ATOM 22 N ASP A 2 8.306 -0.078 -10.112 1.00 -0.46 N ATOM 23 CA ASP A 2 7.468 0.680 -11.045 1.00 0.04 C ATOM 24 C ASP A 2 6.360 1.479 -10.383 1.00 0.62 C ATOM 25 O ASP A 2 5.253 0.974 -10.264 1.00 -0.50 O ATOM 26 CB ASP A 2 6.908 -0.382 -12.028 1.00 -0.40 C ATOM 27 CG ASP A 2 7.981 -1.191 -12.707 1.00 0.71 C ATOM 28 OD1 ASP A 2 9.190 -0.898 -12.502 1.00 -0.72 O ATOM 29 OD2 ASP A 2 7.609 -2.138 -13.450 1.00 -0.72 O ATOM 30 H ASP A 2 9.256 -0.248 -10.387 1.00 0.25 H ATOM 31 HA ASP A 2 8.090 1.377 -11.632 1.00 0.05 H ATOM 32 HB2 ASP A 2 6.291 -1.090 -11.462 1.00 0.07 H ATOM 33 HB3 ASP A 2 6.285 0.099 -12.797 1.00 0.07 H ATOM 34 N CYS A 3 6.622 2.737 -9.950 1.00 -0.46 N ATOM 35 CA CYS A 3 5.574 3.535 -9.307 1.00 0.04 C ATOM 36 C CYS A 3 4.453 3.782 -10.300 1.00 0.62 C ATOM 37 O CYS A 3 4.365 4.862 -10.859 1.00 -0.50 O ATOM 38 CB CYS A 3 6.154 4.866 -8.754 1.00 -0.10 C ATOM 39 SG CYS A 3 4.895 6.025 -8.111 1.00 0.82 S ATOM 40 H CYS A 3 7.529 3.138 -10.090 1.00 0.25 H ATOM 41 HA CYS A 3 5.192 2.968 -8.441 1.00 0.05 H ATOM 42 HB2 CYS A 3 6.880 4.656 -7.954 1.00 0.05 H ATOM 43 HB3 CYS A 3 6.680 5.403 -9.558 1.00 0.05 H ATOM 44 N GLY A 4 3.581 2.774 -10.509 1.00 -0.46 N ATOM 45 CA GLY A 4 2.553 2.849 -11.546 1.00 0.04 C ATOM 46 C GLY A 4 1.869 1.503 -11.660 1.00 0.62 C ATOM 47 O GLY A 4 0.659 1.423 -11.528 1.00 -0.50 O ATOM 48 H GLY A 4 3.676 1.929 -9.978 1.00 0.25 H ATOM 49 HA2 GLY A 4 1.828 3.638 -11.293 1.00 0.03 H ATOM 50 HA3 GLY A 4 3.012 3.090 -12.517 1.00 0.03 H ATOM 51 N HIS A 5 2.647 0.416 -11.870 1.00 -0.46 N ATOM 52 CA HIS A 5 2.084 -0.931 -11.732 1.00 0.04 C ATOM 53 C HIS A 5 1.624 -1.116 -10.300 1.00 0.62 C ATOM 54 O HIS A 5 0.507 -1.553 -10.079 1.00 -0.50 O ATOM 55 CB HIS A 5 3.141 -2.005 -12.097 1.00 -0.10 C ATOM 56 CG HIS A 5 2.716 -3.401 -11.733 1.00 0.06 C ATOM 57 ND1 HIS A 5 1.701 -4.055 -12.216 1.00 -0.06 N ATOM 58 CD2 HIS A 5 3.311 -4.214 -10.857 1.00 -0.04 C ATOM 59 CE1 HIS A 5 1.614 -5.249 -11.707 1.00 0.11 C ATOM 60 NE2 HIS A 5 2.615 -5.314 -10.878 1.00 -0.06 N ATOM 61 H HIS A 5 3.631 0.527 -12.034 1.00 0.25 H ATOM 62 HA HIS A 5 1.223 -1.040 -12.412 1.00 0.05 H ATOM 63 HB2 HIS A 5 3.373 -1.958 -13.173 1.00 0.09 H ATOM 64 HB3 HIS A 5 4.065 -1.794 -11.543 1.00 0.09 H ATOM 65 HD1 HIS A 5 1.050 -3.678 -12.921 1.00 0.31 H ATOM 66 HD2 HIS A 5 4.194 -3.990 -10.258 1.00 0.15 H ATOM 67 HE1 HIS A 5 0.875 -6.022 -11.925 1.00 0.16 H ATOM 68 HE2 HIS A 5 2.839 -6.143 -10.302 1.00 0.31 H ATOM 69 N VAL A 6 2.469 -0.769 -9.303 1.00 -0.46 N ATOM 70 CA VAL A 6 2.008 -0.781 -7.910 1.00 0.04 C ATOM 71 C VAL A 6 0.684 -0.052 -7.819 1.00 0.62 C ATOM 72 O VAL A 6 -0.288 -0.638 -7.368 1.00 -0.50 O ATOM 73 CB VAL A 6 3.077 -0.155 -6.959 1.00 -0.01 C ATOM 74 CG1 VAL A 6 2.485 0.329 -5.604 1.00 -0.09 C ATOM 75 CG2 VAL A 6 4.219 -1.180 -6.711 1.00 -0.09 C ATOM 76 H VAL A 6 3.405 -0.480 -9.513 1.00 0.25 H ATOM 77 HA VAL A 6 1.824 -1.825 -7.608 1.00 0.05 H ATOM 78 HB VAL A 6 3.505 0.737 -7.450 1.00 0.02 H ATOM 79 HG11 VAL A 6 1.973 -0.497 -5.095 1.00 0.03 H ATOM 80 HG12 VAL A 6 3.285 0.698 -4.943 1.00 0.03 H ATOM 81 HG13 VAL A 6 1.766 1.150 -5.747 1.00 0.03 H ATOM 82 HG21 VAL A 6 4.534 -1.665 -7.647 1.00 0.03 H ATOM 83 HG22 VAL A 6 5.093 -0.677 -6.278 1.00 0.03 H ATOM 84 HG23 VAL A 6 3.893 -1.962 -6.010 1.00 0.03 H ATOM 85 N ASP A 7 0.620 1.225 -8.258 1.00 -0.46 N ATOM 86 CA ASP A 7 -0.645 1.953 -8.180 1.00 0.04 C ATOM 87 C ASP A 7 -1.734 1.139 -8.856 1.00 0.62 C ATOM 88 O ASP A 7 -2.774 0.914 -8.259 1.00 -0.50 O ATOM 89 CB ASP A 7 -0.511 3.374 -8.798 1.00 -0.40 C ATOM 90 CG ASP A 7 -1.765 4.201 -8.695 1.00 0.71 C ATOM 91 OD1 ASP A 7 -2.646 3.886 -7.854 1.00 -0.72 O ATOM 92 OD2 ASP A 7 -1.894 5.190 -9.467 1.00 -0.72 O ATOM 93 H ASP A 7 1.427 1.679 -8.635 1.00 0.25 H ATOM 94 HA ASP A 7 -0.886 2.073 -7.111 1.00 0.05 H ATOM 95 HB2 ASP A 7 0.290 3.927 -8.283 1.00 0.07 H ATOM 96 HB3 ASP A 7 -0.246 3.285 -9.861 1.00 0.07 H ATOM 97 N SER A 8 -1.521 0.648 -10.096 1.00 -0.46 N ATOM 98 CA SER A 8 -2.562 -0.133 -10.768 1.00 0.04 C ATOM 99 C SER A 8 -3.202 -1.144 -9.839 1.00 0.62 C ATOM 100 O SER A 8 -4.420 -1.232 -9.797 1.00 -0.50 O ATOM 101 CB SER A 8 -2.041 -0.886 -12.018 1.00 0.02 C ATOM 102 OG SER A 8 -3.158 -1.527 -12.659 1.00 -0.55 O ATOM 103 H SER A 8 -0.663 0.832 -10.574 1.00 0.25 H ATOM 104 HA SER A 8 -3.324 0.574 -11.128 1.00 0.05 H ATOM 105 HB2 SER A 8 -1.563 -0.170 -12.709 1.00 0.12 H ATOM 106 HB3 SER A 8 -1.300 -1.646 -11.725 1.00 0.12 H ATOM 107 HG SER A 8 -2.915 -2.008 -13.445 1.00 0.31 H ATOM 108 N LEU A 9 -2.395 -1.915 -9.073 1.00 -0.46 N ATOM 109 CA LEU A 9 -2.973 -2.955 -8.219 1.00 0.04 C ATOM 110 C LEU A 9 -3.636 -2.419 -6.966 1.00 0.62 C ATOM 111 O LEU A 9 -4.405 -3.165 -6.378 1.00 -0.50 O ATOM 112 CB LEU A 9 -1.936 -4.040 -7.815 1.00 -0.06 C ATOM 113 CG LEU A 9 -1.143 -4.673 -9.000 1.00 -0.01 C ATOM 114 CD1 LEU A 9 -0.398 -5.939 -8.493 1.00 -0.11 C ATOM 115 CD2 LEU A 9 -2.053 -5.047 -10.203 1.00 -0.11 C ATOM 116 H LEU A 9 -1.402 -1.773 -9.070 1.00 0.25 H ATOM 117 HA LEU A 9 -3.777 -3.463 -8.779 1.00 0.05 H ATOM 118 HB2 LEU A 9 -1.214 -3.590 -7.117 1.00 0.03 H ATOM 119 HB3 LEU A 9 -2.474 -4.836 -7.275 1.00 0.03 H ATOM 120 HG LEU A 9 -0.383 -3.958 -9.358 1.00 0.03 H ATOM 121 HD11 LEU A 9 0.175 -5.713 -7.581 1.00 0.03 H ATOM 122 HD12 LEU A 9 -1.127 -6.730 -8.262 1.00 0.03 H ATOM 123 HD13 LEU A 9 0.296 -6.322 -9.257 1.00 0.03 H ATOM 124 HD21 LEU A 9 -2.459 -4.145 -10.687 1.00 0.03 H ATOM 125 HD22 LEU A 9 -1.478 -5.599 -10.961 1.00 0.03 H ATOM 126 HD23 LEU A 9 -2.887 -5.682 -9.868 1.00 0.03 H ATOM 127 N VAL A 10 -3.393 -1.167 -6.512 1.00 -0.46 N ATOM 128 CA VAL A 10 -4.130 -0.672 -5.344 1.00 0.04 C ATOM 129 C VAL A 10 -5.538 -0.285 -5.735 1.00 0.62 C ATOM 130 O VAL A 10 -6.384 -0.301 -4.859 1.00 -0.50 O ATOM 131 CB VAL A 10 -3.489 0.517 -4.564 1.00 -0.01 C ATOM 132 CG1 VAL A 10 -1.981 0.255 -4.306 1.00 -0.09 C ATOM 133 CG2 VAL A 10 -3.724 1.901 -5.233 1.00 -0.09 C ATOM 134 H VAL A 10 -2.776 -0.550 -7.002 1.00 0.25 H ATOM 135 HA VAL A 10 -4.196 -1.496 -4.613 1.00 0.05 H ATOM 136 HB VAL A 10 -3.989 0.581 -3.579 1.00 0.02 H ATOM 137 HG11 VAL A 10 -1.414 0.159 -5.239 1.00 0.03 H ATOM 138 HG12 VAL A 10 -1.543 1.092 -3.757 1.00 0.03 H ATOM 139 HG13 VAL A 10 -1.846 -0.659 -3.710 1.00 0.03 H ATOM 140 HG21 VAL A 10 -3.208 1.956 -6.193 1.00 0.03 H ATOM 141 HG22 VAL A 10 -4.791 2.112 -5.394 1.00 0.03 H ATOM 142 HG23 VAL A 10 -3.336 2.710 -4.602 1.00 0.03 H ATOM 143 N ARG A 11 -5.838 0.080 -7.003 1.00 -0.46 N ATOM 144 CA ARG A 11 -7.183 0.570 -7.328 1.00 0.04 C ATOM 145 C ARG A 11 -8.277 -0.323 -6.759 1.00 0.62 C ATOM 146 O ARG A 11 -9.119 0.218 -6.057 1.00 -0.50 O ATOM 147 CB ARG A 11 -7.414 0.902 -8.833 1.00 -0.08 C ATOM 148 CG ARG A 11 -6.858 2.296 -9.269 1.00 -0.10 C ATOM 149 CD ARG A 11 -5.318 2.397 -9.110 1.00 -0.23 C ATOM 150 NE ARG A 11 -4.713 3.632 -9.626 1.00 -0.32 N ATOM 151 CZ ARG A 11 -4.434 3.856 -10.893 1.00 0.76 C ATOM 152 NH1 ARG A 11 -4.755 3.033 -11.861 1.00 -0.62 N ATOM 153 NH2 ARG A 11 -3.796 4.955 -11.215 1.00 -0.62 N ATOM 154 H ARG A 11 -5.142 0.039 -7.718 1.00 0.25 H ATOM 155 HA ARG A 11 -7.281 1.533 -6.805 1.00 0.05 H ATOM 156 HB2 ARG A 11 -6.986 0.102 -9.458 1.00 0.06 H ATOM 157 HB3 ARG A 11 -8.501 0.923 -9.017 1.00 0.06 H ATOM 158 HG2 ARG A 11 -7.137 2.468 -10.320 1.00 0.07 H ATOM 159 HG3 ARG A 11 -7.328 3.099 -8.678 1.00 0.07 H ATOM 160 HD2 ARG A 11 -5.096 2.367 -8.030 1.00 0.13 H ATOM 161 HD3 ARG A 11 -4.832 1.520 -9.553 1.00 0.13 H ATOM 162 HE ARG A 11 -4.432 4.339 -8.925 1.00 0.27 H ATOM 163 HH11 ARG A 11 -5.258 2.159 -11.679 1.00 0.36 H ATOM 164 HH12 ARG A 11 -4.512 3.243 -12.838 1.00 0.36 H ATOM 165 HH21 ARG A 11 -3.472 5.614 -10.488 1.00 0.36 H ATOM 166 HH22 ARG A 11 -3.561 5.173 -12.193 1.00 0.36 H ATOM 167 N PRO A 12 -8.345 -1.664 -6.961 1.00 -0.23 N ATOM 168 CA PRO A 12 -9.383 -2.442 -6.286 1.00 0.04 C ATOM 169 C PRO A 12 -9.354 -2.288 -4.775 1.00 0.53 C ATOM 170 O PRO A 12 -10.402 -2.393 -4.156 1.00 -0.50 O ATOM 171 CB PRO A 12 -9.019 -3.871 -6.768 1.00 -0.12 C ATOM 172 CG PRO A 12 -7.534 -3.778 -7.183 1.00 -0.12 C ATOM 173 CD PRO A 12 -7.432 -2.384 -7.837 1.00 -0.01 C ATOM 174 HA PRO A 12 -10.380 -2.147 -6.655 1.00 0.05 H ATOM 175 HB2 PRO A 12 -9.191 -4.645 -6.006 1.00 0.06 H ATOM 176 HB3 PRO A 12 -9.613 -4.120 -7.664 1.00 0.06 H ATOM 177 HG2 PRO A 12 -6.909 -3.813 -6.276 1.00 0.06 H ATOM 178 HG3 PRO A 12 -7.210 -4.579 -7.865 1.00 0.06 H ATOM 179 HD2 PRO A 12 -6.386 -2.057 -7.858 1.00 0.06 H ATOM 180 HD3 PRO A 12 -7.836 -2.395 -8.862 1.00 0.06 H ATOM 181 N CYS A 13 -8.183 -2.030 -4.148 1.00 -0.46 N ATOM 182 CA CYS A 13 -8.146 -1.722 -2.713 1.00 0.04 C ATOM 183 C CYS A 13 -8.558 -0.287 -2.423 1.00 0.62 C ATOM 184 O CYS A 13 -9.089 -0.032 -1.353 1.00 -0.50 O ATOM 185 CB CYS A 13 -6.710 -1.938 -2.160 1.00 -0.10 C