USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 706 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 86 ASN : amide:sc= -0.139 K(o=-2,f=-4.5!) USER MOD Set 1.2: A 100 HIS : no HE2:sc= -1.9! C(o=-2!,f=-5.7!) USER MOD Set 2.1: A 80 THR OG1 : rot 88:sc= 0.855 USER MOD Set 2.2: A 87 THR OG1 : rot 64:sc= 0.283 USER MOD Set 3.1: A 73 LYS NZ :NH3+ -169:sc= 1.17 (180deg=0) USER MOD Set 3.2: A 75 TYR OH : rot 180:sc= 1.05 USER MOD Set 4.1: A 70 HIS : no HD1:sc= -0.343 X(o=-3.3,f=-3.5) USER MOD Set 4.2: A 71 GLN : amide:sc= -2.95 K(o=-3.3,f=-6!) USER MOD Set 5.1: A 28 THR OG1 : rot 180:sc=0.000137 USER MOD Set 5.2: A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 30 THR OG1 : rot 180:sc= -0.331 USER MOD Set 6.2: A 33 ASN : amide:sc= -0.502 K(o=-0.83,f=-5.8!) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00222) USER MOD Single : A 19 ASN : amide:sc= -6.27! C(o=-6.3!,f=-5.4!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.053 K(o=-0.053,f=-0.55) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.0424 X(o=-0.042,f=0) USER MOD Single : A 58 ASN : amide:sc= -2.69! K(o=-2.7!,f=-0.48) USER MOD Single : A 82 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.54) USER MOD Single : A 94 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0201) USER MOD Single : A 96 ASN : amide:sc= -1.64 K(o=-1.6,f=-0.024) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 55 N CYS A 6 56.999 2.657 -15.023 1.00 0.00 N ATOM 56 CA CYS A 6 57.084 4.111 -14.860 1.00 0.00 C ATOM 57 C CYS A 6 55.679 4.713 -14.804 1.00 0.00 C ATOM 58 O CYS A 6 55.356 5.630 -15.559 1.00 0.00 O ATOM 59 CB CYS A 6 57.857 4.716 -16.041 1.00 0.00 C ATOM 60 SG CYS A 6 59.635 4.475 -15.802 1.00 0.00 S ATOM 0 HA CYS A 6 57.606 4.337 -13.930 1.00 0.00 H new ATOM 0 HB2 CYS A 6 57.540 4.248 -16.973 1.00 0.00 H new ATOM 0 HB3 CYS A 6 57.634 5.779 -16.127 1.00 0.00 H new ATOM 65 N ARG A 7 54.840 4.170 -13.926 1.00 0.00 N ATOM 66 CA ARG A 7 53.461 4.637 -13.808 1.00 0.00 C ATOM 67 C ARG A 7 53.412 6.143 -13.510 1.00 0.00 C ATOM 68 O ARG A 7 52.684 6.885 -14.171 1.00 0.00 O ATOM 69 CB ARG A 7 52.721 3.826 -12.705 1.00 0.00 C ATOM 70 CG ARG A 7 51.601 2.972 -13.326 1.00 0.00 C ATOM 71 CD ARG A 7 50.938 2.065 -12.262 1.00 0.00 C ATOM 72 NE ARG A 7 51.282 0.670 -12.513 1.00 0.00 N ATOM 73 CZ ARG A 7 50.721 -0.313 -11.814 1.00 0.00 C ATOM 74 NH1 ARG A 7 49.846 -0.037 -10.887 1.00 0.00 N ATOM 75 NH2 ARG A 7 51.043 -1.555 -12.058 1.00 0.00 N1+ ATOM 0 H ARG A 7 55.088 3.412 -13.290 1.00 0.00 H new ATOM 0 HA ARG A 7 52.955 4.475 -14.760 1.00 0.00 H new ATOM 0 HB2 ARG A 7 53.429 3.184 -12.181 1.00 0.00 H new ATOM 0 HB3 ARG A 7 52.300 4.507 -11.965 1.00 0.00 H new ATOM 0 HG2 ARG A 7 50.849 3.622 -13.774 1.00 0.00 H new ATOM 0 HG3 ARG A 7 52.010 2.358 -14.128 1.00 0.00 H new ATOM 0 HD2 ARG A 7 51.270 2.357 -11.266 1.00 0.00 H new ATOM 0 HD3 ARG A 7 49.856 2.192 -12.287 1.00 0.00 H new ATOM 0 HE ARG A 7 51.964 0.444 -13.237 1.00 0.00 H new ATOM 0 HH11 ARG A 7 49.592 0.933 -10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 7 49.416 -0.791 -10.351 1.00 0.00 H new ATOM 0 HH21 ARG A 7 51.725 -1.772 -12.785 1.00 0.00 H new ATOM 0 HH22 ARG A 7 50.613 -2.308 -11.522 1.00 0.00 H new ATOM 89 N PRO A 8 54.157 6.605 -12.541 1.00 0.00 N ATOM 90 CA PRO A 8 54.181 8.043 -12.167 1.00 0.00 C ATOM 91 C PRO A 8 55.216 8.822 -12.987 1.00 0.00 C ATOM 92 O PRO A 8 56.415 8.581 -12.843 1.00 0.00 O ATOM 93 CB PRO A 8 54.582 7.995 -10.693 1.00 0.00 C ATOM 94 CG PRO A 8 55.490 6.805 -10.584 1.00 0.00 C ATOM 95 CD PRO A 8 55.064 5.817 -11.690 1.00 0.00 C ATOM 0 HA PRO A 8 53.233 8.548 -12.350 1.00 0.00 H new ATOM 0 HB2 PRO A 8 55.091 8.910 -10.391 1.00 0.00 H new ATOM 0 HB3 PRO A 8 53.710 7.888 -10.048 1.00 0.00 H new ATOM 0 HG2 PRO A 8 56.532 7.101 -10.710 1.00 0.00 H new ATOM 0 HG3 PRO A 8 55.406 6.344 -9.600 1.00 0.00 H new ATOM 0 HD2 PRO A 8 55.924 5.453 -12.253 1.00 0.00 H new ATOM 0 HD3 PRO A 8 54.562 4.944 -11.273 1.00 0.00 H new ATOM 103 N PRO A 9 54.808 9.737 -13.835 1.00 0.00 N ATOM 104 CA PRO A 9 55.774 10.516 -14.652 1.00 0.00 C ATOM 105 C PRO A 9 56.396 11.650 -13.849 1.00 0.00 C ATOM 106 O PRO A 9 55.689 12.421 -13.201 1.00 0.00 O ATOM 107 CB PRO A 9 54.911 11.059 -15.794 1.00 0.00 C ATOM 108 CG PRO A 9 53.560 11.245 -15.180 1.00 0.00 C ATOM 109 CD PRO A 9 53.415 10.144 -14.118 1.00 0.00 C ATOM 0 HA PRO A 9 56.615 9.915 -14.998 1.00 0.00 H new ATOM 0 HB2 PRO A 9 55.306 11.999 -16.179 1.00 0.00 H new ATOM 0 HB3 PRO A 9 54.875 10.362 -16.631 1.00 0.00 H new ATOM 0 HG2 PRO A 9 53.470 12.234 -14.730 1.00 0.00 H new ATOM 0 HG3 PRO A 9 52.776 11.165 -15.933 1.00 0.00 H new ATOM 0 HD2 PRO A 9 52.918 10.516 -13.222 1.00 0.00 H new ATOM 0 HD3 PRO A 9 52.822 9.308 -14.488 1.00 0.00 H new ATOM 117 N MET A 10 57.717 11.792 -13.940 1.00 0.00 N ATOM 118 CA MET A 10 58.406 12.883 -13.262 1.00 0.00 C ATOM 119 C MET A 10 58.469 14.056 -14.224 1.00 0.00 C ATOM 120 O MET A 10 57.832 15.081 -13.992 1.00 0.00 O ATOM 121 CB MET A 10 59.813 12.371 -12.794 1.00 0.00 C ATOM 122 CG MET A 10 60.988 13.326 -13.136 1.00 0.00 C ATOM 123 SD MET A 10 61.686 12.864 -14.749 1.00 0.00 S ATOM 124 CE MET A 10 63.137 11.938 -14.164 1.00 0.00 C ATOM 0 H MET A 10 58.325 11.170 -14.472 1.00 0.00 H new ATOM 0 HA MET A 10 57.885 13.221 -12.366 1.00 0.00 H new ATOM 0 HB2 MET A 10 59.789 12.215 -11.715 1.00 0.00 H new ATOM 0 HB3 MET A 10 60.004 11.401 -13.252 1.00 0.00 H new ATOM 0 HG2 MET A 10 60.638 14.358 -13.160 1.00 0.00 H new ATOM 0 HG3 MET A 10 61.756 13.268 -12.364 1.00 0.00 H new ATOM 0 HE1 MET A 10 63.702 11.568 -15.020 1.00 0.00 H new ATOM 0 HE2 MET A 10 63.771 12.594 -13.567 1.00 0.00 H new ATOM 0 HE3 MET A 10 62.810 11.096 -13.554 1.00 0.00 H new ATOM 134 N VAL A 11 59.143 13.857 -15.350 1.00 0.00 N ATOM 135 CA VAL A 11 59.215 14.877 -16.387 1.00 0.00 C ATOM 136 C VAL A 11 59.399 14.196 -17.751 1.00 0.00 C ATOM 137 O VAL A 11 60.066 13.166 -17.854 1.00 0.00 O ATOM 138 CB VAL A 11 60.384 15.856 -16.056 1.00 0.00 C ATOM 139 CG1 VAL A 11 61.156 16.275 -17.316 1.00 0.00 C ATOM 140 CG2 VAL A 11 59.843 17.119 -15.368 1.00 0.00 C ATOM 0 H VAL A 11 59.648 12.998 -15.568 1.00 0.00 H new ATOM 0 HA VAL A 11 58.293 15.458 -16.427 1.00 0.00 H new ATOM 0 HB VAL A 11 61.065 15.325 -15.391 1.00 0.00 H new ATOM 0 HG11 VAL A 11 61.961 16.956 -17.040 1.00 0.00 H new ATOM 0 HG12 VAL A 11 61.577 15.391 -17.795 1.00 0.00 H new ATOM 0 HG13 VAL A 11 60.479 16.775 -18.008 1.00 0.00 H new ATOM 0 HG21 VAL A 11 60.669 17.793 -15.143 1.00 0.00 H new ATOM 0 HG22 VAL A 11 59.136 17.620 -16.030 1.00 0.00 H new ATOM 0 HG23 VAL A 11 59.339 16.841 -14.442 1.00 0.00 H new ATOM 150 N LYS A 12 58.815 14.781 -18.791 1.00 0.00 N ATOM 151 CA LYS A 12 58.944 14.235 -20.142 1.00 0.00 C ATOM 152 C LYS A 12 60.224 14.746 -20.805 1.00 0.00 C ATOM 153 O LYS A 12 60.439 15.955 -20.899 1.00 0.00 O ATOM 154 CB LYS A 12 57.723 14.632 -20.988 1.00 0.00 C ATOM 155 CG LYS A 12 57.965 14.268 -22.463 1.00 0.00 C ATOM 156 CD LYS A 12 56.629 14.265 -23.258 1.00 0.00 C ATOM 157 CE LYS A 12 56.187 12.826 -23.543 1.00 0.00 C ATOM 158 NZ LYS A 12 57.007 12.274 -24.659 1.00 0.00 N1+ ATOM 0 H LYS A 12 58.250 15.628 -18.728 1.00 0.00 H new ATOM 0 HA LYS A 12 58.995 13.148 -20.074 1.00 0.00 H new ATOM 0 HB2 LYS A 12 56.833 14.121 -20.620 1.00 0.00 H new ATOM 0 HB3 LYS A 12 57.538 15.702 -20.894 1.00 0.00 H new ATOM 0 HG2 LYS A 12 58.657 14.982 -22.909 1.00 0.00 H new ATOM 0 HG3 LYS A 12 58.434 13.286 -22.528 1.00 0.00 H new ATOM 0 HD2 LYS A 12 55.858 14.784 -22.689 1.00 0.00 H new ATOM 0 HD3 LYS A 12 56.754 14.807 -24.195 1.00 0.00 H new ATOM 0 HE2 LYS A 12 56.306 12.212 -22.650 1.00 0.00 H new ATOM 0 HE3 LYS A 12 55.130 12.803 -23.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 56.677 11.315 -24.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 56.911 12.885 -25.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 58.005 12.236 -24.370 1.00 0.00 H new ATOM 172 N LEU A 13 61.051 13.820 -21.310 1.00 0.00 N ATOM 173 CA LEU A 13 62.289 14.190 -22.017 1.00 0.00 C ATOM 174 C LEU A 13 62.163 13.751 -23.468 1.00 0.00 C ATOM 175 O LEU A 13 61.943 12.574 -23.756 1.00 0.00 O ATOM 176 CB LEU A 13 63.504 13.526 -21.340 1.00 0.00 C ATOM 177 CG LEU A 13 64.837 13.821 -22.084 1.00 0.00 C ATOM 178 CD1 LEU A 13 65.005 12.920 -23.325 1.00 0.00 C ATOM 179 CD2 LEU A 13 64.919 15.295 -22.512 1.00 0.00 C ATOM 0 H LEU A 13 60.888 12.815 -21.244 1.00 0.00 H new ATOM 0 HA LEU A 13 62.439 15.269 -21.979 1.00 0.00 H new ATOM 0 HB2 LEU A 13 63.580 13.879 -20.312 1.00 0.00 H new ATOM 0 HB3 LEU A 13 63.347 12.448 -21.296 1.00 0.00 H new ATOM 0 HG LEU A 13 65.643 13.606 -21.383 1.00 0.00 H new ATOM 0 HD11 LEU A 13 65.948 13.154 -23.820 1.00 0.00 H new ATOM 0 HD12 LEU A 13 65.006 11.874 -23.018 1.00 0.00 H new ATOM 0 HD13 LEU A 13 64.180 13.094 -24.015 1.00 0.00 H new ATOM 0 HD21 LEU A 13 65.862 15.472 -23.030 1.00 0.00 H new ATOM 0 HD22 LEU A 13 64.089 15.527 -23.180 1.00 0.00 H new ATOM 0 HD23 LEU A 13 64.864 15.933 -21.630 1.00 0.00 H new ATOM 191 N VAL A 14 62.224 14.724 -24.373 1.00 0.00 N ATOM 192 CA VAL A 14 62.035 14.465 -25.799 1.00 0.00 C ATOM 193 C VAL A 14 63.359 14.198 -26.520 1.00 0.00 C ATOM 194 O VAL A 14 64.356 14.884 -26.300 1.00 0.00 O ATOM 195 CB VAL A 14 61.337 15.673 -26.437 1.00 0.00 C ATOM 196 CG1 VAL A 14 59.933 15.853 -25.822 1.00 0.00 C ATOM 197 CG2 VAL A 14 62.178 16.932 -26.191 1.00 0.00 C ATOM 0 H VAL A 14 62.403 15.702 -24.144 1.00 0.00 H new ATOM 0 HA VAL A 14 61.423 13.568 -25.900 1.00 0.00 H new ATOM 0 HB VAL A 14 61.234 15.508 -27.510 1.00 0.00 H new ATOM 0 HG11 VAL A 14 59.443 16.712 -26.279 1.00 0.00 H new ATOM 0 HG12 VAL A 14 59.339 14.957 -26.003 1.00 0.00 H new ATOM 0 HG13 VAL A 14 60.024 16.016 -24.748 1.00 0.00 H new ATOM 0 HG21 VAL A 14 61.685 17.793 -26.643 1.00 0.00 H new ATOM 0 HG22 VAL A 14 62.283 17.096 -25.118 1.00 0.00 H new ATOM 0 HG23 VAL A 14 63.164 16.803 -26.637 1.00 0.00 H new ATOM 207 N CYS A 15 63.340 13.196 -27.394 1.00 0.00 N ATOM 208 CA CYS A 15 64.526 12.841 -28.170 1.00 0.00 C ATOM 209 C CYS A 15 64.826 13.948 -29.206 1.00 0.00 C ATOM 210 O CYS A 15 63.915 14.389 -29.906 1.00 0.00 O ATOM 211 CB CYS A 15 64.282 11.494 -28.882 1.00 0.00 C ATOM 212 SG CYS A 15 65.801 10.505 -28.874 1.00 0.00 S ATOM 0 H CYS A 15 62.521 12.618 -27.583 1.00 0.00 H new ATOM 0 HA CYS A 15 65.385 12.746 -27.505 1.00 0.00 H new ATOM 0 HB2 CYS A 15 63.481 10.949 -28.383 1.00 0.00 H new ATOM 0 HB3 CYS A 15 63.957 11.669 -29.908 1.00 0.00 H new ATOM 217 N PRO A 16 