ATOM 22 N ASP A 2 -1.217 -10.996 8.432 1.00 -0.46 N ATOM 23 CA ASP A 2 -0.080 -11.884 8.190 1.00 0.04 C ATOM 24 C ASP A 2 0.637 -11.566 6.892 1.00 0.62 C ATOM 25 O ASP A 2 1.146 -12.487 6.274 1.00 -0.50 O ATOM 26 CB ASP A 2 -0.673 -13.318 8.167 1.00 -0.40 C ATOM 27 CG ASP A 2 -1.637 -13.489 7.021 1.00 0.71 C ATOM 28 OD1 ASP A 2 -1.993 -12.465 6.371 1.00 -0.72 O ATOM 29 OD2 ASP A 2 -2.049 -14.648 6.756 1.00 -0.72 O ATOM 30 H ASP A 2 -1.829 -10.821 7.659 1.00 0.25 H ATOM 31 HA ASP A 2 0.682 -11.809 8.982 1.00 0.05 H ATOM 32 HB2 ASP A 2 0.132 -14.063 8.070 1.00 0.07 H ATOM 33 HB3 ASP A 2 -1.211 -13.510 9.108 1.00 0.07 H ATOM 34 N CYS A 3 0.698 -10.292 6.434 1.00 -0.46 N ATOM 35 CA CYS A 3 1.355 -9.973 5.157 1.00 0.04 C ATOM 36 C CYS A 3 0.527 -10.475 3.984 1.00 0.62 C ATOM 37 O CYS A 3 0.167 -9.669 3.141 1.00 -0.50 O ATOM 38 CB CYS A 3 2.815 -10.511 5.116 1.00 -0.10 C ATOM 39 SG CYS A 3 3.975 -9.606 4.034 1.00 0.82 S ATOM 40 H CYS A 3 0.270 -9.552 6.958 1.00 0.25 H ATOM 41 HA CYS A 3 1.436 -8.874 5.085 1.00 0.05 H ATOM 42 HB2 CYS A 3 3.251 -10.454 6.125 1.00 0.05 H ATOM 43 HB3 CYS A 3 2.849 -11.560 4.790 1.00 0.05 H ATOM 44 N GLY A 4 0.212 -11.787 3.878 1.00 -0.46 N ATOM 45 CA GLY A 4 -0.609 -12.265 2.764 1.00 0.04 C ATOM 46 C GLY A 4 -1.977 -11.620 2.748 1.00 0.62 C ATOM 47 O GLY A 4 -2.461 -11.249 1.690 1.00 -0.50 O ATOM 48 H GLY A 4 0.526 -12.462 4.548 1.00 0.25 H ATOM 49 HA2 GLY A 4 -0.071 -12.075 1.825 1.00 0.03 H ATOM 50 HA3 GLY A 4 -0.771 -13.353 2.839 1.00 0.03 H ATOM 51 N HIS A 5 -2.633 -11.481 3.920 1.00 -0.46 N ATOM 52 CA HIS A 5 -3.950 -10.840 3.957 1.00 0.04 C ATOM 53 C HIS A 5 -3.853 -9.446 3.374 1.00 0.62 C ATOM 54 O HIS A 5 -4.653 -9.094 2.522 1.00 -0.50 O ATOM 55 CB HIS A 5 -4.491 -10.810 5.410 1.00 -0.10 C ATOM 56 CG HIS A 5 -5.752 -9.999 5.531 1.00 0.06 C ATOM 57 ND1 HIS A 5 -6.861 -10.167 4.873 1.00 -0.06 N ATOM 58 CD2 HIS A 5 -5.948 -8.961 6.346 1.00 -0.04 C ATOM 59 CE1 HIS A 5 -7.761 -9.294 5.220 1.00 0.11 C ATOM 60 NE2 HIS A 5 -7.168 -8.570 6.123 1.00 -0.06 N ATOM 61 H HIS A 5 -2.224 -11.823 4.771 1.00 0.25 H ATOM 62 HA HIS A 5 -4.642 -11.437 3.340 1.00 0.05 H ATOM 63 HB2 HIS A 5 -4.686 -11.836 5.757 1.00 0.09 H ATOM 64 HB3 HIS A 5 -3.730 -10.366 6.069 1.00 0.09 H ATOM 65 HD1 HIS A 5 -7.011 -10.902 4.166 1.00 0.31 H ATOM 66 HD2 HIS A 5 -5.221 -8.549 7.042 1.00 0.15 H ATOM 67 HE1 HIS A 5 -8.780 -9.193 4.844 1.00 0.16 H ATOM 68 HE2 HIS A 5 -7.611 -7.773 6.612 1.00 0.31 H ATOM 69 N VAL A 6 -2.855 -8.640 3.795 1.00 -0.46 N ATOM 70 CA VAL A 6 -2.602 -7.368 3.108 1.00 0.04 C ATOM 71 C VAL A 6 -2.465 -7.625 1.623 1.00 0.62 C ATOM 72 O VAL A 6 -3.188 -7.028 0.840 1.00 -0.50 O ATOM 73 CB VAL A 6 -1.332 -6.665 3.686 1.00 -0.01 C ATOM 74 CG1 VAL A 6 -0.600 -5.756 2.660 1.00 -0.09 C ATOM 75 CG2 VAL A 6 -1.714 -5.857 4.955 1.00 -0.09 C ATOM 76 H VAL A 6 -2.252 -8.943 4.535 1.00 0.25 H ATOM 77 HA VAL A 6 -3.474 -6.705 3.238 1.00 0.05 H ATOM 78 HB VAL A 6 -0.590 -7.425 3.981 1.00 0.02 H ATOM 79 HG11 VAL A 6 -0.227 -6.324 1.794 1.00 0.03 H ATOM 80 HG12 VAL A 6 -1.277 -4.971 2.296 1.00 0.03 H ATOM 81 HG13 VAL A 6 0.273 -5.291 3.141 1.00 0.03 H ATOM 82 HG21 VAL A 6 -2.300 -6.476 5.654 1.00 0.03 H ATOM 83 HG22 VAL A 6 -0.811 -5.511 5.468 1.00 0.03 H ATOM 84 HG23 VAL A 6 -2.302 -4.970 4.688 1.00 0.03 H ATOM 85 N ASP A 7 -1.542 -8.524 1.215 1.00 -0.46 N ATOM 86 CA ASP A 7 -1.335 -8.762 -0.214 1.00 0.04 C ATOM 87 C ASP A 7 -2.625 -9.150 -0.919 1.00 0.62 C ATOM 88 O ASP A 7 -2.746 -8.920 -2.112 1.00 -0.50 O ATOM 89 CB ASP A 7 -0.241 -9.840 -0.435 1.00 -0.40 C ATOM 90 CG ASP A 7 0.168 -9.890 -1.880 1.00 0.71 C ATOM 91 OD1 ASP A 7 1.021 -9.058 -2.285 1.00 -0.72 O ATOM 92 OD2 ASP A 7 -0.368 -10.761 -2.618 1.00 -0.72 O ATOM 93 H ASP A 7 -0.982 -9.015 1.885 1.00 0.25 H ATOM 94 HA ASP A 7 -0.961 -7.817 -0.642 1.00 0.05 H ATOM 95 HB2 ASP A 7 0.653 -9.613 0.166 1.00 0.07 H ATOM 96 HB3 ASP A 7 -0.630 -10.823 -0.135 1.00 0.07 H ATOM 97 N SER A 8 -3.623 -9.733 -0.220 1.00 -0.46 N ATOM 98 CA SER A 8 -4.916 -9.980 -0.860 1.00 0.04 C ATOM 99 C SER A 8 -5.639 -8.670 -1.114 1.00 0.62 C ATOM 100 O SER A 8 -6.190 -8.490 -2.188 1.00 -0.50 O ATOM 101 CB SER A 8 -5.828 -10.907 -0.011 1.00 0.02 C ATOM 102 OG SER A 8 -5.245 -12.211 0.158 1.00 -0.55 O ATOM 103 H SER A 8 -3.504 -9.967 0.746 1.00 0.25 H ATOM 104 HA SER A 8 -4.745 -10.507 -1.814 1.00 0.05 H ATOM 105 HB2 SER A 8 -6.051 -10.455 0.968 1.00 0.12 H ATOM 106 HB3 SER A 8 -6.785 -11.053 -0.537 1.00 0.12 H ATOM 107 HG SER A 8 -4.411 -12.199 0.619 1.00 0.31 H ATOM 108 N LEU A 9 -5.667 -7.731 -0.138 1.00 -0.46 N ATOM 109 CA LEU A 9 -6.435 -6.495 -0.325 1.00 0.04 C ATOM 110 C LEU A 9 -5.802 -5.541 -1.319 1.00 0.62 C ATOM 111 O LEU A 9 -6.523 -4.752 -1.911 1.00 -0.50 O ATOM 112 CB LEU A 9 -6.656 -5.710 1.001 1.00 -0.06 C ATOM 113 CG LEU A 9 -7.237 -6.545 2.183 1.00 -0.01 C ATOM 114 CD1 LEU A 9 -7.703 -5.584 3.312 1.00 -0.11 C ATOM 115 CD2 LEU A 9 -8.418 -7.454 1.747 1.00 -0.11 C ATOM 116 H LEU A 9 -5.154 -7.868 0.712 1.00 0.25 H ATOM 117 HA LEU A 9 -7.426 -6.758 -0.732 1.00 0.05 H ATOM 118 HB2 LEU A 9 -5.693 -5.287 1.327 1.00 0.03 H ATOM 119 HB3 LEU A 9 -7.336 -4.869 0.783 1.00 0.03 H ATOM 120 HG LEU A 9 -6.446 -7.188 2.603 1.00 0.03 H ATOM 121 HD11 LEU A 9 -8.583 -5.024 2.970 1.00 0.03 H ATOM 122 HD12 LEU A 9 -7.981 -6.146 4.218 1.00 0.03 H ATOM 123 HD13 LEU A 9 -6.913 -4.863 3.572 1.00 0.03 H ATOM 124 HD21 LEU A 9 -8.877 -7.931 2.625 1.00 0.03 H ATOM 125 HD22 LEU A 9 -9.188 -6.859 1.232 1.00 0.03 H ATOM 126 HD23 LEU A 9 -8.073 -8.254 1.074 1.00 0.03 H ATOM 127 N VAL A 10 -4.467 -5.568 -1.525 1.00 -0.46 N ATOM 128 CA VAL A 10 -3.857 -4.645 -2.491 1.00 0.04 C ATOM 129 C VAL A 10 -4.196 -5.039 -3.915 1.00 0.62 C ATOM 130 O VAL A 10 -4.211 -4.160 -4.763 1.00 -0.50 O ATOM 131 CB VAL A 10 -2.306 -4.537 -2.376 1.00 -0.01 C ATOM 132 CG1 VAL A 10 -1.848 -4.248 -0.920 1.00 -0.09 C ATOM 133 CG2 VAL A 10 -1.612 -5.804 -2.943 1.00 -0.09 C ATOM 134 H VAL A 10 -3.904 -6.241 -1.042 1.00 0.25 H ATOM 135 HA VAL A 10 -4.263 -3.636 -2.304 1.00 0.05 H ATOM 136 HB VAL A 10 -1.965 -3.684 -2.992 1.00 0.02 H ATOM 137 HG11 VAL A 10 -2.152 -5.028 -0.215 1.00 0.03 H ATOM 138 HG12 VAL A 10 -0.757 -4.199 -0.872 1.00 0.03 H ATOM 139 HG13 VAL A 10 -2.246 -3.285 -0.576 1.00 0.03 H ATOM 140 HG21 VAL A 10 -2.081 -6.699 -2.533 1.00 0.03 H ATOM 141 HG22 VAL A 10 -1.678 -5.846 -4.041 1.00 0.03 H ATOM 142 HG23 VAL A 10 -0.555 -5.834 -2.661 1.00 0.03 H ATOM 143 N ARG A 11 -4.444 -6.339 -4.208 1.00 -0.46 N ATOM 144 CA ARG A 11 -4.615 -6.782 -5.595 1.00 0.04 C ATOM 145 C ARG A 11 -5.384 -5.813 -6.477 1.00 0.62 C ATOM 146 O ARG A 11 -4.831 -5.454 -7.506 1.00 -0.50 O ATOM 147 CB ARG A 11 -5.167 -8.228 -5.767 1.00 -0.08 C ATOM 148 CG ARG A 11 -4.364 -9.350 -5.041 1.00 -0.10 C ATOM 149 CD ARG A 11 -2.830 -9.305 -5.284 1.00 -0.23 C ATOM 150 NE ARG A 11 -2.178 -10.402 -4.559 1.00 -0.32 N ATOM 151 CZ ARG A 11 -2.071 -11.639 -4.995 1.00 0.76 C ATOM 152 NH1 ARG A 11 -2.581 -12.050 -6.129 1.00 -0.62 N ATOM 153 NH2 ARG A 11 -1.423 -12.511 -4.261 1.00 -0.62 N ATOM 154 H ARG A 11 -4.435 -7.031 -3.486 1.00 0.25 H ATOM 155 HA ARG A 11 -3.600 -6.800 -6.014 1.00 0.05 H ATOM 156 HB2 ARG A 11 -6.207 -8.265 -5.409 1.00 0.06 H ATOM 157 HB3 ARG A 11 -5.175 -8.460 -6.846 1.00 0.06 H ATOM 158 HG2 ARG A 11 -4.535 -9.299 -3.958 1.00 0.07 H ATOM 159 HG3 ARG A 11 -4.759 -10.324 -5.369 1.00 0.07 H ATOM 160 HD2 ARG A 11 -2.573 -9.269 -6.354 1.00 0.13 H ATOM 161 HD3 ARG A 11 -2.432 -8.374 -4.846 1.00 0.13 H ATOM 162 HE ARG A 11 -1.754 -10.166 -3.645 1.00 0.27 H ATOM 163 HH11 ARG A 11 -3.105 -11.418 -6.743 1.00 0.36 H ATOM 164 HH12 ARG A 11 -2.474 -13.027 -6.436 1.00 0.36 H ATOM 165 HH21 ARG A 11 -0.988 -12.229 -3.366 1.00 0.36 H ATOM 166 HH22 ARG A 11 -1.317 -13.490 -4.559 1.00 0.36 H ATOM 167 N PRO A 12 -6.618 -5.329 -6.179 1.00 -0.23 N ATOM 168 CA PRO A 12 -7.232 -4.354 -7.070 1.00 0.04 C ATOM 169 C PRO A 12 -6.307 -3.191 -7.355 1.00 0.53 C ATOM 170 O PRO A 12 -6.189 -2.803 -8.504 1.00 -0.50 O ATOM 171 CB PRO A 12 -8.499 -3.965 -6.259 1.00 -0.12 C ATOM 172 CG PRO A 12 -8.221 -4.454 -4.815 1.00 -0.12 C ATOM 173 CD PRO A 12 -7.391 -5.743 -5.017 1.00 -0.01 C ATOM 174 HA PRO A 12 -7.509 -4.844 -8.020 1.00 0.05 H ATOM 175 HB2 PRO A 12 -8.730 -2.888 -6.304 1.00 0.06 H ATOM 176 HB3 PRO A 12 -9.369 -4.522 -6.647 1.00 0.06 H ATOM 177 HG2 PRO A 12 -7.615 -3.706 -4.280 1.00 0.06 H ATOM 178 HG3 PRO A 12 -9.142 -4.628 -4.235 1.00 0.06 H ATOM 179 HD2 PRO A 12 -6.826 -6.006 -4.115 1.00 0.06 H ATOM 180 HD3 PRO A 12 -8.050 -6.580 -5.296 1.00 0.06 H ATOM 181 N CYS A 13 -5.615 -2.613 -6.351 1.00 -0.46 N ATOM 182 CA CYS A 13 -4.743 -1.469 -6.631 1.00 0.04 C ATOM 183 C CYS A 13 -3.626 -1.868 -7.579 1.00 0.62 C ATOM 184 O CYS A 13 -3.347 -1.128 -8.510 1.00 -0.50 O ATOM 185 CB CYS A 13 -4.171 -0.897 -5.305 1.00 -0.10 C ATOM 186 SG CYS A 13 -5.507 -0.562 -4.106 1.00 0.82 S ATOM 187 H CYS A 13 -5.641 -3.014 -5.435 1.00 0.25 H ATOM 188 HA CYS A 13 -5.333 -0.678 -7.120 1.00 0.05 H ATOM 189 HB2 CYS A 13 -3.481 -1.618 -4.840 1.00 0.05 H ATOM 190 HB3 CYS A 13 -3.627 0.040 -5.488 1.00 0.05 H ATOM 191 N LEU A 14 -2.992 -3.041 -7.342 1.00 -0.46 N ATOM 192 CA LEU A 14 -1.858 -3.506 -8.159 1.00 0.04 C ATOM 193 C LEU A 14 -1.953 -3.088 -9.622 1.00 0.62 C ATOM 194 O LEU A 14 -0.996 -2.567 -10.172 1.00 -0.50 O ATOM 195 CB LEU A 14 -1.744 -5.063 -8.076 1.00 -0.06 C ATOM 196 CG LEU A 14 -0.333 -5.699 -8.281 1.00 -0.01 C ATOM 197 CD1 LEU A 14 0.369 -5.228 -9.579 1.00 -0.11 C ATOM 198 CD2 LEU A 14 0.604 -5.484 -7.058 1.00 -0.11 C ATOM 199 H LEU A 14 -3.270 -3.577 -6.542 1.00 0.25 H ATOM 200 HA LEU A 14 -0.957 -3.067 -7.708 1.00 0.05 H ATOM 201 HB2 LEU A 14 -2.049 -5.398 -7.076 1.00 0.03 H ATOM 202 HB3 LEU A 14 -2.454 -5.507 -8.794 1.00 0.03 H ATOM 203 HG LEU A 14 -0.489 -6.790 -8.369 1.00 0.03 H ATOM 204 HD11 LEU A 14 1.233 -5.874 -9.792 1.00 0.03 H ATOM 205 HD12 LEU A 14 -0.317 -5.269 -10.440 1.00 0.03 H ATOM 206 HD13 LEU A 14 0.736 -4.202 -9.446 1.00 0.03 H ATOM 207 HD21 LEU A 14 0.126 -5.853 -6.139 1.00 0.03 H ATOM 208 HD22 LEU A 14 1.545 -6.039 -7.195 1.00 0.03 H ATOM 209 HD23 LEU A 14 0.852 -4.422 -6.924 1.00 0.03 H ATOM 210 N SER A 15 -3.105 -3.310 -10.295 1.00 -0.46 N ATOM 211 CA SER A 15 -3.174 -3.032 -11.735 1.00 0.04 C ATOM 212 C SER A 15 -2.998 -1.558 -12.046 1.00 0.62 C ATOM 213 O SER A 15 -2.084 -1.205 -12.775 1.00 -0.50 O ATOM 214 CB SER A 15 -4.501 -3.544 -12.361 1.00 0.02 C ATOM 215 OG SER A 15 -4.554 -4.981 -12.388 1.00 -0.55 O ATOM 216 H SER A 15 -3.906 -3.679 -9.819 1.00 0.25 H ATOM 217 HA SER A 15 -2.362 -3.588 -12.234 1.00 0.05 H ATOM 218 HB2 SER A 15 -5.364 -3.143 -11.811 1.00 0.12 H ATOM 219 HB3 SER A 15 -4.575 -3.204 -13.406 1.00 0.12 H ATOM 220 HG SER A 15 -4.514 -5.376 -11.523 1.00 0.31 H ATOM 221 N TYR A 16 -3.861 -0.669 -11.507 1.00 -0.46 N ATOM 222 CA TYR A 16 -3.713 0.766 -11.784 1.00 0.04 C ATOM 223 C TYR A 16 -2.318 1.167 -11.359 1.00 0.62 C ATOM 224 O TYR A 16 -1.604 1.827 -12.100 1.00 -0.50 O ATOM 225 CB TYR A 16 -4.804 1.591 -11.033 1.00 -0.10 C ATOM 226 CG TYR A 16 -4.943 3.056 -11.498 1.00 -0.03 C ATOM 227 CD1 TYR A 16 -3.863 3.946 -11.443 1.00 0.00 C ATOM 228 CD2 TYR A 16 -6.171 3.536 -11.974 1.00 0.00 C ATOM 229 CE1 TYR A 16 -3.988 5.266 -11.880 1.00 -0.26 C ATOM 230 CE2 TYR A 16 -6.302 4.856 -12.416 1.00 -0.26 C ATOM 231 CZ TYR A 16 -5.212 5.727 -12.376 1.00 0.46 C ATOM 232 OH TYR A 16 -5.366 7.041 -12.823 1.00 -0.53 O ATOM 233 H TYR A 16 -4.577 -0.985 -10.886 1.00 0.25 H ATOM 234 HA TYR A 16 -3.825 0.932 -12.864 1.00 0.05 H ATOM 235 HB2 TYR A 16 -5.767 1.081 -11.189 1.00 0.04 H ATOM 236 HB3 TYR A 16 -4.609 1.586 -9.950 1.00 0.04 H ATOM 237 HD1 TYR A 16 -2.908 3.629 -11.052 1.00 0.06 H ATOM 238 HD2 TYR A 16 -7.043 2.891 -12.003 1.00 0.06 H ATOM 239 HE1 TYR A 16 -3.131 5.929 -11.829 1.00 0.10 H ATOM 240 HE2 TYR A 16 -7.255 5.210 -12.794 1.00 0.10 H ATOM 241 HH TYR A 16 -4.541 7.474 -13.012 1.00 0.33 H ATOM 242 N VAL A 17 -1.931 0.739 -10.139 1.00 -0.46 N ATOM 243 CA VAL A 17 -0.618 1.081 -9.592 1.00 0.04 C ATOM 244 C VAL A 17 0.496 0.887 -10.596 1.00 0.62 C ATOM 245 O VAL A 17 1.340 1.763 -10.703 1.00 -0.50 O ATOM 246 CB VAL A 17 -0.361 0.230 -8.317 1.00 -0.01 C ATOM 247 CG1 VAL A 17 1.132 0.174 -7.906 1.00 -0.09 C ATOM 248 CG2 VAL A 17 -1.213 0.762 -7.142 1.00 -0.09 C ATOM 249 H VAL A 17 -2.558 0.181 -9.593 1.00 0.25 H ATOM 250 HA VAL A 17 -0.632 2.144 -9.305 1.00 0.05 H ATOM 251 HB VAL A 17 -0.663 -0.804 -8.523 1.00 0.02 H ATOM 252 HG11 VAL A 17 1.549 1.190 -7.836 1.00 0.03 H ATOM 253 HG12 VAL A 17 1.254 -0.335 -6.938 1.00 0.03 H ATOM 254 HG13 VAL A 17 1.686 -0.405 -8.656 1.00 0.03 H ATOM 255 HG21 VAL A 17 -2.263 0.932 -7.415 1.00 0.03 H ATOM 256 HG22 VAL A 17 -1.190 0.017 -6.337 1.00 0.03 H ATOM 257 HG23 VAL A 17 -0.791 1.716 -6.795 1.00 0.03 H ATOM 258 N GLN A 18 0.533 -0.242 -11.339 1.00 -0.46 N ATOM 259 CA GLN A 18 1.615 -0.417 -12.308 1.00 0.04 C ATOM 260 C GLN A 18 1.687 0.788 -13.221 1.00 0.62 C ATOM 261 O GLN A 18 2.766 1.341 -13.374 1.00 -0.50 O ATOM 262 CB GLN A 18 1.488 -1.707 -13.165 1.00 -0.10 C ATOM 263 CG GLN A 18 1.877 -2.968 -12.347 1.00 -0.10 C ATOM 264 CD GLN A 18 1.712 -4.257 -13.114 1.00 0.68 C ATOM 265 OE1 GLN A 18 1.089 -4.270 -14.163 1.00 -0.47 O ATOM 266 NE2 GLN A 18 2.261 -5.379 -12.606 1.00 -0.87 N ATOM 267 H GLN A 18 -0.166 -0.954 -11.234 1.00 0.25 H ATOM 268 HA GLN A 18 2.561 -0.472 -11.747 1.00 0.05 H ATOM 269 HB2 GLN A 18 0.459 -1.791 -13.550 1.00 0.04 H ATOM 270 HB3 GLN A 18 2.173 -1.647 -14.027 1.00 0.04 H ATOM 271 HG2 GLN A 18 2.926 -2.884 -12.019 1.00 0.06 H ATOM 272 HG3 GLN A 18 1.240 -3.024 -11.456 1.00 0.06 H ATOM 273 HE21 GLN A 18 2.779 -5.363 -11.752 1.00 0.34 H ATOM 274 HE22 GLN A 18 2.153 -6.242 -13.100 1.00 0.34 H ATOM 275 N GLY A 19 0.560 1.220 -13.831 1.00 -0.46 N ATOM 276 CA GLY A 19 0.639 2.381 -14.714 1.00 0.04 C ATOM 277 C GLY A 19 -0.646 2.831 -15.379 1.00 0.62 C ATOM 278 O GLY A 19 -0.622 3.029 -16.583 1.00 -0.50 O ATOM 279 H GLY A 19 -0.316 0.761 -13.674 1.00 0.25 H ATOM 280 HA2 GLY A 19 1.008 3.242 -14.138 1.00 0.03 H ATOM 281 HA3 GLY A 19 1.381 2.164 -15.500 1.00 0.03 H ATOM 282 N GLY A 20 -1.761 3.040 -14.637 1.00 -0.46 N ATOM 283 CA GLY A 20 -2.929 3.713 -15.216 1.00 0.04 C ATOM 284 C GLY A 20 -4.203 2.922 -15.434 1.00 0.62 C ATOM 285 O GLY A 20 -5.238 3.568 -15.355 1.00 -0.50 O ATOM 286 H GLY A 20 -1.791 2.800 -13.664 1.00 0.25 H ATOM 287 HA2 GLY A 20 -3.167 4.553 -14.543 1.00 0.03 H ATOM 288 HA3 GLY A 20 -2.697 4.166 -16.192 1.00 0.03 H ATOM 289 N PRO A 21 -4.260 1.601 -15.746 1.00 -0.23 N ATOM 290 CA PRO A 21 -5.547 1.005 -16.095 1.00 0.04 C ATOM 291 C PRO A 21 -6.427 0.882 -14.875 1.00 0.53 C ATOM 292 O PRO A 21 -6.041 1.344 -13.816 1.00 -0.50 O ATOM 293 CB PRO A 21 -5.073 -0.361 -16.653 1.00 -0.12 C ATOM 294 CG PRO A 21 -3.786 -0.644 -15.848 1.00 -0.12 C ATOM 295 CD PRO A 21 -3.089 0.736 -15.792 1.00 -0.01 C ATOM 296 HA PRO A 21 -6.077 1.585 -16.869 1.00 0.05 H ATOM 297 HB2 PRO A 21 -5.817 -1.167 -16.561 1.00 0.06 H ATOM 298 HB3 PRO A 21 -4.800 -0.249 -17.716 1.00 0.06 H ATOM 299 HG2 PRO A 21 -4.076 -0.958 -14.831 1.00 0.06 H ATOM 300 HG3 PRO A 21 -3.153 -1.427 -16.296 1.00 0.06 H ATOM 301 HD2 PRO A 21 -2.447 0.764 -14.903 1.00 0.06 H ATOM 302 HD3 PRO A 21 -2.502 0.936 -16.703 1.00 0.06 H ATOM 303 N GLY A 22 -7.626 0.273 -14.989 1.00 -0.46 N ATOM 304 CA GLY A 22 -8.481 0.135 -13.810 1.00 0.04 C ATOM 305 C GLY A 22 -7.814 -0.664 -12.711 1.00 0.62 C ATOM 306 O GLY A 22 -6.731 -1.177 -12.947 1.00 -0.50 O ATOM 307 H GLY A 22 -7.946 -0.083 -15.871 1.00 0.25 H ATOM 308 HA2 GLY A 22 -8.738 1.138 -13.432 1.00 0.03 H ATOM 309 HA3 GLY A 22 -9.410 -0.383 -14.098 1.00 0.03 H ATOM 310 N PRO A 23 -8.410 -0.826 -11.501 1.00 -0.23 N ATOM 311 CA PRO A 23 -9.706 -0.258 -11.162 1.00 0.04 C ATOM 312 C PRO A 23 -9.560 1.000 -10.338 1.00 0.53 C ATOM 313 O PRO A 23 -8.457 1.459 -10.092 1.00 -0.50 O ATOM 314 CB PRO A 23 -10.162 -1.395 -10.213 1.00 -0.12 C ATOM 315 CG PRO A 23 -8.880 -1.719 -9.410 1.00 -0.12 C ATOM 316 CD PRO A 23 -7.763 -1.625 -10.478 1.00 -0.01 C ATOM 317 HA PRO A 23 -10.418 -0.131 -11.992 1.00 0.05 H ATOM 318 HB2 PRO A 23 -11.010 -1.131 -9.560 1.00 0.06 H ATOM 319 HB3 PRO A 23 -10.446 -2.276 -10.814 1.00 0.06 H ATOM 320 HG2 PRO A 23 -8.729 -0.953 -8.633 1.00 0.06 H ATOM 321 HG3 PRO A 23 -8.933 -2.706 -8.924 1.00 0.06 H ATOM 322 HD2 PRO A 23 -6.862 -1.114 -10.106 1.00 0.06 H ATOM 323 HD3 PRO A 23 -7.518 -2.627 -10.865 1.00 0.06 H ATOM 324 N SER A 24 -10.708 1.530 -9.870 1.00 -0.46 N ATOM 325 CA SER A 24 -10.717 2.578 -8.851 1.00 0.04 C ATOM 326 C SER A 24 -11.905 2.297 -7.957 1.00 0.62 C ATOM 327 O SER A 24 -12.665 1.402 -8.294 1.00 -0.50 O ATOM 328 CB SER A 24 -10.811 3.955 -9.551 1.00 0.02 C ATOM 329 OG SER A 24 -11.966 4.019 -10.404 1.00 -0.55 O ATOM 330 H SER A 24 -11.594 1.185 -10.185 1.00 0.25 H ATOM 331 HA SER A 24 -9.814 2.536 -8.220 1.00 0.05 H ATOM 332 HB2 SER A 24 -10.825 4.773 -8.812 1.00 0.12 H ATOM 333 HB3 SER A 24 -9.922 4.083 -10.190 1.00 0.12 H ATOM 334 HG SER A 24 -12.789 3.933 -9.932 1.00 0.31 H ATOM 335 N GLY A 25 -12.111 2.992 -6.818 1.00 -0.46 N ATOM 336 CA GLY A 25 -13.250 2.635 -5.968 1.00 0.04 C ATOM 337 C GLY A 25 -12.964 1.333 -5.250 1.00 0.62 C ATOM 338 O GLY A 25 -12.754 1.366 -4.048 1.00 -0.50 O ATOM 339 H GLY A 25 -11.486 3.720 -6.530 1.00 0.25 H ATOM 340 HA2 GLY A 25 -13.444 3.436 -5.237 1.00 0.03 H ATOM 341 HA3 GLY A 25 -14.165 2.523 -6.571 1.00 0.03 H ATOM 342 N GLN A 26 -12.916 0.177 -5.953 1.00 -0.46 N ATOM 343 CA GLN A 26 -12.533 -1.073 -5.289 1.00 0.04 C ATOM 344 C GLN A 26 -11.189 -0.871 -4.623 1.00 0.62 C