USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 566 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 NoAdj-H: A 319 HIS HD1 : A 319 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: B 19 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.3) USER MOD Set 1.2: B 21 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 334 THR OG1 : rot -160:sc= -0.204 USER MOD Set 2.2: A 346 GLN : amide:sc= -0.244 X(o=-0.45,f=-0.46) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 294 LYS NZ :NH3+ -179:sc= -1.55 (180deg=-1.64) USER MOD Single : A 295 ASN : amide:sc= -5.79! C(o=-5.8!,f=-5.5!) USER MOD Single : A 310 CYS SG : rot 180:sc= -1.75 USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : A 342 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 344 THR OG1 : rot 180:sc= -0.319 USER MOD Single : B 1 ALA N :NH3+ 163:sc= -0.139 (180deg=-0.19) USER MOD Single : B 3 THR OG1 : rot -3:sc= 0.814! USER MOD Single : B 4 LYS NZ :NH3+ -138:sc= -1.53! (180deg=-1.76) USER MOD Single : B 5 GLN : amide:sc= -1.14 K(o=-1.1,f=0) USER MOD Single : B 6 THR OG1 : rot 130:sc= -0.241 USER MOD Single : B 9 LYS NZ :NH3+ 164:sc= -0.0602 (180deg=-0.385) USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 LYS NZ :NH3+ 163:sc= -0.0767 (180deg=-0.462) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 7.547 -0.534 -15.503 1.00 0.00 N ATOM 2 CA GLY A -2 7.311 -1.132 -14.160 1.00 0.00 C ATOM 3 C GLY A -2 7.032 -0.084 -13.102 1.00 0.00 C ATOM 4 O GLY A -2 7.900 0.236 -12.291 1.00 0.00 O ATOM 0 H1 GLY A -2 7.733 -1.290 -16.192 1.00 0.00 H new ATOM 0 H2 GLY A -2 6.706 0.003 -15.797 1.00 0.00 H new ATOM 0 H3 GLY A -2 8.367 0.104 -15.460 1.00 0.00 H new ATOM 0 HA2 GLY A -2 6.469 -1.822 -14.215 1.00 0.00 H new ATOM 0 HA3 GLY A -2 8.183 -1.717 -13.867 1.00 0.00 H new ATOM 10 N SER A -1 5.815 0.453 -13.110 1.00 0.00 N ATOM 11 CA SER A -1 5.420 1.473 -12.145 1.00 0.00 C ATOM 12 C SER A -1 4.131 1.078 -11.431 1.00 0.00 C ATOM 13 O SER A -1 3.096 0.876 -12.066 1.00 0.00 O ATOM 14 CB SER A -1 5.236 2.821 -12.844 1.00 0.00 C ATOM 15 OG SER A -1 4.880 3.832 -11.918 1.00 0.00 O ATOM 0 H SER A -1 5.085 0.198 -13.775 1.00 0.00 H new ATOM 0 HA SER A -1 6.213 1.561 -11.402 1.00 0.00 H new ATOM 0 HB2 SER A -1 6.159 3.099 -13.353 1.00 0.00 H new ATOM 0 HB3 SER A -1 4.463 2.735 -13.608 1.00 0.00 H new ATOM 0 HG SER A -1 4.770 4.684 -12.390 1.00 0.00 H new ATOM 21 N LYS A 294 4.204 0.973 -10.108 1.00 0.00 N ATOM 22 CA LYS A 294 3.045 0.603 -9.302 1.00 0.00 C ATOM 23 C LYS A 294 2.032 1.740 -9.239 1.00 0.00 C ATOM 24 O LYS A 294 2.146 2.730 -9.961 1.00 0.00 O ATOM 25 CB LYS A 294 3.478 0.238 -7.882 1.00 0.00 C ATOM 26 CG LYS A 294 4.363 -0.996 -7.795 1.00 0.00 C ATOM 27 CD LYS A 294 3.566 -2.242 -7.460 1.00 0.00 C ATOM 28 CE LYS A 294 2.521 -2.557 -8.516 1.00 0.00 C ATOM 29 NZ LYS A 294 3.111 -2.627 -9.882 1.00 0.00 N ATOM 0 H LYS A 294 5.055 1.139 -9.570 1.00 0.00 H new ATOM 0 HA LYS A 294 2.577 -0.260 -9.776 1.00 0.00 H new ATOM 0 HB2 LYS A 294 4.011 1.084 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 294 2.588 0.076 -7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 294 4.879 -1.140 -8.744 1.00 0.00 H new ATOM 0 HG3 LYS A 294 5.129 -0.840 -7.036 1.00 0.00 H new ATOM 0 HD2 LYS A 294 4.245 -3.089 -7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 294 3.076 -2.109 -6.495 1.00 0.00 H new ATOM 0 HE2 LYS A 294 2.041 -3.507 -8.279 1.00 0.00 H new ATOM 0 HE3 LYS A 294 1.743 -1.793 -8.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 2.361 -2.827 -10.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 3.561 -1.718 -10.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 3.823 -3.384 -9.914 1.00 0.00 H new ATOM 43 N ASN A 295 1.042 1.585 -8.365 1.00 0.00 N ATOM 44 CA ASN A 295 0.013 2.600 -8.181 1.00 0.00 C ATOM 45 C ASN A 295 0.638 3.886 -7.653 1.00 0.00 C ATOM 46 O ASN A 295 1.860 3.985 -7.543 1.00 0.00 O ATOM 47 CB ASN A 295 -1.052 2.098 -7.201 1.00 0.00 C ATOM 48 CG ASN A 295 -1.895 0.971 -7.771 1.00 0.00 C ATOM 49 OD1 ASN A 295 -3.060 0.812 -7.408 1.00 0.00 O ATOM 50 ND2 ASN A 295 -1.312 0.177 -8.664 1.00 0.00 N ATOM 0 H ASN A 295 0.932 0.763 -7.772 1.00 0.00 H new ATOM 0 HA ASN A 295 -0.458 2.802 -9.143 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -0.565 1.755 -6.288 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -1.703 2.927 -6.923 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -1.833 -0.598 -9.075 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -0.344 0.343 -8.938 1.00 0.00 H new ATOM 57 N GLU A 296 -0.194 4.871 -7.328 1.00 0.00 N ATOM 58 CA GLU A 296 0.313 6.131 -6.801 1.00 0.00 C ATOM 59 C GLU A 296 1.182 5.876 -5.574 1.00 0.00 C ATOM 60 O GLU A 296 0.691 5.421 -4.540 1.00 0.00 O ATOM 61 CB GLU A 296 -0.840 7.071 -6.445 1.00 0.00 C ATOM 62 CG GLU A 296 -1.465 7.751 -7.648 1.00 0.00 C ATOM 63 CD GLU A 296 -0.456 8.537 -8.463 1.00 0.00 C ATOM 64 OE1 GLU A 296 -0.218 9.718 -8.133 1.00 0.00 O ATOM 65 OE2 GLU A 296 0.098 7.972 -9.429 1.00 0.00 O ATOM 0 H GLU A 296 -1.209 4.822 -7.419 1.00 0.00 H new ATOM 0 HA GLU A 296 0.920 6.607 -7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -1.609 6.506 -5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -0.476 7.833 -5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -1.933 6.999 -8.283 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -2.256 8.421 -7.312 1.00 0.00 H new ATOM 72 N ASP A 297 2.477 6.158 -5.697 1.00 0.00 N ATOM 73 CA ASP A 297 3.414 5.957 -4.594 1.00 0.00 C ATOM 74 C ASP A 297 3.224 7.019 -3.512 1.00 0.00 C ATOM 75 O ASP A 297 4.171 7.385 -2.817 1.00 0.00 O ATOM 76 CB ASP A 297 4.857 5.984 -5.104 1.00 0.00 C ATOM 77 CG ASP A 297 4.947 5.762 -6.600 1.00 0.00 C ATOM 78 OD1 ASP A 297 4.810 6.750 -7.353 1.00 0.00 O ATOM 79 OD2 ASP A 297 5.154 4.602 -7.017 1.00 0.00 O ATOM 0 H ASP A 297 2.901 6.526 -6.548 1.00 0.00 H new ATOM 0 HA ASP A 297 3.210 4.979 -4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 297 5.309 6.944 -4.854 1.00 0.00 H new ATOM 0 HB3 ASP A 297 5.435 5.216 -4.590 1.00 0.00 H new ATOM 84 N GLU A 298 1.997 7.513 -3.385 1.00 0.00 N ATOM 85 CA GLU A 298 1.670 8.518 -2.387 1.00 0.00 C ATOM 86 C GLU A 298 0.404 8.118 -1.635 1.00 0.00 C ATOM 87 O GLU A 298 -0.640 7.870 -2.241 1.00 0.00 O ATOM 88 CB GLU A 298 1.498 9.888 -3.040 1.00 0.00 C ATOM 89 CG GLU A 298 0.345 9.964 -4.027 1.00 0.00 C ATOM 90 CD GLU A 298 0.212 11.334 -4.662 1.00 0.00 C ATOM 91 OE1 GLU A 298 0.843 11.565 -5.714 1.00 0.00 O ATOM 92 OE2 GLU A 298 -0.526 12.175 -4.107 1.00 0.00 O ATOM 0 H GLU A 298 1.209 7.229 -3.967 1.00 0.00 H new ATOM 0 HA GLU A 298 2.492 8.583 -1.675 1.00 0.00 H new ATOM 0 HB2 GLU A 298 1.344 10.634 -2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 298 2.422 10.152 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 298 0.490 9.218 -4.808 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -0.584 9.713 -3.515 1.00 0.00 H new ATOM 99 N CYS A 299 0.507 8.045 -0.314 1.00 0.00 N ATOM 100 CA CYS A 299 -0.623 7.661 0.524 1.00 0.00 C ATOM 101 C CYS A 299 -1.832 8.561 0.279 1.00 0.00 C ATOM 102 O CYS A 299 -1.814 9.751 0.600 1.00 0.00 O ATOM 103 CB CYS A 299 -0.217 7.704 1.987 1.00 0.00 C ATOM 104 SG CYS A 299 -1.605 7.871 3.145 1.00 0.00 S ATOM 0 H CYS A 299 1.364 8.247 0.202 1.00 0.00 H new ATOM 0 HA CYS A 299 -0.912 6.644 0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.332 6.793 2.226 1.00 0.00 H new ATOM 0 HB3 CYS A 299 0.468 8.538 2.137 1.00 0.00 H new ATOM 109 N ALA A 300 -2.891 7.962 -0.258 1.00 0.00 N ATOM 110 CA ALA A 300 -4.115 8.683 -0.593 1.00 0.00 C ATOM 111 C ALA A 300 -4.864 9.225 0.631 1.00 0.00 C ATOM 112 O ALA A 300 -5.997 9.688 0.496 1.00 0.00 O ATOM 113 CB ALA A 300 -5.037 7.782 -1.405 1.00 0.00 C ATOM 0 H ALA A 300 -2.925 6.965 -0.473 1.00 0.00 H new ATOM 0 HA ALA A 300 -3.813 9.551 -1.179 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -5.950 8.324 -1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.534 7.479 -2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.288 6.897 -0.820 1.00 0.00 H new ATOM 119 N VAL A 301 -4.256 9.177 1.817 1.00 0.00 N ATOM 120 CA VAL A 301 -4.931 9.683 3.013 1.00 0.00 C ATOM 121 C VAL A 301 -4.169 10.833 3.679 1.00 0.00 C ATOM 122 O VAL A 301 -4.785 11.693 4.310 1.00 0.00 O ATOM 123 CB VAL A 301 -5.207 8.565 4.057 1.00 0.00 C ATOM 124 CG1 VAL A 301 -4.751 7.210 3.551 1.00 0.00 C ATOM 125 CG2 VAL A 301 -4.556 8.879 5.398 1.00 0.00 C ATOM 0 H VAL A 301 -3.320 8.803 1.975 1.00 0.00 H new ATOM 0 HA VAL A 301 -5.887 10.068 2.659 1.00 0.00 H new ATOM 0 HB VAL A 301 -6.286 8.527 4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 301 -4.959 6.451 4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 301 -5.286 6.965 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 301 -3.680 7.238 3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 301 -4.770 8.076 