USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 TYR OH : rot -134:sc= 0.956 USER MOD Set 1.2: A 102 HIS : no HE2:sc= -0.932 X(o=0.93,f=0.73) USER MOD Set 1.3: A 105 SER OG : rot -90:sc= 0.908 USER MOD Set 2.1: A 89 HIS : no HD1:sc= 1.04 K(o=2.3,f=-4.1!) USER MOD Set 2.2: A 119 THR OG1 : rot 70:sc= 1.29 USER MOD Set 3.1: A 64 MET CE :methyl 179:sc= -0.0442 (180deg=-0.0448) USER MOD Set 3.2: A 67 GLN : amide:sc= 1.15 K(o=1.1,f=-0.37) USER MOD Set 4.1: A 28 HIS : no HD1:sc= 1.05 K(o=2.3,f=-5.1!) USER MOD Set 4.2: A 40 SER OG : rot -95:sc= 1.27 USER MOD Single : A 21 LYS NZ :NH3+ -158:sc= 2.07 (180deg=1.38) USER MOD Single : A 29 SER OG : rot 120:sc= 0.977 USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= 1.16 (180deg=0.98) USER MOD Single : A 47 TYR OH : rot 167:sc= 1.29 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0.902 K(o=0.9,f=-4.3!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 147:sc= 1.8 USER MOD Single : A 65 GLN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 170:sc= 0 USER MOD Single : A 71 CYS SG : rot 80:sc= -1.95 USER MOD Single : A 73 CYS SG : rot 137:sc= 0.804 USER MOD Single : A 91 TYR OH : rot 30:sc= 0.203 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 110:sc= 0.239 USER MOD Single : A 95 MET CE :methyl -172:sc= 0 (180deg=-0.081) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.0714 X(o=-0.071,f=-0.071) USER MOD Single : A 106 THR OG1 : rot 33:sc= 0.43 USER MOD Single : A 108 LYS NZ :NH3+ -116:sc= 0.626 (180deg=-0.351) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD ----------------------------------------------------------------- ATOM 46 N ALA A 4 -7.333 -8.769 16.344 1.00 0.00 N ATOM 47 CA ALA A 4 -6.849 -9.033 14.991 1.00 0.00 C ATOM 48 C ALA A 4 -5.476 -9.726 15.029 1.00 0.00 C ATOM 49 O ALA A 4 -4.936 -10.019 16.098 1.00 0.00 O ATOM 50 CB ALA A 4 -6.804 -7.714 14.203 1.00 0.00 C ATOM 0 HA ALA A 4 -7.532 -9.714 14.484 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.443 -7.906 13.192 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.805 -7.284 14.156 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.132 -7.015 14.701 1.00 0.00 H new ATOM 56 N ASP A 5 -4.887 -9.954 13.856 1.00 0.00 N ATOM 57 CA ASP A 5 -3.515 -10.423 13.671 1.00 0.00 C ATOM 58 C ASP A 5 -3.042 -9.888 12.320 1.00 0.00 C ATOM 59 O ASP A 5 -3.871 -9.672 11.432 1.00 0.00 O ATOM 60 CB ASP A 5 -3.463 -11.956 13.685 1.00 0.00 C ATOM 61 CG ASP A 5 -2.032 -12.457 13.443 1.00 0.00 C ATOM 62 OD1 ASP A 5 -1.261 -12.574 14.421 1.00 0.00 O ATOM 63 OD2 ASP A 5 -1.673 -12.707 12.273 1.00 0.00 O ATOM 0 H ASP A 5 -5.374 -9.811 12.971 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.873 -10.069 14.478 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.826 -12.328 14.643 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.127 -12.354 12.917 1.00 0.00 H new ATOM 68 N LEU A 6 -1.735 -9.669 12.141 1.00 0.00 N ATOM 69 CA LEU A 6 -1.183 -9.089 10.920 1.00 0.00 C ATOM 70 C LEU A 6 -1.551 -9.894 9.668 1.00 0.00 C ATOM 71 O LEU A 6 -1.721 -9.304 8.598 1.00 0.00 O ATOM 72 CB LEU A 6 0.346 -8.955 11.029 1.00 0.00 C ATOM 73 CG LEU A 6 0.877 -8.035 12.149 1.00 0.00 C ATOM 74 CD1 LEU A 6 2.400 -7.913 12.036 1.00 0.00 C ATOM 75 CD2 LEU A 6 0.265 -6.631 12.111 1.00 0.00 C ATOM 0 H LEU A 6 -1.030 -9.891 12.844 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.628 -8.100 10.813 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.766 -9.950 11.176 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.725 -8.587 10.076 1.00 0.00 H new ATOM 0 HG LEU A 6 0.589 -8.494 13.095 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.773 -7.263 12.828 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.852 -8.900 12.134 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.660 -7.489 11.066 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.678 -6.032 12.923 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.498 -6.158 11.157 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.817 -6.702 12.227 1.00 0.00 H new ATOM 87 N ALA A 7 -1.705 -11.218 9.775 1.00 0.00 N ATOM 88 CA ALA A 7 -2.089 -12.066 8.657 1.00 0.00 C ATOM 89 C ALA A 7 -3.530 -11.805 8.193 1.00 0.00 C ATOM 90 O ALA A 7 -3.856 -12.087 7.039 1.00 0.00 O ATOM 91 CB ALA A 7 -1.925 -13.540 9.044 1.00 0.00 C ATOM 0 H ALA A 7 -1.564 -11.728 10.647 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.431 -11.824 7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.214 -14.171 8.204 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.884 -13.735 9.303 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.560 -13.764 9.901 1.00 0.00 H new ATOM 97 N LEU A 8 -4.395 -11.289 9.074 1.00 0.00 N ATOM 98 CA LEU A 8 -5.811 -11.068 8.782 1.00 0.00 C ATOM 99 C LEU A 8 -6.038 -9.720 8.093 1.00 0.00 C ATOM 100 O LEU A 8 -7.094 -9.525 7.489 1.00 0.00 O ATOM 101 CB LEU A 8 -6.649 -11.133 10.074 1.00 0.00 C ATOM 102 CG LEU A 8 -6.597 -12.482 10.819 1.00 0.00 C ATOM 103 CD1 LEU A 8 -7.401 -12.385 12.121 1.00 0.00 C ATOM 104 CD2 LEU A 8 -7.143 -13.641 9.975 1.00 0.00 C ATOM 0 H LEU A 8 -4.126 -11.011 10.018 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.129 -11.860 8.104 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.308 -10.349 10.750 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.687 -10.912 9.827 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.548 -12.692 11.030 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.362 -13.340 12.645 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.976 -11.606 12.754 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.438 -12.139 11.891 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.083 -14.567 10.547 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.182 -13.442 9.713 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.552 -13.738 9.064 1.00 0.00 H new ATOM 116 N ILE A 9 -5.084 -8.785 8.181 1.00 0.00 N ATOM 117 CA ILE A 9 -5.203 -7.473 7.549 1.00 0.00 C ATOM 118 C ILE A 9 -5.228 -7.686 6.024 1.00 0.00 C ATOM 119 O ILE A 9 -4.351 -8.399 5.524 1.00 0.00 O ATOM 120 CB ILE A 9 -4.029 -6.544 7.949 1.00 0.00 C ATOM 121 CG1 ILE A 9 -3.836 -6.465 9.483 1.00 0.00 C ATOM 122 CG2 ILE A 9 -4.269 -5.134 7.380 1.00 0.00 C ATOM 123 CD1 ILE A 9 -2.580 -5.706 9.927 1.00 0.00 C ATOM 0 H ILE A 9 -4.211 -8.920 8.692 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.120 -6.987 7.883 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.117 -6.969 7.529 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.710 -5.984 9.922 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.794 -7.478 9.884 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.442 -4.482 7.662 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.335 -5.187 6.293 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.200 -4.733 7.781 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.524 -5.700 11.016 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.696 -6.197 9.521 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.626 -4.681 9.560 1.00 0.00 H new ATOM 135 N PRO A 10 -6.173 -7.073 5.280 1.00 0.00 N ATOM 136 CA PRO A 10 -6.150 -7.034 3.822 1.00 0.00 C ATOM 137 C PRO A 10 -4.780 -6.562 3.330 1.00 0.00 C ATOM 138 O PRO A 10 -4.364 -5.434 3.615 1.00 0.00 O ATOM 139 CB PRO A 10 -7.280 -6.088 3.410 1.00 0.00 C ATOM 140 CG PRO A 10 -8.267 -6.193 4.569 1.00 0.00 C ATOM 141 CD PRO A 10 -7.352 -6.378 5.778 1.00 0.00 C ATOM 0 HA PRO A 10 -6.304 -8.016 3.376 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.922 -5.067 3.278 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.734 -6.391 2.466 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.881 -5.297 4.660 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.948 -7.035 4.445 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.083 -5.417 6.216 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.847 -6.957 6.558 1.00 0.00 H new ATOM 149 N ASP A 11 -4.068 -7.439 2.627 1.00 0.00 N ATOM 150 CA ASP A 11 -2.666 -7.223 2.285 1.00 0.00 C ATOM 151 C ASP A 11 -2.489 -6.119 1.240 1.00 0.00 C ATOM 152 O ASP A 11 -1.604 -5.270 1.360 1.00 0.00 O ATOM 153 CB ASP A 11 -2.071 -8.544 1.798 1.00 0.00 C ATOM 154 CG ASP A 11 -0.549 -8.485 1.861 1.00 0.00 C ATOM 155 OD1 ASP A 11 0.014 -8.773 2.938 1.00 0.00 O ATOM 156 OD2 ASP A 11 0.104 -8.161 0.852 1.00 0.00 O ATOM 0 H ASP A 11 -4.447 -8.319 2.279 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.137 -6.885 3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.437 -9.366 2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.393 -8.743 0.776 1.00 0.00 H new ATOM 161 N VAL A 12 -3.392 -6.077 0.259 1.00 0.00 N ATOM 162 CA VAL A 12 -3.442 -5.063 -0.783 1.00 0.00 C ATOM 163 C VAL A 12 -4.920 -4.759 -1.005 1.00 0.00 C ATOM 164 O VAL A 12 -5.739 -5.683 -1.050 1.00 0.00 O ATOM 165 CB VAL A 12 -2.785 -5.578 -2.084 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.740 -4.501 -3.179 1.00 0.00 C ATOM 167 CG2 VAL A 12 -1.367 -6.124 -1.883 1.00 0.00 C ATOM 0 H VAL A 12 -4.131 -6.774 0.169 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.893 -4.168 -0.491 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.427 -6.400 -2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.270 -4.911 -4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.755 -4.181 -3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.164 -3.646 -2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.970 -6.467 -2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.727 -5.336 -1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.394 -6.958 -1.181 1.00 0.00 H new ATOM 177 N ASP A 13 -5.257 -3.483 -1.171 1.00 0.00 N ATOM 178 CA ASP A 13 -6.577 -3.042 -1.607 1.00 0.00 C ATOM 179 C ASP A 13 -6.394 -1.705 -2.318 1.00 0.00 C ATOM 180 O ASP A 13 -5.977 -0.726 -1.698 1.00 0.00 O ATOM 181 CB ASP A 13 -7.555 -2.913 -0.433 1.00 0.00 C ATOM 182 CG ASP A 13 -8.868 -2.250 -0.877 1.00 0.00 C ATOM 183 OD1 ASP A 13 -9.370 -2.558 -1.982 1.00 0.00 O ATOM 184 OD2 ASP A 13 -9.410 -1.429 -0.104 1.00 0.00 O ATOM 0 H ASP A 13 -4.609 -2.714 -1.003 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.012 -3.782 -2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.764 -3.900 -0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.098 -2.324 0.362 1.00 0.00 H new ATOM 189 N ILE A 14 -6.632 -1.690 -3.630 1.00 0.00 N ATOM 190 CA ILE A 14 -6.315 -0.574 -4.521 1.00 0.00 C ATOM 191 C ILE A 14 -7.471 -0.352 -5.514 1.00 0.00 C ATOM 192 O ILE A 14 -7.256 -0.091 -6.698 1.00 0.00 O ATOM 193 CB ILE A 14 -4.927 -0.775 -5.190 1.00 0.00 C ATOM 194 CG1 