USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 476 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 212 CYS SG : rot 10:sc= -1.47 USER MOD Set 1.2: A 242 CYS SG : rot 102:sc= -0.0702 USER MOD Set 2.1: A 199 CYS SG : rot -108:sc= 0.972! USER MOD Set 2.2: A 226 CYS SG : rot 120:sc= 0.736 USER MOD Single : A 187 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 189 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 194 ASN : amide:sc= -0.0525 X(o=-0.052,f=-0.052) USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.0836 X(o=-0.084,f=-0.18) USER MOD Single : A 203 GLN : amide:sc= 0.272 X(o=0.27,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 209 MET CE :methyl -179:sc= 0 (180deg=-0.00242) USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD Single : A 223 HIS :FLIP no HD1:sc= -0.0543 F(o=-0.59,f=-0.054) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 THR OG1 : rot 180:sc= -0.05 USER MOD Single : A 232 LYS NZ :NH3+ -124:sc= -0.041 (180deg=-1.22) USER MOD Single : A 236 LYS NZ :NH3+ -153:sc= 0.276 (180deg=-0.917) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 247 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0161) USER MOD Single : A 248 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0379) USER MOD Single : A 249 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 187 -7.237 17.410 -6.254 1.00 0.00 N ATOM 2 CA MET A 187 -6.697 17.120 -7.596 1.00 0.00 C ATOM 3 C MET A 187 -7.860 16.918 -8.569 1.00 0.00 C ATOM 4 O MET A 187 -8.728 16.085 -8.314 1.00 0.00 O ATOM 5 CB MET A 187 -5.746 15.909 -7.546 1.00 0.00 C ATOM 6 CG MET A 187 -4.562 16.057 -8.507 1.00 0.00 C ATOM 7 SD MET A 187 -4.961 16.019 -10.271 1.00 0.00 S ATOM 8 CE MET A 187 -3.316 16.316 -10.964 1.00 0.00 C ATOM 0 HA MET A 187 -6.103 17.962 -7.953 1.00 0.00 H new ATOM 0 HB2 MET A 187 -5.372 15.785 -6.530 1.00 0.00 H new ATOM 0 HB3 MET A 187 -6.301 15.004 -7.794 1.00 0.00 H new ATOM 0 HG2 MET A 187 -4.059 16.999 -8.289 1.00 0.00 H new ATOM 0 HG3 MET A 187 -3.849 15.259 -8.299 1.00 0.00 H new ATOM 0 HE1 MET A 187 -3.376 16.325 -12.052 1.00 0.00 H new ATOM 0 HE2 MET A 187 -2.942 17.278 -10.613 1.00 0.00 H new ATOM 0 HE3 MET A 187 -2.638 15.524 -10.644 1.00 0.00 H new ATOM 20 N ASP A 188 -7.904 17.724 -9.639 1.00 0.00 N ATOM 21 CA ASP A 188 -8.973 17.689 -10.637 1.00 0.00 C ATOM 22 C ASP A 188 -8.758 16.546 -11.639 1.00 0.00 C ATOM 23 O ASP A 188 -7.630 16.270 -12.046 1.00 0.00 O ATOM 24 CB ASP A 188 -9.028 19.052 -11.350 1.00 0.00 C ATOM 25 CG ASP A 188 -10.199 19.177 -12.331 1.00 0.00 C ATOM 26 OD1 ASP A 188 -11.303 18.699 -11.986 1.00 0.00 O ATOM 27 OD2 ASP A 188 -9.973 19.762 -13.413 1.00 0.00 O ATOM 0 H ASP A 188 -7.189 18.425 -9.835 1.00 0.00 H new ATOM 0 HA ASP A 188 -9.926 17.501 -10.142 1.00 0.00 H new ATOM 0 HB2 ASP A 188 -9.103 19.842 -10.603 1.00 0.00 H new ATOM 0 HB3 ASP A 188 -8.094 19.210 -11.888 1.00 0.00 H new ATOM 32 N MET A 189 -9.864 15.922 -12.067 1.00 0.00 N ATOM 33 CA MET A 189 -9.896 14.774 -12.974 1.00 0.00 C ATOM 34 C MET A 189 -10.901 15.058 -14.112 1.00 0.00 C ATOM 35 O MET A 189 -11.977 14.460 -14.146 1.00 0.00 O ATOM 36 CB MET A 189 -10.199 13.484 -12.175 1.00 0.00 C ATOM 37 CG MET A 189 -8.934 12.768 -11.683 1.00 0.00 C ATOM 38 SD MET A 189 -8.099 13.503 -10.254 1.00 0.00 S ATOM 39 CE MET A 189 -6.599 12.491 -10.229 1.00 0.00 C ATOM 0 H MET A 189 -10.796 16.218 -11.777 1.00 0.00 H new ATOM 0 HA MET A 189 -8.925 14.616 -13.444 1.00 0.00 H new ATOM 0 HB2 MET A 189 -10.824 13.733 -11.318 1.00 0.00 H new ATOM 0 HB3 MET A 189 -10.774 12.803 -12.802 1.00 0.00 H new ATOM 0 HG2 MET A 189 -9.198 11.740 -11.433 1.00 0.00 H new ATOM 0 HG3 MET A 189 -8.224 12.723 -12.508 1.00 0.00 H new ATOM 0 HE1 MET A 189 -5.960 12.807 -9.404 1.00 0.00 H new ATOM 0 HE2 MET A 189 -6.869 11.443 -10.098 1.00 0.00 H new ATOM 0 HE3 MET A 189 -6.063 12.612 -11.170 1.00 0.00 H new ATOM 49 N PRO A 190 -10.599 16.013 -15.019 1.00 0.00 N ATOM 50 CA PRO A 190 -11.542 16.495 -16.029 1.00 0.00 C ATOM 51 C PRO A 190 -11.673 15.569 -17.252 1.00 0.00 C ATOM 52 O PRO A 190 -12.697 15.626 -17.933 1.00 0.00 O ATOM 53 CB PRO A 190 -10.991 17.861 -16.449 1.00 0.00 C ATOM 54 CG PRO A 190 -9.479 17.685 -16.313 1.00 0.00 C ATOM 55 CD PRO A 190 -9.351 16.767 -15.100 1.00 0.00 C ATOM 0 HA PRO A 190 -12.549 16.538 -15.614 1.00 0.00 H new ATOM 0 HB2 PRO A 190 -11.277 18.114 -17.470 1.00 0.00 H new ATOM 0 HB3 PRO A 190 -11.363 18.660 -15.807 1.00 0.00 H new ATOM 0 HG2 PRO A 190 -9.042 17.238 -17.206 1.00 0.00 H new ATOM 0 HG3 PRO A 190 -8.974 18.638 -16.154 1.00 0.00 H new ATOM 0 HD2 PRO A 190 -8.499 16.096 -15.209 1.00 0.00 H new ATOM 0 HD3 PRO A 190 -9.187 17.346 -14.191 1.00 0.00 H new ATOM 63 N VAL A 191 -10.658 14.736 -17.536 1.00 0.00 N ATOM 64 CA VAL A 191 -10.583 13.853 -18.707 1.00 0.00 C ATOM 65 C VAL A 191 -9.917 12.543 -18.251 1.00 0.00 C ATOM 66 O VAL A 191 -8.861 12.147 -18.744 1.00 0.00 O ATOM 67 CB VAL A 191 -9.860 14.533 -19.902 1.00 0.00 C ATOM 68 CG1 VAL A 191 -10.051 13.713 -21.192 1.00 0.00 C ATOM 69 CG2 VAL A 191 -10.360 15.958 -20.208 1.00 0.00 C ATOM 0 H VAL A 191 -9.839 14.658 -16.933 1.00 0.00 H new ATOM 0 HA VAL A 191 -11.580 13.632 -19.089 1.00 0.00 H new ATOM 0 HB VAL A 191 -8.815 14.585 -19.597 1.00 0.00 H new ATOM 0 HG11 VAL A 191 -9.537 14.207 -22.017 1.00 0.00 H new ATOM 0 HG12 VAL A 191 -9.638 12.714 -21.053 1.00 0.00 H new ATOM 0 HG13 VAL A 191 -11.114 13.637 -21.421 1.00 0.00 H new ATOM 0 HG21 VAL A 191 -9.806 16.364 -21.055 1.00 0.00 H new ATOM 0 HG22 VAL A 191 -11.422 15.927 -20.451 1.00 0.00 H new ATOM 0 HG23 VAL A 191 -10.206 16.593 -19.336 1.00 0.00 H new ATOM 79 N ASP A 192 -10.520 11.911 -17.234 1.00 0.00 N ATOM 80 CA ASP A 192 -9.956 10.789 -16.488 1.00 0.00 C ATOM 81 C ASP A 192 -11.069 9.801 -16.088 1.00 0.00 C ATOM 82 O ASP A 192 -12.231 10.204 -15.992 1.00 0.00 O ATOM 83 CB ASP A 192 -9.274 11.348 -15.229 1.00 0.00 C ATOM 84 CG ASP A 192 -8.071 12.240 -15.546 1.00 0.00 C ATOM 85 OD1 ASP A 192 -6.964 11.674 -15.675 1.00 0.00 O ATOM 86 OD2 ASP A 192 -8.279 13.470 -15.648 1.00 0.00 O ATOM 0 H ASP A 192 -11.446 12.180 -16.901 1.00 0.00 H new ATOM 0 HA ASP A 192 -9.233 10.255 -17.105 1.00 0.00 H new ATOM 0 HB2 ASP A 192 -10.001 11.920 -14.652 1.00 0.00 H new ATOM 0 HB3 ASP A 192 -8.949 10.519 -14.600 1.00 0.00 H new ATOM 91 N PRO A 193 -10.741 8.519 -15.823 1.00 0.00 N ATOM 92 CA PRO A 193 -11.719 7.515 -15.413 1.00 0.00 C ATOM 93 C PRO A 193 -12.245 7.767 -13.994 1.00 0.00 C ATOM 94 O PRO A 193 -11.580 8.390 -13.165 1.00 0.00 O ATOM 95 CB PRO A 193 -10.990 6.169 -15.513 1.00 0.00 C ATOM 96 CG PRO A 193 -9.527 6.541 -15.282 1.00 0.00 C ATOM 97 CD PRO A 193 -9.419 7.917 -15.938 1.00 0.00 C ATOM 0 HA PRO A 193 -12.603 7.543 -16.051 1.00 0.00 H new ATOM 0 HB2 PRO A 193 -11.348 5.462 -14.765 1.00 0.00 H new ATOM 0 HB3 PRO A 193 -11.137 5.704 -16.488 1.00 0.00 H new ATOM 0 HG2 PRO A 193 -9.282 6.579 -14.221 1.00 0.00 H new ATOM 0 HG3 PRO A 193 -8.849 5.820 -15.740 1.00 0.00 H new ATOM 0 HD2 PRO A 193 -8.667 8.529 -15.441 1.00 0.00 H new ATOM 0 HD3 PRO A 193 -9.119 7.829 -16.982 1.00 0.00 H new ATOM 105 N ASN A 194 -13.436 7.219 -13.718 1.00 0.00 N ATOM 106 CA ASN A 194 -14.130 7.308 -12.433 1.00 0.00 C ATOM 107 C ASN A 194 -13.942 6.004 -11.629 1.00 0.00 C ATOM 108 O ASN A 194 -14.847 5.563 -10.920 1.00 0.00 O ATOM 109 CB ASN A 194 -15.602 7.673 -12.712 1.00 