6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 301 -3.478 8.969 5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 301 -4.954 9.817 5.785 1.00 0.00 H new ATOM 135 N CYS A 302 -2.842 10.867 3.543 1.00 0.00 N ATOM 136 CA CYS A 302 -2.068 11.934 4.179 1.00 0.00 C ATOM 137 C CYS A 302 -0.905 12.403 3.303 1.00 0.00 C ATOM 138 O CYS A 302 -0.020 13.126 3.762 1.00 0.00 O ATOM 139 CB CYS A 302 -1.577 11.497 5.568 1.00 0.00 C ATOM 140 SG CYS A 302 -0.114 10.410 5.572 1.00 0.00 S ATOM 0 H CYS A 302 -2.294 10.189 3.014 1.00 0.00 H new ATOM 0 HA CYS A 302 -2.734 12.788 4.304 1.00 0.00 H new ATOM 0 HB2 CYS A 302 -1.348 12.389 6.151 1.00 0.00 H new ATOM 0 HB3 CYS A 302 -2.392 10.983 6.078 1.00 0.00 H new ATOM 145 N ARG A 303 -0.928 11.991 2.039 1.00 0.00 N ATOM 146 CA ARG A 303 0.093 12.381 1.064 1.00 0.00 C ATOM 147 C ARG A 303 1.518 12.239 1.604 1.00 0.00 C ATOM 148 O ARG A 303 2.394 13.035 1.261 1.00 0.00 O ATOM 149 CB ARG A 303 -0.137 13.829 0.618 1.00 0.00 C ATOM 150 CG ARG A 303 -1.565 14.129 0.194 1.00 0.00 C ATOM 151 CD ARG A 303 -1.998 13.247 -0.961 1.00 0.00 C ATOM 152 NE ARG A 303 -3.380 13.503 -1.358 1.00 0.00 N ATOM 153 CZ ARG A 303 -4.101 12.672 -2.105 1.00 0.00 C ATOM 154 NH1 ARG A 303 -3.578 11.529 -2.528 1.00 0.00 N ATOM 155 NH2 ARG A 303 -5.350 12.984 -2.428 1.00 0.00 N ATOM 0 H ARG A 303 -1.651 11.379 1.660 1.00 0.00 H new ATOM 0 HA ARG A 303 -0.005 11.700 0.218 1.00 0.00 H new ATOM 0 HB2 ARG A 303 0.136 14.497 1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.532 14.052 -0.213 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -2.236 13.979 1.040 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -1.647 15.177 -0.096 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -1.339 13.416 -1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -1.890 12.200 -0.678 1.00 0.00 H new ATOM 0 HE ARG A 303 -3.817 14.369 -1.044 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -2.619 11.284 -2.281 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -4.135 10.895 -3.101 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -5.757 13.861 -2.103 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -5.903 12.347 -3.001 1.00 0.00 H new ATOM 169 N ASP A 304 1.757 11.233 2.438 1.00 0.00 N ATOM 170 CA ASP A 304 3.093 11.012 2.993 1.00 0.00 C ATOM 171 C ASP A 304 3.720 9.751 2.407 1.00 0.00 C ATOM 172 O ASP A 304 3.072 9.013 1.661 1.00 0.00 O ATOM 173 CB ASP A 304 3.042 10.915 4.519 1.00 0.00 C ATOM 174 CG ASP A 304 2.914 12.274 5.183 1.00 0.00 C ATOM 175 OD1 ASP A 304 3.941 12.975 5.301 1.00 0.00 O ATOM 176 OD2 ASP A 304 1.790 12.635 5.588 1.00 0.00 O ATOM 0 H ASP A 304 1.053 10.562 2.744 1.00 0.00 H new ATOM 0 HA ASP A 304 3.712 11.867 2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 304 2.199 10.290 4.812 1.00 0.00 H new ATOM 0 HB3 ASP A 304 3.945 10.422 4.879 1.00 0.00 H new ATOM 181 N GLY A 305 4.985 9.510 2.747 1.00 0.00 N ATOM 182 CA GLY A 305 5.682 8.344 2.232 1.00 