H ATOM 425 N ARG A 41 2.681 15.615 23.713 1.00 13.38 N ATOM 426 CA ARG A 41 1.553 14.698 23.873 1.00 16.46 C ATOM 427 C ARG A 41 1.994 13.221 23.728 1.00 15.27 C ATOM 428 O ARG A 41 1.165 12.324 23.881 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 14.595 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 21.872 0.50 41.14 N ATOM 436 NE BARG A 41 0.508 11.430 21.568 0.50 47.48 N ATOM 437 CZ AARG A 41 -3.641 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 2.867 15.967 22.783 1.00 0.00 H ATOM 444 HE AARG A 41 -2.088 12.545 21.314 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 13.491 23.874 0.50 0.00 H ATOM 447 HH12BARG A 41 -0.192 9.171 23.759 0.50 0.00 H ATOM 448 HH11AARG A 41 -3.961 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 -3.603 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 23.437 1.00 15.38 N ATOM 455 CA ALA A 42 3.852 11.632 23.214 1.00 15.24 C ATOM 456 C ALA A 42 3.748 10.740 24.461 1.00 14.57 C ATOM 457 O ALA A 42 4.082 11.166 25.567 1.00 14.15 O ATOM 458 CB ALA A 42 5.323 11.790 22.803 1.00 19.09 C ATOM 459 H ALA A 42 3.912 13.744 23.354 1.00 0.00 H ATOM 460 N THR A 43 3.295 9.495 24.253 1.00 16.63 N ATOM 461 CA THR A 43 3.192 8.436 25.252 1.00 16.63 C ATOM 462 C THR A 43 3.664 7.109 24.650 1.00 17.66 C ATOM 463 O THR A 43 3.371 6.812 23.491 1.00 23.52 O ATOM 464 CB THR A 43 1.785 8.357 25.899 1.00 21.44 C ATOM 465 OG1 THR A 43 0.791 8.044 24.940 1.00 28.38 O ATOM 466 CG2 THR A 43 1.369 9.607 26.685 1.00 24.72 C ATOM 467 H THR A 43 3.038 9.237 23.311 1.00 0.00 H ATOM 468 HG1 THR A 43 1.028 7.233 24.515 1.00 0.00 H ATOM 469 N ASN A 44 4.362 6.307 25.463 1.00 17.38 N ATOM 470 CA ASN A 44 4.850 4.975 25.129 1.00 17.36 C ATOM 471 C ASN A 44 4.630 4.083 26.350 1.00 16.77 C ATOM 472 O ASN A 44 5.302 4.263 27.363 1.00 16.39 O ATOM 473 CB ASN A 44 6.323 5.067 24.670 1.00 21.27 C ATOM 474 CG ASN A 44 6.937 3.708 24.323 1.00 33.34 C ATOM 475 OD1 ASN A 44 6.488 3.040 23.395 1.00 40.32 O ATOM 476 ND2 ASN A 44 7.937 3.279 25.098 1.00 43.32 N ATOM 477 H ASN A 44 4.574 6.643 26.394 1.00 0.00 H ATOM 478 HD22 ASN A 44 8.352 2.375 24.930 1.00 0.00 H ATOM 479 HD21 ASN A 44 8.261 3.844 25.876 1.00 0.00 H ATOM 480 N TYR A 45 3.717 3.106 26.233 1.00 20.06 N ATOM 481 CA TYR A 45 3.501 2.073 27.240 1.00 19.26 C ATOM 482 C TYR A 45 4.515 0.946 27.009 1.00 18.33 C ATOM 483 O TYR A 45 4.612 0.394 25.912 1.00 21.79 O ATOM 484 CB TYR A 45 2.075 1.498 27.092 1.00 21.83 C ATOM 485 CG TYR A 45 1.730 0.402 28.093 1.00 20.44 C ATOM 486 CD1 TYR A 45 1.815 0.660 29.476 1.00 22.19 C ATOM 487 CD2 TYR A 45 1.349 -0.882 27.652 1.00 22.96 C ATOM 488 CE1 TYR A 45 1.517 -0.344 30.414 1.00 21.20 C ATOM 489 CE2 TYR A 45 1.046 -1.890 28.588 1.00 22.77 C ATOM 490 CZ TYR A 45 1.130 -1.621 29.969 1.00 22.00 C ATOM 491 OH TYR A 45 0.836 -2.597 30.874 1.00 25.95 O ATOM 492 H TYR A 45 3.217 3.014 25.361 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 5.245 0.605 28.076 1.00 17.53 N ATOM 495 CA ASN A 46 6.195 -0.496 28.140 1.00 18.07 C ATOM 496 C ASN A 46 5.448 -1.662 28.797 1.00 16.83 C ATOM 497 O ASN A 46 5.257 -1.684 30.012 1.00 18.09 O ATOM 498 CB ASN A 46 7.395 -0.069 29.020 1.00 19.02 C ATOM 499 CG ASN A 46 8.132 1.147 28.452 1.00 21.80 C ATOM 500 OD1 ASN A 46 8.722 1.068 27.377 1.00 27.14 O ATOM 501 ND2 ASN A 46 8.065 2.283 29.149 1.00 24.42 N ATOM 502 H ASN A 46 5.085 1.106 28.942 1.00 0.00 H ATOM 503 HD22 ASN A 46 8.504 3.120 28.777 1.00 0.00 H ATOM 504 HD21 ASN A 46 7.575 2.311 30.031 1.00 0.00 H ATOM 505 N ALA A 47 4.996 -2.621 27.973 1.00 19.59 N ATOM 506 CA ALA A 47 4.173 -3.759 28.386 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 -5.554 29.964 1.00 24.61 O ATOM 509 CB ALA A 47 3.628 -4.440 27.120 1.00 27.76 C ATOM 510 H ALA A 47 5.175 -2.518 26.984 1.00 0.00 H ATOM 511 N GLY A 48 6.274 -4.826 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 32.092 1.00 24.08 O ATOM 515 H GLY A 48 6.717 -4.164 28.514 1.00 0.00 H ATOM 516 N ASP A 49 7.115 -4.230 31.782 1.00 18.77 N ATOM 517 CA ASP A 49 7.279 -3.803 33.175 1.00 20.35 C ATOM 518 C ASP A 49 6.075 -2.993 33.693 1.00 17.80 C ATOM 519 O ASP A 49 5.993 -2.754 34.895 1.00 21.18 O ATOM 520 CB ASP A 49 8.664 -3.128 33.371 1.00 20.26 C ATOM 521 CG ASP A 49 8.841 -1.708 32.810 1.00 24.33 C ATOM 522 OD1 ASP A 49 7.970 -1.252 32.038 1.00 19.65 O ATOM 523 OD2 ASP A 49 9.836 -1.070 33.216 1.00 32.10 O1- ATOM 524 H ASP A 49 6.922 -3.508 31.101 1.00 0.00 H ATOM 525 N ARG A 50 5.147 -2.580 32.813 1.00 19.86 N ATOM 526 CA ARG A 50 3.879 -1.901 33.106 1.00 19.68 C ATOM 527 C ARG A 50 4.019 -0.394 33.388 1.00 18.06 C ATOM 528 O ARG A 50 3.068 0.227 33.863 1.00 22.50 O ATOM 529 CB ARG A 50 2.991 -2.664 34.121 1.00 26.39 C ATOM 530 CG ARG A 50 2.643 -4.091 33.667 1.00 33.44 C ATOM 531 CD ARG A 50 1.817 -4.863 34.706 1.00 35.73 C ATOM 532 NE ARG A 50 2.628 -5.902 35.356 1.00 39.51 N ATOM 533 CZ ARG A 50 2.174 -7.046 35.895 1.00 35.58 C ATOM 534 NH1 ARG A 50 0.867 -7.348 35.904 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 -2.775 31.836 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 35.499 1.00 0.00 H ATOM 540 HH22 ARG A 50 2.729 -8.768 36.849 1.00 0.00 H ATOM 541 HH21 ARG A 50 4.036 -7.696 36.434 1.00 0.00 H ATOM 542 N SER A 51 5.185 0.199 33.078 1.00 16.75 N ATOM 543 CA SER A 51 5.426 1.639 33.142 1.00 15.62 C ATOM 544 C SER A 51 5.040 2.308 31.811 1.00 15.04 C ATOM 545 O SER A 51 4.920 1.648 30.778 1.00 16.06 O ATOM 546 CB SER A 51 6.921 1.884 33.446 1.00 14.40 C ATOM 547 OG SER A 51 7.786 1.555 32.375 1.00 15.71 O ATOM 548 H SER A 51 5.914 -0.372 32.671 1.00 0.00 H ATOM 549 HG SER A 51 7.814 0.609 32.273 1.00 0.00 H ATOM 550 N THR A 52 4.859 3.634 31.854 1.00 13.80 N ATOM 551 CA THR A 52 4.582 4.489 30.706 1.00 11.94 C ATOM 552 C THR A 52 5.588 5.647 30.729 1.00 12.46 C ATOM 553 O THR A 52 5.826 6.251 31.774 1.00 13.36 O ATOM 554 CB THR A 52 3.112 4.974 30.745 1.00 13.80 C ATOM 555 OG1 THR A 52 2.229 3.877 30.725 1.00 15.81 O ATOM 556 CG2 THR A 52 2.721 5.872 29.555 1.00 13.89 C ATOM 557 H THR A 52 4.965 4.105 32.745 1.00 0.00 H ATOM 558 HG1 THR A 52 2.425 3.334 31.474 1.00 0.00 H ATOM 559 N ASP A 53 6.149 5.969 29.559 1.00 12.43 N ATOM 560 CA ASP A 53 6.993 7.137 29.319 1.00 12.59 C ATOM 561 C ASP A 53 6.097 8.274 28.814 1.00 12.09 C ATOM 562 