USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 396 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 33 ASN : amide:sc= -0.82 K(o=-1.2,f=-5.7!) USER MOD Set 1.2: A 36 ASN : amide:sc= -0.34 X(o=-1.2,f=-0.82) USER MOD Set 2.1: A 13 LYS NZ :NH3+ 170:sc= 0 (180deg=0) USER MOD Set 2.2: A 17 THR OG1 : rot 113:sc= -1.37! USER MOD Set 2.3: A 34 LYS NZ :NH3+ 169:sc= 0.422 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ -161:sc= -1.95! (180deg=-2.94!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.0971 USER MOD Single : A 20 TYR OH : rot 130:sc= -1.14 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.36! C(o=-1.4!,f=-2.4!) USER MOD Single : A 29 LYS NZ :NH3+ -153:sc= -0.129 (180deg=-0.894) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.358 USER MOD Single : A 31 TYR OH : rot 111:sc= -9.28! USER MOD Single : A 39 ASN : amide:sc= -10.1! C(o=-10!,f=-17!) USER MOD Single : A 44 SER OG : rot -90:sc= -0.176 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0.05) USER MOD Single : A 47 THR OG1 : rot -35:sc= 0.298 USER MOD Single : A 49 THR OG1 : rot -57:sc= 0.675 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -13.3! C(o=-13!,f=-19!) USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= -0.658 (180deg=-1.52) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 10.015 18.522 2.289 1.00 0.00 N ATOM 2 CA LEU A 1 10.346 17.155 1.791 1.00 0.00 C ATOM 3 C LEU A 1 9.170 16.214 2.063 1.00 0.00 C ATOM 4 O LEU A 1 8.743 16.048 3.188 1.00 0.00 O ATOM 5 CB LEU A 1 11.593 16.638 2.513 1.00 0.00 C ATOM 6 CG LEU A 1 12.760 17.592 2.260 1.00 0.00 C ATOM 7 CD1 LEU A 1 12.799 18.655 3.359 1.00 0.00 C ATOM 8 CD2 LEU A 1 14.072 16.803 2.266 1.00 0.00 C ATOM 0 H1 LEU A 1 10.642 19.218 1.836 1.00 0.00 H new ATOM 0 H2 LEU A 1 9.026 18.745 2.059 1.00 0.00 H new ATOM 0 H3 LEU A 1 10.147 18.557 3.320 1.00 0.00 H new ATOM 0 HA LEU A 1 10.538 17.195 0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.400 16.558 3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 1 11.843 15.638 2.159 1.00 0.00 H new ATOM 0 HG LEU A 1 12.630 18.076 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 1 13.631 19.335 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 1 11.865 19.216 3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 1 12.929 18.172 4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 1 14.906 17.482 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 1 14.201 16.319 3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.045 16.046 1.482 1.00 0.00 H new ATOM 22 N ALA A 2 8.645 15.595 1.040 1.00 0.00 N ATOM 23 CA ALA A 2 7.498 14.665 1.240 1.00 0.00 C ATOM 24 C ALA A 2 7.711 13.403 0.400 1.00 0.00 C ATOM 25 O ALA A 2 8.018 13.471 -0.773 1.00 0.00 O ATOM 26 CB ALA A 2 6.201 15.353 0.805 1.00 0.00 C ATOM 0 H ALA A 2 8.961 15.693 0.075 1.00 0.00 H new ATOM 0 HA ALA A 2 7.431 14.394 2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.362 14.673 0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.048 16.252 1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.269 15.625 -0.248 1.00 0.00 H new ATOM 32 N ALA A 3 7.554 12.251 0.995 1.00 0.00 N ATOM 33 CA ALA A 3 7.749 10.987 0.232 1.00 0.00 C ATOM 34 C ALA A 3 6.860 9.891 0.825 1.00 0.00 C ATOM 35 O ALA A 3 7.310 8.797 1.104 1.00 0.00 O ATOM 36 CB ALA A 3 9.216 10.559 0.320 1.00 0.00 C ATOM 0 H ALA A 3 7.299 12.132 1.975 1.00 0.00 H new ATOM 0 HA ALA A 3 7.480 11.147 -0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.359 9.634 -0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.849 11.340 -0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.486 10.398 1.364 1.00 0.00 H new ATOM 42 N VAL A 4 5.602 10.175 1.019 1.00 0.00 N ATOM 43 CA VAL A 4 4.687 9.149 1.594 1.00 0.00 C ATOM 44 C VAL A 4 3.941 8.440 0.463 1.00 0.00 C ATOM 45 O VAL A 4 2.854 8.827 0.083 1.00 0.00 O ATOM 46 CB VAL A 4 3.678 9.827 2.526 1.00 0.00 C ATOM 47 CG1 VAL A 4 4.426 10.579 3.629 1.00 0.00 C ATOM 48 CG2 VAL A 4 2.826 10.817 1.727 1.00 0.00 C ATOM 0 H VAL A 4 5.168 11.073 0.804 1.00 0.00 H new ATOM 0 HA VAL A 4 5.268 8.420 2.159 1.00 0.00 H new ATOM 0 HB VAL A 4 3.034 9.069 2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.708 11.061 4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.033 9.877 4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.071 11.335 3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.109 11.299 2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.471 11.573 1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.291 10.285 0.940 1.00 0.00 H new ATOM 58 N SER A 5 4.518 7.402 -0.080 1.00 0.00 N ATOM 59 CA SER A 5 3.843 6.669 -1.187 1.00 0.00 C ATOM 60 C SER A 5 4.765 5.563 -1.707 1.00 0.00 C ATOM 61 O SER A 5 5.965 5.607 -1.524 1.00 0.00 O ATOM 62 CB SER A 5 3.523 7.643 -2.321 1.00 0.00 C ATOM 63 OG SER A 5 4.692 8.383 -2.647 1.00 0.00 O ATOM 0 H SER A 5 5.427 7.031 0.196 1.00 0.00 H new ATOM 0 HA SER A 5 2.919 6.225 -0.818 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.168 7.097 -3.195 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.722 8.319 -2.020 1.00 0.00 H new ATOM 0 HG SER A 5 4.491 9.008 -3.375 1.00 0.00 H new ATOM 69 N VAL A 6 4.212 4.573 -2.353 1.00 0.00 N ATOM 70 CA VAL A 6 5.056 3.462 -2.882 1.00 0.00 C ATOM 71 C VAL A 6 4.753 3.242 -4.367 1.00 0.00 C ATOM 72 O VAL A 6 3.670 3.529 -4.839 1.00 0.00 O ATOM 73 CB VAL A 6 4.749 2.178 -2.107 1.00 0.00 C ATOM 74 CG1 VAL A 6 5.382 0.982 -2.824 1.00 0.00 C ATOM 75 CG2 VAL A 6 5.326 2.288 -0.694 1.00 0.00 C ATOM 0 H VAL A 6 3.213 4.485 -2.538 1.00 0.00 H new ATOM 0 HA VAL A 6 6.108 3.722 -2.763 1.00 0.00 H new ATOM 0 HB VAL A 6 3.670 2.037 -2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.163 0.069 -2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.973 0.904 -3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.462 1.121 -2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.109 1.375 -0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.405 2.429 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.876 3.139 -0.182 1.00 0.00 H new ATOM 85 N ASP A 7 5.700 2.726 -5.106 1.00 0.00 N ATOM 86 CA ASP A 7 5.465 2.478 -6.559 1.00 0.00 C ATOM 87 C ASP A 7 4.367 1.426 -6.712 1.00 0.00 C ATOM 88 O ASP A 7 4.496 0.309 -6.251 1.00 0.00 O ATOM 89 CB ASP A 7 6.755 1.971 -7.205 1.00 0.00 C ATOM 90 CG ASP A 7 6.568 1.887 -8.720 1.00 0.00 C ATOM 91 OD1 ASP A 7 5.566 2.387 -9.204 1.00 0.00 O ATOM 92 OD2 ASP A 7 7.431 1.322 -9.373 1.00 0.00 O ATOM 0 H ASP A 7 6.626 2.466 -4.766 1.00 0.00 H new ATOM 0 HA ASP A 7 5.159 3.403 -7.048 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.581 2.641 -6.967 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.014 0.991 -6.805 1.00 0.00 H new ATOM 97 N CYS A 8 3.279 1.773 -7.343 1.00 0.00 N ATOM 98 CA CYS A 8 2.173 0.794 -7.503 1.00 0.00 C ATOM 99 C CYS A 8 1.690 0.781 -8.955 1.00 0.00 C ATOM 100 O CYS A 8 0.508 0.696 -9.225 1.00 0.00 O ATOM 101 CB CYS A 8 1.028 1.200 -6.579 1.00 0.00 C ATOM 102 SG CYS A 8 1.702 1.574 -4.941 1.00 0.00 S ATOM 0 H CYS A 8 3.110 2.691 -7.753 1.00 0.00 H new ATOM 0 HA CYS A 8 2.524 -0.206 -7.246 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.509 2.070 -6.981 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.295 0.396 -6.511 1.00 0.00 H new ATOM 107 N SER A 9 2.594 0.859 -9.891 1.00 0.00 N ATOM 108 CA SER A 9 2.185 0.846 -11.324 1.00 0.00 C ATOM 109 C SER A 9 2.151 -0.596 -11.837 1.00 0.00 C ATOM 110 O SER A 9 1.933 -0.840 -13.007 1.00 0.00 O ATOM 111 CB SER A 9 3.191 1.651 -12.147 1.00 0.00 C ATOM 112 OG SER A 9 2.576 2.848 -12.605 1.00 0.00 O ATOM 0 H SER A 9 3.598 0.931 -9.726 1.00 0.00 H new ATOM 0 HA SER A 9 1.194 1.289 -11.420 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.066 1.887 -11.542 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.539 1.061 -12.995 1.00 0.00 H new ATOM 0 HG SER A 9 3.220 3.366 -13.131 1.00 0.00 H new ATOM 118 N GLU A 10 2.368 -1.553 -10.977 1.00 0.00 N ATOM 119 CA GLU A 10 2.350 -2.972 -11.432 1.00 0.00 C ATOM 120 C GLU A 10 1.386 -3.789 -10.567 1.00 0.00 C ATOM 121 O GLU A 10 1.258 -4.985 -10.732 1.00 0.00 O ATOM 122 CB GLU A 10 3.757 -3.562 -11.313 1.00 0.00 C ATOM 123 CG GLU A 10 4.683 -2.892 -12.331 1.00 0.00 C ATOM 124 CD GLU A 10 5.355 -1.677 -11.689 1.00 0.00 C ATOM 125 OE1 GLU A 10 5.525 -1.687 -10.481 1.00 0.00 O ATOM 126 OE2 GLU A 10 5.689 -0.757 -12.417 1.00 0.00 O ATOM 0 H GLU A 10 2.556 -1.415 -9.984 1.00 0.00 H new ATOM 0 HA GLU A 10 2.019 -3.008 -12.470 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.141 -3.412 -10.304 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.727 -4.638 -11.486 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.438 -3.600 -12.673 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.114 -2.585 -13.209 1.00 0.00 H new ATOM 133 N TYR A 11 0.711 -3.161 -9.645 1.00 0.00 N ATOM 134 CA TYR A 11 -0.228 -3.902 -8.781 1.00 0.00 C ATOM 135 C TYR A 11 -1.583 -4.023 -9.497 1.00 0.00 C ATOM 136 O TYR A 11 -1.841 -3.320 -10.453 1.00 0.00 O ATOM 137 CB TYR A 11 -0.355 -3.145 -7.457 1.00 0.00 C ATOM 138 CG TYR A 11 0.855 -3.467 -6.608 1.00 0.00 C ATOM 139 CD1 TYR A 11 2.052 -2.767 -6.810 1.00 0.00 C ATOM 140 CD2 TYR A 11 0.789 -4.469 -5.629 1.00 0.00 C ATOM 141 CE1 TYR A 11 3.178 -3.063 -6.035 1.00 0.00 C ATOM 142 CE2 TYR A 11 1.920 -4.766 -4.854 1.00 0.00 C ATOM 143 CZ TYR A 11 3.113 -4.062 -5.056 1.00 0.00 C ATOM 144 OH TYR A 11 4.224 -4.354 -4.293 1.00 0.00 O ATOM 0 H TYR A 11 0.775 -2.160 -9.458 1.00 0.00 H new ATOM 0 HA TYR A 11 0.132 -4.910 -8.577 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.417 -2.072 -7.638 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.270 -3.435 -6.940 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.105 -1.997 -7.566 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.132 -5.011 -5.472 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.099 -2.520 -6.192 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.870 -5.538 -4.101 1.00 0.00 H new ATOM 0 HH TYR A 11 4.007 -5.071 -3.661 1.00 0.00 H new ATOM 154 N PRO A 12 -2.388 -4.946 -9.035 1.00 0.00 N ATOM 155 CA PRO A 12 -2.054 -5.789 -7.874 1.00 0.00 C ATOM 156 C PRO A 12 -0.965 -6.812 -8.206 1.00 0.00 C ATOM 157 O PRO A 12 -0.854 -7.293 -9.315 1.00 0.00 O ATOM 158 CB PRO A 12 -3.375 -6.489 -7.547 1.00 0.00 C ATOM 159 CG PRO A 12 -4.205 -6.464 -8.851 1.00 0.00 C ATOM 160 CD PRO A 12 -3.697 -5.252 -9.649 1.00 0.00 C ATOM 0 HA PRO A 12 -1.656 -5.207 -7.042 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.202 -7.512 -7.214 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.899 -5.976 -6.741 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.073 -7.387 -9.416 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.269 -6.372 -8.635 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.596 -5.485 -10.709 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.382 -4.407 -9.572 1.00 0.00 H new ATOM 168 N LYS A 13 -0.161 -7.136 -7.230 1.00 0.00 N ATOM 169 CA LYS A 13 0.939 -8.118 -7.437 1.00 0.00 C ATOM 170 C LYS A 13 0.436 -9.525 -7.096 1.00 0.00 C ATOM 171 O LYS A 13 -0.355 -9.692 -6.188 1.00 0.00 O ATOM 172 CB LYS A 13 2.092 -7.756 -6.507 1.00 0.00 C ATOM 173 CG LYS A 13 3.274 -7.240 -7.328 1.00 0.00 C ATOM 174 CD LYS A 13 4.245 -6.498 -6.409 1.00 0.00 C ATOM 175 CE LYS A 13 5.628 -7.143 -6.505 1.00 0.00 C ATOM 176 NZ LYS A 13 6.055 -7.604 -5.154 1.00 0.00 N ATOM 0 H LYS A 13 -0.222 -6.756 -6.285 1.00 0.00 H new ATOM 0 HA LYS A 13 1.271 -8.095 -8.475 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.772 -6.996 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.393 -8.629 -5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.782 -8.071 -7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.921 -6.574 -8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.301 -5.447 -6.693 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.887 -6.531 -5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.601 -7.985 -7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.348 -6.427 -6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.910 -8.189 -5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.259 -6.779 -4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.294 -8.166 -4.722 1.00 0.00 H new ATOM 190 N PRO A 14 0.909 -10.500 -7.834 1.00 0.00 N ATOM 191 CA PRO A 14 0.519 -11.910 -7.632 1.00 0.00 C ATOM 192 C PRO A 14 1.276 -12.520 -6.449 1.00 0.00 C ATOM 193 O PRO A 14 1.286 -13.720 -6.257 1.00 0.00 O ATOM 194 CB PRO A 14 0.918 -12.581 -8.947 1.00 0.00 C ATOM 195 CG PRO A 14 2.002 -11.682 -9.586 1.00 0.00 C ATOM 196 CD PRO A 14 1.857 -10.289 -8.952 1.00 0.00 C ATOM 0 HA PRO A 14 -0.539 -12.032 -7.399 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.302 -13.585 -8.769 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.057 -12.681 -9.608 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.997 -12.088 -9.403 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.872 -11.630 -10.667 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.815 -9.911 -8.596 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.474 -9.562 -9.668 1.00 0.00 H new ATOM 204 N ALA A 15 1.902 -11.702 -5.654 1.00 0.00 N ATOM 205 CA ALA A 15 2.654 -12.226 -4.480 1.00 0.00 C ATOM 206 C ALA A 15 2.935 -11.083 -3.502 1.00 0.00 C ATOM 207 O ALA A 15 3.619 -10.133 -3.827 1.00 0.00 O ATOM 208 CB ALA A 15 3.978 -12.829 -4.948 1.00 0.00 C ATOM 0 H ALA A 15 1.926 -10.688 -5.766 1.00 0.00 H new ATOM 0 HA ALA A 15 2.060 -12.993 -3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.527 -13.212 -4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.781 -13.644 -5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.572 -12.062 -5.445 1.00 0.00 H new ATOM 214 N CYS A 16 2.418 -11.167 -2.306 1.00 0.00 N ATOM 215 CA CYS A 16 2.664 -10.083 -1.315 1.00 0.00 C ATOM 216 C CYS A 16 3.722 -10.541 -0.312 1.00 0.00 C ATOM 217 O CYS A 16 3.684 -11.649 0.185 1.00 0.00 O ATOM 218 CB CYS A 16 1.367 -9.753 -0.572 1.00 0.00 C ATOM 219 SG CYS A 16 0.088 -9.295 -1.769 1.00 0.00 S ATOM 0 H CYS A 16 1.838 -11.937 -1.974 1.00 0.00 H new ATOM 0 HA CYS A 16 3.015 -9.193 -1.837 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.041 -10.613 0.013 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.534 -8.935 0.129 1.00 0.00 H new ATOM 224 N THR A 17 4.666 -9.696 -0.009 1.00 0.00 N ATOM 225 CA THR A 17 5.723 -10.083 0.963 1.00 0.00 C ATOM 226 C THR A 17 5.067 -10.515 2.272 1.00 0.00 C ATOM 227 O THR A 17 4.071 -9.959 2.691 1.00 0.00 O ATOM 228 CB THR A 17 6.643 -8.889 1.223 1.00 0.00 C ATOM 229 OG1 THR A 17 5.937 -7.687 0.954 1.00 0.00 O ATOM 230 CG2 THR A 17 7.870 -8.978 0.314 1.00 0.00 C ATOM 0 H THR A 17 4.751 -8.755 -0.392 1.00 0.00 H new ATOM 0 HA THR A 17 6.309 -10.907 0.556 1.00 0.00 H new ATOM 0 HB THR A 17 6.967 -8.898 2.264 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.803 -7.193 1.789 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.524 -8.126 0.501 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.410 -9.902 0.521 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.552 -8.969 -0.729 1.00 0.00 H new ATOM 238 N LEU A 18 5.610 -11.505 2.922 1.00 0.00 N ATOM 239 CA LEU A 18 5.006 -11.966 4.201 1.00 0.00 C ATOM 240 C LEU A 18 5.351 -10.976 5.315 1.00 0.00 C ATOM 241 O LEU A 18 4.546 -10.714 6.186 1.00 0.00 O ATOM 242 CB LEU A 18 5.547 -13.355 4.554 1.00 0.00 C ATOM 243 CG LEU A 18 5.674 -14.196 3.282 1.00 0.00 C ATOM 244 CD1 LEU A 18 5.914 -15.658 3.660 1.00 0.00 C ATOM 245 CD2 LEU A 18 4.384 -14.085 2.465 1.00 0.00 C ATOM 0 H LEU A 18 6.443 -12.013 2.624 1.00 0.00 H new ATOM 0 HA LEU A 18 3.923 -12.021 4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.518 -13.265 5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.880 -13.847 5.262 1.00 0.00 H new ATOM 0 HG LEU A 18 6.512 -13.832 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.005 -16.258 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.833 -15.737 4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.076 -16.022 4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.475 -14.684 1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.545 -14.449 3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.213 -13.043 2.195 1.00 0.00 H new ATOM 257 N GLU A 19 6.536 -10.420 5.293 1.00 0.00 N ATOM 258 CA GLU A 19 6.918 -9.445 6.344 1.00 0.00 C ATOM 259 C GLU A 19 5.747 -8.512 6.594 1.00 0.00 C ATOM 260 O GLU A 19 5.250 -7.861 5.697 1.00 0.00 O ATOM 261 CB GLU A 19 8.126 -8.643 5.881 1.00 0.00 C ATOM 262 CG GLU A 19 9.363 -9.527 5.970 1.00 0.00 C ATOM 263 CD GLU A 19 10.122 -9.464 4.647 1.00 0.00 C ATOM 264 OE1 GLU A 19 9.486 -9.608 3.616 1.00 0.00 O ATOM 265 OE2 GLU A 19 11.325 -9.275 4.686 1.00 0.00 O ATOM 0 H GLU A 19 7.252 -10.603 4.590 1.00 0.00 H new ATOM 0 HA GLU A 19 7.173 -9.971 7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.981 -8.298 4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.251 -7.755 6.501 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.004 -9.195 6.787 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.075 -10.555 6.189 1.00 0.00 H new ATOM 272 N TYR A 20 5.290 -8.462 7.802 1.00 0.00 N ATOM 273 CA TYR A 20 4.126 -7.589 8.105 1.00 0.00 C ATOM 274 C TYR A 20 4.572 -6.149 8.282 1.00 0.00 C ATOM 275 O TYR A 20 5.111 -5.749 9.295 1.00 0.00 O ATOM 276 CB TYR A 20 3.409 -8.072 9.355 1.00 0.00 C ATOM 277 CG TYR A 20 2.121 -7.298 9.542 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.298 -7.016 8.439 1.00 0.00 C ATOM 279 CD2 TYR A 20 1.743 -6.870 10.821 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.101 -6.306 8.619 1.00 0.00 C ATOM 281 CE2 TYR A 20 0.548 -6.162 10.999 1.00 0.00 C ATOM 282 CZ TYR A 20 -0.272 -5.881 9.900 1.00 0.00 C ATOM 283 OH TYR A 20 -1.449 -5.183 10.078 1.00 0.00 O ATOM 0 H TYR A 20 5.666 -8.983 8.594 1.00 0.00 H new ATOM 0 HA TYR A 20 3.434 -7.639 7.264 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.194 -9.138 9.273 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.051 -7.942 10.226 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.587 -7.346 7.452 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.374 -7.086 11.671 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.531 -6.088 7.771 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.259 -5.832 11.986 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.965 -5.592 10.804 1.00 0.00 H new ATOM 293 N ARG A 21 4.305 -5.380 7.286 1.00 0.00 N ATOM 294 CA ARG A 21 4.644 -3.932 7.299 1.00 0.00 C ATOM 295 C ARG A 21 3.440 -3.203 6.705 1.00 0.00 C ATOM 296 O ARG A 21 3.424 -2.897 5.533 