66.059 14.410 -29.331 1.00 0.00 N ATOM 218 CA PRO A 16 66.403 15.478 -30.317 1.00 0.00 C ATOM 219 C PRO A 16 66.520 14.927 -31.739 1.00 0.00 C ATOM 220 O PRO A 16 66.653 13.718 -31.931 1.00 0.00 O ATOM 221 CB PRO A 16 67.736 16.019 -29.799 1.00 0.00 C ATOM 222 CG PRO A 16 68.393 14.849 -29.136 1.00 0.00 C ATOM 223 CD PRO A 16 67.256 13.978 -28.572 1.00 0.00 C ATOM 0 HA PRO A 16 65.636 16.249 -30.391 1.00 0.00 H new ATOM 0 HB2 PRO A 16 68.348 16.407 -30.613 1.00 0.00 H new ATOM 0 HB3 PRO A 16 67.584 16.838 -29.096 1.00 0.00 H new ATOM 0 HG2 PRO A 16 68.997 14.287 -29.848 1.00 0.00 H new ATOM 0 HG3 PRO A 16 69.062 15.178 -28.341 1.00 0.00 H new ATOM 0 HD2 PRO A 16 67.458 12.917 -28.716 1.00 0.00 H new ATOM 0 HD3 PRO A 16 67.127 14.135 -27.501 1.00 0.00 H new ATOM 231 N ALA A 17 66.446 15.813 -32.736 1.00 0.00 N ATOM 232 CA ALA A 17 66.521 15.390 -34.139 1.00 0.00 C ATOM 233 C ALA A 17 67.950 15.520 -34.674 1.00 0.00 C ATOM 234 O ALA A 17 68.539 14.536 -35.120 1.00 0.00 O ATOM 235 CB ALA A 17 65.539 16.239 -34.979 1.00 0.00 C ATOM 0 H ALA A 17 66.335 16.818 -32.601 1.00 0.00 H new ATOM 0 HA ALA A 17 66.240 14.339 -34.211 1.00 0.00 H new ATOM 0 HB1 ALA A 17 65.591 15.929 -36.023 1.00 0.00 H new ATOM 0 HB2 ALA A 17 64.524 16.095 -34.608 1.00 0.00 H new ATOM 0 HB3 ALA A 17 65.809 17.292 -34.900 1.00 0.00 H new ATOM 241 N ASP A 18 68.504 16.732 -34.638 1.00 0.00 N ATOM 242 CA ASP A 18 69.865 16.958 -35.129 1.00 0.00 C ATOM 243 C ASP A 18 70.880 16.832 -33.999 1.00 0.00 C ATOM 244 O ASP A 18 72.070 17.084 -34.191 1.00 0.00 O ATOM 245 CB ASP A 18 69.969 18.343 -35.772 1.00 0.00 C ATOM 246 CG ASP A 18 69.168 18.375 -37.069 1.00 0.00 C ATOM 247 OD1 ASP A 18 69.386 17.505 -37.898 1.00 0.00 O1- ATOM 248 OD2 ASP A 18 68.350 19.268 -37.218 1.00 0.00 O ATOM 0 H ASP A 18 68.038 17.565 -34.278 1.00 0.00 H new ATOM 0 HA ASP A 18 70.088 16.197 -35.877 1.00 0.00 H new ATOM 0 HB2 ASP A 18 69.595 19.102 -35.085 1.00 0.00 H new ATOM 0 HB3 ASP A 18 71.013 18.583 -35.973 1.00 0.00 H new ATOM 253 N ASN A 19 70.398 16.418 -32.832 1.00 0.00 N ATOM 254 CA ASN A 19 71.249 16.208 -31.662 1.00 0.00 C ATOM 255 C ASN A 19 72.186 17.382 -31.389 1.00 0.00 C ATOM 256 O ASN A 19 73.370 17.179 -31.124 1.00 0.00 O ATOM 257 CB ASN A 19 72.061 14.917 -31.821 1.00 0.00 C ATOM 258 CG ASN A 19 73.057 15.035 -32.970 1.00 0.00 C ATOM 259 OD1 ASN A 19 74.214 15.398 -32.757 1.00 0.00 O ATOM 260 ND2 ASN A 19 72.676 14.741 -34.184 1.00 0.00 N ATOM 0 H ASN A 19 69.411 16.219 -32.669 1.00 0.00 H new ATOM 0 HA ASN A 19 70.584 16.124 -30.803 1.00 0.00 H new ATOM 0 HB2 ASN A 19 72.593 14.702 -30.894 1.00 0.00 H new ATOM 0 HB3 ASN A 19 71.387 14.080 -32.004 1.00 0.00 H new ATOM 0 HD21 ASN A 19 73.337 14.812 -34.957 1.00 0.00 H new ATOM 0 HD22 ASN A 19 71.717 14.440 -34.359 1.00 0.00 H new ATOM 267 N LEU A 20 71.645 18.607 -31.383 1.00 0.00 N ATOM 268 CA LEU A 20 72.452 19.788 -31.050 1.00 0.00 C ATOM 269 C LEU A 20 72.127 20.237 -29.625 1.00 0.00 C ATOM 270 O LEU A 20 72.491 21.338 -29.207 1.00 0.00 O ATOM 271 CB LEU A 20 72.240 20.950 -32.056 1.00 0.00 C ATOM 272 CG LEU A 20 70.823 20.913 -32.676 1.00 0.00 C ATOM 273 CD1 LEU A 20 69.752 21.353 -31.645 1.00 0.00 C ATOM 274 CD2 LEU A 20 70.793 21.845 -33.906 1.00 0.00 C ATOM 0 H LEU A 20 70.668 18.805 -31.601 1.00 0.00 H new ATOM 0 HA LEU A 20 73.504 19.509 -31.117 1.00 0.00 H new ATOM 0 HB2 LEU A 20 72.392 21.903 -31.549 1.00 0.00 H new ATOM 0 HB3 LEU A 20 72.986 20.888 -32.848 1.00 0.00 H new ATOM 0 HG LEU A 20 70.592 19.891 -32.977 1.00 0.00 H new ATOM 0 HD11 LEU A 20 68.766 21.318 -32.107 1.00 0.00 H new ATOM 0 HD12 LEU A 20 69.775 20.681 -30.787 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.961 22.370 -31.314 1.00 0.00 H new ATOM 0 HD21 LEU A 20 69.799 21.827 -34.352 1.00 0.00 H new ATOM 0 HD22 LEU A 20 71.034 22.862 -33.598 1.00 0.00 H new ATOM 0 HD23 LEU A 20 71.525 21.505 -34.638 1.00 0.00 H new ATOM 286 N ARG A 21 71.406 19.384 -28.896 1.00 0.00 N ATOM 287 CA ARG A 21 70.991 19.696 -27.525 1.00 0.00 C ATOM 288 C ARG A 21 71.673 18.794 -26.498 1.00 0.00 C ATOM 289 O ARG A 21 71.828 19.186 -25.341 1.00 0.00 O ATOM 290 CB ARG A 21 69.475 19.543 -27.415 1.00 0.00 C ATOM 291 CG ARG A 21 69.020 19.843 -25.985 1.00 0.00 C ATOM 292 CD ARG A 21 67.507 20.070 -25.979 1.00 0.00 C ATOM 293 NE ARG A 21 67.184 21.190 -26.872 1.00 0.00 N ATOM 294 CZ ARG A 21 66.286 21.096 -27.859 1.00 0.00 C ATOM 295 NH1 ARG A 21 65.608 19.994 -28.054 1.00 0.00 N ATOM 296 NH2 ARG A 21 66.082 22.121 -28.640 1.00 0.00 N1+ ATOM 0 H ARG A 21 71.097 18.472 -29.231 1.00 0.00 H new ATOM 0 HA ARG A 21 71.289 20.722 -27.308 1.00 0.00 H new ATOM 0 HB2 ARG A 21 68.982 20.220 -28.112 1.00 0.00 H new ATOM 0 HB3 ARG A 21 69.182 18.531 -27.693 1.00 0.00 H new ATOM 0 HG2 ARG A 21 69.279 19.014 -25.326 1.00 0.00 H new ATOM 0 HG3 ARG A 21 69.534 20.725 -25.604 1.00 0.00 H new ATOM 0 HD2 ARG A 21 66.990 19.168 -26.306 1.00 0.00 H new ATOM 0 HD3 ARG A 21 67.163 20.285 -24.967 1.00 0.00 H new ATOM 0 HE ARG A 21 67.665 22.079 -26.734 1.00 0.00 H new ATOM 0 HH11 ARG A 21 65.760 19.188 -27.448 1.00 0.00 H new ATOM 0 HH12 ARG A 21 64.927 19.941 -28.812 1.00 0.00 H new ATOM 0 HH21 ARG A 21 66.605 22.985 -28.495 1.00 0.00 H new ATOM 0 HH22 ARG A 21 65.399 22.059 -29.395 1.00 0.00 H new ATOM 310 N ALA A 22 72.068 17.589 -26.931 1.00 0.00 N ATOM 311 CA ALA A 22 72.725 16.602 -26.050 1.00 0.00 C ATOM 312 C ALA A 22 72.391 16.856 -24.573 1.00 0.00 C ATOM 313 O ALA A 22 73.158 17.534 -23.891 1.00 0.00 O ATOM 314 CB ALA A 22 74.248 16.664 -26.243 1.00 0.00 C ATOM 0 H ALA A 22 71.945 17.269 -27.892 1.00 0.00 H new ATOM 0 HA ALA A 22 72.353 15.614 -26.321 1.00 0.00 H new ATOM 0 HB1 ALA A 22 74.727 15.934 -25.591 1.00 0.00 H new ATOM 0 HB2 ALA A 22 74.493 16.439 -27.281 1.00 0.00 H new ATOM 0 HB3 ALA A 22 74.606 17.663 -25.994 1.00 0.00 H new ATOM 320 N GLU A 23 71.249 16.319 -24.104 1.00 0.00 N ATOM 321 CA GLU A 23 70.793 16.504 -22.706 1.00 0.00 C ATOM 322 C GLU A 23 71.529 17.656 -22.013 1.00 0.00 C ATOM 323 O GLU A 23 71.024 18.778 -21.953 1.00 0.00 O ATOM 324 CB GLU A 23 70.992 15.199 -21.903 1.00 0.00 C ATOM 325 CG GLU A 23 69.879 14.152 -22.229 1.00 0.00 C ATOM 326 CD GLU A 23 70.458 12.954 -22.982 1.00 0.00 C ATOM 327 OE1 GLU A 23 71.024 12.091 -22.332 1.00 0.00 O1- ATOM 328 OE2 GLU A 23 70.321 12.917 -24.193 1.00 0.00 O ATOM 0 H GLU A 23 70.621 15.751 -24.672 1.00 0.00 H new ATOM 0 HA GLU A 23 69.733 16.756 -22.739 1.00 0.00 H new ATOM 0 HB2 GLU A 23 71.970 14.775 -22.131 1.00 0.00 H new ATOM 0 HB3 GLU A 23 70.982 15.422 -20.836 1.00 0.00 H new ATOM 0 HG2 GLU A 23 69.411 13.814 -21.305 1.00 0.00 H new ATOM 0 HG3 GLU A 23 69.098 14.620 -22.829 1.00 0.00 H new ATOM 335 N GLY A 24 72.734 17.377 -21.524 1.00 0.00 N ATOM 336 CA GLY A 24 73.544 18.402 -20.871 1.00 0.00 C ATOM 337 C GLY A 24 74.715 17.775 -20.117 1.00 0.00 C ATOM 338 O GLY A 24 75.350 18.423 -19.284 1.00 0.00 O ATOM 0 H GLY A 24 73.170 16.456 -21.567 1.00 0.00 H new ATOM 0 HA2 GLY A 24 73.920 19.103 -21.616 1.00 0.00 H new ATOM 0 HA3 GLY A 24 72.925 18.974 -20.179 1.00 0.00 H new ATOM 342 N LEU A 25 74.993 16.513 -20.420 1.00 0.00 N ATOM 343 CA LEU A 25 76.088 15.797 -19.774 1.00 0.00 C ATOM 344 C LEU A 25 76.481 14.589 -20.630 1.00 0.00 C ATOM 345 O LEU A 25 76.095 14.497 -21.795 1.00 0.00 O ATOM 346 CB LEU A 25 75.640 15.343 -18.361 1.00 0.00 C ATOM 347 CG LEU A 25 76.736 15.646 -17.314 1.00 0.00 C ATOM 348 CD1 LEU A 25 76.738 17.145 -16.945 1.00 0.00 C ATOM 349 CD2 LEU A 25 76.486 14.804 -16.054 1.00 0.00 C ATOM 0 H LEU A 25 74.477 15.964 -21.108 1.00 0.00 H new ATOM 0 HA LEU A 25 76.954 16.451 -19.674 1.00 0.00 H new ATOM 0 HB2 LEU A 25 74.717 15.853 -18.086 1.00 0.00 H new ATOM 0 HB3 LEU A 25 75.424 14.275 -18.369 1.00 0.00 H new ATOM 0 HG LEU A 25 77.707 15.393 -17.740 1.00 0.00 H new ATOM 0 HD11 LEU A 25 77.517 17.337 -16.207 1.00 0.00 H new ATOM 0 HD12 LEU A 25 76.930 17.739 -17.838 1.00 0.00 H new ATOM 0 HD13 LEU A 25 75.768 17.419 -16.529 1.00 0.00 H new ATOM 0 HD21 LEU A 25 77.258 15.017 -15.315 1.00 0.00 H new ATOM 0 HD22 LEU A 25 75.509 15.051 -15.639 1.00 0.00 H new ATOM 0 HD23 LEU A 25 76.513 13.745 -16.312 1.00 0.00 H new ATOM 361 N GLU A 26 77.222 13.649 -20.040 1.00 0.00 N ATOM 362 CA GLU A 26 77.626 12.435 -20.759 1.00 0.00 C ATOM 363 C GLU A 26 76.763 11.252 -20.327 1.00 0.00 C ATOM 364 O GLU A 26 75.884 11.389 -19.476 1.00 0.00 O ATOM 365 CB GLU A 26 79.100 12.106 -20.479 1.00 0.00 C ATOM 366 CG GLU A 26 80.019 13.296 -20.876 1.00 0.00 C ATOM 367 CD GLU A 26 80.715 13.879 -19.645 1.00 0.00 C ATOM 368 OE1 GLU A 26 81.585 13.211 -19.110 1.00 0.00 O1- ATOM 369 OE2 GLU A 26 80.366 14.982 -19.258 1.00 0.00 O ATOM 0 H GLU A 26 77.553 13.702 -19.077 1.00 0.00 H new ATOM 0 HA GLU A 26 77.493 12.616 -21.826 1.00 0.00 H new ATOM 0 HB2 GLU A 26 79.231 11.877 -19.421 1.00 0.00 H new ATOM 0 HB3 GLU A 26 79.390 11.215 -21.036 1.00 0.00 H new ATOM 0 HG2 GLU A 26 80.765 12.961 -21.596 1.00 0.00 H new ATOM 0 HG3 GLU A 26 79.428 14.070 -21.366 1.00 0.00 H new ATOM 376 N CYS A 27 77.035 10.090 -20.914 1.00 0.00 N ATOM 377 CA CYS A 27 76.296 8.873 -20.584 1.00 0.00 C ATOM 378 C CYS A 27 76.014 8.791 -19.085 1.00 0.00 C ATOM 379 O CYS A 27 76.691 9.431 -18.281 1.00 0.00 O ATOM 380 CB CYS A 27 77.108 7.648 -21.027 1.00 0.00 C ATOM 381 SG CYS A 27 75.991 6.270 -21.386 1.00 0.00 S ATOM 0 H CYS A 27 77.761 9.964 -21.620 1.00 0.00 H new ATOM 0 HA CYS A 27 75.341 8.894 -21.109 1.00 0.00 H new ATOM 0 HB2 CYS A 27 77.697 7.891 -21.912 1.00 0.00 H new ATOM 0 HB3 CYS A 27 77.811 7.364 -20.244 1.00 0.00 H new ATOM 386 N THR A 28 75.020 7.990 -18.717 1.00 0.00 N ATOM 387 CA THR A 28 74.673 7.825 -17.311 1.00 0.00 C ATOM 388 C THR A 28 75.715 6.947 -16.627 1.00 0.00 C ATOM 389 O THR A 28 76.666 6.499 -17.270 1.00 0.00 O ATOM 390 CB THR A 28 73.276 7.200 -17.180 1.00 0.00 C ATOM 391 OG1 THR A 28 72.423 7.757 -18.170 1.00 0.00 O ATOM 392 CG2 THR A 28 72.682 7.474 -15.789 1.00 0.00 C ATOM 0 H THR A 28 74.446 7.450 -19.365 1.00 0.00 H new ATOM 0 HA THR A 28 74.659 8.802 -16.827 1.00 0.00 H new ATOM 0 HB THR A 28 73.361 6.122 -17.315 1.00 0.00 H new ATOM 0 HG1 THR A 28 71.530 7.361 -18.093 1.00 0.00 H new ATOM 0 HG21 THR A 28 71.693 7.022 -15.720 1.00 0.00 H new ATOM 0 HG22 THR A 28 73.331 7.045 -15.025 1.00 0.00 H new ATOM 0 HG23 THR A 28 72.601 8.550 -15.634 1.00 0.00 H new ATOM 400 N LYS A 29 75.562 6.729 -15.319 1.00 0.00 N ATOM 401 CA LYS A 29 76.535 5.932 -14.563 1.00 0.00 C ATOM 402 C LYS A 29 75.853 4.792 -13.812 1.00 0.00 C ATOM 403 O LYS A 29 74.734 4.937 -13.322 1.00 0.00 O ATOM 404 CB LYS A 29 77.262 6.832 -13.561 1.00 0.00 C ATOM 405 CG LYS A 29 78.059 7.906 -14.319 1.00 0.00 C ATOM 406 CD LYS A 29 79.020 8.650 -13.348 1.00 0.00 C ATOM 407 CE LYS A 29 80.270 9.199 -14.085 1.00 0.00 C ATOM 408 NZ LYS A 29 80.096 10.649 -14.382 1.00 0.00 N1+ ATOM 0 H LYS A 29 74.784 7.088 -14.765 1.00 0.00 H new ATOM 0 HA LYS A 29 77.245 5.502 -15.269 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.543 7.303 -12.891 1.00 0.00 H new ATOM 0 HB3 LYS A 29 77.932 6.237 -12.941 1.00 0.00 H new ATOM 0 HG2 LYS A 29 78.630 7.444 -15.124 1.00 0.00 H new ATOM 0 HG3 LYS A 29 77.375 8.618 -14.781 1.00 0.00 H new ATOM 0 HD2 LYS A 29 78.489 9.473 -12.870 1.00 0.00 H new ATOM 0 HD3 LYS A 29 79.334 7.971 -12.556 1.00 0.00 H new ATOM 0 HE2 LYS A 29 81.158 9.050 -13.471 1.00 0.00 H new ATOM 0 HE3 LYS A 29 80.427 8.647 -15.