O ASP A 53 5.274 8.056 27.927 1.00 13.31 O ATOM 563 CB ASP A 53 8.016 6.805 28.217 1.00 14.50 C ATOM 564 CG ASP A 53 8.899 5.598 28.532 1.00 17.20 C ATOM 565 OD1 ASP A 53 9.469 5.580 29.645 1.00 20.85 O ATOM 566 OD2 ASP A 53 8.972 4.701 27.664 1.00 22.38 O1- ATOM 567 H ASP A 53 5.910 5.410 28.749 1.00 0.00 H ATOM 568 N TYR A 54 6.244 9.469 29.404 1.00 12.07 N ATOM 569 CA TYR A 54 5.372 10.623 29.192 1.00 11.10 C ATOM 570 C TYR A 54 6.159 11.847 28.721 1.00 11.14 C ATOM 571 O TYR A 54 7.203 12.182 29.282 1.00 11.73 O ATOM 572 CB TYR A 54 4.665 10.969 30.514 1.00 13.10 C ATOM 573 CG TYR A 54 3.596 9.989 30.944 1.00 11.22 C ATOM 574 CD1 TYR A 54 3.910 8.928 31.814 1.00 13.36 C ATOM 575 CD2 TYR A 54 2.268 10.163 30.505 1.00 13.72 C ATOM 576 CE1 TYR A 54 2.890 8.069 32.263 1.00 12.26 C ATOM 577 CE2 TYR A 54 1.253 9.289 30.938 1.00 13.52 C ATOM 578 CZ TYR A 54 1.565 8.242 31.824 1.00 12.36 C ATOM 579 OH TYR A 54 0.593 7.390 32.257 1.00 13.90 O ATOM 580 H TYR A 54 6.944 9.556 30.129 1.00 0.00 H ATOM 581 HH TYR A 54 0.921 6.760 32.889 1.00 0.00 H ATOM 582 N GLY A 55 5.585 12.567 27.750 1.00 12.01 N ATOM 583 CA GLY A 55 5.982 13.914 27.377 1.00 11.22 C ATOM 584 C GLY A 55 7.107 13.999 26.350 1.00 11.31 C ATOM 585 O GLY A 55 7.490 13.009 25.726 1.00 11.64 O ATOM 586 H GLY A 55 4.752 12.201 27.308 1.00 0.00 H ATOM 587 N ILE A 56 7.620 15.228 26.191 1.00 11.13 N ATOM 588 CA ILE A 56 8.656 15.621 25.237 1.00 11.06 C ATOM 589 C ILE A 56 10.033 14.974 25.509 1.00 10.21 C ATOM 590 O ILE A 56 10.827 14.825 24.582 1.00 12.58 O ATOM 591 CB ILE A 56 8.723 17.175 25.202 1.00 12.23 C ATOM 592 CG1 ILE A 56 9.489 17.698 23.968 1.00 12.28 C ATOM 593 CG2 ILE A 56 9.259 17.803 26.508 1.00 13.92 C ATOM 594 CD1 ILE A 56 9.156 19.152 23.609 1.00 18.90 C ATOM 595 H ILE A 56 7.229 15.969 26.755 1.00 0.00 H ATOM 596 N PHE A 57 10.301 14.566 26.761 1.00 10.80 N ATOM 597 CA PHE A 57 11.531 13.888 27.170 1.00 11.58 C ATOM 598 C PHE A 57 11.313 12.392 27.445 1.00 12.60 C ATOM 599 O PHE A 57 12.302 11.697 27.661 1.00 14.93 O ATOM 600 CB PHE A 57 12.070 14.564 28.450 1.00 13.21 C ATOM 601 CG PHE A 57 12.535 15.999 28.260 1.00 13.29 C ATOM 602 CD1 PHE A 57 13.536 16.299 27.311 1.00 15.83 C ATOM 603 CD2 PHE A 57 11.980 17.036 29.040 1.00 17.07 C ATOM 604 CE1 PHE A 57 13.980 17.625 27.143 1.00 21.11 C ATOM 605 CE2 PHE A 57 12.426 18.361 28.875 1.00 22.69 C ATOM 606 CZ PHE A 57 13.427 18.654 27.929 1.00 22.40 C ATOM 607 H PHE A 57 9.603 14.727 27.471 1.00 0.00 H ATOM 608 N GLN A 58 10.061 11.889 27.446 1.00 11.15 N ATOM 609 CA GLN A 58 9.687 10.479 27.655 1.00 11.59 C ATOM 610 C GLN A 58 10.126 9.977 29.041 1.00 12.28 C ATOM 611 O GLN A 58 10.847 8.988 29.172 1.00 16.38 O ATOM 612 CB GLN A 58 10.179 9.590 26.489 1.00 12.66 C ATOM 613 CG GLN A 58 9.402 9.803 25.180 1.00 12.90 C ATOM 614 CD GLN A 58 7.975 9.257 25.228 1.00 13.93 C ATOM 615 OE1 GLN A 58 7.760 8.054 25.113 1.00 15.93 O ATOM 616 NE2 GLN A 58 6.989 10.140 25.380 1.00 13.81 N ATOM 617 H GLN A 58 9.304 12.524 27.237 1.00 0.00 H ATOM 618 HE22 GLN A 58 6.032 9.821 25.425 1.00 0.00 H ATOM 619 HE21 GLN A 58 7.199 11.127 25.463 1.00 0.00 H ATOM 620 N THR A 59 9.710 10.716 30.076 1.00 11.14 N ATOM 621 CA THR A 59 10.045 10.495 31.476 1.00 12.69 C ATOM 622 C THR A 59 9.140 9.377 32.025 1.00 11.92 C ATOM 623 O THR A 59 7.913 9.457 31.931 1.00 12.81 O ATOM 624 CB THR A 59 9.795 11.838 32.200 1.00 0.00 C ATOM 625 OG1 THR A 59 10.827 12.736 31.835 1.00 0.00 O ATOM 626 CG2 THR A 59 9.799 11.770 33.731 1.00 0.00 C ATOM 627 HG1 THR A 59 10.818 12.834 30.895 1.00 0.00 H ATOM 628 H THR A 59 9.093 11.491 29.872 1.00 0.00 H ATOM 629 N ASN A 60 9.777 8.330 32.571 1.00 13.13 N ATOM 630 CA ASN A 60 9.162 7.068 32.973 1.00 12.23 C ATOM 631 C ASN A 60 8.454 7.187 34.336 1.00 12.37 C ATOM 632 O ASN A 60 8.946 7.828 35.265 1.00 15.10 O ATOM 633 CB ASN A 60 10.289 6.016 33.063 1.00 14.92 C ATOM 634 CG ASN A 60 9.748 4.588 33.148 1.00 15.27 C ATOM 635 OD1 ASN A 60 9.647 4.028 34.236 1.00 18.11 O ATOM 636 ND2 ASN A 60 9.392 4.003 32.006 1.00 18.70 N ATOM 637 H ASN A 60 10.785 8.367 32.605 1.00 0.00 H ATOM 638 HD22 ASN A 60 9.010 3.064 32.022 1.00 0.00 H ATOM 639 HD21 ASN A 60 9.480 4.507 31.126 1.00 0.00 H ATOM 640 N SER A 61 7.292 6.527 34.433 1.00 12.35 N ATOM 641 CA SER A 61 6.366 6.570 35.559 1.00 12.09 C ATOM 642 C SER A 61 6.663 5.572 36.695 1.00 13.49 C ATOM 643 O SER A 61 5.925 5.567 37.681 1.00 15.29 O ATOM 644 CB SER A 61 4.963 6.313 34.986 1.00 14.79 C ATOM 645 OG SER A 61 4.821 5.012 34.453 1.00 13.83 O ATOM 646 H SER A 61 6.963 6.033 33.613 1.00 0.00 H ATOM 647 HG SER A 61 4.622 4.413 35.161 1.00 0.00 H ATOM 648 N ARG A 62 7.729 4.755 36.606 1.00 15.46 N ATOM 649 CA ARG A 62 8.187 3.939 37.735 1.00 16.61 C ATOM 650 C ARG A 62 9.107 4.747 38.666 1.00 16.86 C ATOM 651 O ARG A 62 9.149 4.463 39.860 1.00 26.96 O ATOM 652 CB ARG A 62 8.953 2.698 37.223 1.00 19.91 C ATOM 653 CG ARG A 62 9.532 1.818 38.354 1.00 26.96 C ATOM 654 CD ARG A 62 9.829 0.382 37.927 1.00 41.99 C ATOM 655 NE ARG A 62 8.618 -0.439 38.063 1.00 38.78 N ATOM 656 CZ ARG A 62 7.872 -0.928 37.062 1.00 40.02 C ATOM 657 NH1 ARG A 62 8.191 -0.719 35.782 1.00 45.48 N ATOM 658 NH2 ARG A 62 6.777 -1.637 37.346 1.00 51.32 N1+ ATOM 659 H ARG A 62 8.292 4.766 35.766 1.00 0.00 H ATOM 660 HE ARG A 62 8.303 -0.602 39.010 1.00 0.00 H ATOM 661 HH12 ARG A 62 7.616 -1.108 35.047 1.00 0.00 H ATOM 662 HH11 ARG A 62 9.034 -0.222 35.528 1.00 0.00 H ATOM 663 HH22 ARG A 62 6.237 -2.052 36.595 1.00 0.00 H ATOM 664 HH21 ARG A 62 6.469 -1.731 38.304 1.00 0.00 H ATOM 665 N TYR A 63 9.855 5.728 38.141 1.00 17.34 N ATOM 666 CA TYR A 63 10.932 6.384 38.879 1.00 17.97 C ATOM 667 C TYR A 63 10.662 7.868 39.138 1.00 16.02 C ATOM 668 O TYR A 63 11.134 8.379 40.152 1.00 19.73 O ATOM 669 CB TYR A 63 12.245 6.199 38.094 1.00 25.58 C ATOM 670 CG TYR A 63 12.655 4.745 37.927 1.00 28.37 C ATOM 671 CD1 TYR A 63 13.062 3.991 39.047 1.00 32.48 C ATOM 672 CD2 TYR A 63 12.589 4.133 36.658 1.00 34.89 C ATOM 673 CE1 TYR A 63 13.391 2.629 38.901 1.00 37.71 C ATOM 674 CE2 TYR A 63 12.920 2.772 36.511 1.00 35.23 C ATOM 675 CZ TYR A 63 13.318 2.019 37.633 1.00 35.13 C ATOM 676 OH TYR A 63 13.625 0.697 37.496 1.00 45.56 O ATOM 677 H TYR A 63 9.767 5.928 37.155 1.00 0.00 H ATOM 678 HH TYR A 63 13.573 