1.00 0.00 O ATOM 297 CB ARG A 21 5.892 -3.682 6.449 1.00 0.00 C ATOM 298 CG ARG A 21 6.893 -4.821 6.667 1.00 0.00 C ATOM 299 CD ARG A 21 7.328 -4.852 8.134 1.00 0.00 C ATOM 300 NE ARG A 21 7.468 -6.267 8.579 1.00 0.00 N ATOM 301 CZ ARG A 21 8.074 -6.545 9.702 1.00 0.00 C ATOM 302 NH1 ARG A 21 7.394 -6.605 10.813 1.00 0.00 N ATOM 303 NH2 ARG A 21 9.361 -6.764 9.712 1.00 0.00 N ATOM 0 H ARG A 21 3.850 -5.697 6.430 1.00 0.00 H new ATOM 0 HA ARG A 21 4.856 -3.579 8.308 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.621 -3.618 5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.345 -2.728 6.720 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.440 -5.774 6.392 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.762 -4.683 6.023 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.275 -4.326 8.255 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.595 -4.335 8.753 1.00 0.00 H new ATOM 0 HE ARG A 21 7.090 -7.021 8.005 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.388 -6.435 10.805 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.868 -6.822 11.690 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.893 -6.718 8.843 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.835 -6.981 10.589 1.00 0.00 H new ATOM 317 N PRO A 22 2.448 -3.005 7.544 1.00 0.00 N ATOM 318 CA PRO A 22 1.152 -2.388 7.166 1.00 0.00 C ATOM 319 C PRO A 22 1.235 -0.920 6.774 1.00 0.00 C ATOM 320 O PRO A 22 1.744 -0.110 7.501 1.00 0.00 O ATOM 321 CB PRO A 22 0.301 -2.534 8.437 1.00 0.00 C ATOM 322 CG PRO A 22 1.284 -2.754 9.604 1.00 0.00 C ATOM 323 CD PRO A 22 2.552 -3.352 8.981 1.00 0.00 C ATOM 0 HA PRO A 22 0.750 -2.877 6.279 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.303 -1.642 8.603 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.388 -3.374 8.347 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.504 -1.815 10.111 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.861 -3.427 10.349 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.452 -2.931 9.428 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.597 -4.431 9.128 1.00 0.00 H new ATOM 331 N LEU A 23 0.688 -0.566 5.640 1.00 0.00 N ATOM 332 CA LEU A 23 0.681 0.857 5.240 1.00 0.00 C ATOM 333 C LEU A 23 -0.772 1.365 5.385 1.00 0.00 C ATOM 334 O LEU A 23 -1.693 0.576 5.402 1.00 0.00 O ATOM 335 CB LEU A 23 1.170 0.938 3.800 1.00 0.00 C ATOM 336 CG LEU A 23 2.635 0.520 3.768 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.754 -0.856 3.131 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.440 1.522 2.953 1.00 0.00 C ATOM 0 H LEU A 23 0.248 -1.206 4.979 1.00 0.00 H new ATOM 0 HA LEU A 23 1.333 1.474 5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.575 0.286 3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.056 1.952 3.417 1.00 0.00 H new ATOM 0 HG LEU A 23 3.022 0.489 4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.801 -1.157 3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.182 -1.578 3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.363 -0.821 2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.487 1.218 2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.053 1.557 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.357 2.510 3.406 1.00 0.00 H new ATOM 350 N CYS A 24 -1.000 2.652 5.513 1.00 0.00 N ATOM 351 CA CYS A 24 -2.417 3.140 5.681 1.00 0.00 C ATOM 352 C CYS A 24 -2.823 4.026 4.492 1.00 0.00 C ATOM 353 O CYS A 24 -2.058 4.846 4.030 1.00 0.00 O ATOM 354 CB CYS A 24 -2.515 3.915 7.011 1.00 0.00 C ATOM 355 SG CYS A 24 -3.554 5.403 6.862 1.00 0.00 S ATOM 0 H CYS A 24 -0.283 3.378 5.509 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.103 2.293 5.706 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.926 3.262 7.781 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.515 4.203 7.337 1.00 0.00 H new ATOM 360 N GLY A 25 -4.022 3.852 3.985 1.00 0.00 N ATOM 361 CA GLY A 25 -4.486 4.659 2.809 1.00 0.00 C ATOM 362 C GLY A 25 -5.427 5.794 3.200 1.00 0.00 C ATOM 363 O GLY A 25 -6.036 5.793 4.251 1.00 0.00 O ATOM 0 H GLY A 25 -4.704 3.181 4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.619 5.074 2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.992 4.002 2.101 1.00 0.00 H new ATOM 367 N SER A 26 -5.509 6.787 2.345 1.00 0.00 N ATOM 368 CA SER A 26 -6.370 7.975 2.625 1.00 0.00 C ATOM 369 C SER A 26 -7.807 7.537 2.903 1.00 0.00 C ATOM 370 O SER A 26 -8.585 8.271 3.482 1.00 0.00 O ATOM 371 CB SER A 26 -6.345 8.915 1.418 1.00 0.00 C ATOM 372 OG SER A 26 -7.216 10.011 1.661 1.00 0.00 O ATOM 0 H SER A 26 -5.009 6.822 1.456 1.00 0.00 H new ATOM 0 HA SER A 26 -5.985 8.492 3.504 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.331 9.273 1.242 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.655 8.381 0.520 1.00 0.00 H new ATOM 0 HG SER A 26 -7.202 10.617 0.891 1.00 0.00 H new ATOM 378 N ASP A 27 -8.171 6.347 2.511 1.00 0.00 N ATOM 379 CA ASP A 27 -9.561 5.877 2.777 1.00 0.00 C ATOM 380 C ASP A 27 -9.638 5.290 4.190 1.00 0.00 C ATOM 381 O ASP A 27 -10.530 4.531 4.511 1.00 0.00 O ATOM 382 CB ASP A 27 -9.957 4.808 1.753 1.00 0.00 C ATOM 383 CG ASP A 27 -8.905 3.696 1.719 1.00 0.00 C ATOM 384 OD1 ASP A 27 -7.946 3.786 2.464 1.00 0.00 O ATOM 385 OD2 ASP A 27 -9.079 2.772 0.942 1.00 0.00 O ATOM 0 H ASP A 27 -7.571 5.683 2.021 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.247 6.720 2.694 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.931 4.390 2.010 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.054 5.258 0.765 1.00 0.00 H new ATOM 390 N ASN A 28 -8.706 5.640 5.038 1.00 0.00 N ATOM 391 CA ASN A 28 -8.710 5.117 6.431 1.00 0.00 C ATOM 392 C ASN A 28 -8.695 3.591 6.412 1.00 0.00 C ATOM 393 O ASN A 28 -8.951 2.945 7.409 1.00 0.00 O ATOM 394 CB ASN A 28 -9.958 5.616 7.162 1.00 0.00 C ATOM 395 CG ASN A 28 -10.027 4.978 8.551 1.00 0.00 C ATOM 396 OD1 ASN A 28 -9.011 4.753 9.179 1.00 0.00 O ATOM 397 ND2 ASN A 28 -11.190 4.674 9.061 1.00 0.00 N ATOM 0 H ASN A 28 -7.936 6.272 4.820 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.821 5.474 6.952 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.930 6.702 7.250 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.852 5.365 6.590 