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 80.939 11.006 -14.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 79.259 10.782 -14.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 79.968 11.173 -13.493 1.00 0.00 H new ATOM 422 N THR A 30 76.560 3.670 -13.699 1.00 0.00 N ATOM 423 CA THR A 30 76.065 2.506 -12.978 1.00 0.00 C ATOM 424 C THR A 30 77.208 1.960 -12.100 1.00 0.00 C ATOM 425 O THR A 30 78.379 2.200 -12.393 1.00 0.00 O ATOM 426 CB THR A 30 75.580 1.435 -13.989 1.00 0.00 C ATOM 427 OG1 THR A 30 75.645 1.982 -15.298 1.00 0.00 O ATOM 428 CG2 THR A 30 74.123 1.023 -13.699 1.00 0.00 C ATOM 0 H THR A 30 77.488 3.545 -14.104 1.00 0.00 H new ATOM 0 HA THR A 30 75.221 2.776 -12.344 1.00 0.00 H new ATOM 0 HB THR A 30 76.218 0.556 -13.900 1.00 0.00 H new ATOM 0 HG1 THR A 30 75.342 1.313 -15.947 1.00 0.00 H new ATOM 0 HG21 THR A 30 73.807 0.271 -14.422 1.00 0.00 H new ATOM 0 HG22 THR A 30 74.055 0.610 -12.693 1.00 0.00 H new ATOM 0 HG23 THR A 30 73.475 1.896 -13.777 1.00 0.00 H new ATOM 436 N CYS A 31 76.878 1.239 -11.032 1.00 0.00 N ATOM 437 CA CYS A 31 77.912 0.694 -10.150 1.00 0.00 C ATOM 438 C CYS A 31 78.911 -0.127 -10.969 1.00 0.00 C ATOM 439 O CYS A 31 80.031 -0.370 -10.518 1.00 0.00 O ATOM 440 CB CYS A 31 77.251 -0.167 -9.053 1.00 0.00 C ATOM 441 SG CYS A 31 76.918 0.858 -7.589 1.00 0.00 S ATOM 0 H CYS A 31 75.920 1.020 -10.757 1.00 0.00 H new ATOM 0 HA CYS A 31 78.455 1.508 -9.669 1.00 0.00 H new ATOM 0 HB2 CYS A 31 76.322 -0.598 -9.426 1.00 0.00 H new ATOM 0 HB3 CYS A 31 77.904 -0.998 -8.786 1.00 0.00 H new ATOM 446 N GLN A 32 78.514 -0.556 -12.171 1.00 0.00 N ATOM 447 CA GLN A 32 79.413 -1.343 -13.027 1.00 0.00 C ATOM 448 C GLN A 32 80.063 -0.464 -14.089 1.00 0.00 C ATOM 449 O GLN A 32 81.239 -0.637 -14.406 1.00 0.00 O ATOM 450 CB GLN A 32 78.644 -2.508 -13.684 1.00 0.00 C ATOM 451 CG GLN A 32 79.313 -2.937 -15.006 1.00 0.00 C ATOM 452 CD GLN A 32 78.892 -4.363 -15.364 1.00 0.00 C ATOM 453 OE1 GLN A 32 78.944 -5.253 -14.514 1.00 0.00 O ATOM 454 NE2 GLN A 32 78.467 -4.637 -16.567 1.00 0.00 N ATOM 0 H GLN A 32 77.593 -0.377 -12.570 1.00 0.00 H new ATOM 0 HA GLN A 32 80.204 -1.756 -12.402 1.00 0.00 H new ATOM 0 HB2 GLN A 32 78.607 -3.355 -13.000 1.00 0.00 H new ATOM 0 HB3 GLN A 32 77.614 -2.207 -13.875 1.00 0.00 H new ATOM 0 HG2 GLN A 32 79.029 -2.253 -15.806 1.00 0.00 H new ATOM 0 HG3 GLN A 32 80.397 -2.882 -14.909 1.00 0.00 H new ATOM 0 HE21 GLN A 32 78.423 -3.901 -17.272 1.00 0.00 H new ATOM 0 HE22 GLN A 32 78.179 -5.587 -16.802 1.00 0.00 H new ATOM 463 N ASN A 33 79.298 0.454 -14.657 1.00 0.00 N ATOM 464 CA ASN A 33 79.833 1.314 -15.707 1.00 0.00 C ATOM 465 C ASN A 33 80.402 2.584 -15.117 1.00 0.00 C ATOM 466 O ASN A 33 80.970 3.401 -15.843 1.00 0.00 O ATOM 467 CB ASN A 33 78.737 1.646 -16.722 1.00 0.00 C ATOM 468 CG ASN A 33 78.413 0.410 -17.556 1.00 0.00 C ATOM 469 OD1 ASN A 33 79.312 -0.352 -17.909 1.00 0.00 O ATOM 470 ND2 ASN A 33 77.176 0.161 -17.890 1.00 0.00 N ATOM 0 H ASN A 33 78.321 0.624 -14.416 1.00 0.00 H new ATOM 0 HA ASN A 33 80.637 0.782 -16.215 1.00 0.00 H new ATOM 0 HB2 ASN A 33 77.842 1.992 -16.205 1.00 0.00 H new ATOM 0 HB3 ASN A 33 79.064 2.458 -17.371 1.00 0.00 H new ATOM 0 HD21 ASN A 33 76.954 -0.666 -18.444 1.00 0.00 H new ATOM 0 HD22 ASN A 33 76.431 0.793 -17.597 1.00 0.00 H new ATOM 477 N TYR A 34 80.270 2.748 -13.796 1.00 0.00 N ATOM 478 CA TYR A 34 80.821 3.923 -13.126 1.00 0.00 C ATOM 479 C TYR A 34 82.176 4.254 -13.743 1.00 0.00 C ATOM 480 O TYR A 34 82.419 5.382 -14.172 1.00 0.00 O ATOM 481 CB TYR A 34 80.986 3.640 -11.631 1.00 0.00 C ATOM 482 CG TYR A 34 81.745 4.766 -10.965 1.00 0.00 C ATOM 483 CD1 TYR A 34 81.080 5.944 -10.606 1.00 0.00 C ATOM 484 CD2 TYR A 34 83.113 4.627 -10.701 1.00 0.00 C ATOM 485 CE1 TYR A 34 81.784 6.982 -9.982 1.00 0.00 C ATOM 486 CE2 TYR A 34 83.817 5.665 -10.079 1.00 0.00 C ATOM 487 CZ TYR A 34 83.152 6.843 -9.718 1.00 0.00 C ATOM 488 OH TYR A 34 83.844 7.866 -9.101 1.00 0.00 O ATOM 0 H TYR A 34 79.793 2.090 -13.180 1.00 0.00 H new ATOM 0 HA TYR A 34 80.144 4.768 -13.250 1.00 0.00 H new ATOM 0 HB2 TYR A 34 80.007 3.527 -11.165 1.00 0.00 H new ATOM 0 HB3 TYR A 34 81.518 2.699 -11.488 1.00 0.00 H new ATOM 0 HD1 TYR A 34 80.025 6.053 -10.810 1.00 0.00 H new ATOM 0 HD2 TYR A 34 83.626 3.718 -10.978 1.00 0.00 H new ATOM 0 HE1 TYR A 34 81.271 7.891 -9.704 1.00 0.00 H new ATOM 0 HE2 TYR A 34 84.873 5.557 -9.878 1.00 0.00 H new ATOM 0 HH TYR A 34 84.783 7.606 -8.991 1.00 0.00 H new ATOM 498 N ASP A 35 83.027 3.225 -13.858 1.00 0.00 N ATOM 499 CA ASP A 35 84.328 3.365 -14.506 1.00 0.00 C ATOM 500 C ASP A 35 84.364 2.565 -15.818 1.00 0.00 C ATOM 501 O ASP A 35 85.364 2.626 -16.533 1.00 0.00 O ATOM 502 CB ASP A 35 85.455 2.877 -13.558 1.00 0.00 C ATOM 503 CG ASP A 35 86.068 4.048 -12.784 1.00 0.00 C ATOM 504 OD1 ASP A 35 86.748 4.851 -13.405 1.00 0.00 O ATOM 505 OD2 ASP A 35 85.856 4.119 -11.586 1.00 0.00 O1- ATOM 0 H ASP A 35 82.832 2.287 -13.508 1.00 0.00 H new ATOM 0 HA ASP A 35 84.488 4.419 -14.734 1.00 0.00 H new ATOM 0 HB2 ASP A 35 85.054 2.144 -12.858 1.00 0.00 H new ATOM 0 HB3 ASP A 35 86.230 2.374 -14.137 1.00 0.00 H new ATOM 510 N LEU A 36 83.267 1.850 -16.176 1.00 0.00 N ATOM 511 CA LEU A 36 83.244 1.111 -17.456 1.00 0.00 C ATOM 512 C LEU A 36 82.444 1.915 -18.479 1.00 0.00 C ATOM 513 O LEU A 36 81.272 2.217 -18.265 1.00 0.00 O ATOM 514 CB LEU A 36 82.668 -0.333 -17.308 1.00 0.00 C ATOM 515 CG LEU A 36 83.472 -1.386 -18.114 1.00 0.00 C ATOM 516 CD1 LEU A 36 83.665 -0.955 -19.578 1.00 0.00 C ATOM 517 CD2 LEU A 36 84.834 -1.663 -17.459 1.00 0.00 C ATOM 0 H LEU A 36 82.417 1.772 -15.617 1.00 0.00 H new ATOM 0 HA LEU A 36 84.272 0.992 -17.797 1.00 0.00 H new ATOM 0 HB2 LEU A 36 82.666 -0.612 -16.254 1.00 0.00 H new ATOM 0 HB3 LEU A 36 81.630 -0.341 -17.642 1.00 0.00 H new ATOM 0 HG LEU A 36 82.889 -2.307 -18.107 1.00 0.00 H new ATOM 0 HD11 LEU A 36 84.233 -1.718 -20.110 1.00 0.00 H new ATOM 0 HD12 LEU A 36 82.691 -0.830 -20.052 1.00 0.00 H new ATOM 0 HD13 LEU A 36 84.208 -0.010 -19.611 1.00 0.00 H new ATOM 0 HD21 LEU A 36 85.376 -2.405 -18.046 1.00 0.00 H new ATOM 0 HD22 LEU A 36 85.412 -0.740 -17.418 1.00 0.00 H new ATOM 0 HD23 LEU A 36 84.681 -2.041 -16.448 1.00 0.00 H new ATOM 529 N GLU A 37 83.107 2.303 -19.564 1.00 0.00 N ATOM 530 CA GLU A 37 82.463 3.131 -20.580 1.00 0.00 C ATOM 531 C GLU A 37 81.175 2.494 -21.091 1.00 0.00 C ATOM 532 O GLU A 37 81.106 1.286 -21.321 1.00 0.00 O ATOM 533 CB GLU A 37 83.417 3.385 -21.764 1.00 0.00 C ATOM 534 CG GLU A 37 84.402 4.518 -21.435 1.00 0.00 C ATOM 535 CD GLU A 37 85.093 4.987 -22.711 1.00 0.00 C ATOM 536 OE1 GLU A 37 85.653 4.152 -23.402 1.00 0.00 O ATOM 537 OE2 GLU A 37 85.039 6.175 -22.987 1.00 0.00 O1- ATOM 0 H GLU A 37 84.078 2.062 -19.762 1.00 0.00 H new ATOM 0 HA GLU A 37 82.213 4.081 -20.108 1.00 0.00 H new ATOM 0 HB2 GLU A 37 83.968 2.473 -21.996 1.00 0.00 H new ATOM 0 HB3 GLU A 37 82.841 3.644 -22.652 1.00 0.00 H new ATOM 0 HG2 GLU A 37 83.872 5.350 -20.970 1.00 0.00 H new ATOM 0 HG3 GLU A 37 85.143 4.171 -20.715 1.00 0.00 H new ATOM 544 N CYS A 38 80.171 3.346 -21.302 1.00 0.00 N ATOM 545 CA CYS A 38 78.884 2.905 -21.833 1.00 0.00 C ATOM 546 C CYS A 38 78.911 3.002 -23.358 1.00 0.00 C ATOM 547 O CYS A 38 79.454 3.956 -23.913 1.00 0.00 O ATOM 548 CB CYS A 38 77.744 3.780 -21.242 1.00 0.00 C ATOM 549 SG CYS A 38 77.128 4.989 -22.458 1.00 0.00 S ATOM 0 H CYS A 38 80.226 4.347 -21.112 1.00 0.00 H new ATOM 0 HA CYS A 38 78.700 1.869 -21.550 1.00 0.00 H new ATOM 0 HB2 CYS A 38 76.924 3.140 -20.917 1.00 0.00 H new ATOM 0 HB3 CYS A 38 78.108 4.305 -20.359 1.00 0.00 H new ATOM 554 N MET A 39 78.299 2.035 -24.025 1.00 0.00 N ATOM 555 CA MET A 39 78.245 2.064 -25.481 1.00 0.00 C ATOM 556 C MET A 39 77.225 3.120 -25.909 1.00 0.00 C ATOM 557 O MET A 39 76.105 3.130 -25.398 1.00 0.00 O ATOM 558 CB MET A 39 77.825 0.665 -26.015 1.00 0.00 C ATOM 559 CG MET A 39 78.857 0.094 -27.018 1.00 0.00 C ATOM 560 SD MET A 39 78.003 -0.920 -28.249 1.00 0.00 S ATOM 561 CE MET A 39 77.558 0.443 -29.354 1.00 0.00 C ATOM 0 H MET A 39 77.840 1.233 -23.592 1.00 0.00 H new ATOM 0 HA MET A 39 79.224 2.313 -25.890 1.00 0.00 H new ATOM 0 HB2 MET A 39 77.713 -0.024 -25.178 1.00 0.00 H new ATOM 0 HB3 MET A 39 76.851 0.739 -26.499 1.00 0.00 H new ATOM 0 HG2 MET A 39 79.392 0.907 -27.509 1.00 0.00 H new ATOM 0 HG3 MET A 39 79.600 -0.504 -26.491 1.00 0.00 H new ATOM 0 HE1 MET A 39 77.008 0.052 -30.210 1.00 0.00 H new ATOM 0 HE2 MET A 39 76.934 1.157 -28.817 1.00 0.00 H new ATOM 0 HE3 MET A 39 78.464 0.941 -29.700 1.00 0.00 H new ATOM 571 N SER A 40 77.637 4.021 -26.816 1.00 0.00 N ATOM 572 CA SER A 40 76.769 5.112 -27.305 1.00 0.00 C ATOM 573 C SER A 40 75.291 4.814 -27.054 1.00 0.00 C ATOM 574 O SER A 40 74.782 3.773 -27.468 1.00 0.00 O ATOM 575 CB SER A 40 76.995 5.309 -28.806 1.00 0.00 C ATOM 576 OG SER A 40 75.845 5.923 -29.375 1.00 0.00 O ATOM 0 H SER A 40 78.570 4.017 -27.229 1.00 0.00 H new ATOM 0 HA SER A 40 77.030 6.018 -26.758 1.00 0.00 H new ATOM 0 HB2 SER A 40 77.875 5.930 -28.975 1.00 0.00 H new ATOM 0 HB3 SER A 40 77.185 4.349 -29.286 1.00 0.00 H new ATOM 0 HG SER A 40 75.985 6.053 -30.336 1.00 0.00 H new ATOM 582 N MET A 41 74.627 5.703 -26.323 1.00 0.00 N ATOM 583 CA MET A 41 73.229 5.481 -25.964 1.00 0.00 C ATOM 584 C MET A 41 72.299 5.758 -27.149 1.00 0.00 C ATOM 585 O MET A 41 72.416 6.775 -27.834 1.00 0.00 O ATOM 586 CB MET A 41 72.838 6.393 -24.764 1.00 0.00 C ATOM 587 CG MET A 41 72.605 5.588 -23.459 1.00 0.00 C ATOM 588 SD MET A 41 71.361 6.437 -22.446 1.00 0.00 S ATOM 589 CE MET A 41 71.551 5.459 -20.933 1.00 0.00 C ATOM 0 H MET A 41 75.026 