ATOM 186 SG CYS A 13 -6.037 -3.548 -2.696 1.00 0.82 S ATOM 187 H CYS A 13 -7.339 -1.949 -4.677 1.00 0.25 H ATOM 188 HA CYS A 13 -8.821 -2.399 -2.168 1.00 0.05 H ATOM 189 HB2 CYS A 13 -6.029 -1.160 -2.534 1.00 0.05 H ATOM 190 HB3 CYS A 13 -6.705 -1.891 -1.060 1.00 0.05 H ATOM 191 N LEU A 14 -8.298 0.664 -3.352 1.00 -0.46 N ATOM 192 CA LEU A 14 -8.472 2.088 -3.062 1.00 0.04 C ATOM 193 C LEU A 14 -9.809 2.410 -2.425 1.00 0.62 C ATOM 194 O LEU A 14 -9.854 3.231 -1.524 1.00 -0.50 O ATOM 195 CB LEU A 14 -8.272 2.960 -4.334 1.00 -0.06 C ATOM 196 CG LEU A 14 -8.375 4.501 -4.111 1.00 -0.01 C ATOM 197 CD1 LEU A 14 -7.307 5.035 -3.111 1.00 -0.11 C ATOM 198 CD2 LEU A 14 -8.214 5.233 -5.473 1.00 -0.11 C ATOM 199 H LEU A 14 -7.880 0.418 -4.224 1.00 0.25 H ATOM 200 HA LEU A 14 -7.641 2.329 -2.391 1.00 0.05 H ATOM 201 HB2 LEU A 14 -7.274 2.749 -4.747 1.00 0.03 H ATOM 202 HB3 LEU A 14 -9.029 2.654 -5.074 1.00 0.03 H ATOM 203 HG LEU A 14 -9.380 4.741 -3.725 1.00 0.03 H ATOM 204 HD11 LEU A 14 -6.296 4.749 -3.441 1.00 0.03 H ATOM 205 HD12 LEU A 14 -7.354 6.133 -3.051 1.00 0.03 H ATOM 206 HD13 LEU A 14 -7.467 4.645 -2.096 1.00 0.03 H ATOM 207 HD21 LEU A 14 -8.977 4.891 -6.190 1.00 0.03 H ATOM 208 HD22 LEU A 14 -8.329 6.320 -5.345 1.00 0.03 H ATOM 209 HD23 LEU A 14 -7.219 5.035 -5.901 1.00 0.03 H ATOM 210 N SER A 15 -10.924 1.791 -2.869 1.00 -0.46 N ATOM 211 CA SER A 15 -12.228 2.145 -2.296 1.00 0.04 C ATOM 212 C SER A 15 -12.234 1.983 -0.787 1.00 0.62 C ATOM 213 O SER A 15 -12.619 2.900 -0.078 1.00 -0.50 O ATOM 214 CB SER A 15 -13.381 1.293 -2.893 1.00 0.02 C ATOM 215 OG SER A 15 -13.640 1.631 -4.267 1.00 -0.55 O ATOM 216 H SER A 15 -10.866 1.111 -3.600 1.00 0.25 H ATOM 217 HA SER A 15 -12.437 3.201 -2.537 1.00 0.05 H ATOM 218 HB2 SER A 15 -13.165 0.216 -2.792 1.00 0.12 H ATOM 219 HB3 SER A 15 -14.313 1.507 -2.346 1.00 0.12 H ATOM 220 HG SER A 15 -12.905 1.465 -4.849 1.00 0.31 H ATOM 221 N TYR A 16 -11.809 0.811 -0.268 1.00 -0.46 N ATOM 222 CA TYR A 16 -11.809 0.614 1.185 1.00 0.04 C ATOM 223 C TYR A 16 -10.798 1.553 1.807 1.00 0.62 C ATOM 224 O TYR A 16 -11.116 2.200 2.791 1.00 -0.50 O ATOM 225 CB TYR A 16 -11.489 -0.866 1.510 1.00 -0.10 C ATOM 226 CG TYR A 16 -11.692 -1.272 2.977 1.00 -0.03 C ATOM 227 CD1 TYR A 16 -10.693 -1.074 3.936 1.00 0.00 C ATOM 228 CD2 TYR A 16 -12.880 -1.896 3.369 1.00 0.00 C ATOM 229 CE1 TYR A 16 -10.763 -1.754 5.156 1.00 -0.26 C ATOM 230 CE2 TYR A 16 -13.018 -2.439 4.649 1.00 -0.26 C ATOM 231 CZ TYR A 16 -11.940 -2.399 5.538 1.00 0.46 C ATOM 232 OH TYR A 16 -12.022 -2.997 6.797 1.00 -0.53 O ATOM 233 H TYR A 16 -11.460 0.089 -0.870 1.00 0.25 H ATOM 234 HA TYR A 16 -12.819 0.828 1.572 1.00 0.05 H ATOM 235 HB2 TYR A 16 -12.156 -1.490 0.897 1.00 0.04 H ATOM 236 HB3 TYR A 16 -10.456 -1.092 1.214 1.00 0.04 H ATOM 237 HD1 TYR A 16 -9.865 -0.405 3.742 1.00 0.06 H ATOM 238 HD2 TYR A 16 -13.703 -1.972 2.673 1.00 0.06 H ATOM 239 HE1 TYR A 16 -9.903 -1.782 5.814 1.00 0.10 H ATOM 240 HE2 TYR A 16 -13.958 -2.897 4.940 1.00 0.10 H ATOM 241 HH TYR A 16 -12.904 -2.948 7.152 1.00 0.33 H ATOM 242 N VAL A 17 -9.582 1.650 1.221 1.00 -0.46 N ATOM 243 CA VAL A 17 -8.568 2.581 1.737 1.00 0.04 C ATOM 244 C VAL A 17 -9.180 3.954 1.934 1.00 0.62 C ATOM 245 O VAL A 17 -8.989 4.557 2.979 1.00 -0.50 O ATOM 246 CB VAL A 17 -7.360 2.683 0.753 1.00 -0.01 C ATOM 247 CG1 VAL A 17 -6.437 3.908 0.987 1.00 -0.09 C ATOM 248 CG2 VAL A 17 -6.512 1.383 0.710 1.00 -0.09 C ATOM 249 H VAL A 17 -9.381 1.099 0.410 1.00 0.25 H ATOM 250 HA VAL A 17 -8.216 2.208 2.710 1.00 0.05 H ATOM 251 HB VAL A 17 -7.790 2.844 -0.237 1.00 0.02 H ATOM 252 HG11 VAL A 17 -6.998 4.840 0.838 1.00 0.03 H ATOM 253 HG12 VAL A 17 -6.021 3.891 1.999 1.00 0.03 H ATOM 254 HG13 VAL A 17 -5.600 3.913 0.270 1.00 0.03 H ATOM 255 HG21 VAL A 17 -7.113 0.515 0.409 1.00 0.03 H ATOM 256 HG22 VAL A 17 -5.696 1.487 -0.022 1.00 0.03 H ATOM 257 HG23 VAL A 17 -6.077 1.184 1.700 1.00 0.03 H ATOM 258 N GLN A 18 -9.926 4.470 0.930 1.00 -0.46 N ATOM 259 CA GLN A 18 -10.566 5.776 1.088 1.00 0.04 C ATOM 260 C GLN A 18 -11.534 5.717 2.250 1.00 0.62 C ATOM 261 O GLN A 18 -11.435 6.530 3.156 1.00 -0.50 O ATOM 262 CB GLN A 18 -11.343 6.224 -0.184 1.00 -0.10 C ATOM 263 CG GLN A 18 -10.417 6.578 -1.381 1.00 -0.10 C ATOM 264 CD GLN A 18 -9.797 7.954 -1.310 1.00 0.68 C ATOM 265 OE1 GLN A 18 -9.729 8.544 -0.245 1.00 -0.47 O ATOM 266 NE2 GLN A 18 -9.329 8.503 -2.450 1.00 -0.87 N ATOM 267 H GLN A 18 -10.073 3.952 0.086 1.00 0.25 H ATOM 268 HA GLN A 18 -9.795 6.530 1.298 1.00 0.05 H ATOM 269 HB2 GLN A 18 -12.018 5.409 -0.487 1.00 0.04 H ATOM 270 HB3 GLN A 18 -11.968 7.103 0.044 1.00 0.04 H ATOM 271 HG2 GLN A 18 -9.606 5.844 -1.462 1.00 0.06 H ATOM 272 HG3 GLN A 18 -11.019 6.533 -2.303 1.00 0.06 H ATOM 273 HE21 GLN A 18 -9.364 8.015 -3.321 1.00 0.34 H ATOM 274 HE22 GLN A 18 -8.954 9.429 -2.424 1.00 0.34 H ATOM 275 N GLY A 19 -12.484 4.756 2.227 1.00 -0.46 N ATOM 276 CA GLY A 19 -13.520 4.712 3.258 1.00 0.04 C ATOM 277 C GLY A 19 -14.744 4.018 2.702 1.00 0.62 C ATOM 278 O GLY A 19 -15.610 4.688 2.162 1.00 -0.50 O ATOM 279 H GLY A 19 -12.487 4.053 1.509 1.00 0.25 H ATOM 280 HA2 GLY A 19 -13.139 4.195 4.151 1.00 0.03 H ATOM 281 HA3 GLY A 19 -13.815 5.730 3.560 1.00 0.03 H ATOM 282 N GLY A 20 -14.825 2.672 2.789 1.00 -0.46 N ATOM 283 CA GLY A 20 -15.937 1.967 2.154 1.00 0.04 C ATOM 284 C GLY A 20 -15.959 0.499 2.515 1.00 0.62 C ATOM 285 O GLY A 20 -15.074 0.094 3.252 1.00 -0.50 O ATOM 286 H GLY A 20 -14.114 2.134 3.244 1.00 0.25 H ATOM 287 HA2 GLY A 20 -16.890 2.421 2.466 1.00 0.03 H ATOM 288 HA3 GLY A 20 -15.825 2.068 1.064 1.00 0.03 H ATOM 289 N PRO A 21 -16.929 -0.323 2.040 1.00 -0.23 N ATOM 290 CA PRO A 21 -16.945 -1.732 2.414 1.00 0.04 C ATOM 291 C PRO A 21 -15.994 -2.535 1.558 1.00 0.53 C ATOM 292 O PRO A 21 -15.380 -1.979 0.661 1.00 -0.50 O ATOM 293 CB PRO A 21 -18.417 -2.061 2.062 1.00 -0.12 C ATOM 294 CG PRO A 21 -18.679 -1.185 0.815 1.00 -0.12 C ATOM 295 CD PRO A 21 -17.997 0.158 1.173 1.00 -0.01 C ATOM 296 HA PRO A 21 -16.738 -1.894 3.485 1.00 0.05 H ATOM 297 HB2 PRO A 21 -18.599 -3.132 1.882 1.00 0.06 H ATOM 298 HB3 PRO A 21 -19.075 -1.721 2.880 1.00 0.06 H ATOM 299 HG2 PRO A 21 -18.173 -1.640 -0.053 1.00 0.06 H ATOM 300 HG3 PRO A 21 -19.751 -1.074 0.582 1.00 0.06 H ATOM 301 HD2 PRO A 21 -17.644 0.680 0.270 1.00 0.06 H ATOM 302 HD3 PRO A 21 -18.686 0.802 1.743 1.00 0.06 H ATOM 303 N GLY A 22 -15.861 -3.855 1.829 1.00 -0.46 N ATOM 304 CA GLY A 22 -14.958 -4.692 1.041 1.00 0.04 C ATOM 305 C GLY A 22 -13.582 -4.725 1.675 1.00 0.62 C ATOM 306 O GLY A 22 -13.546 -4.957 2.874 1.00 -0.50 O ATOM 307 H GLY A 22 -16.350 -4.275 2.597 1.00 0.25 H ATOM 308 HA2 GLY A 22 -15.325 -5.731 1.045 1.00 0.03 H ATOM 309 HA3 GLY A 22 -14.973 -4.369 -0.009 1.00 0.03 H ATOM 310 N PRO A 23 -12.432 -4.533 0.976 1.00 -0.23 N ATOM 311 CA PRO A 23 -12.420 -4.196 -0.443 1.00 0.04 C ATOM 312 C PRO A 23 -12.832 -5.362 -1.311 1.00 0.53 C ATOM 313 O PRO A 23 -13.079 -6.440 -0.796 1.00 -0.50 O ATOM 314 CB PRO A 23 -10.908 -3.926 -0.644 1.00 -0.12 C ATOM 315 CG PRO A 23 -10.237 -4.848 0.398 1.00 -0.12 C ATOM 316 CD PRO A 23 -11.144 -4.685 1.639 1.00 -0.01 C ATOM 317 HA PRO A 23 -13.006 -3.291 -0.675 1.00 0.05 H ATOM 318 HB2 PRO A 23 -10.584 -4.116 -1.675 1.00 0.06 H ATOM 319 HB3 PRO A 23 -10.662 -2.883 -0.402 1.00 0.06 H ATOM 320 HG2 PRO A 23 -10.291 -5.892 0.046 1.00 0.06 H ATOM 321 HG3 PRO A 23 -9.187 -4.591 0.599 1.00 0.06 H ATOM 322 HD2 PRO A 23 -11.087 -5.561 2.305 1.00 0.06 H ATOM 323 HD3 PRO A 23 -10.896 -3.772 2.200 1.00 0.06 H ATOM 324 N SER A 24 -12.901 -5.149 -2.645 1.00 -0.46 N ATOM 325 CA SER A 24 -13.251 -6.247 -3.548 1.00 0.04 C ATOM 326 C SER A 24 -12.306 -7.421 -3.402 1.00 0.62 C ATOM 327 O SER A 24 -11.179 -7.229 -2.976 1.00 -0.50 O ATOM 328 CB SER A 24 -13.198 -5.814 -5.039 1.00 0.02 C ATOM 329 OG SER A 24 -11.849 -5.522 -5.445 1.00 -0.55 O ATOM 330 H SER A 24 -12.730 -4.237 -3.021 1.00 0.25 H ATOM 331 HA SER A 24 -14.279 -6.564 -3.306 1.00 0.05 H ATOM 332 HB2 SER A 24 -13.554 -6.637 -5.679 1.00 0.12 H ATOM 333 HB3 SER A 24 -13.856 -4.945 -5.212 1.00 0.12 H ATOM 334 HG SER A 24 -11.476 -4.773 -4.990 1.00 0.31 H ATOM 335 N GLY A 25 -12.731 -8.653 -3.769 1.00 -0.46 N ATOM 336 CA GLY A 25 -11.816 -9.791 -3.687 1.00 0.04 C ATOM 337 C GLY A 25 -10.562 -9.538 -4.492 1.00 0.62 C ATOM 338 O GLY A 25 -9.484 -9.883 -4.032 1.00 -0.50 O ATOM 339 H GLY A 25 -13.663 -8.806 -4.106 1.00 0.25 H ATOM 340 HA2 GLY A 25 -11.557 -9.968 -2.631 1.00 0.03 H ATOM 341 HA3 GLY A 25 -12.285 -10.708 -4.080 1.00 0.03 H ATOM 342 N GLN A 26 -10.682 -8.930 -5.696 1.00 -0.46 N ATOM 343 CA GLN A 26 -9.490 -8.625 -6.492 1.00 0.04 C ATOM 344 C GLN A 26 -8.430 -7.977 -5.629 1.00 0.62 C ATOM 345 O GLN A 26 -7.265 -8.321 -5.758 1.00 -0.50 O ATOM 346 CB GLN A 26 -9.830 -7.665 -7.666 1.00 -0.10 C ATOM 347 CG GLN A 26 -8.592 -7.361 -8.555 1.00 -0.10 C ATOM 348 CD GLN A 26 -8.877 -6.343 -9.634 1.00 0.68 C ATOM 349 OE1 GLN A 26 -10.007 -5.908 -9.783 1.00 -0.47 O ATOM 350 NE2 GLN A 26 -7.855 -5.935 -10.412 1.00 -0.87 N ATOM 351 H GLN A 26 -11.584 -8.691 -6.059 1.00 0.25 H ATOM 352 HA GLN A 26 -9.100 -9.571 -6.904 1.00 0.05 H ATOM 353 HB2 GLN A 26 -10.614 -8.118 -8.295 1.00 0.04 H ATOM 354 HB3 GLN A 26 -10.226 -6.724 -7.252 1.00 0.04 H ATOM 355 HG2 GLN A 26 -7.772 -6.963 -7.940 1.00 0.06 H ATOM 356 HG3 GLN A 26 -8.244 -8.291 -9.032 1.00 0.06 H ATOM 357 HE21 GLN A 26 -6.930 -6.296 -10.290 1.00 0.34 H ATOM 358 HE22 GLN A 26 -8.029 -5.259 -11.129 1.00 0.34 H ATOM 359 N CYS A 27 -8.801 -7.039 -4.728 1.00 -0.46 N ATOM 360 CA CYS A 27 -7.783 -6.420 -3.884 1.00 0.04 C ATOM 361 C CYS A 27 -6.950 -7.484 -3.212 1.00 0.62 C ATOM 362 O CYS A 27 -5.748 -7.292 -3.173 1.00 -0.50 O ATOM 363 CB CYS A 27 -8.388 -5.495 -2.801 1.00 -0.10 C ATOM 364 SG CYS A 27 -7.124 -4.889 -1.629 1.00 0.82 S ATOM 365 H CYS A 27 -9.761 -6.768 -4.627 1.00 0.25 H ATOM 366 HA CYS A 27 -7.131 -5.810 -4.533 1.00 0.05 H ATOM 367 HB2 CYS A 27 -8.904 -4.655 -3.285 1.00 0.05 H ATOM 368 HB3 CYS A 27 -9.108 -6.072 -2.206 1.00 0.05 H ATOM 369 N CYS A 28 -7.523 -8.591 -2.685 1.00 -0.46 N ATOM 370 CA CYS A 28 -6.674 -9.625 -2.087 1.00 0.04 C ATOM 371 C CYS A 28 -5.671 -10.162 -3.086 1.00 0.62 C ATOM 372 O CYS A 28 -4.531 -10.375 -2.701 1.00 -0.50 O ATOM 373 CB CYS A 28 -7.455 -10.778 -1.406 1.00 -0.10 C ATOM 374 SG CYS A 28 -8.079 -10.154 0.192 1.00 0.82 S ATOM 375 H CYS A 28 -8.513 -8.731 -2.743 1.00 0.25 H ATOM 376 HA CYS A 28 -6.090 -9.142 -1.293 1.00 0.05 H ATOM 377 HB2 CYS A 28 -8.281 -11.139 -2.037 1.00 0.05 H ATOM 378 HB3 CYS A 28 -6.773 -11.620 -1.209 1.00 0.05 H ATOM 379 N ASP A 29 -6.029 -10.369 -4.371 1.00 -0.46 N ATOM 380 CA ASP A 29 -4.990 -10.732 -5.334 1.00 0.04 C ATOM 381 C ASP A 29 -3.985 -9.596 -5.389 1.00 0.62 C ATOM 382 O ASP A 29 -2.789 -9.835 -5.419 1.00 -0.50 O ATOM 383 CB ASP A 29 -5.574 -11.065 -6.731 1.00 -0.40 C ATOM 384 CG ASP A 29 -4.502 -11.701 -7.577 1.00 0.71 C ATOM 385 OD1 ASP A 29 -3.674 -10.948 -8.152 1.00 -0.72 O ATOM 386 OD2 ASP A 29 -4.464 -12.963 -7.651 1.00 -0.72 O ATOM 387 H ASP A 29 -6.967 -10.209 -4.687 1.00 0.25 H ATOM 388 HA ASP A 29 -4.490 -11.640 -4.956 1.00 0.05 H ATOM 389 HB2 ASP A 29 -6.411 -11.773 -6.625 1.00 0.07 H ATOM 390 HB3 ASP A 29 -5.950 -10.154 -7.220 1.00 0.07 H ATOM 391 N GLY A 30 -4.432 -8.322 -5.371 1.00 -0.46 N ATOM 392 CA GLY A 30 -3.472 -7.224 -5.254 1.00 0.04 C ATOM 393 C GLY A 30 -2.652 -7.311 -3.981 1.00 0.62 C ATOM 394 O GLY A 30 -1.474 -7.001 -4.027 1.00 -0.50 O ATOM 395 H GLY A 30 -5.413 -8.118 -5.406 1.00 0.25 H ATOM 396 HA2 GLY A 30 -2.807 -7.236 -6.132 1.00 0.03 H ATOM 397 HA3 GLY A 30 -3.991 -6.252 -5.241 1.00 0.03 H ATOM 398 N VAL A 31 -3.234 -7.708 -2.826 1.00 -0.46 N ATOM 399 CA VAL A 31 -2.497 -7.706 -1.557 1.00 0.04 C ATOM 400 C VAL A 31 -1.231 -8.530 -1.688 1.00 0.62 C ATOM 401 O VAL A 31 -0.147 -8.008 -1.473 1.00 -0.50 O ATOM 402 CB VAL A 31 -3.366 -8.218 -0.361 1.00 -0.01 C ATOM 403 CG1 VAL A 31 -2.510 -8.448 0.910 1.00 -0.09 C ATOM 404 CG2 VAL A 31 -4.520 -7.241 0.005 1.00 -0.09 C ATOM 405 H VAL A 31 -4.192 -7.981 -2.832 1.00 0.25 H ATOM 406 HA VAL A 31 -2.208 -6.669 -1.331 1.00 0.05 H ATOM 407 HB VAL A 31 -3.797 -9.194 -0.626 1.00 0.02 H ATOM 408 HG11 VAL A 31 -1.761 -9.240 0.753 1.00 0.03 H ATOM 409 HG12 VAL A 31 -2.000 -7.508 1.167 1.00 0.03 H ATOM 410 HG13 VAL A 31 -3.149 -8.749 1.755 1.00 0.03 H ATOM 411 HG21 VAL A 31 -4.112 -6.349 0.485 1.00 0.03 H ATOM 412 HG22 VAL A 31 -5.087 -6.911 -0.870 1.00 0.03 H ATOM 413 HG23 VAL A 31 -5.221 -7.706 0.715 1.00 0.03 H ATOM 414 N LYS A 32 -1.350 -9.833 -2.032 1.00 -0.46 N ATOM 415 CA LYS A 32 -0.155 -10.678 -2.125 1.00 0.04 C ATOM 416 C LYS A 32 0.847 -10.078 -3.093 1.00 0.62 C ATOM 417 O LYS A 32 2.031 -10.070 -2.792 1.00 -0.50 O ATOM 418 CB LYS A 32 -0.491 -12.150 -2.519 1.00 -0.10 C ATOM 419 CG LYS A 32 -0.970 -12.259 -3.991 1.00 -0.16 C ATOM 420 CD LYS A 32 -1.608 -13.617 -4.389 1.00 -0.18 C ATOM 421 CE LYS A 32 -1.996 -13.565 -5.897 1.00 -0.04 C ATOM 422 NZ LYS A 32 -3.007 -14.577 -6.282 1.00 -0.14 N ATOM 423 H LYS A 32 -2.256 -10.229 -2.198 1.00 0.25 H ATOM 424 HA LYS A 32 0.300 -10.704 -1.120 1.00 0.05 H ATOM 425 HB2 LYS A 32 0.402 -12.784 -2.395 1.00 0.04 H ATOM 426 HB3 LYS A 32 -1.274 -12.528 -1.841 1.00 0.04 H ATOM 427 HG2 LYS A 32 -1.754 -11.508 -4.127 1.00 0.12 H ATOM 428 HG3 LYS A 32 -0.136 -12.042 -4.679 1.00 0.12 H ATOM 429 HD2 LYS A 32 -0.906 -14.446 -4.200 1.00 0.12 H ATOM 430 HD3 LYS A 32 -2.506 -13.777 -3.771 1.00 0.12 H ATOM 431 HE2 LYS A 32 -2.414 -12.572 -6.124 1.00 0.10 H ATOM 432 HE3 LYS A 32 -1.086 -13.680 -6.512 1.00 0.10 H ATOM 433 HZ1 LYS A 32 -2.647 -15.589 -6.160 1.00 0.29 H ATOM 434 HZ2 LYS A 32 -3.925 -14.465 -5.722 1.00 0.29 H ATOM 435 HZ3 LYS A 32 -3.319 -14.436 -7.311 1.00 0.29 H ATOM 436 N ASN A 33 0.401 -9.565 -4.265 1.00 -0.46 N ATOM 437 CA ASN A 33 1.356 -9.043 -5.241 1.00 0.04 C ATOM 438 C ASN A 33 2.012 -7.806 -4.677 1.00 0.62 C ATOM 439 O ASN A 33 3.229 -7.724 -4.689 1.00 -0.50 O ATOM 440 CB ASN A 33 0.694 -8.686 -6.598 1.00 -0.09 C ATOM 441 CG ASN A 33 0.298 -9.923 -7.369 1.00 0.68 C ATOM 442 OD1 ASN A 33 1.160 -10.517 -7.996 1.00 -0.47 O ATOM 443 ND2 ASN A 33 -0.979 -10.350 -7.360 1.00 -0.87 N ATOM 444 H ASN A 33 -0.577 -9.500 -4.470 1.00 0.25 H ATOM 445 HA ASN A 33 2.128 -9.806 -5.437 1.00 0.05 H ATOM 446 HB2 ASN A 33 -0.176 -8.039 -6.420 1.00 0.04 H ATOM 447 HB3 ASN A 33 1.411 -8.122 -7.216 1.00 0.04 H ATOM 448 HD21 ASN A 33 -1.694 -9.878 -6.844 1.00 0.34 H ATOM 449 HD22 ASN A 33 -1.235 -11.146 -7.907 1.00 0.34 H ATOM 450 N LEU A 34 1.215 -6.837 -4.177 1.00 -0.46 N ATOM 451 CA LEU A 34 1.783 -5.604 -3.632 1.00 0.04 C ATOM 452 C LEU A 34 2.910 -5.939 -2.677 1.00 0.62 C ATOM 453 O LEU A 34 4.040 -5.535 -2.911 1.00 -0.50 O ATOM 454 CB LEU A 34 0.683 -4.737 -2.945 1.00 -0.06 C ATOM 455 CG LEU A 34 -0.279 -4.041 -3.963 1.00 -0.01 C ATOM 456 CD1 LEU A 34 -1.652 -3.719 -3.310 1.00 -0.11 C ATOM 457 CD2 LEU A 34 0.337 -2.728 -4.517 1.00 -0.11 C ATOM 458 H LEU A 34 0.224 -6.955 -4.183 1.00 0.25 H ATOM 459 HA LEU A 34 2.219 -5.033 -4.462 1.00 0.05 H ATOM 460 HB2 LEU A 34 0.096 -5.389 -2.280 1.00 0.03 H ATOM 461 HB3 LEU A 34 1.157 -3.971 -2.310 1.00 0.03 H ATOM 462 HG LEU A 34 -0.470 -4.712 -4.817 1.00 0.03 H ATOM 463 HD11 LEU A 34 -1.509 -3.043 -2.455 1.00 0.03 H ATOM 464 HD12 LEU A 34 -2.326 -3.238 -4.036 1.00 0.03 H ATOM 465 HD13 LEU A 34 -2.142 -4.637 -2.955 1.00 0.03 H ATOM 466 HD21 LEU A 34 1.287 -2.922 -5.031 1.00 0.03 H ATOM 467 HD22 LEU A 34 -0.347 -2.253 -5.236 1.00 0.03 H ATOM 468 HD23 LEU A 34 0.520 -2.016 -3.698 1.00 0.03 H ATOM 469 N HIS A 35 2.625 -6.697 -1.595 1.00 -0.46 N ATOM 470 CA HIS A 35 3.689 -7.031 -0.647 1.00 0.04 C ATOM 471 C HIS A 35 4.836 -7.725 -1.347 1.00 0.62 C ATOM 472 O HIS A 35 5.985 -7.409 -1.078 1.00 -0.50 O ATOM 473 CB HIS A 35 3.159 -7.949 0.485 1.00 -0.10 C ATOM 474 CG HIS A 35 4.188 -8.210 1.560 1.00 0.06 C ATOM 475 ND1 HIS A 35 5.343 -8.800 1.432 1.00 -0.06 N ATOM 476 CD2 HIS A 35 4.086 -7.885 2.851 1.00 -0.04 C ATOM 477 CE1 HIS A 35 5.983 -8.872 2.563 1.00 0.11 C ATOM 478 NE2 HIS A 35 5.180 -8.306 3.415 1.00 -0.06 N ATOM 479 H HIS A 35 1.694 -7.041 -1.441 1.00 0.25 H ATOM 480 HA HIS A 35 4.052 -6.102 -0.181 1.00 0.05 H ATOM 481 HB2 HIS A 35 2.288 -7.451 0.940 1.00 0.09 H ATOM 482 HB3 HIS A 35 2.814 -8.911 0.077 1.00 0.09 H ATOM 483 HD1 HIS A 35 5.713 -9.175 0.548 1.00 0.31 H ATOM 484 HD2 HIS A 35 3.253 -7.377 3.324 1.00 0.15 H ATOM 485 HE1 HIS A 35 6.965 -9.308 2.751 1.00 0.16 H ATOM 486 HE2 HIS A 35 5.381 -8.203 4.423 1.00 0.31 H ATOM 487 N ASN A 36 4.547 -8.707 -2.227 1.00 -0.46 N ATOM 488 CA ASN A 36 5.632 -9.460 -2.854 1.00 0.04 C ATOM 489 C ASN A 36 6.532 -8.566 -3.680 1.00 0.62 C ATOM 490 O ASN A 36 7.742 -8.677 -3.563 1.00 -0.50 O ATOM 491 CB ASN A 36 5.071 -10.598 -3.750 1.00 -0.09 C ATOM 492 CG ASN A 36 6.194 -11.394 -4.368 1.00 0.68 C ATOM 493 OD1 ASN A 36 6.573 -12.413 -3.814 1.00 -0.47 O ATOM 494 ND2 ASN A 36 6.761 -10.957 -5.511 1.00 -0.87 N ATOM 495 H ASN A 36 3.595 -8.947 -2.441 1.00 0.25 H ATOM 496 HA ASN A 36 6.227 -9.931 -2.053 1.00 0.05 H ATOM 497 HB2 ASN A 36 4.443 -11.269 -3.143 1.00 0.04 H ATOM 498 HB3 ASN A 36 4.440 -10.176 -4.546 1.00 0.04 H ATOM 499 HD21 ASN A 36 6.452 -10.125 -5.972 1.00 0.34 H ATOM 500 HD22 ASN A 36 7.513 -11.483 -5.909 1.00 0.34 H ATOM 501 N GLN A 37 5.970 -7.683 -4.535 1.00 -0.46 N ATOM 502 CA GLN A 37 6.784 -6.921 -5.494 1.00 0.04 C ATOM 503 C GLN A 37 7.449 -5.687 -4.910 1.00 0.62 C ATOM 504 O GLN A 37 7.522 -4.676 -5.589 1.00 -0.50 O ATOM 505 CB GLN A 37 5.933 -6.620 -6.769 1.00 -0.10 C ATOM 506 CG GLN A 37 