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.246 4.248 9.986 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -12.043 4.863 8.534 1.00 0.00 H new ATOM 404 N LYS A 29 -8.377 3.007 5.295 1.00 0.00 N ATOM 405 CA LYS A 29 -8.325 1.532 5.229 1.00 0.00 C ATOM 406 C LYS A 29 -6.870 1.102 5.348 1.00 0.00 C ATOM 407 O LYS A 29 -6.005 1.579 4.641 1.00 0.00 O ATOM 408 CB LYS A 29 -8.909 1.057 3.902 1.00 0.00 C ATOM 409 CG LYS A 29 -8.538 -0.403 3.673 1.00 0.00 C ATOM 410 CD LYS A 29 -9.812 -1.233 3.500 1.00 0.00 C ATOM 411 CE LYS A 29 -9.438 -2.666 3.117 1.00 0.00 C ATOM 412 NZ LYS A 29 -8.689 -2.653 1.829 1.00 0.00 N ATOM 0 H LYS A 29 -8.151 3.491 4.426 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.908 1.094 6.039 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.993 1.170 3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.530 1.671 3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.909 -0.495 2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.958 -0.778 4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.389 -1.231 4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.444 -0.792 2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.829 -3.117 3.900 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.337 -3.275 3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.825 -3.560 1.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.042 -1.879 1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.676 -2.510 2.018 1.00 0.00 H new ATOM 426 N THR A 30 -6.594 0.218 6.254 1.00 0.00 N ATOM 427 CA THR A 30 -5.191 -0.237 6.444 1.00 0.00 C ATOM 428 C THR A 30 -4.907 -1.425 5.536 1.00 0.00 C ATOM 429 O THR A 30 -5.606 -2.418 5.557 1.00 0.00 O ATOM 430 CB THR A 30 -4.984 -0.656 7.903 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.992 0.500 8.728 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.640 -1.380 8.049 1.00 0.00 C ATOM 0 H THR A 30 -7.279 -0.213 6.875 1.00 0.00 H new ATOM 0 HA THR A 30 -4.513 0.579 6.195 1.00 0.00 H new ATOM 0 HB THR A 30 -5.787 -1.328 8.205 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.862 0.236 9.663 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.497 -1.676 9.088 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.634 -2.267 7.415 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.833 -0.713 7.748 1.00 0.00 H new ATOM 440 N TYR A 31 -3.872 -1.344 4.749 1.00 0.00 N ATOM 441 CA TYR A 31 -3.540 -2.484 3.862 1.00 0.00 C ATOM 442 C TYR A 31 -2.440 -3.316 4.541 1.00 0.00 C ATOM 443 O TYR A 31 -1.423 -2.793 4.952 1.00 0.00 O ATOM 444 CB TYR A 31 -3.073 -1.991 2.484 1.00 0.00 C ATOM 445 CG TYR A 31 -2.941 -0.488 2.433 1.00 0.00 C ATOM 446 CD1 TYR A 31 -1.765 0.060 2.861 1.00 0.00 C ATOM 447 CD2 TYR A 31 -3.949 0.341 1.894 1.00 0.00 C ATOM 448 CE1 TYR A 31 -1.569 1.444 2.771 1.00 0.00 C ATOM 449 CE2 TYR A 31 -3.743 1.715 1.790 1.00 0.00 C ATOM 450 CZ TYR A 31 -2.550 2.265 2.235 1.00 0.00 C ATOM 451 OH TYR A 31 -2.306 3.608 2.098 1.00 0.00 O ATOM 0 H TYR A 31 -3.246 -0.541 4.684 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.427 -3.096 3.702 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.113 -2.447 2.243 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.782 -2.318 1.723 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.989 -0.572 3.267 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.881 -0.091 1.562 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.644 1.876 3.123 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -4.508 2.348 1.365 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.232 3.832 1.147 1.00 0.00 H new ATOM 461 N GLY A 32 -2.675 -4.603 4.689 1.00 0.00 N ATOM 462 CA GLY A 32 -1.704 -5.519 5.373 1.00 0.00 C ATOM 463 C GLY A 32 -0.274 -4.985 5.311 1.00 0.00 C ATOM 464 O GLY A 32 0.456 -5.033 6.280 1.00 0.00 O ATOM 0 H GLY A 32 -3.521 -5.065 4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.998 -5.647 6.415 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.744 -6.504 4.907 1.00 0.00 H new ATOM 468 N ASN A 33 0.141 -4.481 4.189 1.00 0.00 N ATOM 469 CA ASN A 33 1.521 -3.956 4.090 1.00 0.00 C ATOM 470 C ASN A 33 1.759 -3.393 2.693 1.00 0.00 C ATOM 471 O ASN A 33 0.840 -2.951 2.035 1.00 0.00 O ATOM 472 CB ASN A 33 2.519 -5.079 4.404 1.00 0.00 C ATOM 473 CG ASN A 33 2.300 -6.255 3.445 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.683 -6.104 2.409 1.00 0.00 O ATOM 475 ND2 ASN A 33 2.786 -7.429 3.754 1.00 0.00 N ATOM 0 H ASN A 33 -0.416 -4.410 3.337 1.00 0.00 H new ATOM 0 HA ASN A 33 1.662 -3.152 4.812 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.539 -4.707 4.310 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.394 -5.411 5.435 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.648 -8.220 3.125 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.304 -7.554 4.624 1.00 0.00 H new ATOM 482 N LYS A 34 2.984 -3.351 2.251 1.00 0.00 N ATOM 483 CA LYS A 34 3.261 -2.755 0.918 1.00 0.00 C ATOM 484 C LYS A 34 2.369 -3.390 -0.154 1.00 0.00 C ATOM 485 O LYS A 34 1.605 -2.713 -0.803 1.00 0.00 O ATOM 486 CB LYS A 34 4.738 -2.937 0.549 1.00 0.00 C ATOM 487 CG LYS A 34 5.274 -4.244 1.138 1.00 0.00 C ATOM 488 CD LYS A 34 6.283 -4.865 0.166 1.00 0.00 C ATOM 489 CE LYS A 34 5.587 -5.209 -1.154 1.00 0.00 C ATOM 490 NZ LYS A 34 6.203 -6.436 -1.732 1.00 0.00 N ATOM 0 H LYS A 34 3.800 -3.702 2.752 1.00 0.00 H new ATOM 0 HA LYS A 34 3.039 -1.689 0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.851 -2.945 -0.535 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.320 -2.095 0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.749 -4.054 2.100 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.453 -4.938 1.319 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.103 -4.170 -0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.718 -5.764 0.604 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.522 -5.368 -0.986 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.679 -4.378 -1.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.620 -6.778 -2.