6.573 -25.971 1.00 0.00 H new ATOM 0 HA MET A 41 73.116 4.435 -25.680 1.00 0.00 H new ATOM 0 HB2 MET A 41 73.626 7.128 -24.598 1.00 0.00 H new ATOM 0 HB3 MET A 41 71.933 6.947 -25.012 1.00 0.00 H new ATOM 0 HG2 MET A 41 72.270 4.578 -23.696 1.00 0.00 H new ATOM 0 HG3 MET A 41 73.539 5.493 -22.905 1.00 0.00 H new ATOM 0 HE1 MET A 41 70.862 5.827 -20.173 1.00 0.00 H new ATOM 0 HE2 MET A 41 71.331 4.413 -21.146 1.00 0.00 H new ATOM 0 HE3 MET A 41 72.575 5.547 -20.569 1.00 0.00 H new ATOM 599 N GLY A 42 71.347 4.847 -27.342 1.00 0.00 N ATOM 600 CA GLY A 42 70.339 4.982 -28.393 1.00 0.00 C ATOM 601 C GLY A 42 69.019 5.412 -27.774 1.00 0.00 C ATOM 602 O GLY A 42 68.275 4.578 -27.265 1.00 0.00 O ATOM 0 H GLY A 42 71.252 4.001 -26.780 1.00 0.00 H new ATOM 0 HA2 GLY A 42 70.663 5.716 -29.131 1.00 0.00 H new ATOM 0 HA3 GLY A 42 70.216 4.035 -28.918 1.00 0.00 H new ATOM 606 N CYS A 43 68.717 6.711 -27.876 1.00 0.00 N ATOM 607 CA CYS A 43 67.468 7.285 -27.343 1.00 0.00 C ATOM 608 C CYS A 43 66.784 6.352 -26.340 1.00 0.00 C ATOM 609 O CYS A 43 65.610 6.020 -26.489 1.00 0.00 O ATOM 610 CB CYS A 43 66.515 7.586 -28.498 1.00 0.00 C ATOM 611 SG CYS A 43 65.267 8.781 -27.960 1.00 0.00 S ATOM 0 H CYS A 43 69.325 7.394 -28.327 1.00 0.00 H new ATOM 0 HA CYS A 43 67.724 8.203 -26.813 1.00 0.00 H new ATOM 0 HB2 CYS A 43 67.071 7.983 -29.347 1.00 0.00 H new ATOM 0 HB3 CYS A 43 66.033 6.668 -28.834 1.00 0.00 H new ATOM 616 N VAL A 44 67.530 5.929 -25.313 1.00 0.00 N ATOM 617 CA VAL A 44 66.984 5.031 -24.294 1.00 0.00 C ATOM 618 C VAL A 44 66.332 5.844 -23.188 1.00 0.00 C ATOM 619 O VAL A 44 66.971 6.179 -22.191 1.00 0.00 O ATOM 620 CB VAL A 44 68.112 4.178 -23.692 1.00 0.00 C ATOM 621 CG1 VAL A 44 67.536 3.064 -22.789 1.00 0.00 C ATOM 622 CG2 VAL A 44 68.932 3.558 -24.829 1.00 0.00 C ATOM 0 H VAL A 44 68.505 6.192 -25.168 1.00 0.00 H new ATOM 0 HA VAL A 44 66.242 4.381 -24.758 1.00 0.00 H new ATOM 0 HB VAL A 44 68.750 4.815 -23.079 1.00 0.00 H new ATOM 0 HG11 VAL A 44 68.353 2.473 -22.374 1.00 0.00 H new ATOM 0 HG12 VAL A 44 66.964 3.513 -21.977 1.00 0.00 H new ATOM 0 HG13 VAL A 44 66.884 2.419 -23.378 1.00 0.00 H new ATOM 0 HG21 VAL A 44 69.735 2.951 -24.410 1.00 0.00 H new ATOM 0 HG22 VAL A 44 68.286 2.931 -25.443 1.00 0.00 H new ATOM 0 HG23 VAL A 44 69.359 4.350 -25.443 1.00 0.00 H new ATOM 632 N SER A 45 65.050 6.141 -23.359 1.00 0.00 N ATOM 633 CA SER A 45 64.318 6.899 -22.358 1.00 0.00 C ATOM 634 C SER A 45 63.908 5.990 -21.208 1.00 0.00 C ATOM 635 O SER A 45 63.363 4.909 -21.426 1.00 0.00 O ATOM 636 CB SER A 45 63.071 7.517 -22.987 1.00 0.00 C ATOM 637 OG SER A 45 63.421 8.129 -24.222 1.00 0.00 O ATOM 0 H SER A 45 64.501 5.870 -24.175 1.00 0.00 H new ATOM 0 HA SER A 45 64.963 7.690 -21.976 1.00 0.00 H new ATOM 0 HB2 SER A 45 62.314 6.750 -23.150 1.00 0.00 H new ATOM 0 HB3 SER A 45 62.637 8.255 -22.312 1.00 0.00 H new ATOM 0 HG SER A 45 62.622 8.525 -24.629 1.00 0.00 H new ATOM 643 N GLY A 46 64.183 6.428 -19.987 1.00 0.00 N ATOM 644 CA GLY A 46 63.846 5.633 -18.816 1.00 0.00 C ATOM 645 C GLY A 46 63.771 6.497 -17.567 1.00 0.00 C ATOM 646 O GLY A 46 64.285 7.616 -17.536 1.00 0.00 O ATOM 0 H GLY A 46 64.634 7.320 -19.783 1.00 0.00 H new ATOM 0 HA2 GLY A 46 62.890 5.135 -18.975 1.00 0.00 H new ATOM 0 HA3 GLY A 46 64.593 4.852 -18.676 1.00 0.00 H new ATOM 650 N CYS A 47 63.130 5.959 -16.532 1.00 0.00 N ATOM 651 CA CYS A 47 62.987 6.664 -15.257 1.00 0.00 C ATOM 652 C CYS A 47 63.881 6.001 -14.210 1.00 0.00 C ATOM 653 O CYS A 47 64.066 4.785 -14.228 1.00 0.00 O ATOM 654 CB CYS A 47 61.509 6.627 -14.797 1.00 0.00 C ATOM 655 SG CYS A 47 60.436 6.287 -16.215 1.00 0.00 S ATOM 0 H CYS A 47 62.700 5.034 -16.550 1.00 0.00 H new ATOM 0 HA CYS A 47 63.288 7.704 -15.380 1.00 0.00 H new ATOM 0 HB2 CYS A 47 61.375 5.859 -14.035 1.00 0.00 H new ATOM 0 HB3 CYS A 47 61.236 7.579 -14.342 1.00 0.00 H new ATOM 660 N LEU A 48 64.410 6.801 -13.291 1.00 0.00 N ATOM 661 CA LEU A 48 65.260 6.269 -12.232 1.00 0.00 C ATOM 662 C LEU A 48 65.742 7.392 -11.317 1.00 0.00 C ATOM 663 O LEU A 48 65.454 8.566 -11.554 1.00 0.00 O ATOM 664 CB LEU A 48 66.462 5.489 -12.810 1.00 0.00 C ATOM 665 CG LEU A 48 67.127 6.246 -14.002 1.00 0.00 C ATOM 666 CD1 LEU A 48 68.375 6.995 -13.527 1.00 0.00 C ATOM 667 CD2 LEU A 48 67.545 5.250 -15.095 1.00 0.00 C ATOM 0 H LEU A 48 64.267 7.810 -13.257 1.00 0.00 H new ATOM 0 HA LEU A 48 64.662 5.572 -11.646 1.00 0.00 H new ATOM 0 HB2 LEU A 48 67.201 5.327 -12.025 1.00 0.00 H new ATOM 0 HB3 LEU A 48 66.130 4.506 -13.144 1.00 0.00 H new ATOM 0 HG LEU A 48 66.400 6.954 -14.401 1.00 0.00 H new ATOM 0 HD11 LEU A 48 68.828 7.518 -14.369 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.096 7.717 -12.759 1.00 0.00 H new ATOM 0 HD13 LEU A 48 69.091 6.284 -13.114 1.00 0.00 H new ATOM 0 HD21 LEU A 48 68.008 5.790 -15.921 1.00 0.00 H new ATOM 0 HD22 LEU A 48 68.258 4.536 -14.683 1.00 0.00 H new ATOM 0 HD23 LEU A 48 66.666 4.717 -15.457 1.00 0.00 H new ATOM 679 N CYS A 49 66.454 7.015 -10.260 1.00 0.00 N ATOM 680 CA CYS A 49 66.952 7.986 -9.284 1.00 0.00 C ATOM 681 C CYS A 49 67.495 9.238 -9.998 1.00 0.00 C ATOM 682 O CYS A 49 68.027 9.145 -11.095 1.00 0.00 O ATOM 683 CB CYS A 49 68.056 7.336 -8.409 1.00 0.00 C ATOM 684 SG CYS A 49 68.566 5.749 -9.125 1.00 0.00 S ATOM 0 H CYS A 49 66.700 6.047 -10.055 1.00 0.00 H new ATOM 0 HA CYS A 49 66.128 8.292 -8.640 1.00 0.00 H new ATOM 0 HB2 CYS A 49 68.914 8.004 -8.337 1.00 0.00 H new ATOM 0 HB3 CYS A 49 67.685 7.184 -7.395 1.00 0.00 H new ATOM 689 N PRO A 50 67.382 10.404 -9.410 1.00 0.00 N ATOM 690 CA PRO A 50 67.885 11.652 -10.056 1.00 0.00 C ATOM 691 C PRO A 50 69.381 11.544 -10.402 1.00 0.00 C ATOM 692 O PRO A 50 70.060 10.634 -9.928 1.00 0.00 O ATOM 693 CB PRO A 50 67.617 12.761 -9.012 1.00 0.00 C ATOM 694 CG PRO A 50 67.347 12.044 -7.721 1.00 0.00 C ATOM 695 CD PRO A 50 66.784 10.673 -8.095 1.00 0.00 C ATOM 0 HA PRO A 50 67.389 11.855 -11.005 1.00 0.00 H new ATOM 0 HB2 PRO A 50 68.475 13.427 -8.918 1.00 0.00 H new ATOM 0 HB3 PRO A 50 66.766 13.377 -9.304 1.00 0.00 H new ATOM 0 HG2 PRO A 50 68.261 11.941 -7.136 1.00 0.00 H new ATOM 0 HG3 PRO A 50 66.637 12.601 -7.109 1.00 0.00 H new ATOM 0 HD2 PRO A 50 67.061 9.913 -7.365 1.00 0.00 H new ATOM 0 HD3 PRO A 50 65.695 10.686 -8.144 1.00 0.00 H new ATOM 703 N PRO A 51 69.906 12.450 -11.201 1.00 0.00 N ATOM 704 CA PRO A 51 71.356 12.427 -11.581 1.00 0.00 C ATOM 705 C PRO A 51 72.278 12.402 -10.354 1.00 0.00 C ATOM 706 O PRO A 51 71.955 12.974 -9.313 1.00 0.00 O ATOM 707 CB PRO A 51 71.554 13.728 -12.386 1.00 0.00 C ATOM 708 CG PRO A 51 70.187 14.134 -12.853 1.00 0.00 C ATOM 709 CD PRO A 51 69.186 13.572 -11.839 1.00 0.00 C ATOM 0 HA PRO A 51 71.610 11.530 -12.146 1.00 0.00 H new ATOM 0 HB2 PRO A 51 72.003 14.506 -11.768 1.00 0.00 H new ATOM 0 HB3 PRO A 51 72.224 13.567 -13.231 1.00 0.00 H new ATOM 0 HG2 PRO A 51 70.106 15.219 -12.915 1.00 0.00 H new ATOM 0 HG3 PRO A 51 69.987 13.742 -13.850 1.00 0.00 H new ATOM 0 HD2 PRO A 51 68.895 14.326 -11.107 1.00 0.00 H new ATOM 0 HD3 PRO A 51 68.273 13.233 -12.327 1.00 0.00 H new ATOM 717 N GLY A 52 73.431 11.735 -10.492 1.00 0.00 N ATOM 718 CA GLY A 52 74.407 11.635 -9.395 1.00 0.00 C ATOM 719 C GLY A 52 74.303 10.282 -8.686 1.00 0.00 C ATOM 720 O GLY A 52 75.007 10.033 -7.708 1.00 0.00 O ATOM 0 H GLY A 52 73.712 11.258 -11.349 1.00 0.00 H new ATOM 0 HA2 GLY A 52 75.415 11.767 -9.788 1.00 0.00 H new ATOM 0 HA3 GLY A 52 74.237 12.439 -8.678 1.00 0.00 H new ATOM 724 N MET A 53 73.447 9.409 -9.202 1.00 0.00 N ATOM 725 CA MET A 53 73.281 8.065 -8.622 1.00 0.00 C ATOM 726 C MET A 53 73.598 6.990 -9.664 1.00 0.00 C ATOM 727 O MET A 53 73.767 7.293 -10.846 1.00 0.00 O ATOM 728 CB MET A 53 71.844 7.891 -8.114 1.00 0.00 C ATOM 729 CG MET A 53 71.501 8.983 -7.064 1.00 0.00 C ATOM 730 SD MET A 53 71.222 8.228 -5.439 1.00 0.00 S ATOM 731 CE MET A 53 70.189 9.551 -4.758 1.00 0.00 C ATOM 0 H MET A 53 72.858 9.596 -10.013 1.00 0.00 H new ATOM 0 HA MET A 53 73.974 7.957 -7.787 1.00 0.00 H new ATOM 0 HB2 MET A 53 71.147 7.951 -8.950 1.00 0.00 H new ATOM 0 HB3 MET A 53 71.726 6.902 -7.671 1.00 0.00 H new ATOM 0 HG2 MET A 53 72.315 9.706 -7.002 1.00 0.00 H new ATOM 0 HG3 MET A 53 70.611 9.530 -7.376 1.00 0.00 H new ATOM 0 HE1 MET A 53 69.893 9.295 -3.741 1.00 0.00 H new ATOM 0 HE2 MET A 53 70.752 10.484 -4.748 1.00 0.00 H new ATOM 0 HE3 MET A 53 69.299 9.672 -5.375 1.00 0.00 H new ATOM 741 N VAL A 54 73.683 5.729 -9.219 1.00 0.00 N ATOM 742 CA VAL A 54 73.986 4.608 -10.125 1.00 0.00 C ATOM 743 C VAL A 54 72.945 3.498 -9.932 1.00 0.00 C ATOM 744 O VAL A 54 72.289 3.430 -8.892 1.00 0.00 O ATOM 745 CB VAL A 54 75.403 4.069 -9.826 1.00 0.00 C ATOM 746 CG1 VAL A 54 76.477 5.017 -10.403 1.00 0.00 C ATOM 747 CG2 VAL A 54 75.585 3.948 -8.306 1.00 0.00 C ATOM 0 H VAL A 54 73.548 5.459 -8.245 1.00 0.00 H new ATOM 0 HA VAL A 54 73.950 4.952 -11.159 1.00 0.00 H new ATOM 0 HB VAL A 54 75.517 3.091 -10.294 1.00 0.00 H new ATOM 0 HG11 VAL A 54 77.468 4.621 -10.183 1.00 0.00 H new ATOM 0 HG12 VAL A 54 76.350 5.097 -11.483 1.00 0.00 H new ATOM 0 HG13 VAL A 54 76.372 6.004 -9.952 1.00 0.00 H new ATOM 0 HG21 VAL A 54 76.583 3.568 -8.088 1.00 0.00 H new ATOM 0 HG22 VAL A 54 75.461 4.928 -7.846 1.00 0.00 H new ATOM 0 HG23 VAL A 54 74.840 3.262 -7.904 1.00 0.00 H new ATOM 757 N ARG A 55 72.763 2.660 -10.957 1.00 0.00 N ATOM 758 CA ARG A 55 71.756 1.592 -10.904 1.00 0.00 C ATOM 759 C ARG A 55 72.349 0.290 -10.338 1.00 0.00 C ATOM 760 O ARG A 55 73.439 -0.122 -10.728 1.00 0.00 O ATOM 761 CB ARG A 55 71.220 1.295 -12.326 1.00 0.00 C ATOM 762 CG ARG A 55 69.719 0.945 -12.276 1.00 0.00 C ATOM 763 CD ARG A 55 69.278 0.211 -13.569 1.00 0.00 C ATOM 764 NE ARG A 55 70.337 0.224 -14.579 1.00 0.00 N ATOM 765 CZ ARG A 55 70.620 1.316 -15.284 1.00 0.00 C ATOM 766 NH1 ARG A 55 69.940 2.414 -15.100 1.00 0.00 N ATOM 767 NH2 ARG A 55 71.584 1.285 -16.162 1.00 0.00 N1+ ATOM 0 H ARG A 55 73.294 2.698 -11.827 1.00 0.00 H new ATOM 0 HA ARG A 55 70.952 1.937 -10.254 1.00 0.00 H new ATOM 0 HB2 ARG A 55 71.376 2.162 -12.968 1.00 0.00 H new ATOM 0 HB3 ARG A 55 71.778 0.468 -12.766 1.00 0.00 H new ATOM 0 HG2 ARG A 55 69.517 0.316 -11.409 1.00 0.00 H new ATOM 0 HG3 ARG A 55 69.133 1.856 -12.152 1.00 0.00 H new ATOM 0 HD2 ARG A 55 69.012 -0.819 -13.332 1.00 0.00 H new ATOM 0 HD3 ARG A 55 68.383 0.686 -13.972 1.00 0.00 H new ATOM 0 HE ARG A 55 70.873 -0.628 -14.747 1.00 0.00 H new ATOM 0 HH11 ARG A 55 69.187 2.438 -14.413 1.00 0.00 H new ATOM 0 HH12 ARG A 55 70.162 3.248 -15.644 1.00 0.00 H new