4.857 -5.509 -6.579 1.00 -0.10 C ATOM 507 CD GLN A 37 3.855 -5.435 -7.706 1.00 0.68 C ATOM 508 OE1 GLN A 37 3.964 -6.149 -8.691 1.00 -0.47 O ATOM 509 NE2 GLN A 37 2.841 -4.555 -7.590 1.00 -0.87 N ATOM 510 H GLN A 37 4.976 -7.589 -4.543 1.00 0.25 H ATOM 511 HA GLN A 37 7.609 -7.570 -5.834 1.00 0.05 H ATOM 512 HB2 GLN A 37 6.596 -6.327 -7.598 1.00 0.04 H ATOM 513 HB3 GLN A 37 5.432 -7.559 -7.059 1.00 0.04 H ATOM 514 HG2 GLN A 37 4.298 -5.669 -5.650 1.00 0.06 H ATOM 515 HG3 GLN A 37 5.322 -4.515 -6.510 1.00 0.06 H ATOM 516 HE21 GLN A 37 2.750 -3.994 -6.771 1.00 0.34 H ATOM 517 HE22 GLN A 37 2.171 -4.458 -8.322 1.00 0.34 H ATOM 518 N ALA A 38 7.963 -5.717 -3.657 1.00 -0.46 N ATOM 519 CA ALA A 38 8.490 -4.491 -3.054 1.00 0.04 C ATOM 520 C ALA A 38 9.441 -4.791 -1.910 1.00 0.62 C ATOM 521 O ALA A 38 9.189 -4.364 -0.794 1.00 -0.50 O ATOM 522 CB ALA A 38 7.251 -3.695 -2.589 1.00 -0.10 C ATOM 523 H ALA A 38 7.926 -6.538 -3.088 1.00 0.25 H ATOM 524 HA ALA A 38 9.031 -3.857 -3.774 1.00 0.05 H ATOM 525 HB1 ALA A 38 6.655 -4.319 -1.906 1.00 0.04 H ATOM 526 HB2 ALA A 38 7.591 -2.787 -2.072 1.00 0.04 H ATOM 527 HB3 ALA A 38 6.607 -3.400 -3.432 1.00 0.04 H ATOM 528 N ARG A 39 10.542 -5.536 -2.166 1.00 -0.46 N ATOM 529 CA ARG A 39 11.445 -5.952 -1.088 1.00 0.04 C ATOM 530 C ARG A 39 12.782 -5.232 -1.103 1.00 0.62 C ATOM 531 O ARG A 39 13.198 -4.769 -0.052 1.00 -0.50 O ATOM 532 CB ARG A 39 11.676 -7.489 -1.161 1.00 -0.08 C ATOM 533 CG ARG A 39 10.364 -8.319 -1.288 1.00 -0.10 C ATOM 534 CD ARG A 39 9.357 -8.092 -0.126 1.00 -0.23 C ATOM 535 NE ARG A 39 10.005 -8.347 1.167 1.00 -0.32 N ATOM 536 CZ ARG A 39 10.124 -9.530 1.733 1.00 0.76 C ATOM 537 NH1 ARG A 39 9.716 -10.646 1.179 1.00 -0.62 N ATOM 538 NH2 ARG A 39 10.682 -9.606 2.918 1.00 -0.62 N ATOM 539 H ARG A 39 10.730 -5.840 -3.101 1.00 0.25 H ATOM 540 HA ARG A 39 10.998 -5.753 -0.100 1.00 0.05 H ATOM 541 HB2 ARG A 39 12.305 -7.714 -2.039 1.00 0.06 H ATOM 542 HB3 ARG A 39 12.235 -7.809 -0.266 1.00 0.06 H ATOM 543 HG2 ARG A 39 9.871 -8.076 -2.242 1.00 0.07 H ATOM 544 HG3 ARG A 39 10.638 -9.385 -1.325 1.00 0.07 H ATOM 545 HD2 ARG A 39 9.015 -7.045 -0.165 1.00 0.13 H ATOM 546 HD3 ARG A 39 8.435 -8.677 -0.276 1.00 0.13 H ATOM 547 HE ARG A 39 10.373 -7.523 1.668 1.00 0.27 H ATOM 548 HH11 ARG A 39 9.291 -10.662 0.247 1.00 0.36 H ATOM 549 HH12 ARG A 39 9.828 -11.549 1.661 1.00 0.36 H ATOM 550 HH21 ARG A 39 11.020 -8.764 3.406 1.00 0.36 H ATOM 551 HH22 ARG A 39 10.798 -10.510 3.398 1.00 0.36 H ATOM 552 N SER A 40 13.499 -5.134 -2.247 1.00 -0.46 N ATOM 553 CA SER A 40 14.855 -4.572 -2.202 1.00 0.04 C ATOM 554 C SER A 40 14.868 -3.092 -1.874 1.00 0.62 C ATOM 555 O SER A 40 13.824 -2.458 -1.915 1.00 -0.50 O ATOM 556 CB SER A 40 15.611 -4.808 -3.538 1.00 0.02 C ATOM 557 OG SER A 40 17.001 -4.449 -3.433 1.00 -0.55 O ATOM 558 H SER A 40 13.141 -5.472 -3.121 1.00 0.25 H ATOM 559 HA SER A 40 15.412 -5.101 -1.410 1.00 0.05 H ATOM 560 HB2 SER A 40 15.514 -5.861 -3.854 1.00 0.12 H ATOM 561 HB3 SER A 40 15.164 -4.179 -4.321 1.00 0.12 H ATOM 562 HG SER A 40 17.493 -5.030 -2.860 1.00 0.31 H ATOM 563 N GLN A 41 16.052 -2.511 -1.558 1.00 -0.46 N ATOM 564 CA GLN A 41 16.146 -1.078 -1.253 1.00 0.04 C ATOM 565 C GLN A 41 16.157 -0.323 -2.569 1.00 0.62 C ATOM 566 O GLN A 41 17.155 0.274 -2.939 1.00 -0.50 O ATOM 567 CB GLN A 41 17.405 -0.783 -0.389 1.00 -0.10 C ATOM 568 CG GLN A 41 17.353 -1.541 0.966 1.00 -0.10 C ATOM 569 CD GLN A 41 18.587 -1.330 1.809 1.00 0.68 C ATOM 570 OE1 GLN A 41 19.415 -0.496 1.483 1.00 -0.47 O ATOM 571 NE2 GLN A 41 18.738 -2.079 2.921 1.00 -0.87 N ATOM 572 H GLN A 41 16.897 -3.044 -1.598 1.00 0.25 H ATOM 573 HA GLN A 41 15.271 -0.751 -0.664 1.00 0.05 H ATOM 574 HB2 GLN A 41 18.307 -1.088 -0.944 1.00 0.04 H ATOM 575 HB3 GLN A 41 17.469 0.301 -0.197 1.00 0.04 H ATOM 576 HG2 GLN A 41 16.483 -1.195 1.542 1.00 0.06 H ATOM 577 HG3 GLN A 41 17.243 -2.623 0.793 1.00 0.06 H ATOM 578 HE21 GLN A 41 18.056 -2.761 3.187 1.00 0.34 H ATOM 579 HE22 GLN A 41 19.555 -1.953 3.483 1.00 0.34 H ATOM 580 N SER A 42 15.012 -0.374 -3.283 1.00 -0.46 N ATOM 581 CA SER A 42 14.890 0.167 -4.642 1.00 0.04 C ATOM 582 C SER A 42 13.501 -0.174 -5.151 1.00 0.62 C ATOM 583 O SER A 42 12.741 0.715 -5.505 1.00 -0.50 O ATOM 584 CB SER A 42 15.944 -0.420 -5.616 1.00 0.02 C ATOM 585 OG SER A 42 15.569 -0.054 -6.955 1.00 -0.55 O ATOM 586 H SER A 42 14.220 -0.810 -2.864 1.00 0.25 H ATOM 587 HA SER A 42 15.008 1.262 -4.608 1.00 0.05 H ATOM 588 HB2 SER A 42 16.944 -0.017 -5.387 1.00 0.12 H ATOM 589 HB3 SER A 42 15.983 -1.517 -5.513 1.00 0.12 H ATOM 590 HG SER A 42 16.162 -0.396 -7.618 1.00 0.31 H ATOM 591 N ASP A 43 13.134 -1.478 -5.131 1.00 -0.46 N ATOM 592 CA ASP A 43 11.745 -1.861 -5.379 1.00 0.04 C ATOM 593 C ASP A 43 10.897 -1.054 -4.412 1.00 0.62 C ATOM 594 O ASP A 43 9.931 -0.407 -4.789 1.00 -0.50 O ATOM 595 CB ASP A 43 11.531 -3.384 -5.119 1.00 -0.40 C ATOM 596 CG ASP A 43 12.601 -4.285 -5.671 1.00 0.71 C ATOM 597 OD1 ASP A 43 13.200 -3.937 -6.721 1.00 -0.72 O ATOM 598 OD2 ASP A 43 12.859 -5.343 -5.029 1.00 -0.72 O ATOM 599 H ASP A 43 13.788 -2.187 -4.874 1.00 0.25 H ATOM 600 HA ASP A 43 11.492 -1.618 -6.424 1.00 0.05 H ATOM 601 HB2 ASP A 43 11.496 -3.575 -4.038 1.00 0.07 H ATOM 602 HB3 ASP A 43 10.580 -3.714 -5.555 1.00 0.07 H ATOM 603 N ARG A 44 11.304 -1.079 -3.121 1.00 -0.46 N ATOM 604 CA ARG A 44 10.628 -0.287 -2.099 1.00 0.04 C ATOM 605 C ARG A 44 10.624 1.183 -2.443 1.00 0.62 C ATOM 606 O ARG A 44 9.587 1.803 -2.267 1.00 -0.50 O ATOM 607 CB ARG A 44 11.300 -0.466 -0.709 1.00 -0.08 C ATOM 608 CG ARG A 44 11.027 -1.892 -0.161 1.00 -0.10 C ATOM 609 CD ARG A 44 11.740 -2.209 1.185 1.00 -0.23 C ATOM 610 NE ARG A 44 11.406 -1.326 2.312 1.00 -0.32 N ATOM 611 CZ ARG A 44 11.789 -1.550 3.551 1.00 0.76 C ATOM 612 NH1 ARG A 44 12.539 -2.568 3.894 1.00 -0.62 N ATOM 613 NH2 ARG A 44 11.409 -0.727 4.497 1.00 -0.62 N ATOM 614 H ARG A 44 12.083 -1.642 -2.848 1.00 0.25 H ATOM 615 HA ARG A 44 9.580 -0.625 -2.042 1.00 0.05 H ATOM 616 HB2 ARG A 44 12.383 -0.278 -0.777 1.00 0.06 H ATOM 617 HB3 ARG A 44 10.870 0.286 -0.031 1.00 0.06 H ATOM 618 HG2 ARG A 44 9.938 -1.999 -0.069 1.00 0.07 H ATOM 619 HG3 ARG A 44 11.360 -2.647 -0.892 1.00 0.07 H ATOM 620 HD2 ARG A 44 11.441 -3.243 1.431 1.00 0.13 H ATOM 621 HD3 ARG A 44 12.828 -2.182 0.998 1.00 0.13 H ATOM 622 HE ARG A 44 10.825 -0.498 2.120 1.00 0.27 H ATOM 623 HH11 ARG A 44 12.899 -3.230 3.198 1.00 0.36 H ATOM 624 HH12 ARG A 44 12.789 -2.732 4.877 1.00 0.36 H ATOM 625 HH21 ARG A 44 10.794 0.073 4.292 1.00 0.36 H ATOM 626 HH22 ARG A 44 11.718 -0.853 5.472 1.00 0.36 H ATOM 627 N GLN A 45 11.738 1.787 -2.916 1.00 -0.46 N ATOM 628 CA GLN A 45 11.676 3.204 -3.275 1.00 0.04 C ATOM 629 C GLN A 45 10.490 3.417 -4.189 1.00 0.62 C ATOM 630 O GLN A 45 9.624 4.208 -3.845 1.00 -0.50 O ATOM 631 CB GLN A 45 12.934 3.777 -3.991 1.00 -0.10 C ATOM 632 CG GLN A 45 14.127 4.070 -3.041 1.00 -0.10 C ATOM 633 CD GLN A 45 13.940 5.326 -2.215 1.00 0.68 C ATOM 634 OE1 GLN A 45 12.825 5.789 -2.029 1.00 -0.47 O ATOM 635 NE2 GLN A 45 15.031 5.921 -1.690 1.00 -0.87 N ATOM 636 H GLN A 45 12.593 1.284 -3.030 1.00 0.25 H ATOM 637 HA GLN A 45 11.511 3.767 -2.346 1.00 0.05 H ATOM 638 HB2 GLN A 45 13.251 3.071 -4.772 1.00 0.04 H ATOM 639 HB3 GLN A 45 12.679 4.725 -4.495 1.00 0.04 H ATOM 640 HG2 GLN A 45 14.302 3.204 -2.385 1.00 0.06 H ATOM 641 HG3 GLN A 45 15.026 4.211 -3.661 1.00 0.06 H ATOM 642 HE21 GLN A 45 15.949 5.550 -1.834 1.00 0.34 H ATOM 643 HE22 GLN A 45 14.925 6.760 -1.157 1.00 0.34 H ATOM 644 N SER A 46 10.432 2.730 -5.348 1.00 -0.46 N ATOM 645 CA SER A 46 9.323 2.961 -6.272 1.00 0.04 C ATOM 646 C SER A 46 7.992 2.763 -5.582 1.00 0.62 C ATOM 647 O SER A 46 7.143 3.641 -5.643 1.00 -0.50 O ATOM 648 CB SER A 46 9.421 1.996 -7.483 1.00 0.02 C ATOM 649 OG SER A 46 10.623 2.228 -8.235 1.00 -0.55 O ATOM 650 H SER A 46 11.148 2.070 -5.596 1.00 0.25 H ATOM 651 HA SER A 46 9.382 3.998 -6.642 1.00 0.05 H ATOM 652 HB2 SER A 46 9.471 0.960 -7.121 1.00 0.12 H ATOM 653 HB3 SER A 46 8.534 2.087 -8.127 1.00 0.12 H ATOM 654 HG SER A 46 10.665 3.099 -8.615 1.00 0.31 H ATOM 655 N ALA A 47 7.784 1.607 -4.915 1.00 -0.46 N ATOM 656 CA ALA A 47 6.469 1.343 -4.335 1.00 0.04 C ATOM 657 C ALA A 47 6.121 2.399 -3.309 1.00 0.62 C ATOM 658 O ALA A 47 5.051 2.984 -3.368 1.00 -0.50 O ATOM 659 CB ALA A 47 6.410 -0.063 -3.680 1.00 -0.10 C ATOM 660 H ALA A 47 8.509 0.917 -4.830 1.00 0.25 H ATOM 661 HA ALA A 47 5.732 1.388 -5.152 1.00 0.05 H ATOM 662 HB1 ALA A 47 7.110 -0.124 -2.835 1.00 0.04 H ATOM 663 HB2 ALA A 47 5.393 -0.276 -3.318 1.00 0.04 H ATOM 664 HB3 ALA A 47 6.685 -0.842 -4.405 1.00 0.04 H ATOM 665 N CYS A 48 7.029 2.661 -2.343 1.00 -0.46 N ATOM 666 CA CYS A 48 6.714 3.616 -1.286 1.00 0.04 C ATOM 667 C CYS A 48 6.652 5.044 -1.774 1.00 0.62 C ATOM 