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.159 -6.215 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.261 -7.173 -1.000 1.00 0.00 H new ATOM 504 N CYS A 35 2.458 -4.673 -0.361 1.00 0.00 N ATOM 505 CA CYS A 35 1.615 -5.315 -1.404 1.00 0.00 C ATOM 506 C CYS A 35 0.147 -4.946 -1.193 1.00 0.00 C ATOM 507 O CYS A 35 -0.453 -4.265 -2.003 1.00 0.00 O ATOM 508 CB CYS A 35 1.775 -6.830 -1.321 1.00 0.00 C ATOM 509 SG CYS A 35 0.806 -7.616 -2.632 1.00 0.00 S ATOM 0 H CYS A 35 3.078 -5.304 0.147 1.00 0.00 H new ATOM 0 HA CYS A 35 1.932 -4.964 -2.386 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.826 -7.101 -1.420 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.444 -7.188 -0.346 1.00 0.00 H new ATOM 514 N ASN A 36 -0.441 -5.383 -0.111 1.00 0.00 N ATOM 515 CA ASN A 36 -1.870 -5.049 0.141 1.00 0.00 C ATOM 516 C ASN A 36 -2.077 -3.554 -0.048 1.00 0.00 C ATOM 517 O ASN A 36 -3.182 -3.095 -0.255 1.00 0.00 O ATOM 518 CB ASN A 36 -2.242 -5.396 1.578 1.00 0.00 C ATOM 519 CG ASN A 36 -2.371 -6.915 1.732 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.467 -7.439 1.760 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.298 -7.650 1.834 1.00 0.00 N ATOM 0 H ASN A 36 0.006 -5.955 0.606 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.490 -5.617 -0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.483 -5.016 2.261 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.182 -4.914 1.846 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.381 -8.661 1.937 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.377 -7.213 1.811 1.00 0.00 H new ATOM 528 N PHE A 37 -1.034 -2.786 0.039 1.00 0.00 N ATOM 529 CA PHE A 37 -1.206 -1.328 -0.117 1.00 0.00 C ATOM 530 C PHE A 37 -1.336 -0.947 -1.588 1.00 0.00 C ATOM 531 O PHE A 37 -2.372 -0.528 -2.060 1.00 0.00 O ATOM 532 CB PHE A 37 -0.009 -0.572 0.484 1.00 0.00 C ATOM 533 CG PHE A 37 -0.130 0.872 0.092 1.00 0.00 C ATOM 534 CD1 PHE A 37 -1.398 1.411 -0.007 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.990 1.659 -0.167 1.00 0.00 C ATOM 536 CE1 PHE A 37 -1.584 2.735 -0.354 1.00 0.00 C ATOM 537 CE2 PHE A 37 0.819 3.007 -0.527 1.00 0.00 C ATOM 538 CZ PHE A 37 -0.477 3.547 -0.619 1.00 0.00 C ATOM 0 H PHE A 37 -0.080 -3.103 0.210 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.119 -1.050 0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.000 -0.673 1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.929 -0.989 0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.257 0.787 0.190 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.981 1.237 -0.092 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.582 3.142 -0.420 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.680 3.626 -0.732 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.616 4.582 -0.893 1.00 0.00 H new ATOM 548 N CYS A 38 -0.264 -1.043 -2.284 1.00 0.00 N ATOM 549 CA CYS A 38 -0.246 -0.661 -3.717 1.00 0.00 C ATOM 550 C CYS A 38 -1.531 -1.112 -4.404 1.00 0.00 C ATOM 551 O CYS A 38 -2.081 -0.394 -5.203 1.00 0.00 O ATOM 552 CB CYS A 38 0.953 -1.305 -4.405 1.00 0.00 C ATOM 553 SG CYS A 38 2.384 -0.206 -4.273 1.00 0.00 S ATOM 0 H CYS A 38 0.629 -1.377 -1.921 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.170 0.424 -3.789 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.176 -2.268 -3.945 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.724 -1.498 -5.453 1.00 0.00 H new ATOM 558 N ASN A 39 -2.030 -2.281 -4.112 1.00 0.00 N ATOM 559 CA ASN A 39 -3.293 -2.699 -4.790 1.00 0.00 C ATOM 560 C ASN A 39 -4.395 -1.725 -4.378 1.00 0.00 C ATOM 561 O ASN A 39 -5.146 -1.253 -5.201 1.00 0.00 O ATOM 562 CB ASN A 39 -3.716 -4.132 -4.415 1.00 0.00 C ATOM 563 CG ASN A 39 -2.730 -4.764 -3.438 1.00 0.00 C ATOM 564 OD1 ASN A 39 -2.763 -4.475 -2.267 1.00 0.00 O ATOM 565 ND2 ASN A 39 -1.856 -5.629 -3.871 1.00 0.00 N ATOM 0 H ASN A 39 -1.633 -2.950 -3.452 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.126 -2.685 -5.867 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.711 -4.115 -3.970 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.780 -4.742 -5.316 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.200 -6.061 -3.220 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.828 -5.874 -4.861 1.00 0.00 H new ATOM 572 N ALA A 40 -4.477 -1.406 -3.111 1.00 0.00 N ATOM 573 CA ALA A 40 -5.514 -0.444 -2.632 1.00 0.00 C ATOM 574 C ALA A 40 -5.396 0.839 -3.441 1.00 0.00 C ATOM 575 O ALA A 40 -6.322 1.619 -3.540 1.00 0.00 O ATOM 576 CB ALA A 40 -5.266 -0.137 -1.148 1.00 0.00 C ATOM 0 H ALA A 40 -3.865 -1.774 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.510 -0.870 -2.754 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.019 0.565 -0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.327 -1.059 -0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.275 0.302 -1.028 1.00 0.00 H new ATOM 582 N VAL A 41 -4.257 1.053 -4.018 1.00 0.00 N ATOM 583 CA VAL A 41 -4.049 2.273 -4.835 1.00 0.00 C ATOM 584 C VAL A 41 -4.541 2.010 -6.254 1.00 0.00 C ATOM 585 O VAL A 41 -5.469 2.630 -6.728 1.00 0.00 O ATOM 586 CB VAL A 41 -2.558 2.583 -4.852 1.00 0.00 C ATOM 587 CG1 VAL A 41 -2.258 3.694 -5.863 1.00 0.00 C ATOM 588 CG2 VAL A 41 -2.149 3.015 -3.445 1.00 0.00 C ATOM 0 H VAL A 41 -3.451 0.430 -3.959 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.599 3.117 -4.418 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.993 1.700 -5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.189 3.905 -5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.566 3.373 -6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.806 4.595 -5.587 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.083 3.243 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.714 3.902 -3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.357 2.209 -2.742 1.00 0.00 H new ATOM 598 N VAL A 42 -3.923 1.089 -6.934 1.00 0.00 N ATOM 599 CA VAL A 42 -4.337 0.769 -8.317 1.00 0.00 C ATOM 600 C VAL A 42 -5.812 0.320 -8.343 1.00 0.00 C ATOM 601 O VAL A 42 -6.403 0.203 -9.398 1.00 0.00 O ATOM 602 CB VAL A 42 -3.408 -0.326 -8.867 1.00 0.00 C ATOM 603 CG1 VAL A 42 -3.060 -1.332 -7.772 1.00 0.00 C ATOM 604 CG2 VAL A 42 -4.087 -1.055 -10.017 1.00 0.00 C ATOM 0 H VAL A 42 -3.139 0.539 -6.582 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.256 1.654 -8.948 