ATOM 0 HH21 ARG A 55 72.116 0.427 -16.305 1.00 0.00 H new ATOM 0 HH22 ARG A 55 71.806 2.119 -16.706 1.00 0.00 H new ATOM 781 N HIS A 56 71.603 -0.386 -9.466 1.00 0.00 N ATOM 782 CA HIS A 56 72.049 -1.673 -8.931 1.00 0.00 C ATOM 783 C HIS A 56 70.840 -2.504 -8.502 1.00 0.00 C ATOM 784 O HIS A 56 70.066 -2.099 -7.636 1.00 0.00 O ATOM 785 CB HIS A 56 72.993 -1.466 -7.743 1.00 0.00 C ATOM 786 CG HIS A 56 73.601 -2.785 -7.335 1.00 0.00 C ATOM 787 ND1 HIS A 56 74.836 -3.209 -7.804 1.00 0.00 N ATOM 788 CD2 HIS A 56 73.163 -3.774 -6.489 1.00 0.00 C ATOM 789 CE1 HIS A 56 75.096 -4.404 -7.240 1.00 0.00 C ATOM 790 NE2 HIS A 56 74.108 -4.794 -6.430 1.00 0.00 N ATOM 0 H HIS A 56 70.698 -0.070 -9.118 1.00 0.00 H new ATOM 0 HA HIS A 56 72.591 -2.206 -9.712 1.00 0.00 H new ATOM 0 HB2 HIS A 56 73.779 -0.760 -8.011 1.00 0.00 H new ATOM 0 HB3 HIS A 56 72.447 -1.032 -6.905 1.00 0.00 H new ATOM 0 HD2 HIS A 56 72.227 -3.762 -5.951 1.00 0.00 H new ATOM 0 HE1 HIS A 56 75.994 -4.977 -7.421 1.00 0.00 H new ATOM 0 HE2 HIS A 56 74.057 -5.655 -5.885 1.00 0.00 H new ATOM 798 N GLU A 57 70.710 -3.683 -9.101 1.00 0.00 N ATOM 799 CA GLU A 57 69.611 -4.591 -8.772 1.00 0.00 C ATOM 800 C GLU A 57 68.257 -3.864 -8.819 1.00 0.00 C ATOM 801 O GLU A 57 67.384 -4.115 -7.988 1.00 0.00 O ATOM 802 CB GLU A 57 69.834 -5.177 -7.367 1.00 0.00 C ATOM 803 CG GLU A 57 69.049 -6.500 -7.197 1.00 0.00 C ATOM 804 CD GLU A 57 68.544 -6.645 -5.761 1.00 0.00 C ATOM 805 OE1 GLU A 57 69.292 -6.319 -4.855 1.00 0.00 O ATOM 806 OE2 GLU A 57 67.414 -7.072 -5.594 1.00 0.00 O1- ATOM 0 H GLU A 57 71.348 -4.034 -9.815 1.00 0.00 H new ATOM 0 HA GLU A 57 69.594 -5.392 -9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 57 70.897 -5.356 -7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 57 69.514 -4.458 -6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 57 68.207 -6.521 -7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 57 69.690 -7.345 -7.450 1.00 0.00 H new ATOM 813 N ASN A 58 68.108 -2.940 -9.767 1.00 0.00 N ATOM 814 CA ASN A 58 66.872 -2.161 -9.891 1.00 0.00 C ATOM 815 C ASN A 58 66.652 -1.302 -8.650 1.00 0.00 C ATOM 816 O ASN A 58 65.668 -0.568 -8.557 1.00 0.00 O ATOM 817 CB ASN A 58 65.665 -3.080 -10.096 1.00 0.00 C ATOM 818 CG ASN A 58 65.973 -4.114 -11.171 1.00 0.00 C ATOM 819 OD1 ASN A 58 65.574 -3.952 -12.325 1.00 0.00 O ATOM 820 ND2 ASN A 58 66.666 -5.173 -10.860 1.00 0.00 N ATOM 0 H ASN A 58 68.822 -2.712 -10.458 1.00 0.00 H new ATOM 0 HA ASN A 58 66.974 -1.513 -10.762 1.00 0.00 H new ATOM 0 HB2 ASN A 58 65.415 -3.580 -9.160 1.00 0.00 H new ATOM 0 HB3 ASN A 58 64.794 -2.491 -10.385 1.00 0.00 H new ATOM 0 HD21 ASN A 58 66.879 -5.870 -11.573 1.00 0.00 H new ATOM 0 HD22 ASN A 58 66.995 -5.304 -9.904 1.00 0.00 H new ATOM 827 N ARG A 59 67.589 -1.379 -7.708 1.00 0.00 N ATOM 828 CA ARG A 59 67.519 -0.574 -6.489 1.00 0.00 C ATOM 829 C ARG A 59 68.403 0.649 -6.669 1.00 0.00 C ATOM 830 O ARG A 59 69.518 0.541 -7.181 1.00 0.00 O ATOM 831 CB ARG A 59 67.987 -1.410 -5.286 1.00 0.00 C ATOM 832 CG ARG A 59 67.864 -0.589 -3.989 1.00 0.00 C ATOM 833 CD ARG A 59 67.748 -1.528 -2.780 1.00 0.00 C ATOM 834 NE ARG A 59 68.932 -2.372 -2.647 1.00 0.00 N ATOM 835 CZ ARG A 59 68.939 -3.404 -1.805 1.00 0.00 C ATOM 836 NH1 ARG A 59 67.875 -3.672 -1.095 1.00 0.00 N ATOM 837 NH2 ARG A 59 70.002 -4.152 -1.688 1.00 0.00 N1+ ATOM 0 H ARG A 59 68.405 -1.989 -7.764 1.00 0.00 H new ATOM 0 HA ARG A 59 66.493 -0.256 -6.303 1.00 0.00 H new ATOM 0 HB2 ARG A 59 67.388 -2.317 -5.209 1.00 0.00 H new ATOM 0 HB3 ARG A 59 69.021 -1.722 -5.431 1.00 0.00 H new ATOM 0 HG2 ARG A 59 68.734 0.058 -3.875 1.00 0.00 H new ATOM 0 HG3 ARG A 59 66.989 0.059 -4.041 1.00 0.00 H new ATOM 0 HD2 ARG A 59 67.614 -0.940 -1.872 1.00 0.00 H new ATOM 0 HD3 ARG A 59 66.863 -2.155 -2.887 1.00 0.00 H new ATOM 0 HE ARG A 59 69.762 -2.169 -3.204 1.00 0.00 H new ATOM 0 HH11 ARG A 59 67.041 -3.091 -1.186 1.00 0.00 H new ATOM 0 HH12 ARG A 59 67.878 -4.462 -0.450 1.00 0.00 H new ATOM 0 HH21 ARG A 59 70.833 -3.948 -2.243 1.00 0.00 H new ATOM 0 HH22 ARG A 59 70.002 -4.941 -1.042 1.00 0.00 H new ATOM 851 N CYS A 60 67.889 1.821 -6.315 1.00 0.00 N ATOM 852 CA CYS A 60 68.636 3.057 -6.520 1.00 0.00 C ATOM 853 C CYS A 60 69.579 3.320 -5.351 1.00 0.00 C ATOM 854 O CYS A 60 69.144 3.613 -4.237 1.00 0.00 O ATOM 855 CB CYS A 60 67.652 4.228 -6.678 1.00 0.00 C ATOM 856 SG CYS A 60 67.205 4.430 -8.422 1.00 0.00 S ATOM 0 H CYS A 60 66.970 1.942 -5.890 1.00 0.00 H new ATOM 0 HA CYS A 60 69.236 2.960 -7.425 1.00 0.00 H new ATOM 0 HB2 CYS A 60 66.757 4.045 -6.083 1.00 0.00 H new ATOM 0 HB3 CYS A 60 68.103 5.146 -6.301 1.00 0.00 H new ATOM 861 N VAL A 61 70.879 3.269 -5.638 1.00 0.00 N ATOM 862 CA VAL A 61 71.902 3.560 -4.636 1.00 0.00 C ATOM 863 C VAL A 61 73.007 4.407 -5.240 1.00 0.00 C ATOM 864 O VAL A 61 73.207 4.417 -6.455 1.00 0.00 O ATOM 865 CB VAL A 61 72.525 2.272 -4.067 1.00 0.00 C ATOM 866 CG1 VAL A 61 71.494 1.498 -3.216 1.00 0.00 C ATOM 867 CG2 VAL A 61 73.009 1.378 -5.222 1.00 0.00 C ATOM 0 H VAL A 61 71.249 3.028 -6.558 1.00 0.00 H new ATOM 0 HA VAL A 61 71.412 4.101 -3.827 1.00 0.00 H new ATOM 0 HB VAL A 61 73.368 2.545 -3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 61 71.954 0.591 -2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 61 71.162 2.124 -2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 61 70.638 1.231 -3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 61 73.450 0.467 -4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 61 72.164 1.120 -5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 61 73.756 1.913 -5.808 1.00 0.00 H new ATOM 877 N ALA A 62 73.753 5.081 -4.375 1.00 0.00 N ATOM 878 CA ALA A 62 74.881 5.892 -4.813 1.00 0.00 C ATOM 879 C ALA A 62 76.166 5.073 -4.723 1.00 0.00 C ATOM 880 O ALA A 62 76.204 4.026 -4.079 1.00 0.00 O ATOM 881 CB ALA A 62 74.986 7.151 -3.947 1.00 0.00 C ATOM 0 H ALA A 62 73.598 5.082 -3.367 1.00 0.00 H new ATOM 0 HA ALA A 62 74.729 6.196 -5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 62 75.832 7.752 -4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 62 74.069 7.733 -4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 62 75.132 6.865 -2.905 1.00 0.00 H new ATOM 887 N LEU A 63 77.192 5.528 -5.431 1.00 0.00 N ATOM 888 CA LEU A 63 78.459 4.805 -5.496 1.00 0.00 C ATOM 889 C LEU A 63 78.916 4.420 -4.087 1.00 0.00 C ATOM 890 O LEU A 63 79.469 3.338 -3.884 1.00 0.00 O ATOM 891 CB LEU A 63 79.498 5.703 -6.203 1.00 0.00 C ATOM 892 CG LEU A 63 80.618 4.893 -6.904 1.00 0.00 C ATOM 893 CD1 LEU A 63 81.494 4.152 -5.873 1.00 0.00 C ATOM 894 CD2 LEU A 63 80.022 3.894 -7.928 1.00 0.00 C ATOM 0 H LEU A 63 77.173 6.394 -5.969 1.00 0.00 H new ATOM 0 HA LEU A 63 78.343 3.882 -6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 63 78.991 6.325 -6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 63 79.946 6.376 -5.472 1.00 0.00 H new ATOM 0 HG LEU A 63 81.250 5.599 -7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 63 82.272 3.592 -6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 63 81.955 4.875 -5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 63 80.875 3.465 -5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 63 80.829 3.338 -8.406 1.00 0.00 H new ATOM 0 HD22 LEU A 63 79.357 3.199 -7.414 1.00 0.00 H new ATOM 0 HD23 LEU A 63 79.460 4.441 -8.685 1.00 0.00 H new ATOM 906 N GLU A 64 78.667 5.289 -3.111 1.00 0.00 N ATOM 907 CA GLU A 64 79.038 4.992 -1.729 1.00 0.00 C ATOM 908 C GLU A 64 78.136 3.909 -1.127 1.00 0.00 C ATOM 909 O GLU A 64 78.598 3.071 -0.354 1.00 0.00 O ATOM 910 CB GLU A 64 78.937 6.259 -0.875 1.00 0.00 C ATOM 911 CG GLU A 64 79.398 5.962 0.557 1.00 0.00 C ATOM 912 CD GLU A 64 79.319 7.231 1.397 1.00 0.00 C ATOM 913 OE1 GLU A 64 78.779 8.208 0.906 1.00 0.00 O ATOM 914 OE2 GLU A 64 79.785 7.202 2.524 1.00 0.00 O1- ATOM 0 H GLU A 64 78.216 6.194 -3.247 1.00 0.00 H new ATOM 0 HA GLU A 64 80.065 4.626 -1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 64 79.551 7.049 -1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 64 77.909 6.622 -0.867 1.00 0.00 H new ATOM 0 HG2 GLU A 64 78.773 5.184 0.996 1.00 0.00 H new ATOM 0 HG3 GLU A 64 80.420 5.583 0.549 1.00 0.00 H new ATOM 921 N ARG A 65 76.838 3.965 -1.438 1.00 0.00 N ATOM 922 CA ARG A 65 75.878 3.013 -0.865 1.00 0.00 C ATOM 923 C ARG A 65 75.829 1.707 -1.655 1.00 0.00 C ATOM 924 O ARG A 65 75.003 0.839 -1.377 1.00 0.00 O ATOM 925 CB ARG A 65 74.482 3.639 -0.803 1.00 0.00 C ATOM 926 CG ARG A 65 74.444 4.691 0.312 1.00 0.00 C ATOM 927 CD ARG A 65 73.042 5.302 0.414 1.00 0.00 C ATOM 928 NE ARG A 65 72.841 5.845 1.764 1.00 0.00 N ATOM 929 CZ ARG A 65 72.665 7.145 2.021 1.00 0.00 C ATOM 930 NH1 ARG A 65 72.677 8.037 1.066 1.00 0.00 N ATOM 931 NH2 ARG A 65 72.483 7.525 3.257 1.00 0.00 N1+ ATOM 0 H ARG A 65 76.430 4.649 -2.075 1.00 0.00 H new ATOM 0 HA ARG A 65 76.216 2.778 0.144 1.00 0.00 H new ATOM 0 HB2 ARG A 65 74.235 4.098 -1.760 1.00 0.00 H new ATOM 0 HB3 ARG A 65 73.734 2.868 -0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 65 74.720 4.234 1.263 1.00 0.00 H new ATOM 0 HG3 ARG A 65 75.176 5.473 0.110 1.00 0.00 H new ATOM 0 HD2 ARG A 65 72.923 6.091 -0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 65 72.287 4.545 0.199 1.00 0.00 H new ATOM 0 HE ARG A 65 72.835 5.194 2.549 1.00 0.00 H new ATOM 0 HH11 ARG A 65 72.823 7.747 0.099 1.00 0.00 H new ATOM 0 HH12 ARG A 65 72.540 9.023 1.288 1.00 0.00 H new ATOM 0 HH21 ARG A 65 72.477 6.834 4.007 1.00 0.00 H new ATOM 0 HH22 ARG A 65 72.347 8.513 3.472 1.00 0.00 H new ATOM 945 N CYS A 66 76.744 1.552 -2.599 1.00 0.00 N ATOM 946 CA CYS A 66 76.818 0.315 -3.372 1.00 0.00 C ATOM 947 C CYS A 66 77.475 -0.789 -2.508 1.00 0.00 C ATOM 948 O CYS A 66 78.581 -0.589 -2.001 1.00 0.00 O ATOM 949 CB CYS A 66 77.637 0.555 -4.652 1.00 0.00 C ATOM 950 SG CYS A 66 76.961 -0.425 -6.024 1.00 0.00 S ATOM 0 H CYS A 66 77.439 2.255 -2.849 1.00 0.00 H new ATOM 0 HA CYS A 66 75.815 -0.006 -3.655 1.00 0.00 H new ATOM 0 HB2 CYS A 66 77.620 1.614 -4.910 1.00 0.00 H new ATOM 0 HB3 CYS A 66 78.679 0.285 -4.481 1.00 0.00 H new ATOM 955 N PRO A 67 76.840 -1.931 -2.310 1.00 0.00 N ATOM 956 CA PRO A 67 77.417 -3.031 -1.471 1.00 0.00 C ATOM 957 C PRO A 67 78.475 -3.849 -2.211 1.00 0.00 C ATOM 958 O PRO A 67 78.877 -3.514 -3.327 1.00 0.00 O ATOM 959 CB PRO A 67 76.192 -3.890 -1.143 1.00 0.00 C ATOM 960 CG PRO A 67 75.294 -3.736 -2.329 1.00 0.00 C ATOM 961 CD PRO A 67 75.514 -2.309 -2.849 1.00 0.00 C ATOM 0 HA PRO A 67 77.938 -2.648 -0.593 1.00 0.00 H new ATOM 0 HB2 