ILE A 14 -4.816 -2.109 -5.968 1.00 0.00 C ATOM 195 CG2 ILE A 14 -3.793 -0.650 -4.153 1.00 0.00 C ATOM 196 CD1 ILE A 14 -3.541 -2.225 -6.816 1.00 0.00 C ATOM 0 H ILE A 14 -7.063 -2.477 -4.116 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.224 0.348 -3.947 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.822 0.022 -5.926 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.847 -2.936 -5.259 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.685 -2.214 -6.618 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.832 -0.795 -4.646 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.823 0.341 -3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.922 -1.407 -3.380 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.533 -3.185 -7.332 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.517 -1.419 -7.549 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.666 -2.153 -6.170 1.00 0.00 H new ATOM 266 N PHE A 20 -3.781 6.702 -9.890 1.00 0.00 N ATOM 267 CA PHE A 20 -4.129 7.178 -8.559 1.00 0.00 C ATOM 268 C PHE A 20 -2.911 7.026 -7.647 1.00 0.00 C ATOM 269 O PHE A 20 -1.989 6.257 -7.945 1.00 0.00 O ATOM 270 CB PHE A 20 -5.347 6.420 -8.008 1.00 0.00 C ATOM 271 CG PHE A 20 -5.278 4.905 -8.114 1.00 0.00 C ATOM 272 CD1 PHE A 20 -4.622 4.151 -7.125 1.00 0.00 C ATOM 273 CD2 PHE A 20 -5.862 4.248 -9.214 1.00 0.00 C ATOM 274 CE1 PHE A 20 -4.552 2.752 -7.232 1.00 0.00 C ATOM 275 CE2 PHE A 20 -5.784 2.848 -9.327 1.00 0.00 C ATOM 276 CZ PHE A 20 -5.132 2.098 -8.333 1.00 0.00 C ATOM 0 HA PHE A 20 -4.407 8.231 -8.606 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.476 6.688 -6.959 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.236 6.764 -8.536 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.170 4.649 -6.280 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.372 4.821 -9.974 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.051 2.178 -6.467 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.225 2.349 -10.177 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.077 1.023 -8.415 1.00 0.00 H new ATOM 286 N LYS A 21 -2.896 7.790 -6.552 1.00 0.00 N ATOM 287 CA LYS A 21 -1.817 7.792 -5.574 1.00 0.00 C ATOM 288 C LYS A 21 -1.903 6.523 -4.730 1.00 0.00 C ATOM 289 O LYS A 21 -2.995 5.983 -4.542 1.00 0.00 O ATOM 290 CB LYS A 21 -1.944 9.026 -4.663 1.00 0.00 C ATOM 291 CG LYS A 21 -2.200 10.375 -5.363 1.00 0.00 C ATOM 292 CD LYS A 21 -1.173 10.762 -6.441 1.00 0.00 C ATOM 293 CE LYS A 21 -1.688 11.934 -7.295 1.00 0.00 C ATOM 294 NZ LYS A 21 -1.765 13.220 -6.563 1.00 0.00 N ATOM 0 H LYS A 21 -3.651 8.436 -6.320 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.858 7.826 -6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.757 8.848 -3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.028 9.114 -4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.189 10.346 -5.821 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.221 11.160 -4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.230 11.038 -5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.970 9.903 -7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.034 12.057 -8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.678 11.685 -7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.439 13.852 -7.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.084 13.046 -5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.826 13.666 -6.545 1.00 0.00 H new ATOM 308 N TYR A 22 -0.782 6.080 -4.167 1.00 0.00 N ATOM 309 CA TYR A 22 -0.724 4.930 -3.276 1.00 0.00 C ATOM 310 C TYR A 22 0.357 5.176 -2.212 1.00 0.00 C ATOM 311 O TYR A 22 1.242 6.014 -2.408 1.00 0.00 O ATOM 312 CB TYR A 22 -0.495 3.639 -4.098 1.00 0.00 C ATOM 313 CG TYR A 22 0.900 3.078 -3.961 1.00 0.00 C ATOM 314 CD1 TYR A 22 1.965 3.683 -4.648 1.00 0.00 C ATOM 315 CD2 TYR A 22 1.147 2.087 -2.995 1.00 0.00 C ATOM 316 CE1 TYR A 22 3.286 3.350 -4.314 1.00 0.00 C ATOM 317 CE2 TYR A 22 2.465 1.753 -2.654 1.00 0.00 C ATOM 318 CZ TYR A 22 3.539 2.401 -3.300 1.00 0.00 C ATOM 319 OH TYR A 22 4.818 2.130 -2.928 1.00 0.00 O ATOM 0 H TYR A 22 0.126 6.519 -4.321 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.670 4.795 -2.751 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.215 2.884 -3.782 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.693 3.847 -5.149 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.768 4.401 -5.430 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.321 1.583 -2.515 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.109 3.819 -4.832 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.657 1.003 -1.901 1.00 0.00 H new ATOM 0 HH TYR A 22 4.941 1.160 -2.863 1.00 0.00 H new ATOM 329 N VAL A 23 0.309 4.434 -1.106 1.00 0.00 N ATOM 330 CA VAL A 23 1.325 4.429 -0.060 1.00 0.00 C ATOM 331 C VAL A 23 1.652 2.985 0.321 1.00 0.00 C ATOM 332 O VAL A 23 0.811 2.084 0.218 1.00 0.00 O ATOM 333 CB VAL A 23 0.889 5.258 1.171 1.00 0.00 C ATOM 334 CG1 VAL A 23 0.869 6.763 0.869 1.00 0.00 C ATOM 335 CG2 VAL A 23 -0.479 4.828 1.722 1.00 0.00 C ATOM 0 H VAL A 23 -0.465 3.800 -0.909 1.00 0.00 H new ATOM 0 HA VAL A 23 2.226 4.906 -0.446 1.00 0.00 H new ATOM 0 HB VAL A 23 1.639 5.059 1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.558 7.309 1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.867 7.088 0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.168 6.962 0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.734 5.444 2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.238 4.954 0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.437 3.781 2.023 1.00 0.00 H new ATOM 345 N LEU A 24 2.885 2.787 0.786 1.00 0.00 N ATOM 346 CA LEU A 24 3.406 1.515 1.263 1.00 0.00 C ATOM 347 C LEU A 24 3.530 1.674 2.768 1.00 0.00 C ATOM 348 O LEU A 24 4.284 2.539 3.217 1.00 0.00 O ATOM 349 CB LEU A 24 4.762 1.257 0.593 1.00 0.00 C ATOM 350 CG LEU A 24 5.562 0.039 1.088 1.00 0.00 C ATOM 351 CD1 LEU A 24 4.763 -1.267 1.048 1.00 0.00 C ATOM 352 CD2 LEU A 24 6.812 -0.066 0.206 1.00 0.00 C ATOM 0 H LEU A 24 3.571 3.540 0.841 1.00 0.00 H new ATOM 0 HA LEU A 24 2.768 0.664 1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.595 1.141 -0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.380 2.145 0.725 1.00 0.00 H new ATOM 0 HG LEU A 24 5.819 0.187 2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.385 -2.085 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.881 -1.174 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.453 -1.473 0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.411 -0.920 0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.513 -0.199 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.402 0.846 0.301 1.00 0.00 H new ATOM 364 N ILE A 25 2.779 0.900 3.549 1.00 0.00 N ATOM 365 CA ILE A 25 2.655 1.107 4.987 1.00 0.00 C ATOM 366 C ILE A 25 3.146 -0.152 5.681 1.00 0.00 C ATOM 367 O ILE A 25 2.610 -1.240 5.471 1.00 0.00 O ATOM 368 CB ILE A 25 1.203 1.493 5.365 1.00 0.00 C ATOM 369 CG1 ILE A 25 0.867 2.898 4.814 1.00 0.00 C ATOM 370 CG2 ILE A 25 0.990 1.462 6.892 1.00 0.00 C ATOM 371 CD1 ILE A 25 -0.599 3.311 4.999 1.00 0.00 C ATOM 0 H ILE A 25 2.238 0.109 3.199 1.00 0.00 H new ATOM 0 HA ILE A 25 3.269 1.945 5.318 1.00 0.00 H new ATOM 0 HB ILE A 25 0.534 0.758 4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.505 3.632 5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.110 2.927 3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.039 1.738 7.121 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.189 0.458 7.267 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.670 2.168 7.369 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.751 4.308 4.586 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.245 2.602 4.482 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.844 3.317 6.061 1.00 0.00 H new ATOM 383 N ARG A 26 4.190 -0.002 6.492 1.00 0.00 N ATOM 384 CA ARG A 26 4.635 -1.038 7.403 1.00 0.00 C ATOM 385 C ARG A 26 3.680 -0.999 8.589 1.00 0.00 C ATOM 386 O ARG A 26 3.242 0.083 8.984 1.00 0.00 O ATOM 387 CB ARG A 26 6.082 -0.751 7.825 1.00 0.00 C ATOM 388 CG ARG A 26 6.697 -1.940 8.581 1.00 0.00 C ATOM 389 CD ARG A 26 8.232 -1.929 8.584 1.00 0.00 C ATOM 390 NE ARG A 26 8.820 -0.699 9.153 1.00 0.00 N ATOM 391 CZ ARG A 26 10.116 -0.541 9.459 1.00 0.00 C ATOM 392 NH1 ARG A 26 10.971 -1.556 9.348 1.00 0.00 N ATOM 393 NH2 ARG A 26 10.558 0.638 9.877 1.00 0.00 N ATOM 0 H ARG A 26 4.751 0.849 6.531 1.00 0.00 H new ATOM 0 HA ARG A 26 4.625 -2.029 6.949 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.682 -0.531 6.942 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.108 0.136 8.458 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.338 -1.932 9.610 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.348 -2.869 8.129 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.591 -2.788 9.151 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.589 -2.051 7.561 1.00 0.00 H new ATOM 0 HE ARG A 26 8.194 0.088 9.326 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.643 -2.467 9.027 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.954 -1.423 9.584 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.912 1.423 9.965 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.544 0.760 10.110 1.00 0.00 H new ATOM 407 N VAL A 27 3.385 -2.150 9.171 1.00 0.00 N ATOM 408 CA VAL A 27 2.490 -2.303 10.301 1.00 0.00 C ATOM 409 C VAL A 27 3.127 -3.331 11.239 1.00 0.00 C ATOM 410 O VAL A 27 3.848 -4.224 10.787 1.00 0.00 O ATOM 411 CB VAL A 27 1.067 -2.637 9.789 1.00 0.00 C ATOM 412 CG1 VAL A 27 0.997 -3.854 8.852 1.00 0.00 C ATOM 413 CG2 VAL A 27 0.071 -2.830 10.936 1.00 0.00 C ATOM 0 H VAL A 27 3.779 -3.036 8.855 1.00 0.00 H new ATOM 0 HA VAL A 27 2.356 -1.390 10.882 1.00 0.00 H new ATOM 0 HB VAL A 27 0.789 -1.761 9.202 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.035 -4.016 8.542 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.616 -3.673 7.973 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.361 -4.738 9.376 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.913 -3.062 10.528 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.403 -3.650 11.572 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.013 -1.915 11.525 1.00 0.00 H new ATOM 423 N HIS A 28 2.893 -3.196 12.542 1.00 0.00 N ATOM 424 CA HIS A 28 3.572 -3.938 13.596 1.00 0.00 C ATOM 425 C HIS A 28 2.513 -4.511 14.538 1.00 0.00 C ATOM 426 O HIS A 28 1.477 -3.872 14.761 1.00 0.00 O ATOM 427 CB HIS A 28 4.495 -2.987 14.373 1.00 0.00 C ATOM 428 CG HIS A 28 5.451 -2.200 13.509 