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.493 0.148 -9.222 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.402 -2.100 -8.179 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.556 -0.819 -6.953 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.974 -1.797 -7.401 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.422 -1.829 -10.401 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.010 -1.513 -9.663 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.316 -0.346 -10.813 1.00 0.00 H new ATOM 614 N GLU A 43 -6.430 0.100 -7.202 1.00 0.00 N ATOM 615 CA GLU A 43 -7.864 -0.297 -7.207 1.00 0.00 C ATOM 616 C GLU A 43 -8.700 0.976 -7.123 1.00 0.00 C ATOM 617 O GLU A 43 -9.788 1.062 -7.658 1.00 0.00 O ATOM 618 CB GLU A 43 -8.177 -1.186 -5.999 1.00 0.00 C ATOM 619 CG GLU A 43 -7.593 -0.591 -4.737 1.00 0.00 C ATOM 620 CD GLU A 43 -8.724 -0.252 -3.761 1.00 0.00 C ATOM 621 OE1 GLU A 43 -9.851 -0.126 -4.211 1.00 0.00 O ATOM 622 OE2 GLU A 43 -8.445 -0.121 -2.581 1.00 0.00 O ATOM 0 H GLU A 43 -6.001 0.179 -6.280 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.091 -0.856 -8.115 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.256 -1.296 -5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.770 -2.184 -6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.900 -1.296 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.023 0.307 -4.976 1.00 0.00 H new ATOM 629 N SER A 44 -8.184 1.969 -6.452 1.00 0.00 N ATOM 630 CA SER A 44 -8.922 3.255 -6.316 1.00 0.00 C ATOM 631 C SER A 44 -8.507 4.206 -7.442 1.00 0.00 C ATOM 632 O SER A 44 -8.861 5.368 -7.444 1.00 0.00 O ATOM 633 CB SER A 44 -8.587 3.893 -4.965 1.00 0.00 C ATOM 634 OG SER A 44 -7.601 4.903 -5.149 1.00 0.00 O ATOM 0 H SER A 44 -7.276 1.943 -5.989 1.00 0.00 H new ATOM 0 HA SER A 44 -9.994 3.066 -6.376 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.485 4.323 -4.521 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.221 3.134 -4.273 1.00 0.00 H new ATOM 0 HG SER A 44 -6.708 4.509 -5.059 1.00 0.00 H new ATOM 640 N ASN A 45 -7.745 3.723 -8.389 1.00 0.00 N ATOM 641 CA ASN A 45 -7.289 4.593 -9.511 1.00 0.00 C ATOM 642 C ASN A 45 -6.087 5.424 -9.052 1.00 0.00 C ATOM 643 O ASN A 45 -5.578 6.257 -9.775 1.00 0.00 O ATOM 644 CB ASN A 45 -8.417 5.531 -9.948 1.00 0.00 C ATOM 645 CG ASN A 45 -8.474 5.582 -11.475 1.00 0.00 C ATOM 646 OD1 ASN A 45 -7.619 6.172 -12.107 1.00 0.00 O ATOM 647 ND2 ASN A 45 -9.452 4.983 -12.097 1.00 0.00 N ATOM 0 H ASN A 45 -7.418 2.758 -8.432 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.005 3.964 -10.355 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -9.370 5.182 -9.549 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.250 6.530 -9.546 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.500 5.009 -13.116 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -10.168 4.489 -11.565 1.00 0.00 H new ATOM 654 N GLY A 46 -5.632 5.196 -7.853 1.00 0.00 N ATOM 655 CA GLY A 46 -4.463 5.958 -7.331 1.00 0.00 C ATOM 656 C GLY A 46 -4.940 7.260 -6.690 1.00 0.00 C ATOM 657 O GLY A 46 -4.151 8.088 -6.284 1.00 0.00 O ATOM 0 H GLY A 46 -6.022 4.510 -7.207 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.923 5.358 -6.599 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.767 6.174 -8.141 1.00 0.00 H new ATOM 661 N THR A 47 -6.227 7.443 -6.581 1.00 0.00 N ATOM 662 CA THR A 47 -6.743 8.687 -5.949 1.00 0.00 C ATOM 663 C THR A 47 -6.656 8.539 -4.428 1.00 0.00 C ATOM 664 O THR A 47 -7.064 9.410 -3.685 1.00 0.00 O ATOM 665 CB THR A 47 -8.202 8.905 -6.357 1.00 0.00 C ATOM 666 OG1 THR A 47 -8.616 10.203 -5.951 1.00 0.00 O ATOM 667 CG2 THR A 47 -9.084 7.852 -5.687 1.00 0.00 C ATOM 0 H THR A 47 -6.940 6.787 -6.901 1.00 0.00 H new ATOM 0 HA THR A 47 -6.149 9.541 -6.276 1.00 0.00 H new ATOM 0 HB THR A 47 -8.295 8.816 -7.439 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.189 10.431 -5.099 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.123 8.008 -5.978 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.765 6.858 -6.000 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.994 7.938 -4.604 1.00 0.00 H new ATOM 675 N LEU A 48 -6.133 7.437 -3.961 1.00 0.00 N ATOM 676 CA LEU A 48 -6.020 7.212 -2.511 1.00 0.00 C ATOM 677 C LEU A 48 -4.688 7.770 -2.015 1.00 0.00 C ATOM 678 O LEU A 48 -4.617 8.827 -1.424 1.00 0.00 O ATOM 679 CB LEU A 48 -6.094 5.694 -2.303 1.00 0.00 C ATOM 680 CG LEU A 48 -5.262 5.236 -1.107 1.00 0.00 C ATOM 681 CD1 LEU A 48 -6.193 4.635 -0.079 1.00 0.00 C ATOM 682 CD2 LEU A 48 -4.259 4.183 -1.576 1.00 0.00 C ATOM 0 H LEU A 48 -5.777 6.677 -4.541 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.813 7.712 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.133 5.399 -2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.744 5.188 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.723 6.076 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.616 4.302 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.918 5.385 0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.717 3.785 -0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.659 3.849 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.795 3.333 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.606 4.615 -2.335 1.00 0.00 H new ATOM 694 N THR A 49 -3.646 7.027 -2.237 1.00 0.00 N ATOM 695 CA THR A 49 -2.294 7.418 -1.786 1.00 0.00 C ATOM 696 C THR A 49 -2.113 7.012 -0.336 1.00 0.00 C ATOM 697 O THR A 49 -3.038 7.003 0.451 1.00 0.00 O ATOM 698 CB THR A 49 -2.072 8.915 -1.923 1.00 0.00 C ATOM 699 OG1 THR A 49 -2.558 9.588 -0.770 1.00 0.00 O ATOM 700 CG2 THR A 49 -2.783 9.423 -3.164 1.00 0.00 C ATOM 0 H THR A 49 -3.681 6.135 -2.730 1.00 0.00 H new ATOM 0 HA THR A 49 -1.564 6.909 -2.416 1.00 0.00 H new ATOM 0 HB THR A 49 -1.004 9.112 -2.017 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.508 9.380 -0.646 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.623 10.497 -3.261 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.386 8.916 -4.044 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.851 9.221 -3.080 1.00 0.00 H new ATOM 708 N LEU A 50 -0.916 6.686 0.012 1.00 0.00 N ATOM 709 CA LEU A 50 -0.614 6.280 1.397 1.00 0.00 C ATOM 710 C LEU A 50 -0.803 