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*** A42G ***elNémo ID: 2503190653443506559Job options:ID = 2503190653443506559 JOBID = A42G 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 A42G 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 21.182 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 4.494 25.086 21.230 1.00 26.10 C ATOM 9 NZ LYS A 1 4.811 26.280 22.028 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 21.446 1.00 0.00 H ATOM 14 HZ2 LYS A 1 3.961 26.752 22.296 1.00 0.00 H ATOM 15 HZ3 LYS A 1 5.337 26.015 22.848 1.00 0.00 H ATOM 16 N VAL A 2 3.340 20.013 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 5.299 21.038 18.365 1.00 14.54 C ATOM 19 O VAL A 2 4.791 21.909 17.656 1.00 17.31 O ATOM 20 CB VAL A 2 4.304 19.010 17.204 1.00 18.09 C ATOM 21 CG1 VAL A 2 5.602 18.673 16.441 1.00 20.30 C ATOM 22 CG2 VAL A 2 3.471 17.727 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 6.472 21.198 18.994 1.00 13.22 N ATOM 25 CA PHE A 3 7.314 22.381 18.852 1.00 12.29 C ATOM 26 C PHE A 3 8.094 22.308 17.534 1.00 13.94 C ATOM 27 O PHE A 3 8.518 21.235 17.101 1.00 16.04 O ATOM 28 CB PHE A 3 8.367 22.420 19.979 1.00 13.14 C ATOM 29 CG PHE A 3 7.908 22.939 21.325 1.00 12.43 C ATOM 30 CD1 PHE A 3 7.159 22.119 22.193 1.00 14.74 C ATOM 31 CD2 PHE A 3 8.281 24.236 21.734 1.00 14.77 C ATOM 32 CE1 PHE A 3 6.787 22.601 23.462 1.00 16.85 C ATOM 33 CE2 PHE A 3 7.912 24.713 23.005 1.00 16.48 C ATOM 34 CZ PHE A 3 7.164 23.894 23.872 1.00 16.12 C ATOM 35 H PHE A 3 6.828 20.436 19.555 1.00 0.00 H ATOM 36 N GLU A 4 8.360 23.489 16.962 1.00 14.86 N ATOM 37 CA GLU A 4 9.379 23.695 15.938 1.00 16.55 C ATOM 38 C GLU A 4 10.755 23.701 16.633 1.00 14.12 C ATOM 39 O GLU A 4 10.857 24.060 17.808 1.00 14.27 O ATOM 40 CB GLU A 4 9.119 25.054 15.259 1.00 21.19 C ATOM 41 CG GLU A 4 7.792 25.069 14.472 1.00 34.01 C ATOM 42 CD GLU A 4 7.491 26.436 13.860 1.00 39.62 C ATOM 43 OE1 GLU A 4 8.289 26.863 12.997 1.00 49.70 O ATOM 44 OE2 GLU A 4 6.464 27.027 14.260 1.00 48.74 O1- ATOM 45 H GLU A 4 7.959 24.320 17.381 1.00 0.00 H ATOM 46 N ARG A 5 11.805 23.261 15.920 1.00 13.42 N ATOM 47 CA ARG A 5 13.168 23.055 16.425 1.00 13.70 C ATOM 48 C ARG A 5 13.740 24.247 17.214 1.00 11.54 C ATOM 49 O ARG A 5 14.132 24.095 18.369 1.00 12.11 O ATOM 50 CB ARG A 5 14.075 22.622 15.254 1.00 14.12 C ATOM 51 CG ARG A 5 15.551 22.374 15.624 1.00 16.72 C ATOM 52 CD ARG A 5 16.395 21.917 14.427 1.00 19.34 C ATOM 53 NE ARG A 5 16.574 23.003 13.450 1.00 20.28 N ATOM 54 CZ ARG A 5 17.556 23.921 13.455 1.00 21.61 C ATOM 55 NH1 ARG A 5 18.502 23.934 14.402 1.00 24.48 N ATOM 56 NH2 ARG A 5 17.592 24.854 12.497 1.00 23.88 N1+ ATOM 57 H ARG A 5 11.630 22.979 14.966 1.00 0.00 H ATOM 58 HE ARG A 5 15.874 23.058 12.725 1.00 0.00 H ATOM 59 HH12 ARG A 5 19.217 24.650 14.390 1.00 0.00 H ATOM 60 HH11 ARG A 5 18.485 23.256 15.150 1.00 0.00 H ATOM 61 HH22 ARG A 5 18.319 25.558 12.513 1.00 0.00 H ATOM 62 HH21 ARG A 5 16.895 24.878 11.767 1.00 0.00 H ATOM 63 N CYS A 6 13.753 25.439 16.601 1.00 12.58 N ATOM 64 CA CYS A 6 14.327 26.640 17.201 1.00 12.42 C ATOM 65 C CYS A 6 13.386 27.351 18.183 1.00 11.86 C ATOM 66 O CYS A 6 13.868 28.123 19.012 1.00 13.27 O ATOM 67 CB CYS A 6 14.717 27.610 16.079 1.00 13.64 C ATOM 68 SG CYS A 6 16.088 27.036 15.038 1.00 16.20 S ATOM 69 H CYS A 6 13.399 25.504 15.658 1.00 0.00 H ATOM 70 N GLU A 7 12.075 27.050 18.150 1.00 12.12 N ATOM 71 CA GLU A 7 11.112 27.460 19.171 1.00 12.07 C ATOM 72 C GLU A 7 11.403 26.730 20.493 1.00 11.12 C ATOM 73 O GLU A 7 11.436 27.376 21.538 1.00 12.80 O ATOM 74 CB GLU A 7 9.679 27.159 18.679 1.00 16.60 C ATOM 75 CG GLU A 7 8.554 27.546 19.669 1.00 18.77 C ATOM 76 CD GLU A 7 7.190 26.934 19.342 1.00 21.58 C ATOM 77 OE1 GLU A 7 7.144 25.919 18.612 1.00 21.23 O ATOM 78 OE2 GLU A 7 6.203 27.481 19.881 1.00 26.51 O1- ATOM 79 H GLU A 7 11.754 26.388 17.457 1.00 0.00 H ATOM 80 N LEU A 8 11.664 25.408 20.434 1.00 11.84 N ATOM 81 CA LEU A 8 12.026 24.583 21.585 1.00 10.90 C ATOM 82 C LEU A 8 13.404 24.961 22.143 1.00 10.67 C ATOM 83 O LEU A 8 13.550 25.008 23.359 1.00 11.45 O ATOM 84 CB LEU A 8 12.012 23.087 21.198 1.00 11.53 C ATOM 85 CG LEU A 8 12.270 22.098 22.362 1.00 11.62 C ATOM 86 CD1 LEU A 8 11.233 22.219 23.490 1.00 14.29 C ATOM 87 CD2 LEU A 8 12.328 20.658 21.847 1.00 16.83 C ATOM 88 H LEU A 8 11.611 24.950 19.534 1.00 0.00 H ATOM 89 N ALA A 9 14.391 25.266 21.281 1.00 10.92 N ATOM 90 CA ALA A 9 15.745 25.659 21.679 1.00 11.36 C ATOM 91 C ALA A 9 15.757 26.951 22.514 1.00 12.02 C ATOM 92 O ALA A 9 16.427 27.001 23.544 1.00 11.55 O ATOM 93 CB ALA A 9 16.621 25.818 20.428 1.00 13.31 C ATOM 94 H ALA A 9 14.201 25.188 20.291 1.00 0.00 H ATOM 95 N ARG A 10 14.966 27.964 22.114 1.00 11.89 N ATOM 96 CA ARG A 10 14.803 29.215 22.857 1.00 12.26 C ATOM 97 C ARG A 10 13.942 29.039 24.118 1.00 11.30 C ATOM 98 O ARG A 10 14.208 29.717 25.108 1.00 13.37 O ATOM 99 CB ARG A 10 14.125 30.271 21.965 1.00 15.41 C ATOM 100 CG ARG A 10 15.034 30.801 20.844 1.00 17.40 C ATOM 101 CD ARG A 10 14.404 31.969 20.075 1.00 21.37 C ATOM 102 NE ARG A 10 13.190 31.548 19.359 1.00 20.21 N ATOM 103 CZ ARG A 10 13.123 31.149 18.078 1.00 19.83 C ATOM 104 NH1 ARG A 10 14.218 31.081 17.308 1.00 20.32 N ATOM 105 NH2 ARG A 10 11.935 30.809 17.562 1.00 23.03 N1+ ATOM 106 H ARG A 10 14.435 27.852 21.262 1.00 0.00 H ATOM 107 HE ARG A 10 12.338 31.554 19.901 1.00 0.00 H ATOM 108 HH12 ARG A 10 14.151 30.809 16.338 1.00 0.00 H ATOM 109 HH11 ARG A 10 15.125 31.305 17.696 1.00 0.00 H ATOM 110 HH22 ARG A 10 11.860 30.512 16.599 1.00 0.00 H ATOM 111 HH21 ARG A 10 11.098 30.860 18.124 1.00 0.00 H ATOM 112 N THR A 11 12.947 28.130 24.109 1.00 11.61 N ATOM 113 CA THR A 11 12.104 27.829 25.271 1.00 11.60 C ATOM 114 C THR A 11 12.940 27.140 26.362 1.00 11.46 C ATOM 115 O THR A 11 12.872 27.571 27.510 1.00 12.79 O ATOM 116 CB THR A 11 10.893 26.947 24.866 1.00 13.51 C ATOM 117 OG1 THR A 11 10.065 27.683 23.988 1.00 15.51 O ATOM 118 CG2 THR A 11 9.986 26.539 26.043 1.00 15.20 C ATOM 119 H THR A 11 12.786 27.599 23.264 1.00 0.00 H ATOM 120 HG1 THR A 11 10.517 27.770 23.159 1.00 0.00 H ATOM 121 N LEU A 12 13.756 26.135 25.989 1.00 10.78 N ATOM 122 CA LEU A 12 14.689 25.414 26.857 1.00 11.18 C ATOM 123 C LEU A 12 15.810 26.314 27.416 1.00 11.18 C ATOM 124 O LEU A 12 16.230 26.105 28.554 1.00 12.56 O ATOM 125 CB LEU A 12 15.298 24.210 26.108 1.00 12.02 C ATOM 126 CG LEU A 12 14.342 23.027 25.828 1.00 12.75 C ATOM 127 CD1 LEU A 12 15.067 21.958 24.995 1.00 17.07 C ATOM 128 CD2 LEU A 12 13.747 22.392 27.093 1.00 16.49 C ATOM 129 H LEU A 12 13.742 25.852 25.017 1.00 0.00 H ATOM 130 N LYS A 13 16.257 27.338 26.667 1.00 11.39 N ATOM 131 CA LYS A 13 17.253 28.303 27.134 1.00 11.97 C ATOM 132 C LYS A 13 16.675 29.283 28.177 1.00 12.47 C ATOM 133 O LYS A 13 17.375 29.594 29.141 1.00 13.70 O ATOM 134 CB LYS A 13 17.839 29.074 25.930 1.00 16.60 C ATOM 135 CG LYS A 13 18.973 30.045 26.325 1.00 22.62 C ATOM 136 CD LYS A 13 20.175 30.034 25.372 1.00 30.87 C ATOM 137 CE LYS A 13 21.295 30.970 25.854 1.00 37.86 C ATOM 138 NZ LYS A 13 22.603 30.577 25.306 1.00 58.06 N1+ ATOM 139 H LYS A 13 15.885 27.457 25.734 1.00 0.00 H ATOM 140 HZ1 LYS A 13 22.564 30.513 24.292 1.00 0.00 H ATOM 141 HZ2 LYS A 13 23.309 31.246 25.574 1.00 0.00 H ATOM 142 HZ3 LYS A 13 22.857 29.664 25.671 1.00 0.00 H ATOM 143 N ARG A 14 15.410 29.728 28.033 1.00 12.34 N ATOM 144 CA ARG A 14 14.743 30.626 28.988 1.00 12.96 C ATOM 145 C ARG A 14 14.447 29.955 30.339 1.00 11.94 C ATOM 146 O ARG A 14 14.499 30.627 31.368 1.00 14.46 O ATOM 147 CB AARG A 14 13.402 31.130 28.417 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 13.546 32.233 27.356 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 12.218 32.944 27.053 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 11.167 31.995 26.654 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 10.855 31.631 25.399 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 11.519 32.120 24.343 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 9.863 30.754 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 14.883 29.429 27.224 1.00 0.00 H ATOM 162 HE AARG A 14 10.651 31.575 27.414 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 11.268 31.844 23.405 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 12.274 32.774 24.484 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 9.626 30.441 24.272 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 9.352 30.376 25.988 0.70 0.00 H ATOM 171 HH21BARG A 14 14.351 36.159 29.070 0.30 0.00 H ATOM 172 N VAL A 15 14.164 28.644 30.341 1.00 11.41 N ATOM 173 CA VAL A 15 13.930 27.843 31.547 1.00 11.71 C ATOM 174 C VAL A 15 15.247 27.256 32.110 1.00 12.33 C ATOM 175 O VAL A 15 15.195 26.452 33.039 1.00 15.00 O ATOM 176 CB VAL A 15 12.899 26.726 31.235 1.00 0.00 C ATOM 177 CG1 VAL A 15 11.531 27.298 30.823 1.00 0.00 C ATOM 178 CG2 VAL A 15 13.400 25.737 30.181 1.00 0.00 C ATOM 179 H VAL A 15 14.122 28.163 29.453 1.00 0.00 H ATOM 180 N GLY A 16 16.417 27.686 31.603 1.00 12.66 N ATOM 181 CA GLY A 16 17.726 27.500 32.225 1.00 13.48 C ATOM 182 C GLY A 16 18.379 26.128 32.032 1.00 12.84 C ATOM 183 O GLY A 16 19.116 25.695 32.917 1.00 15.76 O ATOM 184 H GLY A 16 16.377 28.331 30.825 