668 O CYS A 48 5.922 5.826 -1.186 1.00 -0.50 O ATOM 669 CB CYS A 48 7.657 3.456 -0.068 1.00 -0.10 C ATOM 670 SG CYS A 48 9.357 4.007 -0.444 1.00 0.82 S ATOM 671 H CYS A 48 7.913 2.194 -2.338 1.00 0.25 H ATOM 672 HA CYS A 48 5.705 3.377 -0.932 1.00 0.05 H ATOM 673 HB2 CYS A 48 7.252 4.036 0.772 1.00 0.05 H ATOM 674 HB3 CYS A 48 7.698 2.397 0.233 1.00 0.05 H ATOM 675 N ASN A 49 7.395 5.435 -2.832 1.00 -0.46 N ATOM 676 CA ASN A 49 7.198 6.783 -3.369 1.00 0.04 C ATOM 677 C ASN A 49 5.789 6.836 -3.919 1.00 0.62 C ATOM 678 O ASN A 49 5.092 7.802 -3.651 1.00 -0.50 O ATOM 679 CB ASN A 49 8.248 7.211 -4.430 1.00 -0.09 C ATOM 680 CG ASN A 49 9.515 7.690 -3.755 1.00 0.68 C ATOM 681 OD1 ASN A 49 9.717 8.888 -3.652 1.00 -0.47 O ATOM 682 ND2 ASN A 49 10.391 6.795 -3.260 1.00 -0.87 N ATOM 683 H ASN A 49 7.995 4.793 -3.313 1.00 0.25 H ATOM 684 HA ASN A 49 7.255 7.513 -2.544 1.00 0.05 H ATOM 685 HB2 ASN A 49 8.455 6.390 -5.134 1.00 0.04 H ATOM 686 HB3 ASN A 49 7.840 8.051 -5.015 1.00 0.04 H ATOM 687 HD21 ASN A 49 10.227 5.820 -3.365 1.00 0.34 H ATOM 688 HD22 ASN A 49 11.237 7.108 -2.823 1.00 0.34 H ATOM 689 N CYS A 50 5.326 5.800 -4.659 1.00 -0.46 N ATOM 690 CA CYS A 50 3.910 5.771 -5.032 1.00 0.04 C ATOM 691 C CYS A 50 3.060 5.925 -3.785 1.00 0.62 C ATOM 692 O CYS A 50 2.179 6.767 -3.798 1.00 -0.50 O ATOM 693 CB CYS A 50 3.492 4.511 -5.850 1.00 -0.10 C ATOM 694 SG CYS A 50 3.284 4.879 -7.628 1.00 0.82 S ATOM 695 H CYS A 50 5.927 5.034 -4.899 1.00 0.25 H ATOM 696 HA CYS A 50 3.711 6.669 -5.640 1.00 0.05 H ATOM 697 HB2 CYS A 50 4.204 3.680 -5.740 1.00 0.05 H ATOM 698 HB3 CYS A 50 2.505 4.150 -5.524 1.00 0.05 H ATOM 699 N LEU A 51 3.283 5.165 -2.690 1.00 -0.46 N ATOM 700 CA LEU A 51 2.451 5.376 -1.500 1.00 0.04 C ATOM 701 C LEU A 51 2.427 6.837 -1.128 1.00 0.62 C ATOM 702 O LEU A 51 1.357 7.423 -1.063 1.00 -0.50 O ATOM 703 CB LEU A 51 2.899 4.507 -0.290 1.00 -0.06 C ATOM 704 CG LEU A 51 2.065 4.593 1.027 1.00 -0.01 C ATOM 705 CD1 LEU A 51 2.134 5.971 1.741 1.00 -0.11 C ATOM 706 CD2 LEU A 51 0.590 4.173 0.809 1.00 -0.11 C ATOM 707 H LEU A 51 3.985 4.451 -2.697 1.00 0.25 H ATOM 708 HA LEU A 51 1.432 5.091 -1.783 1.00 0.05 H ATOM 709 HB2 LEU A 51 2.859 3.470 -0.644 1.00 0.03 H ATOM 710 HB3 LEU A 51 3.941 4.742 -0.036 1.00 0.03 H ATOM 711 HG LEU A 51 2.508 3.859 1.725 1.00 0.03 H ATOM 712 HD11 LEU A 51 1.506 6.722 1.255 1.00 0.03 H ATOM 713 HD12 LEU A 51 1.748 5.864 2.762 1.00 0.03 H ATOM 714 HD13 LEU A 51 3.166 6.348 1.790 1.00 0.03 H ATOM 715 HD21 LEU A 51 0.103 4.820 0.076 1.00 0.03 H ATOM 716 HD22 LEU A 51 0.538 3.150 0.436 1.00 0.03 H ATOM 717 HD23 LEU A 51 0.025 4.211 1.749 1.00 0.03 H ATOM 718 N LYS A 52 3.607 7.442 -0.877 1.00 -0.46 N ATOM 719 CA LYS A 52 3.615 8.822 -0.399 1.00 0.04 C ATOM 720 C LYS A 52 2.861 9.697 -1.380 1.00 0.62 C ATOM 721 O LYS A 52 2.029 10.488 -0.961 1.00 -0.50 O ATOM 722 CB LYS A 52 5.048 9.379 -0.157 1.00 -0.10 C ATOM 723 CG LYS A 52 5.855 8.673 0.980 1.00 -0.16 C ATOM 724 CD LYS A 52 5.367 8.916 2.443 1.00 -0.18 C ATOM 725 CE LYS A 52 5.964 10.167 3.154 1.00 -0.04 C ATOM 726 NZ LYS A 52 5.632 11.463 2.515 1.00 -0.14 N ATOM 727 H LYS A 52 4.469 6.953 -1.019 1.00 0.25 H ATOM 728 HA LYS A 52 3.061 8.840 0.547 1.00 0.05 H ATOM 729 HB2 LYS A 52 5.604 9.268 -1.103 1.00 0.04 H ATOM 730 HB3 LYS A 52 4.964 10.454 0.047 1.00 0.04 H ATOM 731 HG2 LYS A 52 5.827 7.589 0.786 1.00 0.12 H ATOM 732 HG3 LYS A 52 6.913 8.978 0.916 1.00 0.12 H ATOM 733 HD2 LYS A 52 4.270 8.943 2.504 1.00 0.12 H ATOM 734 HD3 LYS A 52 5.696 8.054 3.049 1.00 0.12 H ATOM 735 HE2 LYS A 52 5.573 10.176 4.189 1.00 0.10 H ATOM 736 HE3 LYS A 52 7.062 10.061 3.223 1.00 0.10 H ATOM 737 HZ1 LYS A 52 6.204 11.636 1.615 1.00 0.29 H ATOM 738 HZ2 LYS A 52 4.577 11.550 2.295 1.00 0.29 H ATOM 739 HZ3 LYS A 52 5.883 12.297 3.158 1.00 0.29 H ATOM 740 N GLY A 53 3.130 9.566 -2.696 1.00 -0.46 N ATOM 741 CA GLY A 53 2.426 10.398 -3.670 1.00 0.04 C ATOM 742 C GLY A 53 0.934 10.146 -3.684 1.00 0.62 C ATOM 743 O GLY A 53 0.175 11.101 -3.735 1.00 -0.50 O ATOM 744 H GLY A 53 3.809 8.903 -3.024 1.00 0.25 H ATOM 745 HA2 GLY A 53 2.626 11.458 -3.446 1.00 0.03 H ATOM 746 HA3 GLY A 53 2.796 10.195 -4.688 1.00 0.03 H ATOM 747 N ILE A 54 0.492 8.868 -3.664 1.00 -0.46 N ATOM 748 CA ILE A 54 -0.938 8.572 -3.767 1.00 0.04 C ATOM 749 C ILE A 54 -1.572 8.749 -2.401 1.00 0.62 C ATOM 750 O ILE A 54 -2.300 9.708 -2.207 1.00 -0.50 O ATOM 751 CB ILE A 54 -1.236 7.180 -4.421 1.00 -0.01 C ATOM 752 CG1 ILE A 54 -1.038 7.180 -5.972 1.00 -0.05 C ATOM 753 CG2 ILE A 54 -2.692 6.712 -4.122 1.00 -0.09 C ATOM 754 CD1 ILE A 54 0.414 7.449 -6.444 1.00 -0.09 C ATOM 755 H ILE A 54 1.136 8.111 -3.560 1.00 0.25 H ATOM 756 HA ILE A 54 -1.420 9.306 -4.434 1.00 0.05 H ATOM 757 HB ILE A 54 -0.553 6.429 -3.994 1.00 0.02 H ATOM 758 HG12 ILE A 54 -1.321 6.192 -6.371 1.00 0.03 H ATOM 759 HG13 ILE A 54 -1.707 7.926 -6.431 1.00 0.03 H ATOM 760 HG21 ILE A 54 -2.905 5.748 -4.610 1.00 0.03 H ATOM 761 HG22 ILE A 54 -2.873 6.574 -3.046 1.00 0.03 H ATOM 762 HG23 ILE A 54 -3.407 7.454 -4.507 1.00 0.03 H ATOM 763 HD11 ILE A 54 0.463 7.401 -7.543 1.00 0.03 H ATOM 764 HD12 ILE A 54 0.762 8.444 -6.133 1.00 0.03 H ATOM 765 HD13 ILE A 54 1.090 6.682 -6.041 1.00 0.03 H ATOM 766 N ALA A 55 -1.348 7.846 -1.421 1.00 -0.46 N ATOM 767 CA ALA A 55 -2.169 7.895 -0.209 1.00 0.04 C ATOM 768 C ALA A 55 -1.839 9.075 0.671 1.00 0.62 C ATOM 769 O ALA A 55 -2.746 9.769 1.100 1.00 -0.50 O ATOM 770 CB ALA A 55 -2.008 6.626 0.660 1.00 -0.10 C ATOM 771 H ALA A 55 -0.662 7.125 -1.531 1.00 0.25 H ATOM 772 HA ALA A 55 -3.230 7.944 -0.509 1.00 0.05 H ATOM 773 HB1 ALA A 55 -0.996 6.583 1.082 1.00 0.04 H ATOM 774 HB2 ALA A 55 -2.718 6.632 1.496 1.00 0.04 H ATOM 775 HB3 ALA A 55 -2.201 5.734 0.052 1.00 0.04 H ATOM 776 N ARG A 56 -0.544 9.309 0.976 1.00 -0.46 N ATOM 777 CA ARG A 56 -0.211 10.388 1.908 1.00 0.04 C ATOM 778 C ARG A 56 -0.540 11.695 1.215 1.00 0.62 C ATOM 779 O ARG A 56 -1.102 12.585 1.833 1.00 -0.50 O ATOM 780 CB ARG A 56 1.266 10.287 2.394 1.00 -0.08 C ATOM 781 CG ARG A 56 1.522 10.818 3.835 1.00 -0.10 C ATOM 782 CD ARG A 56 1.202 12.324 4.021 1.00 -0.23 C ATOM 783 NE ARG A 56 1.602 12.797 5.352 1.00 -0.32 N ATOM 784 CZ ARG A 56 1.433 14.034 5.767 1.00 0.76 C ATOM 785 NH1 ARG A 56 0.889 14.964 5.022 1.00 -0.62 N ATOM 786 NH2 ARG A 56 1.822 14.358 6.976 1.00 -0.62 N ATOM 787 H ARG A 56 0.183 8.766 0.549 1.00 0.25 H ATOM 788 HA ARG A 56 -0.860 10.269 2.793 1.00 0.05 H ATOM 789 HB2 ARG A 56 1.542 9.220 2.430 1.00 0.06 H ATOM 790 HB3 ARG A 56 1.929 10.791 1.675 1.00 0.06 H ATOM 791 HG2 ARG A 56 0.918 10.242 4.556 1.00 0.07 H ATOM 792 HG3 ARG A 56 2.586 10.651 4.075 1.00 0.07 H ATOM 793 HD2 ARG A 56 1.725 12.887 3.231 1.00 0.13 H ATOM 794 HD3 ARG A 56 0.113 12.453 3.923 1.00 0.13 H ATOM 795 HE ARG A 56 2.032 12.110 5.992 1.00 0.27 H ATOM 796 HH11 ARG A 56 0.563 14.767 4.068 1.00 0.36 H ATOM 797 HH12 ARG A 56 0.770 15.924 5.374 1.00 0.36 H ATOM 798 HH21 ARG A 56 2.253 13.663 7.603 1.00 0.36 H ATOM 799 HH22 ARG A 56 1.705 15.316 7.335 1.00 0.36 H ATOM 800 N GLY A 57 -0.221 11.833 -0.094 1.00 -0.46 N ATOM 801 CA GLY A 57 -0.645 13.029 -0.821 1.00 0.04 C ATOM 802 C GLY A 57 -2.142 13.227 -0.716 1.00 0.62 C ATOM 803 O GLY A 57 -2.579 14.331 -0.430 1.00 -0.50 O ATOM 804 H GLY A 57 0.285 11.122 -0.590 1.00 0.25 H ATOM 805 HA2 GLY A 57 -0.115 13.903 -0.411 1.00 0.03 H ATOM 806 HA3 GLY A 57 -0.393 12.951 -1.890 1.00 0.03 H ATOM 807 N ILE A 58 -2.955 12.167 -0.942 1.00 -0.46 N ATOM 808 CA ILE A 58 -4.405 12.305 -0.757 1.00 0.04 C ATOM 809 C ILE A 58 -4.656 12.720 0.683 1.00 0.62 C ATOM 810 O ILE A 58 -3.937 12.254 1.552 1.00 -0.50 O ATOM 811 CB ILE A 58 -5.170 11.000 -1.153 1.00 -0.01 C ATOM 812 CG1 ILE A 58 -5.145 10.791 -2.700 1.00 -0.05 C ATOM 813 CG2 ILE A 58 -6.634 11.001 -0.632 1.00 -0.09 C ATOM 814 CD1 ILE A 58 -5.453 9.330 -3.128 1.00 -0.09 C ATOM 815 H ILE A 58 -2.566 11.276 -1.188 1.00 0.25 H ATOM 816 HA ILE A 58 -4.758 13.111 -1.420 1.00 0.05 H ATOM 817 HB ILE A 58 -4.655 10.159 -0.662 1.00 0.02 H ATOM 818 HG12 ILE A 58 -5.871 11.470 -3.176 1.00 0.03 H ATOM 819 HG13 ILE A 58 -4.154 11.054 -3.100 1.00 0.03 H ATOM 820 HG21 ILE A 58 -7.209 11.829 -1.072 1.00 0.03 H ATOM 821 HG22 ILE A 58 -7.142 10.055 -0.861 1.00 0.03 H ATOM 822 HG23 ILE A 58 -6.646 11.107 0.456 1.00 0.03 H ATOM 823 HD11 ILE A 58 -4.759 8.630 -2.637 1.00 0.03 H ATOM 824 HD12 ILE A 58 -6.479 9.034 -2.873 1.00 0.03 H ATOM 825 HD13 ILE A 58 -5.336 9.229 -4.218 1.00 0.03 H ATOM 826 N HIS A 59 -5.653 13.596 0.968 1.00 -0.46 N ATOM 827 CA HIS A 59 -5.866 14.097 2.332 1.00 0.04 C ATOM 828 C HIS A 59 -7.338 13.994 2.680 1.00 0.62 C ATOM 829 O HIS A 59 -7.979 14.999 2.945 1.00 -0.50 O ATOM 830 CB HIS A 59 -5.330 15.551 2.386 1.00 -0.10 C ATOM 831 CG HIS A 59 -5.448 16.209 3.739 1.00 0.06 C