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.607 -2.672 12.935 1.00 0.00 N ATOM 430 CD2 HIS A 28 5.330 -0.885 13.144 1.00 0.00 C ATOM 431 CE1 HIS A 28 7.177 -1.665 12.253 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.431 -0.548 12.343 1.00 0.00 N ATOM 0 H HIS A 28 2.199 -2.542 12.904 1.00 0.00 H new ATOM 0 HA HIS A 28 4.169 -4.744 13.170 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.881 -2.289 14.943 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.070 -3.568 15.094 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.525 -0.222 13.425 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.106 -1.741 11.707 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.626 0.358 11.916 1.00 0.00 H new ATOM 440 N SER A 29 2.766 -5.697 15.095 1.00 0.00 N ATOM 441 CA SER A 29 1.845 -6.380 15.989 1.00 0.00 C ATOM 442 C SER A 29 1.576 -5.550 17.251 1.00 0.00 C ATOM 443 O SER A 29 2.441 -5.424 18.121 1.00 0.00 O ATOM 444 CB SER A 29 2.411 -7.744 16.398 1.00 0.00 C ATOM 445 OG SER A 29 2.743 -8.561 15.291 1.00 0.00 O ATOM 0 H SER A 29 3.631 -6.213 14.932 1.00 0.00 H new ATOM 0 HA SER A 29 0.907 -6.517 15.451 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.300 -7.593 17.010 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.680 -8.263 17.019 1.00 0.00 H new ATOM 0 HG SER A 29 3.699 -8.774 15.317 1.00 0.00 H new ATOM 451 N ALA A 30 0.367 -4.995 17.344 1.00 0.00 N ATOM 452 CA ALA A 30 -0.180 -4.370 18.541 1.00 0.00 C ATOM 453 C ALA A 30 -1.726 -4.482 18.614 1.00 0.00 C ATOM 454 O ALA A 30 -2.330 -3.644 19.287 1.00 0.00 O ATOM 455 CB ALA A 30 0.309 -2.912 18.616 1.00 0.00 C ATOM 0 H ALA A 30 -0.280 -4.969 16.556 1.00 0.00 H new ATOM 0 HA ALA A 30 0.186 -4.907 19.416 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.097 -2.438 19.510 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.398 -2.895 18.659 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.028 -2.369 17.733 1.00 0.00 H new ATOM 461 N PRO A 31 -2.425 -5.433 17.941 1.00 0.00 N ATOM 462 CA PRO A 31 -3.882 -5.400 17.887 1.00 0.00 C ATOM 463 C PRO A 31 -4.486 -5.499 19.292 1.00 0.00 C ATOM 464 O PRO A 31 -4.057 -6.308 20.123 1.00 0.00 O ATOM 465 CB PRO A 31 -4.320 -6.521 16.948 1.00 0.00 C ATOM 466 CG PRO A 31 -3.164 -7.509 17.001 1.00 0.00 C ATOM 467 CD PRO A 31 -1.949 -6.620 17.237 1.00 0.00 C ATOM 0 HA PRO A 31 -4.249 -4.451 17.496 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.253 -6.978 17.278 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.486 -6.153 15.935 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.293 -8.235 17.804 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.075 -8.073 16.073 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.196 -7.143 17.827 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.480 -6.347 16.292 1.00 0.00 H new ATOM 561 N GLU A 39 5.663 -8.966 15.749 1.00 0.00 N ATOM 562 CA GLU A 39 6.119 -9.088 14.375 1.00 0.00 C ATOM 563 C GLU A 39 5.826 -7.783 13.617 1.00 0.00 C ATOM 564 O GLU A 39 5.270 -6.831 14.178 1.00 0.00 O ATOM 565 CB GLU A 39 5.421 -10.292 13.707 1.00 0.00 C ATOM 566 CG GLU A 39 5.591 -11.626 14.455 1.00 0.00 C ATOM 567 CD GLU A 39 7.064 -12.001 14.698 1.00 0.00 C ATOM 568 OE1 GLU A 39 7.815 -12.214 13.719 1.00 0.00 O ATOM 569 OE2 GLU A 39 7.480 -12.119 15.873 1.00 0.00 O ATOM 0 HA GLU A 39 7.195 -9.260 14.353 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.357 -10.074 13.617 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.810 -10.406 12.695 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.075 -11.566 15.413 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.110 -12.420 13.883 1.00 0.00 H new ATOM 576 N SER A 40 6.165 -7.759 12.326 1.00 0.00 N ATOM 577 CA SER A 40 5.839 -6.675 11.410 1.00 0.00 C ATOM 578 C SER A 40 5.455 -7.262 10.047 1.00 0.00 C ATOM 579 O SER A 40 5.803 -8.403 9.725 1.00 0.00 O ATOM 580 CB SER A 40 7.014 -5.698 11.271 1.00 0.00 C ATOM 581 OG SER A 40 7.579 -5.328 12.521 1.00 0.00 O ATOM 0 H SER A 40 6.687 -8.514 11.882 1.00 0.00 H new ATOM 0 HA SER A 40 4.994 -6.114 11.811 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.786 -6.153 10.650 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.675 -4.801 10.752 1.00 0.00 H new ATOM 0 HG SER A 40 7.176 -4.489 12.827 1.00 0.00 H new ATOM 587 N LYS A 41 4.712 -6.485 9.263 1.00 0.00 N ATOM 588 CA LYS A 41 4.099 -6.842 7.985 1.00 0.00 C ATOM 589 C LYS A 41 3.971 -5.537 7.192 1.00 0.00 C ATOM 590 O LYS A 41 4.144 -4.457 7.758 1.00 0.00 O ATOM 591 CB LYS A 41 2.753 -7.528 8.308 1.00 0.00 C ATOM 592 CG LYS A 41 1.884 -8.018 7.136 1.00 0.00 C ATOM 593 CD LYS A 41 0.625 -7.150 6.964 1.00 0.00 C ATOM 594 CE LYS A 41 -0.274 -7.588 5.796 1.00 0.00 C ATOM 595 NZ LYS A 41 -0.797 -8.970 5.931 1.00 0.00 N ATOM 0 H LYS A 41 4.507 -5.520 9.522 1.00 0.00 H new ATOM 0 HA LYS A 41 4.674 -7.541 7.378 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.962 -8.385 8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.156 -6.830 8.895 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.468 -7.999 6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.592 -9.054 7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.046 -7.179 7.887 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.927 -6.114 6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.114 -6.897 5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.290 -7.512 4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.581 -9.111 5.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.038 -9.650 5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.139 -9.118 6.902 1.00 0.00 H new ATOM 609 N GLU A 42 3.662 -5.592 5.899 1.00 0.00 N ATOM 610 CA GLU A 42 3.461 -4.402 5.078 1.00 0.00 C ATOM 611 C GLU A 42 2.154 -4.557 4.308 1.00 0.00 C ATOM 612 O GLU A 42 1.803 -5.674 3.915 1.00 0.00 O ATOM 613 CB GLU A 42 4.627 -4.182 4.099 1.00 0.00 C ATOM 614 CG GLU A 42 6.007 -3.970 4.748 1.00 0.00 C ATOM 615 CD GLU A 42 6.676 -5.259 5.269 1.00 0.00 C ATOM 616 OE1 GLU A 42 6.690 -6.289 4.557 1.00 0.00 O ATOM 617 OE2 GLU A 42 7.243 -5.237 6.385 1.00 0.00 O ATOM 0 H GLU A 42 3.544 -6.468 5.389 1.00 0.00 H new ATOM 0 HA GLU A 42 3.418 -3.530 5.730 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.687 -5.043 3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.399 -3.315 3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.669 -3.502 4.019 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.900 -3.271 5.577 1.00 0.00 H new ATOM 624 N ILE A 43 1.471 -3.439 4.066 1.00 0.00 N ATOM 625 CA ILE A 43 0.233 -3.343 3.306 1.00 0.00 C ATOM 626 C ILE A 43 0.361 -2.228 2.271 1.00 0.00 C ATOM 627 O ILE A 43 1.166 -1.303 2.423 1.00 0.00 O ATOM 628 CB ILE A 43 -0.999 -3.146 4.226 1.00 0.00 C ATOM 629 CG1 ILE A 43 -0.938 -1.862 5.088 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.160 -4.398 5.091 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.155 -1.645 6.000 1.00 0.00 C ATOM 0 H ILE A 43 1.785 -2.533 4.413 1.00 0.00 H new ATOM 0 HA ILE A 43 0.067 -4.286 2.785 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.874 -3.007 3.591 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.040 -1.897 5.705 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.838 -1.001 4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.023 -4.279 5.746 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.309 -5.267 4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.263 -4.541 5.694 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.026 -0.722 6.566 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.057 -1.574 5.392 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.247 -2.484 6.690 1.00 0.00 H new ATOM 643 N VAL A 44 -0.437 -2.335 1.213 1.00 0.00 N ATOM 644 CA VAL A 44 -0.332 -1.508 0.021 1.00 0.00 C ATOM 645 C VAL A 44 -1.740 -1.002 -0.271 1.00 0.00 C ATOM 646 O VAL A 44 -2.643 -1.805 -0.520 1.00 0.00 O ATOM 647 CB VAL A 44 0.245 -2.360 -1.130 1.00 0.00 C ATOM 648 CG1 VAL A 44 0.432 -1.548 -2.417 1.00 0.00 C ATOM 649 CG2 VAL A 44 1.596 -2.997 -0.765 1.00 0.00 C ATOM 0 H VAL A 44 -1.193 -3.018 1.162 1.00 0.00 H new ATOM 0 HA VAL A 44 0.339 -0.658 0.148 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.492 -3.145 -1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.840 -2.191 -3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.531 -1.152 -2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.120 -0.723 -2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.960 -3.586 -1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.317 -2.213 -0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.470 -3.644 0.103 1.00 0.00 H new ATOM 659 N ARG A 45 -1.947 0.315 -0.205 1.00 0.00 N ATOM 660 CA ARG A 45 -3.260 0.933 -0.380 1.00 0.00 C ATOM 661 C ARG A 45 -3.091 2.162 -1.253 1.00 0.00 C ATOM 662 O ARG A 45 -2.051 2.818 -1.194 1.00 0.00 O ATOM 663 CB ARG A 45 -3.868 1.335 0.979 1.00 0.00 C ATOM 664 CG ARG A 45 -4.057 0.197 1.996 1.00 0.00 C ATOM 665 CD ARG A 45 -5.015 -0.913 1.549 1.00 0.00 C ATOM 666 NE ARG A 45 -5.038 -2.019 2.526 1.00 0.00 N ATOM 667 CZ ARG A 45 -5.735 -2.043 3.669 1.00 0.00 C ATOM 668 NH1 ARG A 45 -6.586 -1.061 3.967 1.00 0.00 N ATOM 669 NH2 ARG A 45 -5.567 -3.052 4.516 1.00 0.00 N ATOM 0 H ARG A 45 -1.201 0.987 -0.027 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.938 0.219 -0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.230 2.096 1.429 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.838 1.799 0.798 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.084 -0.246 2.209 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.425 0.621 2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.019 -0.506 1.432 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.709 -1.291 0.574 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.472 -2.840 2.311 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.711 -0.281 3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.112 -1.089 4.841 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.911 -3.801 4.294 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.094 -3.078 5.389 1.00 0.00 H new ATOM 683 N GLY A 46 -4.105 2.500 -2.038 1.00 0.00 N ATOM 684 CA GLY A 46 -4.074 3.653 -2.915 1.00 0.00 C ATOM 685 C GLY A 46 -5.360 3.715 -3.705 1.00 0.00 C ATOM 686 O GLY A 46 -5.843 2.676 -4.157 1.00 0.00 O ATOM 0 H GLY A 46 -4.978 1.974 -2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.948 4.565 -2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.221 3.587 -3.591 1.00 0.00 H new ATOM 690 N TYR A 47 -5.925 4.913 -3.843 1.00 0.00 N ATOM 691 CA TYR A 47 -7.256 5.081 -4.405 1.00 0.00 C ATOM 692 C TYR A 47 -7.375 6.474 -4.999 1.00 0.00 C ATOM 693 O TYR A 47 -6.722 7.410 -4.532 1.00 0.00 O ATOM 694 CB TYR A 47 -8.336 4.933 -3.321 1.00 0.00 C ATOM 695 CG TYR A 47 -8.195 3.755 -2.374 1.00 0.00 C ATOM 696 CD1 TYR A 47 -7.379 3.890 -1.236 1.00 0.00 C ATOM 697 CD2 TYR A 47 -8.915 2.564 -2.584 1.00 0.00 C ATOM 698 CE1 TYR A 47 -7.313 2.861 -0.283 1.00 0.00 C ATOM 699 CE2 TYR A 47 -8.848 1.524 -1.639 1.00 0.00 C ATOM 700 CZ TYR A 47 -8.060 1.677 -0.472 1.00 0.00 C ATOM 701 OH TYR A 47 -8.046 0.723 0.497 1.00 0.00 O ATOM 0 H TYR A 47 -5.474 5.786 -3.570 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.402 4.315 -5.166 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.350 5.847 -2.727 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.305 4.859 -3.814 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.800 4.791 -1.095 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.520 2.448 -3.471 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.692 2.975 0.593 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.397 0.609 -1.803 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.762 0.076 0.329 1.00 0.00 H new ATOM 711 N LYS A 48 -8.260 6.633 -5.983 1.00 0.00 N ATOM 712 CA LYS A 48 -8.511 7.916 -6.636 1.00 0.00 C ATOM 713 C LYS A 48 -8.995 8.991 -5.658 1.00 0.00 C ATOM 714 O LYS A 48 -8.727 10.169 -5.892 1.00 0.00 O ATOM 715 CB LYS A 48 -9.467 7.723 -7.828 1.00 0.00 C ATOM 716 CG LYS A 48 -10.895 7.298 -7.431 1.00 0.00 C ATOM 717 CD LYS A 48 -11.733 6.831 -8.634 1.00 0.00 C ATOM 718 CE LYS A 48 -11.929 7.888 -9.736 1.00 0.00 C ATOM 719 NZ LYS A 48 -12.772 9.033 -9.304 1.00 0.00 N ATOM 0 H LYS A 48 -8.827 5.869 -6.351 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.563 8.290 -7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.521 8.655 -8.391 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.049 6.971 -8.497 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.839 6.493 -6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.397 8.136 -6.947 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.256 5.954 -9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.713 6.515 -8.275 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.954 8.261 -10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.386 7.416 -10.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.867 9.710 -10.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.714 8.687 -9.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.326 9.505 -8.492 1.00 0.00 H new ATOM 733 N TRP A 49 -9.687 8.618 -4.572 1.00 0.00 N ATOM 734 CA TRP A 49 -10.150 9.588 -3.584 1.00 0.00 C ATOM 735 C TRP A 49 -8.993 10.199 -2.783 1.00 0.00 C ATOM 736 O TRP A 49 -9.107 11.351 -2.359 1.00 0.00 O ATOM 737 CB TRP A 49 -11.250 8.997 -2.683 1.00 0.00 C ATOM 738 CG TRP A 49 -11.087 7.608 -2.124 1.00 0.00 C ATOM 739 CD1 TRP A 49 -11.783 6.523 -2.534 1.00 0.00 C ATOM 740 CD2 TRP A 49 -10.259 7.135 -1.012 1.00 0.00 C ATOM 741 NE1 TRP A 49 -11.462 5.430 -1.756 1.00 0.00 N ATOM 742 CE2 TRP A 49 -10.530 5.749 -0.792 1.00 0.00 C ATOM 743 CE3 TRP A 49 -9.306 7.730 -0.161 1.00 0.00 C ATOM 744 CZ2 TRP A 49 -9.886 5.003 0.209 1.00 0.00 C ATOM 745 CZ3 TRP A 49 -8.610 6.978 0.804 1.00 0.00 C ATOM 746 CH2 TRP A 49 -8.886 5.612 0.985 1.00 0.00 C ATOM 0 H TRP A 49 -9.935 7.652 -4.361 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.604 10.414 -4.131 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.380 9.675 -1.839 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.180 9.013 -3.251 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.488 6.514 -3.352 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.865 4.501 -1.879 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.105 8.787 -0.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.157 3.972 0.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.856 7.456 1.412 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.335 5.036 1.714 1.00 0.00 H new ATOM 757 N ALA A 50 -7.874 9.488 -2.598 1.00 0.00 N ATOM 758 CA ALA A 50 -6.699 10.030 -1.935 1.00 0.00 C ATOM 759 C ALA A 50 -5.844 10.767 -2.962 1.00 0.00 C ATOM 760 O ALA A 50 -4.833 10.254 -3.438 1.00 0.00 O ATOM 761 CB ALA A 50 -5.922 8.939 -1.203 1.00 0.00 C ATOM 0 H ALA A 50 -7.765 8.522 -2.906 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.007 10.743 -1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.050 9.377 -0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.563 8.478 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.598 8.182 -1.917 1.00 0.00 H new ATOM 767 N GLU A 51 -6.259 11.981 -3.321 1.00 0.00 N ATOM 768 CA GLU A 51 -5.480 12.863 -4.187 1.00 0.00 C ATOM 769 C GLU A 51 -4.138 13.252 -3.530 1.00 0.00 C ATOM 770 O GLU A 51 -3.206 13.641 -4.232 1.00 0.00 O ATOM 771 CB GLU A 51 -6.348 14.088 -4.529 1.00 0.00 C ATOM 772 CG GLU A 51 -5.717 15.099 -5.501 1.00 0.00 C ATOM 773 CD GLU A 51 -5.320 14.491 -6.861 1.00 0.00 C ATOM 774 OE1 GLU A 51 -6.210 14.017 -7.604 1.00 0.00 O ATOM 775 OE2 GLU A 51 -4.118 14.513 -7.213 1.00 0.00 O ATOM 0 H GLU A 51 -7.147 12.381 -3.018 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.216 12.348 -5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.287 13.737 -4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.594 14.607 -3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.421 15.914 -5.670 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.832 15.533 -5.035 1.00 0.00 H new ATOM 782 N TYR A 52 -4.001 13.101 -2.209 1.00 0.00 N ATOM 783 CA TYR A 52 -2.795 13.396 -1.439 1.00 0.00 C ATOM 784 C TYR A 52 -2.486 12.175 -0.572 1.00 0.00 C ATOM 785 O TYR A 52 -3.402 11.467 -0.138 1.00 0.00 O ATOM 786 CB TYR A 52 -2.945 14.697 -0.628 1.00 0.00 C ATOM 787 CG TYR A 52 -4.359 15.121 -0.271 1.00 0.00 C ATOM 788 CD1 TYR A 52 -5.136 15.798 -1.229 1.00 0.00 C ATOM 789 CD2 TYR A 52 -4.892 14.857 1.004 1.00 0.00 C ATOM 790 CE1 TYR A 52 -6.449 16.199 -0.928 1.00 0.00 C ATOM 791 CE2 TYR A 52 -6.204 15.257 1.316 1.00 0.00 C ATOM 792 CZ TYR A 52 -6.990 15.928 0.351 1.00 0.00 C ATOM 793 OH TYR A 52 -8.261 16.309 0.665 1.00 0.00 O ATOM 0 H TYR A 52 -4.762 12.755 -1.625 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.950 13.579 -2.103 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.379 14.588 0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.480 15.505 -1.193 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.720 16.011 -2.203 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.293 14.347 1.744 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.043 16.712 -1.670 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.612 15.051 2.295 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.465 16.040 1.585 1.00 0.00 H new ATOM 803 N HIS A 53 -1.205 11.894 -0.339 1.00 0.00 N ATOM 804 CA HIS A 53 -0.762 10.652 0.283 1.00 0.00 C ATOM 805 C HIS A 53 -1.102 10.655 1.767 1.00 0.00 C ATOM 806 O HIS A 53 -1.410 9.599 2.328 1.00 0.00 O ATOM 807 CB HIS A 53 0.744 10.464 0.074 1.00 0.00 C ATOM 808 CG HIS A 53 1.126 10.366 -1.382 1.00 0.00 C ATOM 809 ND1 HIS A 53 1.553 11.417 -2.203 1.00 0.00 N ATOM 810 CD2 HIS A 53 1.079 9.224 -2.121 1.00 0.00 C ATOM 811 CE1 HIS A 53 1.772 10.872 -3.410 1.00 0.00 C ATOM 812 NE2 HIS A 53 1.496 9.559 -3.386 1.00 0.00 N ATOM 0 H HIS A 53 -0.442 12.527 -0.579 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.282 9.817 -0.187 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.276 11.300 0.529 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.068 9.561 0.591 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.774 8.246 -1.780 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.121 11.413 -4.277 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.582 8.918 -4.175 1.00 0.00 H new ATOM 820 N ALA A 54 -1.126 11.838 2.387 1.00 0.00 N ATOM 821 CA ALA A 54 -1.620 12.000 3.746 1.00 0.00 C ATOM 822 C ALA A 54 -3.032 11.428 3.931 1.00 0.00 C ATOM 823 O ALA A 54 -3.342 10.967 5.028 1.00 0.00 O ATOM 824 CB ALA A 54 -1.592 13.479 4.143 1.00 0.00 C ATOM 0 H ALA A 54 -0.803 12.705 1.957 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.957 11.432 4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.964 13.589 5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.569 13.851 4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.223 14.050 3.463 1.00 0.00 H new ATOM 830 N ASP A 55 -3.885 11.437 2.897 1.00 0.00 N ATOM 831 CA ASP A 55 -5.272 11.001 3.047 1.00 0.00 C ATOM 832 C ASP A 55 -5.347 9.494 3.282 1.00 0.00 C ATOM 833 O ASP A 55 -6.002 9.045 4.224 1.00 0.00 O ATOM 834 CB ASP A 55 -6.109 11.364 1.817 1.00 0.00 C ATOM 835 CG ASP A 55 -7.604 11.263 2.155 1.00 0.00 C ATOM 836 OD1 ASP A 55 -8.122 12.149 2.873 1.00 0.00 O ATOM 837 OD2 ASP A 55 -8.266 10.313 1.694 1.00 0.00 O ATOM 0 H ASP A 55 -3.637 11.740 1.955 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.679 11.522 3.914 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.869 12.375 1.488 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.868 10.695 0.991 1.00 0.00 H new ATOM 842 N ILE A 56 -4.627 8.713 2.465 1.00 0.00 N ATOM 843 CA ILE A 56 -4.540 7.269 2.643 1.00 0.00 C ATOM 844 C ILE A 56 -3.776 6.944 3.918 1.00 0.00 C ATOM 845 O ILE A 56 -4.206 6.042 4.631 1.00 0.00 O ATOM 846 CB ILE A 56 -3.941 6.505 1.429 1.00 0.00 C ATOM 847 CG1 ILE A 56 -2.974 7.313 0.522 1.00 0.00 C ATOM 848 CG2 ILE A 56 -5.085 5.808 0.678 1.00 0.00 C ATOM 849 CD1 ILE A 56 -2.737 6.718 -0.873 1.00 0.00 C ATOM 0 H ILE A 56 -4.095 9.067 1.670 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.568 6.914 2.724 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.257 5.753 1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.368 8.323 0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.014 7.401 1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.682 5.267 -0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.586 5.108 1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.800 6.554 0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.048 7.355 -1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.309 5.720 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.685 6.656 -1.408 1.00 0.00 H new ATOM 861 N TYR A 57 -2.687 7.652 4.238 1.00 0.00 N ATOM 862 CA TYR A 57 -1.948 7.338 5.454 1.00 0.00 C ATOM 863 C TYR A 57 -2.843 7.526 6.683 1.00 0.00 C ATOM 864 O TYR A 57 -2.911 6.632 7.525 1.00 0.00 O ATOM 865 CB TYR A 57 -0.654 8.157 5.549 1.00 0.00 C ATOM 866 CG TYR A 57 0.181 7.816 6.774 1.00 0.00 C ATOM 867 CD1 TYR A 57 0.574 6.483 7.015 