PRO A 67 76.469 -4.933 -0.988 1.00 0.00 H new ATOM 0 HB3 PRO A 67 75.704 -3.551 -0.229 1.00 0.00 H new ATOM 0 HG2 PRO A 67 75.534 -4.472 -3.097 1.00 0.00 H new ATOM 0 HG3 PRO A 67 74.252 -3.893 -2.051 1.00 0.00 H new ATOM 0 HD2 PRO A 67 75.502 -2.275 -3.938 1.00 0.00 H new ATOM 0 HD3 PRO A 67 74.734 -1.632 -2.500 1.00 0.00 H new ATOM 969 N CYS A 68 78.896 -4.949 -1.581 1.00 0.00 N ATOM 970 CA CYS A 68 79.880 -5.853 -2.174 1.00 0.00 C ATOM 971 C CYS A 68 79.169 -7.083 -2.731 1.00 0.00 C ATOM 972 O CYS A 68 78.279 -7.637 -2.086 1.00 0.00 O ATOM 973 CB CYS A 68 80.910 -6.288 -1.120 1.00 0.00 C ATOM 974 SG CYS A 68 81.352 -4.879 -0.073 1.00 0.00 S ATOM 0 H CYS A 68 78.569 -5.234 -0.658 1.00 0.00 H new ATOM 0 HA CYS A 68 80.399 -5.332 -2.978 1.00 0.00 H new ATOM 0 HB2 CYS A 68 80.500 -7.092 -0.509 1.00 0.00 H new ATOM 0 HB3 CYS A 68 81.801 -6.682 -1.610 1.00 0.00 H new ATOM 979 N PHE A 69 79.554 -7.501 -3.932 1.00 0.00 N ATOM 980 CA PHE A 69 78.931 -8.664 -4.574 1.00 0.00 C ATOM 981 C PHE A 69 79.789 -9.910 -4.366 1.00 0.00 C ATOM 982 O PHE A 69 80.993 -9.896 -4.621 1.00 0.00 O ATOM 983 CB PHE A 69 78.742 -8.396 -6.082 1.00 0.00 C ATOM 984 CG PHE A 69 79.816 -7.456 -6.572 1.00 0.00 C ATOM 985 CD1 PHE A 69 79.648 -6.076 -6.424 1.00 0.00 C ATOM 986 CD2 PHE A 69 80.971 -7.962 -7.177 1.00 0.00 C ATOM 987 CE1 PHE A 69 80.637 -5.198 -6.880 1.00 0.00 C ATOM 988 CE2 PHE A 69 81.962 -7.085 -7.633 1.00 0.00 C ATOM 989 CZ PHE A 69 81.794 -5.702 -7.485 1.00 0.00 C ATOM 0 H PHE A 69 80.290 -7.058 -4.482 1.00 0.00 H new ATOM 0 HA PHE A 69 77.955 -8.834 -4.118 1.00 0.00 H new ATOM 0 HB2 PHE A 69 78.786 -9.334 -6.636 1.00 0.00 H new ATOM 0 HB3 PHE A 69 77.758 -7.965 -6.264 1.00 0.00 H new ATOM 0 HD1 PHE A 69 78.755 -5.688 -5.958 1.00 0.00 H new ATOM 0 HD2 PHE A 69 81.098 -9.028 -7.292 1.00 0.00 H new ATOM 0 HE1 PHE A 69 80.508 -4.132 -6.765 1.00 0.00 H new ATOM 0 HE2 PHE A 69 82.855 -7.474 -8.099 1.00 0.00 H new ATOM 0 HZ PHE A 69 82.558 -5.025 -7.838 1.00 0.00 H new ATOM 999 N HIS A 70 79.151 -10.995 -3.912 1.00 0.00 N ATOM 1000 CA HIS A 70 79.853 -12.262 -3.682 1.00 0.00 C ATOM 1001 C HIS A 70 79.314 -13.355 -4.601 1.00 0.00 C ATOM 1002 O HIS A 70 78.237 -13.897 -4.360 1.00 0.00 O ATOM 1003 CB HIS A 70 79.679 -12.704 -2.219 1.00 0.00 C ATOM 1004 CG HIS A 70 80.786 -13.654 -1.839 1.00 0.00 C ATOM 1005 ND1 HIS A 70 82.080 -13.502 -2.311 1.00 0.00 N ATOM 1006 CD2 HIS A 70 80.810 -14.768 -1.037 1.00 0.00 C ATOM 1007 CE1 HIS A 70 82.822 -14.498 -1.796 1.00 0.00 C ATOM 1008 NE2 HIS A 70 82.097 -15.299 -1.010 1.00 0.00 N ATOM 0 H HIS A 70 78.154 -11.021 -3.698 1.00 0.00 H new ATOM 0 HA HIS A 70 80.910 -12.106 -3.897 1.00 0.00 H new ATOM 0 HB2 HIS A 70 79.692 -11.834 -1.562 1.00 0.00 H new ATOM 0 HB3 HIS A 70 78.711 -13.188 -2.088 1.00 0.00 H new ATOM 0 HD2 HIS A 70 79.960 -15.171 -0.507 1.00 0.00 H new ATOM 0 HE1 HIS A 70 83.875 -14.634 -1.994 1.00 0.00 H new ATOM 0 HE2 HIS A 70 82.417 -16.122 -0.500 1.00 0.00 H new ATOM 1016 N GLN A 71 80.102 -13.693 -5.623 1.00 0.00 N ATOM 1017 CA GLN A 71 79.751 -14.751 -6.583 1.00 0.00 C ATOM 1018 C GLN A 71 78.237 -14.988 -6.675 1.00 0.00 C ATOM 1019 O GLN A 71 77.732 -16.015 -6.225 1.00 0.00 O ATOM 1020 CB GLN A 71 80.486 -16.075 -6.240 1.00 0.00 C ATOM 1021 CG GLN A 71 80.611 -16.293 -4.718 1.00 0.00 C ATOM 1022 CD GLN A 71 79.301 -16.821 -4.142 1.00 0.00 C ATOM 1023 OE1 GLN A 71 78.791 -16.284 -3.159 1.00 0.00 O ATOM 1024 NE2 GLN A 71 78.728 -17.855 -4.695 1.00 0.00 N ATOM 0 H GLN A 71 80.999 -13.245 -5.812 1.00 0.00 H new ATOM 0 HA GLN A 71 80.081 -14.404 -7.562 1.00 0.00 H new ATOM 0 HB2 GLN A 71 79.947 -16.913 -6.683 1.00 0.00 H new ATOM 0 HB3 GLN A 71 81.480 -16.063 -6.687 1.00 0.00 H new ATOM 0 HG2 GLN A 71 81.416 -16.998 -4.511 1.00 0.00 H new ATOM 0 HG3 GLN A 71 80.876 -15.355 -4.231 1.00 0.00 H new ATOM 0 HE21 GLN A 71 79.153 -18.298 -5.510 1.00 0.00 H new ATOM 0 HE22 GLN A 71 77.856 -18.220 -4.313 1.00 0.00 H new ATOM 1033 N GLY A 72 77.535 -14.056 -7.316 1.00 0.00 N ATOM 1034 CA GLY A 72 76.092 -14.188 -7.525 1.00 0.00 C ATOM 1035 C GLY A 72 75.305 -13.947 -6.240 1.00 0.00 C ATOM 1036 O GLY A 72 74.132 -13.570 -6.288 1.00 0.00 O ATOM 0 H GLY A 72 77.940 -13.202 -7.700 1.00 0.00 H new ATOM 0 HA2 GLY A 72 75.769 -13.478 -8.287 1.00 0.00 H new ATOM 0 HA3 GLY A 72 75.870 -15.185 -7.905 1.00 0.00 H new ATOM 1040 N LYS A 73 75.947 -14.156 -5.092 1.00 0.00 N ATOM 1041 CA LYS A 73 75.285 -13.948 -3.800 1.00 0.00 C ATOM 1042 C LYS A 73 75.653 -12.580 -3.226 1.00 0.00 C ATOM 1043 O LYS A 73 76.813 -12.171 -3.263 1.00 0.00 O ATOM 1044 CB LYS A 73 75.693 -15.053 -2.807 1.00 0.00 C ATOM 1045 CG LYS A 73 75.195 -16.437 -3.308 1.00 0.00 C ATOM 1046 CD LYS A 73 74.994 -17.441 -2.125 1.00 0.00 C ATOM 1047 CE LYS A 73 76.159 -18.448 -2.008 1.00 0.00 C ATOM 1048 NZ LYS A 73 76.419 -18.715 -0.564 1.00 0.00 N1+ ATOM 0 H LYS A 73 76.916 -14.467 -5.027 1.00 0.00 H new ATOM 0 HA LYS A 73 74.207 -13.988 -3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 73 76.777 -15.068 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 73 75.273 -14.841 -1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 73 74.254 -16.313 -3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 73 75.914 -16.848 -4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 73 74.901 -16.886 -1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 73 74.060 -17.984 -2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 73 75.910 -19.375 -2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 73 77.054 -18.048 -2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 77.311 -19.240 -0.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 76.488 -17.813 -0.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 75.639 -19.279 -0.169 1.00 0.00 H new ATOM 1062 N GLU A 74 74.645 -11.871 -2.708 1.00 0.00 N ATOM 1063 CA GLU A 74 74.851 -10.533 -2.138 1.00 0.00 C ATOM 1064 C GLU A 74 74.583 -10.542 -0.631 1.00 0.00 C ATOM 1065 O GLU A 74 73.434 -10.583 -0.189 1.00 0.00 O ATOM 1066 CB GLU A 74 73.905 -9.534 -2.835 1.00 0.00 C ATOM 1067 CG GLU A 74 74.473 -9.098 -4.217 1.00 0.00 C ATOM 1068 CD GLU A 74 75.032 -7.669 -4.170 1.00 0.00 C ATOM 1069 OE1 GLU A 74 74.498 -6.861 -3.427 1.00 0.00 O1- ATOM 1070 OE2 GLU A 74 75.970 -7.399 -4.899 1.00 0.00 O ATOM 0 H GLU A 74 73.680 -12.199 -2.671 1.00 0.00 H new ATOM 0 HA GLU A 74 75.886 -10.233 -2.299 1.00 0.00 H new ATOM 0 HB2 GLU A 74 72.924 -9.990 -2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 74 73.766 -8.657 -2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 74 75.260 -9.788 -4.522 1.00 0.00 H new ATOM 0 HG3 GLU A 74 73.687 -9.158 -4.970 1.00 0.00 H new ATOM 1077 N TYR A 75 75.664 -10.483 0.146 1.00 0.00 N ATOM 1078 CA TYR A 75 75.567 -10.454 1.606 1.00 0.00 C ATOM 1079 C TYR A 75 75.442 -9.017 2.096 1.00 0.00 C ATOM 1080 O TYR A 75 76.054 -8.109 1.535 1.00 0.00 O ATOM 1081 CB TYR A 75 76.812 -11.092 2.224 1.00 0.00 C ATOM 1082 CG TYR A 75 76.791 -12.579 1.980 1.00 0.00 C ATOM 1083 CD1 TYR A 75 77.277 -13.097 0.776 1.00 0.00 C ATOM 1084 CD2 TYR A 75 76.283 -13.439 2.961 1.00 0.00 C ATOM 1085 CE1 TYR A 75 77.257 -14.477 0.551 1.00 0.00 C ATOM 1086 CE2 TYR A 75 76.263 -14.819 2.737 1.00 0.00 C ATOM 1087 CZ TYR A 75 76.750 -15.337 1.532 1.00 0.00 C ATOM 1088 OH TYR A 75 76.730 -16.696 1.309 1.00 0.00 O ATOM 0 H TYR A 75 76.619 -10.454 -0.211 1.00 0.00 H new ATOM 0 HA TYR A 75 74.682 -11.015 1.907 1.00 0.00 H new ATOM 0 HB2 TYR A 75 77.711 -10.655 1.790 1.00 0.00 H new ATOM 0 HB3 TYR A 75 76.844 -10.889 3.294 1.00 0.00 H new ATOM 0 HD1 TYR A 75 77.668 -12.432 0.020 1.00 0.00 H new ATOM 0 HD2 TYR A 75 75.907 -13.037 3.890 1.00 0.00 H new ATOM 0 HE1 TYR A 75 77.632 -14.879 -0.379 1.00 0.00 H new ATOM 0 HE2 TYR A 75 75.872 -15.484 3.493 1.00 0.00 H new ATOM 0 HH TYR A 75 76.348 -17.150 2.089 1.00 0.00 H new ATOM 1098 N ALA A 76 74.644 -8.809 3.139 1.00 0.00 N ATOM 1099 CA ALA A 76 74.452 -7.465 3.678 1.00 0.00 C ATOM 1100 C ALA A 76 75.809 -6.741 3.796 1.00 0.00 C ATOM 1101 O ALA A 76 76.790 -7.347 4.229 1.00 0.00 O ATOM 1102 CB ALA A 76 73.785 -7.553 5.055 1.00 0.00 C ATOM 0 H ALA A 76 74.126 -9.542 3.623 1.00 0.00 H new ATOM 0 HA ALA A 76 73.810 -6.899 3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 76 73.643 -6.549 5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 76 72.818 -8.046 4.960 1.00 0.00 H new ATOM 0 HB3 ALA A 76 74.420 -8.126 5.731 1.00 0.00 H new ATOM 1108 N PRO A 77 75.903 -5.478 3.417 1.00 0.00 N ATOM 1109 CA PRO A 77 77.190 -4.714 3.489 1.00 0.00 C ATOM 1110 C PRO A 77 77.568 -4.329 4.917 1.00 0.00 C ATOM 1111 O PRO A 77 76.725 -4.323 5.815 1.00 0.00 O ATOM 1112 CB PRO A 77 76.915 -3.476 2.629 1.00 0.00 C ATOM 1113 CG PRO A 77 75.448 -3.240 2.771 1.00 0.00 C ATOM 1114 CD PRO A 77 74.811 -4.631 2.890 1.00 0.00 C ATOM 0 HA PRO A 77 78.037 -5.304 3.139 1.00 0.00 H new ATOM 0 HB2 PRO A 77 77.490 -2.617 2.974 1.00 0.00 H new ATOM 0 HB3 PRO A 77 77.191 -3.647 1.588 1.00 0.00 H new ATOM 0 HG2 PRO A 77 75.233 -2.635 3.651 1.00 0.00 H new ATOM 0 HG3 PRO A 77 75.053 -2.701 1.909 1.00 0.00 H new ATOM 0 HD2 PRO A 77 73.953 -4.621 3.562 1.00 0.00 H new ATOM 0 HD3 PRO A 77 74.456 -4.992 1.925 1.00 0.00 H new ATOM 1122 N GLY A 78 78.848 -4.020 5.120 1.00 0.00 N ATOM 1123 CA GLY A 78 79.324 -3.644 6.442 1.00 0.00 C ATOM 1124 C GLY A 78 79.527 -4.878 7.306 1.00 0.00 C ATOM 1125 O GLY A 78 80.026 -4.784 8.427 1.00 0.00 O ATOM 0 H GLY A 78 79.563 -4.023 4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 78 80.262 -3.096 6.355 1.00 0.00 H new ATOM 0 HA3 GLY A 78 78.606 -2.975 6.917 1.00 0.00 H new ATOM 1129 N GLU A 79 79.164 -6.043 6.770 1.00 0.00 N ATOM 1130 CA GLU A 79 79.340 -7.299 7.497 1.00 0.00 C ATOM 1131 C GLU A 79 80.598 -8.003 7.014 1.00 0.00 C ATOM 1132 O GLU A 79 81.337 -7.483 6.179 1.00 0.00 O ATOM 1133 CB GLU A 79 78.124 -8.213 7.296 1.00 0.00 C ATOM 1134 CG GLU A 79 76.881 -7.555 7.903 1.00 0.00 C ATOM 1135 CD GLU A 79 77.047 -7.371 9.409 1.00 0.00 C ATOM 1136 OE1 GLU A 79 76.897 -8.345 10.129 1.00 0.00 O ATOM 1137 OE2 GLU A 79 77.374 -6.268 9.814 1.00 0.00 O1- ATOM 0 H GLU A 79 78.750 -6.143 5.843 1.00 0.00 H new ATOM 0 HA GLU A 79 79.436 -7.075 8.559 1.00 0.00 H new ATOM 0 HB2 GLU A 79 77.967 -8.399 6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 79 78.302 -9.180 7.766 1.00 0.00 H new ATOM 0 HG2 GLU A 79 76.708 -6.588 7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 79 76.003 -8.169 7.702 1.00 0.00 H new ATOM 1144 N THR A 80 80.858 -9.167 7.596 1.00 0.00 N ATOM 1145 CA THR