0.00 C ATOM 110 CG ASN A 194 -16.358 8.125 -11.462 1.00 0.00 C ATOM 111 OD1 ASN A 194 -17.287 7.461 -11.012 1.00 0.00 O ATOM 112 ND2 ASN A 194 -15.976 9.271 -10.898 1.00 0.00 N ATOM 0 H ASN A 194 -13.959 6.683 -14.411 1.00 0.00 H new ATOM 0 HA ASN A 194 -13.710 8.092 -11.802 1.00 0.00 H new ATOM 0 HB2 ASN A 194 -15.638 8.468 -13.457 1.00 0.00 H new ATOM 0 HB3 ASN A 194 -16.108 6.809 -13.143 1.00 0.00 H new ATOM 0 HD21 ASN A 194 -16.460 9.618 -10.070 1.00 0.00 H new ATOM 0 HD22 ASN A 194 -15.200 9.801 -11.295 1.00 0.00 H new ATOM 119 N GLU A 195 -12.765 5.374 -11.768 1.00 0.00 N ATOM 120 CA GLU A 195 -12.448 4.052 -11.235 1.00 0.00 C ATOM 121 C GLU A 195 -11.054 4.093 -10.575 1.00 0.00 C ATOM 122 O GLU A 195 -10.078 3.634 -11.172 1.00 0.00 O ATOM 123 CB GLU A 195 -12.580 3.014 -12.366 1.00 0.00 C ATOM 124 CG GLU A 195 -12.543 1.575 -11.839 1.00 0.00 C ATOM 125 CD GLU A 195 -12.596 0.558 -12.979 1.00 0.00 C ATOM 126 OE1 GLU A 195 -13.715 0.325 -13.488 1.00 0.00 O ATOM 127 OE2 GLU A 195 -11.516 0.027 -13.323 1.00 0.00 O ATOM 0 H GLU A 195 -11.984 5.792 -12.274 1.00 0.00 H new ATOM 0 HA GLU A 195 -13.147 3.752 -10.454 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -13.515 3.179 -12.901 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -11.772 3.157 -13.084 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -11.634 1.423 -11.257 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -13.384 1.412 -11.165 1.00 0.00 H new ATOM 134 N PRO A 196 -10.928 4.685 -9.367 1.00 0.00 N ATOM 135 CA PRO A 196 -9.661 4.794 -8.648 1.00 0.00 C ATOM 136 C PRO A 196 -9.208 3.418 -8.138 1.00 0.00 C ATOM 137 O PRO A 196 -9.878 2.801 -7.311 1.00 0.00 O ATOM 138 CB PRO A 196 -9.923 5.786 -7.507 1.00 0.00 C ATOM 139 CG PRO A 196 -11.419 5.646 -7.235 1.00 0.00 C ATOM 140 CD PRO A 196 -11.998 5.323 -8.609 1.00 0.00 C ATOM 0 HA PRO A 196 -8.850 5.148 -9.285 1.00 0.00 H new ATOM 0 HB2 PRO A 196 -9.332 5.544 -6.624 1.00 0.00 H new ATOM 0 HB3 PRO A 196 -9.663 6.804 -7.795 1.00 0.00 H new ATOM 0 HG2 PRO A 196 -11.624 4.853 -6.516 1.00 0.00 H new ATOM 0 HG3 PRO A 196 -11.841 6.564 -6.827 1.00 0.00 H new ATOM 0 HD2 PRO A 196 -12.860 4.661 -8.522 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -12.341 6.229 -9.109 1.00 0.00 H new ATOM 148 N THR A 197 -8.064 2.949 -8.655 1.00 0.00 N ATOM 149 CA THR A 197 -7.487 1.627 -8.413 1.00 0.00 C ATOM 150 C THR A 197 -5.960 1.748 -8.458 1.00 0.00 C ATOM 151 O THR A 197 -5.441 2.452 -9.328 1.00 0.00 O ATOM 152 CB THR A 197 -7.964 0.636 -9.489 1.00 0.00 C ATOM 153 OG1 THR A 197 -7.648 1.074 -10.796 1.00 0.00 O ATOM 154 CG2 THR A 197 -9.473 0.372 -9.434 1.00 0.00 C ATOM 0 H THR A 197 -7.491 3.512 -9.284 1.00 0.00 H new ATOM 0 HA THR A 197 -7.805 1.258 -7.438 1.00 0.00 H new ATOM 0 HB THR A 197 -7.431 -0.288 -9.266 1.00 0.00 H new ATOM 0 HG1 THR A 197 -7.967 0.415 -11.448 1.00 0.00 H new ATOM 0 HG21 THR A 197 -9.748 -0.334 -10.217 1.00 0.00 H new ATOM 0 HG22 THR A 197 -9.734 -0.045 -8.461 1.00 0.00 H new ATOM 0 HG23 THR A 197 -10.012 1.308 -9.584 1.00 0.00 H new ATOM 162 N TYR A 198 -5.237 1.090 -7.531 1.00 0.00 N ATOM 163 CA TYR A 198 -3.782 1.281 -7.438 1.00 0.00 C ATOM 164 C TYR A 198 -3.011 0.113 -6.808 1.00 0.00 C ATOM 165 O TYR A 198 -1.964 -0.203 -7.374 1.00 0.00 O ATOM 166 CB TYR A 198 -3.386 2.576 -6.704 1.00 0.00 C ATOM 167 CG TYR A 198 -4.152 3.852 -7.023 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.391 4.114 -6.405 1.00 0.00 C ATOM 169 CD2 TYR A 198 -3.624 4.782 -7.940 1.00 0.00 C ATOM 170 CE1 TYR A 198 -6.104 5.288 -6.698 1.00 0.00 C ATOM 171 CE2 TYR A 198 -4.332 5.959 -8.245 1.00 0.00 C ATOM 172 CZ TYR A 198 -5.578 6.215 -7.626 1.00 0.00 C ATOM 173 OH TYR A 198 -6.270 7.353 -7.921 1.00 0.00 O ATOM 0 H TYR A 198 -5.628 0.437 -6.852 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.489 1.345 -8.486 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.478 2.392 -5.634 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.331 2.763 -6.906 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -5.797 3.405 -5.699 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -2.671 4.591 -8.411 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -7.051 5.482 -6.216 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -3.924 6.667 -8.952 1.00 0.00 H new ATOM 0 HH TYR A 198 -5.767 7.881 -8.576 1.00 0.00 H new ATOM 183 N CYS A 199 -3.463 -0.544 -5.708 1.00 0.00 N ATOM 184 CA CYS A 199 -2.767 -1.759 -5.235 1.00 0.00 C ATOM 185 C CYS A 199 -2.576 -2.800 -6.348 1.00 0.00 C ATOM 186 O CYS A 199 -3.132 -2.719 -7.444 1.00 0.00 O ATOM 187 CB CYS A 199 -3.340 -2.449 -3.967 1.00 0.00 C ATOM 188 SG CYS A 199 -1.890 -3.098 -3.056 1.00 0.00 S ATOM 0 H CYS A 199 -4.273 -0.264 -5.155 1.00 0.00 H new ATOM 0 HA CYS A 199 -1.803 -1.355 -4.927 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.901 -1.742 -3.356 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -4.026 -3.253 -4.235 1.00 0.00 H new ATOM 0 HG CYS A 199 -1.860 -4.394 -3.155 1.00 0.00 H new ATOM 193 N LEU A 200 -1.836 -3.848 -5.990 1.00 0.00 N ATOM 194 CA LEU A 200 -1.630 -5.054 -6.787 1.00 0.00 C ATOM 195 C LEU A 200 -2.951 -5.801 -7.017 1.00 0.00 C ATOM 196 O LEU A 200 -2.987 -6.780 -7.759 1.00 0.00 O ATOM 197 CB LEU A 200 -0.613 -5.985 -6.091 1.00 0.00 C ATOM 198 CG LEU A 200 0.579 -5.285 -5.406 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.452 -6.319 -4.683 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.442 -4.482 -6.391 1.00 0.00 C ATOM 0 H LEU A 200 -1.343 -3.880 -5.098 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.236 -4.752 -7.758 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -1.142 -6.575 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -0.223 -6.684 -6.831 1.00 0.00 H new ATOM 0 HG LEU A 200 0.161 -4.579 -4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.291 -5.815 -4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 200 0.857 -6.833 -3.928 1.00 0.00 H new ATOM 0 HD13 LEU A 200 1.829 -7.044 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.265 -4.011 -5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 200 1.842 -5.151 -7.153 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.832 -3.713 -6.866 1.00 0.00 H new ATOM 212 N CYS A 201 -4.029 -5.330 -6.371 1.00 0.00 N ATOM 213 CA CYS A 201 -5.363 -5.851 -6.453 1.00 0.00 C ATOM 214 C CYS A 201 -6.255 -5.051 -7.412 1.00 0.00 C ATOM 215 O CYS A 201 -7.359 -5.503 -7.715 1.00 0.00 O ATOM 216 CB CYS A 201 -5.927 -5.724 -5.051 1.00 0.00 C ATOM 217 SG CYS A 201 -5.145 -6.880 -3.896 1.00 0.00 S ATOM 0 H CYS A 201 -3.967 -4.527 -5.745 1.00 0.00 H new ATOM 0 HA CYS A 201 -5.339 -6.874 -6.830 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.785 -4.704 -4.694 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -7.001 -5.907 -5.075 1.00 0.00 H new ATOM 222 N HIS A 202 -5.786 -3.867 -7.845 1.00 0.00 N ATOM 223 CA HIS A 202 -6.485 -2.883 -8.664 1.00 0.00 C ATOM 224 C HIS A 202 -7.921 -2.635 -8.180 1.00 0.00 C ATOM 225 O HIS A 202 -8.872 -2.670 -8.959 1.00 0.00 O ATOM 226 CB HIS A 202 -6.320 -3.185 -10.165 1.00 0.00 C ATOM 227 CG HIS A 202 -6.835 -4.531 -10.617 1.00 0.00 C ATOM 228 ND1 HIS A 202 -8.144 -4.857 -10.890 1.00 0.00 N ATOM 229 CD2 HIS A 202 -6.090 -5.663 -10.817 1.00 0.00 C ATOM 230 CE1 HIS A 202 -8.180 -6.155 -11.238 1.00 0.00 C ATOM 231 NE2 HIS A 202 -6.950 -6.694 -11.210 1.00 0.00 N ATOM 0 H HIS A 202 -4.842 -3.559 -7.611 1.00 0.00 H new ATOM 0 HA HIS A 202 -6.008 -1.912 -8.530 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -6.834 -2.409 -10.733 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -5.262 -3.117 -10.418 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -5.020 -5.746 -10.692 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -9.078 -6.693 -11.504 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -6.695 -7.657 -11.430 1.00 0.00 H new ATOM 239 N GLN A 203 -8.060 -2.408 -6.865 1.00 0.00 N ATOM 240 CA GLN A 203 -9.310 -2.093 -6.193 1.00 0.00 C ATOM 241 C GLN A 203 -8.963 -1.502 -4.830 1.00 0.00 C ATOM 242 O GLN A 203 -7.956 -1.877 -4.234 1.00 0.00 O ATOM 243 CB GLN A 203 -10.207 -3.341 -6.060 1.00 0.00 C ATOM 244 CG GLN A 203 -9.643 -4.410 -5.113 1.00 0.00 C ATOM 245 CD GLN A 203 -10.338 -5.757 -5.285 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.228 -6.107 -4.516 1.00 0.00 O ATOM 247 NE2 GLN A 203 -9.929 -6.529 -6.292 1.00 0.00 N ATOM 0 H GLN A 203 -7.268 -2.442 -6.224 1.00 0.00 H new ATOM 0 HA GLN A 203 -9.881 -1.372 -6.777 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.190 -3.034 -5.703 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.350 -3.782 -7.047 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.575 -4.528 -5.296 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.754 -4.075 -4.082 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -9.186 -6.207 -6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.359 -7.442 -6.442 1.00 0.00 H new ATOM 256 N VAL A 204 -9.815 -0.589 -4.366 1.00 0.00 N ATOM 257 CA VAL A 204 -9.725 0.157 -3.096 1.00 0.00 C ATOM 258 C VAL A 204 -11.100 0.183 -2.390 1.00 0.00 C ATOM 259 O VAL A 204 -12.101 -0.253 -2.957 1.00 0.00 O ATOM 260 CB VAL A 204 -9.119 1.578 -3.291 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.354 2.040 -2.027 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.157 1.670 -4.486 1.00 0.00 C ATOM 0 H VAL A 204 -10.645 -0.328 -4.898 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.030 -0.368 -2.441 1.00 0.00 H new ATOM 0 HB VAL A 204 -9.974 2.226 -3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -7.943 3.035 -2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.037 2.068 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -7.543 1.343 -1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -7.771 2.686 -4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.328 0.977 -4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -8.689 1.412 -5.402 1.00 0.00 H new ATOM 272 N SER A 205 -11.137 0.679 -1.140 1.00 0.00 N ATOM 273 CA SER A 205 -12.292 0.681 -0.232 1.00 0.00 C ATOM 274 C SER A 205 -12.788 -0.738 0.115 1.00 0.00 C ATOM 275 O SER A 205 -13.889 -1.142 -0.257 1.00 0.00 O ATOM 276 CB SER A 205 -13.385 1.632 -0.747 1.00 0.00 C ATOM 277 OG SER A 205 -14.333 1.894 0.266 1.00 0.00 O ATOM 0 H SER A 205 -10.316 1.112 -0.716 1.00 0.00 H new ATOM 0 HA SER A 205 -11.967 1.080 0.729 1.00 0.00 H new ATOM 0 HB2 SER A 205 -12.934 2.566 -1.081 1.00 0.00 H new ATOM 0 HB3 SER A 205 -13.881 1.191 -1.611 1.00 0.00 H new ATOM 0 HG SER A 205 -15.020 2.502 -0.078 1.00 0.00 H new ATOM 283 N TYR A 206 -11.926 -1.501 0.804 1.00 0.00 N ATOM 284 CA TYR A 206 -12.103 -2.910 1.160 1.00 0.00 C ATOM 285 C TYR A 206 -11.115 -3.253 2.283 1.00 0.00 C ATOM 286 O TYR A 206 -9.903 -3.318 2.068 1.00 0.00 O ATOM 287 CB TYR A 206 -11.934 -3.853 -0.057 1.00 0.00 C ATOM 288 CG TYR A 206 -10.553 -3.957 -0.706 1.00 0.00 C ATOM 289 CD1 TYR A 206 -9.818 -2.795 -0.994 1.00 0.00 C ATOM 290 CD2 TYR A 206 -9.988 -5.214 -1.026 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.540 -2.873 -1.532 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.709 -5.298 -1.619 1.00 0.00 C ATOM 293 CZ TYR A 206 -7.980 -4.111 -1.870 1.00 0.00 C ATOM 294 OH TYR A 206 -6.756 -4.091 -2.469 1.00 0.00 O ATOM 0 H TYR A 206 -11.040 -1.128 1.144 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.125 -3.062 1.507 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.232 -4.854 0.254 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.639 -3.535 -0.825 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.253 -1.827 -0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.540 -6.118 -0.815 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -7.972 -1.969 -1.691 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.291 -6.259 -1.879 1.00 0.00 H new ATOM 304 N GLY A 207 -11.641 -3.442 3.500 1.00 0.00 N ATOM 305 CA GLY A 207 -10.868 -3.649 4.702 1.00 0.00 C ATOM 306 C GLY A 207 -9.935 -2.482 5.008 1.00 0.00 C ATOM 307 O GLY A 207 -10.090 -1.352 4.541 1.00 0.00 O ATOM 0 H GLY A 207 -12.647 -3.453 3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -11.545 -3.799 5.543 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -10.281 -4.561 4.599 1.00 0.00 H new ATOM 311 N GLU A 208 -8.956 -2.830 5.829 1.00 0.00 N ATOM 312 CA GLU A 208 -7.777 -2.042 6.172 1.00 0.00 C ATOM 313 C GLU A 208 -6.875 -1.804 4.943 1.00 0.00 C ATOM 314 O GLU A 208 -6.815 -2.622 4.024 1.00 0.00 O ATOM 315 CB GLU A 208 -7.024 -2.692 7.351 1.00 0.00 C ATOM 316 CG GLU A 208 -6.827 -4.219 7.281 1.00 0.00 C ATOM 317 CD GLU A 208 -8.047 -5.011 7.763 1.00 0.00 C ATOM 318 OE1 GLU A 208 -8.272 -5.025 8.993 1.00 0.00 O ATOM 319 OE2 GLU A 208 -8.740 -5.584 6.892 1.00 0.00 O ATOM 0 H GLU A 208 -8.963 -3.731 6.307 1.00 0.00 H new ATOM 0 HA GLU A 208 -8.101 -1.054 6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -6.043 -2.224 7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -7.562 -2.459 8.270 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -6.602 -4.502 6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -5.962 -4.495 7.884 1.00 0.00 H new ATOM 326 N MET A 209 -6.187 -0.652 4.939 1.00 0.00 N ATOM 327 CA MET A 209 -5.449 -0.075 3.807 1.00 0.00 C ATOM 328 C MET A 209 -4.278 0.765 4.334 1.00 0.00 C ATOM 329 O MET A 209 -4.318 1.233 5.475 1.00 0.00 O ATOM 330 CB MET A 209 -6.417 0.817 3.003 1.00 0.00 C ATOM 331 CG MET A 209 -7.568 0.019 2.369 1.00 0.00 C ATOM 332 SD MET A 209 -8.661 0.946 1.266 1.00 0.00 S ATOM 333 CE MET A 209 -9.523 1.994 2.465 1.00 0.00 C ATOM 0 H MET A 209 -6.128 -0.066 5.772 1.00 0.00 H new ATOM 0 HA MET A 209 -5.054 -0.865 3.168 1.00 0.00 H new ATOM 0 HB2 MET A 209 -6.829 1.583 3.660 1.00 0.00 H new ATOM 0 HB3 MET A 209 -5.863 1.334 2.219 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.142 -0.814 1.810 1.00 0.00 H new ATOM 0 HG3 MET A 209 -8.171 -0.410 3.170 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.250 2.618 1.946 1.00 0.00 H new ATOM 0 HE2 MET A 209 -10.037 1.367 3.193 1.00 0.00 H new ATOM 0 HE3 MET A 209 -8.801 2.629 2.979 1.00 0.00 H new ATOM 343 N ILE A 210 -3.235 0.958 3.510 1.00 0.00 N ATOM 344 CA ILE A 210 -2.014 1.657 3.891 1.00 0.00 C ATOM 345 C ILE A 210 -1.574 2.515 2.699 1.00 0.00 C ATOM 346 O ILE A 210 -2.392 3.216 2.105 1.00 0.00 O ATOM 347 CB ILE A 210 -0.981 0.650 4.493 1.00 0.00 C ATOM 348 CG1 ILE A 210 0.232 1.267 5.234 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.490 -0.476 3.562 1.00 0.00 C ATOM 350 CD1 ILE A 210 -0.144 2.265 6.334 1.00 0.00 C ATOM 0 H ILE A 210 -3.224 0.624 2.546 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.152 2.363 4.710 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.627 0.193 5.242 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.821 0.463 