1.00 0.00 C ATOM 868 CD2 TYR A 57 0.549 8.822 7.687 1.00 0.00 C ATOM 869 CE1 TYR A 57 1.317 6.151 8.162 1.00 0.00 C ATOM 870 CE2 TYR A 57 1.301 8.502 8.831 1.00 0.00 C ATOM 871 CZ TYR A 57 1.682 7.164 9.080 1.00 0.00 C ATOM 872 OH TYR A 57 2.385 6.866 10.209 1.00 0.00 O ATOM 0 H TYR A 57 -2.310 8.423 3.687 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.650 6.290 5.418 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.058 7.988 4.652 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.904 9.218 5.571 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.302 5.710 6.312 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.252 9.845 7.508 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.608 5.127 8.341 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.588 9.281 9.522 1.00 0.00 H new ATOM 0 HH TYR A 57 2.547 7.687 10.720 1.00 0.00 H new ATOM 882 N ASP A 58 -3.590 8.634 6.761 1.00 0.00 N ATOM 883 CA ASP A 58 -4.496 8.894 7.874 1.00 0.00 C ATOM 884 C ASP A 58 -5.603 7.840 7.957 1.00 0.00 C ATOM 885 O ASP A 58 -5.847 7.296 9.033 1.00 0.00 O ATOM 886 CB ASP A 58 -5.116 10.289 7.754 1.00 0.00 C ATOM 887 CG ASP A 58 -6.113 10.538 8.898 1.00 0.00 C ATOM 888 OD1 ASP A 58 -5.673 10.800 10.040 1.00 0.00 O ATOM 889 OD2 ASP A 58 -7.340 10.499 8.658 1.00 0.00 O ATOM 0 H ASP A 58 -3.580 9.370 6.055 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.907 8.843 8.789 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.331 11.045 7.777 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.624 10.386 6.794 1.00 0.00 H new ATOM 894 N LYS A 59 -6.250 7.516 6.832 1.00 0.00 N ATOM 895 CA LYS A 59 -7.336 6.536 6.796 1.00 0.00 C ATOM 896 C LYS A 59 -6.834 5.149 7.187 1.00 0.00 C ATOM 897 O LYS A 59 -7.395 4.524 8.087 1.00 0.00 O ATOM 898 CB LYS A 59 -7.974 6.560 5.398 1.00 0.00 C ATOM 899 CG LYS A 59 -9.027 5.457 5.181 1.00 0.00 C ATOM 900 CD LYS A 59 -10.169 5.978 4.298 1.00 0.00 C ATOM 901 CE LYS A 59 -11.114 4.870 3.806 1.00 0.00 C ATOM 902 NZ LYS A 59 -11.915 4.256 4.896 1.00 0.00 N ATOM 0 H LYS A 59 -6.034 7.926 5.923 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.100 6.796 7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.440 7.532 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.190 6.455 4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.563 4.589 4.713 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.422 5.128 6.142 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.745 6.714 4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.746 6.494 3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.789 5.284 3.057 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.528 4.094 3.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.531 3.517 4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.277 3.834 5.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.499 4.986 5.352 1.00 0.00 H new ATOM 916 N VAL A 60 -5.796 4.658 6.516 1.00 0.00 N ATOM 917 CA VAL A 60 -5.358 3.279 6.643 1.00 0.00 C ATOM 918 C VAL A 60 -4.722 3.085 8.016 1.00 0.00 C ATOM 919 O VAL A 60 -5.155 2.201 8.753 1.00 0.00 O ATOM 920 CB VAL A 60 -4.422 2.921 5.471 1.00 0.00 C ATOM 921 CG1 VAL A 60 -3.855 1.500 5.609 1.00 0.00 C ATOM 922 CG2 VAL A 60 -5.171 3.027 4.129 1.00 0.00 C ATOM 0 H VAL A 60 -5.235 5.211 5.867 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.201 2.590 6.582 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.597 3.632 5.495 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.201 1.286 4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.287 1.423 6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.674 0.781 5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.495 2.771 3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.016 2.339 4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.533 4.046 3.994 1.00 0.00 H new ATOM 932 N SER A 61 -3.752 3.915 8.408 1.00 0.00 N ATOM 933 CA SER A 61 -3.118 3.773 9.711 1.00 0.00 C ATOM 934 C SER A 61 -4.098 4.087 10.841 1.00 0.00 C ATOM 935 O SER A 61 -3.971 3.503 11.913 1.00 0.00 O ATOM 936 CB SER A 61 -1.869 4.645 9.791 1.00 0.00 C ATOM 937 OG SER A 61 -1.004 4.296 8.727 1.00 0.00 O ATOM 0 H SER A 61 -3.394 4.685 7.843 1.00 0.00 H new ATOM 0 HA SER A 61 -2.812 2.734 9.833 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.139 5.699 9.728 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.368 4.501 10.748 1.00 0.00 H new ATOM 0 HG SER A 61 -0.521 5.093 8.423 1.00 0.00 H new ATOM 943 N GLY A 62 -5.104 4.939 10.608 1.00 0.00 N ATOM 944 CA GLY A 62 -6.192 5.152 11.547 1.00 0.00 C ATOM 945 C GLY A 62 -6.968 3.858 11.771 1.00 0.00 C ATOM 946 O GLY A 62 -7.203 3.482 12.916 1.00 0.00 O ATOM 0 H GLY A 62 -5.179 5.498 9.758 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.795 5.514 12.496 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.862 5.923 11.167 1.00 0.00 H new ATOM 950 N ASP A 63 -7.327 3.135 10.705 1.00 0.00 N ATOM 951 CA ASP A 63 -8.003 1.848 10.838 1.00 0.00 C ATOM 952 C ASP A 63 -7.116 0.828 11.547 1.00 0.00 C ATOM 953 O ASP A 63 -7.589 0.143 12.452 1.00 0.00 O ATOM 954 CB ASP A 63 -8.467 1.296 9.489 1.00 0.00 C ATOM 955 CG ASP A 63 -9.325 0.040 9.719 1.00 0.00 C ATOM 956 OD1 ASP A 63 -10.550 0.186 9.935 1.00 0.00 O ATOM 957 OD2 ASP A 63 -8.787 -1.088 9.674 1.00 0.00 O ATOM 0 H ASP A 63 -7.159 3.423 9.741 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.890 2.025 11.447 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.043 2.051 8.954 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.605 1.053 8.867 1.00 0.00 H new ATOM 962 N MET A 64 -5.821 0.776 11.215 1.00 0.00 N ATOM 963 CA MET A 64 -4.881 -0.114 11.893 1.00 0.00 C ATOM 964 C MET A 64 -4.830 0.212 13.382 1.00 0.00 C ATOM 965 O MET A 64 -4.922 -0.696 14.200 1.00 0.00 O ATOM 966 CB MET A 64 -3.474 -0.023 11.287 1.00 0.00 C ATOM 967 CG MET A 64 -3.379 -0.487 9.827 1.00 0.00 C ATOM 968 SD MET A 64 -3.932 -2.179 9.515 1.00 0.00 S ATOM 969 CE MET A 64 -5.562 -1.821 8.823 1.00 0.00 C ATOM 0 H MET A 64 -5.402 1.343 10.478 1.00 0.00 H new ATOM 0 HA MET A 64 -5.236 -1.135 11.757 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.131 1.010 11.350 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.793 -0.622 11.891 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.969 0.190 9.209 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.343 -0.395 9.501 1.00 0.00 H new ATOM 0 HE1 MET A 64 -6.054 -2.754 8.550 1.00 0.00 H new ATOM 0 HE2 MET A 64 -6.165 -1.296 9.564 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.452 -1.196 7.937 1.00 0.00 H new ATOM 979 N GLN A 65 -4.752 1.489 13.751 1.00 0.00 N ATOM 980 CA GLN A 65 -4.731 1.931 15.135 1.00 0.00 C ATOM 981 C GLN A 65 -6.061 1.652 15.845 1.00 0.00 C ATOM 982 O GLN A 65 -6.043 1.373 17.044 1.00 0.00 O ATOM 983 CB GLN A 65 -4.376 3.427 15.170 1.00 0.00 C ATOM 984 CG GLN A 65 -2.873 3.701 14.977 1.00 0.00 C ATOM 985 CD GLN A 65 -2.113 3.654 16.305 1.00 0.00 C ATOM 986 OE1 GLN A 65 -1.977 4.661 16.997 1.00 0.00 O ATOM 987 NE2 GLN A 65 -1.618 2.496 16.707 1.00 0.00 N ATOM 0 H GLN A 65 -4.701 2.256 13.081 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.974 1.365 15.678 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.936 3.944 14.391 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.695 3.847 16.124 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.454 2.964 14.292 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.738 4.679 14.515 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.734 1.664 16.129 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.120 2.435 17.595 1.00 0.00 H new ATOM 996 N LYS A 66 -7.202 1.659 15.144 1.00 0.00 N ATOM 997 CA LYS A 66 -8.473 1.204 15.714 1.00 0.00 C ATOM 998 C LYS A 66 -8.439 -0.309 15.948 1.00 0.00 C ATOM 999 O LYS A 66 -8.904 -0.761 16.997 1.00 0.00 O ATOM 1000 CB LYS A 66 -9.659 1.641 14.835 1.00 0.00 C ATOM 1001 CG LYS A 66 -9.927 3.150 14.995 1.00 0.00 C ATOM 1002 CD LYS A 66 -11.100 3.673 14.151 1.00 0.00 C ATOM 1003 CE LYS A 66 -10.801 3.667 12.643 1.00 0.00 C ATOM 1004 NZ LYS A 66 -11.915 4.252 11.854 1.00 0.00 N ATOM 0 H LYS A 66 -7.269 1.977 14.177 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.616 1.678 16.685 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.448 1.413 13.790 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.550 1.077 15.111 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.126 3.363 16.045 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.025 3.699 14.724 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.981 3.061 14.344 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.342 4.689 14.464 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.887 4.229 12.452 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.621 2.644 12.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.674 4.229 10.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.782 3.701 12.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.071 5.237 12.150 1.00 0.00 H new ATOM 1018 N GLN A 67 -7.844 -1.097 15.042 1.00 0.00 N ATOM 1019 CA GLN A 67 -7.581 -2.512 15.315 1.00 0.00 C ATOM 1020 C GLN A 67 -6.559 -2.658 16.456 1.00 0.00 C ATOM 1021 O GLN A 67 -6.575 -3.662 17.162 1.00 0.00 O ATOM 1022 CB GLN A 67 -7.115 -3.255 14.048 1.00 0.00 C ATOM 1023 CG GLN A 67 -8.177 -3.273 12.934 1.00 0.00 C ATOM 1024 CD GLN A 67 -7.745 -4.110 11.726 1.00 0.00 C ATOM 1025 OE1 GLN A 67 -7.294 -5.245 11.860 1.00 0.00 O ATOM 1026 NE2 GLN A 67 -7.883 -3.599 10.513 1.00 0.00 N ATOM 0 H GLN A 67 -7.539 -0.780 14.122 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.516 -2.974 15.632 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.208 -2.783 13.670 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.855 -4.280 14.310 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.110 -3.671 13.333 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.378 -2.251 12.611 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.257 -2.657 10.396 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.616 -4.147 9.695 1.00 0.00 H new ATOM 1035 N GLY A 68 -5.691 -1.664 16.662 1.00 0.00 N ATOM 1036 CA GLY A 68 -4.701 -1.536 17.731 1.00 0.00 C ATOM 1037 C GLY A 68 -3.272 -1.465 17.179 1.00 0.00 C ATOM 1038 O GLY A 68 -2.373 -0.954 17.846 1.00 0.00 O ATOM 0 H GLY A 68 -5.662 -0.862 16.032 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.910 -0.639 18.314 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.787 -2.385 18.409 1.00 0.00 H new ATOM 1042 N CYS A 69 -3.074 -1.967 15.958 1.00 0.00 N ATOM 1043 CA CYS A 