1.00 0.00 H ATOM 185 N MET A 17 18.108 25.436 30.912 1.00 11.57 N ATOM 186 CA MET A 17 18.644 24.099 30.633 1.00 11.60 C ATOM 187 C MET A 17 20.038 24.125 29.985 1.00 11.86 C ATOM 188 O MET A 17 20.748 23.125 30.091 1.00 14.20 O ATOM 189 CB MET A 17 17.688 23.358 29.677 1.00 13.14 C ATOM 190 CG MET A 17 16.388 22.941 30.376 1.00 14.11 C ATOM 191 SD MET A 17 16.584 21.503 31.465 1.00 18.03 S ATOM 192 CE MET A 17 15.790 20.234 30.449 1.00 24.42 C ATOM 193 H MET A 17 17.480 25.841 30.230 1.00 0.00 H ATOM 194 N ASP A 18 20.456 25.235 29.347 1.00 12.93 N ATOM 195 CA ASP A 18 21.763 25.355 28.695 1.00 14.41 C ATOM 196 C ASP A 18 22.885 25.396 29.751 1.00 14.70 C ATOM 197 O ASP A 18 22.988 26.350 30.523 1.00 17.65 O ATOM 198 CB ASP A 18 21.785 26.618 27.797 1.00 16.44 C ATOM 199 CG ASP A 18 23.035 26.750 26.910 1.00 19.56 C ATOM 200 OD1 ASP A 18 23.645 25.702 26.593 1.00 20.72 O ATOM 201 OD2 ASP A 18 23.336 27.905 26.533 1.00 29.13 O1- ATOM 202 H ASP A 18 19.842 26.036 29.316 1.00 0.00 H ATOM 203 N GLY A 19 23.694 24.329 29.787 1.00 12.95 N ATOM 204 CA GLY A 19 24.772 24.117 30.746 1.00 15.05 C ATOM 205 C GLY A 19 24.324 23.552 32.102 1.00 12.69 C ATOM 206 O GLY A 19 25.160 23.475 33.003 1.00 15.26 O ATOM 207 H GLY A 19 23.516 23.576 29.136 1.00 0.00 H ATOM 208 N TYR A 20 23.044 23.155 32.269 1.00 13.11 N ATOM 209 CA TYR A 20 22.514 22.596 33.517 1.00 11.95 C ATOM 210 C TYR A 20 23.117 21.206 33.753 1.00 11.72 C ATOM 211 O TYR A 20 22.905 20.299 32.948 1.00 12.45 O ATOM 212 CB TYR A 20 20.973 22.487 33.462 1.00 12.49 C ATOM 213 CG TYR A 20 20.370 22.107 34.807 1.00 12.45 C ATOM 214 CD1 TYR A 20 20.058 23.118 35.738 1.00 15.37 C ATOM 215 CD2 TYR A 20 20.197 20.752 35.166 1.00 12.41 C ATOM 216 CE1 TYR A 20 19.610 22.779 37.029 1.00 16.89 C ATOM 217 CE2 TYR A 20 19.759 20.412 36.461 1.00 13.65 C ATOM 218 CZ TYR A 20 19.474 21.426 37.395 1.00 15.67 C ATOM 219 OH TYR A 20 19.072 21.103 38.658 1.00 20.08 O ATOM 220 H TYR A 20 22.413 23.229 31.482 1.00 0.00 H ATOM 221 HH TYR A 20 19.001 21.864 39.215 1.00 0.00 H ATOM 222 N ARG A 21 23.898 21.068 34.840 1.00 13.06 N ATOM 223 CA ARG A 21 24.642 19.861 35.223 1.00 14.28 C ATOM 224 C ARG A 21 25.746 19.505 34.201 1.00 13.33 C ATOM 225 O ARG A 21 26.129 18.342 34.072 1.00 14.35 O ATOM 226 CB ARG A 21 23.681 18.692 35.575 1.00 16.78 C ATOM 227 CG ARG A 21 23.015 18.849 36.958 1.00 25.30 C ATOM 228 CD ARG A 21 23.882 18.300 38.103 1.00 33.61 C ATOM 229 NE ARG A 21 23.987 16.839 37.994 1.00 56.79 N ATOM 230 CZ ARG A 21 24.916 16.031 38.527 1.00 61.31 C ATOM 231 NH1 ARG A 21 25.901 16.509 39.297 1.00 60.56 N ATOM 232 NH2 ARG A 21 24.845 14.718 38.276 1.00 45.90 N1+ ATOM 233 H ARG A 21 24.022 21.879 35.429 1.00 0.00 H ATOM 234 HE ARG A 21 23.252 16.389 37.459 1.00 0.00 H ATOM 235 HH12 ARG A 21 26.593 15.889 39.691 1.00 0.00 H ATOM 236 HH11 ARG A 21 25.956 17.499 39.489 1.00 0.00 H ATOM 237 HH22 ARG A 21 25.529 14.082 38.658 1.00 0.00 H ATOM 238 HH21 ARG A 21 24.082 14.346 37.723 1.00 0.00 H ATOM 239 N GLY A 22 26.243 20.515 33.465 1.00 12.43 N ATOM 240 CA GLY A 22 27.242 20.401 32.406 1.00 12.76 C ATOM 241 C GLY A 22 26.684 19.990 31.035 1.00 11.21 C ATOM 242 O GLY A 22 27.470 19.807 30.107 1.00 12.81 O ATOM 243 H GLY A 22 25.868 21.441 33.628 1.00 0.00 H ATOM 244 N ILE A 23 25.355 19.828 30.897 1.00 11.07 N ATOM 245 CA ILE A 23 24.695 19.368 29.675 1.00 11.77 C ATOM 246 C ILE A 23 24.321 20.613 28.856 1.00 10.74 C ATOM 247 O ILE A 23 23.503 21.424 29.291 1.00 12.48 O ATOM 248 CB ILE A 23 23.406 18.574 30.040 1.00 10.86 C ATOM 249 CG1 ILE A 23 23.696 17.379 30.981 1.00 12.80 C ATOM 250 CG2 ILE A 23 22.668 18.066 28.780 1.00 13.41 C ATOM 251 CD1 ILE A 23 22.460 16.900 31.750 1.00 14.46 C ATOM 252 H ILE A 23 24.765 20.002 31.699 1.00 0.00 H ATOM 253 N SER A 24 24.905 20.731 27.653 1.00 11.50 N ATOM 254 CA SER A 24 24.616 21.782 26.678 1.00 11.97 C ATOM 255 C SER A 24 23.196 21.646 26.103 1.00 11.84 C ATOM 256 O SER A 24 22.623 20.555 26.076 1.00 11.40 O ATOM 257 CB SER A 24 25.675 21.718 25.552 1.00 12.92 C ATOM 258 OG SER A 24 25.512 20.608 24.687 1.00 13.62 O ATOM 259 H SER A 24 25.563 20.019 27.373 1.00 0.00 H ATOM 260 HG SER A 24 26.165 20.665 24.005 1.00 0.00 H ATOM 261 N LEU A 25 22.652 22.768 25.610 1.00 12.17 N ATOM 262 CA LEU A 25 21.350 22.869 24.951 1.00 12.23 C ATOM 263 C LEU A 25 21.204 21.946 23.724 1.00 12.01 C ATOM 264 O LEU A 25 20.112 21.445 23.470 1.00 12.74 O ATOM 265 CB ALEU A 25 21.135 24.349 24.587 0.60 14.96 C ATOM 266 CB BLEU A 25 21.113 24.252 24.416 0.40 14.11 C ATOM 267 CG ALEU A 25 19.788 24.711 23.934 0.60 13.26 C ATOM 268 CG BLEU A 25 20.522 25.236 25.409 0.40 14.92 C ATOM 269 CD1ALEU A 25 18.591 24.406 24.842 0.60 18.00 C ATOM 270 CD1BLEU A 25 20.169 26.550 24.693 0.40 24.21 C ATOM 271 CD2ALEU A 25 19.796 26.188 23.536 0.60 15.14 C ATOM 272 CD2BLEU A 25 19.278 24.653 26.059 0.40 17.27 C ATOM 273 H LEU A 25 23.177 23.628 25.703 1.00 0.00 H ATOM 274 N ALA A 26 22.308 21.680 23.008 1.00 11.62 N ATOM 275 CA ALA A 26 22.389 20.792 21.850 1.00 12.16 C ATOM 276 C ALA A 26 22.149 19.311 22.195 1.00 12.03 C ATOM 277 O ALA A 26 21.560 18.594 21.386 1.00 12.52 O ATOM 278 CB ALA A 26 23.787 20.956 21.241 1.00 14.36 C ATOM 279 H ALA A 26 23.168 22.117 23.305 1.00 0.00 H ATOM 280 N ASN A 27 22.556 18.867 23.399 1.00 11.30 N ATOM 281 CA ASN A 27 22.316 17.516 23.918 1.00 11.72 C ATOM 282 C ASN A 27 20.891 17.338 24.470 1.00 11.31 C ATOM 283 O ASN A 27 20.349 16.238 24.360 1.00 12.02 O ATOM 284 CB ASN A 27 23.325 17.198 25.045 1.00 11.67 C ATOM 285 CG ASN A 27 24.684 16.761 24.496 1.00 12.91 C ATOM 286 OD1 ASN A 27 24.793 15.686 23.912 1.00 15.81 O ATOM 287 ND2 ASN A 27 25.718 17.585 24.665 1.00 15.94 N ATOM 288 H ASN A 27 23.014 19.523 24.016 1.00 0.00 H ATOM 289 HD22 ASN A 27 26.626 17.322 24.311 1.00 0.00 H ATOM 290 HD21 ASN A 27 25.585 18.485 25.108 1.00 0.00 H ATOM 291 N TRP A 28 20.266 18.404 25.003 1.00 10.26 N ATOM 292 CA TRP A 28 18.859 18.413 25.419 1.00 10.77 C ATOM 293 C TRP A 28 17.906 18.411 24.215 1.00 11.26 C ATOM 294 O TRP A 28 16.846 17.789 24.272 1.00 11.17 O ATOM 295 CB TRP A 28 18.564 19.680 26.244 1.00 10.49 C ATOM 296 CG TRP A 28 19.087 19.688 27.644 1.00 10.02 C ATOM 297 CD1 TRP A 28 19.982 20.565 28.147 1.00 12.17 C ATOM 298 CD2 TRP A 28 18.717 18.812 28.752 1.00 10.69 C ATOM 299 NE1 TRP A 28 20.183 20.303 29.485 1.00 12.53 N ATOM 300 CE2 TRP A 28 19.410 19.249 29.921 1.00 11.35 C ATOM 301 CE3 TRP A 28 17.849 17.704 28.895 1.00 12.47 C ATOM 302 CZ2 TRP A 28 19.228 18.641 31.174 1.00 13.34 C ATOM 303 CZ3 TRP A 28 17.668 17.075 30.143 1.00 14.07 C ATOM 304 CH2 TRP A 28 18.343 17.554 31.283 1.00 14.86 C ATOM 305 H TRP A 28 20.778 19.273 25.075 1.00 0.00 H ATOM 306 HE1 TRP A 28 20.801 20.867 30.054 1.00 0.00 H ATOM 307 N MET A 29 18.302 19.084 23.122 1.00 10.67 N ATOM 308 CA MET A 29 17.567 19.144 21.866 1.00 10.61 C ATOM 309 C MET A 29 17.690 17.833 21.074 1.00 11.13 C ATOM 310 O MET A 29 16.723 17.437 20.428 1.00 11.94 O ATOM 311 CB MET A 29 18.134 20.296 21.014 1.00 11.54 C ATOM 312 CG MET A 29 17.592 21.683 21.393 1.00 12.10 C ATOM 313 SD MET A 29 15.806 21.913 21.185 1.00 14.40 S ATOM 314 CE MET A 29 15.611 21.604 19.414 1.00 17.16 C ATOM 315 H MET A 29 19.172 19.597 23.172 1.00 0.00 H ATOM 316 N CYS A 30 18.838 17.135 21.161 1.00 11.31 N ATOM 317 CA CYS A 30 19.035 15.806 20.582 1.00 11.47 C ATOM 318 C CYS A 30 18.187 14.757 21.325 1.00 12.45 C ATOM 319 O CYS A 30 17.545 13.936 20.673 1.00 12.88 O ATOM 320 CB CYS A 30 20.530 15.434 20.628 1.00 12.22 C ATOM 321 SG CYS A 30 20.940 13.900 19.749 1.00 13.65 S ATOM 322 H CYS A 30 19.602 17.530 21.693 1.00 0.00 H ATOM 323 N LEU A 31 18.132 14.824 22.670 1.00 11.57 N ATOM 324 CA LEU A 31 17.282 13.989 23.522 1.00 12.27 C ATOM 325 C LEU A 31 15.795 14.127 23.152 1.00 11.08 C ATOM 326 O LEU A 31 15.148 13.122 22.871 1.00 12.30 O ATOM 327 CB LEU A 31 17.539 14.326 25.012 1.00 13.03 C ATOM 328 CG LEU A 31 16.633 13.596 26.035 1.00 12.69 C ATOM 329 CD1 LEU A 31 16.905 12.087 26.077 1.00 15.53 C ATOM 330 CD2 LEU A 31 16.765 14.210 27.434 1.00 16.22 C ATOM 331 H LEU A 31 18.693 15.525 23.134 1.00 0.00 H ATOM 332 N ALA A 32 15.274 15.365 23.113 1.00 11.51 N ATOM 333 CA ALA A 32 13.874 15.678 22.821 1.00 11.12 C ATOM 334 C ALA A 32 13.430 15.284 21.400 1.00 11.09 C ATOM 335 O ALA A 32 12.264 14.935 21.207 1.00 13.12 O ATOM 336 CB ALA A 32 13.656 17.184 23.023 1.00 12.81 C ATOM 337 H ALA A 32 15.878 16.142 23.349 1.00 0.00 H ATOM 338 N LYS A 33 14.357 15.303 20.424 1.00 10.96 N ATOM 339 CA LYS A 33 14.105 14.937 19.032 1.00 12.88 C ATOM 340 C LYS A 33 13.901 13.425 18.877 1.00 12.92 C ATOM 341 O LYS A 33 12.998 13.010 18.154 1.00 14.54 O ATOM 342 CB LYS A 33 15.301 15.384 18.154 1.00 14.78 C ATOM 343 CG LYS A 33 15.003 15.352 16.642 1.00 24.35 C ATOM 344 CD LYS A 33 15.452 14.064 15.924 1.00 31.88 C ATOM 345 CE LYS A 33 14.633 13.765 14.661 1.00 43.51 C ATOM 346 NZ LYS A 33 14.754 14.839 13.661 1.00 44.62 N1+ ATOM 347 H LYS A 33 15.296 15.593 20.665 1.00 0.00 H ATOM 348 HZ1 LYS A 33 14.420 15.706 14.058 1.00 0.00 H ATOM 349 HZ2 LYS A 33 15.722 14.943 13.394 1.00 0.00 H ATOM 350 HZ3 LYS A 33 14.204 14.607 12.847 1.00 0.00 H ATOM 351 N TRP A 34 14.743 12.608 19.529 1.00 