A 80 82.064 -9.930 7.287 1.00 0.00 C ATOM 1146 C THR A 80 81.765 -11.399 7.053 1.00 0.00 C ATOM 1147 O THR A 80 80.746 -11.930 7.492 1.00 0.00 O ATOM 1148 CB THR A 80 83.053 -9.813 8.450 1.00 0.00 C ATOM 1149 OG1 THR A 80 84.119 -10.731 8.253 1.00 0.00 O ATOM 1150 CG2 THR A 80 82.351 -10.120 9.788 1.00 0.00 C ATOM 0 H THR A 80 80.249 -9.606 8.287 1.00 0.00 H new ATOM 0 HA THR A 80 82.487 -9.516 6.371 1.00 0.00 H new ATOM 0 HB THR A 80 83.441 -8.795 8.484 1.00 0.00 H new ATOM 0 HG1 THR A 80 84.818 -10.309 7.711 1.00 0.00 H new ATOM 0 HG21 THR A 80 83.068 -10.032 10.604 1.00 0.00 H new ATOM 0 HG22 THR A 80 81.537 -9.412 9.943 1.00 0.00 H new ATOM 0 HG23 THR A 80 81.950 -11.133 9.765 1.00 0.00 H new ATOM 1158 N VAL A 81 82.713 -12.053 6.392 1.00 0.00 N ATOM 1159 CA VAL A 81 82.641 -13.480 6.109 1.00 0.00 C ATOM 1160 C VAL A 81 83.999 -14.089 6.408 1.00 0.00 C ATOM 1161 O VAL A 81 84.995 -13.368 6.478 1.00 0.00 O ATOM 1162 CB VAL A 81 82.297 -13.709 4.636 1.00 0.00 C ATOM 1163 CG1 VAL A 81 83.390 -13.075 3.758 1.00 0.00 C ATOM 1164 CG2 VAL A 81 82.196 -15.221 4.350 1.00 0.00 C ATOM 0 H VAL A 81 83.557 -11.605 6.036 1.00 0.00 H new ATOM 0 HA VAL A 81 81.868 -13.941 6.724 1.00 0.00 H new ATOM 0 HB VAL A 81 81.337 -13.247 4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 81 83.150 -13.235 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 81 83.443 -12.005 3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 81 84.352 -13.535 3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 81 81.951 -15.377 3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 81 83.150 -15.698 4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 81 81.416 -15.658 4.973 1.00 0.00 H new ATOM 1174 N LYS A 82 84.052 -15.406 6.605 1.00 0.00 N ATOM 1175 CA LYS A 82 85.318 -16.071 6.919 1.00 0.00 C ATOM 1176 C LYS A 82 85.821 -16.852 5.702 1.00 0.00 C ATOM 1177 O LYS A 82 85.141 -17.754 5.213 1.00 0.00 O ATOM 1178 CB LYS A 82 85.107 -17.036 8.115 1.00 0.00 C ATOM 1179 CG LYS A 82 86.252 -16.912 9.154 1.00 0.00 C ATOM 1180 CD LYS A 82 86.453 -18.254 9.884 1.00 0.00 C ATOM 1181 CE LYS A 82 87.106 -18.023 11.252 1.00 0.00 C ATOM 1182 NZ LYS A 82 88.204 -17.023 11.128 1.00 0.00 N1+ ATOM 0 H LYS A 82 83.245 -16.028 6.554 1.00 0.00 H new ATOM 0 HA LYS A 82 86.063 -15.320 7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 82 84.153 -16.819 8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 82 85.054 -18.062 7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 82 87.176 -16.619 8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 82 86.016 -16.129 9.875 1.00 0.00 H new ATOM 0 HD2 LYS A 82 85.493 -18.754 10.012 1.00 0.00 H new ATOM 0 HD3 LYS A 82 87.078 -18.913 9.282 1.00 0.00 H new ATOM 0 HE2 LYS A 82 86.361 -17.671 11.966 1.00 0.00 H new ATOM 0 HE3 LYS A 82 87.500 -18.962 11.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 88.868 -17.136 11.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 88.708 -17.171 10.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 87.803 -16.063 11.146 1.00 0.00 H new ATOM 1196 N ILE A 83 87.034 -16.538 5.251 1.00 0.00 N ATOM 1197 CA ILE A 83 87.647 -17.246 4.129 1.00 0.00 C ATOM 1198 C ILE A 83 88.936 -17.904 4.603 1.00 0.00 C ATOM 1199 O ILE A 83 90.018 -17.330 4.479 1.00 0.00 O ATOM 1200 CB ILE A 83 87.966 -16.256 3.001 1.00 0.00 C ATOM 1201 CG1 ILE A 83 86.661 -15.568 2.500 1.00 0.00 C ATOM 1202 CG2 ILE A 83 88.647 -17.011 1.848 1.00 0.00 C ATOM 1203 CD1 ILE A 83 86.882 -14.055 2.359 1.00 0.00 C ATOM 0 H ILE A 83 87.613 -15.797 5.646 1.00 0.00 H new ATOM 0 HA ILE A 83 86.958 -18.003 3.756 1.00 0.00 H new ATOM 0 HB ILE A 83 88.637 -15.483 3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 83 86.363 -15.991 1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 83 85.848 -15.761 3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 83 88.877 -16.314 1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 83 89.569 -17.468 2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 83 87.978 -17.787 1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 83 85.964 -13.584 2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 83 87.158 -13.636 3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 83 87.682 -13.869 1.642 1.00 0.00 H new ATOM 1215 N GLY A 84 88.812 -19.095 5.173 1.00 0.00 N ATOM 1216 CA GLY A 84 89.973 -19.802 5.696 1.00 0.00 C ATOM 1217 C GLY A 84 90.362 -19.259 7.069 1.00 0.00 C ATOM 1218 O GLY A 84 89.608 -19.392 8.033 1.00 0.00 O ATOM 0 H GLY A 84 87.926 -19.589 5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 84 89.754 -20.867 5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 84 90.811 -19.696 5.007 1.00 0.00 H new ATOM 1222 N CYS A 85 91.537 -18.632 7.150 1.00 0.00 N ATOM 1223 CA CYS A 85 92.020 -18.056 8.410 1.00 0.00 C ATOM 1224 C CYS A 85 91.871 -16.540 8.407 1.00 0.00 C ATOM 1225 O CYS A 85 91.712 -15.922 9.460 1.00 0.00 O ATOM 1226 CB CYS A 85 93.490 -18.427 8.622 1.00 0.00 C ATOM 1227 SG CYS A 85 94.004 -17.982 10.302 1.00 0.00 S ATOM 0 H CYS A 85 92.172 -18.509 6.361 1.00 0.00 H new ATOM 0 HA CYS A 85 91.419 -18.462 9.224 1.00 0.00 H new ATOM 0 HB2 CYS A 85 93.631 -19.496 8.461 1.00 0.00 H new ATOM 0 HB3 CYS A 85 94.113 -17.909 7.893 1.00 0.00 H new ATOM 1232 N ASN A 86 91.905 -15.948 7.219 1.00 0.00 N ATOM 1233 CA ASN A 86 91.757 -14.499 7.085 1.00 0.00 C ATOM 1234 C ASN A 86 90.281 -14.139 6.908 1.00 0.00 C ATOM 1235 O ASN A 86 89.543 -14.827 6.204 1.00 0.00 O ATOM 1236 CB ASN A 86 92.575 -13.998 5.885 1.00 0.00 C ATOM 1237 CG ASN A 86 92.863 -12.503 6.021 1.00 0.00 C ATOM 1238 OD1 ASN A 86 92.801 -11.953 7.120 1.00 0.00 O ATOM 1239 ND2 ASN A 86 93.187 -11.811 4.962 1.00 0.00 N ATOM 0 H ASN A 86 92.033 -16.444 6.337 1.00 0.00 H new ATOM 0 HA ASN A 86 92.129 -14.017 7.989 1.00 0.00 H new ATOM 0 HB2 ASN A 86 93.512 -14.551 5.820 1.00 0.00 H new ATOM 0 HB3 ASN A 86 92.029 -14.187 4.961 1.00 0.00 H new ATOM 0 HD21 ASN A 86 93.389 -10.815 5.046 1.00 0.00 H new ATOM 0 HD22 ASN A 86 93.238 -12.267 4.051 1.00 0.00 H new ATOM 1246 N THR A 87 89.870 -13.042 7.538 1.00 0.00 N ATOM 1247 CA THR A 87 88.493 -12.552 7.450 1.00 0.00 C ATOM 1248 C THR A 87 88.506 -11.067 7.131 1.00 0.00 C ATOM 1249 O THR A 87 89.485 -10.373 7.403 1.00 0.00 O ATOM 1250 CB THR A 87 87.752 -12.781 8.777 1.00 0.00 C ATOM 1251 OG1 THR A 87 86.535 -12.043 8.759 1.00 0.00 O ATOM 1252 CG2 THR A 87 88.602 -12.318 9.986 1.00 0.00 C ATOM 0 H THR A 87 90.478 -12.468 8.122 1.00 0.00 H new ATOM 0 HA THR A 87 87.977 -13.098 6.661 1.00 0.00 H new ATOM 0 HB THR A 87 87.558 -13.848 8.882 1.00 0.00 H new ATOM 0 HG1 THR A 87 85.953 -12.388 8.050 1.00 0.00 H new ATOM 0 HG21 THR A 87 88.049 -12.494 10.908 1.00 0.00 H new ATOM 0 HG22 THR A 87 89.536 -12.879 10.010 1.00 0.00 H new ATOM 0 HG23 THR A 87 88.820 -11.254 9.891 1.00 0.00 H new ATOM 1260 N CYS A 88 87.427 -10.589 6.513 1.00 0.00 N ATOM 1261 CA CYS A 88 87.342 -9.184 6.116 1.00 0.00 C ATOM 1262 C CYS A 88 85.903 -8.679 6.187 1.00 0.00 C ATOM 1263 O CYS A 88 84.959 -9.463 6.272 1.00 0.00 O ATOM 1264 CB CYS A 88 87.903 -9.026 4.699 1.00 0.00 C ATOM 1265 SG CYS A 88 89.465 -9.941 4.579 1.00 0.00 S ATOM 0 H CYS A 88 86.607 -11.148 6.278 1.00 0.00 H new ATOM 0 HA CYS A 88 87.933 -8.584 6.808 1.00 0.00 H new ATOM 0 HB2 CYS A 88 87.189 -9.402 3.967 1.00 0.00 H new ATOM 0 HB3 CYS A 88 88.065 -7.972 4.473 1.00 0.00 H new ATOM 1270 N VAL A 89 85.750 -7.350 6.176 1.00 0.00 N ATOM 1271 CA VAL A 89 84.426 -6.717 6.264 1.00 0.00 C ATOM 1272 C VAL A 89 84.103 -5.986 4.955 1.00 0.00 C ATOM 1273 O VAL A 89 84.921 -5.226 4.435 1.00 0.00 O ATOM 1274 CB VAL A 89 84.377 -5.746 7.498 1.00 0.00 C ATOM 1275 CG1 VAL A 89 85.779 -5.545 8.082 1.00 0.00 C ATOM 1276 CG2 VAL A 89 83.815 -4.364 7.124 1.00 0.00 C ATOM 0 H VAL A 89 86.525 -6.691 6.107 1.00 0.00 H new ATOM 0 HA VAL A 89 83.665 -7.484 6.412 1.00 0.00 H new ATOM 0 HB VAL A 89 83.719 -6.212 8.231 1.00 0.00 H new ATOM 0 HG11 VAL A 89 85.724 -4.869 8.936 1.00 0.00 H new ATOM 0 HG12 VAL A 89 86.180 -6.506 8.405 1.00 0.00 H new ATOM 0 HG13 VAL A 89 86.432 -5.116 7.322 1.00 0.00 H new ATOM 0 HG21 VAL A 89 83.800 -3.726 8.008 1.00 0.00 H new ATOM 0 HG22 VAL A 89 84.445 -3.910 6.359 1.00 0.00 H new ATOM 0 HG23 VAL A 89 82.801 -4.475 6.739 1.00 0.00 H new ATOM 1286 N CYS A 90 82.901 -6.228 4.432 1.00 0.00 N ATOM 1287 CA CYS A 90 82.478 -5.582 3.193 1.00 0.00 C ATOM 1288 C CYS A 90 82.220 -4.097 3.440 1.00 0.00 C ATOM 1289 O CYS A 90 81.213 -3.707 4.032 1.00 0.00 O ATOM 1290 CB CYS A 90 81.223 -6.279 2.628 1.00 0.00 C ATOM 1291 SG CYS A 90 80.251 -5.132 1.604 1.00 0.00 S ATOM 0 H CYS A 90 82.212 -6.859 4.842 1.00 0.00 H new ATOM 0 HA CYS A 90 83.273 -5.672 2.453 1.00 0.00 H new ATOM 0 HB2 CYS A 90 81.519 -7.143 2.033 1.00 0.00 H new ATOM 0 HB3 CYS A 90 80.609 -6.651 3.448 1.00 0.00 H new ATOM 1296 N ARG A 91 83.134 -3.289 2.930 1.00 0.00 N ATOM 1297 CA ARG A 91 83.045 -1.833 3.018 1.00 0.00 C ATOM 1298 C ARG A 91 83.703 -1.221 1.785 1.00 0.00 C ATOM 1299 O ARG A 91 84.820 -1.588 1.418 1.00 0.00 O ATOM 1300 CB ARG A 91 83.741 -1.316 4.306 1.00 0.00 C ATOM 1301 CG ARG A 91 82.710 -1.119 5.427 1.00 0.00 C ATOM 1302 CD ARG A 91 83.411 -0.678 6.732 1.00 0.00 C ATOM 1303 NE ARG A 91 84.733 -0.112 6.455 1.00 0.00 N ATOM 1304 CZ ARG A 91 84.896 1.179 6.176 1.00 0.00 C ATOM 1305 NH1 ARG A 91 83.862 1.972 6.113 1.00 0.00 N ATOM 1306 NH2 ARG A 91 86.094 1.653 5.966 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.964 -3.622 2.440 1.00 0.00 H new ATOM 0 HA ARG A 91 81.996 -1.540 3.061 1.00 0.00 H new ATOM 0 HB2 ARG A 91 84.504 -2.026 4.625 1.00 0.00 H new ATOM 0 HB3 ARG A 91 84.249 -0.374 4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 91 81.978 -0.369 5.129 1.00 0.00 H new ATOM 0 HG3 ARG A 91 82.165 -2.048 5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 91 82.796 0.060 7.247 1.00 0.00 H new ATOM 0 HD3 ARG A 91 83.511 -1.532 7.402 1.00 0.00 H new ATOM 0 HE ARG A 91 85.550 -0.723 6.476 1.00 0.00 H new ATOM 0 HH11 ARG A 91 82.925 1.603 6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 91 83.990 2.961 5.899 1.00 0.00 H new ATOM 0 HH21 ARG A 91 86.903 1.034 6.016 1.00 0.00 H new ATOM 0 HH22 ARG A 91 86.221 2.642 5.752 1.00 0.00 H new ATOM 1320 N ASP A 92 83.014 -0.270 1.171 1.00 0.00 N ATOM 1321 CA ASP A 92 83.532 0.424 0.004 1.00 0.00 C ATOM 1322 C ASP A 92 83.702 -0.514 -1.192 1.00 0.00 C ATOM 1323 O ASP A 92 84.709 -0.456 -1.898 1.00 0.00 O ATOM 1324 CB ASP A 92 84.858 1.110 0.341 1.00 0.00 C ATOM 1325 CG ASP A 92 84.716 1.891 1.645 