ATOM 832 ND1 HIS A 59 -5.163 17.458 3.966 1.00 -0.06 N ATOM 833 CD2 HIS A 59 -5.839 15.693 4.909 1.00 -0.04 C ATOM 834 CE1 HIS A 59 -5.351 17.779 5.211 1.00 0.11 C ATOM 835 NE2 HIS A 59 -5.765 16.675 5.760 1.00 -0.06 N ATOM 836 H HIS A 59 -6.241 13.960 0.243 1.00 0.25 H ATOM 837 HA HIS A 59 -5.317 13.502 3.080 1.00 0.05 H ATOM 838 HB2 HIS A 59 -4.267 15.548 2.093 1.00 0.09 H ATOM 839 HB3 HIS A 59 -5.885 16.159 1.655 1.00 0.09 H ATOM 840 HD1 HIS A 59 -4.832 18.115 3.243 1.00 0.31 H ATOM 841 HD2 HIS A 59 -6.157 14.673 5.126 1.00 0.15 H ATOM 842 HE1 HIS A 59 -5.197 18.750 5.685 1.00 0.16 H ATOM 843 HE2 HIS A 59 -6.008 16.587 6.760 1.00 0.31 H ATOM 844 N ASN A 60 -7.863 12.749 2.674 1.00 -0.46 N ATOM 845 CA ASN A 60 -9.293 12.495 2.887 1.00 0.04 C ATOM 846 C ASN A 60 -9.477 10.989 2.828 1.00 0.62 C ATOM 847 O ASN A 60 -10.082 10.489 1.893 1.00 -0.50 O ATOM 848 CB ASN A 60 -10.144 13.183 1.782 1.00 -0.09 C ATOM 849 CG ASN A 60 -11.621 12.905 1.930 1.00 0.68 C ATOM 850 OD1 ASN A 60 -12.041 12.364 2.940 1.00 -0.47 O ATOM 851 ND2 ASN A 60 -12.448 13.278 0.933 1.00 -0.87 N ATOM 852 H ASN A 60 -7.251 11.975 2.512 1.00 0.25 H ATOM 853 HA ASN A 60 -9.596 12.866 3.880 1.00 0.05 H ATOM 854 HB2 ASN A 60 -10.024 14.275 1.819 1.00 0.04 H ATOM 855 HB3 ASN A 60 -9.797 12.835 0.796 1.00 0.04 H ATOM 856 HD21 ASN A 60 -12.100 13.726 0.109 1.00 0.34 H ATOM 857 HD22 ASN A 60 -13.428 13.099 1.021 1.00 0.34 H ATOM 858 N LEU A 61 -8.889 10.254 3.800 1.00 -0.46 N ATOM 859 CA LEU A 61 -8.657 8.821 3.606 1.00 0.04 C ATOM 860 C LEU A 61 -8.677 8.105 4.937 1.00 0.62 C ATOM 861 O LEU A 61 -8.076 8.613 5.871 1.00 -0.50 O ATOM 862 CB LEU A 61 -7.283 8.774 2.880 1.00 -0.06 C ATOM 863 CG LEU A 61 -6.718 7.369 2.528 1.00 -0.01 C ATOM 864 CD1 LEU A 61 -5.555 7.532 1.508 1.00 -0.11 C ATOM 865 CD2 LEU A 61 -6.219 6.591 3.779 1.00 -0.11 C ATOM 866 H LEU A 61 -8.456 10.695 4.589 1.00 0.25 H ATOM 867 HA LEU A 61 -9.429 8.386 2.951 1.00 0.05 H ATOM 868 HB2 LEU A 61 -7.428 9.322 1.936 1.00 0.03 H ATOM 869 HB3 LEU A 61 -6.534 9.325 3.471 1.00 0.03 H ATOM 870 HG LEU A 61 -7.516 6.792 2.040 1.00 0.03 H ATOM 871 HD11 LEU A 61 -4.750 8.138 1.951 1.00 0.03 H ATOM 872 HD12 LEU A 61 -5.147 6.552 1.222 1.00 0.03 H ATOM 873 HD13 LEU A 61 -5.901 8.027 0.587 1.00 0.03 H ATOM 874 HD21 LEU A 61 -5.556 5.760 3.498 1.00 0.03 H ATOM 875 HD22 LEU A 61 -5.663 7.253 4.460 1.00 0.03 H ATOM 876 HD23 LEU A 61 -7.062 6.151 4.322 1.00 0.03 H ATOM 877 N ASN A 62 -9.356 6.940 5.066 1.00 -0.46 N ATOM 878 CA ASN A 62 -9.458 6.284 6.370 1.00 0.04 C ATOM 879 C ASN A 62 -8.191 5.502 6.666 1.00 0.62 C ATOM 880 O ASN A 62 -8.189 4.284 6.581 1.00 -0.50 O ATOM 881 CB ASN A 62 -10.735 5.402 6.414 1.00 -0.09 C ATOM 882 CG ASN A 62 -10.974 4.953 7.834 1.00 0.68 C ATOM 883 OD1 ASN A 62 -10.536 3.878 8.202 1.00 -0.47 O ATOM 884 ND2 ASN A 62 -11.650 5.760 8.676 1.00 -0.87 N ATOM 885 H ASN A 62 -9.791 6.499 4.276 1.00 0.25 H ATOM 886 HA ASN A 62 -9.587 7.050 7.154 1.00 0.05 H ATOM 887 HB2 ASN A 62 -11.601 5.988 6.067 1.00 0.04 H ATOM 888 HB3 ASN A 62 -10.630 4.542 5.737 1.00 0.04 H ATOM 889 HD21 ASN A 62 -12.002 6.649 8.382 1.00 0.34 H ATOM 890 HD22 ASN A 62 -11.799 5.460 9.618 1.00 0.34 H ATOM 891 N GLU A 63 -7.089 6.206 7.018 1.00 -0.46 N ATOM 892 CA GLU A 63 -5.813 5.532 7.286 1.00 0.04 C ATOM 893 C GLU A 63 -5.987 4.267 8.100 1.00 0.62 C ATOM 894 O GLU A 63 -5.426 3.243 7.742 1.00 -0.50 O ATOM 895 CB GLU A 63 -4.841 6.510 8.008 1.00 -0.18 C ATOM 896 CG GLU A 63 -3.466 5.870 8.357 1.00 -0.40 C ATOM 897 CD GLU A 63 -3.491 5.081 9.642 1.00 0.71 C ATOM 898 OE1 GLU A 63 -3.643 5.704 10.730 1.00 -0.72 O ATOM 899 OE2 GLU A 63 -3.346 3.834 9.584 1.00 -0.72 O ATOM 900 H GLU A 63 -7.124 7.208 7.047 1.00 0.25 H ATOM 901 HA GLU A 63 -5.369 5.257 6.315 1.00 0.05 H ATOM 902 HB2 GLU A 63 -4.674 7.370 7.338 1.00 0.09 H ATOM 903 HB3 GLU A 63 -5.309 6.894 8.929 1.00 0.09 H ATOM 904 HG2 GLU A 63 -3.120 5.229 7.531 1.00 0.07 H ATOM 905 HG3 GLU A 63 -2.716 6.664 8.495 1.00 0.07 H ATOM 906 N ASP A 64 -6.767 4.303 9.201 1.00 -0.46 N ATOM 907 CA ASP A 64 -6.878 3.107 10.032 1.00 0.04 C ATOM 908 C ASP A 64 -7.394 1.918 9.247 1.00 0.62 C ATOM 909 O ASP A 64 -6.776 0.864 9.288 1.00 -0.50 O ATOM 910 CB ASP A 64 -7.777 3.351 11.271 1.00 -0.40 C ATOM 911 CG ASP A 64 -7.737 2.131 12.152 1.00 0.71 C ATOM 912 OD1 ASP A 64 -6.685 1.932 12.822 1.00 -0.72 O ATOM 913 OD2 ASP A 64 -8.738 1.367 12.170 1.00 -0.72 O ATOM 914 H ASP A 64 -7.240 5.141 9.474 1.00 0.25 H ATOM 915 HA ASP A 64 -5.863 2.878 10.396 1.00 0.05 H ATOM 916 HB2 ASP A 64 -7.403 4.214 11.844 1.00 0.07 H ATOM 917 HB3 ASP A 64 -8.810 3.566 10.957 1.00 0.07 H ATOM 918 N ASN A 65 -8.528 2.033 8.517 1.00 -0.46 N ATOM 919 CA ASN A 65 -9.028 0.856 7.807 1.00 0.04 C ATOM 920 C ASN A 65 -8.010 0.453 6.760 1.00 0.62 C ATOM 921 O ASN A 65 -7.771 -0.734 6.599 1.00 -0.50 O ATOM 922 CB ASN A 65 -10.478 0.986 7.258 1.00 -0.09 C ATOM 923 CG ASN A 65 -10.605 1.663 5.917 1.00 0.68 C ATOM 924 OD1 ASN A 65 -9.646 2.207 5.399 1.00 -0.47 O ATOM 925 ND2 ASN A 65 -11.804 1.632 5.304 1.00 -0.87 N ATOM 926 H ASN A 65 -9.019 2.904 8.447 1.00 0.25 H ATOM 927 HA ASN A 65 -9.078 0.057 8.567 1.00 0.05 H ATOM 928 HB2 ASN A 65 -10.898 -0.023 7.139 1.00 0.04 H ATOM 929 HB3 ASN A 65 -11.111 1.497 7.997 1.00 0.04 H ATOM 930 HD21 ASN A 65 -12.602 1.192 5.714 1.00 0.34 H ATOM 931 HD22 ASN A 65 -11.874 2.052 4.399 1.00 0.34 H ATOM 932 N ALA A 66 -7.357 1.411 6.062 1.00 -0.46 N ATOM 933 CA ALA A 66 -6.291 1.043 5.127 1.00 0.04 C ATOM 934 C ALA A 66 -5.274 0.173 5.840 1.00 0.62 C ATOM 935 O ALA A 66 -4.938 -0.895 5.353 1.00 -0.50 O ATOM 936 CB ALA A 66 -5.586 2.300 4.551 1.00 -0.10 C ATOM 937 H ALA A 66 -7.600 2.379 6.181 1.00 0.25 H ATOM 938 HA ALA A 66 -6.744 0.485 4.291 1.00 0.05 H ATOM 939 HB1 ALA A 66 -4.888 2.019 3.749 1.00 0.04 H ATOM 940 HB2 ALA A 66 -6.341 2.990 4.149 1.00 0.04 H ATOM 941 HB3 ALA A 66 -5.015 2.838 5.319 1.00 0.04 H ATOM 942 N ARG A 67 -4.799 0.623 7.022 1.00 -0.46 N ATOM 943 CA ARG A 67 -3.859 -0.169 7.827 1.00 0.04 C ATOM 944 C ARG A 67 -4.445 -1.491 8.283 1.00 0.62 C ATOM 945 O ARG A 67 -3.671 -2.383 8.594 1.00 -0.50 O ATOM 946 CB ARG A 67 -3.405 0.708 9.028 1.00 -0.08 C ATOM 947 CG ARG A 67 -2.505 0.003 10.080 1.00 -0.10 C ATOM 948 CD ARG A 67 -2.009 1.055 11.118 1.00 -0.23 C ATOM 949 NE ARG A 67 -3.152 1.668 11.817 1.00 -0.32 N ATOM 950 CZ ARG A 67 -3.228 2.926 12.207 1.00 0.76 C ATOM 951 NH1 ARG A 67 -2.245 3.788 12.113 1.00 -0.62 N ATOM 952 NH2 ARG A 67 -4.353 3.353 12.730 1.00 -0.62 N ATOM 953 H ARG A 67 -5.124 1.504 7.375 1.00 0.25 H ATOM 954 HA ARG A 67 -2.972 -0.395 7.209 1.00 0.05 H ATOM 955 HB2 ARG A 67 -2.872 1.572 8.601 1.00 0.06 H ATOM 956 HB3 ARG A 67 -4.296 1.082 9.550 1.00 0.06 H ATOM 957 HG2 ARG A 67 -3.070 -0.788 10.598 1.00 0.07 H ATOM 958 HG3 ARG A 67 -1.647 -0.472 9.576 1.00 0.07 H ATOM 959 HD2 ARG A 67 -1.354 0.573 11.862 1.00 0.13 H ATOM 960 HD3 ARG A 67 -1.405 1.751 10.519 1.00 0.13 H ATOM 961 HE ARG A 67 -3.977 1.065 11.963 1.00 0.27 H ATOM 962 HH11 ARG A 67 -1.324 3.524 11.757 1.00 0.36 H ATOM 963 HH12 ARG A 67 -2.378 4.772 12.387 1.00 0.36 H ATOM 964 HH21 ARG A 67 -5.163 2.725 12.847 1.00 0.36 H ATOM 965 HH22 ARG A 67 -4.466 4.332 13.027 1.00 0.36 H ATOM 966 N SER A 68 -5.787 -1.657 8.324 1.00 -0.46 N ATOM 967 CA SER A 68 -6.391 -2.964 8.606 1.00 0.04 C ATOM 968 C SER A 68 -6.583 -3.833 7.376 1.00 0.62 C ATOM 969 O SER A 68 -6.984 -4.971 7.560 1.00 -0.50 O ATOM 970 CB SER A 68 -7.766 -2.771 9.299 1.00 0.02 C ATOM 971 OG SER A 68 -8.281 -4.041 9.740 1.00 -0.55 O ATOM 972 H SER A 68 -6.393 -0.888 8.135 1.00 0.25 H ATOM 973 HA SER A 68 -5.759 -3.527 9.313 1.00 0.05 H ATOM 974 HB2 SER A 68 -7.635 -2.091 10.160 1.00 0.12 H ATOM 975 HB3 SER A 68 -8.475 -2.315 8.589 1.00 0.12 H ATOM 976 HG SER A 68 -9.103 -3.963 10.217 1.00 0.31 H ATOM 977 N ILE A 69 -6.332 -3.395 6.117 1.00 -0.46 N ATOM 978 CA ILE A 69 -6.485 -4.322 4.986 1.00 0.04 C ATOM 979 C ILE A 69 -5.459 -5.446 5.043 1.00 0.62 C ATOM 980 O ILE A 69 -5.872 -6.583 4.871 1.00 -0.50 O ATOM 981 CB ILE A 69 -6.534 -3.687 3.558 1.00 -0.01 C ATOM 982 CG1 ILE A 69 -7.690 -2.647 3.434 1.00 -0.05 C ATOM 983 CG2 ILE A 69 -6.659 -4.792 2.466 1.00 -0.09 C ATOM 984 CD1 ILE A 69 -7.641 -1.840 2.108 1.00 -0.09 C ATOM 985 H ILE A 69 -6.020 -2.459 5.949 1.00 0.25 H ATOM 986 HA ILE A 69 -7.483 -4.770 5.088 1.00 0.05 H ATOM 987 HB ILE A 69 -5.590 -3.160 3.380 1.00 0.02 H ATOM 988 HG12 ILE A 69 -8.666 -3.148 3.526 1.00 0.03 H ATOM 989 HG13 ILE A 69 -7.607 -1.923 4.258 1.00 0.03 H ATOM 990 HG21 ILE A 69 -6.691 -4.360 1.457 1.00 0.03 H ATOM 991 HG22 ILE A 69 -5.798 -5.476 2.488 1.00 0.03 H ATOM 992 HG23 ILE A 69 -7.577 -5.379 2.621 1.00 0.03 H ATOM 993 HD11 ILE A 69 -7.997 -2.428 1.250 1.00 0.03 H ATOM 994 HD12 ILE A 69 -8.258 -0.935 2.170 1.00 