ATOM 345 O GLN A 26 -11.039 -1.154 -3.445 1.00 -0.50 O ATOM 346 CB GLN A 26 -12.412 -2.275 -6.268 1.00 -0.10 C ATOM 347 CG GLN A 26 -13.782 -2.711 -6.853 1.00 -0.10 C ATOM 348 CD GLN A 26 -13.588 -3.852 -7.823 1.00 0.68 C ATOM 349 OE1 GLN A 26 -13.661 -3.637 -9.022 1.00 -0.47 O ATOM 350 NE2 GLN A 26 -13.326 -5.083 -7.339 1.00 -0.87 N ATOM 351 H GLN A 26 -13.103 0.175 -6.937 1.00 0.25 H ATOM 352 HA GLN A 26 -13.284 -1.313 -4.518 1.00 0.05 H ATOM 353 HB2 GLN A 26 -11.734 -2.014 -7.097 1.00 0.04 H ATOM 354 HB3 GLN A 26 -11.971 -3.129 -5.727 1.00 0.04 H ATOM 355 HG2 GLN A 26 -14.456 -3.033 -6.044 1.00 0.06 H ATOM 356 HG3 GLN A 26 -14.266 -1.874 -7.379 1.00 0.06 H ATOM 357 HE21 GLN A 26 -13.270 -5.259 -6.357 1.00 0.34 H ATOM 358 HE22 GLN A 26 -13.193 -5.838 -7.982 1.00 0.34 H ATOM 359 N CYS A 27 -10.182 -0.355 -5.364 1.00 -0.46 N ATOM 360 CA CYS A 27 -8.905 -0.065 -4.719 1.00 0.04 C ATOM 361 C CYS A 27 -9.135 0.893 -3.571 1.00 0.62 C ATOM 362 O CYS A 27 -8.550 0.672 -2.523 1.00 -0.50 O ATOM 363 CB CYS A 27 -7.875 0.528 -5.714 1.00 -0.10 C ATOM 364 SG CYS A 27 -6.386 1.116 -4.836 1.00 0.82 S ATOM 365 H CYS A 27 -10.310 -0.138 -6.334 1.00 0.25 H ATOM 366 HA CYS A 27 -8.495 -1.010 -4.322 1.00 0.05 H ATOM 367 HB2 CYS A 27 -7.609 -0.223 -6.472 1.00 0.05 H ATOM 368 HB3 CYS A 27 -8.310 1.402 -6.223 1.00 0.05 H ATOM 369 N CYS A 28 -9.960 1.955 -3.731 1.00 -0.46 N ATOM 370 CA CYS A 28 -10.184 2.877 -2.616 1.00 0.04 C ATOM 371 C CYS A 28 -10.717 2.146 -1.402 1.00 0.62 C ATOM 372 O CYS A 28 -10.272 2.444 -0.304 1.00 -0.50 O ATOM 373 CB CYS A 28 -11.125 4.058 -2.961 1.00 -0.10 C ATOM 374 SG CYS A 28 -11.035 5.260 -1.589 1.00 0.82 S ATOM 375 H CYS A 28 -10.424 2.116 -4.601 1.00 0.25 H ATOM 376 HA CYS A 28 -9.212 3.329 -2.371 1.00 0.05 H ATOM 377 HB2 CYS A 28 -10.787 4.539 -3.892 1.00 0.05 H ATOM 378 HB3 CYS A 28 -12.165 3.725 -3.083 1.00 0.05 H ATOM 379 N ASP A 29 -11.651 1.184 -1.572 1.00 -0.46 N ATOM 380 CA ASP A 29 -12.083 0.387 -0.427 1.00 0.04 C ATOM 381 C ASP A 29 -10.855 -0.282 0.156 1.00 0.62 C ATOM 382 O ASP A 29 -10.624 -0.210 1.353 1.00 -0.50 O ATOM 383 CB ASP A 29 -13.173 -0.645 -0.821 1.00 -0.40 C ATOM 384 CG ASP A 29 -13.644 -1.383 0.402 1.00 0.71 C ATOM 385 OD1 ASP A 29 -14.529 -0.849 1.123 1.00 -0.72 O ATOM 386 OD2 ASP A 29 -13.124 -2.497 0.670 1.00 -0.72 O ATOM 387 H ASP A 29 -12.021 0.973 -2.479 1.00 0.25 H ATOM 388 HA ASP A 29 -12.523 1.073 0.312 1.00 0.05 H ATOM 389 HB2 ASP A 29 -14.031 -0.127 -1.278 1.00 0.07 H ATOM 390 HB3 ASP A 29 -12.781 -1.367 -1.552 1.00 0.07 H ATOM 391 N GLY A 30 -10.024 -0.910 -0.705 1.00 -0.46 N ATOM 392 CA GLY A 30 -8.760 -1.459 -0.223 1.00 0.04 C ATOM 393 C GLY A 30 -7.953 -0.420 0.524 1.00 0.62 C ATOM 394 O GLY A 30 -7.373 -0.757 1.541 1.00 -0.50 O ATOM 395 H GLY A 30 -10.248 -0.991 -1.680 1.00 0.25 H ATOM 396 HA2 GLY A 30 -8.973 -2.319 0.430 1.00 0.03 H ATOM 397 HA3 GLY A 30 -8.141 -1.817 -1.062 1.00 0.03 H ATOM 398 N VAL A 31 -7.878 0.848 0.059 1.00 -0.46 N ATOM 399 CA VAL A 31 -7.054 1.839 0.756 1.00 0.04 C ATOM 400 C VAL A 31 -7.532 2.023 2.178 1.00 0.62 C ATOM 401 O VAL A 31 -6.752 1.814 3.095 1.00 -0.50 O ATOM 402 CB VAL A 31 -6.948 3.220 0.042 1.00 -0.01 C ATOM 403 CG1 VAL A 31 -6.053 4.183 0.875 1.00 -0.09 C ATOM 404 CG2 VAL A 31 -6.355 3.069 -1.387 1.00 -0.09 C ATOM 405 H VAL A 31 -8.375 1.107 -0.766 1.00 0.25 H ATOM 406 HA VAL A 31 -6.029 1.445 0.806 1.00 0.05 H ATOM 407 HB VAL A 31 -7.949 3.673 -0.045 1.00 0.02 H ATOM 408 HG11 VAL A 31 -5.040 3.774 0.994 1.00 0.03 H ATOM 409 HG12 VAL A 31 -5.974 5.154 0.371 1.00 0.03 H ATOM 410 HG13 VAL A 31 -6.471 4.361 1.877 1.00 0.03 H ATOM 411 HG21 VAL A 31 -6.111 4.050 -1.821 1.00 0.03 H ATOM 412 HG22 VAL A 31 -5.446 2.464 -1.335 1.00 0.03 H ATOM 413 HG23 VAL A 31 -7.031 2.560 -2.080 1.00 0.03 H ATOM 414 N LYS A 32 -8.805 2.422 2.402 1.00 -0.46 N ATOM 415 CA LYS A 32 -9.247 2.610 3.785 1.00 0.04 C ATOM 416 C LYS A 32 -9.011 1.339 4.574 1.00 0.62 C ATOM 417 O LYS A 32 -8.637 1.426 5.732 1.00 -0.50 O ATOM 418 CB LYS A 32 -10.720 3.088 3.941 1.00 -0.10 C ATOM 419 CG LYS A 32 -11.752 2.019 3.501 1.00 -0.16 C ATOM 420 CD LYS A 32 -13.218 2.442 3.783 1.00 -0.18 C ATOM 421 CE LYS A 32 -14.241 1.485 3.106 1.00 -0.04 C ATOM 422 NZ LYS A 32 -14.000 0.048 3.389 1.00 -0.14 N ATOM 423 H LYS A 32 -9.439 2.585 1.643 1.00 0.25 H ATOM 424 HA LYS A 32 -8.610 3.401 4.214 1.00 0.05 H ATOM 425 HB2 LYS A 32 -10.900 3.331 5.002 1.00 0.04 H ATOM 426 HB3 LYS A 32 -10.868 4.005 3.349 1.00 0.04 H ATOM 427 HG2 LYS A 32 -11.624 1.828 2.427 1.00 0.12 H ATOM 428 HG3 LYS A 32 -11.564 1.092 4.059 1.00 0.12 H ATOM 429 HD2 LYS A 32 -13.385 2.455 4.873 1.00 0.12 H ATOM 430 HD3 LYS A 32 -13.386 3.465 3.404 1.00 0.12 H ATOM 431 HE2 LYS A 32 -15.254 1.761 3.448 1.00 0.10 H ATOM 432 HE3 LYS A 32 -14.210 1.649 2.016 1.00 0.10 H ATOM 433 HZ1 LYS A 32 -13.089 -0.346 2.958 1.00 0.29 H ATOM 434 HZ2 LYS A 32 -13.992 -0.183 4.444 1.00 0.29 H ATOM 435 HZ3 LYS A 32 -14.756 -0.563 2.909 1.00 0.29 H ATOM 436 N ASN A 33 -9.215 0.144 3.970 1.00 -0.46 N ATOM 437 CA ASN A 33 -8.994 -1.094 4.717 1.00 0.04 C ATOM 438 C ASN A 33 -7.526 -1.226 5.074 1.00 0.62 C ATOM 439 O ASN A 33 -7.204 -1.511 6.216 1.00 -0.50 O ATOM 440 CB ASN A 33 -9.434 -2.336 3.896 1.00 -0.09 C ATOM 441 CG ASN A 33 -10.853 -2.252 3.384 1.00 0.68 C ATOM 442 OD1 ASN A 33 -11.626 -1.423 3.837 1.00 -0.47 O ATOM 443 ND2 ASN A 33 -11.231 -3.112 2.418 1.00 -0.87 N ATOM 444 H ASN A 33 -9.509 0.089 3.012 1.00 0.25 H ATOM 445 HA ASN A 33 -9.603 -1.062 5.636 1.00 0.05 H ATOM 446 HB2 ASN A 33 -8.761 -2.452 3.034 1.00 0.04 H ATOM 447 HB3 ASN A 33 -9.348 -3.233 4.529 1.00 0.04 H ATOM 448 HD21 ASN A 33 -10.607 -3.796 2.045 1.00 0.34 H ATOM 449 HD22 ASN A 33 -12.158 -3.049 2.040 1.00 0.34 H ATOM 450 N LEU A 34 -6.613 -1.009 4.102 1.00 -0.46 N ATOM 451 CA LEU A 34 -5.178 -1.118 4.376 1.00 0.04 C ATOM 452 C LEU A 34 -4.826 -0.177 5.510 1.00 0.62 C ATOM 453 O LEU A 34 -4.212 -0.605 6.474 1.00 -0.50 O ATOM 454 CB LEU A 34 -4.349 -0.819 3.091 1.00 -0.06 C ATOM 455 CG LEU A 34 -4.481 -1.940 2.009 1.00 -0.01 C ATOM 456 CD1 LEU A 34 -4.205 -1.388 0.583 1.00 -0.11 C ATOM 457 CD2 LEU A 34 -3.521 -3.126 2.300 1.00 -0.11 C ATOM 458 H LEU A 34 -6.915 -0.745 3.188 1.00 0.25 H ATOM 459 HA LEU A 34 -4.960 -2.144 4.706 1.00 0.05 H ATOM 460 HB2 LEU A 34 -4.690 0.145 2.685 1.00 0.03 H ATOM 461 HB3 LEU A 34 -3.290 -0.699 3.357 1.00 0.03 H ATOM 462 HG LEU A 34 -5.506 -2.348 2.011 1.00 0.03 H ATOM 463 HD11 LEU A 34 -4.903 -0.578 0.336 1.00 0.03 H ATOM 464 HD12 LEU A 34 -3.179 -1.000 0.506 1.00 0.03 H ATOM 465 HD13 LEU A 34 -4.351 -2.179 -0.166 1.00 0.03 H ATOM 466 HD21 LEU A 34 -3.634 -3.912 1.539 1.00 0.03 H ATOM 467 HD22 LEU A 34 -2.478 -2.781 2.294 1.00 0.03 H ATOM 468 HD23 LEU A 34 -3.735 -3.574 3.278 1.00 0.03 H ATOM 469 N HIS A 35 -5.235 1.109 5.427 1.00 -0.46 N ATOM 470 CA HIS A 35 -5.033 2.018 6.559 1.00 0.04 C ATOM 471 C HIS A 35 -5.648 1.453 7.824 1.00 0.62 C ATOM 472 O HIS A 35 -5.019 1.508 8.870 1.00 -0.50 O ATOM 473 CB HIS A 35 -5.656 3.413 6.269 1.00 -0.10 C ATOM 474 CG HIS A 35 -5.782 4.246 7.520 1.00 0.06 C ATOM 475 ND1 HIS A 35 -6.753 4.135 8.379 1.00 -0.06 N ATOM 476 CD2 HIS A 35 -4.982 5.213 7.980 1.00 -0.04 C ATOM 477 CE1 HIS A 35 -6.623 4.966 9.368 1.00 0.11 C ATOM 478 NE2 HIS A 35 -5.527 5.611 9.093 1.00 -0.06 N ATOM 479 H HIS A 35 -5.713 1.436 4.607 1.00 0.25 H ATOM 480 HA HIS A 35 -3.951 2.144 6.729 1.00 0.05 H ATOM 481 HB2 HIS A 35 -5.050 3.930 5.512 1.00 0.09 H ATOM 482 HB3 HIS A 35 -6.669 3.301 5.856 1.00 0.09 H ATOM 483 HD1 HIS A 35 -7.538 3.472 8.285 1.00 0.31 H ATOM 484 HD2 HIS A 35 -4.067 5.599 7.537 1.00 0.15 H ATOM 485 HE1 HIS A 35 -7.282 5.094 10.228 1.00 0.16 H ATOM 486 HE2 HIS A 35 -5.136 6.359 9.687 1.00 0.31 H ATOM 487 N ASN A 36 -6.891 0.927 7.759 1.00 -0.46 N ATOM 488 CA ASN A 36 -7.541 0.424 8.971 1.00 0.04 C ATOM 489 C ASN A 36 -6.667 -0.617 9.636 1.00 0.62 C ATOM 490 O ASN A 36 -6.443 -0.529 10.834 1.00 -0.50 O ATOM 491 CB ASN A 36 -8.934 -0.199 8.674 1.00 -0.09 C ATOM 492 CG ASN A 36 -9.711 -0.560 9.916 1.00 0.68 C ATOM 493 OD1 ASN A 36 -9.289 -0.245 11.016 1.00 -0.47 O ATOM 494 ND2 ASN A 36 -10.873 -1.226 9.767 1.00 -0.87 N ATOM 495 H ASN A 36 -7.385 0.893 6.889 1.00 0.25 H ATOM 496 HA ASN A 36 -7.680 1.278 9.655 1.00 0.05 H ATOM 497 HB2 ASN A 36 -9.545 0.518 8.102 1.00 0.04 H ATOM 498 HB3 ASN A 36 -8.817 -1.113 8.075 1.00 0.04 H ATOM 499 HD21 ASN A 36 -11.216 -1.482 8.863 1.00 0.34 H ATOM 500 HD22 ASN A 36 -11.400 -1.469 10.581 1.00 0.34 H ATOM 501 N GLN A 37 -6.151 -1.603 8.866 1.00 -0.46 N ATOM 502 CA GLN A 37 -5.335 -2.673 9.450 1.00 0.04 C ATOM 503 C GLN A 37 -3.865 -2.306 9.496 1.00 0.62 C ATOM 504 O GLN A 37 -3.022 -3.100 9.110 1.00 -0.50 O ATOM 505 CB GLN A 37 -5.670 -4.046 8.790 1.00 -0.10 C ATOM 506 CG GLN A 37 -5.216 -4.215 