0.394 36.602 1.00 0.00 H ATOM 679 N TRP A 64 9.935 8.562 38.245 1.00 13.82 N ATOM 680 CA TRP A 64 9.966 10.023 38.150 1.00 13.15 C ATOM 681 C TRP A 64 8.609 10.681 38.399 1.00 11.80 C ATOM 682 O TRP A 64 8.525 11.551 39.263 1.00 15.36 O ATOM 683 CB TRP A 64 10.585 10.421 36.799 1.00 13.45 C ATOM 684 CG TRP A 64 11.960 9.868 36.575 1.00 14.00 C ATOM 685 CD1 TRP A 64 12.315 8.977 35.622 1.00 16.69 C ATOM 686 CD2 TRP A 64 13.161 10.114 37.365 1.00 15.23 C ATOM 687 NE1 TRP A 64 13.642 8.632 35.787 1.00 17.44 N ATOM 688 CE2 TRP A 64 14.210 9.285 36.863 1.00 15.85 C ATOM 689 CE3 TRP A 64 13.471 10.955 38.458 1.00 16.08 C ATOM 690 CZ2 TRP A 64 15.492 9.270 37.438 1.00 17.87 C ATOM 691 CZ3 TRP A 64 14.751 10.947 39.047 1.00 17.34 C ATOM 692 CH2 TRP A 64 15.757 10.103 38.540 1.00 18.86 C ATOM 693 H TRP A 64 9.539 8.065 37.459 1.00 0.00 H ATOM 694 HE1 TRP A 64 14.112 7.969 35.188 1.00 0.00 H ATOM 695 N CYS A 65 7.551 10.259 37.692 1.00 14.31 N ATOM 696 CA CYS A 65 6.187 10.769 37.857 1.00 12.60 C ATOM 697 C CYS A 65 5.259 9.639 38.326 1.00 14.32 C ATOM 698 O CYS A 65 5.586 8.465 38.171 1.00 14.95 O ATOM 699 CB CYS A 65 5.726 11.439 36.545 1.00 13.50 C ATOM 700 SG CYS A 65 5.480 10.367 35.094 1.00 14.34 S ATOM 701 H CYS A 65 7.685 9.523 37.014 1.00 0.00 H ATOM 702 N ASN A 66 4.097 9.993 38.894 1.00 13.49 N ATOM 703 CA ASN A 66 3.055 9.049 39.300 1.00 12.07 C ATOM 704 C ASN A 66 1.872 9.157 38.327 1.00 13.15 C ATOM 705 O ASN A 66 1.325 10.241 38.128 1.00 12.75 O ATOM 706 CB ASN A 66 2.595 9.424 40.728 1.00 15.96 C ATOM 707 CG ASN A 66 1.588 8.437 41.327 1.00 19.44 C ATOM 708 OD1 ASN A 66 1.804 7.228 41.299 1.00 21.93 O ATOM 709 ND2 ASN A 66 0.461 8.945 41.828 1.00 22.57 N ATOM 710 H ASN A 66 3.903 10.979 39.019 1.00 0.00 H ATOM 711 HD22 ASN A 66 -0.233 8.325 42.221 1.00 0.00 H ATOM 712 HD21 ASN A 66 0.305 9.943 41.819 1.00 0.00 H ATOM 713 N ASP A 67 1.453 8.010 37.773 1.00 12.42 N ATOM 714 CA ASP A 67 0.209 7.843 37.013 1.00 13.42 C ATOM 715 C ASP A 67 -0.785 6.943 37.779 1.00 13.40 C ATOM 716 O ASP A 67 -1.899 6.730 37.301 1.00 16.86 O ATOM 717 CB ASP A 67 0.516 7.306 35.589 1.00 12.34 C ATOM 718 CG ASP A 67 1.124 5.902 35.446 1.00 13.28 C ATOM 719 OD1 ASP A 67 1.402 5.243 36.474 1.00 14.28 O ATOM 720 OD2 ASP A 67 1.286 5.500 34.272 1.00 14.87 O1- ATOM 721 H ASP A 67 1.988 7.170 37.946 1.00 0.00 H ATOM 722 N GLY A 68 -0.392 6.425 38.957 1.00 13.31 N ATOM 723 CA GLY A 68 -1.201 5.612 39.860 1.00 14.71 C ATOM 724 C GLY A 68 -1.399 4.147 39.446 1.00 17.90 C ATOM 725 O GLY A 68 -1.989 3.398 40.223 1.00 27.90 O ATOM 726 H GLY A 68 0.540 6.650 39.275 1.00 0.00 H ATOM 727 N LYS A 69 -0.919 3.734 38.258 1.00 18.83 N ATOM 728 CA LYS A 69 -1.137 2.404 37.681 1.00 17.60 C ATOM 729 C LYS A 69 0.159 1.615 37.437 1.00 18.43 C ATOM 730 O LYS A 69 0.079 0.474 36.983 1.00 23.74 O ATOM 731 CB LYS A 69 -2.010 2.507 36.407 1.00 20.00 C ATOM 732 CG LYS A 69 -1.362 3.233 35.207 1.00 19.72 C ATOM 733 CD LYS A 69 -2.068 2.911 33.879 1.00 28.11 C ATOM 734 CE LYS A 69 -1.339 3.456 32.640 1.00 40.33 C ATOM 735 NZ LYS A 69 -1.500 4.912 32.503 1.00 48.89 N1+ ATOM 736 H LYS A 69 -0.425 4.406 37.687 1.00 0.00 H ATOM 737 HZ1 LYS A 69 -1.026 5.229 31.669 1.00 0.00 H ATOM 738 HZ2 LYS A 69 -2.481 5.146 32.448 1.00 0.00 H ATOM 739 HZ3 LYS A 69 -1.086 5.365 33.306 1.00 0.00 H ATOM 740 N THR A 70 1.336 2.194 37.730 1.00 17.05 N ATOM 741 CA THR A 70 2.635 1.543 37.554 1.00 18.01 C ATOM 742 C THR A 70 3.052 0.925 38.908 1.00 19.16 C ATOM 743 O THR A 70 3.188 1.672 39.879 1.00 22.32 O ATOM 744 CB THR A 70 3.679 2.606 37.138 1.00 17.38 C ATOM 745 OG1 THR A 70 3.277 3.139 35.895 1.00 16.08 O ATOM 746 CG2 THR A 70 5.088 2.022 36.919 1.00 18.56 C ATOM 747 H THR A 70 1.333 3.136 38.094 1.00 0.00 H ATOM 748 HG1 THR A 70 2.501 3.672 36.028 1.00 0.00 H ATOM 749 N PRO A 71 3.275 -0.411 38.995 1.00 20.91 N ATOM 750 CA PRO A 71 3.800 -1.088 40.195 1.00 23.96 C ATOM 751 C PRO A 71 5.180 -0.550 40.621 1.00 23.90 C ATOM 752 O PRO A 71 6.028 -0.290 39.769 1.00 25.80 O ATOM 753 CB PRO A 71 3.945 -2.571 39.805 1.00 25.33 C ATOM 754 CG PRO A 71 3.099 -2.764 38.560 1.00 29.02 C ATOM 755 CD PRO A 71 2.940 -1.377 37.947 1.00 23.02 C ATOM 756 N GLY A 72 5.414 -0.412 41.935 1.00 31.25 N ATOM 757 CA GLY A 72 6.701 -0.000 42.501 1.00 31.98 C ATOM 758 C GLY A 72 7.119 1.443 42.178 1.00 28.73 C ATOM 759 O GLY A 72 8.316 1.715 42.095 1.00 39.18 O ATOM 760 H GLY A 72 4.675 -0.641 42.585 1.00 0.00 H ATOM 761 N ALA A 73 6.143 2.345 41.962 1.00 25.80 N ATOM 762 CA ALA A 73 6.349 3.751 41.616 1.00 26.10 C ATOM 763 C ALA A 73 6.975 4.540 42.779 1.00 24.83 C ATOM 764 O ALA A 73 6.521 4.432 43.918 1.00 28.55 O ATOM 765 CB ALA A 73 5.000 4.379 41.234 1.00 30.47 C ATOM 766 H ALA A 73 5.186 2.030 42.032 1.00 0.00 H ATOM 767 N VAL A 74 8.023 5.322 42.475 1.00 25.08 N ATOM 768 CA VAL A 74 8.808 6.102 43.435 1.00 27.99 C ATOM 769 C VAL A 74 8.326 7.565 43.455 1.00 23.91 C ATOM 770 O VAL A 74 8.188 8.132 44.538 1.00 27.27 O ATOM 771 CB VAL A 74 10.308 6.030 43.023 1.00 26.11 C ATOM 772 CG1 VAL A 74 11.236 6.916 43.881 1.00 30.20 C ATOM 773 CG2 VAL A 74 10.829 4.579 43.046 1.00 34.73 C ATOM 774 H VAL A 74 8.351 5.310 41.518 1.00 0.00 H ATOM 775 N ASN A 75 8.095 8.174 42.274 1.00 22.30 N ATOM 776 CA ASN A 75 7.639 9.557 42.067 1.00 17.58 C ATOM 777 C ASN A 75 8.679 10.570 42.594 1.00 16.17 C ATOM 778 O ASN A 75 8.371 11.398 43.453 1.00 16.46 O ATOM 779 CB ASN A 75 6.209 9.762 42.640 1.00 17.90 C ATOM 780 CG ASN A 75 5.538 11.072 42.200 1.00 18.28 C ATOM 781 OD1 ASN A 75 5.942 11.695 41.222 1.00 18.76 O ATOM 782 ND2 ASN A 75 4.524 11.514 42.946 1.00 19.69 N ATOM 783 H ASN A 75 8.239 7.625 41.440 1.00 0.00 H ATOM 784 HD22 ASN A 75 4.059 12.374 42.694 1.00 0.00 H ATOM 785 HD21 ASN A 75 4.226 10.992 43.757 1.00 0.00 H ATOM 786 N ALA A 76 9.923 10.485 42.096 1.00 15.78 N ATOM 787 CA ALA A 76 11.056 11.289 42.560 1.00 15.84 C ATOM 788 C ALA A 76 10.990 12.776 42.158 1.00 16.60 C ATOM 789 O ALA A 76 11.643 13.592 42.809 1.00 18.71 O ATOM 790 CB ALA A 76 12.346 10.678 41.998 1.00 19.70 C ATOM 791 H ALA A 76 10.116 9.775 41.403 1.00 0.00 H ATOM 792 N CYS A 77 10.191 13.144 41.138 1.00 15.43 N ATOM 793 CA CYS A 77 9.927 14.538 40.760 1.00 15.15 C ATOM 794 C CYS A 77 8.734 15.125 41.532 1.00 15.94 C ATOM 795 O CYS A 77 