69 -1.799 -2.080 15.266 1.00 0.00 C ATOM 1044 C CYS A 69 -1.130 -0.714 15.101 1.00 0.00 C ATOM 1045 O CYS A 69 -1.809 0.305 14.969 1.00 0.00 O ATOM 1046 CB CYS A 69 -2.064 -2.721 13.902 1.00 0.00 C ATOM 1047 SG CYS A 69 -2.568 -4.451 14.128 1.00 0.00 S ATOM 0 H CYS A 69 -3.848 -2.325 15.398 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.116 -2.696 15.851 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.844 -2.170 13.376 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.167 -2.671 13.285 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.997 -4.929 12.998 1.00 0.00 H new ATOM 1053 N ASP A 70 0.201 -0.697 15.063 1.00 0.00 N ATOM 1054 CA ASP A 70 1.012 0.516 14.915 1.00 0.00 C ATOM 1055 C ASP A 70 1.627 0.510 13.518 1.00 0.00 C ATOM 1056 O ASP A 70 1.953 -0.571 13.026 1.00 0.00 O ATOM 1057 CB ASP A 70 2.093 0.535 15.998 1.00 0.00 C ATOM 1058 CG ASP A 70 3.045 1.727 15.814 1.00 0.00 C ATOM 1059 OD1 ASP A 70 2.571 2.885 15.828 1.00 0.00 O ATOM 1060 OD2 ASP A 70 4.268 1.511 15.675 1.00 0.00 O ATOM 0 H ASP A 70 0.762 -1.546 15.136 1.00 0.00 H new ATOM 0 HA ASP A 70 0.403 1.412 15.032 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.625 0.589 16.981 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.660 -0.395 15.965 1.00 0.00 H new ATOM 1065 N CYS A 71 1.802 1.678 12.885 1.00 0.00 N ATOM 1066 CA CYS A 71 2.155 1.776 11.468 1.00 0.00 C ATOM 1067 C CYS A 71 3.174 2.871 11.153 1.00 0.00 C ATOM 1068 O CYS A 71 3.328 3.826 11.918 1.00 0.00 O ATOM 1069 CB CYS A 71 0.882 2.102 10.678 1.00 0.00 C ATOM 1070 SG CYS A 71 -0.306 0.755 10.803 1.00 0.00 S ATOM 0 H CYS A 71 1.702 2.583 13.346 1.00 0.00 H new ATOM 0 HA CYS A 71 2.604 0.821 11.194 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.438 3.022 11.058 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.132 2.277 9.632 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.933 0.834 11.939 1.00 0.00 H new ATOM 1076 N GLU A 72 3.791 2.779 9.970 1.00 0.00 N ATOM 1077 CA GLU A 72 4.683 3.777 9.406 1.00 0.00 C ATOM 1078 C GLU A 72 4.579 3.684 7.879 1.00 0.00 C ATOM 1079 O GLU A 72 4.805 2.611 7.318 1.00 0.00 O ATOM 1080 CB GLU A 72 6.104 3.457 9.900 1.00 0.00 C ATOM 1081 CG GLU A 72 7.172 4.325 9.231 1.00 0.00 C ATOM 1082 CD GLU A 72 8.558 4.069 9.842 1.00 0.00 C ATOM 1083 OE1 GLU A 72 9.043 2.918 9.784 1.00 0.00 O ATOM 1084 OE2 GLU A 72 9.176 5.019 10.377 1.00 0.00 O ATOM 0 H GLU A 72 3.672 1.970 9.360 1.00 0.00 H new ATOM 0 HA GLU A 72 4.426 4.792 9.710 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.150 3.600 10.980 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.323 2.407 9.708 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.198 4.114 8.162 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.911 5.377 9.342 1.00 0.00 H new ATOM 1091 N CYS A 73 4.221 4.771 7.189 1.00 0.00 N ATOM 1092 CA CYS A 73 4.324 4.818 5.733 1.00 0.00 C ATOM 1093 C CYS A 73 5.821 4.851 5.399 1.00 0.00 C ATOM 1094 O CYS A 73 6.539 5.761 5.820 1.00 0.00 O ATOM 1095 CB CYS A 73 3.551 6.015 5.139 1.00 0.00 C ATOM 1096 SG CYS A 73 3.830 7.524 6.109 1.00 0.00 S ATOM 0 H CYS A 73 3.860 5.624 7.615 1.00 0.00 H new ATOM 0 HA CYS A 73 3.860 3.941 5.281 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.865 6.179 4.108 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.485 5.787 5.115 1.00 0.00 H new ATOM 0 HG CYS A 73 4.017 8.528 5.305 1.00 0.00 H new ATOM 1102 N LEU A 74 6.306 3.854 4.655 1.00 0.00 N ATOM 1103 CA LEU A 74 7.671 3.856 4.141 1.00 0.00 C ATOM 1104 C LEU A 74 7.829 4.956 3.084 1.00 0.00 C ATOM 1105 O LEU A 74 8.933 5.462 2.887 1.00 0.00 O ATOM 1106 CB LEU A 74 8.042 2.478 3.564 1.00 0.00 C ATOM 1107 CG LEU A 74 7.994 1.304 4.566 1.00 0.00 C ATOM 1108 CD1 LEU A 74 8.572 0.045 3.907 1.00 0.00 C ATOM 1109 CD2 LEU A 74 8.767 1.578 5.863 1.00 0.00 C ATOM 0 H LEU A 74 5.765 3.029 4.395 1.00 0.00 H new ATOM 0 HA LEU A 74 8.355 4.063 4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.367 2.256 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.047 2.537 3.147 1.00 0.00 H new ATOM 0 HG LEU A 74 6.946 1.168 4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.538 -0.784 4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.984 -0.207 3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.605 0.230 3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.692 0.713 6.521 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.815 1.766 5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.344 2.451 6.361 1.00 0.00 H new ATOM 1121 N GLY A 75 6.731 5.342 2.427 1.00 0.00 N ATOM 1122 CA GLY A 75 6.637 6.495 1.548 1.00 0.00 C ATOM 1123 C GLY A 75 5.360 6.400 0.722 1.00 0.00 C ATOM 1124 O GLY A 75 4.495 5.560 1.002 1.00 0.00 O ATOM 0 H GLY A 75 5.850 4.833 2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.636 7.414 2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.506 6.537 0.891 1.00 0.00 H new ATOM 1128 N GLY A 76 5.260 7.237 -0.309 1.00 0.00 N ATOM 1129 CA GLY A 76 4.145 7.246 -1.244 1.00 0.00 C ATOM 1130 C GLY A 76 4.628 7.291 -2.688 1.00 0.00 C ATOM 1131 O GLY A 76 5.819 7.476 -2.951 1.00 0.00 O ATOM 0 H GLY A 76 5.968 7.941 -0.519 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.534 6.357 -1.091 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.509 8.108 -1.045 1.00 0.00 H new ATOM 1135 N GLY A 77 3.688 7.112 -3.612 1.00 0.00 N ATOM 1136 CA GLY A 77 3.914 7.065 -5.047 1.00 0.00 C ATOM 1137 C GLY A 77 2.574 7.065 -5.780 1.00 0.00 C ATOM 1138 O GLY A 77 1.547 7.429 -5.200 1.00 0.00 O ATOM 0 H GLY A 77 2.706 6.991 -3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.510 7.923 -5.359 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.481 6.171 -5.306 1.00 0.00 H new ATOM 1142 N ARG A 78 2.546 6.652 -7.044 1.00 0.00 N ATOM 1143 CA ARG A 78 1.326 6.480 -7.825 1.00 0.00 C ATOM 1144 C ARG A 78 1.476 5.248 -8.711 1.00 0.00 C ATOM 1145 O ARG A 78 2.583 4.718 -8.854 1.00 0.00 O ATOM 1146 CB ARG A 78 0.972 7.772 -8.587 1.00 0.00 C ATOM 1147 CG ARG A 78 1.766 8.048 -9.874 1.00 0.00 C ATOM 1148 CD ARG A 78 1.395 9.451 -10.383 1.00 0.00 C ATOM 1149 NE ARG A 78 1.620 9.617 -11.830 1.00 0.00 N ATOM 1150 CZ ARG A 78 1.598 10.790 -12.483 1.00 0.00 C ATOM 1151 NH1 ARG A 78 1.521 11.938 -11.813 1.00 0.00 N ATOM 1152 NH2 ARG A 78 1.642 10.818 -13.812 1.00 0.00 N ATOM 0 H ARG A 78 3.392 6.422 -7.566 1.00 0.00 H new ATOM 0 HA ARG A 78 0.473 6.300 -7.171 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.088 7.739 -8.840 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.113 8.616 -7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.837 7.986 -9.679 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.536 7.297 -10.630 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.346 9.647 -10.159 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.981 10.194 -9.842 1.00 0.00 H new ATOM 0 HE ARG A 78 1.807 8.777 -12.377 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.478 11.932 -10.794 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.505 12.824 -12.319 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.693 9.946 -14.339 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.625 11.711 -14.304 1.00 0.00 H new ATOM 1166 N ILE A 79 0.363 4.779 -9.270 1.00 0.00 N ATOM 1167 CA ILE A 79 0.297 3.497 -9.957 1.00 0.00 C ATOM 1168 C ILE A 79 -0.104 3.719 -11.419 1.00 0.00 C ATOM 1169 O ILE A 79 -1.040 4.468 -11.705 1.00 0.00 O ATOM 1170 CB ILE A 79 -0.644 2.551 -9.160 1.00 0.00 C ATOM 1171 CG1 ILE A 79 0.075 2.103 -7.863 1.00 0.00 C ATOM 1172 CG2 ILE A 79 -1.088 1.321 -9.972 1.00 0.00 C ATOM 1173 CD1 ILE A 79 -0.779 1.274 -6.895 1.00 0.00 C ATOM 0 H ILE A 79 -0.523 5.284 -9.257 1.00 0.00 H new ATOM 0 HA ILE A 79 1.269 3.004 -9.993 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.551 3.108 -8.924 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.954 1.520 -8.137 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.431 2.990 -7.339 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.743 0.699 -9.362 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.624 1.647 -10.863 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.212 0.744 -10.267 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.185 1.010 -6.020 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.645 1.857 -6.583 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.114 0.364 -7.393 1.00 0.00 H new ATOM 1333 N HIS A 89 2.329 -0.579 -13.042 1.00 0.00 N ATOM 1334 CA HIS A 89 3.603 0.045 -12.706 1.00 0.00 C ATOM 1335 C HIS A 89 3.465 0.809 -11.398 1.00 0.00 C ATOM 1336 O HIS A 89 2.356 1.189 -11.027 1.00 0.00 O ATOM 1337 CB HIS A 89 4.077 0.940 -13.862 1.00 0.00 C ATOM 1338 CG HIS A 89 5.572 1.145 -13.868 1.00 0.00 C ATOM 1339 ND1 HIS A 89 6.523 0.168 -14.066 1.00 0.00 N ATOM 1340 CD2 HIS A 89 6.241 2.332 -13.723 1.00 0.00 C ATOM 1341 CE1 HIS A 89 7.732 0.752 -14.040 1.00 0.00 C ATOM 1342 NE2 HIS A 89 7.613 2.074 -13.825 1.00 0.00 N ATOM 0 HA HIS A 89 4.367 -0.719 -12.563 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.772 0.494 -14.809 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.582 1.909 -13.792 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.788 3.299 -13.559 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.669 0.232 -14.173 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.371 2.753 -13.751 1.00 0.00 H new ATOM 1350 N VAL A 90 4.574 1.067 -10.710 1.00 0.00 N ATOM 1351 CA VAL A 90 4.591 1.775 -9.437 1.00 0.00 C ATOM 1352 C VAL A 90 5.808 2.702 -9.464 1.00 0.00 C ATOM 1353 O VAL A 90 6.891 2.288 -9.880 1.00 0.00 O ATOM 1354 CB VAL A 90 4.651 0.780 -8.254 1.00 0.00 C ATOM 1355 CG1 VAL A 90 4.159 1.481 -6.984 1.00 0.00 C ATOM 1356 CG2 VAL A 90 3.810 -0.499 -8.426 1.00 0.00 C ATOM 0 H VAL A 90 5.501 0.784 -11.028 1.00 0.00 H new ATOM 0 HA VAL A 90 3.679 2.355 -9.296 1.00 0.00 H new ATOM 0 HB VAL A 90 5.694 0.469 -8.200 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.199 0.785 -6.146 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.796 2.340 -6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.132 1.817 -7.128 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.921 -1.129 -7.543 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.761 -0.231 -8.551 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.152 -1.044 -9.306 1.00 0.00 H new ATOM 1366 N TYR A 91 5.631 3.968 -9.093 1.00 0.00 N ATOM 1367 CA TYR A 91 6.651 5.007 -9.208 1.00 0.00 C ATOM 1368 C TYR A 91 6.208 6.226 -8.394 1.00 0.00 C ATOM 1369 O TYR A 91 5.174 6.167 -7.732 1.00 0.00 O ATOM 1370 CB TYR A 91 6.841 5.367 -10.692 1.00 