0.03 H ATOM 995 HD13 ILE A 69 -6.615 -1.510 1.912 1.00 0.03 H ATOM 996 N PRO A 70 -4.134 -5.237 5.260 1.00 -0.23 N ATOM 997 CA PRO A 70 -3.185 -6.345 5.197 1.00 0.04 C ATOM 998 C PRO A 70 -3.557 -7.651 5.882 1.00 0.53 C ATOM 999 O PRO A 70 -3.469 -8.660 5.196 1.00 -0.50 O ATOM 1000 CB PRO A 70 -1.909 -5.670 5.758 1.00 -0.12 C ATOM 1001 CG PRO A 70 -2.079 -4.178 5.410 1.00 -0.12 C ATOM 1002 CD PRO A 70 -3.591 -3.918 5.544 1.00 -0.01 C ATOM 1003 HA PRO A 70 -3.022 -6.541 4.123 1.00 0.05 H ATOM 1004 HB2 PRO A 70 -1.849 -5.766 6.848 1.00 0.06 H ATOM 1005 HB3 PRO A 70 -0.990 -6.075 5.316 1.00 0.06 H ATOM 1006 HG2 PRO A 70 -1.485 -3.507 6.050 1.00 0.06 H ATOM 1007 HG3 PRO A 70 -1.782 -4.040 4.362 1.00 0.06 H ATOM 1008 HD2 PRO A 70 -3.830 -3.637 6.574 1.00 0.06 H ATOM 1009 HD3 PRO A 70 -3.884 -3.120 4.853 1.00 0.06 H ATOM 1010 N PRO A 71 -3.983 -7.758 7.171 1.00 -0.23 N ATOM 1011 CA PRO A 71 -4.350 -9.067 7.700 1.00 0.04 C ATOM 1012 C PRO A 71 -5.576 -9.640 7.023 1.00 0.53 C ATOM 1013 O PRO A 71 -5.757 -10.845 7.101 1.00 -0.50 O ATOM 1014 CB PRO A 71 -4.658 -8.701 9.174 1.00 -0.12 C ATOM 1015 CG PRO A 71 -5.124 -7.230 9.090 1.00 -0.12 C ATOM 1016 CD PRO A 71 -4.127 -6.624 8.076 1.00 -0.01 C ATOM 1017 HA PRO A 71 -3.511 -9.781 7.632 1.00 0.05 H ATOM 1018 HB2 PRO A 71 -5.405 -9.361 9.643 1.00 0.06 H ATOM 1019 HB3 PRO A 71 -3.728 -8.741 9.767 1.00 0.06 H ATOM 1020 HG2 PRO A 71 -6.149 -7.197 8.686 1.00 0.06 H ATOM 1021 HG3 PRO A 71 -5.112 -6.714 10.064 1.00 0.06 H ATOM 1022 HD2 PRO A 71 -4.527 -5.706 7.633 1.00 0.06 H ATOM 1023 HD3 PRO A 71 -3.180 -6.417 8.598 1.00 0.06 H ATOM 1024 N LYS A 72 -6.428 -8.835 6.344 1.00 -0.46 N ATOM 1025 CA LYS A 72 -7.603 -9.407 5.680 1.00 0.04 C ATOM 1026 C LYS A 72 -7.136 -10.471 4.710 1.00 0.62 C ATOM 1027 O LYS A 72 -7.864 -11.425 4.485 1.00 -0.50 O ATOM 1028 CB LYS A 72 -8.477 -8.376 4.905 1.00 -0.10 C ATOM 1029 CG LYS A 72 -8.995 -7.178 5.756 1.00 -0.16 C ATOM 1030 CD LYS A 72 -10.094 -7.523 6.797 1.00 -0.18 C ATOM 1031 CE LYS A 72 -10.279 -6.378 7.838 1.00 -0.04 C ATOM 1032 NZ LYS A 72 -10.473 -5.042 7.226 1.00 -0.14 N ATOM 1033 H LYS A 72 -6.230 -7.863 6.236 1.00 0.25 H ATOM 1034 HA LYS A 72 -8.220 -9.902 6.446 1.00 0.05 H ATOM 1035 HB2 LYS A 72 -7.865 -7.980 4.078 1.00 0.04 H ATOM 1036 HB3 LYS A 72 -9.344 -8.891 4.459 1.00 0.04 H ATOM 1037 HG2 LYS A 72 -8.158 -6.727 6.298 1.00 0.12 H ATOM 1038 HG3 LYS A 72 -9.400 -6.422 5.062 1.00 0.12 H ATOM 1039 HD2 LYS A 72 -11.042 -7.718 6.269 1.00 0.12 H ATOM 1040 HD3 LYS A 72 -9.827 -8.436 7.353 1.00 0.12 H ATOM 1041 HE2 LYS A 72 -11.149 -6.625 8.472 1.00 0.10 H ATOM 1042 HE3 LYS A 72 -9.392 -6.341 8.496 1.00 0.10 H ATOM 1043 HZ1 LYS A 72 -10.759 -4.296 7.956 1.00 0.29 H ATOM 1044 HZ2 LYS A 72 -9.577 -4.639 6.774 1.00 0.29 H ATOM 1045 HZ3 LYS A 72 -11.258 -5.041 6.482 1.00 0.29 H ATOM 1046 N CYS A 73 -5.921 -10.332 4.127 1.00 -0.46 N ATOM 1047 CA CYS A 73 -5.353 -11.406 3.316 1.00 0.04 C ATOM 1048 C CYS A 73 -3.907 -11.660 3.707 1.00 0.62 C ATOM 1049 O CYS A 73 -3.036 -11.722 2.855 1.00 -0.50 O ATOM 1050 CB CYS A 73 -5.664 -11.110 1.825 1.00 -0.10 C ATOM 1051 SG CYS A 73 -7.426 -11.529 1.540 1.00 0.82 S ATOM 1052 H CYS A 73 -5.364 -9.506 4.251 1.00 0.25 H ATOM 1053 HA CYS A 73 -5.810 -12.381 3.558 1.00 0.05 H ATOM 1054 HB2 CYS A 73 -5.463 -10.054 1.598 1.00 0.05 H ATOM 1055 HB3 CYS A 73 -5.055 -11.741 1.158 1.00 0.05 H ATOM 1056 N GLY A 74 -3.679 -11.861 5.027 1.00 -0.46 N ATOM 1057 CA GLY A 74 -2.444 -12.487 5.506 1.00 0.04 C ATOM 1058 C GLY A 74 -1.116 -11.811 5.249 1.00 0.62 C ATOM 1059 O GLY A 74 -0.157 -12.539 5.049 1.00 -0.50 O ATOM 1060 H GLY A 74 -4.420 -11.733 5.692 1.00 0.25 H ATOM 1061 HA2 GLY A 74 -2.491 -12.599 6.602 1.00 0.03 H ATOM 1062 HA3 GLY A 74 -2.411 -13.503 5.080 1.00 0.03 H ATOM 1063 N VAL A 75 -0.994 -10.464 5.296 1.00 -0.46 N ATOM 1064 CA VAL A 75 0.334 -9.835 5.205 1.00 0.04 C ATOM 1065 C VAL A 75 0.380 -8.581 6.061 1.00 0.62 C ATOM 1066 O VAL A 75 -0.657 -8.217 6.591 1.00 -0.50 O ATOM 1067 CB VAL A 75 0.732 -9.529 3.728 1.00 -0.01 C ATOM 1068 CG1 VAL A 75 0.619 -10.764 2.793 1.00 -0.09 C ATOM 1069 CG2 VAL A 75 -0.114 -8.363 3.162 1.00 -0.09 C ATOM 1070 H VAL A 75 -1.801 -9.882 5.425 1.00 0.25 H ATOM 1071 HA VAL A 75 1.093 -10.507 5.639 1.00 0.05 H ATOM 1072 HB VAL A 75 1.789 -9.226 3.704 1.00 0.02 H ATOM 1073 HG11 VAL A 75 0.970 -10.511 1.780 1.00 0.03 H ATOM 1074 HG12 VAL A 75 1.242 -11.590 3.168 1.00 0.03 H ATOM 1075 HG13 VAL A 75 -0.424 -11.103 2.716 1.00 0.03 H ATOM 1076 HG21 VAL A 75 -1.180 -8.602 3.271 1.00 0.03 H ATOM 1077 HG22 VAL A 75 0.084 -7.427 3.694 1.00 0.03 H ATOM 1078 HG23 VAL A 75 0.130 -8.196 2.103 1.00 0.03 H ATOM 1079 N ASN A 76 1.551 -7.910 6.211 1.00 -0.46 N ATOM 1080 CA ASN A 76 1.633 -6.674 7.001 1.00 0.04 C ATOM 1081 C ASN A 76 2.584 -5.685 6.348 1.00 0.62 C ATOM 1082 O ASN A 76 3.439 -5.140 7.026 1.00 -0.50 O ATOM 1083 CB ASN A 76 2.052 -7.039 8.448 1.00 -0.09 C ATOM 1084 CG ASN A 76 1.037 -7.982 9.049 1.00 0.68 C ATOM 1085 OD1 ASN A 76 0.121 -7.522 9.710 1.00 -0.47 O ATOM 1086 ND2 ASN A 76 1.156 -9.309 8.835 1.00 -0.87 N ATOM 1087 H ASN A 76 2.401 -8.267 5.821 1.00 0.25 H ATOM 1088 HA ASN A 76 0.665 -6.155 7.058 1.00 0.05 H ATOM 1089 HB2 ASN A 76 3.048 -7.509 8.436 1.00 0.04 H ATOM 1090 HB3 ASN A 76 2.114 -6.129 9.066 1.00 0.04 H ATOM 1091 HD21 ASN A 76 1.911 -9.690 8.302 1.00 0.34 H ATOM 1092 HD22 ASN A 76 0.471 -9.923 9.226 1.00 0.34 H ATOM 1093 N LEU A 77 2.439 -5.476 5.016 1.00 -0.46 N ATOM 1094 CA LEU A 77 3.410 -4.700 4.225 1.00 0.04 C ATOM 1095 C LEU A 77 4.797 -5.312 4.353 1.00 0.62 C ATOM 1096 O LEU A 77 4.970 -6.134 5.239 1.00 -0.50 O ATOM 1097 CB LEU A 77 3.428 -3.185 4.584 1.00 -0.06 C ATOM 1098 CG LEU A 77 2.216 -2.347 4.076 1.00 -0.01 C ATOM 1099 CD1 LEU A 77 2.189 -2.167 2.532 1.00 -0.11 C ATOM 1100 CD2 LEU A 77 0.864 -2.894 4.589 1.00 -0.11 C ATOM 1101 H LEU A 77 1.676 -5.912 4.541 1.00 0.25 H ATOM 1102 HA LEU A 77 3.124 -4.806 3.170 1.00 0.05 H ATOM 1103 HB2 LEU A 77 3.517 -3.087 5.675 1.00 0.03 H ATOM 1104 HB3 LEU A 77 4.313 -2.704 4.150 1.00 0.03 H ATOM 1105 HG LEU A 77 2.339 -1.338 4.501 1.00 0.03 H ATOM 1106 HD11 LEU A 77 1.409 -1.443 2.251 1.00 0.03 H ATOM 1107 HD12 LEU A 77 3.156 -1.781 2.178 1.00 0.03 H ATOM 1108 HD13 LEU A 77 1.978 -3.110 2.010 1.00 0.03 H ATOM 1109 HD21 LEU A 77 0.060 -2.168 4.388 1.00 0.03 H ATOM 1110 HD22 LEU A 77 0.620 -3.832 4.076 1.00 0.03 H ATOM 1111 HD23 LEU A 77 0.916 -3.078 5.673 1.00 0.03 H ATOM 1112 N PRO A 78 5.846 -5.016 3.541 1.00 -0.23 N ATOM 1113 CA PRO A 78 7.168 -5.519 3.893 1.00 0.04 C ATOM 1114 C PRO A 78 7.724 -4.801 5.111 1.00 0.53 C ATOM 1115 O PRO A 78 8.652 -5.333 5.701 1.00 -0.50 O ATOM 1116 CB PRO A 78 7.946 -5.277 2.578 1.00 -0.12 C ATOM 1117 CG PRO A 78 6.871 -4.886 1.534 1.00 -0.12 C ATOM 1118 CD PRO A 78 5.746 -4.199 2.338 1.00 -0.01 C ATOM 1119 HA PRO A 78 7.139 -6.601 4.087 1.00 0.05 H ATOM 1120 HB2 PRO A 78 8.671 -4.471 2.719 1.00 0.06 H ATOM 1121 HB3 PRO A 78 8.506 -6.164 2.248 1.00 0.06 H ATOM 1122 HG2 PRO A 78 7.276 -4.242 0.741 1.00 0.06 H ATOM 1123 HG3 PRO A 78 6.469 -5.802 1.070 1.00 0.06 H ATOM 1124 HD2 PRO A 78 6.014 -3.150 2.540 1.00 0.06 H ATOM 1125 HD3 PRO A 78 4.801 -4.245 1.777 1.00 0.06 H ATOM 1126 N TYR A 79 7.184 -3.620 5.510 1.00 -0.46 N ATOM 1127 CA TYR A 79 7.615 -2.922 6.729 1.00 0.04 C ATOM 1128 C TYR A 79 6.391 -2.607 7.574 1.00 0.62 C ATOM 1129 O TYR A 79 6.195 -3.268 8.582 1.00 -0.50 O ATOM 1130 CB TYR A 79 8.436 -1.624 6.432 1.00 -0.10 C ATOM 1131 CG TYR A 79 8.226 -1.168 4.982 1.00 -0.03 C ATOM 1132 CD1 TYR A 79 8.788 -1.964 3.982 1.00 0.00 C ATOM 1133 CD2 TYR A 79 7.502 -0.023 4.622 1.00 0.00 C ATOM 1134 CE1 TYR A 79 8.500 -1.713 2.643 1.00 -0.26 C ATOM 1135 CE2 TYR A 79 7.232 0.241 3.274 1.00 -0.26 C ATOM 1136 CZ TYR A 79 7.726 -0.610 2.282 1.00 0.46 C ATOM 1137 OH TYR A 79 7.452 -0.360 0.942 1.00 -0.53 O ATOM 1138 H TYR A 79 6.461 -3.180 4.987 1.00 0.25 H ATOM 1139 HA TYR A 79 8.247 -3.577 7.355 1.00 0.05 H ATOM 1140 HB2 TYR A 79 8.189 -0.819 7.143 1.00 0.04 H ATOM 1141 HB3 TYR A 79 9.515 -1.822 6.549 1.00 0.04 H ATOM 1142 HD1 TYR A 79 9.446 -2.785 4.245 1.00 0.06 H ATOM 1143 HD2 TYR A 79 7.143 0.664 5.382 1.00 0.06 H ATOM 1144 HE1 TYR A 79 8.877 -2.374 1.880 1.00 0.10 H ATOM 1145 HE2 TYR A 79 6.636 1.101 2.987 1.00 0.10 H ATOM 1146 HH TYR A 79 7.401 -1.171 0.442 1.00 0.33 H ATOM 1147 N THR A 80 5.566 -1.597 7.202 1.00 -0.46 N ATOM 1148 CA THR A 80 4.478 -1.150 8.079 1.00 0.04 C ATOM 1149 C THR A 80 3.337 -0.556 7.270 1.00 0.62 C ATOM 1150 O THR A 80 2.348 -1.249 7.096 1.00 -0.50 O ATOM 1151 CB THR A 80 4.994 -0.095 9.100 1.00 0.17 C ATOM 1152 OG1 THR A 80 5.568 0.997 8.357 1.00 -0.55 O ATOM 1153 CG2 THR A 80 6.056 -0.668 10.077 1.00 -0.19 C ATOM 1154 H THR A 80 5.719 -1.092 6.355 1.00 0.25 H ATOM 1155 