7.311 1.00 -0.10 C ATOM 507 CD GLN A 37 -5.669 -5.518 6.700 1.00 0.68 C ATOM 508 OE1 GLN A 37 -6.396 -6.277 7.321 1.00 -0.47 O ATOM 509 NE2 GLN A 37 -5.254 -5.806 5.450 1.00 -0.87 N ATOM 510 H GLN A 37 -6.306 -1.589 7.877 1.00 0.25 H ATOM 511 HA GLN A 37 -5.614 -2.803 10.511 1.00 0.05 H ATOM 512 HB2 GLN A 37 -5.209 -4.849 9.386 1.00 0.04 H ATOM 513 HB3 GLN A 37 -6.764 -4.176 8.837 1.00 0.04 H ATOM 514 HG2 GLN A 37 -5.642 -3.428 6.680 1.00 0.06 H ATOM 515 HG3 GLN A 37 -4.121 -4.164 7.227 1.00 0.06 H ATOM 516 HE21 GLN A 37 -4.694 -5.156 4.944 1.00 0.34 H ATOM 517 HE22 GLN A 37 -5.515 -6.665 5.015 1.00 0.34 H ATOM 518 N ALA A 38 -3.537 -1.091 9.996 1.00 -0.46 N ATOM 519 CA ALA A 38 -2.145 -0.653 10.083 1.00 0.04 C ATOM 520 C ALA A 38 -1.961 0.242 11.289 1.00 0.62 C ATOM 521 O ALA A 38 -1.552 1.381 11.130 1.00 -0.50 O ATOM 522 CB ALA A 38 -1.775 0.043 8.752 1.00 -0.10 C ATOM 523 H ALA A 38 -4.241 -0.446 10.291 1.00 0.25 H ATOM 524 HA ALA A 38 -1.464 -1.502 10.219 1.00 0.05 H ATOM 525 HB1 ALA A 38 -1.923 -0.665 7.922 1.00 0.04 H ATOM 526 HB2 ALA A 38 -2.414 0.923 8.586 1.00 0.04 H ATOM 527 HB3 ALA A 38 -0.722 0.363 8.765 1.00 0.04 H ATOM 528 N ARG A 39 -2.273 -0.260 12.507 1.00 -0.46 N ATOM 529 CA ARG A 39 -2.208 0.578 13.708 1.00 0.04 C ATOM 530 C ARG A 39 -1.456 -0.116 14.826 1.00 0.62 C ATOM 531 O ARG A 39 -1.840 -0.008 15.980 1.00 -0.50 O ATOM 532 CB ARG A 39 -3.650 0.994 14.118 1.00 -0.08 C ATOM 533 CG ARG A 39 -4.409 1.822 13.036 1.00 -0.10 C ATOM 534 CD ARG A 39 -3.884 3.278 12.860 1.00 -0.23 C ATOM 535 NE ARG A 39 -4.114 4.104 14.053 1.00 -0.32 N ATOM 536 CZ ARG A 39 -3.660 5.330 14.202 1.00 0.76 C ATOM 537 NH1 ARG A 39 -2.968 5.950 13.279 1.00 -0.62 N ATOM 538 NH2 ARG A 39 -3.909 5.970 15.319 1.00 -0.62 N ATOM 539 H ARG A 39 -2.588 -1.211 12.607 1.00 0.25 H ATOM 540 HA ARG A 39 -1.601 1.481 13.546 1.00 0.05 H ATOM 541 HB2 ARG A 39 -4.211 0.064 14.306 1.00 0.06 H ATOM 542 HB3 ARG A 39 -3.618 1.561 15.061 1.00 0.06 H ATOM 543 HG2 ARG A 39 -4.355 1.294 12.072 1.00 0.07 H ATOM 544 HG3 ARG A 39 -5.475 1.876 13.312 1.00 0.07 H ATOM 545 HD2 ARG A 39 -2.814 3.225 12.607 1.00 0.13 H ATOM 546 HD3 ARG A 39 -4.422 3.732 12.010 1.00 0.13 H ATOM 547 HE ARG A 39 -4.668 3.687 14.817 1.00 0.27 H ATOM 548 HH11 ARG A 39 -2.754 5.504 12.382 1.00 0.36 H ATOM 549 HH12 ARG A 39 -2.624 6.909 13.427 1.00 0.36 H ATOM 550 HH21 ARG A 39 -4.448 5.529 16.078 1.00 0.36 H ATOM 551 HH22 ARG A 39 -3.571 6.931 15.471 1.00 0.36 H ATOM 552 N SER A 40 -0.348 -0.813 14.490 1.00 -0.46 N ATOM 553 CA SER A 40 0.507 -1.423 15.511 1.00 0.04 C ATOM 554 C SER A 40 1.859 -1.714 14.897 1.00 0.62 C ATOM 555 O SER A 40 1.917 -1.829 13.681 1.00 -0.50 O ATOM 556 CB SER A 40 -0.157 -2.700 16.088 1.00 0.02 C ATOM 557 OG SER A 40 0.625 -3.299 17.136 1.00 -0.55 O ATOM 558 H SER A 40 -0.096 -0.923 13.529 1.00 0.25 H ATOM 559 HA SER A 40 0.660 -0.702 16.331 1.00 0.05 H ATOM 560 HB2 SER A 40 -1.127 -2.429 16.532 1.00 0.12 H ATOM 561 HB3 SER A 40 -0.350 -3.428 15.286 1.00 0.12 H ATOM 562 HG SER A 40 1.435 -3.689 16.827 1.00 0.31 H ATOM 563 N GLN A 41 2.967 -1.806 15.667 1.00 -0.46 N ATOM 564 CA GLN A 41 4.265 -2.036 15.028 1.00 0.04 C ATOM 565 C GLN A 41 4.204 -3.276 14.164 1.00 0.62 C ATOM 566 O GLN A 41 4.502 -3.194 12.982 1.00 -0.50 O ATOM 567 CB GLN A 41 5.418 -2.137 16.065 1.00 -0.10 C ATOM 568 CG GLN A 41 6.769 -2.502 15.391 1.00 -0.10 C ATOM 569 CD GLN A 41 7.926 -2.337 16.344 1.00 0.68 C ATOM 570 OE1 GLN A 41 8.728 -1.437 16.155 1.00 -0.47 O ATOM 571 NE2 GLN A 41 8.046 -3.188 17.381 1.00 -0.87 N ATOM 572 H GLN A 41 2.918 -1.687 16.661 1.00 0.25 H ATOM 573 HA GLN A 41 4.475 -1.172 14.376 1.00 0.05 H ATOM 574 HB2 GLN A 41 5.516 -1.164 16.573 1.00 0.04 H ATOM 575 HB3 GLN A 41 5.173 -2.892 16.828 1.00 0.04 H ATOM 576 HG2 GLN A 41 6.751 -3.546 15.040 1.00 0.06 H ATOM 577 HG3 GLN A 41 6.935 -1.853 14.519 1.00 0.06 H ATOM 578 HE21 GLN A 41 7.391 -3.929 17.530 1.00 0.34 H ATOM 579 HE22 GLN A 41 8.812 -3.076 18.016 1.00 0.34 H ATOM 580 N SER A 42 3.811 -4.434 14.741 1.00 -0.46 N ATOM 581 CA SER A 42 3.729 -5.659 13.946 1.00 0.04 C ATOM 582 C SER A 42 2.983 -5.426 12.652 1.00 0.62 C ATOM 583 O SER A 42 3.442 -5.880 11.614 1.00 -0.50 O ATOM 584 CB SER A 42 2.997 -6.795 14.709 1.00 0.02 C ATOM 585 OG SER A 42 2.866 -7.963 13.881 1.00 -0.55 O ATOM 586 H SER A 42 3.593 -4.473 15.716 1.00 0.25 H ATOM 587 HA SER A 42 4.757 -5.990 13.725 1.00 0.05 H ATOM 588 HB2 SER A 42 3.535 -7.042 15.639 1.00 0.12 H ATOM 589 HB3 SER A 42 1.980 -6.465 14.977 1.00 0.12 H ATOM 590 HG SER A 42 3.704 -8.332 13.618 1.00 0.31 H ATOM 591 N ASP A 43 1.833 -4.714 12.687 1.00 -0.46 N ATOM 592 CA ASP A 43 1.080 -4.520 11.453 1.00 0.04 C ATOM 593 C ASP A 43 1.967 -3.869 10.415 1.00 0.62 C ATOM 594 O ASP A 43 2.079 -4.379 9.313 1.00 -0.50 O ATOM 595 CB ASP A 43 -0.181 -3.628 11.602 1.00 -0.40 C ATOM 596 CG ASP A 43 -1.091 -3.963 12.747 1.00 0.71 C ATOM 597 OD1 ASP A 43 -0.941 -5.066 13.335 1.00 -0.72 O ATOM 598 OD2 ASP A 43 -1.954 -3.098 13.069 1.00 -0.72 O ATOM 599 H ASP A 43 1.465 -4.346 13.541 1.00 0.25 H ATOM 600 HA ASP A 43 0.759 -5.518 11.113 1.00 0.05 H ATOM 601 HB2 ASP A 43 0.124 -2.582 11.738 1.00 0.07 H ATOM 602 HB3 ASP A 43 -0.771 -3.711 10.676 1.00 0.07 H ATOM 603 N ARG A 44 2.619 -2.728 10.735 1.00 -0.46 N ATOM 604 CA ARG A 44 3.436 -2.071 9.718 1.00 0.04 C ATOM 605 C ARG A 44 4.596 -2.968 9.351 1.00 0.62 C ATOM 606 O ARG A 44 4.977 -2.959 8.190 1.00 -0.50 O ATOM 607 CB ARG A 44 3.961 -0.658 10.100 1.00 -0.08 C ATOM 608 CG ARG A 44 2.941 0.485 9.832 1.00 -0.10 C ATOM 609 CD ARG A 44 1.715 0.477 10.781 1.00 -0.23 C ATOM 610 NE ARG A 44 2.144 0.627 12.175 1.00 -0.32 N ATOM 611 CZ ARG A 44 2.500 1.764 12.733 1.00 0.76 C ATOM 612 NH1 ARG A 44 2.518 2.912 12.099 1.00 -0.62 N ATOM 613 NH2 ARG A 44 2.862 1.760 13.993 1.00 -0.62 N ATOM 614 H ARG A 44 2.581 -2.360 11.665 1.00 0.25 H ATOM 615 HA ARG A 44 2.825 -1.962 8.808 1.00 0.05 H ATOM 616 HB2 ARG A 44 4.317 -0.649 11.142 1.00 0.06 H ATOM 617 HB3 ARG A 44 4.816 -0.437 9.440 1.00 0.06 H ATOM 618 HG2 ARG A 44 3.473 1.446 9.914 1.00 0.07 H ATOM 619 HG3 ARG A 44 2.587 0.395 8.795 1.00 0.07 H ATOM 620 HD2 ARG A 44 0.979 1.244 10.493 1.00 0.13 H ATOM 621 HD3 ARG A 44 1.194 -0.486 10.652 1.00 0.13 H ATOM 622 HE ARG A 44 2.158 -0.228 12.748 1.00 0.27 H ATOM 623 HH11 ARG A 44 2.235 2.994 11.119 1.00 0.36 H ATOM 624 HH12 ARG A 44 2.831 3.772 12.572 1.00 0.36 H ATOM 625 HH21 ARG A 44 2.867 0.895 14.549 1.00 0.36 H ATOM 626 HH22 ARG A 44 3.169 2.627 14.457 1.00 0.36 H ATOM 627 N GLN A 45 5.181 -3.754 10.283 1.00 -0.46 N ATOM 628 CA GLN A 45 6.250 -4.663 9.871 1.00 0.04 C ATOM 629 C GLN A 45 5.695 -5.591 8.806 1.00 0.62 C ATOM 630 O GLN A 45 6.172 -5.562 7.682 1.00 -0.50 O ATOM 631 CB GLN A 45 6.867 -5.499 11.032 1.00 -0.10 C ATOM 632 CG GLN A 45 7.583 -4.656 12.126 1.00 -0.10 C ATOM 633 CD GLN A 45 8.881 -4.018 11.699 1.00 0.68 C ATOM 634 OE1 GLN A 45 9.286 -4.140 10.553 1.00 -0.47 O ATOM 635 NE2 GLN A 45 9.568 -3.300 12.611 1.00 -0.87 N ATOM 636 H GLN A 45 4.864 -3.755 11.233 1.00 0.25 H ATOM 637 HA GLN A 45 7.057 -4.062 9.422 1.00 0.05 H ATOM 638 HB2 GLN A 45 6.068 -6.076 11.522 1.00 0.04 H ATOM 639 HB3 GLN A 45 7.590 -6.221 10.618 1.00 0.04 H ATOM 640 HG2 GLN A 45 6.916 -3.864 12.488 1.00 0.06 H ATOM 641 HG3 GLN A 45 7.820 -5.314 12.977 1.00 0.06 H ATOM 642 HE21 GLN A 45 9.230 -3.189 13.546 1.00 0.34 H ATOM 643 HE22 GLN A 45 10.439 -2.879 12.359 1.00 0.34 H ATOM 644 N SER A 46 4.674 -6.416 9.124 1.00 -0.46 N ATOM 645 CA SER A 46 4.186 -7.395 8.148 1.00 0.04 C ATOM 646 C SER A 46 3.658 -6.714 6.903 1.00 0.62 C ATOM 647 O SER A 46 3.981 -7.125 5.798 1.00 -0.50 O ATOM 648 CB SER A 46 3.063 -8.280 8.756 1.00 0.02 C ATOM 649 OG SER A 46 3.586 -9.196 9.732 1.00 -0.55 O ATOM 650 H SER A 46 4.237 -6.359 10.024 1.00 0.25 H ATOM 651 HA SER A 46 5.019 -8.060 7.863 1.00 0.05 H ATOM 652 HB2 SER A 46 2.269 -7.657 9.197 1.00 0.12 H ATOM 653 HB3 SER A 46 2.611 -8.897 7.967 1.00 0.12 H ATOM 654 HG SER A 46 3.963 -8.763 10.492 1.00 0.31 H ATOM 655 N ALA A 47 2.829 -5.663 7.072 1.00 -0.46 N ATOM 656 CA ALA A 47 2.235 -5.000 5.916 1.00 0.04 C ATOM 657 C ALA A 47 3.324 -4.428 5.040 1.00 0.62 C ATOM 658 O ALA A 47 3.353 -4.708 3.851 1.00 -0.50 O ATOM 659 CB ALA A 47 1.268 -3.861 6.338 1.00 -0.10 C ATOM 660 H ALA A 47 2.609 -5.331 7.990 1.00 0.25 H ATOM 661 HA ALA A 47 1.662 -5.753 5.349 1.00 0.05 H ATOM 662 HB1 ALA A 47 1.816 -3.027 6.798 1.00 0.04 H ATOM 663 HB2 ALA A 47 0.734 -3.486 5.455 1.00 0.04 H ATOM 664 HB3 ALA A 47 0.522 -4.217 7.062 1.00 0.04 H ATOM 665 N CYS A 48 4.247 -3.618 5.609 1.00 -0.46 N ATOM 666 CA CYS A 48 5.275 -3.019 4.765 1.00 0.04 C ATOM 667 C CYS A 48 6.205 -4.077 4.212 1.00 0.62 C ATOM 668 O CYS A 48 6.724 -3.909 3.121 1.00 -0.50 O ATOM 669 CB CYS A 48 6.131 -1.937 