8.594 16.347 41.568 1.00 16.72 O ATOM 796 CB CYS A 77 9.577 14.618 39.261 1.00 15.14 C ATOM 797 SG CYS A 77 10.932 14.124 38.168 1.00 14.34 S ATOM 798 H CYS A 77 9.686 12.425 40.636 1.00 0.00 H ATOM 799 N HIS A 78 7.878 14.275 42.130 1.00 15.99 N ATOM 800 CA HIS A 78 6.708 14.636 42.940 1.00 16.71 C ATOM 801 C HIS A 78 5.605 15.305 42.099 1.00 17.72 C ATOM 802 O HIS A 78 4.948 16.244 42.548 1.00 18.21 O ATOM 803 CB HIS A 78 7.090 15.382 44.239 1.00 25.66 C ATOM 804 CG HIS A 78 7.910 14.537 45.184 1.00 30.49 C ATOM 805 ND1 HIS A 78 9.276 14.354 45.049 1.00 33.57 N ATOM 806 CD2 HIS A 78 7.538 13.759 46.259 1.00 31.11 C ATOM 807 CE1 HIS A 78 9.657 13.507 46.009 1.00 32.40 C ATOM 808 NE2 HIS A 78 8.656 13.107 46.783 1.00 35.66 N ATOM 809 H HIS A 78 8.073 13.286 42.053 1.00 0.00 H ATOM 810 HD1 HIS A 78 9.869 14.756 44.338 1.00 0.00 H ATOM 811 N LEU A 79 5.443 14.821 40.858 1.00 15.10 N ATOM 812 CA LEU A 79 4.465 15.260 39.872 1.00 16.14 C ATOM 813 C LEU A 79 3.501 14.121 39.541 1.00 14.36 C ATOM 814 O LEU A 79 3.871 12.946 39.554 1.00 16.77 O ATOM 815 CB LEU A 79 5.189 15.628 38.556 1.00 20.57 C ATOM 816 CG LEU A 79 5.960 16.960 38.553 1.00 27.66 C ATOM 817 CD1 LEU A 79 6.743 17.084 37.241 1.00 29.20 C ATOM 818 CD2 LEU A 79 5.036 18.178 38.728 1.00 32.17 C ATOM 819 H LEU A 79 6.024 14.038 40.593 1.00 0.00 H ATOM 820 N SER A 80 2.291 14.500 39.107 1.00 12.78 N ATOM 821 CA SER A 80 1.430 13.656 38.289 1.00 13.23 C ATOM 822 C SER A 80 2.026 13.607 36.870 1.00 12.09 C ATOM 823 O SER A 80 2.484 14.631 36.361 1.00 12.94 O ATOM 824 CB SER A 80 0.023 14.287 38.242 1.00 14.70 C ATOM 825 OG SER A 80 -0.865 13.513 37.457 1.00 14.92 O ATOM 826 H SER A 80 2.075 15.486 39.123 1.00 0.00 H ATOM 827 HG SER A 80 -0.995 12.679 37.884 1.00 0.00 H ATOM 828 N CYS A 81 1.999 12.434 36.218 1.00 12.15 N ATOM 829 CA CYS A 81 2.478 12.252 34.844 1.00 11.82 C ATOM 830 C CYS A 81 1.657 13.032 33.794 1.00 11.57 C ATOM 831 O CYS A 81 2.147 13.254 32.688 1.00 13.13 O ATOM 832 CB CYS A 81 2.456 10.763 34.471 1.00 13.14 C ATOM 833 SG CYS A 81 3.590 9.641 35.338 1.00 13.20 S ATOM 834 H CYS A 81 1.633 11.622 36.699 1.00 0.00 H ATOM 835 N SER A 82 0.440 13.483 34.150 1.00 12.73 N ATOM 836 CA SER A 82 -0.409 14.369 33.352 1.00 13.54 C ATOM 837 C SER A 82 0.165 15.795 33.202 1.00 11.95 C ATOM 838 O SER A 82 -0.172 16.476 32.234 1.00 13.03 O ATOM 839 CB ASER A 82 -1.821 14.406 33.980 0.60 17.55 C ATOM 840 CB BSER A 82 -1.700 14.550 34.238 0.40 15.56 C ATOM 841 OG ASER A 82 -1.885 15.135 35.193 0.60 18.83 O ATOM 842 OG BSER A 82 -2.531 15.491 33.556 0.40 19.98 O ATOM 843 H SER A 82 0.114 13.258 35.079 1.00 0.00 H ATOM 844 HG ASER A 82 -1.442 14.646 35.872 0.60 0.00 H ATOM 845 HG BSER A 82 -3.355 15.598 34.036 0.40 0.00 H ATOM 846 N ALA A 83 1.062 16.226 34.111 1.00 12.11 N ATOM 847 CA ALA A 83 1.773 17.506 34.051 1.00 12.56 C ATOM 848 C ALA A 83 2.850 17.528 32.949 1.00 13.55 C ATOM 849 O ALA A 83 3.250 18.603 32.506 1.00 15.23 O ATOM 850 CB ALA A 83 2.463 17.757 35.402 1.00 15.16 C ATOM 851 H ALA A 83 1.303 15.606 34.873 1.00 0.00 H ATOM 852 N LEU A 84 3.288 16.346 32.488 1.00 12.54 N ATOM 853 CA LEU A 84 4.251 16.155 31.407 1.00 12.71 C ATOM 854 C LEU A 84 3.555 16.065 30.031 1.00 13.40 C ATOM 855 O LEU A 84 4.249 15.990 29.019 1.00 16.08 O ATOM 856 CB LEU A 84 5.002 14.827 31.656 1.00 14.18 C ATOM 857 CG LEU A 84 5.661 14.691 33.049 1.00 17.81 C ATOM 858 CD1 LEU A 84 6.236 13.284 33.213 1.00 20.67 C ATOM 859 CD2 LEU A 84 6.750 15.743 33.287 1.00 21.32 C ATOM 860 H LEU A 84 2.898 15.509 32.899 1.00 0.00 H ATOM 861 N LEU A 85 2.210 16.101 29.984 1.00 12.93 N ATOM 862 CA LEU A 85 1.397 16.084 28.765 1.00 13.54 C ATOM 863 C LEU A 85 0.789 17.462 28.434 1.00 13.88 C ATOM 864 O LEU A 85 -0.016 17.566 27.509 1.00 16.87 O ATOM 865 CB LEU A 85 0.287 15.016 28.896 1.00 13.39 C ATOM 866 CG LEU A 85 0.791 13.561 29.021 1.00 13.51 C ATOM 867 CD1 LEU A 85 -0.405 12.608 29.173 1.00 18.29 C ATOM 868 CD2 LEU A 85 1.675 13.137 27.832 1.00 16.82 C ATOM 869 H LEU A 85 1.711 16.168 30.860 1.00 0.00 H ATOM 870 N GLN A 86 1.206 18.525 29.143 1.00 14.21 N ATOM 871 CA GLN A 86 0.832 19.916 28.885 1.00 14.01 C ATOM 872 C GLN A 86 1.651 20.480 27.709 1.00 14.22 C ATOM 873 O GLN A 86 2.785 20.059 27.479 1.00 16.42 O ATOM 874 CB GLN A 86 1.198 20.757 30.125 1.00 15.40 C ATOM 875 CG GLN A 86 0.404 20.413 31.394 1.00 18.36 C ATOM 876 CD GLN A 86 0.753 21.381 32.525 1.00 22.98 C ATOM 877 OE1 GLN A 86 0.189 22.468 32.612 1.00 25.88 O ATOM 878 NE2 GLN A 86 1.686 20.987 33.393 1.00 27.04 N ATOM 879 H GLN A 86 1.886 18.364 29.872 1.00 0.00 H ATOM 880 HE22 GLN A 86 1.963 21.583 34.164 1.00 0.00 H ATOM 881 HE21 GLN A 86 2.161 20.106 33.255 1.00 0.00 H ATOM 882 N ASP A 87 1.098 21.483 27.004 1.00 13.89 N ATOM 883 CA ASP A 87 1.798 22.254 25.964 1.00 14.61 C ATOM 884 C ASP A 87 2.905 23.152 26.548 1.00 16.13 C ATOM 885 O ASP A 87 3.906 23.395 25.874 1.00 20.65 O ATOM 886 CB ASP A 87 0.802 23.146 25.184 1.00 15.52 C ATOM 887 CG ASP A 87 -0.276 22.398 24.389 1.00 15.85 C ATOM 888 OD1 ASP A 87 -0.116 21.176 24.171 1.00 18.46 O ATOM 889 OD2 ASP A 87 -1.226 23.085 23.959 1.00 18.72 O1- ATOM 890 H ASP A 87 0.154 21.764 27.229 1.00 0.00 H ATOM 891 N ASN A 88 2.745 23.596 27.808 1.00 15.81 N ATOM 892 CA ASN A 88 3.758 24.287 28.602 1.00 17.79 C ATOM 893 C ASN A 88 4.644 23.203 29.241 1.00 16.08 C ATOM 894 O ASN A 88 4.145 22.321 29.940 1.00 19.07 O ATOM 895 CB ASN A 88 3.029 25.087 29.710 1.00 20.11 C ATOM 896 CG ASN A 88 3.944 26.096 30.413 1.00 22.92 C ATOM 897 OD1 ASN A 88 4.850 25.711 31.148 1.00 26.75 O ATOM 898 ND2 ASN A 88 3.725 27.391 30.179 1.00 44.22 N ATOM 899 H ASN A 88 1.896 23.334 28.288 1.00 0.00 H ATOM 900 HD22 ASN A 88 4.311 28.082 30.625 1.00 0.00 H ATOM 901 HD21 ASN A 88 2.970 27.678 29.573 1.00 0.00 H ATOM 902 N ILE A 89 5.959 23.279 28.991 1.00 12.57 N ATOM 903 CA ILE A 89 6.936 22.256 29.371 1.00 12.70 C ATOM 904 C ILE A 89 7.727 22.626 30.642 1.00 11.43 C ATOM 905 O ILE A 89 8.756 22.006 30.896 1.00 12.56 O ATOM 906 CB ILE A 89 7.881 21.973 28.164 1.00 12.99 C ATOM 907 CG1 ILE A 89 8.765 23.173 27.739 1.00 14.29 C ATOM 908 CG2 ILE A 89 7.082 21.404 26.977 1.00 16.72 C ATOM 909 CD1 ILE A 89 9.889 22.781 26.769 1.00 17.23 C ATOM 910 H ILE A 89 6.294 24.041 28.421 1.00 0.00 H ATOM 911 