5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 210 0.871 1.769 4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.221 -1.106 4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.339 -1.079 3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.004 -0.040 2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.762 2.649 6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -0.706 3.091 5.899 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.756 1.765 7.085 1.00 0.00 H new ATOM 362 N GLY A 211 -0.285 2.492 2.388 1.00 0.00 N ATOM 363 CA GLY A 211 0.373 3.348 1.431 1.00 0.00 C ATOM 364 C GLY A 211 1.814 3.631 1.803 1.00 0.00 C ATOM 365 O GLY A 211 2.127 3.950 2.948 1.00 0.00 O ATOM 0 H GLY A 211 0.360 1.835 2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 211 0.340 2.881 0.447 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.171 4.289 1.355 1.00 0.00 H new ATOM 369 N CYS A 212 2.677 3.504 0.788 1.00 0.00 N ATOM 370 CA CYS A 212 4.097 3.810 0.885 1.00 0.00 C ATOM 371 C CYS A 212 4.267 5.305 1.153 1.00 0.00 C ATOM 372 O CYS A 212 3.760 6.133 0.396 1.00 0.00 O ATOM 373 CB CYS A 212 4.862 3.378 -0.378 1.00 0.00 C ATOM 374 SG CYS A 212 6.615 3.810 -0.173 1.00 0.00 S ATOM 0 H CYS A 212 2.396 3.179 -0.137 1.00 0.00 H new ATOM 0 HA CYS A 212 4.524 3.244 1.713 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.753 2.305 -0.537 1.00 0.00 H new ATOM 0 HB3 CYS A 212 4.451 3.874 -1.257 1.00 0.00 H new ATOM 0 HG CYS A 212 6.830 4.179 1.055 1.00 0.00 H new ATOM 379 N ASP A 213 5.017 5.623 2.216 1.00 0.00 N ATOM 380 CA ASP A 213 5.364 6.981 2.623 1.00 0.00 C ATOM 381 C ASP A 213 6.171 7.786 1.585 1.00 0.00 C ATOM 382 O ASP A 213 6.373 8.980 1.801 1.00 0.00 O ATOM 383 CB ASP A 213 6.145 6.906 3.941 1.00 0.00 C ATOM 384 CG ASP A 213 5.245 6.658 5.152 1.00 0.00 C ATOM 385 OD1 ASP A 213 4.667 5.552 5.241 1.00 0.00 O ATOM 386 OD2 ASP A 213 5.184 7.575 5.999 1.00 0.00 O ATOM 0 H ASP A 213 5.410 4.914 2.834 1.00 0.00 H new ATOM 0 HA ASP A 213 4.424 7.522 2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.884 6.108 3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 213 6.693 7.837 4.086 1.00 0.00 H new ATOM 391 N ASP A 214 6.623 7.173 0.479 1.00 0.00 N ATOM 392 CA ASP A 214 7.238 7.864 -0.644 1.00 0.00 C ATOM 393 C ASP A 214 6.156 8.687 -1.366 1.00 0.00 C ATOM 394 O ASP A 214 5.239 8.088 -1.936 1.00 0.00 O ATOM 395 CB ASP A 214 7.868 6.808 -1.569 1.00 0.00 C ATOM 396 CG ASP A 214 8.468 7.366 -2.861 1.00 0.00 C ATOM 397 OD1 ASP A 214 8.836 8.561 -2.874 1.00 0.00 O ATOM 398 OD2 ASP A 214 8.548 6.570 -3.821 1.00 0.00 O ATOM 0 H ASP A 214 6.566 6.163 0.347 1.00 0.00 H new ATOM 0 HA ASP A 214 8.021 8.549 -0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 214 8.649 6.283 -1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 214 7.108 6.070 -1.826 1.00 0.00 H new ATOM 403 N PRO A 215 6.235 10.035 -1.372 1.00 0.00 N ATOM 404 CA PRO A 215 5.249 10.897 -2.024 1.00 0.00 C ATOM 405 C PRO A 215 5.434 10.973 -3.548 1.00 0.00 C ATOM 406 O PRO A 215 4.729 11.731 -4.212 1.00 0.00 O ATOM 407 CB PRO A 215 5.439 12.264 -1.360 1.00 0.00 C ATOM 408 CG PRO A 215 6.949 12.305 -1.131 1.00 0.00 C ATOM 409 CD PRO A 215 7.278 10.857 -0.768 1.00 0.00 C ATOM 0 HA PRO A 215 4.238 10.509 -1.900 1.00 0.00 H new ATOM 0 HB2 PRO A 215 5.102 13.078 -2.001 1.00 0.00 H new ATOM 0 HB3 PRO A 215 4.883 12.344 -0.426 1.00 0.00 H new ATOM 0 HG2 PRO A 215 7.484 12.630 -2.023 1.00 0.00 H new ATOM 0 HG3 PRO A 215 7.218 12.994 -0.330 1.00 0.00 H new ATOM 0 HD2 PRO A 215 8.261 10.576 -1.145 1.00 0.00 H new ATOM 0 HD3 PRO A 215 7.301 10.723 0.314 1.00 0.00 H new ATOM 417 N ASP A 216 6.359 10.171 -4.091 1.00 0.00 N ATOM 418 CA ASP A 216 6.619 10.007 -5.514 1.00 0.00 C ATOM 419 C ASP A 216 6.376 8.545 -5.928 1.00 0.00 C ATOM 420 O ASP A 216 6.609 8.197 -7.086 1.00 0.00 O ATOM 421 CB ASP A 216 8.045 10.499 -5.816 1.00 0.00 C ATOM 422 CG ASP A 216 8.325 10.647 -7.314 1.00 0.00 C ATOM 423 OD1 ASP A 216 7.605 11.444 -7.954 1.00 0.00 O ATOM 424 OD2 ASP A 216 9.266 9.976 -7.794 1.00 0.00 O ATOM 0 H ASP A 216 6.972 9.594 -3.516 1.00 0.00 H new ATOM 0 HA ASP A 216 5.932 10.609 -6.109 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.203 11.460 -5.326 1.00 0.00 H new ATOM 0 HB3 ASP A 216 8.763 9.801 -5.386 1.00 0.00 H new ATOM 429 N CYS A 217 5.872 7.692 -5.012 1.00 0.00 N ATOM 430 CA CYS A 217 5.429 6.351 -5.361 1.00 0.00 C ATOM 431 C CYS A 217 4.312 6.428 -6.410 1.00 0.00 C ATOM 432 O CYS A 217 3.333 7.156 -6.243 1.00 0.00 O ATOM 433 CB CYS A 217 4.940 5.636 -4.103 1.00 0.00 C ATOM 434 SG CYS A 217 4.570 3.904 -4.486 1.00 0.00 S ATOM 0 H CYS A 217 5.767 7.922 -4.024 1.00 0.00 H new ATOM 0 HA CYS A 217 6.260 5.788 -5.785 1.00 0.00 H new ATOM 0 HB2 CYS A 217 5.700 5.691 -3.324 1.00 0.00 H new ATOM 0 HB3 CYS A 217 4.049 6.131 -3.715 1.00 0.00 H new ATOM 440 N SER A 218 4.466 5.633 -7.474 1.00 0.00 N ATOM 441 CA SER A 218 3.582 5.588 -8.646 1.00 0.00 C ATOM 442 C SER A 218 2.237 4.888 -8.372 1.00 0.00 C ATOM 443 O SER A 218 1.465 4.659 -9.303 1.00 0.00 O ATOM 444 CB SER A 218 4.310 4.874 -9.797 1.00 0.00 C ATOM 445 OG SER A 218 5.562 5.473 -10.062 1.00 0.00 O ATOM 0 H SER A 218 5.242 4.975 -7.546 1.00 0.00 H new ATOM 0 HA SER A 218 3.347 6.619 -8.910 1.00 0.00 H new ATOM 0 HB2 SER A 218 4.453 3.824 -9.544 1.00 0.00 H new ATOM 0 HB3 SER A 218 3.693 4.904 -10.695 1.00 0.00 H new ATOM 0 HG SER A 218 6.003 4.998 -10.797 1.00 0.00 H new ATOM 451 N ILE A 219 1.975 4.529 -7.107 1.00 0.00 N ATOM 452 CA ILE A 219 0.874 3.690 -6.654 1.00 0.00 C ATOM 453 C ILE A 219 0.232 4.312 -5.398 1.00 0.00 C ATOM 454 O ILE A 219 -0.992 4.311 -5.280 1.00 0.00 O ATOM 455 CB ILE A 219 1.440 2.277 -6.369 1.00 0.00 C ATOM 456 CG1 ILE A 219 2.094 1.569 -7.578 1.00 0.00 C ATOM 457 CG2 ILE A 219 0.369 1.385 -5.738 1.00 0.00 C ATOM 458 CD1 ILE A 219 1.134 1.183 -8.706 1.00 0.00 C ATOM 0 H ILE A 219 2.564 4.838 -6.334 1.00 0.00 H new ATOM 0 HA ILE A 219 0.096 3.616 -7.413 1.00 0.00 H new ATOM 0 HB ILE A 219 2.256 2.440 -5.666 1.00 0.00 H new ATOM 0 HG12 ILE A 219 2.866 2.222 -7.987 1.00 0.00 H new ATOM 0 HG13 ILE A 219 2.594 0.667 -7.224 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.786 0.397 -5.545 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.034 1.827 -4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.477 1.295 -6.419 1.00 0.00 H new ATOM 0 HD11 ILE A 219 1.690 0.693 -9.505 1.00 0.00 H new ATOM 0 HD12 ILE A 219 0.376 0.501 -8.321 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.652 2.079 -9.096 1.00 0.00 H new ATOM 470 N GLU A 220 1.064 4.886 -4.514 1.00 0.00 N ATOM 471 CA GLU A 220 0.729 5.695 -3.333 1.00 0.00 C ATOM 472 C GLU A 220 0.079 4.926 -2.163 1.00 0.00 C ATOM 473 O GLU A 220 0.502 5.128 -1.027 1.00 0.00 O ATOM 474 CB GLU A 220 -0.006 6.991 -3.764 1.00 0.00 C ATOM 475 CG GLU A 220 -1.422 7.233 -3.207 1.00 0.00 C ATOM 476 CD GLU A 220 -1.439 7.642 -1.729 1.00 0.00 C ATOM 477 OE1 GLU A 220 -0.737 8.622 -1.394 1.00 0.00 O ATOM 478 OE2 GLU A 220 -2.167 6.982 -0.957 1.00 0.00 O ATOM 0 H GLU A 220 2.074 4.787 -4.617 1.00 0.00 H new ATOM 0 HA GLU A 220 1.672 5.996 -2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 220 0.616 7.839 -3.478 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.069 6.994 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -1.907 8.011 -3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.012 6.325 -3.331 1.00 0.00 H new ATOM 485 N TRP A 221 -0.878 4.024 -2.424 1.00 0.00 N ATOM 486 CA TRP A 221 -1.636 3.247 -1.441 1.00 0.00 C ATOM 487 C TRP A 221 -1.509 1.761 -1.789 1.00 0.00 C ATOM 488 O TRP A 221 -1.410 1.381 -2.956 1.00 0.00 O ATOM 489 CB TRP A 221 -3.091 3.726 -1.365 1.00 0.00 C ATOM 490 CG TRP A 221 -4.051 2.838 -2.039 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.418 2.910 -3.326 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.611 1.616 -1.503 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.094 1.756 -3.656 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.194 0.898 -2.580 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.577 1.005 -0.234 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -5.694 -0.399 -2.412 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.122 -0.275 -0.053 1.00 0.00 C ATOM 498 CH2 TRP A 221 -5.643 -0.990 -1.139 1.00 0.00 C ATOM 0 H TRP A 221 -1.157 3.807 -3.381 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.226 3.397 -0.442 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.376 3.823 -0.317 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.159 4.720 -1.808 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.217 3.735 -3.993 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.474 1.560 -4.582 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.130 1.523 0.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.113 -0.937 -3.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.140 -0.714 0.934 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -6.006 -1.997 -0.997 1.00 0.00 H new ATOM 509 N PHE A 222 -1.537 0.912 -0.760 1.00 0.00 N ATOM 510 CA PHE A 222 -1.289 -0.520 -0.874 1.00 0.00 C ATOM 511 C PHE A 222 -2.104 -1.232 0.192 1.00 0.00 C ATOM 512 O PHE A 222 -2.442 -0.651 1.220 1.00 0.00 O ATOM 513 CB PHE A 222 0.195 -0.828 -0.630 1.00 0.00 C ATOM 514 CG PHE A 222 1.123 -0.385 -1.738 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.560 0.950 -1.793 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.534 -1.301 -2.724 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.379 1.383 -2.843 1.00 0.00 C ATOM 518 CE2 PHE A 222 2.379 -0.878 -3.763 1.00 0.00 C ATOM 519 CZ PHE A 222 2.800 0.462 -3.816 1.00 0.00 C ATOM 0 H PHE A 222 -1.737 1.211 0.195 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.566 -0.853 -1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.504 -0.347 0.298 1.00 0.00 H new ATOM 0 HB3 PHE A 222 0.310 -1.902 -0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.263 1.645 -1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 222 1.200 -2.327 -2.682 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.685 2.417 -2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.704 -1.579 -4.518 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.453 0.786 -4.612 1.00 0.00 H new ATOM 529 N HIS A 223 -2.414 -2.504 -0.056 1.00 0.00 N ATOM 530 CA HIS A 223 -3.305 -3.261 0.797 1.00 0.00 C ATOM 531 C HIS A 223 -2.545 -3.845 1.985 1.00 0.00 C ATOM 532 O HIS A 223 -1.392 -4.264 1.870 1.00 0.00 O ATOM 533 CB HIS A 223 -4.013 -4.318 -0.058 1.00 0.00 C ATOM 534 CG HIS A 223 -5.285 -4.873 0.521 1.00 0.00 C ATOM 535 ND1 HIS A 223 -6.216 -4.188 1.250 1.00 0.00 N flip ATOM 536 CD2 HIS A 223 -5.740 -6.171 0.295 1.00 0.00 C flip ATOM 537 CE1 HIS A 223 -7.230 -5.073 1.514 1.00 0.00 C flip ATOM 538 NE2 HIS A 223 -6.917 -6.248 0.939 1.00 0.00 N flip ATOM 0 H HIS A 223 -2.052 -3.029 -0.852 1.00 0.00 H new ATOM 0 HA HIS A 223 -4.070 -2.616 1.230 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.237 -3.882 -1.031 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.322 -5.143 -0.230 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -5.252 -6.948 -0.275 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -8.123 -4.863 2.084 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -7.496 -7.086 0.986 1.00 0.00 H new ATOM 546 N PHE A 224 -3.248 -3.895 3.117 1.00 0.00 N ATOM 547 CA PHE A 224 -2.837 -4.558 4.358 1.00 0.00 C ATOM 548 C PHE A 224 -2.622 -6.075 4.215 1.00 0.00 C ATOM 549 O PHE A 224 -2.177 -6.708 5.168 1.00 0.00 O ATOM 550 CB PHE A 224 -3.882 -4.275 5.452 1.00 0.00 C ATOM 551 CG PHE A 224 -3.434 -3.365 6.579 1.00 0.00 C ATOM 552 CD1 PHE A 224 -3.216 -1.997 6.337 1.00 0.00 C ATOM 553 CD2 PHE A 224 -3.312 -3.866 7.890 1.00 0.00 C ATOM 554 CE1 PHE A 224 -2.897 -1.133 7.400 1.00 0.00 C ATOM 555 CE2 PHE A 224 -2.993 -3.002 8.952 1.00 0.00 C ATOM 556 CZ PHE A 224 -2.790 -1.634 8.707 1.00 0.00 C ATOM 0 H PHE A 224 -4.164 -3.453 3.199 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.866 -4.144 4.629 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.760 -3.833 4.982 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -4.195 -5.226 5.882 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -3.294 -1.609 5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -3.464 -4.918 8.080 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -2.734 -0.082 7.210 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -2.904 -3.390 9.956 1.00 0.00 H new ATOM 0 HZ PHE A 224 -2.552 -0.968 9.523 1.00 0.00 H new ATOM 566 N ALA A 225 -2.896 -6.657 3.040 1.00 0.00 N ATOM 567 CA ALA A 225 -2.589 -8.037 2.714 1.00 0.00 C ATOM 568 C ALA A 225 -1.743 -8.157 1.438 1.00 0.00 C ATOM 569 O ALA A 225 -1.299 -9.261 1.126 1.00 0.00 O ATOM 570 CB ALA A 225 -3.887 -8.846 2.642 1.00 0.00 C ATOM 0 H ALA A 225 -3.350 -6.158 2.275 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.971 -8.456 3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.656 -9.883 2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.395 -8.805 3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.535 -8.427 1.872 1.00 0.00 H new ATOM 576 N CYS A 226 -1.460 -7.045 0.735 1.00 0.00 N ATOM 577 CA CYS A 226 -0.478 -7.022 -0.345 1.00 0.00 C ATOM 578 C CYS A 226 0.975 -6.990 0.163 1.00 0.00 C ATOM 579 O CYS A 226 1.897 -7.063 -0.649 1.00 0.00 O ATOM 580 CB CYS A 226 -0.777 -5.860 -1.271 1.00 0.00 C ATOM 581 SG CYS A 226 -2.011 -6.390 -2.489 1.00 0.00 S ATOM 0 H CYS A 226 -1.908 -6.145 0.905 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.567 -7.956 -0.900 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -1.150 -5.009 -0.701 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.133 -5.533 -1.773 1.00 0.00 H new ATOM 0 HG CYS A 226 -3.071 -5.644 -2.386 1.00 0.00 H new ATOM 587 N VAL A 227 1.179 -6.924 1.489 1.00 0.00 N ATOM 588 CA VAL A 227 2.478 -7.099 2.145 1.00 0.00 C ATOM 589 C VAL A 227 2.389 -8.016 3.382 1.00 0.00 C ATOM 590 O VAL A 227 3.412 -8.356 3.975 1.00 0.00 O ATOM 591 CB VAL A 227 3.079 -5.715 2.455 1.00 0.00 C ATOM 592 CG1 VAL A 227 2.410 -5.107 3.692 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.607 -5.757 2.629 1.00 0.00 C ATOM 0 H VAL A 227 0.422 -6.742 2.149 1.00 0.00 H new ATOM 0 HA VAL A 227 3.155 -7.617 1.466 1.00 0.00 H new ATOM 0 HB VAL A 227 2.879 -5.080 1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 227 2.846 -4.129 3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 227 1.341 -4.997 3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 227 2.567 -5.762 4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.976 -4.755 2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 227 4.861 -6.423 3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.068 -6.123 1.711 1.00 0.00 H new ATOM 603 N GLY A 228 1.170 -8.418 3.767 1.00 0.00 N ATOM 604 CA GLY A 228 0.905 -9.267 4.922 1.00 0.00 C ATOM 605 C GLY A 228 0.967 -8.523 6.262 1.00 0.00 C ATOM 606 O GLY A 228 1.519 -9.068 7.218 1.00 0.00 O ATOM 0 H GLY A 228 0.323 -8.151 3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -0.082 -9.717 4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.628 -10.083 4.936 1.00 0.00 H new ATOM 610 N LEU A 229 0.432 -7.292 6.338 1.00 0.00 N ATOM 611 CA LEU A 229 0.284 -6.561 7.602 1.00 0.00 C ATOM 612 C LEU A 229 -0.755 -7.251 8.495 1.00 0.00 C ATOM 613 O LEU A 229 -1.959 -7.101 8.294 1.00 0.00 O ATOM 614 CB LEU A 229 -0.123 -5.087 7.386 1.00 0.00 C ATOM 615 CG LEU A 229 0.952 -4.151 6.816 1.00 0.00 C ATOM 616 CD1 LEU A 229 0.379 -2.738 6.641 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.233 -4.099 7.664 1.00 0.00 C ATOM 0 H LEU A 229 0.092 -6.779 5.525 1.00 0.00 H new ATOM 0 HA LEU A 229 1.259 -6.569 8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -0.982 -5.066 6.716 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -0.454 -4.682 8.342 1.00 0.00 H new ATOM 0 HG LEU A 229 1.239 -4.563 5.849 1.00 0.00 H new ATOM 0 HD11 LEU A 229 1.149 -2.081 6.236 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -0.467 -2.771 5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 229 0.048 -2.357 7.607 1.00 0.00 H new ATOM 0 HD21 LEU A 229 2.948 -3.419 7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 229 1.992 -3.746 8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 229 2.669 -5.096 7.726 1.00 0.00 H new ATOM 629 N THR A 230 -0.272 -7.983 9.509 1.00 0.00 N ATOM 630 CA THR A 230 -1.099 -8.525 10.589 1.00 0.00 C ATOM 631 C THR A 230 -1.597 -7.416 11.540 1.00 0.00 C ATOM 632 O THR A 230 -2.607 -7.602 12.217 1.00 0.00 O ATOM 633 CB THR A 230 -0.311 -9.627 11.325 1.00 0.00 C ATOM 634 OG1 THR A 230 -1.140 -10.278 12.264 1.00 0.00 O ATOM 635 CG2 THR A 230 0.942 -9.118 12.051 1.00 0.00 C ATOM 0 H THR A 230 0.717 -8.216 9.600 1.00 0.00 H new ATOM 0 HA THR A 230 -1.998 -8.971 10.164 1.00 0.00 H new ATOM 0 HB THR A 230 0.021 -10.315 10.548 1.00 0.00 H new ATOM 0 HG1 THR A 230 -0.628 -10.976 12.723 1.00 0.00 H new ATOM 0 HG21 THR A 230 1.441 -9.952 12.544 1.00 0.00 H new ATOM 0 HG22 THR A 230 1.621 -8.664 11.330 1.00 0.00 H new ATOM 0 HG23 THR A 230 0.655 -8.376 12.796 1.00 0.00 H new ATOM 643 N THR A 231 -0.916 -6.259 11.556 1.00 0.00 N ATOM 644 CA THR A 231 -1.298 -5.049 12.281 1.00 0.00 C ATOM 645 C THR A 231 -0.665 -3.818 11.622 1.00 0.00 C ATOM 646 O THR A 231 0.170 -3.931 10.722 1.00 0.00 O ATOM 647 CB THR A 231 -0.907 -5.166 13.771 1.00 0.00 C ATOM 648 OG1 THR A 231 -1.456 -4.112 14.536 1.00 0.00 O ATOM 649 CG2 THR A 231 0.608 -5.224 14.018 1.00 0.00 C ATOM 0 H THR A 231 -0.045 -6.142 11.038 1.00 0.00 H new ATOM 0 HA THR A 231 -2.381 -4.931 12.236 1.00 0.00 H new ATOM 0 HB THR A 231 -1.327 -6.120 14.090 1.00 0.00 H new ATOM 0 HG1 THR A 231 -1.191 -4.216 15.474 1.00 0.00 H new ATOM 0 HG21 THR A 231 0.799 -5.306 15.088 1.00 0.00 H new ATOM 0 HG22 THR A 231 1.027 -6.091 13.507 1.00 0.00 H new ATOM 0 HG23 THR A 231 1.074 -4.317 13.634 1.00 0.00 H new ATOM 657 N LYS A 232 -1.065 -2.639 12.107 1.00 0.00 N ATOM 658 CA LYS A 232 -0.507 -1.349 11.709 1.00 0.00 C ATOM 659 C LYS A 232 0.979 -1.304 12.117 1.00 0.00 C ATOM 660 O LYS A 232 1.267 -1.465 13.303 1.00 0.00 O ATOM 661 CB LYS A 232 -1.325 -0.221 12.354 1.00 0.00 C ATOM 662 CG LYS A 232 -0.896 1.162 11.838 1.00 0.00 C ATOM 663 CD LYS A 232 -1.627 2.342 12.501 1.00 0.00 C ATOM 664 CE LYS A 232 -3.123 2.438 12.161 1.00 0.00 C ATOM 665 NZ LYS A 232 -3.962 1.572 13.014 1.00 0.00 N ATOM 0 H LYS A 232 -1.805 -2.556 12.805 1.00 0.00 H new ATOM 0 HA LYS A 232 -0.562 -1.214 10.629 1.00 0.00 H new ATOM 0 HB2 LYS A 232 -2.384 -0.375 12.145 1.00 0.00 H new ATOM 0 HB3 LYS A 232 -1.205 -0.258 13.437 1.00 0.00 H new ATOM 0 HG2 LYS A 232 0.176 1.279 11.997 1.00 0.00 H new ATOM 0 HG3 LYS A 232 -1.065 1.204 10.762 1.00 0.00 H new ATOM 0 HD2 LYS A 232 -1.518 2.259 13.582 1.00 0.00 H new ATOM 0 HD3 LYS A 232 -1.139 3.270 12.202 1.00 0.00 H new ATOM 0 HE2 LYS A 232 -3.450 3.472 12.269 1.00 0.00 H new ATOM 0 HE3 LYS A 232 -3.272 2.164 11.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 -4.524 0.934 12.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 -3.354 1.009 13.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 -4.600 2.161 13.586 1.00 0.00 H new ATOM 679 N PRO A 233 1.921 -1.114 11.170 1.00 0.00 N ATOM 680 CA PRO A 233 3.347 -1.273 11.436 1.00 0.00 C ATOM 681 C PRO A 233 3.901 -0.097 12.251 1.00 0.00 C ATOM 682 O PRO A 233 4.425 -0.305 13.345 1.00 0.00 O ATOM 683 CB PRO A 233 4.002 -1.393 10.052 1.00 0.00 C ATOM 684 CG PRO A 233 3.051 -0.643 9.115 1.00 0.00 C ATOM 685 CD PRO A 233 1.684 -0.864 9.756 1.00 0.00 C ATOM 0 HA PRO A 233 3.556 -2.152 12.045 1.00 0.00 H new ATOM 0 HB2 PRO A 233 4.998 -0.951 10.044 1.00 0.00 H new ATOM 0 HB3 PRO A 233 4.113 -2.436 9.754 1.00 0.00 H new ATOM 0 HG2 PRO A 233 3.300 0.416 9.052 1.00 0.00 H new ATOM 0 HG3 PRO A 233 3.089 -1.040 8.101 1.00 0.00 H new ATOM 0 HD2 PRO A 233 1.046 0.009 9.619 1.00 0.00 H new ATOM 0 HD3 PRO A 233 1.172 -1.708 9.294 1.00 0.00 H new ATOM 693 N ARG A 234 3.763 1.126 11.718 1.00 0.00 N ATOM 694 CA ARG A 234 4.197 2.391 12.307 1.00 0.00 C ATOM 695 C ARG A 234 3.664 3.545 11.438 1.00 0.00 C ATOM 696 O ARG A 234 2.980 3.315 10.437 1.00 0.00 O ATOM 697 CB ARG A 234 5.744 2.429 12.394 1.00 0.00 C ATOM 698 CG ARG A 234 6.227 3.170 13.650 1.00 0.00 C ATOM 699 CD ARG A 234 7.752 3.110 13.775 1.00 0.00 C ATOM 700 NE ARG A 234 8.204 3.770 15.009 1.00 0.00 N ATOM 701 CZ ARG A 234 9.440 3.704 15.525 1.00 0.00 C ATOM 702 NH1 ARG A 234 10.416 3.015 14.927 1.00 0.00 N ATOM 703 NH2 ARG A 234 9.707 4.339 16.667 1.00 0.00 N ATOM 0 H ARG A 234 3.318 1.261 10.810 1.00 0.00 H new ATOM 0 HA ARG A 234 3.803 2.493 13.318 1.00 0.00 H new ATOM 0 HB2 ARG A 234 6.133 1.411 12.401 1.00 0.00 H new ATOM 0 HB3 ARG A 234 6.146 2.918 11.507 1.00 0.00 H new ATOM 0 HG2 ARG A 234 5.903 4.210 13.609 1.00 0.00 H new ATOM 0 HG3 ARG A 234 5.769 2.728 14.535 1.00 0.00 H new ATOM 0 HD2 ARG A 234 8.080 2.071 13.773 1.00 0.00 H new ATOM 0 HD3 ARG A 234 8.211 3.591 12.911 1.00 0.00 H new ATOM 0 HE ARG A 234 7.517 4.327 15.517 1.00 0.00 H new ATOM 0 HH11 ARG A 234 10.231 2.521 14.054 1.00 0.00 H new ATOM 0 HH12 ARG A 234 11.347 2.983 15.343 1.00 0.00 H new ATOM 0 HH21 ARG A 234 8.974 4.868 17.139 1.00 0.00 H new ATOM 0 HH22 ARG A 234 10.644 4.295 17.068 1.00 0.00 H new ATOM 717 N GLY A 235 4.031 4.787 11.782 1.00 0.00 N ATOM 718 CA GLY A 235 3.820 5.971 10.951 1.00 0.00 C ATOM 719 C GLY A 235 4.848 6.088 9.812 1.00 0.00 C ATOM 720 O GLY A 235 5.102 7.199 9.346 1.00 0.00 O ATOM 0 H GLY A 235 4.493 4.997 12.667 1.00 0.00 H new ATOM 0 HA2 GLY A 235 2.816 5.938 10.527 1.00 0.00 H new ATOM 0 HA3 GLY A 235 3.873 6.863 11.576 1.00 0.00 H new ATOM 724 N LYS A 236 5.466 4.967 9.401 1.00 0.00 N ATOM 725 CA LYS A 236 6.459 4.883 8.342 1.00 0.00 C ATOM 726 C LYS A 236 6.487 3.448 7.808 1.00 0.00 C ATOM 727 O LYS A 236 6.867 2.517 8.519 1.00 0.00 O ATOM 728 CB LYS A 236 7.836 5.303 8.888 1.00 0.00 C ATOM 729 CG LYS A 236 8.935 5.432 7.818 1.00 0.00 C ATOM 730 CD LYS A 236 8.633 6.455 6.712 1.00 0.00 C ATOM 731 CE LYS A 236 8.320 7.849 7.271 1.00 0.00 C ATOM 732 NZ LYS A 236 7.940 8.790 6.205 1.00 0.00 N ATOM 0 H LYS A 236 5.271 4.060 9.824 1.00 0.00 H new ATOM 0 HA LYS A 236 6.203 5.558 7.525 1.00 0.00 H new ATOM 0 HB2 LYS A 236 7.733 6.259 9.402 1.00 0.00 H new ATOM 0 HB3 LYS A 236 8.155 4.574 9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 236 9.869 5.710 8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 236 9.093 4.456 7.359 1.00 0.00 H new ATOM 0 HD2 LYS A 236 9.488 6.521 6.039 1.00 0.00 H new ATOM 0 HD3 LYS A 236 7.787 6.106 6.120 1.00 0.00 H new ATOM 0 HE2 LYS A 236 7.511 7.776 7.998 1.00 0.00 H new ATOM 0 HE3 LYS A 236 9.192 8.233 7.