5.465 1.00 -0.10 C ATOM 670 SG CYS A 48 7.311 -2.696 6.626 1.00 0.82 S ATOM 671 H CYS A 48 4.240 -3.421 6.591 1.00 0.25 H ATOM 672 HA CYS A 48 4.734 -2.511 3.953 1.00 0.05 H ATOM 673 HB2 CYS A 48 6.706 -1.398 4.693 1.00 0.05 H ATOM 674 HB3 CYS A 48 5.493 -1.216 6.000 1.00 0.05 H ATOM 675 N ASN A 49 6.457 -5.182 4.946 1.00 -0.46 N ATOM 676 CA ASN A 49 7.313 -6.225 4.384 1.00 0.04 C ATOM 677 C ASN A 49 6.668 -6.759 3.122 1.00 0.62 C ATOM 678 O ASN A 49 7.380 -6.986 2.156 1.00 -0.50 O ATOM 679 CB ASN A 49 7.601 -7.335 5.428 1.00 -0.09 C ATOM 680 CG ASN A 49 8.334 -6.784 6.632 1.00 0.68 C ATOM 681 OD1 ASN A 49 8.724 -5.625 6.638 1.00 -0.47 O ATOM 682 ND2 ASN A 49 8.539 -7.598 7.685 1.00 -0.87 N ATOM 683 H ASN A 49 6.048 -5.320 5.851 1.00 0.25 H ATOM 684 HA ASN A 49 8.280 -5.772 4.102 1.00 0.05 H ATOM 685 HB2 ASN A 49 6.652 -7.790 5.748 1.00 0.04 H ATOM 686 HB3 ASN A 49 8.226 -8.117 4.969 1.00 0.04 H ATOM 687 HD21 ASN A 49 8.218 -8.546 7.679 1.00 0.34 H ATOM 688 HD22 ASN A 49 9.022 -7.249 8.488 1.00 0.34 H ATOM 689 N CYS A 50 5.325 -6.934 3.078 1.00 -0.46 N ATOM 690 CA CYS A 50 4.690 -7.248 1.794 1.00 0.04 C ATOM 691 C CYS A 50 4.926 -6.096 0.836 1.00 0.62 C ATOM 692 O CYS A 50 5.279 -6.345 -0.305 1.00 -0.50 O ATOM 693 CB CYS A 50 3.175 -7.595 1.911 1.00 -0.10 C ATOM 694 SG CYS A 50 2.990 -9.376 2.274 1.00 0.82 S ATOM 695 H CYS A 50 4.758 -6.748 3.884 1.00 0.25 H ATOM 696 HA CYS A 50 5.205 -8.123 1.360 1.00 0.05 H ATOM 697 HB2 CYS A 50 2.661 -6.987 2.671 1.00 0.05 H ATOM 698 HB3 CYS A 50 2.674 -7.433 0.944 1.00 0.05 H ATOM 699 N LEU A 51 4.760 -4.824 1.259 1.00 -0.46 N ATOM 700 CA LEU A 51 5.019 -3.712 0.337 1.00 0.04 C ATOM 701 C LEU A 51 6.383 -3.810 -0.305 1.00 0.62 C ATOM 702 O LEU A 51 6.452 -3.899 -1.521 1.00 -0.50 O ATOM 703 CB LEU A 51 4.868 -2.336 1.042 1.00 -0.06 C ATOM 704 CG LEU A 51 4.997 -1.084 0.123 1.00 -0.01 C ATOM 705 CD1 LEU A 51 4.199 0.082 0.774 1.00 -0.11 C ATOM 706 CD2 LEU A 51 6.489 -0.696 -0.129 1.00 -0.11 C ATOM 707 H LEU A 51 4.432 -4.639 2.187 1.00 0.25 H ATOM 708 HA LEU A 51 4.261 -3.774 -0.461 1.00 0.05 H ATOM 709 HB2 LEU A 51 3.889 -2.341 1.538 1.00 0.03 H ATOM 710 HB3 LEU A 51 5.613 -2.224 1.835 1.00 0.03 H ATOM 711 HG LEU A 51 4.530 -1.277 -0.857 1.00 0.03 H ATOM 712 HD11 LEU A 51 3.114 -0.086 0.693 1.00 0.03 H ATOM 713 HD12 LEU A 51 4.431 0.178 1.844 1.00 0.03 H ATOM 714 HD13 LEU A 51 4.429 1.027 0.266 1.00 0.03 H ATOM 715 HD21 LEU A 51 7.083 -0.743 0.793 1.00 0.03 H ATOM 716 HD22 LEU A 51 6.951 -1.362 -0.868 1.00 0.03 H ATOM 717 HD23 LEU A 51 6.582 0.324 -0.522 1.00 0.03 H ATOM 718 N LYS A 52 7.498 -3.781 0.460 1.00 -0.46 N ATOM 719 CA LYS A 52 8.803 -3.817 -0.198 1.00 0.04 C ATOM 720 C LYS A 52 8.980 -5.155 -0.885 1.00 0.62 C ATOM 721 O LYS A 52 9.462 -5.190 -2.007 1.00 -0.50 O ATOM 722 CB LYS A 52 10.000 -3.472 0.733 1.00 -0.10 C ATOM 723 CG LYS A 52 9.962 -1.984 1.193 1.00 -0.16 C ATOM 724 CD LYS A 52 11.276 -1.545 1.901 1.00 -0.18 C ATOM 725 CE LYS A 52 11.248 -0.032 2.261 1.00 -0.04 C ATOM 726 NZ LYS A 52 12.529 0.440 2.841 1.00 -0.14 N ATOM 727 H LYS A 52 7.445 -3.762 1.460 1.00 0.25 H ATOM 728 HA LYS A 52 8.796 -3.051 -0.985 1.00 0.05 H ATOM 729 HB2 LYS A 52 10.006 -4.147 1.603 1.00 0.04 H ATOM 730 HB3 LYS A 52 10.928 -3.639 0.162 1.00 0.04 H ATOM 731 HG2 LYS A 52 9.817 -1.336 0.312 1.00 0.12 H ATOM 732 HG3 LYS A 52 9.107 -1.834 1.872 1.00 0.12 H ATOM 733 HD2 LYS A 52 11.424 -2.147 2.813 1.00 0.12 H ATOM 734 HD3 LYS A 52 12.127 -1.731 1.226 1.00 0.12 H ATOM 735 HE2 LYS A 52 11.040 0.555 1.349 1.00 0.10 H ATOM 736 HE3 LYS A 52 10.426 0.148 2.976 1.00 0.10 H ATOM 737 HZ1 LYS A 52 12.764 -0.034 3.783 1.00 0.29 H ATOM 738 HZ2 LYS A 52 13.368 0.289 2.178 1.00 0.29 H ATOM 739 HZ3 LYS A 52 12.521 1.505 3.041 1.00 0.29 H ATOM 740 N GLY A 53 8.583 -6.271 -0.237 1.00 -0.46 N ATOM 741 CA GLY A 53 8.725 -7.575 -0.881 1.00 0.04 C ATOM 742 C GLY A 53 8.082 -7.622 -2.250 1.00 0.62 C ATOM 743 O GLY A 53 8.706 -8.133 -3.167 1.00 -0.50 O ATOM 744 H GLY A 53 8.199 -6.231 0.689 1.00 0.25 H ATOM 745 HA2 GLY A 53 9.798 -7.812 -0.961 1.00 0.03 H ATOM 746 HA3 GLY A 53 8.252 -8.362 -0.272 1.00 0.03 H ATOM 747 N ILE A 54 6.835 -7.112 -2.399 1.00 -0.46 N ATOM 748 CA ILE A 54 6.137 -7.180 -3.684 1.00 0.04 C ATOM 749 C ILE A 54 6.212 -5.833 -4.374 1.00 0.62 C ATOM 750 O ILE A 54 6.761 -5.766 -5.462 1.00 -0.50 O ATOM 751 CB ILE A 54 4.653 -7.656 -3.562 1.00 -0.01 C ATOM 752 CG1 ILE A 54 4.529 -9.122 -3.036 1.00 -0.05 C ATOM 753 CG2 ILE A 54 3.946 -7.567 -4.950 1.00 -0.09 C ATOM 754 CD1 ILE A 54 4.791 -9.292 -1.516 1.00 -0.09 C ATOM 755 H ILE A 54 6.372 -6.670 -1.630 1.00 0.25 H ATOM 756 HA ILE A 54 6.617 -7.915 -4.350 1.00 0.05 H ATOM 757 HB ILE A 54 4.112 -6.992 -2.868 1.00 0.02 H ATOM 758 HG12 ILE A 54 3.500 -9.477 -3.208 1.00 0.03 H ATOM 759 HG13 ILE A 54 5.203 -9.784 -3.603 1.00 0.03 H ATOM 760 HG21 ILE A 54 2.885 -7.850 -4.865 1.00 0.03 H ATOM 761 HG22 ILE A 54 3.977 -6.552 -5.370 1.00 0.03 H ATOM 762 HG23 ILE A 54 4.430 -8.248 -5.667 1.00 0.03 H ATOM 763 HD11 ILE A 54 4.125 -8.628 -0.945 1.00 0.03 H ATOM 764 HD12 ILE A 54 4.580 -10.330 -1.215 1.00 0.03 H ATOM 765 HD13 ILE A 54 5.834 -9.075 -1.253 1.00 0.03 H ATOM 766 N ALA A 55 5.657 -4.741 -3.802 1.00 -0.46 N ATOM 767 CA ALA A 55 5.533 -3.504 -4.575 1.00 0.04 C ATOM 768 C ALA A 55 6.890 -3.035 -5.052 1.00 0.62 C ATOM 769 O ALA A 55 7.105 -2.941 -6.249 1.00 -0.50 O ATOM 770 CB ALA A 55 4.815 -2.362 -3.806 1.00 -0.10 C ATOM 771 H ALA A 55 5.290 -4.775 -2.871 1.00 0.25 H ATOM 772 HA ALA A 55 4.906 -3.741 -5.453 1.00 0.05 H ATOM 773 HB1 ALA A 55 4.467 -1.598 -4.516 1.00 0.04 H ATOM 774 HB2 ALA A 55 3.942 -2.746 -3.266 1.00 0.04 H ATOM 775 HB3 ALA A 55 5.478 -1.883 -3.074 1.00 0.04 H ATOM 776 N ARG A 56 7.840 -2.749 -4.135 1.00 -0.46 N ATOM 777 CA ARG A 56 9.169 -2.337 -4.588 1.00 0.04 C ATOM 778 C ARG A 56 9.760 -3.471 -5.398 1.00 0.62 C ATOM 779 O ARG A 56 10.345 -3.217 -6.439 1.00 -0.50 O ATOM 780 CB ARG A 56 10.109 -1.977 -3.405 1.00 -0.08 C ATOM 781 CG ARG A 56 11.457 -1.378 -3.895 1.00 -0.10 C ATOM 782 CD ARG A 56 12.436 -1.106 -2.718 1.00 -0.23 C ATOM 783 NE ARG A 56 12.938 -2.342 -2.104 1.00 -0.32 N ATOM 784 CZ ARG A 56 13.781 -2.368 -1.094 1.00 0.76 C ATOM 785 NH1 ARG A 56 14.258 -1.280 -0.540 1.00 -0.62 N ATOM 786 NH2 ARG A 56 14.166 -3.526 -0.616 1.00 -0.62 N ATOM 787 H ARG A 56 7.659 -2.866 -3.157 1.00 0.25 H ATOM 788 HA ARG A 56 9.053 -1.444 -5.226 1.00 0.05 H ATOM 789 HB2 ARG A 56 9.603 -1.244 -2.755 1.00 0.06 H ATOM 790 HB3 ARG A 56 10.298 -2.887 -2.822 1.00 0.06 H ATOM 791 HG2 ARG A 56 11.945 -2.059 -4.612 1.00 0.07 H ATOM 792 HG3 ARG A 56 11.244 -0.431 -4.420 1.00 0.07 H ATOM 793 HD2 ARG A 56 13.289 -0.539 -3.130 1.00 0.13 H ATOM 794 HD3 ARG A 56 11.909 -0.484 -1.975 1.00 0.13 H ATOM 795 HE ARG A 56 12.618 -3.237 -2.504 1.00 0.27 H ATOM 796 HH11 ARG A 56 13.995 -0.347 -0.876 1.00 0.36 H ATOM 797 HH12 ARG A 56 14.924 -1.333 0.243 1.00 0.36 H ATOM 798 HH21 ARG A 56 13.821 -4.410 -1.017 1.00 0.36 H ATOM 799 HH22 ARG A 56 14.828 -3.585 0.171 1.00 0.36 H ATOM 800 N GLY A 57 9.603 -4.735 -4.935 1.00 -0.46 N ATOM 801 CA GLY A 57 10.085 -5.872 -5.720 1.00 0.04 C ATOM 802 C GLY A 57 9.705 -5.753 -7.179 1.00 0.62 C ATOM 803 O GLY A 57 10.529 -6.037 -8.035 1.00 -0.50 O ATOM 804 H GLY A 57 9.160 -4.920 -4.053 1.00 0.25 H ATOM 805 HA2 GLY A 57 11.180 -5.930 -5.617 1.00 0.03 H ATOM 806 HA3 GLY A 57 9.655 -6.815 -5.346 1.00 0.03 H ATOM 807 N ILE A 58 8.462 -5.319 -7.486 1.00 -0.46 N ATOM 808 CA ILE A 58 8.100 -5.041 -8.876 1.00 0.04 C ATOM 809 C ILE A 58 8.852 -3.771 -9.217 1.00 0.62 C ATOM 810 O ILE A 58 8.278 -2.696 -9.133 1.00 -0.50 O ATOM 811 CB ILE A 58 6.556 -4.901 -9.078 1.00 -0.01 C ATOM 812 CG1 ILE A 58 5.824 -6.223 -8.685 1.00 -0.05 C ATOM 813 CG2 ILE A 58 6.219 -4.510 -10.549 1.00 -0.09 C ATOM 814 CD1 ILE A 58 4.298 -6.037 -8.474 1.00 -0.09 C ATOM 815 H ILE A 58 7.810 -5.089 -6.760 1.00 0.25 H ATOM 816 HA ILE A 58 8.435 -5.862 -9.531 1.00 0.05 H ATOM 817 HB ILE A 58 6.205 -4.094 -8.415 1.00 0.02 H ATOM 818 HG12 ILE A 58 5.997 -6.989 -9.458 1.00 0.03 H ATOM 819 HG13 ILE A 58 6.229 -6.623 -7.744 1.00 0.03 H ATOM 820 HG21 ILE A 58 6.759 -3.611 -10.870 1.00 0.03 H ATOM 821 HG22 ILE A 58 6.493 -5.326 -11.235 1.00 0.03 H ATOM 822 HG23 ILE A 58 5.147 -4.297 -10.668 1.00 0.03 H ATOM 823 HD11 ILE A 58 3.795 -5.743 -9.404 1.00 0.03 H ATOM 824 HD12 ILE A 58 3.849 -6.983 -8.133 1.00 0.03 H ATOM 825 HD13 ILE A 58 4.106 -5.266 -7.711 1.00 0.03 H ATOM 826 N HIS A 59 10.146 -3.850 -9.610 1.00 -0.46 N ATOM 827 CA HIS A 59 10.883 -2.638 -9.988 1.00 0.04 C ATOM 828 C HIS A 59 10.448 -2.206 -11.376 1.00 0.62 C ATOM 829 O HIS A 59 11.254 -2.200 -12.293 1.00 -0.50 O ATOM 830 CB HIS A 59 12.414 -2.890 -9.903 1.00 -0.10 C ATOM 831 CG HIS A 59 13.257 -1.675 -10.209 1.00 0.06 C ATOM 832 