N ALA A 90 7.271 23.599 31.454 1.00 12.52 N ATOM 912 CA ALA A 90 7.947 24.044 32.680 1.00 11.88 C ATOM 913 C ALA A 90 8.094 22.939 33.744 1.00 12.16 C ATOM 914 O ALA A 90 9.165 22.819 34.337 1.00 12.58 O ATOM 915 CB ALA A 90 7.200 25.247 33.273 1.00 16.43 C ATOM 916 H ALA A 90 6.412 24.070 31.203 1.00 0.00 H ATOM 917 N ASP A 91 7.056 22.103 33.939 1.00 12.34 N ATOM 918 CA ASP A 91 7.076 20.949 34.850 1.00 13.06 C ATOM 919 C ASP A 91 7.865 19.762 34.272 1.00 13.27 C ATOM 920 O ASP A 91 8.473 19.016 35.039 1.00 14.41 O ATOM 921 CB ASP A 91 5.634 20.471 35.152 1.00 16.70 C ATOM 922 CG ASP A 91 4.770 21.486 35.909 1.00 21.64 C ATOM 923 OD1 ASP A 91 5.345 22.272 36.694 1.00 25.67 O ATOM 924 OD2 ASP A 91 3.537 21.439 35.709 1.00 30.98 O1- ATOM 925 H ASP A 91 6.206 22.267 33.419 1.00 0.00 H ATOM 926 N ALA A 92 7.905 19.609 32.936 1.00 12.68 N ATOM 927 CA ALA A 92 8.697 18.588 32.247 1.00 12.92 C ATOM 928 C ALA A 92 10.200 18.898 32.297 1.00 11.99 C ATOM 929 O ALA A 92 10.998 17.977 32.450 1.00 13.19 O ATOM 930 CB ALA A 92 8.240 18.490 30.783 1.00 14.28 C ATOM 931 H ALA A 92 7.394 20.267 32.365 1.00 0.00 H ATOM 932 N VAL A 93 10.574 20.186 32.231 1.00 11.60 N ATOM 933 CA VAL A 93 11.938 20.682 32.400 1.00 11.58 C ATOM 934 C VAL A 93 12.384 20.589 33.872 1.00 10.95 C ATOM 935 O VAL A 93 13.528 20.217 34.114 1.00 12.78 O ATOM 936 CB VAL A 93 12.022 22.133 31.847 1.00 12.54 C ATOM 937 CG1 VAL A 93 13.265 22.909 32.317 1.00 15.10 C ATOM 938 CG2 VAL A 93 11.984 22.117 30.307 1.00 14.14 C ATOM 939 H VAL A 93 9.853 20.879 32.076 1.00 0.00 H ATOM 940 N ALA A 94 11.498 20.867 34.846 1.00 11.32 N ATOM 941 CA ALA A 94 11.787 20.765 36.280 1.00 14.03 C ATOM 942 C ALA A 94 12.049 19.317 36.731 1.00 11.77 C ATOM 943 O ALA A 94 12.895 19.090 37.597 1.00 13.70 O ATOM 944 CB ALA A 94 10.601 21.338 37.071 1.00 15.14 C ATOM 945 H ALA A 94 10.573 21.179 34.580 1.00 0.00 H ATOM 946 N CYS A 95 11.364 18.342 36.108 1.00 11.92 N ATOM 947 CA CYS A 95 11.550 16.917 36.356 1.00 11.46 C ATOM 948 C CYS A 95 12.733 16.348 35.555 1.00 10.97 C ATOM 949 O CYS A 95 13.420 15.469 36.068 1.00 12.53 O ATOM 950 CB CYS A 95 10.253 16.186 35.976 1.00 12.67 C ATOM 951 SG CYS A 95 10.190 14.397 36.288 1.00 13.56 S ATOM 952 H CYS A 95 10.676 18.610 35.418 1.00 0.00 H ATOM 953 N ALA A 96 13.031 16.871 34.351 1.00 10.42 N ATOM 954 CA ALA A 96 14.215 16.503 33.568 1.00 11.09 C ATOM 955 C ALA A 96 15.514 16.995 34.229 1.00 11.76 C ATOM 956 O ALA A 96 16.531 16.311 34.145 1.00 13.14 O ATOM 957 CB ALA A 96 14.106 17.102 32.160 1.00 13.08 C ATOM 958 H ALA A 96 12.421 17.579 33.965 1.00 0.00 H ATOM 959 N LYS A 97 15.457 18.133 34.945 1.00 11.55 N ATOM 960 CA LYS A 97 16.517 18.648 35.809 1.00 11.67 C ATOM 961 C LYS A 97 16.750 17.731 37.021 1.00 11.49 C ATOM 962 O LYS A 97 17.903 17.460 37.346 1.00 14.28 O ATOM 963 CB LYS A 97 16.151 20.063 36.294 1.00 12.72 C ATOM 964 CG LYS A 97 16.420 21.154 35.247 1.00 12.67 C ATOM 965 CD LYS A 97 16.004 22.537 35.757 1.00 13.88 C ATOM 966 CE LYS A 97 16.281 23.652 34.744 1.00 14.34 C ATOM 967 NZ LYS A 97 15.905 24.960 35.301 1.00 16.93 N1+ ATOM 968 H LYS A 97 14.589 18.652 34.930 1.00 0.00 H ATOM 969 HZ1 LYS A 97 15.991 25.662 34.576 1.00 0.00 H ATOM 970 HZ2 LYS A 97 14.945 24.931 35.612 1.00 0.00 H ATOM 971 HZ3 LYS A 97 16.508 25.192 36.077 1.00 0.00 H ATOM 972 N ARG A 98 15.675 17.216 37.651 1.00 12.01 N ATOM 973 CA ARG A 98 15.733 16.236 38.740 1.00 12.87 C ATOM 974 C ARG A 98 16.377 14.905 38.311 1.00 12.26 C ATOM 975 O ARG A 98 17.183 14.372 39.072 1.00 14.55 O ATOM 976 CB ARG A 98 14.320 16.031 39.348 1.00 13.46 C ATOM 977 CG ARG A 98 14.162 14.874 40.361 1.00 14.92 C ATOM 978 CD ARG A 98 15.009 15.024 41.634 1.00 17.52 C ATOM 979 NE ARG A 98 15.048 13.774 42.408 1.00 17.98 N ATOM 980 CZ ARG A 98 16.023 12.847 42.370 1.00 18.76 C ATOM 981 NH1 ARG A 98 17.058 12.947 41.527 1.00 21.63 N ATOM 982 NH2 ARG A 98 15.965 11.788 43.185 1.00 21.98 N1+ ATOM 983 H ARG A 98 14.759 17.480 37.316 1.00 0.00 H ATOM 984 HE ARG A 98 14.258 13.615 43.018 1.00 0.00 H ATOM 985 HH12 ARG A 98 17.803 12.248 41.525 1.00 0.00 H ATOM 986 HH11 ARG A 98 17.093 13.685 40.835 1.00 0.00 H ATOM 987 HH22 ARG A 98 16.692 11.086 43.147 1.00 0.00 H ATOM 988 HH21 ARG A 98 15.203 11.677 43.839 1.00 0.00 H ATOM 989 N VAL A 99 16.063 14.396 37.103 1.00 11.86 N ATOM 990 CA VAL A 99 16.637 13.175 36.515 1.00 12.33 C ATOM 991 C VAL A 99 18.172 13.241 36.438 1.00 12.78 C ATOM 992 O VAL A 99 18.844 12.299 36.855 1.00 14.35 O ATOM 993 CB VAL A 99 16.003 12.882 35.122 1.00 12.64 C ATOM 994 CG1 VAL A 99 16.700 11.740 34.349 1.00 14.52 C ATOM 995 CG2 VAL A 99 14.499 12.569 35.204 1.00 14.42 C ATOM 996 H VAL A 99 15.376 14.889 36.548 1.00 0.00 H ATOM 997 N VAL A 100 18.714 14.358 35.925 1.00 13.05 N ATOM 998 CA VAL A 100 20.146 14.521 35.685 1.00 12.65 C ATOM 999 C VAL A 100 20.928 14.985 36.930 1.00 14.23 C ATOM 1000 O VAL A 100 22.154 15.026 36.854 1.00 17.68 O ATOM 1001 CB VAL A 100 20.381 15.482 34.489 1.00 12.79 C ATOM 1002 CG1 VAL A 100 19.714 14.941 33.214 1.00 14.07 C ATOM 1003 CG2 VAL A 100 19.965 16.941 34.738 1.00 14.57 C ATOM 1004 H VAL A 100 18.099 15.099 35.617 1.00 0.00 H ATOM 1005 N ARG A 101 20.268 15.275 38.072 1.00 15.12 N ATOM 1006 CA ARG A 101 20.931 15.489 39.368 1.00 17.78 C ATOM 1007 C ARG A 101 21.407 14.175 40.019 1.00 20.08 C ATOM 1008 O ARG A 101 22.267 14.234 40.898 1.00 23.74 O ATOM 1009 CB ARG A 101 20.013 16.247 40.355 1.00 18.42 C ATOM 1010 CG ARG A 101 19.954 17.760 40.075 1.00 18.87 C ATOM 1011 CD ARG A 101 19.426 18.599 41.249 1.00 18.67 C ATOM 1012 NE ARG A 101 18.056 18.239 41.644 1.00 20.24 N ATOM 1013 CZ ARG A 101 16.919 18.760 41.152 1.00 16.31 C ATOM 1014 NH1 ARG A 101 16.922 19.611 40.116 1.00 19.85 N ATOM 1015 NH2 ARG A 101 15.751 18.423 41.711 1.00 21.13 N1+ ATOM 1016 H ARG A 101 19.258 15.229 38.066 1.00 0.00 H ATOM 1017 HE ARG A 101 17.988 17.562 42.390 1.00 0.00 H ATOM 1018 HH12 ARG A 101 16.057 19.992 39.761 1.00 0.00 H ATOM 1019 HH11 ARG A 101 17.794 19.864 39.668 1.00 0.00 H ATOM 1020 HH22 ARG A 101 14.886 18.810 41.362 1.00 0.00 H ATOM 1021 HH21 ARG A 101 15.727 17.812 42.515 1.00 0.00 H ATOM 1022 N ASP A 102 20.935 13.003 39.552 1.00 17.13 N ATOM 1023 CA ASP A 102 21.528 11.699 39.876 1.00 18.60 C ATOM 1024 C ASP A 102 22.850 