12.70 N ATOM 352 CA TRP A 34 14.748 11.156 19.360 1.00 13.46 C ATOM 353 C TRP A 34 13.863 10.415 20.368 1.00 13.18 C ATOM 354 O TRP A 34 13.552 9.248 20.129 1.00 18.23 O ATOM 355 CB TRP A 34 16.201 10.658 19.453 1.00 14.44 C ATOM 356 CG TRP A 34 17.001 11.036 18.243 1.00 13.70 C ATOM 357 CD1 TRP A 34 18.056 11.879 18.215 1.00 14.63 C ATOM 358 CD2 TRP A 34 16.778 10.631 16.858 1.00 16.12 C ATOM 359 NE1 TRP A 34 18.479 12.049 16.915 1.00 17.71 N ATOM 360 CE2 TRP A 34 17.725 11.307 16.031 1.00 16.71 C ATOM 361 CE3 TRP A 34 15.858 9.772 16.209 1.00 17.51 C ATOM 362 CZ2 TRP A 34 17.749 11.155 14.635 1.00 23.07 C ATOM 363 CZ3 TRP A 34 15.874 9.608 14.809 1.00 23.60 C ATOM 364 CH2 TRP A 34 16.815 10.300 14.022 1.00 24.86 C ATOM 365 H TRP A 34 15.463 13.015 20.110 1.00 0.00 H ATOM 366 HE1 TRP A 34 19.229 12.681 16.664 1.00 0.00 H ATOM 367 N GLU A 35 13.407 11.082 21.440 1.00 12.38 N ATOM 368 CA GLU A 35 12.441 10.526 22.383 1.00 13.11 C ATOM 369 C GLU A 35 11.001 10.763 21.895 1.00 13.40 C ATOM 370 O GLU A 35 10.179 9.858 22.025 1.00 14.31 O ATOM 371 CB GLU A 35 12.618 11.217 23.757 1.00 13.51 C ATOM 372 CG GLU A 35 13.859 10.751 24.554 1.00 13.78 C ATOM 373 CD GLU A 35 13.844 9.297 25.042 1.00 15.30 C ATOM 374 OE1 GLU A 35 12.846 8.585 24.797 1.00 17.48 O ATOM 375 OE2 GLU A 35 14.862 8.909 25.653 1.00 19.70 O1- ATOM 376 H GLU A 35 13.732 12.025 21.602 1.00 0.00 H ATOM 377 N SER A 36 10.686 11.941 21.325 1.00 13.52 N ATOM 378 CA SER A 36 9.307 12.359 21.045 1.00 13.25 C ATOM 379 C SER A 36 9.068 13.005 19.674 1.00 13.07 C ATOM 380 O SER A 36 7.910 13.135 19.276 1.00 15.89 O ATOM 381 CB SER A 36 8.807 13.245 22.200 1.00 13.02 C ATOM 382 OG SER A 36 9.352 14.546 22.098 1.00 13.33 O ATOM 383 H SER A 36 11.414 12.633 21.224 1.00 0.00 H ATOM 384 HG SER A 36 10.272 14.505 22.320 1.00 0.00 H ATOM 385 N GLY A 37 10.121 13.468 18.981 1.00 14.49 N ATOM 386 CA GLY A 37 9.994 14.312 17.791 1.00 14.62 C ATOM 387 C GLY A 37 9.544 15.748 18.106 1.00 12.70 C ATOM 388 O GLY A 37 8.974 16.403 17.236 1.00 16.12 O ATOM 389 H GLY A 37 11.052 13.306 19.337 1.00 0.00 H ATOM 390 N TYR A 38 9.757 16.204 19.355 1.00 12.50 N ATOM 391 CA TYR A 38 9.408 17.516 19.912 1.00 12.41 C ATOM 392 C TYR A 38 7.939 17.616 20.377 1.00 12.36 C ATOM 393 O TYR A 38 7.436 18.721 20.580 1.00 15.84 O ATOM 394 CB TYR A 38 9.858 18.701 19.021 1.00 13.48 C ATOM 395 CG TYR A 38 11.299 18.705 18.533 1.00 12.71 C ATOM 396 CD1 TYR A 38 12.361 18.408 19.410 1.00 13.92 C ATOM 397 CD2 TYR A 38 11.581 19.049 17.193 1.00 15.27 C ATOM 398 CE1 TYR A 38 13.691 18.475 18.960 1.00 14.18 C ATOM 399 CE2 TYR A 38 12.913 19.097 16.737 1.00 16.12 C ATOM 400 CZ TYR A 38 13.971 18.813 17.622 1.00 14.45 C ATOM 401 OH TYR A 38 15.262 18.866 17.183 1.00 16.66 O ATOM 402 H TYR A 38 10.212 15.567 19.995 1.00 0.00 H ATOM 403 HH TYR A 38 15.884 18.633 17.856 1.00 0.00 H ATOM 404 N ASN A 39 7.251 16.470 20.527 1.00 13.71 N ATOM 405 CA ASN A 39 5.830 16.357 20.848 1.00 13.00 C ATOM 406 C ASN A 39 5.657 16.169 22.365 1.00 12.31 C ATOM 407 O ASN A 39 6.108 15.174 22.930 1.00 13.82 O ATOM 408 CB ASN A 39 5.298 15.109 20.101 1.00 14.34 C ATOM 409 CG ASN A 39 3.779 14.905 20.177 1.00 15.85 C ATOM 410 OD1 ASN A 39 3.024 15.816 20.514 1.00 15.88 O ATOM 411 ND2 ASN A 39 3.327 13.684 19.887 1.00 20.01 N ATOM 412 H ASN A 39 7.751 15.606 20.373 1.00 0.00 H ATOM 413 HD22 ASN A 39 2.336 13.495 19.928 1.00 0.00 H ATOM 414 HD21 ASN A 39 3.973 12.956 19.619 1.00 0.00 H ATOM 415 N THR A 40 4.937 17.104 23.006 1.00 11.81 N ATOM 416 CA THR A 40 4.578 17.053 24.425 1.00 12.68 C ATOM 417 C THR A 40 3.458 16.039 24.722 1.00 12.56 C ATOM 418 O THR A 40 3.306 15.645 25.873 1.00 15.38 O ATOM 419 CB THR A 40 4.123 18.452 24.913 1.00 13.66 C ATOM 420 OG1 THR A 40 2.876 18.860 24.376 1.00 14.74 O ATOM 421 CG2 THR A 40 5.150 19.565 24.686 1.00 15.36 C ATOM 422 H THR A 40 4.588 17.891 22.473 1.00 0.00 H ATOM 423 HG1 THR A 40 2.512 19.512 24.959 1.00 0.00 H ATOM 424 N ARG A 41 2.680 15.615 23.712 1.00 13.38 N ATOM 425 CA ARG A 41 1.552 14.697 23.872 1.00 16.46 C ATOM 426 C ARG A 41 1.994 13.221 23.727 1.00 15.27 C ATOM 427 O ARG A 41 1.165 12.324 23.880 1.00 19.49 O ATOM 428 CB AARG A 41 0.523 15.027 22.767 0.50 17.28 C ATOM 429 CB BARG A 41 0.404 14.821 23.012 0.50 22.02 C ATOM 430 CG AARG A 41 -0.910 14.595 23.128 0.50 34.08 C ATOM 431 CG BARG A 41 0.422 13.915 21.782 0.50 26.26 C ATOM 432 CD AARG A 41 -1.871 14.553 21.929 0.50 39.13 C ATOM 433 CD BARG A 41 -0.248 12.591 22.038 0.50 43.32 C ATOM 434 NE AARG A 41 -2.549 13.250 21.871 0.50 41.14 N ATOM 435 NE BARG A 41 0.508 11.430 21.568 0.50 47.48 N ATOM 436 CZ AARG A 41 -3.642 12.896 22.569 0.50 39.71 C ATOM 437 CZ BARG A 41 0.547 10.269 22.215 0.50 46.49 C ATOM 438 NH1AARG A 41 -4.290 13.772 23.351 0.50 40.71 N ATOM 439 NH1BARG A 41 -0.229 10.057 23.275 0.50 39.83 N ATOM 440 NH2AARG A 41 -4.084 11.635 22.491 0.50 42.79 N1+ ATOM 441 NH2BARG A 41 1.362 9.292 21.816 0.50 40.93 N1+ ATOM 442 H ARG A 41 2.867 15.967 22.783 1.00 0.00 H ATOM 443 HE AARG A 41 -2.089 12.545 21.313 0.50 0.00 H ATOM 444 HE BARG A 41 1.018 11.544 20.704 0.50 0.00 H ATOM 445 HH12AARG A 41 -5.106 13.490 23.875 0.50 0.00 H ATOM 446 HH12BARG A 41 -0.192 9.171 23.759 0.50 0.00 H ATOM 447 HH11AARG A 41 -3.961 14.724 23.421 0.50 0.00 H ATOM 448 HH11BARG A 41 -0.855 10.782 23.595 0.50 0.00 H ATOM 449 HH22AARG A 41 -4.899 11.345 23.011 0.50 0.00 H ATOM 450 HH22BARG A 41 1.382 8.415 22.316 0.50 0.00 H ATOM 451 HH21AARG A 41 -3.604 10.959 21.914 0.50 0.00 H ATOM 452 HH21BARG A 41 1.960 9.429 21.013 0.50 0.00 H ATOM 453 N ALA A 42 3.282 12.959 23.436 1.00 15.38 N ATOM 454 CA ALA A 42 3.851 11.631 23.214 1.00 15.24 C ATOM 455 C ALA A 42 3.748 10.739 24.460 1.00 14.57 C ATOM 456 O ALA A 42 4.081 11.166 25.566 1.00 14.15 O ATOM 457 CB ALA A 42 5.323 11.790 22.803 1.00 19.09 C ATOM 458 H ALA A 42 3.912 13.744 23.353 1.00 0.00 H ATOM 459 N THR A 43 3.295 9.495 24.252 1.00 16.63 N ATOM 460 CA THR A 43 3.192 8.436 25.251 1.00 16.63 C ATOM 461 C THR A 43 3.664 7.109 24.649 1.00 17.66 C ATOM 462 O THR A 43 3.371 6.812 23.490 1.00 23.52 O ATOM 463 CB THR A 43 1.785 8.357 25.899 1.00 21.44 C ATOM 464 OG1 THR A 43 0.791 8.043 24.941 1.00 28.38 O ATOM 465 CG2 THR A 43 1.369 9.607 26.685 1.00 24.72 C ATOM 466 H THR A 43 3.039 9.236 23.311 1.00 0.00 H ATOM 467 HG1 THR A 43 1.028 7.232 24.516 1.00 0.00 H ATOM 468 N ASN A 44 4.362 6.307 25.463 1.00 17.38 N ATOM 469 CA ASN A 44 4.850 4.975 25.128 1.00 17.36 C ATOM 470 C ASN A 44 4.630 4.083 26.350 1.00 16.77 C ATOM 471 O ASN A 44 5.303 4.262 27.363 1.00 16.39 O ATOM 472 CB ASN A 44 6.323 5.067 24.669 1.00 21.27 C ATOM 473 CG ASN A 44 6.937 3.707 24.322 1.00 33.34 C ATOM 474 OD1 ASN A 44 6.488 3.039 23.394 1.00 40.32 O ATOM 475 ND2 ASN A 44 7.937 3.279 25.097 1.00 43.32 N ATOM 476 H ASN A 44 4.574 6.643 26.393 1.00 0.00 H ATOM 477 HD22 ASN A 44 8.352 2.375 24.930 1.00 0.00 H ATOM 478 HD21 ASN A 44 8.261 3.844 25.875 1.00 0.00 H ATOM 479 N TYR A 45 3.717 3.106 26.233 1.00 20.06 N ATOM 480 CA TYR A 45 3.501 2.073 27.240 1.00 19.26 C ATOM 481 C TYR A 45 4.515 0.945 27.009 1.00 18.33 C ATOM 482 O TYR A 45 4.612 0.394 25.912 1.00 21.79 O ATOM 483 CB TYR A 45 2.075 1.498 27.092 1.00 21.83 C ATOM 484 CG TYR A 45 1.730 0.402 28.093 1.00 20.44 C ATOM 485 CD1 TYR A 45 1.815 0.660 29.476 1.00 22.19 C ATOM 486 CD2 TYR A 45 1.348 -0.882 27.652 1.00 22.96 C ATOM 487 CE1 TYR A 45 1.517 -0.344 30.414 1.00 21.20 C ATOM 488 CE2 TYR A 45 1.046 -1.890 28.588 1.00 22.77 C ATOM 489 CZ TYR A 45 1.130 -1.621 29.969 1.00 22.00 C ATOM 490 OH TYR A 45 0.836 -2.597 30.875 1.00 25.95 O ATOM 491 H TYR A 45 3.217 3.014 25.361 1.00 0.00 H ATOM 492 HH TYR A 45 0.876 -2.292 31.768 1.00 0.00 H ATOM 493 N ASN A 46 5.245 0.605 28.076 1.00 17.53 N ATOM 494 CA ASN A 46 6.195 -0.496 28.140 1.00 18.07 C ATOM 495 C ASN A 46 5.448 -1.662 28.797 1.00 16.83 C ATOM 496 O ASN A 46 5.257 -1.684 30.012 1.00 18.09 O ATOM 497 CB ASN A 46 7.395 -0.069 29.020 1.00 19.02 C ATOM 498 CG ASN A 46 8.132 1.147 28.452 1.00 21.80 C ATOM 499 OD1 ASN A 46 8.722 1.068 27.377 1.00 27.14 O ATOM 500 ND2 ASN A 46 8.065 2.283 29.148 1.00 24.42 N ATOM 501 H ASN A 46 5.085 1.106 28.942 1.00 0.00 H ATOM 502 HD22 ASN A 46 8.503 3.120 28.776 1.00 0.00 H ATOM 503 HD21 ASN A 46 7.575 2.311 30.031 1.00 0.00 H ATOM 504 N ALA A 47 4.996 -2.621 27.973 1.00 19.59 N ATOM 505 CA ALA A 47 4.173 -3.759 28.386 1.00 23.80 C ATOM 506 C ALA A 47 4.933 -4.801 29.224 1.00 22.64 C ATOM 507 O ALA A 47 4.301 -5.554 29.964 1.00 24.61 O ATOM 508 CB ALA A 47 3.628 -4.440 27.120 1.00 27.76 C ATOM 509 H ALA A 47 5.175 -2.518 26.984 1.00 0.00 H ATOM 510 N GLY A 48 6.274 -4.826 29.133 1.00 19.99 N ATOM 511 CA GLY A 48 7.141 -5.764 29.840 1.00 22.07 C ATOM 512 C GLY A 48 7.292 -5.488 31.341 1.00 19.81 C ATOM 513 O GLY A 48 7.541 -6.430 32.092 1.00 24.08 O ATOM 514 H GLY A 48 6.717 -4.164 28.514 1.00 0.00 H ATOM 515 N ASP A 49 7.115 -4.230 31.782 1.00 18.77 N ATOM 516 CA ASP A 49 7.279 -3.803 33.175 1.00 20.35 C ATOM 517 C ASP A 49 6.075 -2.994 33.693 1.00 17.80 C ATOM 518 O ASP A 49 5.993 -2.754 34.895 1.00 21.18 O ATOM 519 CB ASP A 49 8.664 -3.128 33.371 1.00 20.26 C ATOM 520 CG ASP A 49 8.841 -1.708 32.810 1.00 24.33 C ATOM 521 OD1 ASP A 49 7.970 -1.252 32.038 1.00 19.65 O ATOM 522 OD2 ASP A 49 9.836 -1.070 33.216 1.00 32.10 O1- ATOM 523 H ASP A 49 6.922 -3.508 31.101 1.00 0.00 H ATOM 524 N ARG A 50 5.147 -2.580 32.813 1.00 19.86 N ATOM 525 CA ARG A 50 3.879 -1.901 33.106 1.00 19.68 C ATOM 526 C ARG A 50 4.019 -0.394 33.388 1.00 18.06 C ATOM 527 O ARG A 50 3.068 0.226 33.863 1.00 22.50 O ATOM 528 CB ARG A 50 2.991 -2.664 34.121 1.00 26.39 C ATOM 529 CG ARG A 50 2.643 -4.091 33.667 1.00 33.44 C ATOM 530 CD ARG A 50 1.817 -4.863 34.706 1.00 35.73 C ATOM 531 NE ARG A 50 2.628 -5.902 35.356 1.00 39.51 N ATOM 532 CZ ARG A 50 2.174 -7.046 35.895 1.00 35.58 C ATOM 533 NH1 ARG A 50 0.867 -7.348 35.904 1.00 54.84 N ATOM 534 NH2 ARG A 50 3.048 -7.902 36.438 1.00 33.65 N1+ ATOM 535 H ARG A 50 5.321 -2.775 31.836 1.00 0.00 H ATOM 536 HE ARG A 50 3.618 -5.707 35.412 1.00 0.00 H ATOM 537 HH12 ARG A 50 0.540 -8.212 36.312 1.00 0.00 H ATOM 538 HH11 ARG A 50 0.200 -6.708 35.499 1.00 0.00 H ATOM 539 HH22 ARG A 50 2.729 -8.768 36.849 1.00 0.00 H ATOM 540 HH21 ARG A 50 4.036 -7.696 36.434 1.00 0.00 H ATOM 541 N SER A 51 5.184 0.199 33.078 1.00 16.75 N ATOM 542 CA SER A 51 5.426 1.639 33.142 1.00 15.62 C ATOM 543 C SER A 51 5.040 2.307 31.811 1.00 15.04 C ATOM 544 O SER A 51 4.920 1.648 30.778 1.00 16.06 O ATOM 545 CB SER A 51 6.921 1.884 33.446 1.00 14.40 C ATOM 546 OG SER A 51 7.786 1.554 32.375 1.00 15.71 O ATOM 547 H SER A 51 5.914 -0.372 32.671 1.00 0.00 H ATOM 548 HG SER A 51 7.814 0.608 32.273 1.00 0.00 H ATOM 549 N THR A 52 4.859 3.633 31.854 1.00 13.80 N ATOM 550 CA THR A 52 4.582 4.489 30.706 1.00 11.94 C ATOM 551 C THR A 52 5.587 5.647 30.729 1.00 12.46 C ATOM 552 O THR A 52 5.825 6.251 31.774 1.00 13.36 O ATOM 553 CB THR A 52 3.112 4.974 30.745 1.00 13.80 C ATOM 554 OG1 THR A 52 2.228 3.876 30.725 1.00 15.81 O ATOM 555 CG2 THR A 52 2.720 5.871 29.555 1.00 13.89 C ATOM 556 H THR A 52 4.965 4.104 32.745 1.00 0.00 H ATOM 557 HG1 THR A 52 2.425 3.334 31.475 1.00 0.00 H ATOM 558 N ASP A 53 6.149 5.968 29.559 1.00 12.43 N ATOM 559 CA ASP A 53 6.992 7.136 29.317 1.00 12.59 C ATOM 560 C ASP A 53 6.096 8.273 28.812 1.00 12.09 C ATOM 561 O ASP A 53 5.269 8.053 27.929 1.00 13.31 O ATOM 562 CB ASP A 53 8.014 6.804 28.214 1.00 14.50 C ATOM 563 CG ASP A 53 8.898 5.597 28.529 1.00 17.20 C ATOM 564 OD1 ASP A 53 9.466 5.578 29.643 1.00 20.85 O ATOM 565 OD2 ASP A 53 8.972 4.700 27.661 1.00 22.38 O1- ATOM 566 H ASP A 53 5.910 5.409 28.749 1.00 0.00 H ATOM 567 N TYR A 54 6.246 9.469 29.398 1.00 12.07 N ATOM 568 CA TYR A 54 5.373 10.623 29.188 1.00 11.10 C ATOM 569 C TYR A 54 6.158 11.848 28.719 1.00 11.14 C ATOM 570 O TYR A 54 7.202 12.184 29.280 1.00 11.73 O ATOM 571 CB TYR A 54 4.666 10.966 30.511 1.00 13.10 C ATOM 572 CG TYR A 54 3.596 9.987 30.941 1.00 11.22 C ATOM 573 CD1 TYR A 54 3.910 8.926 31.813 1.00 13.36 C ATOM 574 CD2 TYR A 54 2.269 10.161 30.502 1.00 13.72 C ATOM 575 CE1 TYR A 54 2.890 8.069 32.262 1.00 12.26 C ATOM 576 CE2 TYR A 54 1.253 9.288 30.936 1.00 13.52 C ATOM 577 CZ TYR A 54 1.565 8.242 31.823 1.00 12.36 C ATOM 578 OH TYR A 54 0.592 7.391 32.257 1.00 13.90 O ATOM 579 H TYR A 54 6.950 9.558 30.120 1.00 0.00 H ATOM 580 HH TYR A 54 0.921 6.761 32.890 1.00 0.00 H ATOM 581 N GLY A 55 5.584 12.568 27.747 1.00 12.01 N ATOM 582 CA GLY A 55 5.982 13.915 27.375 1.00 11.22 C ATOM 583 C GLY A 55 7.104 14.000 26.347 1.00 11.31 C ATOM 584 O GLY A 55 7.487 13.010 25.722 1.00 11.64 O ATOM 585 H GLY A 55 4.751 12.201 27.305 1.00 0.00 H ATOM 586 N ILE A 56 7.617 15.229 26.187 1.00 11.13 N ATOM 587 CA ILE A 56 8.653 15.623 25.232 1.00 11.06 C ATOM 588 C ILE A 56 10.029 14.975 25.505 1.00 10.21 C ATOM 589 O ILE A 56 10.826 14.828 24.579 1.00 12.58 O ATOM 590 CB ILE A 56 8.721 17.176 25.199 1.00 12.23 C ATOM 591 CG1 ILE A 56 9.489 17.700 23.966 1.00 12.28 C ATOM 592 CG2 ILE A 56 9.256 17.803 26.506 1.00 13.92 C ATOM 593 CD1 ILE A 56 9.156 19.154 23.607 1.00 18.90 C ATOM 594 H ILE A 56 7.226 15.970 26.751 1.00 0.00 H ATOM 595 N PHE A 57 10.295 14.567 26.756 1.00 10.80 N ATOM 596 CA PHE A 57 11.525 13.894 27.170 1.00 11.58 C ATOM 597 C PHE A 57 11.310 12.397 27.450 1.00 12.60 C ATOM 598 O PHE A 57 12.300 11.704 27.664 1.00 14.93 O ATOM 599 CB PHE A 57 12.053 14.578 28.450 1.00 13.21 C ATOM 600 CG PHE A 57 12.532 16.007 28.258 1.00 13.29 C ATOM 601 CD1 PHE A 57 13.536 16.299 27.309 1.00 15.83 C ATOM 602 CD2 PHE A 57 11.987 17.048 29.039 1.00 17.07 C ATOM 603 CE1 PHE A 57 13.993 17.620 27.144 1.00 21.11 C ATOM 604 CE2 PHE A 57 12.447 18.369 28.877 1.00 22.69 C ATOM 605 CZ PHE A 57 13.452 18.653 27.932 1.00 22.40 C ATOM 606 H PHE A 57 9.594 14.725 27.464 1.00 0.00 H ATOM 607 N GLN A 58 10.058 11.893 27.456 1.00 11.15 N ATOM 608 CA GLN A 58 9.687 10.483 27.662 1.00 11.59 C ATOM 609 C GLN A 58 10.123 9.976 29.048 1.00 12.28 C ATOM 610 O GLN A 58 10.822 8.971 29.178 1.00 16.38 O ATOM 611 CB GLN A 58 10.180 9.596 26.493 1.00 12.66 C ATOM 612 CG GLN A 58 9.402 9.810 25.185 1.00 12.90 C ATOM 613 CD GLN A 58 7.977 9.259 25.231 1.00 13.93 C ATOM 614 OE1 GLN A 58 7.765 8.056 25.114 1.00 15.93 O ATOM 615 NE2 GLN A 58 6.989 10.140 25.384 1.00 13.81 N ATOM 616 H GLN A 58 9.299 12.528 27.252 1.00 0.00 H ATOM 617 HE22 GLN A 58 6.033 9.818 25.428 1.00 0.00 H ATOM 618 HE21 GLN A 58 7.196 11.128 25.468 1.00 0.00 H ATOM 619 N ILE A 59 9.729 10.727 30.084 1.00 11.14 N ATOM 620 CA ILE A 59 10.053 10.497 31.487 1.00 12.69 C ATOM 621 C ILE A 59 9.139 9.378 32.021 1.00 11.92 C ATOM 622 O ILE A 59 7.914 9.459 31.916 1.00 12.81 O ATOM 623 CB ILE A 59 9.855 11.848 32.228 1.00 12.88 C ATOM 624 CG1 ILE A 59 10.978 12.843 31.840 1.00 16.58 C ATOM 625 CG2 ILE A 59 9.775 11.712 33.758 1.00 15.82 C ATOM 626 CD1 ILE A 59 10.691 14.308 32.203 1.00 20.06 C ATOM 627 H ILE A 59 9.139 11.522 29.881 1.00 0.00 H ATOM 628 N ASN A 60 9.772 8.330 32.572 1.00 13.13 N ATOM 629 CA ASN A 60 9.156 7.068 32.971 1.00 12.23 C ATOM 630 C ASN A 60 8.450 7.186 34.335 1.00 12.37 C ATOM 631 O ASN A 60 8.944 7.825 35.264 1.00 15.10 O ATOM 632 CB ASN A 60 10.284 6.016 33.060 1.00 14.92 C ATOM 633 CG ASN A 60 9.744 4.588 33.147 1.00 15.27 C ATOM 634 OD1 ASN A 60 9.646 4.027 34.235 1.00 18.11 O ATOM 635 ND2 ASN A 60 9.389 4.002 32.004 1.00 18.70 N ATOM 636 H ASN A 60 10.779 8.368 32.614 1.00 0.00 H ATOM 637 HD22 ASN A 60 9.009 3.063 32.020 1.00 0.00 H ATOM 638 HD21 ASN A 60 9.475 4.507 31.125 1.00 0.00 H ATOM 639 N SER A 61 7.288 6.527 34.433 1.00 12.35 N ATOM 640 CA SER A 61 6.363 6.569 35.560 1.00 12.09 C ATOM 641 C SER A 61 6.662 5.571 36.696 1.00 13.49 C ATOM 642 O SER A 61 5.924 5.566 37.682 1.00 15.29 O ATOM 643 CB SER A 61 4.960 6.311 34.988 1.00 14.79 C ATOM 644 OG SER A 61 4.819 5.011 34.453 1.00 13.83 O ATOM 645 H SER A 61 6.958 6.034 33.613 1.00 0.00 H ATOM 646 HG SER A 61 4.620 4.411 35.161 1.00 0.00 H ATOM 647 N ARG A 62 7.728 4.755 36.607 1.00 15.46 N ATOM 648 CA ARG A 62 8.187 3.939 37.736 1.00 16.61 C ATOM 649 C ARG A 62 9.106 4.746 38.667 1.00 16.86 C ATOM 650 O ARG A 62 9.147 4.462 39.861 1.00 26.96 O ATOM 651 CB ARG A 62 8.953 2.698 37.223 1.00 19.91 C ATOM 652 CG ARG A 62 9.532 1.818 38.353 1.00 26.96 C ATOM 653 CD ARG A 62 9.829 0.382 37.926 1.00 41.99 C ATOM 654 NE ARG A 62 8.619 -0.439 38.062 1.00 38.78 N ATOM 655 CZ ARG A 62 7.872 -0.928 37.062 1.00 40.02 C ATOM 656 NH1 ARG A 62 8.191 -0.719 35.782 1.00 45.48 N ATOM 657 NH2 ARG A 62 6.777 -1.637 37.346 1.00 51.32 N1+ ATOM 658 H ARG A 62 8.290 4.766 35.766 1.00 0.00 H ATOM 659 HE ARG A 62 8.304 -0.602 39.009 1.00 0.00 H ATOM 660 HH12 ARG A 62 7.615 -1.108 35.047 1.00 0.00 H ATOM 661 HH11 ARG A 62 9.033 -0.222 35.527 1.00 0.00 H ATOM 662 HH22 ARG A 62 6.237 -2.052 36.595 1.00 0.00 H ATOM 663 HH21 ARG A 62 6.469 -1.731 38.305 1.00 0.00 H ATOM 664 N TYR A 63 9.855 5.727 38.143 1.00 17.34 N ATOM 665 CA TYR A 63 10.933 6.381 38.882 1.00 17.97 C ATOM 666 C TYR A 63 10.663 7.865 39.144 1.00 16.02 C ATOM 667 O TYR A 63 11.140 8.375 40.156 1.00 19.73 O ATOM 668 CB TYR A 63 12.245 6.197 38.096 1.00 25.58 C ATOM 669 CG TYR A 63 12.656 4.744 37.928 1.00 28.37 C ATOM 670 CD1 TYR A 63 13.064 3.989 39.048 1.00 32.48 C ATOM 671 CD2 TYR A 63 12.589 4.132 36.659 1.00 34.89 C ATOM 672 CE1 TYR A 63 13.393 2.628 38.900 1.00 37.71 C ATOM 673 CE2 TYR A 63 12.920 2.772 36.511 1.00 35.23 C ATOM 674 CZ TYR A 63 13.319 2.018 37.632 1.00 35.13 C ATOM 675 OH TYR A 63 13.625 0.696 37.494 1.00 45.56 O ATOM 676 H TYR A 63 9.769 5.927 37.157 1.00 0.00 H ATOM 677 HH TYR A 63 13.572 0.393 36.600 1.00 0.00 H ATOM 678 N TRP A 64 9.932 8.559 38.255 1.00 13.82 N ATOM 679 CA TRP A 64 9.965 10.020 38.160 1.00 13.15 C ATOM 680 C TRP A 64 8.607 10.680 38.406 1.00 11.80 C ATOM 681 O TRP A 64 8.523 11.548 39.271 1.00 15.36 O ATOM 682 CB TRP A 64 10.583 10.415 36.809 1.00 13.45 C ATOM 683 CG TRP A 64 11.958 9.864 36.582 1.00 14.00 C ATOM 684 CD1 TRP A 64 12.313 8.975 35.627 1.00 16.69 C ATOM 685 CD2 TRP A 64 13.160 10.112 37.368 1.00 15.23 C ATOM 686 NE1 TRP A 64 13.640 8.632 35.789 1.00 17.44 N ATOM 687 CE2 TRP A 64 14.209 9.285 36.864 1.00 15.85 C ATOM 688 CE3 TRP A 64 13.472 10.953 38.462 1.00 16.08 C ATOM 689 CZ2 TRP A 64 15.493 9.272 37.437 1.00 17.87 C ATOM 690 CZ3 TRP A 64 14.752 10.946 39.048 1.00 17.34 C ATOM 691 CH2 TRP A 64 15.758 10.103 38.539 1.00 18.86 C ATOM 692 