0.00 C ATOM 1371 CG TYR A 91 5.621 5.926 -11.406 1.00 0.00 C ATOM 1372 CD1 TYR A 91 4.589 5.076 -11.854 1.00 0.00 C ATOM 1373 CD2 TYR A 91 5.550 7.303 -11.676 1.00 0.00 C ATOM 1374 CE1 TYR A 91 3.528 5.589 -12.619 1.00 0.00 C ATOM 1375 CE2 TYR A 91 4.525 7.817 -12.482 1.00 0.00 C ATOM 1376 CZ TYR A 91 3.527 6.955 -12.985 1.00 0.00 C ATOM 1377 OH TYR A 91 2.592 7.444 -13.846 1.00 0.00 O ATOM 0 H TYR A 91 4.755 4.307 -8.695 1.00 0.00 H new ATOM 0 HA TYR A 91 7.606 4.655 -8.817 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.647 6.097 -10.767 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.169 4.473 -11.223 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.614 4.025 -11.608 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.290 7.970 -11.260 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.718 4.944 -12.926 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.499 8.871 -12.718 1.00 0.00 H new ATOM 0 HH TYR A 91 1.764 6.928 -13.757 1.00 0.00 H new ATOM 1387 N GLY A 92 6.931 7.347 -8.459 1.00 0.00 N ATOM 1388 CA GLY A 92 6.485 8.604 -7.873 1.00 0.00 C ATOM 1389 C GLY A 92 7.120 8.864 -6.511 1.00 0.00 C ATOM 1390 O GLY A 92 8.114 8.232 -6.138 1.00 0.00 O ATOM 0 H GLY A 92 7.839 7.404 -8.919 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.729 9.424 -8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.400 8.589 -7.769 1.00 0.00 H new ATOM 1394 N TYR A 93 6.560 9.835 -5.787 1.00 0.00 N ATOM 1395 CA TYR A 93 6.996 10.223 -4.453 1.00 0.00 C ATOM 1396 C TYR A 93 5.841 10.888 -3.692 1.00 0.00 C ATOM 1397 O TYR A 93 4.761 11.098 -4.248 1.00 0.00 O ATOM 1398 CB TYR A 93 8.228 11.151 -4.534 1.00 0.00 C ATOM 1399 CG TYR A 93 7.957 12.622 -4.834 1.00 0.00 C ATOM 1400 CD1 TYR A 93 7.314 13.017 -6.025 1.00 0.00 C ATOM 1401 CD2 TYR A 93 8.357 13.606 -3.907 1.00 0.00 C ATOM 1402 CE1 TYR A 93 7.062 14.376 -6.282 1.00 0.00 C ATOM 1403 CE2 TYR A 93 8.105 14.967 -4.153 1.00 0.00 C ATOM 1404 CZ TYR A 93 7.454 15.360 -5.345 1.00 0.00 C ATOM 1405 OH TYR A 93 7.204 16.675 -5.605 1.00 0.00 O ATOM 0 H TYR A 93 5.770 10.385 -6.125 1.00 0.00 H new ATOM 0 HA TYR A 93 7.292 9.330 -3.903 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.764 11.090 -3.587 1.00 0.00 H new ATOM 0 HB3 TYR A 93 8.896 10.764 -5.303 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.013 12.270 -6.745 1.00 0.00 H new ATOM 0 HD2 TYR A 93 8.862 13.311 -2.999 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.568 14.669 -7.197 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.408 15.712 -3.432 1.00 0.00 H new ATOM 0 HH TYR A 93 7.534 17.224 -4.863 1.00 0.00 H new ATOM 1415 N SER A 94 6.106 11.256 -2.440 1.00 0.00 N ATOM 1416 CA SER A 94 5.283 12.086 -1.571 1.00 0.00 C ATOM 1417 C SER A 94 6.236 13.153 -1.032 1.00 0.00 C ATOM 1418 O SER A 94 7.433 12.880 -0.886 1.00 0.00 O ATOM 1419 CB SER A 94 4.690 11.216 -0.451 1.00 0.00 C ATOM 1420 OG SER A 94 4.407 11.946 0.724 1.00 0.00 O ATOM 0 H SER A 94 6.964 10.959 -1.976 1.00 0.00 H new ATOM 0 HA SER A 94 4.438 12.547 -2.081 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.774 10.746 -0.810 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.388 10.413 -0.214 1.00 0.00 H new ATOM 0 HG SER A 94 3.436 12.018 0.839 1.00 0.00 H new ATOM 1426 N MET A 95 5.737 14.348 -0.708 1.00 0.00 N ATOM 1427 CA MET A 95 6.581 15.372 -0.105 1.00 0.00 C ATOM 1428 C MET A 95 6.576 15.234 1.416 1.00 0.00 C ATOM 1429 O MET A 95 7.612 15.480 2.038 1.00 0.00 O ATOM 1430 CB MET A 95 6.188 16.783 -0.563 1.00 0.00 C ATOM 1431 CG MET A 95 4.783 17.216 -0.133 1.00 0.00 C ATOM 1432 SD MET A 95 4.334 18.911 -0.622 1.00 0.00 S ATOM 1433 CE MET A 95 5.394 19.882 0.489 1.00 0.00 C ATOM 0 H MET A 95 4.766 14.625 -0.852 1.00 0.00 H new ATOM 0 HA MET A 95 7.603 15.218 -0.451 1.00 0.00 H new ATOM 0 HB2 MET A 95 6.912 17.496 -0.168 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.254 16.831 -1.650 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.057 16.524 -0.559 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.706 17.131 0.951 1.00 0.00 H new ATOM 0 HE1 MET A 95 5.132 20.937 0.411 1.00 0.00 H new ATOM 0 HE2 MET A 95 5.249 19.547 1.516 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.438 19.746 0.207 1.00 0.00 H new ATOM 1443 N ALA A 96 5.458 14.820 2.029 1.00 0.00 N ATOM 1444 CA ALA A 96 5.411 14.648 3.477 1.00 0.00 C ATOM 1445 C ALA A 96 6.121 13.365 3.926 1.00 0.00 C ATOM 1446 O ALA A 96 6.610 13.323 5.058 1.00 0.00 O ATOM 1447 CB ALA A 96 3.961 14.654 3.964 1.00 0.00 C ATOM 0 H ALA A 96 4.586 14.602 1.546 1.00 0.00 H new ATOM 0 HA ALA A 96 5.943 15.488 3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.940 14.525 5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.493 15.603 3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.415 13.838 3.491 1.00 0.00 H new ATOM 1453 N TYR A 97 6.213 12.345 3.061 1.00 0.00 N ATOM 1454 CA TYR A 97 6.666 11.008 3.451 1.00 0.00 C ATOM 1455 C TYR A 97 7.751 10.430 2.532 1.00 0.00 C ATOM 1456 O TYR A 97 8.298 9.369 2.840 1.00 0.00 O ATOM 1457 CB TYR A 97 5.446 10.077 3.528 1.00 0.00 C ATOM 1458 CG TYR A 97 4.292 10.632 4.351 1.00 0.00 C ATOM 1459 CD1 TYR A 97 4.394 10.702 5.753 1.00 0.00 C ATOM 1460 CD2 TYR A 97 3.136 11.122 3.713 1.00 0.00 C ATOM 1461 CE1 TYR A 97 3.336 11.224 6.519 1.00 0.00 C ATOM 1462 CE2 TYR A 97 2.071 11.634 4.470 1.00 0.00 C ATOM 1463 CZ TYR A 97 2.166 11.694 5.880 1.00 0.00 C ATOM 1464 OH TYR A 97 1.159 12.225 6.631 1.00 0.00 O ATOM 0 H TYR A 97 5.975 12.427 2.073 1.00 0.00 H new ATOM 0 HA TYR A 97 7.141 11.091 4.428 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.093 9.874 2.517 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.757 9.123 3.954 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.290 10.353 6.244 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.069 11.104 2.635 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.418 11.266 7.595 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.177 11.983 3.975 1.00 0.00 H new ATOM 0 HH TYR A 97 0.425 12.503 6.044 1.00 0.00 H new ATOM 1474 N GLY A 98 8.109 11.119 1.444 1.00 0.00 N ATOM 1475 CA GLY A 98 9.157 10.687 0.525 1.00 0.00 C ATOM 1476 C GLY A 98 8.688 9.564 -0.408 1.00 0.00 C ATOM 1477 O GLY A 98 7.554 9.085 -0.295 1.00 0.00 O ATOM 0 H GLY A 98 7.672 12.001 1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.487 11.538 -0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.020 10.345 1.097 1.00 0.00 H new ATOM 1481 N PRO A 99 9.534 9.141 -1.362 1.00 0.00 N ATOM 1482 CA PRO A 99 9.245 7.993 -2.208 1.00 0.00 C ATOM 1483 C PRO A 99 9.235 6.714 -1.370 1.00 0.00 C ATOM 1484 O PRO A 99 10.085 6.518 -0.495 1.00 0.00 O ATOM 1485 CB PRO A 99 10.334 7.985 -3.283 1.00 0.00 C ATOM 1486 CG PRO A 99 11.516 8.674 -2.603 1.00 0.00 C ATOM 1487 CD PRO A 99 10.856 9.677 -1.655 1.00 0.00 C ATOM 0 HA PRO A 99 8.261 8.050 -2.673 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.585 6.970 -3.592 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.018 8.521 -4.178 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.138 7.961 -2.062 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.160 9.172 -3.328 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.441 9.795 -0.743 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.784 10.662 -2.117 1.00 0.00 H new ATOM 1495 N ALA A 100 8.267 5.840 -1.646 1.00 0.00 N ATOM 1496 CA ALA A 100 8.221 4.501 -1.077 1.00 0.00 C ATOM 1497 C ALA A 100 9.392 3.646 -1.588 1.00 0.00 C ATOM 1498 O ALA A 100 10.067 4.003 -2.556 1.00 0.00 O ATOM 1499 CB ALA A 100 6.885 3.865 -1.461 1.00 0.00 C ATOM 0 H ALA A 100 7.490 6.046 -2.274 1.00 0.00 H new ATOM 0 HA ALA A 100 8.311 4.559 0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.828 2.859 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.068 4.468 -1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.805 3.813 -2.547 1.00 0.00 H new ATOM 1505 N GLN A 101 9.591 2.471 -0.974 1.00 0.00 N ATOM 1506 CA GLN A 101 10.533 1.470 -1.480 1.00 0.00 C ATOM 1507 C GLN A 101 10.112 0.952 -2.864 1.00 0.00 C ATOM 1508 O GLN A 101 10.979 0.563 -3.643 1.00 0.00 O ATOM 1509 CB GLN A 101 10.648 0.276 -0.512 1.00 0.00 C ATOM 1510 CG GLN A 101 11.177 0.615 0.888 1.00 0.00 C ATOM 1511 CD GLN A 101 12.557 1.276 0.864 1.00 0.00 C ATOM 1512 OE1 GLN A 101 12.687 2.489 1.007 1.00 0.00 O ATOM 1513 NE2 GLN A 101 13.616 0.506 0.669 1.00 0.00 N ATOM 0 H GLN A 101 9.107 2.192 -0.121 1.00 0.00 H new ATOM 0 HA GLN A 101 11.502 1.963 -1.564 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.665 -0.183 -0.409 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.304 -0.471 -0.959 1.00 0.00 H new ATOM 0 HG2 GLN A 101 10.471 1.280 1.386 1.00 0.00 H new ATOM 0 HG3 GLN A 101 11.228 -0.298 1.482 1.00 0.00 H new ATOM 0 HE21 GLN A 101 13.500 -0.500 0.551 1.00 0.00 H new ATOM 0 HE22 GLN A 101 14.548 0.919 0.637 1.00 0.00 H new ATOM 1522 N HIS A 102 8.800 0.926 -3.148 1.00 0.00 N ATOM 1523 CA HIS A 102 8.123 0.398 -4.337 1.00 0.00 C ATOM 1524 C HIS A 102 8.322 -1.107 -4.600 1.00 0.00 C ATOM 1525 O HIS A 102 7.393 -1.755 -5.078 1.00 0.00 O ATOM 1526 CB HIS A 102 8.456 1.261 -5.564 1.00 0.00 C ATOM 1527 CG HIS A 102 8.018 2.702 -5.436 1.00 0.00 C ATOM 1528 ND1 HIS A 102 8.809 3.830 -5.464 1.00 0.00 N ATOM 1529 CD2 HIS A 102 6.739 3.129 -5.214 1.00 0.00 C ATOM 1530 CE1 HIS A 102 8.020 4.897 -5.255 1.00 0.00 C ATOM 1531 NE2 HIS A 102 6.740 4.523 -5.115 1.00 0.00 N ATOM 0 H HIS A 102 8.126 1.311 -2.487 1.00 0.00 H new ATOM 0 HA HIS A 102 7.056 0.471 -4.128 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.532 1.232 -5.735 1.00 0.00 H new ATOM 0 HB3 HIS A 102 7.982 0.824 -6.443 1.00 0.00 H new ATOM 0 HD1 HIS A 102 9.817 3.851 -5.617 1.00 0.00 H new ATOM 0 HD2 HIS A 102 5.870 2.493 -5.129 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.369 5.918 -5.206 1.00 0.00 H new ATOM 1539 N ALA A 103 9.470 -1.683 -4.235 1.00 0.00 N ATOM 1540 CA ALA A 103 9.790 -3.096 -4.397 1.00 0.00 C ATOM 1541 C ALA A 103 8.812 -4.005 -3.642 1.00 0.00 C ATOM 1542 O ALA A 103 8.398 -5.045 -4.158 1.00 0.00 O ATOM 1543 CB ALA A 103 11.220 -3.324 -3.891 1.00 0.00 C ATOM 0 H ALA A 103 10.228 -1.155 -3.803 1.00 0.00 H new ATOM 0 HA ALA A 103 9.705 -3.354 -5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.482 -4.376 -4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 103 11.913 -2.714 -4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.283 -3.044 -2.839 1.00 0.00 H new ATOM 1549 N ILE A 104 8.442 -3.629 -2.410 1.00 0.00 N ATOM 1550 CA ILE A 104 7.478 -4.399 -1.633 1.00 0.00 C ATOM 1551 C ILE A 104 