11.508 39.095 1.00 18.33 C ATOM 1025 O ASP A 102 22.997 12.101 38.022 1.00 17.88 O ATOM 1026 CB ASP A 102 20.553 10.550 39.512 1.00 25.63 C ATOM 1027 CG ASP A 102 19.376 10.372 40.479 1.00 29.45 C ATOM 1028 OD1 ASP A 102 19.199 11.223 41.379 1.00 31.08 O ATOM 1029 OD2 ASP A 102 18.674 9.353 40.317 1.00 39.39 O1- ATOM 1030 H ASP A 102 20.228 13.021 38.831 1.00 0.00 H ATOM 1031 N PRO A 103 23.815 10.707 39.617 1.00 21.13 N ATOM 1032 CA PRO A 103 25.160 10.484 39.042 1.00 24.39 C ATOM 1033 C PRO A 103 25.247 10.156 37.542 1.00 20.09 C ATOM 1034 O PRO A 103 26.219 10.541 36.894 1.00 18.73 O ATOM 1035 CB PRO A 103 25.751 9.315 39.844 1.00 27.01 C ATOM 1036 CG PRO A 103 25.064 9.386 41.191 1.00 27.24 C ATOM 1037 CD PRO A 103 23.697 9.999 40.899 1.00 23.20 C ATOM 1038 N GLN A 104 24.237 9.453 37.003 1.00 18.34 N ATOM 1039 CA GLN A 104 24.165 8.982 35.621 1.00 21.23 C ATOM 1040 C GLN A 104 24.032 10.139 34.608 1.00 17.94 C ATOM 1041 O GLN A 104 24.525 10.031 33.485 1.00 18.00 O ATOM 1042 CB GLN A 104 22.953 8.025 35.526 1.00 24.12 C ATOM 1043 CG GLN A 104 23.131 6.914 34.473 1.00 47.13 C ATOM 1044 CD GLN A 104 21.965 5.925 34.356 1.00 47.32 C ATOM 1045 OE1 GLN A 104 22.055 4.973 33.586 1.00 60.39 O ATOM 1046 NE2 GLN A 104 20.870 6.124 35.094 1.00 62.61 N ATOM 1047 H GLN A 104 23.476 9.189 37.612 1.00 0.00 H ATOM 1048 HE22 GLN A 104 20.099 5.475 35.027 1.00 0.00 H ATOM 1049 HE21 GLN A 104 20.817 6.913 35.721 1.00 0.00 H ATOM 1050 N GLY A 105 23.401 11.255 35.013 1.00 16.59 N ATOM 1051 CA GLY A 105 23.160 12.425 34.178 1.00 17.91 C ATOM 1052 C GLY A 105 22.122 12.130 33.092 1.00 15.90 C ATOM 1053 O GLY A 105 21.124 11.454 33.348 1.00 17.09 O ATOM 1054 H GLY A 105 23.053 11.288 35.962 1.00 0.00 H ATOM 1055 N ILE A 106 22.372 12.637 31.876 1.00 15.81 N ATOM 1056 CA ILE A 106 21.536 12.441 30.687 1.00 17.11 C ATOM 1057 C ILE A 106 21.653 11.018 30.078 1.00 15.80 C ATOM 1058 O ILE A 106 20.871 10.675 29.192 1.00 16.82 O ATOM 1059 CB ILE A 106 21.877 13.558 29.659 1.00 17.55 C ATOM 1060 CG1 ILE A 106 20.840 13.639 28.514 1.00 19.14 C ATOM 1061 CG2 ILE A 106 23.323 13.478 29.123 1.00 21.03 C ATOM 1062 CD1 ILE A 106 20.763 15.007 27.827 1.00 17.90 C ATOM 1063 H ILE A 106 23.209 13.187 31.753 1.00 0.00 H ATOM 1064 N ARG A 107 22.558 10.159 30.588 1.00 16.58 N ATOM 1065 CA ARG A 107 22.641 8.734 30.234 1.00 17.13 C ATOM 1066 C ARG A 107 21.521 7.898 30.877 1.00 20.36 C ATOM 1067 O ARG A 107 21.404 6.721 30.550 1.00 21.86 O ATOM 1068 CB ARG A 107 23.999 8.151 30.677 1.00 18.94 C ATOM 1069 CG ARG A 107 25.170 8.720 29.876 1.00 23.89 C ATOM 1070 CD ARG A 107 26.543 8.362 30.455 1.00 39.98 C ATOM 1071 NE ARG A 107 27.555 9.240 29.859 1.00 47.72 N ATOM 1072 CZ ARG A 107 27.765 10.520 30.213 1.00 67.00 C ATOM 1073 NH1 ARG A 107 27.121 11.081 31.250 1.00 74.07 N ATOM 1074 NH2 ARG A 107 28.627 11.255 29.502 1.00 64.71 N1+ ATOM 1075 H ARG A 107 23.160 10.487 31.330 1.00 0.00 H ATOM 1076 HE ARG A 107 28.058 8.864 29.065 1.00 0.00 H ATOM 1077 HH12 ARG A 107 27.294 12.042 31.505 1.00 0.00 H ATOM 1078 HH11 ARG A 107 26.472 10.534 31.799 1.00 0.00 H ATOM 1079 HH22 ARG A 107 28.804 12.219 29.747 1.00 0.00 H ATOM 1080 HH21 ARG A 107 29.122 10.848 28.722 1.00 0.00 H ATOM 1081 N ALA A 108 20.663 8.490 31.731 1.00 18.54 N ATOM 1082 CA ALA A 108 19.430 7.889 32.246 1.00 21.58 C ATOM 1083 C ALA A 108 18.442 7.492 31.133 1.00 18.41 C ATOM 1084 O ALA A 108 17.742 6.489 31.268 1.00 24.26 O ATOM 1085 CB ALA A 108 18.774 8.874 33.224 1.00 25.52 C ATOM 1086 H ALA A 108 20.826 9.460 31.963 1.00 0.00 H ATOM 1087 N TRP A 109 18.443 8.241 30.018 1.00 16.15 N ATOM 1088 CA TRP A 109 17.742 7.919 28.782 1.00 16.79 C ATOM 1089 C TRP A 109 18.711 7.185 27.844 1.00 15.57 C ATOM 1090 O TRP A 109 19.774 7.711 27.505 1.00 17.44 O ATOM 1091 CB TRP A 109 17.324 9.241 28.121 1.00 14.21 C ATOM 1092 CG TRP A 109 16.288 10.024 28.873 1.00 14.22 C ATOM 1093 CD1 TRP A 109 14.957 9.788 28.845 1.00 17.01 C ATOM 1094 CD2 TRP A 109 16.466 11.191 29.734 1.00 13.07 C ATOM 1095 NE1 TRP A 109 14.305 10.722 29.621 1.00 16.16 N ATOM 1096 CE2 TRP A 109 15.180 11.631 30.175 1.00 14.95 C ATOM 1097 CE3 TRP A 109 17.582 11.940 30.171 1.00 14.74 C ATOM 1098 CZ2 TRP A 109 15.009 12.767 30.986 1.00 16.94 C ATOM 1099 CZ3 TRP A 109 17.424 13.084 30.979 1.00 14.74 C ATOM 1100 CH2 TRP A 109 16.142 13.501 31.384 1.00 16.52 C ATOM 1101 H TRP A 109 19.060 9.039 29.990 1.00 0.00 H ATOM 1102 HE1 TRP A 109 13.297 10.746 29.691 1.00 0.00 H ATOM 1103 N VAL A 110 18.331 5.967 27.419 1.00 18.17 N ATOM 1104 CA VAL A 110 19.121 5.111 26.527 1.00 20.77 C ATOM 1105 C VAL A 110 19.144 5.636 25.079 1.00 18.43 C ATOM 1106 O VAL A 110 20.101 5.358 24.361 1.00 20.67 O ATOM 1107 CB VAL A 110 18.586 3.652 26.554 1.00 28.20 C ATOM 1108 CG1 VAL A 110 18.656 3.050 27.967 1.00 32.48 C ATOM 1109 CG2 VAL A 110 17.175 3.468 25.956 1.00 32.96 C ATOM 1110 H VAL A 110 17.447 5.601 27.743 1.00 0.00 H ATOM 1111 N ALA A 111 18.130 6.421 24.663 1.00 18.39 N ATOM 1112 CA ALA A 111 18.041 7.027 23.335 1.00 20.08 C ATOM 1113 C ALA A 111 19.120 8.097 23.120 1.00 17.47 C ATOM 1114 O ALA A 111 19.592 8.244 21.997 1.00 19.35 O ATOM 1115 CB ALA A 111 16.661 7.673 23.153 1.00 21.74 C ATOM 1116 H ALA A 111 17.379 6.617 25.310 1.00 0.00 H ATOM 1117 N TRP A 112 19.559 8.785 24.191 1.00 16.39 N ATOM 1118 CA TRP A 112 20.690 9.708 24.155 1.00 14.27 C ATOM 1119 C TRP A 112 22.023 8.959 23.971 1.00 14.94 C ATOM 1120 O TRP A 112 22.895 9.463 23.268 1.00 14.58 O ATOM 1121 CB TRP A 112 20.733 10.550 25.446 1.00 14.56 C ATOM 1122 CG TRP A 112 21.811 11.595 25.463 1.00 15.83 C ATOM 1123 CD1 TRP A 112 21.694 12.854 24.983 1.00 15.71 C ATOM 1124 CD2 TRP A 112 23.191 11.468 25.925 1.00 15.54 C ATOM 1125 NE1 TRP A 112 22.912 13.494 25.070 1.00 15.81 N ATOM 1126 CE2 TRP A 112 23.877 12.685 25.632 1.00 16.34 C ATOM 1127 CE3 TRP A 112 23.942 10.441 26.546 1.00 16.24 C ATOM 1128 CZ2 TRP A 112 25.241 12.868 25.919 1.00 19.60 C ATOM 1129 CZ3 TRP A 112 25.307 10.619 26.850 1.00 19.22 C ATOM 1130 CH2 TRP A 112 25.958 11.827 26.534 1.00 21.44 C ATOM 1131 H TRP A 112 19.131 8.605 25.089 1.00 0.00 H ATOM 1132 HE1 TRP A 112 23.067 14.432 24.725 1.00 0.00 H ATOM 1133 N ARG A 113 22.182 7.752 24.542 1.00 15.14 N ATOM 1134 CA ARG A 113 23.387 6.935 24.363 1.00 16.43 C ATOM 1135 