H TRP A 64 9.533 8.062 37.470 1.00 0.00 H ATOM 693 HE1 TRP A 64 14.110 7.970 35.188 1.00 0.00 H ATOM 694 N CYS A 65 7.551 10.261 37.695 1.00 14.31 N ATOM 695 CA CYS A 65 6.187 10.770 37.858 1.00 12.60 C ATOM 696 C CYS A 65 5.259 9.641 38.326 1.00 14.32 C ATOM 697 O CYS A 65 5.586 8.466 38.171 1.00 14.95 O ATOM 698 CB CYS A 65 5.727 11.439 36.544 1.00 13.50 C ATOM 699 SG CYS A 65 5.481 10.366 35.095 1.00 14.34 S ATOM 700 H CYS A 65 7.687 9.525 37.015 1.00 0.00 H ATOM 701 N ASN A 66 4.096 9.994 38.894 1.00 13.49 N ATOM 702 CA ASN A 66 3.055 9.050 39.300 1.00 12.07 C ATOM 703 C ASN A 66 1.872 9.157 38.327 1.00 13.15 C ATOM 704 O ASN A 66 1.325 10.241 38.128 1.00 12.75 O ATOM 705 CB ASN A 66 2.595 9.424 40.727 1.00 15.96 C ATOM 706 CG ASN A 66 1.588 8.437 41.327 1.00 19.44 C ATOM 707 OD1 ASN A 66 1.805 7.228 41.299 1.00 21.93 O ATOM 708 ND2 ASN A 66 0.461 8.945 41.828 1.00 22.57 N ATOM 709 H ASN A 66 3.902 10.980 39.019 1.00 0.00 H ATOM 710 HD22 ASN A 66 -0.232 8.325 42.221 1.00 0.00 H ATOM 711 HD21 ASN A 66 0.305 9.942 41.819 1.00 0.00 H ATOM 712 N ASP A 67 1.453 8.010 37.773 1.00 12.42 N ATOM 713 CA ASP A 67 0.209 7.843 37.013 1.00 13.42 C ATOM 714 C ASP A 67 -0.785 6.943 37.779 1.00 13.40 C ATOM 715 O ASP A 67 -1.899 6.730 37.301 1.00 16.86 O ATOM 716 CB ASP A 67 0.516 7.306 35.589 1.00 12.34 C ATOM 717 CG ASP A 67 1.124 5.902 35.446 1.00 13.28 C ATOM 718 OD1 ASP A 67 1.402 5.243 36.473 1.00 14.28 O ATOM 719 OD2 ASP A 67 1.285 5.500 34.272 1.00 14.87 O1- ATOM 720 H ASP A 67 1.988 7.170 37.945 1.00 0.00 H ATOM 721 N GLY A 68 -0.392 6.425 38.957 1.00 13.31 N ATOM 722 CA GLY A 68 -1.201 5.612 39.860 1.00 14.71 C ATOM 723 C GLY A 68 -1.399 4.147 39.446 1.00 17.90 C ATOM 724 O GLY A 68 -1.989 3.398 40.223 1.00 27.90 O ATOM 725 H GLY A 68 0.540 6.650 39.275 1.00 0.00 H ATOM 726 N LYS A 69 -0.920 3.734 38.258 1.00 18.83 N ATOM 727 CA LYS A 69 -1.137 2.404 37.681 1.00 17.60 C ATOM 728 C LYS A 69 0.159 1.615 37.437 1.00 18.43 C ATOM 729 O LYS A 69 0.079 0.474 36.983 1.00 23.74 O ATOM 730 CB LYS A 69 -2.010 2.507 36.407 1.00 20.00 C ATOM 731 CG LYS A 69 -1.362 3.233 35.207 1.00 19.72 C ATOM 732 CD LYS A 69 -2.068 2.911 33.879 1.00 28.11 C ATOM 733 CE LYS A 69 -1.339 3.456 32.640 1.00 40.33 C ATOM 734 NZ LYS A 69 -1.500 4.912 32.503 1.00 48.89 N1+ ATOM 735 H LYS A 69 -0.425 4.407 37.687 1.00 0.00 H ATOM 736 HZ1 LYS A 69 -1.026 5.229 31.669 1.00 0.00 H ATOM 737 HZ2 LYS A 69 -2.480 5.147 32.448 1.00 0.00 H ATOM 738 HZ3 LYS A 69 -1.086 5.365 33.306 1.00 0.00 H ATOM 739 N THR A 70 1.336 2.194 37.730 1.00 17.05 N ATOM 740 CA THR A 70 2.635 1.543 37.554 1.00 18.01 C ATOM 741 C THR A 70 3.052 0.925 38.908 1.00 19.16 C ATOM 742 O THR A 70 3.188 1.672 39.879 1.00 22.32 O ATOM 743 CB THR A 70 3.679 2.606 37.138 1.00 17.38 C ATOM 744 OG1 THR A 70 3.277 3.138 35.895 1.00 16.08 O ATOM 745 CG2 THR A 70 5.087 2.022 36.919 1.00 18.56 C ATOM 746 H THR A 70 1.333 3.136 38.095 1.00 0.00 H ATOM 747 HG1 THR A 70 2.501 3.672 36.028 1.00 0.00 H ATOM 748 N PRO A 71 3.275 -0.411 38.995 1.00 20.91 N ATOM 749 CA PRO A 71 3.800 -1.088 40.196 1.00 23.96 C ATOM 750 C PRO A 71 5.180 -0.550 40.621 1.00 23.90 C ATOM 751 O PRO A 71 6.028 -0.290 39.769 1.00 25.80 O ATOM 752 CB PRO A 71 3.945 -2.571 39.805 1.00 25.33 C ATOM 753 CG PRO A 71 3.099 -2.764 38.560 1.00 29.02 C ATOM 754 CD PRO A 71 2.940 -1.377 37.947 1.00 23.02 C ATOM 755 N GLY A 72 5.414 -0.412 41.935 1.00 31.25 N ATOM 756 CA GLY A 72 6.701 -0.001 42.500 1.00 31.98 C ATOM 757 C GLY A 72 7.119 1.443 42.178 1.00 28.73 C ATOM 758 O GLY A 72 8.316 1.716 42.095 1.00 39.18 O ATOM 759 H GLY A 72 4.676 -0.641 42.585 1.00 0.00 H ATOM 760 N ALA A 73 6.143 2.345 41.962 1.00 25.80 N ATOM 761 CA ALA A 73 6.348 3.751 41.617 1.00 26.10 C ATOM 762 C ALA A 73 6.975 4.540 42.780 1.00 24.83 C ATOM 763 O ALA A 73 6.521 4.432 43.919 1.00 28.55 O ATOM 764 CB ALA A 73 4.999 4.379 41.236 1.00 30.47 C ATOM 765 H ALA A 73 5.186 2.030 42.032 1.00 0.00 H ATOM 766 N VAL A 74 8.023 5.321 42.476 1.00 25.08 N ATOM 767 CA VAL A 74 8.808 6.102 43.435 1.00 27.99 C ATOM 768 C VAL A 74 8.326 7.565 43.456 1.00 23.91 C ATOM 769 O VAL A 74 8.188 8.131 44.540 1.00 27.27 O ATOM 770 CB VAL A 74 10.308 6.030 43.024 1.00 26.11 C ATOM 771 CG1 VAL A 74 11.236 6.915 43.882 1.00 30.20 C ATOM 772 CG2 VAL A 74 10.829 4.579 43.046 1.00 34.73 C ATOM 773 H VAL A 74 8.351 5.309 41.519 1.00 0.00 H ATOM 774 N ASN A 75 8.094 8.174 42.276 1.00 22.30 N ATOM 775 CA ASN A 75 7.639 9.556 42.069 1.00 17.58 C ATOM 776 C ASN A 75 8.679 10.570 42.596 1.00 16.17 C ATOM 777 O ASN A 75 8.370 11.398 43.454 1.00 16.46 O ATOM 778 CB ASN A 75 6.208 9.762 42.642 1.00 17.90 C ATOM 779 CG ASN A 75 5.538 11.072 42.202 1.00 18.28 C ATOM 780 OD1 ASN A 75 5.942 11.695 41.224 1.00 18.76 O ATOM 781 ND2 ASN A 75 4.523 11.514 42.947 1.00 19.69 N ATOM 782 H ASN A 75 8.238 7.624 41.441 1.00 0.00 H ATOM 783 HD22 ASN A 75 4.058 12.374 42.694 1.00 0.00 H ATOM 784 HD21 ASN A 75 4.225 10.992 43.757 1.00 0.00 H ATOM 785 N ALA A 76 9.924 10.484 42.099 1.00 15.78 N ATOM 786 CA ALA A 76 11.056 11.287 42.563 1.00 15.84 C ATOM 787 C ALA A 76 10.990 12.774 42.160 1.00 16.60 C ATOM 788 O ALA A 76 11.645 13.590 42.811 1.00 18.71 O ATOM 789 CB ALA A 76 12.347 10.676 42.002 1.00 19.70 C ATOM 790 H ALA A 76 10.117 9.772 41.407 1.00 0.00 H ATOM 791 N CYS A 77 10.191 13.142 41.142 1.00 15.43 N ATOM 792 CA CYS A 77 9.926 14.536 40.762 1.00 15.15 C ATOM 793 C CYS A 77 8.734 15.124 41.534 1.00 15.94 C ATOM 794 O CYS A 77 8.595 16.346 41.569 1.00 16.72 O ATOM 795 CB CYS A 77 9.576 14.613 39.263 1.00 15.14 C ATOM 796 SG CYS A 77 10.926 14.108 38.171 1.00 14.34 S ATOM 797 H CYS A 77 9.684 12.423 40.641 1.00 0.00 H ATOM 798 N HIS A 78 7.877 14.275 42.131 1.00 15.99 N ATOM 799 CA HIS A 78 6.707 14.636 42.941 1.00 16.71 C ATOM 800 C HIS A 78 5.604 15.305 42.100 1.00 17.72 C ATOM 801 O HIS A 78 4.948 16.245 42.548 1.00 18.21 O ATOM 802 CB HIS A 78 7.089 15.383 44.240 1.00 25.66 C ATOM 803 CG HIS A 78 7.909 14.538 45.185 1.00 30.49 C ATOM 804 ND1 HIS A 78 9.276 14.355 45.050 1.00 33.57 N ATOM 805 CD2 HIS A 78 7.538 13.759 46.260 1.00 31.11 C ATOM 806 CE1 HIS A 78 9.657 13.507 46.009 1.00 32.40 C ATOM 807 NE2 HIS A 78 8.656 13.107 46.784 1.00 35.66 N ATOM 808 H HIS A 78 8.072 13.286 42.054 1.00 0.00 H ATOM 809 HD1 HIS A 78 9.869 14.757 44.339 1.00 0.00 H ATOM 810 N LEU A 79 5.442 14.820 40.860 1.00 15.10 N ATOM 811 CA LEU A 79 4.464 15.259 39.873 1.00 16.14 C ATOM 812 C LEU A 79 3.500 14.119 39.542 1.00 14.36 C ATOM 813 O LEU A 79 3.870 12.945 39.556 1.00 16.77 O ATOM 814 CB LEU A 79 5.189 15.627 38.557 1.00 20.57 C ATOM 815 CG LEU A 79 5.960 16.957 38.555 1.00 27.66 C ATOM 816 CD1 LEU A 79 6.745 17.080 37.243 1.00 29.20 C ATOM 817 CD2 LEU A 79 5.037 18.176 38.728 1.00 32.17 C ATOM 818 H LEU A 79 6.022 14.036 40.595 1.00 0.00 H ATOM 819 N SER A 80 2.291 14.499 39.107 1.00 12.78 N ATOM 820 CA SER A 80 1.430 13.655 38.289 1.00 13.23 C ATOM 821 C SER A 80 2.027 13.606 36.870 1.00 12.09 C ATOM 822 O SER A 80 2.485 14.631 36.361 1.00 12.94 O ATOM 823 CB SER A 80 0.023 14.286 38.241 1.00 14.70 C ATOM 824 OG SER A 80 -0.865 13.512 37.456 1.00 14.92 O ATOM 825 H SER A 80 2.075 15.485 39.122 1.00 0.00 H ATOM 826 HG SER A 80 -0.995 12.678 37.883 1.00 0.00 H ATOM 827 N CYS A 81 2.000 12.433 36.217 1.00 12.15 N ATOM 828 CA CYS A 81 2.479 12.252 34.843 1.00 11.82 C ATOM 829 C CYS A 81 1.658 13.031 33.793 1.00 11.57 C ATOM 830 O CYS A 81 2.147 13.253 32.687 1.00 13.13 O ATOM 831 CB CYS A 81 2.458 10.763 34.470 1.00 13.14 C ATOM 832 SG CYS A 81 3.591 9.641 35.338 1.00 13.20 S ATOM 833 H CYS A 81 1.633 11.621 36.698 1.00 0.00 H ATOM 834 N SER A 82 0.440 13.482 34.149 1.00 12.73 N ATOM 835 CA SER A 82 -0.409 14.368 33.352 1.00 13.54 C ATOM 836 C SER A 82 0.166 15.794 33.202 1.00 11.95 C ATOM 837 O SER A 82 -0.170 16.476 32.234 1.00 13.03 O ATOM 838 CB ASER A 82 -1.821 14.406 33.980 0.60 17.55 C ATOM 839 CB BSER A 82 -1.700 14.550 34.238 0.40 15.56 C ATOM 840 OG ASER A 82 -1.884 15.136 35.193 0.60 18.83 O ATOM 841 OG BSER A 82 -2.531 15.491 33.556 0.40 19.98 O ATOM 842 H SER A 82 0.114 13.257 35.079 1.00 0.00 H ATOM 843 HG ASER A 82 -1.440 14.646 35.872 0.60 0.00 H ATOM 844 HG BSER A 82 -3.355 15.598 34.036 0.40 0.00 H ATOM 845 N ALA A 83 1.065 16.224 34.111 1.00 12.11 N ATOM 846 CA ALA A 83 1.778 17.503 34.050 1.00 12.56 C ATOM 847 C ALA A 83 2.854 17.522 32.949 1.00 13.55 C ATOM 848 O ALA A 83 3.253 18.597 32.503 1.00 15.23 O ATOM 849 CB ALA A 83 2.467 17.754 35.402 1.00 15.16 C ATOM 850 H ALA A 83 1.305 15.604 34.872 1.00 0.00 H ATOM 851 N LEU A 84 3.294 16.339 32.490 1.00 12.54 N ATOM 852 CA LEU A 84 4.255 16.147 31.408 1.00 12.71 C ATOM 853 C LEU A 84 3.558 16.063 30.032 1.00 13.40 C ATOM 854 O LEU A 84 4.251 15.991 29.020 1.00 16.08 O ATOM 855 CB LEU A 84 5.002 14.816 31.652 1.00 14.18 C ATOM 856 CG LEU A 84 5.665 14.673 33.042 1.00 17.81 C ATOM 857 CD1 LEU A 84 6.252 13.269 33.194 1.00 20.67 C ATOM 858 CD2 LEU A 84 6.749 15.728 33.285 1.00 21.32 C ATOM 859 H LEU A 84 2.905 15.503 32.904 1.00 0.00 H ATOM 860 N LEU A 85 2.212 16.099 29.986 1.00 12.93 N ATOM 861 CA LEU A 85 1.399 16.083 28.767 1.00 13.54 C ATOM 862 C LEU A 85 0.791 17.461 28.436 1.00 13.88 C ATOM 863 O LEU A 85 -0.014 