ND1 HIS A 59 14.555 -1.692 -10.285 1.00 -0.06 N ATOM 833 CD2 HIS A 59 12.882 -0.414 -10.450 1.00 -0.04 C ATOM 834 CE1 HIS A 59 15.040 -0.519 -10.563 1.00 0.11 C ATOM 835 NE2 HIS A 59 13.988 0.240 -10.657 1.00 -0.06 N ATOM 836 H HIS A 59 10.603 -4.741 -9.668 1.00 0.25 H ATOM 837 HA HIS A 59 10.652 -1.832 -9.271 1.00 0.05 H ATOM 838 HB2 HIS A 59 12.663 -3.233 -8.886 1.00 0.09 H ATOM 839 HB3 HIS A 59 12.687 -3.687 -10.612 1.00 0.09 H ATOM 840 HD1 HIS A 59 15.131 -2.536 -10.144 1.00 0.31 H ATOM 841 HD2 HIS A 59 11.873 0.000 -10.474 1.00 0.15 H ATOM 842 HE1 HIS A 59 16.087 -0.236 -10.688 1.00 0.16 H ATOM 843 HE2 HIS A 59 14.026 1.250 -10.872 1.00 0.31 H ATOM 844 N ASN A 60 9.156 -1.840 -11.529 1.00 -0.46 N ATOM 845 CA ASN A 60 8.581 -1.516 -12.840 1.00 0.04 C ATOM 846 C ASN A 60 7.179 -1.010 -12.559 1.00 0.62 C ATOM 847 O ASN A 60 6.210 -1.669 -12.901 1.00 -0.50 O ATOM 848 CB ASN A 60 8.573 -2.778 -13.748 1.00 -0.09 C ATOM 849 CG ASN A 60 8.079 -2.459 -15.140 1.00 0.68 C ATOM 850 OD1 ASN A 60 8.888 -2.333 -16.045 1.00 -0.47 O ATOM 851 ND2 ASN A 60 6.757 -2.315 -15.360 1.00 -0.87 N ATOM 852 H ASN A 60 8.565 -1.801 -10.721 1.00 0.25 H ATOM 853 HA ASN A 60 9.169 -0.719 -13.323 1.00 0.05 H ATOM 854 HB2 ASN A 60 9.590 -3.188 -13.836 1.00 0.04 H ATOM 855 HB3 ASN A 60 7.947 -3.562 -13.296 1.00 0.04 H ATOM 856 HD21 ASN A 60 6.096 -2.411 -14.613 1.00 0.34 H ATOM 857 HD22 ASN A 60 6.433 -2.104 -16.282 1.00 0.34 H ATOM 858 N LEU A 61 7.076 0.143 -11.859 1.00 -0.46 N ATOM 859 CA LEU A 61 5.817 0.494 -11.203 1.00 0.04 C ATOM 860 C LEU A 61 5.683 1.998 -11.097 1.00 0.62 C ATOM 861 O LEU A 61 6.671 2.638 -10.772 1.00 -0.50 O ATOM 862 CB LEU A 61 5.885 -0.245 -9.834 1.00 -0.06 C ATOM 863 CG LEU A 61 4.675 -0.028 -8.880 1.00 -0.01 C ATOM 864 CD1 LEU A 61 4.558 -1.220 -7.887 1.00 -0.11 C ATOM 865 CD2 LEU A 61 4.786 1.293 -8.069 1.00 -0.11 C ATOM 866 H LEU A 61 7.886 0.689 -11.636 1.00 0.25 H ATOM 867 HA LEU A 61 4.965 0.110 -11.785 1.00 0.05 H ATOM 868 HB2 LEU A 61 5.946 -1.319 -10.075 1.00 0.03 H ATOM 869 HB3 LEU A 61 6.816 0.023 -9.309 1.00 0.03 H ATOM 870 HG LEU A 61 3.771 0.007 -9.506 1.00 0.03 H ATOM 871 HD11 LEU A 61 4.372 -2.164 -8.424 1.00 0.03 H ATOM 872 HD12 LEU A 61 5.493 -1.316 -7.318 1.00 0.03 H ATOM 873 HD13 LEU A 61 3.734 -1.072 -7.173 1.00 0.03 H ATOM 874 HD21 LEU A 61 4.717 2.159 -8.732 1.00 0.03 H ATOM 875 HD22 LEU A 61 3.972 1.375 -7.334 1.00 0.03 H ATOM 876 HD23 LEU A 61 5.742 1.343 -7.527 1.00 0.03 H ATOM 877 N ASN A 62 4.495 2.588 -11.369 1.00 -0.46 N ATOM 878 CA ASN A 62 4.372 4.045 -11.331 1.00 0.04 C ATOM 879 C ASN A 62 4.209 4.501 -9.897 1.00 0.62 C ATOM 880 O ASN A 62 3.089 4.711 -9.458 1.00 -0.50 O ATOM 881 CB ASN A 62 3.192 4.517 -12.225 1.00 -0.09 C ATOM 882 CG ASN A 62 3.084 6.021 -12.255 1.00 0.68 C ATOM 883 OD1 ASN A 62 3.830 6.689 -11.558 1.00 -0.47 O ATOM 884 ND2 ASN A 62 2.162 6.592 -13.053 1.00 -0.87 N ATOM 885 H ASN A 62 3.676 2.048 -11.584 1.00 0.25 H ATOM 886 HA ASN A 62 5.280 4.506 -11.757 1.00 0.05 H ATOM 887 HB2 ASN A 62 3.351 4.152 -13.252 1.00 0.04 H ATOM 888 HB3 ASN A 62 2.245 4.099 -11.850 1.00 0.04 H ATOM 889 HD21 ASN A 62 1.564 6.040 -13.631 1.00 0.34 H ATOM 890 HD22 ASN A 62 2.074 7.588 -13.059 1.00 0.34 H ATOM 891 N GLU A 63 5.312 4.661 -9.133 1.00 -0.46 N ATOM 892 CA GLU A 63 5.173 5.069 -7.734 1.00 0.04 C ATOM 893 C GLU A 63 4.339 6.327 -7.586 1.00 0.62 C ATOM 894 O GLU A 63 3.669 6.468 -6.574 1.00 -0.50 O ATOM 895 CB GLU A 63 6.544 5.188 -7.012 1.00 -0.18 C ATOM 896 CG GLU A 63 7.378 6.410 -7.485 1.00 -0.40 C ATOM 897 CD GLU A 63 6.784 7.717 -7.031 1.00 0.71 C ATOM 898 OE1 GLU A 63 6.328 7.789 -5.860 1.00 -0.72 O ATOM 899 OE2 GLU A 63 6.753 8.694 -7.828 1.00 -0.72 O ATOM 900 H GLU A 63 6.222 4.462 -9.502 1.00 0.25 H ATOM 901 HA GLU A 63 4.625 4.253 -7.232 1.00 0.05 H ATOM 902 HB2 GLU A 63 6.374 5.274 -5.926 1.00 0.09 H ATOM 903 HB3 GLU A 63 7.116 4.261 -7.187 1.00 0.09 H ATOM 904 HG2 GLU A 63 8.386 6.355 -7.043 1.00 0.07 H ATOM 905 HG3 GLU A 63 7.483 6.406 -8.581 1.00 0.07 H ATOM 906 N ASP A 64 4.318 7.261 -8.566 1.00 -0.46 N ATOM 907 CA ASP A 64 3.412 8.402 -8.431 1.00 0.04 C ATOM 908 C ASP A 64 2.008 7.883 -8.204 1.00 0.62 C ATOM 909 O ASP A 64 1.336 8.380 -7.316 1.00 -0.50 O ATOM 910 CB ASP A 64 3.431 9.358 -9.650 1.00 -0.40 C ATOM 911 CG ASP A 64 2.522 10.527 -9.373 1.00 0.71 C ATOM 912 OD1 ASP A 64 1.299 10.410 -9.662 1.00 -0.72 O ATOM 913 OD2 ASP A 64 3.020 11.562 -8.856 1.00 -0.72 O ATOM 914 H ASP A 64 4.888 7.183 -9.384 1.00 0.25 H ATOM 915 HA ASP A 64 3.730 8.983 -7.550 1.00 0.05 H ATOM 916 HB2 ASP A 64 4.457 9.716 -9.828 1.00 0.07 H ATOM 917 HB3 ASP A 64 3.079 8.842 -10.554 1.00 0.07 H ATOM 918 N ASN A 65 1.546 6.866 -8.967 1.00 -0.46 N ATOM 919 CA ASN A 65 0.233 6.285 -8.685 1.00 0.04 C ATOM 920 C ASN A 65 0.187 5.791 -7.255 1.00 0.62 C ATOM 921 O ASN A 65 -0.779 6.079 -6.565 1.00 -0.50 O ATOM 922 CB ASN A 65 -0.122 5.113 -9.636 1.00 -0.09 C ATOM 923 CG ASN A 65 -0.268 5.543 -11.073 1.00 0.68 C ATOM 924 OD1 ASN A 65 -0.250 6.727 -11.366 1.00 -0.47 O ATOM 925 ND2 ASN A 65 -0.438 4.588 -12.007 1.00 -0.87 N ATOM 926 H ASN A 65 2.110 6.477 -9.696 1.00 0.25 H ATOM 927 HA ASN A 65 -0.531 7.069 -8.815 1.00 0.05 H ATOM 928 HB2 ASN A 65 0.636 4.320 -9.561 1.00 0.04 H ATOM 929 HB3 ASN A 65 -1.090 4.693 -9.329 1.00 0.04 H ATOM 930 HD21 ASN A 65 -0.434 3.615 -11.767 1.00 0.34 H ATOM 931 HD22 ASN A 65 -0.575 4.869 -12.956 1.00 0.34 H ATOM 932 N ALA A 66 1.216 5.056 -6.776 1.00 -0.46 N ATOM 933 CA ALA A 66 1.202 4.618 -5.380 1.00 0.04 C ATOM 934 C ALA A 66 0.958 5.780 -4.439 1.00 0.62 C ATOM 935 O ALA A 66 0.176 5.633 -3.513 1.00 -0.50 O ATOM 936 CB ALA A 66 2.526 3.931 -4.957 1.00 -0.10 C ATOM 937 H ALA A 66 1.990 4.812 -7.364 1.00 0.25 H ATOM 938 HA ALA A 66 0.383 3.890 -5.272 1.00 0.05 H ATOM 939 HB1 ALA A 66 3.389 4.598 -5.070 1.00 0.04 H ATOM 940 HB2 ALA A 66 2.469 3.658 -3.897 1.00 0.04 H ATOM 941 HB3 ALA A 66 2.694 3.023 -5.558 1.00 0.04 H ATOM 942 N ARG A 67 1.620 6.939 -4.658 1.00 -0.46 N ATOM 943 CA ARG A 67 1.378 8.107 -3.804 1.00 0.04 C ATOM 944 C ARG A 67 0.094 8.836 -4.153 1.00 0.62 C ATOM 945 O ARG A 67 -0.477 9.436 -3.257 1.00 -0.50 O ATOM 946 CB ARG A 67 2.541 9.134 -3.911 1.00 -0.08 C ATOM 947 CG ARG A 67 3.857 8.598 -3.280 1.00 -0.10 C ATOM 948 CD ARG A 67 5.002 9.650 -3.358 1.00 -0.23 C ATOM 949 NE ARG A 67 5.472 9.860 -4.731 1.00 -0.32 N ATOM 950 CZ ARG A 67 6.338 10.783 -5.088 1.00 0.76 C ATOM 951 NH1 ARG A 67 6.890 11.604 -4.227 1.00 -0.62 N ATOM 952 NH2 ARG A 67 6.675 10.898 -6.349 1.00 -0.62 N ATOM 953 H ARG A 67 2.259 7.019 -5.428 1.00 0.25 H ATOM 954 HA ARG A 67 1.306 7.783 -2.752 1.00 0.05 H ATOM 955 HB2 ARG A 67 2.693 9.403 -4.968 1.00 0.06 H ATOM 956 HB3 ARG A 67 2.253 10.051 -3.370 1.00 0.06 H ATOM 957 HG2 ARG A 67 3.664 8.375 -2.218 1.00 0.07 H ATOM 958 HG3 ARG A 67 4.171 7.663 -3.773 1.00 0.07 H ATOM 959 HD2 ARG A 67 4.618 10.585 -2.917 1.00 0.13 H ATOM 960 HD3 ARG A 67 5.848 9.285 -2.753 1.00 0.13 H ATOM 961 HE ARG A 67 5.111 9.220 -5.456 1.00 0.27 H ATOM 962 HH11 ARG A 67 6.681 11.550 -3.225 1.00 0.36 H ATOM 963 HH12 ARG A 67 7.564 12.318 -4.535 1.00 0.36 H ATOM 964 HH21 ARG A 67 6.279 10.268 -7.067 1.00 0.36 H ATOM 965 HH22 ARG A 67 7.352 11.606 -6.661 1.00 0.36 H ATOM 966 N SER A 68 -0.369 8.838 -5.424 1.00 -0.46 N ATOM 967 CA SER A 68 -1.538 9.635 -5.806 1.00 0.04 C ATOM 968 C SER A 68 -2.838 8.913 -5.537 1.00 0.62 C ATOM 969 O SER A 68 -3.765 9.540 -5.054 1.00 -0.50 O ATOM 970 CB SER A 68 -1.503 10.011 -7.313 1.00 0.02 C ATOM 971 OG SER A 68 -2.631 10.834 -7.670 1.00 -0.55 O ATOM 972 H SER A 68 0.101 8.311 -6.130 1.00 0.25 H ATOM 973 HA SER A 68 -1.525 10.582 -5.242 1.00 0.05 H ATOM 974 HB2 SER A 68 -0.555 10.525 -7.550 1.00 0.12 H ATOM 975 HB3 SER A 68 -1.556 9.100 -7.926 1.00 0.12 H ATOM 976 HG SER A 68 -2.631 11.660 -7.192 1.00 0.31 H ATOM 977 N ILE A 69 -2.950 7.600 -5.836 1.00 -0.46 N ATOM 978 CA ILE A 69 -4.211 6.894 -5.592 1.00 0.04 C ATOM 979 C ILE A 69 -4.771 7.223 -4.213 1.00 0.62 C ATOM 980 O ILE A 69 -5.907 7.675 -4.173 1.00 -0.50 O ATOM 981 CB ILE A 69 -4.129 5.361 -5.878 1.00 -0.01 C ATOM 982 CG1 ILE A 69 -3.928 5.060 -7.399 1.00 -0.05 C ATOM 983 CG2 ILE A 69 -5.405 4.647 -5.346 1.00 -0.09 C ATOM 984 CD1 ILE A 69 -3.361 3.636 -7.646 1.00 -0.09 C ATOM 985 H ILE A 69 -2.172 7.106 -6.224 1.00 0.25 H ATOM 986 HA ILE A 69 -4.928 7.275 -6.336 1.00 0.05 H ATOM 987 HB ILE A 69 -3.255 4.961 -5.345 1.00 0.02 H ATOM 988 HG12 ILE A 69 -4.882 5.179 -7.938 1.00 0.03 H ATOM 989 HG13 ILE A 69 -3.214 5.770 -7.845 1.00 0.03 H ATOM 990 HG21 ILE A 69 -5.367 3.575 -5.562 1.00 0.03 H ATOM 991 HG22 ILE A 69 -5.505 4.755 -4.257 1.00 0.03 H ATOM 992 HG23 ILE A 69 -6.305 5.064 -5.825 1.00 0.03 H ATOM 993 HD11 ILE A 69 -2.391 3.536 -7.137 1.00 0.03 H ATOM 994 HD12 ILE A 69 -4.034 2.844 -7.292 1.00 0.03 H ATOM 995 HD13 ILE A 69 -3.199 3.470 -8.718 1.00 0.03 H ATOM 996 N PRO A 70 -4.078 7.038 -3.056 1.00 -0.23 N ATOM 997 CA PRO A 70 -4.703 7.362 -1.781 1.00 0.04 C ATOM 998 C PRO A 70 -5.329 8.750 -1.683 1.00 0.53 C ATOM 999 O PRO A 70 -6.539 8.795 -1.507 1.00 -0.50 O ATOM 1000 CB PRO A 70 -3.577 6.999 -0.769 1.00 -0.12 C ATOM 1001 CG PRO A 70 -2.281 6.751 -1.586 1.00 -0.12 C ATOM 1002 CD PRO A 70 -2.773 6.396 -3.009 1.00 -0.01 C ATOM 1003 HA PRO A 70 -5.525 6.638 -1.650 1.00 0.05 H ATOM 1004 HB2 PRO A 70 -3.438 7.772 -0.001 1.00 0.06 H ATOM 1005 HB3 PRO A 70 -3.819 6.054 -0.257 1.00 0.06 H ATOM 1006 HG2 PRO A 70 -1.661 7.659 -1.615 1.00 0.06 H ATOM 1007 HG3 PRO A 70 -1.648 5.957 -1.152 1.00 0.06 H ATOM 1008 HD2 PRO A 70 -2.057 6.745 -3.764 1.00 0.06 H ATOM 1009 HD3 PRO A 70 -2.901 5.306 -3.079 1.00 0.06 H ATOM 1010 N PRO A 71 -4.639 9.917 -1.786 1.00 -0.23 N ATOM 1011 CA PRO A 71 -5.339 11.193 -1.697 1.00 0.04 C ATOM 1012 C PRO A 71 -6.221 11.437 -2.903 1.00 0.53 C ATOM 1013 O PRO A 71 -7.168 12.196 -2.771 1.00 -0.50 O ATOM 1014 CB PRO A 71 -4.138 12.169 -1.644 1.00 -0.12 C ATOM 1015 CG PRO A 71 -3.036 11.443 -2.446 1.00 -0.12 C ATOM 1016 CD PRO A 71 -3.206 9.969 -2.008 1.00 -0.01 C ATOM 1017 HA PRO A 71 -5.934 11.264 -0.771 1.00 0.05 H ATOM 1018 HB2 PRO A 71 -4.376 13.170 -2.037 1.00 0.06 H ATOM 1019 HB3 PRO A 71 -3.794 12.272 -0.600 1.00 0.06 H ATOM 1020 HG2 PRO A 71 -3.248 11.558 -3.521 1.00 0.06 H ATOM 1021 HG3 PRO A 71 -2.024 11.833 -2.248 1.00 0.06 H ATOM 1022 HD2 PRO A 71 -2.868 9.277 -2.785 1.00 0.06 H ATOM 1023 HD3 PRO A 71 -2.667 9.802 -1.063 1.00 0.06 H ATOM 1024 N LYS A 72 -5.974 10.812 -4.078 1.00 -0.46 N ATOM 1025 CA LYS A 72 -6.882 11.003 -5.213 1.00 0.04 C ATOM 1026 C LYS A 72 -8.260 10.535 -4.793 1.00 0.62 C ATOM 1027 O LYS A 72 -9.226 11.250 -5.008 1.00 -0.50 O ATOM 1028 CB LYS A 72 -6.381 10.227 -6.463 1.00 -0.10 C ATOM 1029 CG LYS A 72 -7.159 10.536 -7.769 1.00 -0.16 C ATOM 1030 CD LYS A 72 -6.768 9.567 -8.928 1.00 -0.18 C ATOM 1031 CE LYS A 72 -5.241 9.428 -9.210 1.00 -0.04 C ATOM 1032 NZ LYS A 72 -4.581 10.707 -9.563 1.00 -0.14 N ATOM 1033 H LYS A 72 -5.198 10.188 -4.182 1.00 0.25 H ATOM 1034 HA LYS A 72 -6.911 12.078 -5.461 1.00 0.05 H ATOM 1035 HB2 LYS A 72 -5.333 10.513 -6.625 1.00 0.04 H ATOM 1036 HB3 LYS A 72 -6.433 9.149 -6.257 1.00 0.04 H ATOM 1037 HG2 LYS A 72 -8.240 10.428 -7.577 1.00 0.12 H ATOM 1038 HG3 LYS A 72 -6.983 11.583 -8.064 1.00 0.12 H ATOM 1039 HD2 LYS A 72 -7.155 8.563 -8.684 1.00 0.12 H ATOM 1040 HD3 LYS A 72 -7.273 9.902 -9.850 1.00 0.12 H ATOM 1041 HE2 LYS A 72 -4.734 8.973 -8.342 1.00 0.10 H ATOM 1042 HE3 LYS A 72 -5.113 8.723 -10.052 1.00 0.10 H ATOM 1043 HZ1 LYS A 72 -3.521 10.569 -9.739 1.00 0.29 H ATOM 1044 HZ2 LYS A 72 -5.008 11.155 -10.450 1.00 0.29 H ATOM 1045 HZ3 LYS A 72 -4.626 11.444 -8.776 1.00 0.29 H ATOM 1046 N CYS A 73 -8.373 9.340 -4.167 1.00 -0.46 N ATOM 1047 CA CYS A 73 -9.661 8.941 -3.597 1.00 0.04 C ATOM 1048 C CYS A 73 -10.001 9.797 -2.393 1.00 0.62 C ATOM 1049 O CYS A 73 -11.170 10.088 -2.199 1.00 -0.50 O ATOM 1050 CB CYS A 73 -9.648 7.467 -3.119 1.00 -0.10 C ATOM 1051 SG CYS A 73 -11.318 7.045 -2.511 1.00 0.82 S ATOM 1052 H CYS A 73 -7.567 8.757 -4.022 1.00 0.25 H ATOM 1053 HA CYS A 73 -10.443 9.049 -4.369 1.00 0.05 H ATOM 1054 HB2 CYS A 73 -9.385 6.797 -3.952 1.00 0.05 H ATOM 1055 HB3 CYS A 73 -8.914 7.331 -2.307 1.00 0.05 H ATOM 1056 N GLY A 74 -8.991 10.170 -1.573 1.00 -0.46 N ATOM 1057 CA GLY A 74 -9.223 10.971 -0.367 1.00 0.04 C ATOM 1058 C GLY A 74 -9.019 10.186 0.914 1.00 0.62 C ATOM 1059 O GLY A 74 -9.816 10.336 1.826 1.00 -0.50 O ATOM 1060 H GLY A 74 -8.055 9.896 -1.787 1.00 0.25 H ATOM 1061 HA2 GLY A 74 -8.504 11.805 -0.351 1.00 0.03 H ATOM 1062 HA3 GLY A 74 -10.229 11.420 -0.364 1.00 0.03 H ATOM 1063 N VAL A 75 -7.952 9.360 1.018 1.00 -0.46 N ATOM 1064 CA VAL A 75 -7.677 8.607 2.246 1.00 0.04 C ATOM 1065 C VAL A 75 -6.284 8.016 2.134 1.00 0.62 C ATOM 1066 O VAL A 75 -5.900 7.724 1.013 1.00 -0.50 O ATOM 1067 CB VAL A 75 -8.759 7.514 2.503 1.00 -0.01 C ATOM 1068 CG1 VAL A 75 -9.031 6.672 1.226 1.00 -0.09 C ATOM 1069 CG2 VAL A 75 -8.384 6.604 3.705 1.00 -0.09 C ATOM 1070 H VAL A 75 -7.312 9.245 0.256 1.00 0.25 H ATOM 1071 HA VAL A 75 -7.669 9.313 3.092 1.00 0.05 H ATOM 1072 HB VAL A 75 -9.707 8.016 2.765 1.00 0.02 H ATOM 1073 HG11 VAL A 75 -9.779 5.890 1.431 1.00 0.03 H ATOM 1074 HG12 VAL A 75 -9.412 7.309 0.413 1.00 0.03 H ATOM 1075 HG13 VAL A 75 -8.109 6.189 0.883 1.00 0.03 H ATOM 1076 HG21 VAL A 75 -9.211 5.914 3.930 1.00 0.03 H ATOM 1077 HG22 VAL A 75 -7.486 6.006 3.489 1.00 0.03 H ATOM 1078 HG23 VAL A 75 -8.196 7.213 4.602 1.00 0.03 H ATOM 1079 N ASN A 76 -5.498 7.849 3.224 1.00 -0.46 N ATOM 1080 CA ASN A 76 -4.108 7.411 3.068 1.00 0.04 C ATOM 1081 C ASN A 76 -3.635 6.593 4.250 1.00 0.62 C ATOM 1082 O ASN A 76 -4.416 6.399 5.168 1.00 -0.50 O ATOM 1083 CB ASN A 76 -3.249 8.688 2.853 1.00 -0.09 C ATOM 1084 CG ASN A 76 -3.200 9.558 4.085 1.00 0.68 C ATOM 1085 OD1 ASN A 76 -3.928 9.313 5.033 1.00 -0.47 O ATOM 1086 ND2 ASN A 76 -2.346 10.601 4.100 1.00 -0.87 N ATOM 1087 H ASN A 76 -5.809 8.097 4.144 1.00 0.25 H ATOM 1088 HA ASN A 76 -4.008 6.735 2.204 1.00 0.05 H ATOM 1089 HB2 ASN A 76 -2.222 8.424 2.559 1.00 0.04 H ATOM 1090 HB3 ASN A 76 -3.687 9.286 2.038 1.00 0.04 H ATOM 1091 HD21 ASN A 76 -1.757 10.803 3.317 1.00 0.34 H ATOM 1092 HD22 ASN A 76 -2.303 11.183 4.912 1.00 0.34 H ATOM 1093 N LEU A 77 -2.374 6.100 4.242 1.00 -0.46 N ATOM 1094 CA LEU A 77 -1.886 5.285 5.356 1.00 0.04 C ATOM 1095 C LEU A 77 -1.413 6.187 6.477 1.00 0.62 C ATOM 1096 O LEU A 77 -1.232 7.360 6.188 1.00 -0.50 O ATOM 1097 CB LEU A 77 -0.712 4.375 4.901 1.00 -0.06 C ATOM 1098 CG LEU A 77 -1.027 3.507 3.648 1.00 -0.01 C ATOM 1099 CD1 LEU A 77 0.192 2.589 3.361 1.00 -0.11 C ATOM 1100 CD2 LEU A 77 -2.338 2.684 3.807 1.00 -0.11 C ATOM 1101 H LEU A 77 -1.738 6.323 3.502 1.00 0.25 H ATOM 1102 HA LEU A 77 -2.702 4.644 5.711 1.00 0.05 H ATOM 1103 HB2 LEU A 77 0.162 5.011 4.686 1.00 0.03 H ATOM 1104 HB3 LEU A 77 -0.431 3.695 5.715 1.00 0.03 H ATOM 1105 HG LEU A 77 -1.141 4.166 2.775 1.00 0.03 H ATOM 1106 HD11 LEU A 77 0.016 1.958 2.478 1.00 0.03 H ATOM 1107 HD12 LEU A 77 1.086 3.199 3.188 1.00 0.03 H ATOM 1108 HD13 LEU A 77 0.405 1.945 4.221 1.00 0.03 H ATOM 1109 HD21 LEU A 77 -2.421 1.918 3.025 1.00 0.03 H ATOM 1110 HD22 LEU A 77 -2.366 2.175 4.778 1.00 0.03 H ATOM 1111 HD23 LEU A 77 -3.221 3.336 3.729 1.00 0.03 H ATOM 1112 N PRO A 78 -1.168 5.750 7.743 1.00 -0.23 N ATOM 1113 CA PRO A 78 -0.618 6.684 8.720 1.00 0.04 C ATOM 1114 C PRO A 78 0.711 7.275 8.296 1.00 0.53 C ATOM 1115 O PRO A 78 1.068 8.318 8.819 1.00 -0.50 O ATOM 1116 CB PRO A 78 -0.463 5.753 9.949 1.00 -0.12 C ATOM 1117 CG PRO A 78 -1.515 4.648 9.704 1.00 -0.12 C ATOM 1118 CD PRO A 78 -1.381 4.375 8.190 1.00 -0.01 C ATOM 1119 HA PRO A 78 -1.362 7.473 8.922 1.00 0.05 H ATOM 1120 HB2 PRO A 78 0.537 5.289 9.949 1.00 0.06 H ATOM 1121 HB3 PRO A 78 -0.605 6.279 10.906 1.00 0.06 H ATOM 1122 HG2 PRO A 78 -1.340 3.755 10.323 1.00 0.06 H ATOM 1123 HG3 PRO A 78 -2.524 5.039 9.911 1.00 0.06 H ATOM 1124 HD2 PRO A 78 -0.483 3.761 8.019 1.00 0.06 H ATOM 1125 HD3 PRO A 78 -2.272 3.854 7.809 1.00 0.06 H ATOM 1126 N TYR A 79 1.447 6.625 7.359 1.00 -0.46 N ATOM 1127 CA TYR A 79 2.744 7.129 6.900 1.00 0.04 C ATOM 1128 C TYR A 79 2.709 7.297 5.394 1.00 0.62 C ATOM 1129 O TYR A 79 3.627 6.866 4.716 1.00 -0.50 O ATOM 1130 CB TYR A 79 3.866 6.165 7.383 1.00 -0.10 C ATOM 1131 CG TYR A 79 3.629 4.731 6.880 1.00 -0.03 C ATOM 1132 CD1 TYR A 79 2.740 3.887 7.558 1.00 0.00 C ATOM 1133 CD2 TYR A 79 4.285 4.245 5.742 1.00 0.00 C ATOM 1134 CE1 TYR A 79 2.393 2.642 7.027 1.00 -0.26 C ATOM 1135 CE2 TYR A 79 3.984 2.973 5.248 1.00 -0.26 C ATOM 1136 CZ TYR A 79 3.079 2.147 5.913 1.00 0.46 C ATOM 1137 OH TYR A 79 2.881 0.845 5.455 1.00 -0.53 O ATOM 1138 H TYR A 79 1.122 5.781 6.939 1.00 0.25 H ATOM 1139 HA TYR A 79 2.963 8.132 7.301 1.00 0.05 H ATOM 1140 HB2 TYR A 79 4.843 6.541 7.038 1.00 0.04 H ATOM 1141 HB3 TYR A 79 3.885 6.157 8.485 1.00 0.04 H ATOM 1142 HD1 TYR A 79 2.304 4.201 8.500 1.00 0.06 H ATOM 1143 HD2 TYR A 79 5.032 4.846 5.234 1.00 0.06 H ATOM 1144 HE1 TYR A 79 1.590 2.071 7.479 1.00 0.10 H ATOM 1145 HE2 TYR A 79 4.450 2.614 4.343 1.00 0.10 H ATOM 1146 HH TYR A 79 2.560 0.264 6.135 1.00 0.33 H ATOM 1147 N THR A 80 1.641 7.929 4.855 1.00 -0.46 N ATOM 1148 CA THR A 80 1.537 8.142 3.407 1.00 0.04 C ATOM 1149 C THR A 80 1.752 6.853 2.639 1.00 0.62 C ATOM 1150 O THR A 80 0.776 6.142 2.459 1.00 -0.50 O ATOM 1151 CB THR A 80 2.441 9.302 2.903 1.00 0.17 C ATOM 1152 OG1 THR A 80 3.822 8.919 3.017 1.00 -0.55 O ATOM 1153 CG2 THR A 80 2.181 10.593 3.722 1.00 -0.19 C ATOM 1154 H THR A 80 0.908 8.278 5.446 1.00 0.25 H ATOM 1155 HA THR A 80 