6.148 -4.391 -2.393 1.00 0.00 C ATOM 1552 O ILE A 104 5.559 -5.444 -2.633 1.00 0.00 O ATOM 1553 CB ILE A 104 7.335 -3.825 -0.204 1.00 0.00 C ATOM 1554 CG1 ILE A 104 8.710 -3.450 0.398 1.00 0.00 C ATOM 1555 CG2 ILE A 104 6.546 -4.818 0.660 1.00 0.00 C ATOM 1556 CD1 ILE A 104 8.729 -3.143 1.893 1.00 0.00 C ATOM 0 H ILE A 104 8.798 -2.798 -1.937 1.00 0.00 H new ATOM 0 HA ILE A 104 7.819 -5.427 -1.514 1.00 0.00 H new ATOM 0 HB ILE A 104 6.773 -2.892 -0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 104 9.403 -4.270 0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.092 -2.580 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.442 -4.419 1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.558 -4.972 0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.077 -5.769 0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 104 9.745 -2.894 2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.070 -2.300 2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.386 -4.016 2.448 1.00 0.00 H new ATOM 1568 N SER A 105 5.709 -3.204 -2.812 1.00 0.00 N ATOM 1569 CA SER A 105 4.462 -2.992 -3.519 1.00 0.00 C ATOM 1570 C SER A 105 4.353 -3.861 -4.766 1.00 0.00 C ATOM 1571 O SER A 105 3.306 -4.475 -4.956 1.00 0.00 O ATOM 1572 CB SER A 105 4.310 -1.514 -3.879 1.00 0.00 C ATOM 1573 OG SER A 105 4.822 -0.694 -2.843 1.00 0.00 O ATOM 0 H SER A 105 6.233 -2.342 -2.660 1.00 0.00 H new ATOM 0 HA SER A 105 3.651 -3.286 -2.853 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.837 -1.305 -4.810 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.259 -1.281 -4.048 1.00 0.00 H new ATOM 0 HG SER A 105 4.108 -0.491 -2.203 1.00 0.00 H new ATOM 1579 N THR A 106 5.396 -3.964 -5.596 1.00 0.00 N ATOM 1580 CA THR A 106 5.321 -4.815 -6.772 1.00 0.00 C ATOM 1581 C THR A 106 5.090 -6.262 -6.363 1.00 0.00 C ATOM 1582 O THR A 106 4.150 -6.875 -6.867 1.00 0.00 O ATOM 1583 CB THR A 106 6.560 -4.671 -7.668 1.00 0.00 C ATOM 1584 OG1 THR A 106 7.747 -4.415 -6.948 1.00 0.00 O ATOM 1585 CG2 THR A 106 6.371 -3.519 -8.638 1.00 0.00 C ATOM 0 H THR A 106 6.283 -3.476 -5.473 1.00 0.00 H new ATOM 0 HA THR A 106 4.469 -4.487 -7.368 1.00 0.00 H new ATOM 0 HB THR A 106 6.662 -5.627 -8.181 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.709 -4.871 -6.081 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.255 -3.426 -9.269 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.498 -3.709 -9.263 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.224 -2.594 -8.080 1.00 0.00 H new ATOM 1593 N GLU A 107 5.875 -6.803 -5.429 1.00 0.00 N ATOM 1594 CA GLU A 107 5.730 -8.200 -5.042 1.00 0.00 C ATOM 1595 C GLU A 107 4.335 -8.465 -4.463 1.00 0.00 C ATOM 1596 O GLU A 107 3.703 -9.466 -4.813 1.00 0.00 O ATOM 1597 CB GLU A 107 6.845 -8.611 -4.068 1.00 0.00 C ATOM 1598 CG GLU A 107 8.250 -8.553 -4.693 1.00 0.00 C ATOM 1599 CD GLU A 107 8.400 -9.467 -5.921 1.00 0.00 C ATOM 1600 OE1 GLU A 107 8.618 -10.689 -5.751 1.00 0.00 O ATOM 1601 OE2 GLU A 107 8.315 -8.966 -7.066 1.00 0.00 O ATOM 0 H GLU A 107 6.609 -6.298 -4.933 1.00 0.00 H new ATOM 0 HA GLU A 107 5.831 -8.820 -5.933 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.815 -7.958 -3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.654 -9.624 -3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.471 -7.526 -4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.987 -8.838 -3.943 1.00 0.00 H new ATOM 1608 N LYS A 108 3.809 -7.556 -3.634 1.00 0.00 N ATOM 1609 CA LYS A 108 2.476 -7.724 -3.062 1.00 0.00 C ATOM 1610 C LYS A 108 1.388 -7.609 -4.127 1.00 0.00 C ATOM 1611 O LYS A 108 0.472 -8.427 -4.125 1.00 0.00 O ATOM 1612 CB LYS A 108 2.226 -6.715 -1.932 1.00 0.00 C ATOM 1613 CG LYS A 108 3.119 -6.846 -0.687 1.00 0.00 C ATOM 1614 CD LYS A 108 3.229 -8.282 -0.148 1.00 0.00 C ATOM 1615 CE LYS A 108 3.638 -8.338 1.331 1.00 0.00 C ATOM 1616 NZ LYS A 108 2.566 -7.852 2.233 1.00 0.00 N ATOM 0 H LYS A 108 4.287 -6.701 -3.348 1.00 0.00 H new ATOM 0 HA LYS A 108 2.432 -8.729 -2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.350 -5.711 -2.337 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.186 -6.805 -1.617 1.00 0.00 H new ATOM 0 HG2 LYS A 108 4.117 -6.481 -0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 108 2.726 -6.202 0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.271 -8.786 -0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.959 -8.832 -0.742 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.894 -9.364 1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.535 -7.737 1.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 2.889 -6.995 2.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.717 -7.631 1.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.340 -8.589 2.931 1.00 0.00 H new ATOM 1630 N ILE A 109 1.453 -6.640 -5.046 1.00 0.00 N ATOM 1631 CA ILE A 109 0.419 -6.480 -6.070 1.00 0.00 C ATOM 1632 C ILE A 109 0.468 -7.688 -7.026 1.00 0.00 C ATOM 1633 O ILE A 109 -0.591 -8.200 -7.395 1.00 0.00 O ATOM 1634 CB ILE A 109 0.530 -5.101 -6.774 1.00 0.00 C ATOM 1635 CG1 ILE A 109 0.300 -3.931 -5.782 1.00 0.00 C ATOM 1636 CG2 ILE A 109 -0.518 -4.960 -7.901 1.00 0.00 C ATOM 1637 CD1 ILE A 109 0.766 -2.570 -6.323 1.00 0.00 C ATOM 0 H ILE A 109 2.209 -5.957 -5.101 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.570 -6.474 -5.613 1.00 0.00 H new ATOM 0 HB ILE A 109 1.539 -5.053 -7.183 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.761 -3.873 -5.540 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.828 -4.144 -4.852 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.414 -3.984 -8.374 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.361 -5.742 -8.644 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.519 -5.055 -7.481 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.575 -1.798 -5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.834 -2.610 -6.538 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.220 -2.335 -7.237 1.00 0.00 H new ATOM 1649 N LYS A 110 1.656 -8.212 -7.375 1.00 0.00 N ATOM 1650 CA LYS A 110 1.758 -9.444 -8.168 1.00 0.00 C ATOM 1651 C LYS A 110 1.048 -10.584 -7.434 1.00 0.00 C ATOM 1652 O LYS A 110 0.277 -11.311 -8.055 1.00 0.00 O ATOM 1653 CB LYS A 110 3.222 -9.843 -8.437 1.00 0.00 C ATOM 1654 CG LYS A 110 4.039 -8.915 -9.354 1.00 0.00 C ATOM 1655 CD LYS A 110 5.520 -9.312 -9.258 1.00 0.00 C ATOM 1656 CE LYS A 110 6.440 -8.350 -10.016 1.00 0.00 C ATOM 1657 NZ LYS A 110 7.869 -8.673 -9.786 1.00 0.00 N ATOM 0 H LYS A 110 2.554 -7.801 -7.120 1.00 0.00 H new ATOM 0 HA LYS A 110 1.283 -9.256 -9.131 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.737 -9.912 -7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.227 -10.842 -8.874 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.691 -8.998 -10.384 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.906 -7.875 -9.056 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.817 -9.342 -8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.648 -10.319 -9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.221 -8.400 -11.083 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.241 -7.327 -9.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.465 -8.003 -10.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.082 -8.601 -8.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.063 -9.641 -10.113 1.00 0.00 H new ATOM 1786 N VAL A 118 3.477 -6.598 -12.594 1.00 0.00 N ATOM 1787 CA VAL A 118 3.705 -5.300 -11.984 1.00 0.00 C ATOM 1788 C VAL A 118 5.212 -5.048 -12.033 1.00 0.00 C ATOM 1789 O VAL A 118 5.984 -5.973 -11.769 1.00 0.00 O ATOM 1790 CB VAL A 118 3.211 -5.300 -10.516 1.00 0.00 C ATOM 1791 CG1 VAL A 118 2.976 -3.876 -9.992 1.00 0.00 C ATOM 1792 CG2 VAL A 118 1.926 -6.107 -10.266 1.00 0.00 C ATOM 0 HA VAL A 118 3.159 -4.520 -12.515 1.00 0.00 H new ATOM 0 HB VAL A 118 4.023 -5.788 -9.978 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.630 -3.921 -8.959 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.908 -3.313 -10.039 1.00 0.00 H new ATOM 0 HG13 VAL A 118 2.223 -3.382 -10.606 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.659 -6.048 -9.211 1.00 0.00 H new ATOM 0 HG22 VAL A 118 1.116 -5.697 -10.869 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.091 -7.149 -10.541 1.00 0.00 H new ATOM 1802 N THR A 119 5.636 -3.819 -12.303 1.00 0.00 N ATOM 1803 CA THR A 119 7.036 -3.406 -12.255 1.00 0.00 C ATOM 1804 C THR A 119 7.141 -2.061 -11.529 1.00 0.00 C ATOM 1805 O THR A 119 6.124 -1.432 -11.227 1.00 0.00 O ATOM 1806 CB THR A 119 7.615 -3.367 -13.684 1.00 0.00 C ATOM 1807 OG1 THR A 119 6.736 -2.695 -14.573 1.00 0.00 O ATOM 1808 CG2 THR A 119 7.869 -4.784 -14.206 1.00 0.00 C ATOM 0 H THR A 119 5.003 -3.064 -12.567 1.00 0.00 H new ATOM 0 HA THR A 119 7.632 -4.125 -11.693 1.00 0.00 H new ATOM 0 HB THR A 119 8.559 -2.824 -13.638 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.721 -1.739 -14.358 1.00 0.00 H new ATOM 0 HG21 THR A 119 8.277 -4.732 -15.215 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.580 -5.290 -13.553 1.00 0.00 H new ATOM 0 HG23 THR A 119 6.931 -5.339 -14.222 1.00 0.00 H new ATOM 1816 N TRP A 120 8.359 -1.608 -11.226 1.00 0.00 N ATOM 1817 CA TRP A 120 8.579 -0.278 -10.676 1.00 0.00 C ATOM 1818 C TRP A 120 9.870 0.299 -11.245 1.00 0.00 C ATOM 1819 O TRP A 120 10.791 -0.446 -11.593 1.00 0.00 O ATOM 1820 CB TRP A 120 8.604 -0.299 -9.137 1.00 0.00 C ATOM 1821 CG TRP A 120 9.827 -0.859 -8.476 1.00 0.00 C ATOM 1822 CD1 TRP A 120 10.067 -2.167 -8.240 1.00 0.00 C ATOM 1823 CD2 TRP A 120 10.983 -0.139 -7.935 1.00 0.00 C ATOM 1824 NE1 TRP A 120 11.284 -2.316 -7.615 1.00 0.00 N ATOM 1825 CE2 TRP A 120 11.886 -1.100 -7.382 1.00 0.00 C ATOM 1826 CE3 TRP A 120 11.358 1.224 -7.840 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 13.092 -0.735 -6.767 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 12.563 1.594 -7.207 1.00 0.00 C ATOM 1829 CH2 TRP A 120 13.428 0.623 -6.675 1.00 0.00 C ATOM 0 H TRP A 120 9.212 -2.152 -11.355 1.00 0.00 H new ATOM 0 HA TRP A 120 7.747 0.363 -10.967 1.00 0.00 H new ATOM 0 HB2 TRP A 120 8.468 0.723 -8.784 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.743 -0.872 -8.794 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.402 -2.976 -8.503 1.00 0.00 H new ATOM 0 HE1 TRP A 120 11.690 -3.216 -7.357 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.716 1.986 -8.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 13.754 -1.490 -6.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 12.825 2.639 -7.130 1.00 0.00 H new ATOM 0 HH2 TRP A 120 14.349 0.922 -6.197 1.00 0.00 H new