17.565 27.510 1.00 16.87 O ATOM 864 CB LEU A 85 0.289 15.016 28.898 1.00 13.39 C ATOM 865 CG LEU A 85 0.793 13.560 29.021 1.00 13.51 C ATOM 866 CD1 LEU A 85 -0.404 12.608 29.173 1.00 18.29 C ATOM 867 CD2 LEU A 85 1.676 13.137 27.832 1.00 16.82 C ATOM 868 H LEU A 85 1.714 16.163 30.863 1.00 0.00 H ATOM 869 N GLN A 86 1.208 18.524 29.144 1.00 14.21 N ATOM 870 CA GLN A 86 0.833 19.915 28.885 1.00 14.01 C ATOM 871 C GLN A 86 1.652 20.479 27.709 1.00 14.22 C ATOM 872 O GLN A 86 2.786 20.058 27.480 1.00 16.42 O ATOM 873 CB GLN A 86 1.199 20.757 30.125 1.00 15.40 C ATOM 874 CG GLN A 86 0.404 20.412 31.394 1.00 18.36 C ATOM 875 CD GLN A 86 0.755 21.379 32.526 1.00 22.98 C ATOM 876 OE1 GLN A 86 0.190 22.466 32.614 1.00 25.88 O ATOM 877 NE2 GLN A 86 1.688 20.984 33.392 1.00 27.04 N ATOM 878 H GLN A 86 1.888 18.364 29.873 1.00 0.00 H ATOM 879 HE22 GLN A 86 1.966 21.579 34.163 1.00 0.00 H ATOM 880 HE21 GLN A 86 2.163 20.102 33.252 1.00 0.00 H ATOM 881 N ASP A 87 1.098 21.481 27.004 1.00 13.89 N ATOM 882 CA ASP A 87 1.798 22.253 25.965 1.00 14.61 C ATOM 883 C ASP A 87 2.906 23.151 26.548 1.00 16.13 C ATOM 884 O ASP A 87 3.907 23.394 25.874 1.00 20.65 O ATOM 885 CB ASP A 87 0.802 23.145 25.184 1.00 15.52 C ATOM 886 CG ASP A 87 -0.276 22.398 24.390 1.00 15.85 C ATOM 887 OD1 ASP A 87 -0.116 21.176 24.171 1.00 18.46 O ATOM 888 OD2 ASP A 87 -1.226 23.085 23.960 1.00 18.72 O1- ATOM 889 H ASP A 87 0.155 21.762 27.229 1.00 0.00 H ATOM 890 N ASN A 88 2.746 23.595 27.808 1.00 15.81 N ATOM 891 CA ASN A 88 3.758 24.285 28.602 1.00 17.79 C ATOM 892 C ASN A 88 4.642 23.201 29.243 1.00 16.08 C ATOM 893 O ASN A 88 4.142 22.323 29.947 1.00 19.07 O ATOM 894 CB ASN A 88 3.029 25.086 29.709 1.00 20.11 C ATOM 895 CG ASN A 88 3.943 26.095 30.413 1.00 22.92 C ATOM 896 OD1 ASN A 88 4.848 25.710 31.148 1.00 26.75 O ATOM 897 ND2 ASN A 88 3.724 27.391 30.179 1.00 44.22 N ATOM 898 H ASN A 88 1.897 23.334 28.287 1.00 0.00 H ATOM 899 HD22 ASN A 88 4.310 28.081 30.626 1.00 0.00 H ATOM 900 HD21 ASN A 88 2.970 27.677 29.573 1.00 0.00 H ATOM 901 N ILE A 89 5.957 23.268 28.988 1.00 12.57 N ATOM 902 CA ILE A 89 6.929 22.240 29.367 1.00 12.70 C ATOM 903 C ILE A 89 7.715 22.598 30.644 1.00 11.43 C ATOM 904 O ILE A 89 8.733 21.963 30.905 1.00 12.56 O ATOM 905 CB ILE A 89 7.880 21.963 28.164 1.00 12.99 C ATOM 906 CG1 ILE A 89 8.766 23.165 27.745 1.00 14.29 C ATOM 907 CG2 ILE A 89 7.086 21.397 26.971 1.00 16.72 C ATOM 908 CD1 ILE A 89 9.898 22.774 26.784 1.00 17.23 C ATOM 909 H ILE A 89 6.294 24.027 28.414 1.00 0.00 H ATOM 910 N ALA A 90 7.266 23.577 31.454 1.00 12.52 N ATOM 911 CA ALA A 90 7.940 24.022 32.681 1.00 11.88 C ATOM 912 C ALA A 90 8.088 22.919 33.748 1.00 12.16 C ATOM 913 O ALA A 90 9.154 22.810 34.352 1.00 12.58 O ATOM 914 CB ALA A 90 7.192 25.225 33.272 1.00 16.43 C ATOM 915 H ALA A 90 6.414 24.058 31.196 1.00 0.00 H ATOM 916 N ASP A 91 7.056 22.076 33.935 1.00 12.34 N ATOM 917 CA ASP A 91 7.077 20.928 34.852 1.00 13.06 C ATOM 918 C ASP A 91 7.866 19.737 34.279 1.00 13.27 C ATOM 919 O ASP A 91 8.479 19.000 35.050 1.00 14.41 O ATOM 920 CB ASP A 91 5.634 20.453 35.157 1.00 16.70 C ATOM 921 CG ASP A 91 4.773 21.475 35.908 1.00 21.64 C ATOM 922 OD1 ASP A 91 5.349 22.262 36.690 1.00 25.67 O ATOM 923 OD2 ASP A 91 3.540 21.432 35.706 1.00 30.98 O1- ATOM 924 H ASP A 91 6.209 22.231 33.407 1.00 0.00 H ATOM 925 N ALA A 92 7.901 19.572 32.944 1.00 12.68 N ATOM 926 CA ALA A 92 8.693 18.545 32.261 1.00 12.92 C ATOM 927 C ALA A 92 10.196 18.852 32.305 1.00 11.99 C ATOM 928 O ALA A 92 10.998 17.931 32.435 1.00 13.19 O ATOM 929 CB ALA A 92 8.233 18.438 30.798 1.00 14.28 C ATOM 930 H ALA A 92 7.386 20.223 32.369 1.00 0.00 H ATOM 931 N VAL A 93 10.562 20.141 32.260 1.00 11.60 N ATOM 932 CA VAL A 93 11.916 20.659 32.429 1.00 11.58 C ATOM 933 C VAL A 93 12.372 20.536 33.892 1.00 10.95 C ATOM 934 O VAL A 93 13.513 20.147 34.121 1.00 12.78 O ATOM 935 CB VAL A 93 11.930 22.132 31.944 1.00 12.54 C ATOM 936 CG1 VAL A 93 13.113 22.968 32.465 1.00 15.10 C ATOM 937 CG2 VAL A 93 11.880 22.183 30.405 1.00 14.14 C ATOM 938 H VAL A 93 9.831 20.827 32.122 1.00 0.00 H ATOM 939 N ALA A 94 11.499 20.834 34.870 1.00 11.32 N ATOM 940 CA ALA A 94 11.793 20.738 36.303 1.00 14.03 C ATOM 941 C ALA A 94 12.052 19.290 36.754 1.00 11.77 C ATOM 942 O ALA A 94 12.897 19.061 37.620 1.00 13.70 O ATOM 943 CB ALA A 94 10.612 21.320 37.094 1.00 15.14 C ATOM 944 H ALA A 94 10.579 21.164 34.608 1.00 0.00 H ATOM 945 N CYS A 95 11.366 18.320 36.127 1.00 11.92 N ATOM 946 CA CYS A 95 11.551 16.894 36.363 1.00 11.46 C ATOM 947 C CYS A 95 12.731 16.328 35.555 1.00 10.97 C ATOM 948 O CYS A 95 13.417 15.446 36.061 1.00 12.53 O ATOM 949 CB CYS A 95 10.251 16.170 35.981 1.00 12.67 C ATOM 950 SG CYS A 95 10.183 14.381 36.292 1.00 13.56 S ATOM 951 H CYS A 95 10.679 18.593 35.437 1.00 0.00 H ATOM 952 N ALA A 96 13.028 16.857 34.353 1.00 10.42 N ATOM 953 CA ALA A 96 14.213 16.494 33.569 1.00 11.09 C ATOM 954 C ALA A 96 15.512 16.985 34.232 1.00 11.76 C ATOM 955 O ALA A 96 16.529 16.301 34.148 1.00 13.14 O ATOM 956 CB ALA A 96 14.106 17.098 32.162 1.00 13.08 C ATOM 957 H ALA A 96 12.420 17.569 33.972 1.00 0.00 H ATOM 958 N LYS A 97 15.455 18.123 34.948 1.00 11.55 N ATOM 959 CA LYS A 97 16.515 18.640 35.810 1.00 11.67 C ATOM 960 C LYS A 97 16.750 17.724 37.022 1.00 11.49 C ATOM 961 O LYS A 97 17.903 17.454 37.347 1.00 14.28 O ATOM 962 CB LYS A 97 16.147 20.055 36.296 1.00 12.72 C ATOM 963 CG LYS A 97 16.406 21.146 35.248 1.00 12.67 C ATOM 964 CD LYS A 97 16.006 22.530 35.766 1.00 13.88 C ATOM 965 CE LYS A 97 16.268 23.644 34.749 1.00 14.34 C ATOM 966 NZ LYS A 97 15.909 24.952 35.317 1.00 16.93 N1+ ATOM 967 H LYS A 97 14.587 18.643 34.931 1.00 0.00 H ATOM 968 HZ1 LYS A 97 15.981 25.657 34.592 1.00 0.00 H ATOM 969 HZ2 LYS A 97 14.956 24.927 35.650 1.00 0.00 H ATOM 970 HZ3 LYS A 97 16.530 25.181 36.079 1.00 0.00 H ATOM 971 N ARG A 98 15.675 17.210 37.653 1.00 12.01 N ATOM 972 CA ARG A 98 15.732 16.230 38.742 1.00 12.87 C ATOM 973 C ARG A 98 16.377 14.899 38.311 1.00 12.26 C ATOM 974 O ARG A 98 17.184 14.367 39.071 1.00 14.55 O ATOM 975 CB ARG A 98 14.319 16.025 39.348 1.00 13.46 C ATOM 976 CG ARG A 98 14.161 14.868 40.362 1.00 14.92 C ATOM 977 CD ARG A 98 15.007 15.022 41.635 1.00 17.52 C ATOM 978 NE ARG A 98 15.048 13.773 42.410 1.00 17.98 N ATOM 979 CZ ARG A 98 16.024 12.845 42.372 1.00 18.76 C ATOM 980 NH1 ARG A 98 17.058 12.945 41.528 1.00 21.63 N ATOM 981 NH2 ARG A 98 15.966 11.787 43.188 1.00 21.98 N1+ ATOM 982 H ARG A 98 14.758 17.475 37.319 1.00 0.00 H ATOM 983 HE ARG A 98 14.258 13.613 43.020 1.00 0.00 H ATOM 984 HH12 ARG A 98 17.804 12.247 41.527 1.00 0.00 H ATOM 985 HH11 ARG A 98 17.092 13.684 40.836 1.00 0.00 H ATOM 986 HH22 ARG A 98 16.693 11.086 43.149 1.00 0.00 H ATOM 987 HH21 ARG A 98 15.205 11.676 43.842 1.00 0.00 H ATOM 988 N VAL A 99 16.062 14.391 37.103 1.00 11.86 N ATOM 989 CA VAL A 99 16.636 13.172 36.513 1.00 12.33 C ATOM 990 C VAL A 99 18.171 13.239 36.435 1.00 12.78 C ATOM 991 O VAL A 99 18.845 12.297 36.851 1.00 14.35 O ATOM 992 CB VAL A 99 16.000 12.879 35.121 1.00 12.64 C ATOM 993 CG1 VAL A 99 16.699 11.741 34.344 1.00 14.52 C ATOM 994 CG2 VAL A 99 14.496 12.562 35.205 1.00 14.42 C ATOM 995 H VAL A 99 15.374 14.884 36.549 1.00 0.00 H ATOM 996 N VAL A 100 18.713 14.357 35.924 1.00 13.05 N ATOM 997 CA VAL A 100 20.145 14.522 35.684 1.00 12.65 C ATOM 998 C VAL A 100 20.927 14.984 36.929 1.00 14.23 C ATOM 999 O VAL A 100 22.153 15.025 36.853 1.00 17.68 O ATOM 1000 CB VAL A 100 20.380 15.484 34.489 1.00 12.79 C ATOM 1001 CG1 VAL A 100 19.713 14.944 33.213 1.00 14.07 C ATOM 1002 CG2 VAL A 100 19.962 16.942 34.739 1.00 14.57 C ATOM 1003 H VAL A 100 18.098 15.098 35.616 1.00 0.00 H ATOM 1004 N ARG A 101 20.267 15.274 38.072 1.00 15.12 N ATOM 1005 CA ARG A 101 20.929 15.489 39.367 1.00 17.78 C ATOM 1006 C ARG A 101 21.406 14.175 40.018 1.00 20.08 C ATOM 1007 O ARG A 101 22.266 14.235 40.897 1.00 23.74 O ATOM 1008 CB ARG A 101 20.012 16.247 40.354 1.00 18.42 C ATOM 1009 CG ARG A 101 19.953 17.760 40.075 1.00 18.87 C ATOM 1010 CD ARG A 101 19.425 18.598 41.248 1.00 18.67 C ATOM 1011 NE ARG A 101 18.055 18.238 41.644 1.00 20.24 N ATOM 1012 CZ ARG A 101 16.918 18.758 41.151 1.00 16.31 C ATOM 1013 NH1 ARG A 101 16.921 19.609 40.115 1.00 19.85 N ATOM 1014 NH2 ARG A 101 15.750 18.420 41.710 1.00 21.13 N1+ ATOM 1015 H ARG A 101 19.257 15.229 38.065 1.00 0.00 H ATOM 1016 HE ARG A 101 17.988 17.561 42.390 1.00 0.00 H ATOM 1017 HH12 ARG A 101 16.056 19.989 39.760 1.00 0.00 H ATOM 1018 HH11 ARG A 101 17.793 19.863 39.667 1.00 0.00 H ATOM 1019 HH22 ARG A 101 14.885 18.807 41.360 1.00 0.00 H ATOM 1020 HH21 ARG A 101 15.727 17.810 42.514 1.00 0.00 H ATOM 1021 N ASP A 102 20.934 13.003 39.552 1.00 17.13 N ATOM 1022 CA ASP A 102 21.527 11.699 39.875 1.00 18.60 C ATOM 1023 C ASP A 102 22.850 11.508 39.095 1.00 18.33 C ATOM 1024 O ASP A 102 22.997 12.101 38.022 1.00 17.88 O ATOM 1025 CB ASP A 102 20.553 10.550 39.512 1.00 25.63 C ATOM 1026 CG ASP A 102 19.376 10.372 40.480 1.00 29.45 C ATOM 1027 OD1 ASP A 102 19.200 11.223 41.380 1.00 31.08 O ATOM 1028 OD2 ASP A 102 18.673 9.353 40.318 1.00 39.39 O1- ATOM 1029 H ASP A 102 20.227 13.021 38.831 1.00 0.00 H ATOM 1030 N PRO A 103 23.815 