7.508 2.297 1.00 0.00 C ATOM 711 O LEU A 50 -0.880 8.623 1.820 1.00 0.00 O ATOM 712 CB LEU A 50 0.841 5.802 1.404 1.00 0.00 C ATOM 713 CG LEU A 50 1.395 5.677 2.820 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.863 4.397 3.457 1.00 0.00 C ATOM 715 CD2 LEU A 50 2.916 5.611 2.729 1.00 0.00 C ATOM 0 H LEU A 50 -0.114 6.683 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.263 5.483 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.908 4.837 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.455 6.500 0.835 1.00 0.00 H new ATOM 0 HG LEU A 50 1.091 6.530 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.256 4.304 4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.226 4.434 3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.178 3.538 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.337 5.521 3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.208 4.746 2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.292 6.519 2.257 1.00 0.00 H new ATOM 727 N SER A 51 -0.853 7.332 3.584 1.00 0.00 N ATOM 728 CA SER A 51 -1.005 8.504 4.486 1.00 0.00 C ATOM 729 C SER A 51 0.181 8.483 5.437 1.00 0.00 C ATOM 730 O SER A 51 0.829 9.480 5.686 1.00 0.00 O ATOM 731 CB SER A 51 -2.302 8.414 5.302 1.00 0.00 C ATOM 732 OG SER A 51 -2.961 9.672 5.277 1.00 0.00 O ATOM 0 H SER A 51 -0.795 6.427 4.052 1.00 0.00 H new ATOM 0 HA SER A 51 -1.045 9.422 3.899 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.952 7.642 4.890 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.079 8.128 6.330 1.00 0.00 H new ATOM 0 HG SER A 51 -3.791 9.617 5.796 1.00 0.00 H new ATOM 738 N HIS A 52 0.475 7.323 5.946 1.00 0.00 N ATOM 739 CA HIS A 52 1.624 7.161 6.864 1.00 0.00 C ATOM 740 C HIS A 52 2.007 5.687 6.892 1.00 0.00 C ATOM 741 O HIS A 52 1.224 4.821 6.544 1.00 0.00 O ATOM 742 CB HIS A 52 1.247 7.610 8.275 1.00 0.00 C ATOM 743 CG HIS A 52 0.226 6.666 8.841 1.00 0.00 C ATOM 744 ND1 HIS A 52 0.292 6.200 10.146 1.00 0.00 N ATOM 745 CD2 HIS A 52 -0.884 6.079 8.288 1.00 0.00 C ATOM 746 CE1 HIS A 52 -0.751 5.370 10.332 1.00 0.00 C ATOM 747 NE2 HIS A 52 -1.499 5.262 9.233 1.00 0.00 N ATOM 0 H HIS A 52 -0.045 6.466 5.759 1.00 0.00 H new ATOM 0 HA HIS A 52 2.458 7.771 6.517 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.132 7.630 8.911 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.848 8.624 8.252 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.228 6.228 7.275 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.957 4.854 11.258 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.342 4.701 9.111 1.00 0.00 H new ATOM 755 N PHE A 53 3.202 5.399 7.291 1.00 0.00 N ATOM 756 CA PHE A 53 3.651 3.982 7.337 1.00 0.00 C ATOM 757 C PHE A 53 3.060 3.284 8.563 1.00 0.00 C ATOM 758 O PHE A 53 2.921 3.863 9.623 1.00 0.00 O ATOM 759 CB PHE A 53 5.177 3.936 7.395 1.00 0.00 C ATOM 760 CG PHE A 53 5.727 4.314 6.043 1.00 0.00 C ATOM 761 CD1 PHE A 53 5.684 5.646 5.620 1.00 0.00 C ATOM 762 CD2 PHE A 53 6.275 3.331 5.210 1.00 0.00 C ATOM 763 CE1 PHE A 53 6.188 5.998 4.365 1.00 0.00 C ATOM 764 CE2 PHE A 53 6.781 3.682 3.953 1.00 0.00 C ATOM 765 CZ PHE A 53 6.737 5.017 3.530 1.00 0.00 C ATOM 0 H PHE A 53 3.896 6.084 7.590 1.00 0.00 H new ATOM 0 HA PHE A 53 3.307 3.465 6.441 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.546 4.622 8.158 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.514 2.938 7.674 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.261 6.403 6.264 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.307 2.302 5.537 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.154 7.027 4.039 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.205 2.925 3.310 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.126 5.289 2.560 1.00 0.00 H new ATOM 775 N GLY A 54 2.714 2.039 8.414 1.00 0.00 N ATOM 776 CA GLY A 54 2.127 1.264 9.550 1.00 0.00 C ATOM 777 C GLY A 54 0.609 1.160 9.381 1.00 0.00 C ATOM 778 O GLY A 54 0.066 1.465 8.337 1.00 0.00 O ATOM 0 H GLY A 54 2.812 1.515 7.545 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.567 0.267 9.587 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.364 1.752 10.495 1.00 0.00 H new ATOM 782 N LYS A 55 -0.078 0.737 10.407 1.00 0.00 N ATOM 783 CA LYS A 55 -1.561 0.620 10.318 1.00 0.00 C ATOM 784 C LYS A 55 -2.203 1.933 10.768 1.00 0.00 C ATOM 785 O LYS A 55 -1.794 2.535 11.742 1.00 0.00 O ATOM 786 CB LYS A 55 -2.064 -0.519 11.218 1.00 0.00 C ATOM 787 CG LYS A 55 -0.899 -1.426 11.635 1.00 0.00 C ATOM 788 CD LYS A 55 -1.407 -2.857 11.818 1.00 0.00 C ATOM 789 CE LYS A 55 -2.307 -2.927 13.052 1.00 0.00 C ATOM 790 NZ LYS A 55 -1.797 -1.993 14.095 1.00 0.00 N ATOM 0 H LYS A 55 0.325 0.467 11.304 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.834 0.405 9.285 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.546 -0.105 12.104 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.817 -1.103 10.689 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.116 -1.401 10.878 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.457 -1.064 12.563 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.960 -3.173 10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.566 -3.541 11.930 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.330 -2.665 12.784 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.330 -3.945 13.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.227 -2.228 15.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.763 -2.081 14.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.044 -1.016 13.837 1.00 0.00 H new ATOM 804 N CYS A 56 -3.208 2.381 10.067 1.00 0.00 N ATOM 805 CA CYS A 56 -3.880 3.653 10.454 1.00 0.00 C ATOM 806 C CYS A 56 -4.723 3.422 11.710 1.00 0.00 C ATOM 807 O CYS A 56 -5.746 2.766 11.602 1.00 0.00 O ATOM 808 CB CYS A 56 -4.786 4.116 9.312 1.00 0.00 C ATOM 809 SG CYS A 56 -4.241 5.741 8.732 1.00 0.00 S ATOM 810 OXT CYS A 56 -4.330 3.905 12.760 1.00 0.00 O ATOM 0 H CYS A 56 -3.593 1.921 9.242 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.128 4.416 10.656 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.755 3.396 8.494 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.820 4.167 9.652 1.00 0.00 H new TER 815 CYS A 56