C ARG A 113 23.515 6.426 22.916 1.00 17.09 C ATOM 1136 O ARG A 113 24.624 6.357 22.390 1.00 18.84 O ATOM 1137 CB ARG A 113 23.364 5.703 25.286 1.00 19.05 C ATOM 1138 CG ARG A 113 23.190 5.990 26.783 1.00 21.06 C ATOM 1139 CD ARG A 113 23.337 4.692 27.592 1.00 31.33 C ATOM 1140 NE ARG A 113 22.597 4.736 28.857 1.00 32.96 N ATOM 1141 CZ ARG A 113 22.248 3.670 29.597 1.00 39.44 C ATOM 1142 NH1 ARG A 113 22.564 2.422 29.227 1.00 48.10 N ATOM 1143 NH2 ARG A 113 21.568 3.859 30.733 1.00 49.31 N1+ ATOM 1144 H ARG A 113 21.424 7.367 25.088 1.00 0.00 H ATOM 1145 HE ARG A 113 22.334 5.651 29.202 1.00 0.00 H ATOM 1146 HH12 ARG A 113 22.295 1.633 29.796 1.00 0.00 H ATOM 1147 HH11 ARG A 113 23.079 2.263 28.373 1.00 0.00 H ATOM 1148 HH22 ARG A 113 21.305 3.083 31.322 1.00 0.00 H ATOM 1149 HH21 ARG A 113 21.339 4.802 31.028 1.00 0.00 H ATOM 1150 N ASN A 114 22.375 6.092 22.287 1.00 15.91 N ATOM 1151 CA ASN A 114 22.293 5.523 20.945 1.00 17.99 C ATOM 1152 C ASN A 114 22.429 6.604 19.858 1.00 15.89 C ATOM 1153 O ASN A 114 23.071 6.343 18.842 1.00 20.21 O ATOM 1154 CB ASN A 114 20.912 4.841 20.749 1.00 22.77 C ATOM 1155 CG ASN A 114 20.625 3.655 21.680 1.00 26.98 C ATOM 1156 OD1 ASN A 114 21.519 3.112 22.326 1.00 28.93 O ATOM 1157 ND2 ASN A 114 19.353 3.262 21.771 1.00 33.78 N ATOM 1158 H ASN A 114 21.511 6.175 22.806 1.00 0.00 H ATOM 1159 HD22 ASN A 114 19.115 2.494 22.382 1.00 0.00 H ATOM 1160 HD21 ASN A 114 18.634 3.729 21.238 1.00 0.00 H ATOM 1161 N ARG A 115 21.813 7.785 20.049 1.00 16.64 N ATOM 1162 CA ARG A 115 21.603 8.791 19.003 1.00 17.38 C ATOM 1163 C ARG A 115 22.409 10.087 19.184 1.00 17.46 C ATOM 1164 O ARG A 115 22.424 10.886 18.248 1.00 20.36 O ATOM 1165 CB ARG A 115 20.110 9.192 18.986 1.00 18.38 C ATOM 1166 CG ARG A 115 19.120 8.051 18.697 1.00 24.94 C ATOM 1167 CD ARG A 115 19.132 7.625 17.226 1.00 30.28 C ATOM 1168 NE ARG A 115 18.091 6.628 16.952 1.00 32.22 N ATOM 1169 CZ ARG A 115 17.659 6.271 15.731 1.00 32.89 C ATOM 1170 NH1 ARG A 115 18.152 6.843 14.623 1.00 35.05 N ATOM 1171 NH2 ARG A 115 16.721 5.323 15.618 1.00 36.35 N1+ ATOM 1172 H ARG A 115 21.313 7.924 20.918 1.00 0.00 H ATOM 1173 HE ARG A 115 17.701 6.160 17.758 1.00 0.00 H ATOM 1174 HH12 ARG A 115 17.823 6.568 13.709 1.00 0.00 H ATOM 1175 HH11 ARG A 115 18.850 7.569 14.700 1.00 0.00 H ATOM 1176 HH22 ARG A 115 16.385 5.040 14.709 1.00 0.00 H ATOM 1177 HH21 ARG A 115 16.336 4.883 16.442 1.00 0.00 H ATOM 1178 N CYS A 116 23.024 10.337 20.354 1.00 15.08 N ATOM 1179 CA CYS A 116 23.573 11.652 20.722 1.00 14.67 C ATOM 1180 C CYS A 116 24.998 11.587 21.279 1.00 16.40 C ATOM 1181 O CYS A 116 25.790 12.490 21.006 1.00 18.54 O ATOM 1182 CB CYS A 116 22.628 12.374 21.703 1.00 14.17 C ATOM 1183 SG CYS A 116 20.892 12.480 21.200 1.00 14.27 S ATOM 1184 H CYS A 116 22.967 9.641 21.085 1.00 0.00 H ATOM 1185 N GLN A 117 25.326 10.542 22.057 1.00 16.23 N ATOM 1186 CA GLN A 117 26.612 10.385 22.734 1.00 18.20 C ATOM 1187 C GLN A 117 27.710 10.055 21.716 1.00 20.42 C ATOM 1188 O GLN A 117 27.559 9.131 20.916 1.00 20.59 O ATOM 1189 CB GLN A 117 26.510 9.242 23.764 1.00 19.87 C ATOM 1190 CG GLN A 117 27.732 9.178 24.710 1.00 23.21 C ATOM 1191 CD GLN A 117 27.716 8.047 25.744 1.00 24.24 C ATOM 1192 OE1 GLN A 117 28.505 8.075 26.685 1.00 33.47 O ATOM 1193 NE2 GLN A 117 26.826 7.062 25.606 1.00 37.16 N ATOM 1194 H GLN A 117 24.616 9.850 22.253 1.00 0.00 H ATOM 1195 HE22 GLN A 117 26.810 6.307 26.275 1.00 0.00 H ATOM 1196 HE21 GLN A 117 26.204 7.054 24.810 1.00 0.00 H ATOM 1197 N ASN A 118 28.799 10.838 21.754 1.00 23.71 N ATOM 1198 CA ASN A 118 29.998 10.717 20.915 1.00 28.55 C ATOM 1199 C ASN A 118 29.756 11.143 19.452 1.00 27.64 C ATOM 1200 O ASN A 118 30.561 10.822 18.579 1.00 33.21 O ATOM 1201 CB ASN A 118 30.707 9.341 21.049 1.00 34.02 C ATOM 1202 CG ASN A 118 31.107 8.988 22.486 1.00 36.99 C ATOM 1203 OD1 ASN A 118 31.716 9.796 23.184 1.00 41.09 O ATOM 1204 ND2 ASN A 118 30.734 7.793 22.948 1.00 45.69 N ATOM 1205 H ASN A 118 28.812 11.580 22.439 1.00 0.00 H ATOM 1206 HD22 ASN A 118 30.972 7.528 23.893 1.00 0.00 H ATOM 1207 HD21 ASN A 118 30.223 7.157 22.353 1.00 0.00 H ATOM 1208 N ARG A 119 28.647 11.854 19.190 1.00 26.95 N ATOM 1209 CA ARG A 119 28.271 12.405 17.892 1.00 29.41 C ATOM 1210 C ARG A 119 28.339 13.934 17.931 1.00 27.46 C ATOM 1211 O ARG A 119 28.268 14.551 18.996 1.00 28.03 O ATOM 1212 CB ARG A 119 26.818 12.009 17.561 1.00 27.29 C ATOM 1213 CG ARG A 119 26.577 10.495 17.472 1.00 29.07 C ATOM 1214 CD ARG A 119 25.330 10.191 16.636 1.00 33.27 C ATOM 1215 NE ARG A 119 24.863 8.809 16.821 1.00 34.40 N ATOM 1216 CZ ARG A 119 24.467 7.968 15.849 1.00 33.71 C ATOM 1217 NH1 ARG A 119 24.506 8.314 14.555 1.00 39.46 N ATOM 1218 NH2 ARG A 119 24.017 6.752 16.178 1.00 32.31 N1+ ATOM 1219 H ARG A 119 28.038 12.076 19.965 1.00 0.00 H ATOM 1220 HE ARG A 119 24.797 8.495 17.780 1.00 0.00 H ATOM 1221 HH12 ARG A 119 24.210 7.669 13.837 1.00 0.00 H ATOM 1222 HH11 ARG A 119 24.842 9.228 14.289 1.00 0.00 H ATOM 1223 HH22 ARG A 119 23.735 6.096 15.465 1.00 0.00 H ATOM 1224 HH21 ARG A 119 23.924 6.489 17.154 1.00 0.00 H ATOM 1225 N ASP A 120 28.402 14.536 16.734 1.00 30.41 N ATOM 1226 CA ASP A 120 28.219 15.965 16.510 1.00 27.35 C ATOM 1227 C ASP A 120 26.710 16.272 16.595 1.00 25.50 C ATOM 1228 O ASP A 120 25.926 15.774 15.786 1.00 30.21 O ATOM 1229 CB ASP A 120 28.797 16.303 15.111 1.00 31.42 C ATOM 1230 CG ASP A 120 28.834 17.795 14.754 1.00 38.14 C ATOM 1231 OD1 ASP A 120 28.430 18.619 15.602 1.00 41.12 O ATOM 1232 OD2 ASP A 120 29.307 18.095 13.636 1.00 34.42 O1- ATOM 1233 H ASP A 120 28.453 13.954 15.911 1.00 0.00 H ATOM 1234 N VAL A 121 26.323 17.076 17.598 1.00 22.52 N ATOM 1235 CA VAL A 121 24.941 17.432 17.934 1.00 21.13 C ATOM 1236 C VAL A 121 24.664 18.939 17.755 1.00 22.32 C ATOM 1237 O VAL A 121 23.569 19.394 18.080 1.00 18.74 O ATOM 1238 CB VAL A 121 24.573 16.913 19.356 1.00 22.58 C ATOM 1239 CG1 VAL A 121 24.535 15.376 19.425 1.00 30.69 C ATOM 1240 CG2 VAL A 121 25.471 17.477 20.473 1.00 25.84 C ATOM 1241 H VAL A 121 27.043 17.430 18.212 1.00 0.00 H ATOM 1242 N ARG A 122 25.614 19.717 17.201 1.00 27.46 N ATOM 1243 CA ARG A 122 25.458 21.136 16.841 1.00 27.65 C ATOM 1244 C ARG A 122 24.280 21.427 15.891 1.00 24.97 C ATOM 1245 O ARG A 122 23.700 22.511 15.967 