10.707 39.617 1.00 21.13 N ATOM 1031 CA PRO A 103 25.160 10.484 39.042 1.00 24.39 C ATOM 1032 C PRO A 103 25.247 10.156 37.542 1.00 20.09 C ATOM 1033 O PRO A 103 26.219 10.541 36.894 1.00 18.73 O ATOM 1034 CB PRO A 103 25.751 9.315 39.845 1.00 27.01 C ATOM 1035 CG PRO A 103 25.064 9.387 41.191 1.00 27.24 C ATOM 1036 CD PRO A 103 23.697 10.000 40.899 1.00 23.20 C ATOM 1037 N GLN A 104 24.237 9.453 37.003 1.00 18.34 N ATOM 1038 CA GLN A 104 24.165 8.982 35.621 1.00 21.23 C ATOM 1039 C GLN A 104 24.032 10.139 34.608 1.00 17.94 C ATOM 1040 O GLN A 104 24.524 10.030 33.485 1.00 18.00 O ATOM 1041 CB GLN A 104 22.953 8.025 35.526 1.00 24.12 C ATOM 1042 CG GLN A 104 23.131 6.914 34.473 1.00 47.13 C ATOM 1043 CD GLN A 104 21.965 5.925 34.356 1.00 47.32 C ATOM 1044 OE1 GLN A 104 22.055 4.973 33.586 1.00 60.39 O ATOM 1045 NE2 GLN A 104 20.870 6.124 35.095 1.00 62.61 N ATOM 1046 H GLN A 104 23.476 9.189 37.612 1.00 0.00 H ATOM 1047 HE22 GLN A 104 20.100 5.475 35.028 1.00 0.00 H ATOM 1048 HE21 GLN A 104 20.817 6.913 35.722 1.00 0.00 H ATOM 1049 N GLY A 105 23.401 11.255 35.013 1.00 16.59 N ATOM 1050 CA GLY A 105 23.160 12.425 34.178 1.00 17.91 C ATOM 1051 C GLY A 105 22.122 12.130 33.092 1.00 15.90 C ATOM 1052 O GLY A 105 21.123 11.455 33.348 1.00 17.09 O ATOM 1053 H GLY A 105 23.053 11.288 35.962 1.00 0.00 H ATOM 1054 N ILE A 106 22.373 12.637 31.875 1.00 15.81 N ATOM 1055 CA ILE A 106 21.537 12.441 30.687 1.00 17.11 C ATOM 1056 C ILE A 106 21.655 11.018 30.077 1.00 15.80 C ATOM 1057 O ILE A 106 20.874 10.675 29.190 1.00 16.82 O ATOM 1058 CB ILE A 106 21.877 13.557 29.659 1.00 17.55 C ATOM 1059 CG1 ILE A 106 20.840 13.639 28.514 1.00 19.14 C ATOM 1060 CG2 ILE A 106 23.323 13.479 29.123 1.00 21.03 C ATOM 1061 CD1 ILE A 106 20.762 15.008 27.828 1.00 17.90 C ATOM 1062 H ILE A 106 23.211 13.186 31.753 1.00 0.00 H ATOM 1063 N ARG A 107 22.558 10.158 30.588 1.00 16.58 N ATOM 1064 CA ARG A 107 22.642 8.734 30.233 1.00 17.13 C ATOM 1065 C ARG A 107 21.521 7.898 30.877 1.00 20.36 C ATOM 1066 O ARG A 107 21.404 6.721 30.549 1.00 21.86 O ATOM 1067 CB ARG A 107 24.000 8.150 30.677 1.00 18.94 C ATOM 1068 CG ARG A 107 25.170 8.719 29.876 1.00 23.89 C ATOM 1069 CD ARG A 107 26.543 8.361 30.455 1.00 39.98 C ATOM 1070 NE ARG A 107 27.556 9.239 29.859 1.00 47.72 N ATOM 1071 CZ ARG A 107 27.765 10.519 30.213 1.00 67.00 C ATOM 1072 NH1 ARG A 107 27.120 11.080 31.250 1.00 74.07 N ATOM 1073 NH2 ARG A 107 28.626 11.255 29.502 1.00 64.71 N1+ ATOM 1074 H ARG A 107 23.160 10.486 31.331 1.00 0.00 H ATOM 1075 HE ARG A 107 28.058 8.864 29.065 1.00 0.00 H ATOM 1076 HH12 ARG A 107 27.293 12.042 31.504 1.00 0.00 H ATOM 1077 HH11 ARG A 107 26.471 10.533 31.799 1.00 0.00 H ATOM 1078 HH22 ARG A 107 28.803 12.219 29.747 1.00 0.00 H ATOM 1079 HH21 ARG A 107 29.121 10.848 28.722 1.00 0.00 H ATOM 1080 N ALA A 108 20.664 8.490 31.730 1.00 18.54 N ATOM 1081 CA ALA A 108 19.431 7.889 32.246 1.00 21.58 C ATOM 1082 C ALA A 108 18.442 7.492 31.134 1.00 18.41 C ATOM 1083 O ALA A 108 17.742 6.489 31.269 1.00 24.26 O ATOM 1084 CB ALA A 108 18.775 8.875 33.225 1.00 25.52 C ATOM 1085 H ALA A 108 20.827 9.460 31.963 1.00 0.00 H ATOM 1086 N TRP A 109 18.441 8.241 30.020 1.00 16.15 N ATOM 1087 CA TRP A 109 17.740 7.918 28.784 1.00 16.79 C ATOM 1088 C TRP A 109 18.709 7.185 27.845 1.00 15.57 C ATOM 1089 O TRP A 109 19.772 7.711 27.507 1.00 17.44 O ATOM 1090 CB TRP A 109 17.321 9.240 28.122 1.00 14.21 C ATOM 1091 CG TRP A 109 16.287 10.026 28.874 1.00 14.22 C ATOM 1092 CD1 TRP A 109 14.955 9.798 28.842 1.00 17.01 C ATOM 1093 CD2 TRP A 109 16.469 11.193 29.734 1.00 13.07 C ATOM 1094 NE1 TRP A 109 14.305 10.736 29.615 1.00 16.16 N ATOM 1095 CE2 TRP A 109 15.184 11.642 30.169 1.00 14.95 C ATOM 1096 CE3 TRP A 109 17.588 11.935 30.175 1.00 14.74 C ATOM 1097 CZ2 TRP A 109 15.018 12.783 30.974 1.00 16.94 C ATOM 1098 CZ3 TRP A 109 17.434 13.082 30.979 1.00 14.74 C ATOM 1099 CH2 TRP A 109 16.153 13.510 31.376 1.00 16.52 C ATOM 1100 H TRP A 109 19.059 9.040 29.991 1.00 0.00 H ATOM 1101 HE1 TRP A 109 13.297 10.769 29.677 1.00 0.00 H ATOM 1102 N VAL A 110 18.330 5.967 27.419 1.00 18.17 N ATOM 1103 CA VAL A 110 19.121 5.112 26.527 1.00 20.77 C ATOM 1104 C VAL A 110 19.144 5.637 25.080 1.00 18.43 C ATOM 1105 O VAL A 110 20.101 5.358 24.362 1.00 20.67 O ATOM 1106 CB VAL A 110 18.585 3.653 26.554 1.00 28.20 C ATOM 1107 CG1 VAL A 110 18.656 3.049 27.967 1.00 32.48 C ATOM 1108 CG2 VAL A 110 17.175 3.467 25.956 1.00 32.96 C ATOM 1109 H VAL A 110 17.446 5.601 27.743 1.00 0.00 H ATOM 1110 N ALA A 111 18.130 6.421 24.664 1.00 18.39 N ATOM 1111 CA ALA A 111 18.041 7.027 23.335 1.00 20.08 C ATOM 1112 C ALA A 111 19.120 8.096 23.120 1.00 17.47 C ATOM 1113 O ALA A 111 19.592 8.244 21.997 1.00 19.35 O ATOM 1114 CB ALA A 111 16.661 7.673 23.153 1.00 21.74 C ATOM 1115 H ALA A 111 17.379 6.617 25.311 1.00 0.00 H ATOM 1116 N TRP A 112 19.559 8.786 24.192 1.00 16.39 N ATOM 1117 CA TRP A 112 20.690 9.709 24.155 1.00 14.27 C ATOM 1118 C TRP A 112 22.023 8.959 23.971 1.00 14.94 C ATOM 1119 O TRP A 112 22.895 9.463 23.269 1.00 14.58 O ATOM 1120 CB TRP A 112 20.733 10.550 25.446 1.00 14.56 C ATOM 1121 CG TRP A 112 21.811 11.595 25.463 1.00 15.83 C ATOM 1122 CD1 TRP A 112 21.694 12.854 24.983 1.00 15.71 C ATOM 1123 CD2 TRP A 112 23.191 11.468 25.926 1.00 15.54 C ATOM 1124 NE1 TRP A 112 22.912 13.494 25.070 1.00 15.81 N ATOM 1125 CE2 TRP A 112 23.877 12.685 25.632 1.00 16.34 C ATOM 1126 CE3 TRP A 112 23.942 10.441 26.546 1.00 16.24 C ATOM 1127 CZ2 TRP A 112 25.241 12.868 25.919 1.00 19.60 C ATOM 1128 CZ3 TRP A 112 25.307 10.619 26.850 1.00 19.22 C ATOM 1129 CH2 TRP A 112 25.958 11.827 26.534 1.00 21.44 C ATOM 1130 H TRP A 112 19.131 8.605 25.089 1.00 0.00 H ATOM 1131 HE1 TRP A 112 23.067 14.432 24.725 1.00 0.00 H ATOM 1132 N ARG A 113 22.182 7.752 24.542 1.00 15.14 N ATOM 1133 CA ARG A 113 23.387 6.935 24.363 1.00 16.43 C ATOM 1134 C ARG A 113 23.515 6.426 22.916 1.00 17.09 C ATOM 1135 O ARG A 113 24.624 6.357 22.390 1.00 18.84 O ATOM 1136 CB ARG A 113 23.364 5.703 25.286 1.00 19.05 C ATOM 1137 CG ARG A 113 23.190 5.990 26.783 1.00 21.06 C ATOM 1138 CD ARG A 113 23.337 4.692 27.592 1.00 31.33 C ATOM 1139 NE ARG A 113 22.597 4.736 28.857 1.00 32.96 N ATOM 1140 CZ ARG A 113 22.248 3.670 29.597 1.00 39.44 C ATOM 1141 NH1 ARG A 113 22.564 2.422 29.227 1.00 48.10 N ATOM 1142 NH2 ARG A 113 21.568 3.859 30.733 1.00 49.31 N1+ ATOM 1143 H ARG A 113 21.424 7.367 25.088 1.00 0.00 H ATOM 1144 HE ARG A 113 22.334 5.652 29.202 1.00 0.00 H ATOM 1145 HH12 ARG A 113 22.295 1.633 29.796 1.00 0.00 H ATOM 1146 HH11 ARG A 113 23.079 2.263 28.373 1.00 0.00 H ATOM 1147 HH22 ARG A 113 21.305 3.083 31.322 1.00 0.00 H ATOM 1148 HH21 ARG A 113 21.339 4.802 31.028 1.00 0.00 H ATOM 1149 N ASN A 114 22.375 6.092 22.287 1.00 15.91 N ATOM 1150 CA ASN A 114 22.293 5.523 20.945 1.00 17.99 C ATOM 1151 C ASN A 114 22.429 6.604 19.858 1.00 15.89 C ATOM 1152 O ASN A 114 23.071 6.343 18.842 1.00 20.21 O ATOM 1153 CB ASN A 114 20.912 4.841 20.749 1.00 22.77 C ATOM 1154 CG ASN A 114 20.625 3.656 21.680 1.00 26.98 C ATOM 1155 OD1 ASN A 114 21.518 3.113 22.326 1.00 28.93 O ATOM 1156 ND2 ASN A 114 19.352 3.262 21.771 1.00 33.78 N ATOM 1157 H ASN A 114 21.511 6.175 22.806 1.00 0.00 H ATOM 1158 HD22 ASN A 114 19.115 2.494 22.382 1.00 0.00 H ATOM 1159 HD21 ASN A 114 18.634 3.730 21.238 1.00 0.00 H ATOM 1160 N ARG A 115 21.813 7.785 20.049 1.00 16.64 N ATOM 1161 CA ARG A 115 21.603 8.791 19.003 1.00 17.38 C ATOM 1162 C ARG A 115 22.409 10.087 19.184 1.00 17.46 C ATOM 1163 O ARG A 115 22.424 10.886 18.248 1.00 20.36 O ATOM 1164 CB ARG A 115 20.110 9.192 18.986 1.00 18.38 C ATOM 1165 CG ARG A 115 19.120 8.051 18.697 1.00 24.94 C ATOM 1166 CD ARG A 115 19.132 7.625 17.226 1.00 30.28 C ATOM 1167 NE ARG A 115 18.091 6.628 16.952 1.00 32.22 N ATOM 1168 CZ ARG A 115 17.659 6.271 15.731 1.00 32.89 C ATOM 1169 NH1 ARG A 115 18.152 6.844 14.623 1.00 35.05 N ATOM 1170 NH2 ARG A 115 16.721 5.323 15.618 1.00 36.35 N1+ ATOM 1171 H ARG A 115 21.313 7.924 20.918 1.00 0.00 H ATOM 1172 HE ARG A 115 17.701 6.160 17.758 1.00 0.00 H ATOM 1173 HH12 ARG A 115 17.823 6.568 13.709 1.00 0.00 H ATOM 1174 HH11 ARG A 115 18.850 7.569 14.700 1.00 0.00 H ATOM 1175 HH22 ARG A 115 16.385 5.040 14.708 1.00 0.00 H ATOM 1176 HH21 ARG A 115 16.336 4.883 16.441 1.00 0.00 H ATOM 1177 N CYS A 116 23.024 10.337 20.355 1.00 15.08 N ATOM 1178 CA CYS A 116 23.573 11.652 20.722 1.00 14.67 C ATOM 1179 C CYS A 116 24.998 11.588 21.279 1.00 16.40 C ATOM 1180 O CYS A 116 25.790 12.490 21.006 1.00 18.54 O ATOM 1181 CB CYS A 116 22.628 12.374 21.703 1.00 14.17 C ATOM 1182 SG CYS A 116 20.892 12.480 21.199 1.00 14.27 S ATOM 1183 H CYS A 116 22.967 9.641 21.085 1.00 0.00 H ATOM 1184 N GLN A 117 25.326 10.542 22.057 1.00 16.23 N ATOM 1185 CA GLN A 117 26.612 10.385 22.734 1.00 18.20 C ATOM 1186 C GLN A 117 27.709 10.055 21.716 1.00 20.42 C ATOM 1187 O GLN A 117 27.559 9.131 20.916 1.00 20.59 O ATOM 1188 CB GLN A 117 26.510 9.242 23.764 1.00 19.87 C ATOM 1189 CG GLN A 117 27.732 9.178 24.710 1.00 23.21 C ATOM 1190 CD GLN A 117 27.716 8.047 25.744 1.00 24.24 C ATOM 1191 OE1 GLN A 117 28.505 8.075 26.685 1.00 33.47 O ATOM 1192 NE2 GLN A 117 26.826 7.062 25.606 1.00 37.16 N ATOM 1193 