HA THR A 80 4.064 -2.003 8.643 1.00 0.05 H ATOM 1156 HB THR A 80 4.132 0.267 9.691 1.00 0.08 H ATOM 1157 HG1 THR A 80 5.904 1.689 8.919 1.00 0.31 H ATOM 1158 HG21 THR A 80 6.982 -0.916 9.538 1.00 0.07 H ATOM 1159 HG22 THR A 80 6.302 0.079 10.847 1.00 0.07 H ATOM 1160 HG23 THR A 80 5.677 -1.571 10.580 1.00 0.07 H ATOM 1161 N ILE A 81 3.468 0.706 6.788 1.00 -0.46 N ATOM 1162 CA ILE A 81 2.437 1.380 5.979 1.00 0.04 C ATOM 1163 C ILE A 81 2.805 2.856 5.908 1.00 0.62 C ATOM 1164 O ILE A 81 2.507 3.600 6.828 1.00 -0.50 O ATOM 1165 CB ILE A 81 0.951 1.165 6.418 1.00 -0.01 C ATOM 1166 CG1 ILE A 81 -0.057 2.022 5.595 1.00 -0.05 C ATOM 1167 CG2 ILE A 81 0.739 1.411 7.940 1.00 -0.09 C ATOM 1168 CD1 ILE A 81 0.054 1.818 4.058 1.00 -0.09 C ATOM 1169 H ILE A 81 4.332 1.190 6.947 1.00 0.25 H ATOM 1170 HA ILE A 81 2.534 0.961 4.967 1.00 0.05 H ATOM 1171 HB ILE A 81 0.667 0.120 6.210 1.00 0.02 H ATOM 1172 HG12 ILE A 81 -1.082 1.751 5.900 1.00 0.03 H ATOM 1173 HG13 ILE A 81 0.089 3.083 5.839 1.00 0.03 H ATOM 1174 HG21 ILE A 81 -0.287 1.128 8.215 1.00 0.03 H ATOM 1175 HG22 ILE A 81 1.430 0.810 8.548 1.00 0.03 H ATOM 1176 HG23 ILE A 81 0.874 2.467 8.210 1.00 0.03 H ATOM 1177 HD11 ILE A 81 0.038 0.745 3.809 1.00 0.03 H ATOM 1178 HD12 ILE A 81 -0.796 2.301 3.551 1.00 0.03 H ATOM 1179 HD13 ILE A 81 0.979 2.262 3.661 1.00 0.03 H ATOM 1180 N SER A 82 3.493 3.330 4.844 1.00 -0.46 N ATOM 1181 CA SER A 82 4.136 4.648 4.908 1.00 0.04 C ATOM 1182 C SER A 82 3.254 5.886 4.899 1.00 0.62 C ATOM 1183 O SER A 82 3.729 6.895 4.403 1.00 -0.50 O ATOM 1184 CB SER A 82 5.215 4.725 3.792 1.00 0.02 C ATOM 1185 OG SER A 82 6.104 3.604 3.943 1.00 -0.55 O ATOM 1186 H SER A 82 3.687 2.746 4.053 1.00 0.25 H ATOM 1187 HA SER A 82 4.689 4.702 5.861 1.00 0.05 H ATOM 1188 HB2 SER A 82 4.733 4.686 2.803 1.00 0.12 H ATOM 1189 HB3 SER A 82 5.774 5.671 3.867 1.00 0.12 H ATOM 1190 HG SER A 82 6.832 3.622 3.330 1.00 0.31 H ATOM 1191 N LEU A 83 2.009 5.915 5.433 1.00 -0.46 N ATOM 1192 CA LEU A 83 1.302 7.197 5.516 1.00 0.04 C ATOM 1193 C LEU A 83 1.922 7.964 6.666 1.00 0.62 C ATOM 1194 O LEU A 83 2.413 9.063 6.459 1.00 -0.50 O ATOM 1195 CB LEU A 83 -0.241 7.160 5.747 1.00 -0.06 C ATOM 1196 CG LEU A 83 -1.094 6.792 4.494 1.00 -0.01 C ATOM 1197 CD1 LEU A 83 -1.105 5.261 4.246 1.00 -0.11 C ATOM 1198 CD2 LEU A 83 -2.557 7.284 4.674 1.00 -0.11 C ATOM 1199 H LEU A 83 1.605 5.112 5.868 1.00 0.25 H ATOM 1200 HA LEU A 83 1.464 7.772 4.590 1.00 0.05 H ATOM 1201 HB2 LEU A 83 -0.496 6.496 6.587 1.00 0.03 H ATOM 1202 HB3 LEU A 83 -0.531 8.183 6.039 1.00 0.03 H ATOM 1203 HG LEU A 83 -0.683 7.299 3.604 1.00 0.03 H ATOM 1204 HD11 LEU A 83 -0.082 4.887 4.106 1.00 0.03 H ATOM 1205 HD12 LEU A 83 -1.563 4.742 5.102 1.00 0.03 H ATOM 1206 HD13 LEU A 83 -1.693 5.019 3.347 1.00 0.03 H ATOM 1207 HD21 LEU A 83 -2.598 8.380 4.770 1.00 0.03 H ATOM 1208 HD22 LEU A 83 -3.176 6.998 3.814 1.00 0.03 H ATOM 1209 HD23 LEU A 83 -2.996 6.836 5.574 1.00 0.03 H ATOM 1210 N ASN A 84 1.896 7.384 7.889 1.00 -0.46 N ATOM 1211 CA ASN A 84 2.370 8.099 9.076 1.00 0.04 C ATOM 1212 C ASN A 84 3.769 7.689 9.493 1.00 0.62 C ATOM 1213 O ASN A 84 4.075 7.848 10.663 1.00 -0.50 O ATOM 1214 CB ASN A 84 1.351 7.854 10.225 1.00 -0.09 C ATOM 1215 CG ASN A 84 -0.069 8.191 9.834 1.00 0.68 C ATOM 1216 OD1 ASN A 84 -0.301 8.731 8.765 1.00 -0.47 O ATOM 1217 ND2 ASN A 84 -1.056 7.882 10.699 1.00 -0.87 N ATOM 1218 H ASN A 84 1.536 6.457 8.010 1.00 0.25 H ATOM 1219 HA ASN A 84 2.400 9.187 8.901 1.00 0.05 H ATOM 1220 HB2 ASN A 84 1.391 6.792 10.515 1.00 0.04 H ATOM 1221 HB3 ASN A 84 1.613 8.463 11.105 1.00 0.04 H ATOM 1222 HD21 ASN A 84 -0.862 7.439 11.574 1.00 0.34 H ATOM 1223 HD22 ASN A 84 -2.005 8.094 10.461 1.00 0.34 H ATOM 1224 N ILE A 85 4.631 7.169 8.581 1.00 -0.46 N ATOM 1225 CA ILE A 85 5.998 6.798 8.961 1.00 0.04 C ATOM 1226 C ILE A 85 6.969 7.454 7.988 1.00 0.62 C ATOM 1227 O ILE A 85 7.421 8.551 8.275 1.00 -0.50 O ATOM 1228 CB ILE A 85 6.177 5.255 9.163 1.00 -0.01 C ATOM 1229 CG1 ILE A 85 5.224 4.676 10.259 1.00 -0.05 C ATOM 1230 CG2 ILE A 85 7.658 4.940 9.526 1.00 -0.09 C ATOM 1231 CD1 ILE A 85 3.826 4.265 9.716 1.00 -0.09 C ATOM 1232 H ILE A 85 4.359 7.024 7.629 1.00 0.25 H ATOM 1233 HA ILE A 85 6.262 7.243 9.934 1.00 0.05 H ATOM 1234 HB ILE A 85 5.943 4.716 8.232 1.00 0.02 H ATOM 1235 HG12 ILE A 85 5.657 3.759 10.691 1.00 0.03 H ATOM 1236 HG13 ILE A 85 5.111 5.399 11.083 1.00 0.03 H ATOM 1237 HG21 ILE A 85 8.350 5.315 8.759 1.00 0.03 H ATOM 1238 HG22 ILE A 85 7.920 5.404 10.489 1.00 0.03 H ATOM 1239 HG23 ILE A 85 7.815 3.853 9.609 1.00 0.03 H ATOM 1240 HD11 ILE A 85 3.316 5.098 9.218 1.00 0.03 H ATOM 1241 HD12 ILE A 85 3.928 3.441 8.993 1.00 0.03 H ATOM 1242 HD13 ILE A 85 3.187 3.917 10.543 1.00 0.03 H ATOM 1243 N ASP A 86 7.304 6.828 6.836 1.00 -0.46 N ATOM 1244 CA ASP A 86 8.284 7.398 5.905 1.00 0.04 C ATOM 1245 C ASP A 86 8.395 6.482 4.704 1.00 0.62 C ATOM 1246 O ASP A 86 7.984 5.341 4.840 1.00 -0.50 O ATOM 1247 CB ASP A 86 9.692 7.501 6.558 1.00 -0.40 C ATOM 1248 CG ASP A 86 10.750 7.913 5.569 1.00 0.71 C ATOM 1249 OD1 ASP A 86 10.441 8.744 4.673 1.00 -0.72 O ATOM 1250 OD2 ASP A 86 11.896 7.390 5.646 1.00 -0.72 O ATOM 1251 H ASP A 86 6.896 5.949 6.590 1.00 0.25 H ATOM 1252 HA ASP A 86 7.937 8.390 5.570 1.00 0.05 H ATOM 1253 HB2 ASP A 86 9.701 8.238 7.374 1.00 0.07 H ATOM 1254 HB3 ASP A 86 9.955 6.517 6.977 1.00 0.07 H ATOM 1255 N CYS A 87 8.938 6.907 3.539 1.00 -0.46 N ATOM 1256 CA CYS A 87 9.033 5.981 2.407 1.00 0.04 C ATOM 1257 C CYS A 87 9.607 4.648 2.870 1.00 0.62 C ATOM 1258 O CYS A 87 9.219 3.632 2.321 1.00 -0.50 O ATOM 1259 CB CYS A 87 9.822 6.564 1.197 1.00 -0.10 C ATOM 1260 SG CYS A 87 9.223 6.035 -0.448 1.00 0.82 S ATOM 1261 H CYS A 87 9.260 7.854 3.455 1.00 0.25 H ATOM 1262 HA CYS A 87 7.991 5.842 2.081 1.00 0.05 H ATOM 1263 HB2 CYS A 87 9.710 7.659 1.167 1.00 0.05 H ATOM 1264 HB3 CYS A 87 10.891 6.331 1.270 1.00 0.05 H ATOM 1265 N SER A 88 10.506 4.614 3.886 1.00 -0.46 N ATOM 1266 CA SER A 88 10.918 3.342 4.493 1.00 0.04 C ATOM 1267 C SER A 88 11.571 2.402 3.501 1.00 0.62 C ATOM 1268 O SER A 88 10.909 1.512 2.988 1.00 -0.50 O ATOM 1269 CB SER A 88 9.715 2.661 5.201 1.00 0.02 C ATOM 1270 OG SER A 88 10.113 1.411 5.797 1.00 -0.55 O ATOM 1271 H SER A 88 10.843 5.460 4.302 1.00 0.25 H ATOM 1272 HA SER A 88 11.656 3.543 5.289 1.00 0.05 H ATOM 1273 HB2 SER A 88 9.286 3.335 5.962 1.00 0.12 H ATOM 1274 HB3 SER A 88 8.924 2.433 4.473 1.00 0.12 H ATOM 1275 HG SER A 88 10.744 1.525 6.501 1.00 0.31 H ATOM 1276 N ARG A 89 12.887 2.569 3.232 1.00 -0.46 N ATOM 1277 CA ARG A 89 13.579 1.691 2.286 1.00 0.04 C ATOM 1278 C ARG A 89 14.255 0.542 3.011 1.00 0.62 C ATOM 1279 O ARG A 89 14.160 -0.585 2.555 1.00 -0.50 O ATOM 1280 CB ARG A 89 14.686 2.445 1.497 1.00 -0.08 C ATOM 1281 CG ARG A 89 14.190 3.653 0.645 1.00 -0.10 C ATOM 1282 CD ARG A 89 13.712 4.908 1.437 1.00 -0.23 C ATOM 1283 NE ARG A 89 14.736 5.401 2.371 1.00 -0.32 N ATOM 1284 CZ ARG A 89 14.501 6.223 3.373 1.00 0.76 C ATOM 1285 NH1 ARG A 89 13.333 6.771 3.587 1.00 -0.62 N ATOM 1286 NH2 ARG A 89 15.475 6.516 4.201 1.00 -0.62 N ATOM 1287 H ARG A 89 13.416 3.275 3.706 1.00 0.25 H ATOM 1288 HA ARG A 89 12.873 1.286 1.541 1.00 0.05 H ATOM 1289 HB2 ARG A 89 15.475 2.759 2.196 1.00 0.06 H ATOM 1290 HB3 ARG A 89 15.144 1.716 0.805 1.00 0.06 H ATOM 1291 HG2 ARG A 89 15.041 3.964 0.018 1.00 0.07 H ATOM 1292 HG3 ARG A 89 13.381 3.311 -0.023 1.00 0.07 H ATOM 1293 HD2 ARG A 89 13.489 5.716 0.721 1.00 0.13 H ATOM 1294 HD3 ARG A 89 12.766 4.632 1.924 1.00 0.13 H ATOM 1295 HE ARG A 89 15.698 5.056 2.239 1.00 0.27 H ATOM 1296 HH11 ARG A 89 12.552 6.628 2.948 1.00 0.36 H ATOM 1297 HH12 ARG A 89 13.168 7.383 4.403 1.00 0.36 H ATOM 1298 HH21 ARG A 89 16.416 6.113 4.084 1.00 0.36 H ATOM 1299 HH22 ARG A 89 15.325 7.156 4.994 1.00 0.36 H ATOM 1300 N VAL A 90 14.967 0.806 4.132 1.00 -0.46 N ATOM 1301 CA VAL A 90 15.717 -0.253 4.814 1.00 0.04 C ATOM 1302 C VAL A 90 14.775 -1.061 5.675 1.00 0.62 C ATOM 1303 O VAL A 90 13.669 -0.643 5.987 1.00 -0.50 O ATOM 1304 CB VAL A 90 16.905 0.353 5.625 1.00 -0.01 C ATOM 1305 CG1 VAL A 90 17.703 -0.726 6.410 1.00 -0.09 C ATOM 1306 CG2 VAL A 90 17.870 1.124 4.678 1.00 -0.09 C ATOM 1307 OXT VAL A 90 15.222 -2.265 6.049 1.00 0.00 O ATOM 1308 H VAL A 90 14.976 1.722 4.531 1.00 0.25 H ATOM 1309 HA VAL A 90 16.151 -0.939 4.069 1.00 0.05 H ATOM 1310 HB VAL A 90 16.498 1.069 6.360 1.00 0.02 H ATOM 1311 HG11 VAL A 90 18.031 -1.531 5.736 1.00 0.03 H ATOM 1312 HG12 VAL A 90 18.595 -0.280 6.878 1.00 0.03 H ATOM 1313 HG13 VAL A 90 17.096 -1.162 7.217 1.00 0.03 H ATOM 1314 HG21 VAL A 90 18.680 1.597 5.255 1.00 0.03 H ATOM 1315 HG22 VAL A 90 18.322 0.435 3.951 1.00 0.03 H ATOM 1316 HG23 VAL A 90 17.350 1.917 4.121 1.00 0.03 H ATOM 1317 HXT VAL A 90 14.614 -2.739 6.607 1.00 0.00 H