1.00 25.46 O ATOM 1246 CB AARG A 122 26.810 21.673 16.306 0.50 29.85 C ATOM 1247 CB BARG A 122 26.848 21.527 16.242 0.50 28.87 C ATOM 1248 CG AARG A 122 26.773 22.775 15.217 0.50 34.26 C ATOM 1249 CG BARG A 122 28.061 21.210 17.122 0.50 37.32 C ATOM 1250 CD AARG A 122 28.152 23.363 14.887 0.50 33.83 C ATOM 1251 CD BARG A 122 27.907 22.022 18.426 0.50 40.48 C ATOM 1252 NE AARG A 122 29.113 22.304 14.546 0.50 37.37 N ATOM 1253 NE BARG A 122 26.936 23.095 18.208 0.50 40.95 N ATOM 1254 CZ AARG A 122 29.992 21.741 15.393 0.50 37.41 C ATOM 1255 CZ BARG A 122 26.457 23.895 19.152 0.50 41.42 C ATOM 1256 NH1AARG A 122 30.125 22.162 16.660 0.50 44.26 N ATOM 1257 NH1BARG A 122 26.123 23.403 20.334 0.50 44.41 N ATOM 1258 NH2AARG A 122 30.746 20.721 14.968 0.50 43.88 N1+ ATOM 1259 NH2BARG A 122 26.311 25.194 18.898 0.50 53.39 N1+ ATOM 1260 H ARG A 122 26.486 19.276 16.937 1.00 0.00 H ATOM 1261 HE AARG A 122 29.042 21.926 13.612 0.50 0.00 H ATOM 1262 HE BARG A 122 26.631 23.204 17.251 0.50 0.00 H ATOM 1263 HH12AARG A 122 30.783 21.718 17.284 0.50 0.00 H ATOM 1264 HH12BARG A 122 25.759 24.014 21.051 0.50 0.00 H ATOM 1265 HH11AARG A 122 29.561 22.929 16.995 0.50 0.00 H ATOM 1266 HH11BARG A 122 26.232 22.416 20.519 0.50 0.00 H ATOM 1267 HH22AARG A 122 31.398 20.270 15.592 0.50 0.00 H ATOM 1268 HH22BARG A 122 25.947 25.810 19.611 0.50 0.00 H ATOM 1269 HH21AARG A 122 30.581 20.308 14.060 0.50 0.00 H ATOM 1270 HH21BARG A 122 26.564 25.563 17.993 0.50 0.00 H ATOM 1271 N GLN A 123 23.930 20.464 15.020 1.00 26.01 N ATOM 1272 CA GLN A 123 22.850 20.541 14.035 1.00 28.19 C ATOM 1273 C GLN A 123 21.465 20.898 14.610 1.00 24.96 C ATOM 1274 O GLN A 123 20.659 21.514 13.914 1.00 26.43 O ATOM 1275 CB GLN A 123 22.787 19.239 13.210 1.00 33.36 C ATOM 1276 CG GLN A 123 22.477 17.957 14.021 1.00 45.52 C ATOM 1277 CD GLN A 123 22.225 16.701 13.178 1.00 48.33 C ATOM 1278 OE1 GLN A 123 22.329 15.594 13.698 1.00 50.12 O ATOM 1279 NE2 GLN A 123 21.914 16.838 11.886 1.00 61.45 N ATOM 1280 H GLN A 123 24.468 19.610 15.037 1.00 0.00 H ATOM 1281 HE22 GLN A 123 21.761 16.015 11.323 1.00 0.00 H ATOM 1282 HE21 GLN A 123 21.846 17.757 11.475 1.00 0.00 H ATOM 1283 N TYR A 124 21.194 20.524 15.872 1.00 21.23 N ATOM 1284 CA TYR A 124 19.892 20.681 16.515 1.00 20.57 C ATOM 1285 C TYR A 124 19.659 22.098 17.081 1.00 17.27 C ATOM 1286 O TYR A 124 18.516 22.418 17.406 1.00 19.70 O ATOM 1287 CB TYR A 124 19.781 19.656 17.663 1.00 20.32 C ATOM 1288 CG TYR A 124 19.869 18.204 17.224 1.00 17.15 C ATOM 1289 CD1 TYR A 124 18.837 17.628 16.454 1.00 23.75 C ATOM 1290 CD2 TYR A 124 20.993 17.427 17.566 1.00 19.77 C ATOM 1291 CE1 TYR A 124 18.945 16.295 16.009 1.00 24.75 C ATOM 1292 CE2 TYR A 124 21.118 16.108 17.096 1.00 21.05 C ATOM 1293 CZ TYR A 124 20.093 15.539 16.320 1.00 20.92 C ATOM 1294 OH TYR A 124 20.219 14.258 15.867 1.00 25.52 O ATOM 1295 H TYR A 124 21.912 20.039 16.392 1.00 0.00 H ATOM 1296 HH TYR A 124 21.088 13.912 16.007 1.00 0.00 H ATOM 1297 N VAL A 125 20.696 22.955 17.146 1.00 19.87 N ATOM 1298 CA VAL A 125 20.644 24.327 17.673 1.00 19.04 C ATOM 1299 C VAL A 125 21.133 25.394 16.677 1.00 21.10 C ATOM 1300 O VAL A 125 21.022 26.581 16.988 1.00 21.37 O ATOM 1301 CB VAL A 125 21.380 24.430 19.037 1.00 21.60 C ATOM 1302 CG1 VAL A 125 20.613 23.726 20.164 1.00 23.75 C ATOM 1303 CG2 VAL A 125 22.845 23.956 18.978 1.00 24.99 C ATOM 1304 H VAL A 125 21.601 22.620 16.845 1.00 0.00 H ATOM 1305 N GLN A 126 21.660 25.012 15.498 1.00 23.38 N ATOM 1306 CA GLN A 126 22.195 25.952 14.508 1.00 29.06 C ATOM 1307 C GLN A 126 21.098 26.850 13.904 1.00 27.13 C ATOM 1308 O GLN A 126 20.026 26.378 13.525 1.00 27.14 O ATOM 1309 CB AGLN A 126 22.989 25.197 13.418 0.50 31.28 C ATOM 1310 CB BGLN A 126 23.035 25.188 13.469 0.50 31.69 C ATOM 1311 CG AGLN A 126 22.199 24.232 12.495 0.50 33.72 C ATOM 1312 CG BGLN A 126 23.789 23.971 13.941 0.50 37.39 C ATOM 1313 CD AGLN A 126 22.525 24.355 11.003 0.50 47.22 C ATOM 1314 CD BGLN A 126 25.043 24.263 14.723 0.50 38.76 C ATOM 1315 OE1AGLN A 126 22.738 23.344 10.337 0.50 45.69 O ATOM 1316 OE1BGLN A 126 25.125 25.190 15.519 0.50 38.51 O ATOM 1317 NE2AGLN A 126 22.581 25.576 10.465 0.50 49.55 N ATOM 1318 NE2BGLN A 126 26.059 23.415 14.517 0.50 43.64 N ATOM 1319 H GLN A 126 21.737 24.025 15.296 1.00 0.00 H ATOM 1320 HE22AGLN A 126 22.801 25.675 9.485 0.50 0.00 H ATOM 1321 HE22BGLN A 126 26.933 23.546 15.006 0.50 0.00 H ATOM 1322 HE21AGLN A 126 22.400 26.390 11.033 0.50 0.00 H ATOM 1323 HE21BGLN A 126 25.951 22.645 13.873 0.50 0.00 H ATOM 1324 N GLY A 127 21.379 28.161 13.847 1.00 25.06 N ATOM 1325 CA GLY A 127 20.493 29.193 13.313 1.00 25.33 C ATOM 1326 C GLY A 127 19.320 29.600 14.219 1.00 23.89 C ATOM 1327 O GLY A 127 18.467 30.362 13.767 1.00 25.63 O ATOM 1328 H GLY A 127 22.276 28.468 14.194 1.00 0.00 H ATOM 1329 N CYS A 128 19.252 29.102 15.467 1.00 20.90 N ATOM 1330 CA CYS A 128 18.122 29.323 16.376 1.00 20.37 C ATOM 1331 C CYS A 128 18.290 30.542 17.302 1.00 21.95 C ATOM 1332 O CYS A 128 17.338 30.892 18.002 1.00 24.45 O ATOM 1333 CB CYS A 128 17.940 28.070 17.253 1.00 18.95 C ATOM 1334 SG CYS A 128 17.562 26.536 16.360 1.00 17.57 S ATOM 1335 H CYS A 128 19.979 28.471 15.774 1.00 0.00 H ATOM 1336 N GLY A 129 19.461 31.203 17.294 1.00 27.29 N ATOM 1337 CA GLY A 129 19.742 32.406 18.080 1.00 29.29 C ATOM 1338 C GLY A 129 20.015 32.139 19.567 1.00 28.62 C ATOM 1339 O GLY A 129 19.757 33.010 20.397 1.00 38.50 O ATOM 1340 H GLY A 129 20.192 30.868 16.683 1.00 0.00 H ATOM 1341 N VAL A 130 20.501 30.932 19.893 1.00 24.90 N ATOM 1342 CA VAL A 130 20.800 30.448 21.242 1.00 25.27 C ATOM 1343 C VAL A 130 22.317 30.271 21.438 1.00 33.46 C ATOM 1344 O VAL A 130 22.702 30.029 22.602 1.00 31.44 O ATOM 1345 CB VAL A 130 20.039 29.117 21.484 1.00 25.35 C ATOM 1346 CG1 VAL A 130 18.516 29.329 21.470 1.00 27.59 C ATOM 1347 CG2 VAL A 130 20.444 27.982 20.520 1.00 26.59 C ATOM 1348 OXT VAL A 130 23.068 30.369 20.442 1.00 47.97 O1- ATOM 1349 H VAL A 130 20.713 30.295 19.140 1.00 0.00 H CONECT 68 1334 CONECT 322 1183 CONECT 700 833 CONECT 797 951 CONECT 833 700 CONECT 951 797 CONECT 1183 322 CONECT 1334 68 ENDMDL END If you find results from this site helpful for your research, please cite one of our papers:
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