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 8.175 9.760 6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 8.458 8.556 5.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 6.917 8.720 6.028 1.00 0.00 H new ATOM 746 N TRP A 237 6.085 3.295 6.544 1.00 0.00 N ATOM 747 CA TRP A 237 6.056 2.045 5.797 1.00 0.00 C ATOM 748 C TRP A 237 6.478 2.284 4.339 1.00 0.00 C ATOM 749 O TRP A 237 6.410 3.405 3.836 1.00 0.00 O ATOM 750 CB TRP A 237 4.640 1.478 5.888 1.00 0.00 C ATOM 751 CG TRP A 237 4.408 0.165 5.200 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.672 -1.065 5.696 1.00 0.00 C ATOM 753 CD2 TRP A 237 3.916 -0.062 3.845 1.00 0.00 C ATOM 754 NE1 TRP A 237 4.375 -2.026 4.750 1.00 0.00 N ATOM 755 CE2 TRP A 237 3.912 -1.463 3.578 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.524 0.793 2.797 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.520 -1.982 2.333 1.00 0.00 C ATOM 758 CZ3 TRP A 237 3.120 0.282 1.551 1.00 0.00 C ATOM 759 CH2 TRP A 237 3.101 -1.103 1.324 1.00 0.00 C ATOM 0 H TRP A 237 5.754 4.084 5.989 1.00 0.00 H new ATOM 0 HA TRP A 237 6.761 1.328 6.217 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.384 1.363 6.941 1.00 0.00 H new ATOM 0 HB3 TRP A 237 3.950 2.211 5.470 1.00 0.00 H new ATOM 0 HD1 TRP A 237 5.058 -1.266 6.685 1.00 0.00 H new ATOM 0 HE1 TRP A 237 4.484 -3.029 4.899 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.534 1.862 2.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.541 -3.047 2.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 2.823 0.959 0.764 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.764 -1.491 0.374 1.00 0.00 H new ATOM 770 N PHE A 238 6.887 1.208 3.651 1.00 0.00 N ATOM 771 CA PHE A 238 7.290 1.233 2.249 1.00 0.00 C ATOM 772 C PHE A 238 6.778 -0.025 1.544 1.00 0.00 C ATOM 773 O PHE A 238 6.811 -1.115 2.117 1.00 0.00 O ATOM 774 CB PHE A 238 8.822 1.299 2.137 1.00 0.00 C ATOM 775 CG PHE A 238 9.477 2.453 2.874 1.00 0.00 C ATOM 776 CD1 PHE A 238 9.527 3.735 2.294 1.00 0.00 C ATOM 777 CD2 PHE A 238 10.037 2.243 4.150 1.00 0.00 C ATOM 778 CE1 PHE A 238 10.137 4.797 2.983 1.00 0.00 C ATOM 779 CE2 PHE A 238 10.650 3.305 4.837 1.00 0.00 C ATOM 780 CZ PHE A 238 10.704 4.582 4.250 1.00 0.00 C ATOM 0 H PHE A 238 6.946 0.279 4.068 1.00 0.00 H new ATOM 0 HA PHE A 238 6.862 2.116 1.775 1.00 0.00 H new ATOM 0 HB2 PHE A 238 9.238 0.365 2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 238 9.090 1.364 1.083 1.00 0.00 H new ATOM 0 HD1 PHE A 238 9.096 3.902 1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 238 9.995 1.263 4.602 1.00 0.00 H new ATOM 0 HE1 PHE A 238 10.170 5.780 2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 238 11.079 3.141 5.814 1.00 0.00 H new ATOM 0 HZ PHE A 238 11.181 5.397 4.773 1.00 0.00 H new ATOM 790 N CYS A 239 6.340 0.121 0.285 1.00 0.00 N ATOM 791 CA CYS A 239 5.904 -0.991 -0.548 1.00 0.00 C ATOM 792 C CYS A 239 7.079 -1.890 -0.965 1.00 0.00 C ATOM 793 O CYS A 239 8.227 -1.465 -0.825 1.00 0.00 O ATOM 794 CB CYS A 239 5.115 -0.393 -1.715 1.00 0.00 C ATOM 795 SG CYS A 239 6.170 0.371 -2.972 1.00 0.00 S ATOM 0 H CYS A 239 6.281 1.026 -0.181 1.00 0.00 H new ATOM 0 HA CYS A 239 5.251 -1.669 0.002 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.516 -1.176 -2.180 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.420 0.354 -1.331 1.00 0.00 H new ATOM 801 N PRO A 240 6.833 -3.108 -1.492 1.00 0.00 N ATOM 802 CA PRO A 240 7.879 -4.040 -1.930 1.00 0.00 C ATOM 803 C PRO A 240 8.571 -3.612 -3.246 1.00 0.00 C ATOM 804 O PRO A 240 8.994 -4.463 -4.027 1.00 0.00 O ATOM 805 CB PRO A 240 7.181 -5.408 -2.001 1.00 0.00 C ATOM 806 CG PRO A 240 5.745 -5.051 -2.363 1.00 0.00 C ATOM 807 CD PRO A 240 5.526 -3.752 -1.593 1.00 0.00 C ATOM 0 HA PRO A 240 8.717 -4.065 -1.233 1.00 0.00 H new ATOM 0 HB2 PRO A 240 7.636 -6.053 -2.752 1.00 0.00 H new ATOM 0 HB3 PRO A 240 7.236 -5.938 -1.050 1.00 0.00 H new ATOM 0 HG2 PRO A 240 5.619 -4.913 -3.437 1.00 0.00 H new ATOM 0 HG3 PRO A 240 5.044 -5.828 -2.057 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.815 -3.109 -2.111 1.00 0.00 H new ATOM 0 HD3 PRO A 240 5.114 -3.951 -0.604 1.00 0.00 H new ATOM 815 N ARG A 241 8.699 -2.296 -3.486 1.00 0.00 N ATOM 816 CA ARG A 241 9.469 -1.711 -4.583 1.00 0.00 C ATOM 817 C ARG A 241 10.285 -0.522 -4.069 1.00 0.00 C ATOM 818 O ARG A 241 11.429 -0.333 -4.477 1.00 0.00 O ATOM 819 CB ARG A 241 8.540 -1.245 -5.718 1.00 0.00 C ATOM 820 CG ARG A 241 7.702 -2.365 -6.355 1.00 0.00 C ATOM 821 CD ARG A 241 6.841 -1.786 -7.484 1.00 0.00 C ATOM 822 NE ARG A 241 5.983 -2.813 -8.091 1.00 0.00 N ATOM 823 CZ ARG A 241 5.023 -2.583 -9.000 1.00 0.00 C ATOM 824 NH1 ARG A 241 4.760 -1.353 -9.449 1.00 0.00 N ATOM 825 NH2 ARG A 241 4.312 -3.606 -9.474 1.00 0.00 N ATOM 0 H ARG A 241 8.252 -1.592 -2.899 1.00 0.00 H new ATOM 0 HA ARG A 241 10.141 -2.475 -4.975 1.00 0.00 H new ATOM 0 HB2 ARG A 241 7.867 -0.481 -5.329 1.00 0.00 H new ATOM 0 HB3 ARG A 241 9.143 -0.773 -6.494 1.00 0.00 H new ATOM 0 HG2 ARG A 241 8.356 -3.144 -6.746 1.00 0.00 H new ATOM 0 HG3 ARG A 241 7.066 -2.831 -5.602 1.00 0.00 H new ATOM 0 HD2 ARG A 241 6.222 -0.979 -7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 241 7.486 -1.352 -8.248 1.00 0.00 H new ATOM 0 HE ARG A 241 6.129 -3.779 -7.798 1.00 0.00 H new ATOM 0 HH11 ARG A 241 5.295 -0.558 -9.101 1.00 0.00 H new ATOM 0 HH12 ARG A 241 4.024 -1.209 -10.140 1.00 0.00 H new ATOM 0 HH21 ARG A 241 4.500 -4.553 -9.146 1.00 0.00 H new ATOM 0 HH22 ARG A 241 3.580 -3.442 -10.165 1.00 0.00 H new ATOM 839 N CYS A 242 9.708 0.244 -3.136 1.00 0.00 N ATOM 840 CA CYS A 242 10.326 1.313 -2.395 1.00 0.00 C ATOM 841 C CYS A 242 11.265 0.785 -1.300 1.00 0.00 C ATOM 842 O CYS A 242 12.292 1.403 -1.025 1.00 0.00 O ATOM 843 CB CYS A 242 9.146 2.060 -1.787 1.00 0.00 C ATOM 844 SG CYS A 242 8.341 3.110 -3.035 1.00 0.00 S ATOM 0 H CYS A 242 8.732 0.112 -2.872 1.00 0.00 H new ATOM 0 HA CYS A 242 10.952 1.943 -3.027 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.426 1.347 -1.384 1.00 0.00 H new ATOM 0 HB3 CYS A 242 9.488 2.674 -0.953 1.00 0.00 H new ATOM 0 HG CYS A 242 7.259 2.528 -3.459 1.00 0.00 H new ATOM 850 N SER A 243 10.926 -0.367 -0.701 1.00 0.00 N ATOM 851 CA SER A 243 11.728 -1.072 0.296 1.00 0.00 C ATOM 852 C SER A 243 12.841 -1.912 -0.350 1.00 0.00 C ATOM 853 O SER A 243 13.815 -2.248 0.323 1.00 0.00 O ATOM 854 CB SER A 243 10.792 -1.983 1.102 1.00 0.00 C ATOM 855 OG SER A 243 11.437 -2.482 2.254 1.00 0.00 O ATOM 0 H SER A 243 10.051 -0.847 -0.910 1.00 0.00 H new ATOM 0 HA SER A 243 12.213 -0.339 0.940 1.00 0.00 H new ATOM 0 HB2 SER A 243 9.900 -1.428 1.392 1.00 0.00 H new ATOM 0 HB3 SER A 243 10.461 -2.813 0.478 1.00 0.00 H new ATOM 0 HG SER A 243 10.819 -3.058 2.751 1.00 0.00 H new ATOM 861 N GLN A 244 12.697 -2.249 -1.642 1.00 0.00 N ATOM 862 CA GLN A 244 13.591 -3.133 -2.386 1.00 0.00 C ATOM 863 C GLN