H GLN A 117 24.616 9.850 22.253 1.00 0.00 H ATOM 1194 HE22 GLN A 117 26.810 6.307 26.275 1.00 0.00 H ATOM 1195 HE21 GLN A 117 26.204 7.054 24.810 1.00 0.00 H ATOM 1196 N ASN A 118 28.799 10.838 21.754 1.00 23.71 N ATOM 1197 CA ASN A 118 29.998 10.717 20.915 1.00 28.55 C ATOM 1198 C ASN A 118 29.756 11.143 19.452 1.00 27.64 C ATOM 1199 O ASN A 118 30.562 10.822 18.579 1.00 33.21 O ATOM 1200 CB ASN A 118 30.707 9.341 21.049 1.00 34.02 C ATOM 1201 CG ASN A 118 31.107 8.988 22.486 1.00 36.99 C ATOM 1202 OD1 ASN A 118 31.716 9.796 23.184 1.00 41.09 O ATOM 1203 ND2 ASN A 118 30.734 7.793 22.948 1.00 45.69 N ATOM 1204 H ASN A 118 28.812 11.580 22.439 1.00 0.00 H ATOM 1205 HD22 ASN A 118 30.972 7.528 23.893 1.00 0.00 H ATOM 1206 HD21 ASN A 118 30.223 7.157 22.353 1.00 0.00 H ATOM 1207 N ARG A 119 28.647 11.854 19.190 1.00 26.95 N ATOM 1208 CA ARG A 119 28.271 12.405 17.892 1.00 29.41 C ATOM 1209 C ARG A 119 28.339 13.934 17.931 1.00 27.46 C ATOM 1210 O ARG A 119 28.268 14.551 18.996 1.00 28.03 O ATOM 1211 CB ARG A 119 26.818 12.009 17.561 1.00 27.29 C ATOM 1212 CG ARG A 119 26.577 10.495 17.472 1.00 29.07 C ATOM 1213 CD ARG A 119 25.329 10.191 16.636 1.00 33.27 C ATOM 1214 NE ARG A 119 24.863 8.809 16.821 1.00 34.40 N ATOM 1215 CZ ARG A 119 24.467 7.968 15.849 1.00 33.71 C ATOM 1216 NH1 ARG A 119 24.506 8.314 14.555 1.00 39.46 N ATOM 1217 NH2 ARG A 119 24.017 6.752 16.178 1.00 32.31 N1+ ATOM 1218 H ARG A 119 28.038 12.076 19.965 1.00 0.00 H ATOM 1219 HE ARG A 119 24.797 8.495 17.780 1.00 0.00 H ATOM 1220 HH12 ARG A 119 24.210 7.669 13.838 1.00 0.00 H ATOM 1221 HH11 ARG A 119 24.842 9.228 14.290 1.00 0.00 H ATOM 1222 HH22 ARG A 119 23.735 6.096 15.465 1.00 0.00 H ATOM 1223 HH21 ARG A 119 23.924 6.489 17.154 1.00 0.00 H ATOM 1224 N ASP A 120 28.402 14.536 16.734 1.00 30.41 N ATOM 1225 CA ASP A 120 28.219 15.965 16.510 1.00 27.35 C ATOM 1226 C ASP A 120 26.710 16.272 16.595 1.00 25.50 C ATOM 1227 O ASP A 120 25.926 15.774 15.786 1.00 30.21 O ATOM 1228 CB ASP A 120 28.797 16.303 15.111 1.00 31.42 C ATOM 1229 CG ASP A 120 28.834 17.795 14.754 1.00 38.14 C ATOM 1230 OD1 ASP A 120 28.430 18.619 15.602 1.00 41.12 O ATOM 1231 OD2 ASP A 120 29.307 18.095 13.636 1.00 34.42 O1- ATOM 1232 H ASP A 120 28.453 13.953 15.911 1.00 0.00 H ATOM 1233 N VAL A 121 26.323 17.076 17.598 1.00 22.52 N ATOM 1234 CA VAL A 121 24.941 17.432 17.933 1.00 21.13 C ATOM 1235 C VAL A 121 24.664 18.939 17.754 1.00 22.32 C ATOM 1236 O VAL A 121 23.569 19.393 18.079 1.00 18.74 O ATOM 1237 CB VAL A 121 24.573 16.913 19.356 1.00 22.58 C ATOM 1238 CG1 VAL A 121 24.535 15.376 19.425 1.00 30.69 C ATOM 1239 CG2 VAL A 121 25.471 17.477 20.473 1.00 25.84 C ATOM 1240 H VAL A 121 27.043 17.430 18.212 1.00 0.00 H ATOM 1241 N ARG A 122 25.614 19.717 17.201 1.00 27.46 N ATOM 1242 CA ARG A 122 25.458 21.136 16.840 1.00 27.65 C ATOM 1243 C ARG A 122 24.281 21.427 15.891 1.00 24.97 C ATOM 1244 O ARG A 122 23.700 22.511 15.967 1.00 25.46 O ATOM 1245 CB AARG A 122 26.810 21.673 16.305 0.50 29.85 C ATOM 1246 CB BARG A 122 26.848 21.527 16.242 0.50 28.87 C ATOM 1247 CG AARG A 122 26.774 22.776 15.218 0.50 34.26 C ATOM 1248 CG BARG A 122 28.061 21.210 17.122 0.50 37.32 C ATOM 1249 CD AARG A 122 28.152 23.363 14.888 0.50 33.83 C ATOM 1250 CD BARG A 122 27.907 22.022 18.426 0.50 40.48 C ATOM 1251 NE AARG A 122 29.113 22.305 14.546 0.50 37.37 N ATOM 1252 NE BARG A 122 26.936 23.095 18.208 0.50 40.95 N ATOM 1253 CZ AARG A 122 29.992 21.741 15.393 0.50 37.41 C ATOM 1254 CZ BARG A 122 26.457 23.895 19.152 0.50 41.42 C ATOM 1255 NH1AARG A 122 30.125 22.162 16.660 0.50 44.26 N ATOM 1256 NH1BARG A 122 26.123 23.403 20.334 0.50 44.41 N ATOM 1257 NH2AARG A 122 30.746 20.721 14.967 0.50 43.88 N1+ ATOM 1258 NH2BARG A 122 26.311 25.194 18.898 0.50 53.39 N1+ ATOM 1259 H ARG A 122 26.486 19.276 16.937 1.00 0.00 H ATOM 1260 HE AARG A 122 29.042 21.928 13.612 0.50 0.00 H ATOM 1261 HE BARG A 122 26.631 23.204 17.251 0.50 0.00 H ATOM 1262 HH12AARG A 122 30.783 21.717 17.283 0.50 0.00 H ATOM 1263 HH12BARG A 122 25.759 24.014 21.051 0.50 0.00 H ATOM 1264 HH11AARG A 122 29.561 22.928 16.996 0.50 0.00 H ATOM 1265 HH11BARG A 122 26.232 22.416 20.519 0.50 0.00 H ATOM 1266 HH22AARG A 122 31.397 20.269 15.591 0.50 0.00 H ATOM 1267 HH22BARG A 122 25.947 25.810 19.611 0.50 0.00 H ATOM 1268 HH21AARG A 122 30.581 20.308 14.059 0.50 0.00 H ATOM 1269 HH21BARG A 122 26.564 25.563 17.993 0.50 0.00 H ATOM 1270 N GLN A 123 23.930 20.464 15.020 1.00 26.01 N ATOM 1271 CA GLN A 123 22.851 20.540 14.035 1.00 28.19 C ATOM 1272 C GLN A 123 21.466 20.899 14.610 1.00 24.96 C ATOM 1273 O GLN A 123 20.660 21.515 13.913 1.00 26.43 O ATOM 1274 CB GLN A 123 22.788 19.239 13.209 1.00 33.36 C ATOM 1275 CG GLN A 123 22.477 17.957 14.021 1.00 45.52 C ATOM 1276 CD GLN A 123 22.225 16.701 13.178 1.00 48.33 C ATOM 1277 OE1 GLN A 123 22.329 15.594 13.698 1.00 50.12 O ATOM 1278 NE2 GLN A 123 21.914 16.838 11.886 1.00 61.45 N ATOM 1279 H GLN A 123 24.469 19.610 15.036 1.00 0.00 H ATOM 1280 HE22 GLN A 123 21.760 16.015 11.323 1.00 0.00 H ATOM 1281 HE21 GLN A 123 21.846 17.757 11.474 1.00 0.00 H ATOM 1282 N TYR A 124 21.194 20.524 15.871 1.00 21.23 N ATOM 1283 CA TYR A 124 19.892 20.681 16.513 1.00 20.57 C ATOM 1284 C TYR A 124 19.659 22.099 17.079 1.00 17.27 C ATOM 1285 O TYR A 124 18.516 22.419 17.402 1.00 19.70 O ATOM 1286 CB TYR A 124 19.780 19.657 17.661 1.00 20.32 C ATOM 1287 CG TYR A 124 19.869 18.205 17.222 1.00 17.15 C ATOM 1288 CD1 TYR A 124 18.837 17.627 16.452 1.00 23.75 C ATOM 1289 CD2 TYR A 124 20.992 17.428 17.565 1.00 19.77 C ATOM 1290 CE1 TYR A 124 18.946 16.295 16.008 1.00 24.75 C ATOM 1291 CE2 TYR A 124 21.118 16.108 17.096 1.00 21.05 C ATOM 1292 CZ TYR A 124 20.093 15.539 16.319 1.00 20.92 C ATOM 1293 OH TYR A 124 20.219 14.258 15.867 1.00 25.52 O ATOM 1294 H TYR A 124 21.912 20.039 16.392 1.00 0.00 H ATOM 1295 HH TYR A 124 21.088 13.912 16.008 1.00 0.00 H ATOM 1296 N VAL A 125 20.696 22.955 17.146 1.00 19.87 N ATOM 1297 CA VAL A 125 20.644 24.327 17.673 1.00 19.04 C ATOM 1298 C VAL A 125 21.133 25.394 16.677 1.00 21.10 C ATOM 1299 O VAL A 125 21.022 26.581 16.988 1.00 21.37 O ATOM 1300 CB VAL A 125 21.380 24.430 19.037 1.00 21.60 C ATOM 1301 CG1 VAL A 125 20.612 23.727 20.164 1.00 23.75 C ATOM 1302 CG2 VAL A 125 22.845 23.957 18.978 1.00 24.99 C ATOM 1303 H VAL A 125 21.602 22.620 16.847 1.00 0.00 H ATOM 1304 N GLN A 126 21.660 25.012 15.498 1.00 23.38 N ATOM 1305 CA GLN A 126 22.196 25.952 14.508 1.00 29.06 C ATOM 1306 C GLN A 126 21.099 26.850 13.904 1.00 27.13 C ATOM 1307 O GLN A 126 20.026 26.378 13.525 1.00 27.14 O ATOM 1308 CB AGLN A 126 22.989 25.197 13.418 0.50 31.28 C ATOM 1309 CB BGLN A 126 23.035 25.188 13.469 0.50 31.69 C ATOM 1310 CG AGLN A 126 22.200 24.232 12.496 0.50 33.72 C ATOM 1311 CG BGLN A 126 23.789 23.971 13.941 0.50 37.39 C ATOM 1312 CD AGLN A 126 22.526 24.355 11.003 0.50 47.22 C ATOM 1313 CD BGLN A 126 25.043 24.263 14.723 0.50 38.76 C ATOM 1314 OE1AGLN A 126 22.738 23.345 10.337 0.50 45.69 O ATOM 1315 OE1BGLN A 126 25.125 25.190 15.519 0.50 38.51 O ATOM 1316 NE2AGLN A 126 22.581 25.576 10.466 0.50 49.55 N ATOM 1317 NE2BGLN A 126 26.059 23.415 14.517 0.50 43.64 N ATOM 1318 H GLN A 126 21.737 24.025 15.296 1.00 0.00 H ATOM 1319 HE22AGLN A 126 22.801 25.675 9.485 0.50 0.00 H ATOM 1320 HE22BGLN A 126 26.933 23.546 15.006 0.50 0.00 H ATOM 1321 HE21AGLN A 126 22.401 26.391 11.033 0.50 0.00 H ATOM 1322 HE21BGLN A 126 25.951 22.645 13.873 0.50 0.00 H ATOM 1323 N GLY A 127 21.379 28.160 13.847 1.00 25.06 N ATOM 1324 CA GLY A 127 20.493 29.193 13.312 1.00 25.33 C ATOM 1325 C GLY A 127 19.320 29.600 14.218 1.00 23.89 C ATOM 1326 O GLY A 127 18.467 30.362 13.766 1.00 25.63 O ATOM 1327 H GLY A 127 22.276 28.468 14.194 1.00 0.00 H ATOM 1328 N CYS A 128 19.252 29.101 15.466 1.00 20.90 N ATOM 1329 CA CYS A 128 18.122 29.323 16.375 1.00 20.37 C ATOM 1330 C CYS A 128 18.290 30.542 17.300 1.00 21.95 C ATOM 1331 O CYS A 128 17.337 30.893 17.999 1.00 24.45 O ATOM 1332 CB CYS A 128 17.939 28.070 17.252 1.00 18.95 C ATOM 1333 SG CYS A 128 17.564 26.535 16.361 1.00 17.57 S ATOM 1334 H CYS A 128 19.979 28.470 15.773 1.00 0.00 H ATOM 1335 N GLY A 129 19.461 31.202 17.293 1.00 27.29 N ATOM 1336 CA GLY A 129 19.742 32.406 18.079 1.00 29.29 C ATOM 1337 C GLY A 129 20.014 32.139 19.566 1.00 28.62 C ATOM 1338 O GLY A 129 19.751 33.009 20.395 1.00 38.50 O ATOM 1339 H GLY A 129 20.193 30.867 16.683 1.00 0.00 H ATOM 1340 N VAL A 130 20.506 30.934 19.892 1.00 24.90 N ATOM 1341 CA VAL A 130 20.804 30.451 21.241 1.00 25.27 C ATOM 1342 C VAL A 130 22.320 30.274 21.439 1.00 33.46 C ATOM 1343 O VAL A 130 22.703 30.034 22.603 1.00 31.44 O ATOM 1344 CB VAL A 130 20.040 29.123 21.485 1.00 25.35 C ATOM 1345 CG1 VAL A 130 18.518 29.336 21.470 1.00 27.59 C ATOM 1346 CG2 VAL A 130 20.445 27.985 20.525 1.00 26.59 C ATOM 1347 OXT VAL A 130 23.071 30.368 20.443 1.00 47.97 O1- ATOM 1348 H VAL A 130 20.722 30.298 19.139 1.00 0.00 H CONECT 68 1333 CONECT 321 1182 CONECT 699 832 CONECT 796 950 CONECT 832 699 CONECT 950 796 CONECT 1182 321 CONECT 1333 68 ENDMDL END If you find results from this site helpful for your research, please cite one of our papers:
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