0.00 C ATOM 183 C GLY A 305 5.911 7.273 3.282 1.00 0.00 C ATOM 184 O GLY A 305 5.680 7.492 4.471 1.00 0.00 O ATOM 0 H GLY A 305 5.538 10.100 3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 305 5.108 7.920 1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 305 6.644 8.655 1.823 1.00 0.00 H new ATOM 188 N GLY A 306 6.384 6.117 2.829 1.00 0.00 N ATOM 189 CA GLY A 306 6.632 4.996 3.720 1.00 0.00 C ATOM 190 C GLY A 306 6.057 3.717 3.149 1.00 0.00 C ATOM 191 O GLY A 306 5.872 3.612 1.937 1.00 0.00 O ATOM 0 H GLY A 306 6.602 5.934 1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 306 7.705 4.880 3.876 1.00 0.00 H new ATOM 0 HA3 GLY A 306 6.188 5.196 4.695 1.00 0.00 H new ATOM 195 N GLU A 307 5.770 2.734 4.000 1.00 0.00 N ATOM 196 CA GLU A 307 5.198 1.489 3.514 1.00 0.00 C ATOM 197 C GLU A 307 3.706 1.671 3.285 1.00 0.00 C ATOM 198 O GLU A 307 2.945 1.866 4.233 1.00 0.00 O ATOM 199 CB GLU A 307 5.434 0.344 4.502 1.00 0.00 C ATOM 200 CG GLU A 307 5.100 -1.022 3.920 1.00 0.00 C ATOM 201 CD GLU A 307 4.927 -2.092 4.979 1.00 0.00 C ATOM 202 OE1 GLU A 307 5.761 -2.152 5.907 1.00 0.00 O ATOM 203 OE2 GLU A 307 3.954 -2.872 4.878 1.00 0.00 O ATOM 0 H GLU A 307 5.921 2.776 5.008 1.00 0.00 H new ATOM 0 HA GLU A 307 5.689 1.231 2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 307 6.477 0.353 4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.830 0.511 5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 307 4.184 -0.947 3.335 1.00 0.00 H new ATOM 0 HG3 GLU A 307 5.893 -1.322 3.235 1.00 0.00 H new ATOM 210 N LEU A 308 3.292 1.606 2.027 1.00 0.00 N ATOM 211 CA LEU A 308 1.888 1.771 1.690 1.00 0.00 C ATOM 212 C LEU A 308 1.339 0.525 1.007 1.00 0.00 C ATOM 213 O LEU A 308 2.084 -0.253 0.412 1.00 0.00 O ATOM 214 CB LEU A 308 1.683 2.983 0.777 1.00 0.00 C ATOM 215 CG LEU A 308 2.750 4.071 0.857 1.00 0.00 C ATOM 216 CD1 LEU A 308 2.664 4.971 -0.366 1.00 0.00 C ATOM 217 CD2 LEU A 308 2.571 4.885 2.123 1.00 0.00 C ATOM 0 H LEU A 308 3.905 1.441 1.229 1.00 0.00 H new ATOM 0 HA LEU A 308 1.347 1.932 2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.628 2.631 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 308 0.718 3.431 1.013 1.00 0.00 H new ATOM 0 HG LEU A 308 3.734 3.603 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 308 3.428 5.745 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 308 2.823 4.378 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 308 1.679 5.436 -0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 308 3.338 5.658 2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 308 1.586 5.351 2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 308 2.661 4.232 2.991 1.00 0.00 H new ATOM 229 N ILE A 309 0.029 0.353 1.100 1.00 0.00 N ATOM 230 CA ILE A 309 -0.651 -0.780 0.498 1.00 0.00 C ATOM 231 C ILE A 309 -1.476 -0.324 -0.696 1.00 0.00 C ATOM 232 O ILE A 309 -2.557 0.245 -0.544 1.00 0.00 O ATOM 233 CB ILE A 309 -1.561 -1.485 1.520 1.00 