0.500 8.452 3.183 1.00 0.05 H ATOM 1156 HB THR A 80 2.210 9.488 1.837 1.00 0.08 H ATOM 1157 HG1 THR A 80 4.423 9.595 2.717 1.00 0.31 H ATOM 1158 HG21 THR A 80 1.117 10.874 3.679 1.00 0.07 H ATOM 1159 HG22 THR A 80 2.465 10.436 4.774 1.00 0.07 H ATOM 1160 HG23 THR A 80 2.778 11.426 3.321 1.00 0.07 H ATOM 1161 N ILE A 81 2.983 6.513 2.177 1.00 -0.46 N ATOM 1162 CA ILE A 81 3.184 5.243 1.468 1.00 0.04 C ATOM 1163 C ILE A 81 4.668 4.919 1.332 1.00 0.62 C ATOM 1164 O ILE A 81 5.423 5.822 1.011 1.00 -0.50 O ATOM 1165 CB ILE A 81 2.372 5.231 0.125 1.00 -0.01 C ATOM 1166 CG1 ILE A 81 1.322 4.077 0.026 1.00 -0.05 C ATOM 1167 CG2 ILE A 81 3.266 5.329 -1.143 1.00 -0.09 C ATOM 1168 CD1 ILE A 81 1.893 2.643 0.184 1.00 -0.09 C ATOM 1169 H ILE A 81 3.773 7.106 2.345 1.00 0.25 H ATOM 1170 HA ILE A 81 2.777 4.499 2.163 1.00 0.05 H ATOM 1171 HB ILE A 81 1.776 6.161 0.087 1.00 0.02 H ATOM 1172 HG12 ILE A 81 0.551 4.213 0.799 1.00 0.03 H ATOM 1173 HG13 ILE A 81 0.816 4.139 -0.952 1.00 0.03 H ATOM 1174 HG21 ILE A 81 2.651 5.471 -2.045 1.00 0.03 H ATOM 1175 HG22 ILE A 81 3.954 6.184 -1.066 1.00 0.03 H ATOM 1176 HG23 ILE A 81 3.858 4.420 -1.279 1.00 0.03 H ATOM 1177 HD11 ILE A 81 2.668 2.458 -0.569 1.00 0.03 H ATOM 1178 HD12 ILE A 81 2.321 2.464 1.176 1.00 0.03 H ATOM 1179 HD13 ILE A 81 1.086 1.904 0.058 1.00 0.03 H ATOM 1180 N SER A 82 5.141 3.672 1.588 1.00 -0.46 N ATOM 1181 CA SER A 82 6.585 3.401 1.608 1.00 0.04 C ATOM 1182 C SER A 82 7.245 3.257 0.254 1.00 0.62 C ATOM 1183 O SER A 82 8.464 3.332 0.261 1.00 -0.50 O ATOM 1184 CB SER A 82 6.931 2.120 2.419 1.00 0.02 C ATOM 1185 OG SER A 82 8.339 1.849 2.498 1.00 -0.55 O ATOM 1186 H SER A 82 4.522 2.928 1.825 1.00 0.25 H ATOM 1187 HA SER A 82 7.082 4.231 2.137 1.00 0.05 H ATOM 1188 HB2 SER A 82 6.570 2.214 3.451 1.00 0.12 H ATOM 1189 HB3 SER A 82 6.443 1.255 1.965 1.00 0.12 H ATOM 1190 HG SER A 82 8.756 1.762 1.645 1.00 0.31 H ATOM 1191 N LEU A 83 6.561 3.050 -0.896 1.00 -0.46 N ATOM 1192 CA LEU A 83 7.282 2.927 -2.173 1.00 0.04 C ATOM 1193 C LEU A 83 8.436 3.913 -2.242 1.00 0.62 C ATOM 1194 O LEU A 83 9.554 3.493 -2.496 1.00 -0.50 O ATOM 1195 CB LEU A 83 6.405 3.176 -3.441 1.00 -0.06 C ATOM 1196 CG LEU A 83 5.651 1.950 -4.048 1.00 -0.01 C ATOM 1197 CD1 LEU A 83 6.610 0.837 -4.565 1.00 -0.11 C ATOM 1198 CD2 LEU A 83 4.587 1.362 -3.088 1.00 -0.11 C ATOM 1199 H LEU A 83 5.574 2.937 -0.877 1.00 0.25 H ATOM 1200 HA LEU A 83 7.718 1.919 -2.215 1.00 0.05 H ATOM 1201 HB2 LEU A 83 5.690 3.985 -3.221 1.00 0.03 H ATOM 1202 HB3 LEU A 83 7.058 3.538 -4.253 1.00 0.03 H ATOM 1203 HG LEU A 83 5.111 2.338 -4.931 1.00 0.03 H ATOM 1204 HD11 LEU A 83 6.053 0.120 -5.184 1.00 0.03 H ATOM 1205 HD12 LEU A 83 7.408 1.270 -5.188 1.00 0.03 H ATOM 1206 HD13 LEU A 83 7.074 0.275 -3.741 1.00 0.03 H ATOM 1207 HD21 LEU A 83 3.957 2.162 -2.678 1.00 0.03 H ATOM 1208 HD22 LEU A 83 3.937 0.649 -3.616 1.00 0.03 H ATOM 1209 HD23 LEU A 83 5.069 0.837 -2.257 1.00 0.03 H ATOM 1210 N ASN A 84 8.174 5.224 -2.023 1.00 -0.46 N ATOM 1211 CA ASN A 84 9.239 6.231 -2.108 1.00 0.04 C ATOM 1212 C ASN A 84 9.824 6.592 -0.751 1.00 0.62 C ATOM 1213 O ASN A 84 10.710 7.431 -0.735 1.00 -0.50 O ATOM 1214 CB ASN A 84 8.668 7.460 -2.875 1.00 -0.09 C ATOM 1215 CG ASN A 84 9.719 8.374 -3.463 1.00 0.68 C ATOM 1216 OD1 ASN A 84 9.874 8.406 -4.673 1.00 -0.47 O ATOM 1217 ND2 ASN A 84 10.464 9.144 -2.647 1.00 -0.87 N ATOM 1218 H ASN A 84 7.247 5.525 -1.788 1.00 0.25 H ATOM 1219 HA ASN A 84 10.073 5.854 -2.724 1.00 0.05 H ATOM 1220 HB2 ASN A 84 8.047 7.090 -3.709 1.00 0.04 H ATOM 1221 HB3 ASN A 84 8.015 8.045 -2.213 1.00 0.04 H ATOM 1222 HD21 ASN A 84 10.356 9.097 -1.653 1.00 0.34 H ATOM 1223 HD22 ASN A 84 11.155 9.750 -3.040 1.00 0.34 H ATOM 1224 N ILE A 85 9.372 6.005 0.389 1.00 -0.46 N ATOM 1225 CA ILE A 85 9.913 6.343 1.710 1.00 0.04 C ATOM 1226 C ILE A 85 10.257 5.053 2.453 1.00 0.62 C ATOM 1227 O ILE A 85 11.188 4.402 2.005 1.00 -0.50 O ATOM 1228 CB ILE A 85 9.014 7.375 2.472 1.00 -0.01 C ATOM 1229 CG1 ILE A 85 8.600 8.599 1.593 1.00 -0.05 C ATOM 1230 CG2 ILE A 85 9.761 7.884 3.742 1.00 -0.09 C ATOM 1231 CD1 ILE A 85 7.315 8.363 0.749 1.00 -0.09 C ATOM 1232 H ILE A 85 8.649 5.323 0.365 1.00 0.25 H ATOM 1233 HA ILE A 85 10.891 6.837 1.590 1.00 0.05 H ATOM 1234 HB ILE A 85 8.072 6.894 2.777 1.00 0.02 H ATOM 1235 HG12 ILE A 85 8.371 9.464 2.238 1.00 0.03 H ATOM 1236 HG13 ILE A 85 9.439 8.895 0.945 1.00 0.03 H ATOM 1237 HG21 ILE A 85 10.622 8.504 3.449 1.00 0.03 H ATOM 1238 HG22 ILE A 85 9.089 8.496 4.364 1.00 0.03 H ATOM 1239 HG23 ILE A 85 10.135 7.060 4.366 1.00 0.03 H ATOM 1240 HD11 ILE A 85 7.123 9.233 0.103 1.00 0.03 H ATOM 1241 HD12 ILE A 85 7.390 7.473 0.113 1.00 0.03 H ATOM 1242 HD13 ILE A 85 6.446 8.232 1.413 1.00 0.03 H ATOM 1243 N ASP A 86 9.581 4.625 3.551 1.00 -0.46 N ATOM 1244 CA ASP A 86 10.029 3.450 4.306 1.00 0.04 C ATOM 1245 C ASP A 86 8.907 2.864 5.143 1.00 0.62 C ATOM 1246 O ASP A 86 7.868 3.494 5.264 1.00 -0.50 O ATOM 1247 CB ASP A 86 11.212 3.854 5.228 1.00 -0.40 C ATOM 1248 CG ASP A 86 12.502 3.908 4.457 1.00 0.71 C ATOM 1249 OD1 ASP A 86 12.961 2.809 4.028 1.00 -0.72 O ATOM 1250 OD2 ASP A 86 13.061 5.022 4.282 1.00 -0.72 O ATOM 1251 H ASP A 86 8.792 5.105 3.929 1.00 0.25 H ATOM 1252 HA ASP A 86 10.357 2.656 3.620 1.00 0.05 H ATOM 1253 HB2 ASP A 86 10.993 4.824 5.702 1.00 0.07 H ATOM 1254 HB3 ASP A 86 11.367 3.117 6.030 1.00 0.07 H ATOM 1255 N CYS A 87 9.105 1.660 5.736 1.00 -0.46 N ATOM 1256 CA CYS A 87 8.075 1.080 6.601 1.00 0.04 C ATOM 1257 C CYS A 87 7.525 2.096 7.580 1.00 0.62 C ATOM 1258 O CYS A 87 6.316 2.132 7.746 1.00 -0.50 O ATOM 1259 CB CYS A 87 8.634 -0.103 7.436 1.00 -0.10 C ATOM 1260 SG CYS A 87 8.975 -1.555 6.391 1.00 0.82 S ATOM 1261 H CYS A 87 9.956 1.158 5.579 1.00 0.25 H ATOM 1262 HA CYS A 87 7.249 0.728 5.963 1.00 0.05 H ATOM 1263 HB2 CYS A 87 9.571 0.204 7.923 1.00 0.05 H ATOM 1264 HB3 CYS A 87 7.907 -0.400 8.208 1.00 0.05 H ATOM 1265 N SER A 88 8.391 2.909 8.233 1.00 -0.46 N ATOM 1266 CA SER A 88 7.897 3.954 9.134 1.00 0.04 C ATOM 1267 C SER A 88 6.907 3.376 10.124 1.00 0.62 C ATOM 1268 O SER A 88 5.713 3.573 9.964 1.00 -0.50 O ATOM 1269 CB SER A 88 7.300 5.082 8.258 1.00 0.02 C ATOM 1270 OG SER A 88 8.340 5.571 7.391 1.00 -0.55 O ATOM 1271 H SER A 88 9.376 2.855 8.060 1.00 0.25 H ATOM 1272 HA SER A 88 8.733 4.397 9.703 1.00 0.05 H ATOM 1273 HB2 SER A 88 6.467 4.683 7.659 1.00 0.12 H ATOM 1274 HB3 SER A 88 6.920 5.893 8.903 1.00 0.12 H ATOM 1275 HG SER A 88 8.043 6.258 6.802 1.00 0.31 H ATOM 1276 N ARG A 89 7.392 2.643 11.156 1.00 -0.46 N ATOM 1277 CA ARG A 89 6.480 1.932 12.047 1.00 0.04 C ATOM 1278 C ARG A 89 6.098 2.844 13.197 1.00 0.62 C ATOM 1279 O ARG A 89 4.926 3.149 13.350 1.00 -0.50 O ATOM 1280 CB ARG A 89 7.050 0.587 12.594 1.00 -0.08 C ATOM 1281 CG ARG A 89 7.538 -0.430 11.517 1.00 -0.10 C ATOM 1282 CD ARG A 89 8.989 -0.202 10.998 1.00 -0.23 C ATOM 1283 NE ARG A 89 9.480 -1.354 10.233 1.00 -0.32 N ATOM 1284 CZ ARG A 89 10.731 -1.504 9.851 1.00 0.76 C ATOM 1285 NH1 ARG A 89 11.648 -0.589 10.044 1.00 -0.62 N ATOM 1286 NH2 ARG A 89 11.080 -2.614 9.248 1.00 -0.62 N ATOM 1287 H ARG A 89 8.372 2.614 11.350 1.00 0.25 H ATOM 1288 HA ARG A 89 5.563 1.662 11.494 1.00 0.05 H ATOM 1289 HB2 ARG A 89 7.864 0.756 13.313 1.00 0.06 H ATOM 1290 HB3 ARG A 89 6.221 0.121 13.152 1.00 0.06 H ATOM 1291 HG2 ARG A 89 7.525 -1.427 11.985 1.00 0.07 H ATOM 1292 HG3 ARG A 89 6.847 -0.452 10.664 1.00 0.07 H ATOM 1293 HD2 ARG A 89 9.026 0.685 10.350 1.00 0.13 H ATOM 1294 HD3 ARG A 89 9.627 -0.050 11.884 1.00 0.13 H ATOM 1295 HE ARG A 89 8.802 -2.096 10.010 1.00 0.27 H ATOM 1296 HH11 ARG A 89 11.430 0.307 10.495 1.00 0.36 H ATOM 1297 HH12 ARG A 89 12.621 -0.741 9.742 1.00 0.36 H ATOM 1298 HH21 ARG A 89 10.401 -3.380 9.108 1.00 0.36 H ATOM 1299 HH22 ARG A 89 12.048 -2.769 8.934 1.00 0.36 H ATOM 1300 N VAL A 90 7.076 3.286 14.023 1.00 -0.46 N ATOM 1301 CA VAL A 90 6.769 4.086 15.211 1.00 0.04 C ATOM 1302 C VAL A 90 7.743 5.240 15.279 1.00 0.62 C ATOM 1303 O VAL A 90 8.858 5.145 14.788 1.00 -0.50 O ATOM 1304 CB VAL A 90 6.877 3.186 16.478 1.00 -0.01 C ATOM 1305 CG1 VAL A 90 6.556 3.980 17.775 1.00 -0.09 C ATOM 1306 CG2 VAL A 90 5.934 1.954 16.369 1.00 -0.09 C ATOM 1307 OXT VAL A 90 7.304 6.345 15.891 1.00 0.00 O ATOM 1308 H VAL A 90 8.038 3.053 13.866 1.00 0.25 H ATOM 1309 HA VAL A 90 5.755 4.514 15.162 1.00 0.05 H ATOM 1310 HB VAL A 90 7.913 2.811 16.547 1.00 0.02 H ATOM 1311 HG11 VAL A 90 5.545 4.413 17.719 1.00 0.03 H ATOM 1312 HG12 VAL A 90 6.602 3.316 18.652 1.00 0.03 H ATOM 1313 HG13 VAL A 90 7.281 4.792 17.933 1.00 0.03 H ATOM 1314 HG21 VAL A 90 6.025 1.323 17.267 1.00 0.03 H ATOM 1315 HG22 VAL A 90 4.888 2.282 16.280 1.00 0.03 H ATOM 1316 HG23 VAL A 90 6.186 1.334 15.496 1.00 0.03 H ATOM 1317 HXT VAL A 90 7.951 7.042 15.908 1.00 0.00 H