A 244 15.020 -2.576 -2.476 1.00 0.00 C ATOM 864 O GLN A 244 15.974 -3.344 -2.358 1.00 0.00 O ATOM 865 CB GLN A 244 12.981 -3.356 -3.779 1.00 0.00 C ATOM 866 CG GLN A 244 13.686 -4.457 -4.585 1.00 0.00 C ATOM 867 CD GLN A 244 13.077 -4.653 -5.977 1.00 0.00 C ATOM 868 OE1 GLN A 244 11.914 -4.341 -6.222 1.00 0.00 O ATOM 869 NE2 GLN A 244 13.870 -5.172 -6.913 1.00 0.00 N ATOM 0 H GLN A 244 11.927 -1.898 -2.211 1.00 0.00 H new ATOM 0 HA GLN A 244 13.682 -4.083 -1.860 1.00 0.00 H new ATOM 0 HB2 GLN A 244 11.928 -3.614 -3.669 1.00 0.00 H new ATOM 0 HB3 GLN A 244 13.023 -2.422 -4.340 1.00 0.00 H new ATOM 0 HG2 GLN A 244 14.742 -4.207 -4.687 1.00 0.00 H new ATOM 0 HG3 GLN A 244 13.632 -5.396 -4.034 1.00 0.00 H new ATOM 0 HE21 GLN A 244 14.832 -5.423 -6.685 1.00 0.00 H new ATOM 0 HE22 GLN A 244 13.515 -5.318 -7.858 1.00 0.00 H new ATOM 878 N GLU A 245 15.165 -1.252 -2.646 1.00 0.00 N ATOM 879 CA GLU A 245 16.423 -0.538 -2.690 1.00 0.00 C ATOM 880 C GLU A 245 17.235 -0.723 -1.399 1.00 0.00 C ATOM 881 O GLU A 245 18.420 -1.048 -1.466 1.00 0.00 O ATOM 882 CB GLU A 245 16.067 0.934 -2.960 1.00 0.00 C ATOM 883 CG GLU A 245 17.224 1.736 -3.549 1.00 0.00 C ATOM 884 CD GLU A 245 18.294 2.100 -2.520 1.00 0.00 C ATOM 885 OE1 GLU A 245 17.970 2.914 -1.625 1.00 0.00 O ATOM 886 OE2 GLU A 245 19.416 1.560 -2.631 1.00 0.00 O ATOM 0 H GLU A 245 14.362 -0.633 -2.761 1.00 0.00 H new ATOM 0 HA GLU A 245 17.070 -0.926 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 245 15.219 0.976 -3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 245 15.748 1.400 -2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 245 17.684 1.161 -4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 245 16.833 2.650 -3.995 1.00 0.00 H new ATOM 893 N ARG A 246 16.571 -0.583 -0.239 1.00 0.00 N ATOM 894 CA ARG A 246 17.099 -0.786 1.116 1.00 0.00 C ATOM 895 C ARG A 246 18.410 -0.030 1.432 1.00 0.00 C ATOM 896 O ARG A 246 19.135 -0.428 2.344 1.00 0.00 O ATOM 897 CB ARG A 246 17.207 -2.301 1.384 1.00 0.00 C ATOM 898 CG ARG A 246 17.023 -2.654 2.874 1.00 0.00 C ATOM 899 CD ARG A 246 17.997 -3.738 3.349 1.00 0.00 C ATOM 900 NE ARG A 246 19.370 -3.215 3.419 1.00 0.00 N ATOM 901 CZ ARG A 246 20.424 -3.823 3.978 1.00 0.00 C ATOM 902 NH1 ARG A 246 20.325 -5.036 4.526 1.00 0.00 N ATOM 903 NH2 ARG A 246 21.603 -3.201 3.985 1.00 0.00 N ATOM 0 H ARG A 246 15.589 -0.307 -0.225 1.00 0.00 H new ATOM 0 HA ARG A 246 16.389 -0.334 1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 246 16.455 -2.825 0.795 1.00 0.00 H new ATOM 0 HB3 ARG A 246 18.181 -2.657 1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 246 17.163 -1.756 3.476 1.00 0.00 H new ATOM 0 HG3 ARG A 246 16.000 -2.992 3.040 1.00 0.00 H new ATOM 0 HD2 ARG A 246 17.692 -4.102 4.330 1.00 0.00 H new ATOM 0 HD3 ARG A 246 17.962 -4.588 2.668 1.00 0.00 H new ATOM 0 HE ARG A 246 19.535 -2.300 3.001 1.00 0.00 H new ATOM 0 HH11 ARG A 246 19.429 -5.524 4.526 1.00 0.00 H new ATOM 0 HH12 ARG A 246 21.145 -5.475 4.945 1.00 0.00 H new ATOM 0 HH21 ARG A 246 21.693 -2.274 3.568 1.00 0.00 H new ATOM 0 HH22 ARG A 246 22.415 -3.652 4.407 1.00 0.00 H new ATOM 917 N LYS A 247 18.731 1.042 0.683 1.00 0.00 N ATOM 918 CA LYS A 247 20.022 1.737 0.697 1.00 0.00 C ATOM 919 C LYS A 247 21.194 0.745 0.604 1.00 0.00 C ATOM 920 O LYS A 247 22.055 0.684 1.484 1.00 0.00 O ATOM 921 CB LYS A 247 20.079 2.739 1.866 1.00 0.00 C ATOM 922 CG LYS A 247 21.189 3.785 1.661 1.00 0.00 C ATOM 923 CD LYS A 247 21.205 4.872 2.748 1.00 0.00 C ATOM 924 CE LYS A 247 19.921 5.712 2.815 1.00 0.00 C ATOM 925 NZ LYS A 247 19.658 6.434 1.555 1.00 0.00 N ATOM 0 H LYS A 247 18.070 1.460 0.028 1.00 0.00 H new ATOM 0 HA LYS A 247 20.128 2.347 -0.200 1.00 0.00 H new ATOM 0 HB2 LYS A 247 19.117 3.242 1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 247 20.252 2.202 2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 247 22.156 3.281 1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 247 21.060 4.256 0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 247 21.368 4.399 3.717 1.00 0.00 H new ATOM 0 HD3 LYS A 247 22.051 5.535 2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 247 19.076 5.062 3.042 1.00 0.00 H new ATOM 0 HE3 LYS A 247 20.001 6.429 3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 18.820 7.039 1.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 20.480 7.023 1.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 19.488 5.749 0.791 1.00 0.00 H new ATOM 939 N LYS A 248 21.163 -0.086 -0.449 1.00 0.00 N ATOM 940 CA LYS A 248 22.043 -1.238 -0.638 1.00 0.00 C ATOM 941 C LYS A 248 22.431 -1.385 -2.123 1.00 0.00 C ATOM 942 O LYS A 248 22.417 -2.487 -2.674 1.00 0.00 O ATOM 943 CB LYS A 248 21.360 -2.492 -0.054 1.00 0.00 C ATOM 944 CG LYS A 248 22.381 -3.594 0.274 1.00 0.00 C ATOM 945 CD LYS A 248 21.686 -4.931 0.570 1.00 0.00 C ATOM 946 CE LYS A 248 22.695 -6.013 0.971 1.00 0.00 C ATOM 947 NZ LYS A 248 23.600 -6.370 -0.138 1.00 0.00 N ATOM 0 H LYS A 248 20.501 0.034 -1.215 1.00 0.00 H new ATOM 0 HA LYS A 248 22.980 -1.096 -0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 248 20.813 -2.221 0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 248 20.629 -2.874 -0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 248 23.068 -3.717 -0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 248 22.978 -3.294 1.135 1.00 0.00 H new ATOM 0 HD2 LYS A 248 20.960 -4.795 1.371 1.00 0.00 H new ATOM 0 HD3 LYS A 248 21.132 -5.257 -0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 248 23.283 -5.662 1.819 1.00 0.00 H new ATOM 0 HE3 LYS A 248 22.159 -6.903 1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 24.208 -7.163 0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 23.039 -6.649 -0.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 24.192 -5.550 -0.380 1.00 0.00 H new ATOM 961 N LYS A 249 22.745 -0.255 -2.777 1.00 0.00 N ATOM 962 CA LYS A 249 23.222 -0.194 -4.160 1.00 0.00 C ATOM 963 C LYS A 249 24.509 -1.008 -4.345 1.00 0.00 C ATOM 964 O LYS A 249 25.430 -0.838 -3.513 1.00 0.00 O ATOM 965 CB LYS A 249 23.452 1.265 -4.591 1.00 0.00 C ATOM 966 CG LYS A 249 22.165 2.105 -4.560 1.00 0.00 C ATOM 967 CD LYS A 249 22.370 3.534 -5.082 1.00 0.00 C ATOM 968 CE LYS A 249 22.725 3.558 -6.572 1.00 0.00 C ATOM 969 NZ LYS A 249 22.876 4.939 -7.070 1.00 0.00 N ATOM 970 OXT LYS A 249 24.552 -1.777 -5.328 1.00 0.00 O ATOM 0 H LYS A 249 22.670 0.665 -2.342 1.00 0.00 H new ATOM 0 HA LYS A 249 22.450 -0.632 -4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 249 24.194 1.720 -3.935 1.00 0.00 H new ATOM 0 HB3 LYS A 249 23.866 1.280 -5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 249 21.401 1.611 -5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 249 21.790 2.148 -3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 249 21.462 4.114 -4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 249 23.164 4.017 -4.513 1.00 0.00 H new ATOM 0 HE2 LYS A 249 23.652 3.008 -6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 249 21.947 3.048 -7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 249 23.116 4.919 -8.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 249 21.983 5.456 -6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 249 23.635 5.417 -6.543 1.00 0.00 H new TER 984 LYS A 249 HETATM 985 ZN ZN A 301 -4.924 -4.824 -2.786 1.00 0.00 ZN HETATM 986 ZN ZN A 302 4.963 2.396 -2.801 1.00 0.00 ZN