1.00 0.00 C ATOM 1326 OD1 ASP A 92 83.794 2.685 1.741 1.00 0.00 O1- ATOM 1327 OD2 ASP A 92 85.527 1.677 2.530 1.00 0.00 O ATOM 0 H ASP A 92 82.088 0.039 1.466 1.00 0.00 H new ATOM 0 HA ASP A 92 82.801 1.181 -0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 92 85.650 0.367 0.435 1.00 0.00 H new ATOM 0 HB3 ASP A 92 85.147 1.782 -0.467 1.00 0.00 H new ATOM 1332 N ARG A 93 82.668 -1.315 -1.454 1.00 0.00 N ATOM 1333 CA ARG A 93 82.635 -2.194 -2.628 1.00 0.00 C ATOM 1334 C ARG A 93 83.808 -3.178 -2.697 1.00 0.00 C ATOM 1335 O ARG A 93 83.774 -4.109 -3.503 1.00 0.00 O ATOM 1336 CB ARG A 93 82.663 -1.329 -3.887 1.00 0.00 C ATOM 1337 CG ARG A 93 81.341 -0.566 -4.041 1.00 0.00 C ATOM 1338 CD ARG A 93 81.570 0.655 -4.942 1.00 0.00 C ATOM 1339 NE ARG A 93 82.609 0.359 -5.935 1.00 0.00 N ATOM 1340 CZ ARG A 93 82.415 0.467 -7.252 1.00 0.00 C ATOM 1341 NH1 ARG A 93 81.254 0.816 -7.740 1.00 0.00 N ATOM 1342 NH2 ARG A 93 83.405 0.216 -8.063 1.00 0.00 N1+ ATOM 0 H ARG A 93 81.837 -1.374 -0.866 1.00 0.00 H new ATOM 0 HA ARG A 93 81.723 -2.786 -2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 93 83.493 -0.624 -3.833 1.00 0.00 H new ATOM 0 HB3 ARG A 93 82.833 -1.955 -4.763 1.00 0.00 H new ATOM 0 HG2 ARG A 93 80.580 -1.215 -4.473 1.00 0.00 H new ATOM 0 HG3 ARG A 93 80.973 -0.250 -3.065 1.00 0.00 H new ATOM 0 HD2 ARG A 93 80.641 0.925 -5.445 1.00 0.00 H new ATOM 0 HD3 ARG A 93 81.867 1.512 -4.338 1.00 0.00 H new ATOM 0 HE ARG A 93 83.525 0.056 -5.603 1.00 0.00 H new ATOM 0 HH11 ARG A 93 80.475 1.012 -7.112 1.00 0.00 H new ATOM 0 HH12 ARG A 93 81.127 0.893 -8.749 1.00 0.00 H new ATOM 0 HH21 ARG A 93 84.313 -0.059 -7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 93 83.271 0.295 -9.071 1.00 0.00 H new ATOM 1356 N LYS A 94 84.832 -2.991 -1.863 1.00 0.00 N ATOM 1357 CA LYS A 94 85.992 -3.902 -1.869 1.00 0.00 C ATOM 1358 C LYS A 94 86.152 -4.536 -0.508 1.00 0.00 C ATOM 1359 O LYS A 94 85.578 -4.066 0.475 1.00 0.00 O ATOM 1360 CB LYS A 94 87.283 -3.157 -2.262 1.00 0.00 C ATOM 1361 CG LYS A 94 87.711 -2.117 -1.172 1.00 0.00 C ATOM 1362 CD LYS A 94 89.090 -2.473 -0.542 1.00 0.00 C ATOM 1363 CE LYS A 94 89.850 -1.198 -0.140 1.00 0.00 C ATOM 1364 NZ LYS A 94 89.110 -0.477 0.934 1.00 0.00 N1+ ATOM 0 H LYS A 94 84.889 -2.232 -1.183 1.00 0.00 H new ATOM 0 HA LYS A 94 85.813 -4.679 -2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 94 88.087 -3.878 -2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 94 87.132 -2.646 -3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 94 87.761 -1.123 -1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 94 86.953 -2.078 -0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 94 88.943 -3.106 0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 94 89.683 -3.047 -1.254 1.00 0.00 H new ATOM 0 HE2 LYS A 94 90.850 -1.456 0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 94 89.971 -0.549 -1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 89.687 0.316 1.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 88.214 -0.112 0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 88.913 -1.131 1.718 1.00 0.00 H new ATOM 1378 N TRP A 95 86.930 -5.615 -0.443 1.00 0.00 N ATOM 1379 CA TRP A 95 87.141 -6.290 0.819 1.00 0.00 C ATOM 1380 C TRP A 95 88.072 -5.456 1.669 1.00 0.00 C ATOM 1381 O TRP A 95 89.193 -5.151 1.263 1.00 0.00 O ATOM 1382 CB TRP A 95 87.718 -7.705 0.585 1.00 0.00 C ATOM 1383 CG TRP A 95 86.606 -8.702 0.471 1.00 0.00 C ATOM 1384 CD1 TRP A 95 86.427 -9.550 -0.568 1.00 0.00 C ATOM 1385 CD2 TRP A 95 85.517 -8.967 1.409 1.00 0.00 C ATOM 1386 NE1 TRP A 95 85.301 -10.315 -0.334 1.00 0.00 N ATOM 1387 CE2 TRP A 95 84.704 -9.994 0.869 1.00 0.00 C ATOM 1388 CE3 TRP A 95 85.155 -8.425 2.662 1.00 0.00 C ATOM 1389 CZ2 TRP A 95 83.575 -10.464 1.540 1.00 0.00 C ATOM 1390 CZ3 TRP A 95 84.018 -8.901 3.337 1.00 0.00 C ATOM 1391 CH2 TRP A 95 83.230 -9.916 2.777 1.00 0.00 C ATOM 0 H TRP A 95 87.414 -6.029 -1.240 1.00 0.00 H new ATOM 0 HA TRP A 95 86.190 -6.406 1.339 1.00 0.00 H new ATOM 0 HB2 TRP A 95 88.320 -7.715 -0.323 1.00 0.00 H new ATOM 0 HB3 TRP A 95 88.378 -7.978 1.408 1.00 0.00 H new ATOM 0 HD1 TRP A 95 87.062 -9.618 -1.439 1.00 0.00 H new ATOM 0 HE1 TRP A 95 84.953 -11.030 -0.972 1.00 0.00 H new ATOM 0 HE3 TRP A 95 85.754 -7.642 3.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 82.971 -11.247 1.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 83.749 -8.481 4.295 1.00 0.00 H new ATOM 0 HH2 TRP A 95 82.357 -10.274 3.302 1.00 0.00 H new ATOM 1402 N ASN A 96 87.632 -5.152 2.879 1.00 0.00 N ATOM 1403 CA ASN A 96 88.457 -4.404 3.819 1.00 0.00 C ATOM 1404 C ASN A 96 88.897 -5.352 4.910 1.00 0.00 C ATOM 1405 O ASN A 96 88.167 -5.597 5.871 1.00 0.00 O ATOM 1406 CB ASN A 96 87.663 -3.229 4.407 1.00 0.00 C ATOM 1407 CG ASN A 96 88.609 -2.151 4.938 1.00 0.00 C ATOM 1408 OD1 ASN A 96 88.194 -1.013 5.156 1.00 0.00 O ATOM 1409 ND2 ASN A 96 89.862 -2.444 5.160 1.00 0.00 N ATOM 0 H ASN A 96 86.711 -5.410 3.235 1.00 0.00 H new ATOM 0 HA ASN A 96 89.329 -3.991 3.312 1.00 0.00 H new ATOM 0 HB2 ASN A 96 87.012 -2.805 3.643 1.00 0.00 H new ATOM 0 HB3 ASN A 96 87.020 -3.584 5.212 1.00 0.00 H new ATOM 0 HD21 ASN A 96 90.498 -1.729 5.514 1.00 0.00 H new ATOM 0 HD22 ASN A 96 90.205 -3.387 4.979 1.00 0.00 H new ATOM 1416 N CYS A 97 90.073 -5.924 4.725 1.00 0.00 N ATOM 1417 CA CYS A 97 90.589 -6.893 5.667 1.00 0.00 C ATOM 1418 C CYS A 97 91.205 -6.179 6.852 1.00 0.00 C ATOM 1419 O CYS A 97 91.683 -5.051 6.727 1.00 0.00 O ATOM 1420 CB CYS A 97 91.595 -7.804 4.968 1.00 0.00 C ATOM 1421 SG CYS A 97 90.743 -8.687 3.633 1.00 0.00 S ATOM 0 H CYS A 97 90.686 -5.733 3.932 1.00 0.00 H new ATOM 0 HA CYS A 97 89.777 -7.517 6.041 1.00 0.00 H new ATOM 0 HB2 CYS A 97 92.422 -7.218 4.567 1.00 0.00 H new ATOM 0 HB3 CYS A 97 92.022 -8.512 5.678 1.00 0.00 H new ATOM 1426 N THR A 98 91.030 -6.762 8.025 1.00 0.00 N ATOM 1427 CA THR A 98 91.408 -6.087 9.252 1.00 0.00 C ATOM 1428 C THR A 98 92.814 -5.532 9.219 1.00 0.00 C ATOM 1429 O THR A 98 92.985 -4.321 9.322 1.00 0.00 O ATOM 1430 CB THR A 98 91.290 -7.101 10.395 1.00 0.00 C ATOM 1431 OG1 THR A 98 89.937 -7.520 10.510 1.00 0.00 O ATOM 1432 CG2 THR A 98 91.737 -6.463 11.710 1.00 0.00 C ATOM 0 H THR A 98 90.632 -7.693 8.153 1.00 0.00 H new ATOM 0 HA THR A 98 90.743 -5.234 9.389 1.00 0.00 H new ATOM 0 HB THR A 98 91.927 -7.959 10.181 1.00 0.00 H new ATOM 0 HG1 THR A 98 89.857 -8.170 11.239 1.00 0.00 H new ATOM 0 HG21 THR A 98 91.649 -7.191 12.516 1.00 0.00 H new ATOM 0 HG22 THR A 98 92.775 -6.140 11.624 1.00 0.00 H new ATOM 0 HG23 THR A 98 91.106 -5.602 11.929 1.00 0.00 H new ATOM 1440 N ASP A 99 93.801 -6.388 9.034 1.00 0.00 N ATOM 1441 CA ASP A 99 95.209 -5.969 8.946 1.00 0.00 C ATOM 1442 C ASP A 99 96.106 -7.128 9.354 1.00 0.00 C ATOM 1443 O ASP A 99 97.214 -7.285 8.843 1.00 0.00 O ATOM 1444 CB ASP A 99 95.490 -4.750 9.853 1.00 0.00 C ATOM 1445 CG ASP A 99 96.981 -4.630 10.170 1.00 0.00 C ATOM 1446 OD1 ASP A 99 97.680 -4.004 9.391 1.00 0.00 O ATOM 1447 OD2 ASP A 99 97.395 -5.168 11.181 1.00 0.00 O1- ATOM 0 H ASP A 99 93.662 -7.394 8.939 1.00 0.00 H new ATOM 0 HA ASP A 99 95.418 -5.679 7.916 1.00 0.00 H new ATOM 0 HB2 ASP A 99 95.145 -3.840 9.361 1.00 0.00 H new ATOM 0 HB3 ASP A 99 94.925 -4.845 10.780 1.00 0.00 H new ATOM 1452 N HIS A 100 95.611 -7.935 10.282 1.00 0.00 N ATOM 1453 CA HIS A 100 96.369 -9.075 10.766 1.00 0.00 C ATOM 1454 C HIS A 100 96.461 -10.140 9.671 1.00 0.00 C ATOM 1455 O HIS A 100 95.705 -10.106 8.700 1.00 0.00 O ATOM 1456 CB HIS A 100 95.706 -9.629 12.055 1.00 0.00 C ATOM 1457 CG HIS A 100 94.815 -10.815 11.759 1.00 0.00 C ATOM 1458 ND1 HIS A 100 94.111 -10.940 10.571 1.00 0.00 N ATOM 1459 CD2 HIS A 100 94.535 -11.948 12.482 1.00 0.00 C ATOM 1460 CE1 HIS A 100 93.453 -12.114 10.612 1.00 0.00 C ATOM 1461 NE2 HIS A 100 93.678 -12.768 11.755 1.00 0.00 N ATOM 0 H HIS A 100 94.693 -7.821 10.711 1.00 0.00 H new ATOM 0 HA HIS A 100 97.385 -8.769 11.015 1.00 0.00 H new ATOM 0 HB2 HIS A 100 96.479 -9.923 12.765 1.00 0.00 H new ATOM 0 HB3 HIS A 100 95.120 -8.842 12.530 1.00 0.00 H new ATOM 0 HD1 HIS A 100 94.095 -10.266 9.806 1.00 0.00 H new ATOM 0 HD2 HIS A 100 94.921 -12.169 13.466 1.00 0.00 H new ATOM 0 HE1 HIS A 100 92.820 -12.482 9.818 1.00 0.00 H new ATOM 1469 N VAL A 101 97.379 -11.084 9.838 1.00 0.00 N ATOM 1470 CA VAL A 101 97.554 -12.169 8.871 1.00 0.00 C ATOM 1471 C VAL A 101 97.722 -13.506 9.593 1.00 0.00 C ATOM 1472 O VAL A 101 97.978 -13.546 10.797 1.00 0.00 O ATOM 1473 CB VAL A 101 98.779 -11.887 7.979 1.00 0.00 C ATOM 1474 CG1 VAL A 101 98.378 -10.987 6.796 1.00 0.00 C ATOM 1475 CG2 VAL A 101 99.868 -11.183 8.812 1.00 0.00 C ATOM 0 H VAL A 101 98.016 -11.123 10.634 1.00 0.00 H new ATOM 0 HA VAL A 101 96.665 -12.225 8.243 1.00 0.00 H new ATOM 0 HB VAL A 101 99.163 -12.831 7.593 1.00 0.00 H new ATOM 0 HG11 VAL A 101 99.251 -10.795 6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 101 97.612 -11.486 6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 101 97.987 -10.042 7.174 1.00 0.00 H new ATOM 0 HG21 VAL A 101 100.735 -10.983 8.183 1.00 0.00 H new ATOM 0 HG22 VAL A 101 99.477 -10.243 9.201 1.00 0.00 H new ATOM 0 HG23 VAL A 101 100.163 -11.825 9.642 1.00 0.00 H new ATOM 1485 N CYS A 102 97.566 -14.597 8.842 1.00 0.00 N ATOM 1486 CA CYS A 102 97.697 -15.950 9.394 1.00 0.00 C ATOM 1487 C CYS A 102 98.944 -16.635 8.834 1.00 0.00 C ATOM 1488 O CYS A 102 99.280 -17.751 9.229 1.00 0.00 O ATOM 1489 CB CYS A 102 96.459 -16.774 9.025 1.00 0.00 C ATOM 1490 SG CYS A 102 95.052 -16.272 10.051 1.00 0.00 S ATOM 0 H CYS A 102 97.348 -14.572 7.846 1.00 0.00 H new ATOM 0 HA CYS A 102 97.787 -15.880 10.478 1.00 0.00 H new ATOM 0 HB2 CYS A 102 96.219 -16.634 7.971 1.00 0.00 H new ATOM 0 HB3 CYS A 102 96.663 -17.835 9.167 1.00 0.00 H new ATOM 1495 N ASP A 103 99.621 -15.960 7.910 1.00 0.00 N ATOM 1496 CA ASP A 103 100.827 -16.520 7.302 1.00 0.00 C ATOM 1497 C ASP A 103 101.978 -16.503 8.309 1.00 0.00 C ATOM 1498 O ASP A 103 102.544 -15.443 8.516 1.00 0.00 O ATOM 1499 CB ASP A 103 101.209 -15.727 6.030 1.00 0.00 C ATOM 1500 CG ASP A 103 100.647 -14.312 6.100 1.00 0.00 C ATOM 1501 OD1 ASP A 103 99.528 -14.119 5.653 1.00 0.00 O1- ATOM 1502 OD2 ASP A 103 101.343 -13.442 6.596 1.00 0.00 O ATOM 1503 OXT ASP A 103 102.277 -17.554 8.853 1.00 0.00 O ATOM 0 H ASP A 103 99.361 -15.035 7.568 1.00 0.00 H new ATOM 0 HA ASP A 103 100.628 -17.553 7.015 1.00 0.00 H new ATOM 0 HB2 ASP A 103 102.294 -15.690 5.928 1.00 0.00 H new ATOM 0 HB3 ASP A 103 100.823 -16.236 5.147 1.00 0.00 H new