0.00 C ATOM 234 CG1 ILE A 309 -2.413 -2.556 0.841 1.00 0.00 C ATOM 235 CG2 ILE A 309 -2.442 -0.476 2.232 1.00 0.00 C ATOM 236 CD1 ILE A 309 -3.252 -3.359 1.809 1.00 0.00 C ATOM 0 H ILE A 309 -0.590 0.995 1.595 1.00 0.00 H new ATOM 0 HA ILE A 309 0.107 -1.489 0.164 1.00 0.00 H new ATOM 0 HB ILE A 309 -0.927 -1.974 2.260 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -3.069 -2.080 0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.761 -3.233 0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -3.079 -0.992 2.951 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -1.817 0.248 2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -3.064 0.042 1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -3.832 -4.101 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -2.601 -3.863 2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -3.929 -2.693 2.343 1.00 0.00 H new ATOM 248 N CYS A 310 -0.955 -0.574 -1.884 1.00 0.00 N ATOM 249 CA CYS A 310 -1.628 -0.174 -3.107 1.00 0.00 C ATOM 250 C CYS A 310 -2.954 -0.902 -3.292 1.00 0.00 C ATOM 251 O CYS A 310 -3.055 -2.109 -3.073 1.00 0.00 O ATOM 252 CB CYS A 310 -0.723 -0.423 -4.304 1.00 0.00 C ATOM 253 SG CYS A 310 0.742 0.634 -4.359 1.00 0.00 S ATOM 0 H CYS A 310 -0.066 -1.053 -2.028 1.00 0.00 H new ATOM 0 HA CYS A 310 -1.847 0.891 -3.030 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -0.405 -1.465 -4.294 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -1.299 -0.274 -5.218 1.00 0.00 H new ATOM 0 HG CYS A 310 1.447 0.344 -5.412 1.00 0.00 H new ATOM 259 N CYS A 311 -3.965 -0.145 -3.699 1.00 0.00 N ATOM 260 CA CYS A 311 -5.300 -0.684 -3.930 1.00 0.00 C ATOM 261 C CYS A 311 -5.375 -1.391 -5.280 1.00 0.00 C ATOM 262 O CYS A 311 -4.888 -0.879 -6.288 1.00 0.00 O ATOM 263 CB CYS A 311 -6.330 0.445 -3.873 1.00 0.00 C ATOM 264 SG CYS A 311 -8.044 -0.091 -4.166 1.00 0.00 S ATOM 0 H CYS A 311 -3.884 0.856 -3.878 1.00 0.00 H new ATOM 0 HA CYS A 311 -5.518 -1.413 -3.150 1.00 0.00 H new ATOM 0 HB2 CYS A 311 -6.273 0.924 -2.895 1.00 0.00 H new ATOM 0 HB3 CYS A 311 -6.066 1.200 -4.614 1.00 0.00 H new ATOM 269 N ASP A 312 -5.989 -2.570 -5.291 1.00 0.00 N ATOM 270 CA ASP A 312 -6.130 -3.351 -6.514 1.00 0.00 C ATOM 271 C ASP A 312 -7.258 -2.803 -7.382 1.00 0.00 C ATOM 272 O ASP A 312 -7.364 -3.135 -8.564 1.00 0.00 O ATOM 273 CB ASP A 312 -6.396 -4.820 -6.176 1.00 0.00 C ATOM 274 CG ASP A 312 -6.501 -5.690 -7.413 1.00 0.00 C ATOM 275 OD1 ASP A 312 -5.452 -6.169 -7.894 1.00 0.00 O ATOM 276 OD2 ASP A 312 -7.633 -5.893 -7.902 1.00 0.00 O ATOM 0 H ASP A 312 -6.398 -3.006 -4.464 1.00 0.00 H new ATOM 0 HA ASP A 312 -5.198 -3.277 -7.074 1.00 0.00 H new ATOM 0 HB2 ASP A 312 -5.594 -5.194 -5.540 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -7.320 -4.896 -5.603 1.00 0.00 H new ATOM 281 N GLY A 313 -8.098 -1.961 -6.789 1.00 0.00 N ATOM 282 CA GLY A 313 -9.208 -1.379 -7.521 1.00 0.00 C ATOM 283 C GLY A 313 -8.837 -0.073 -8.198 1.00 0.00 C ATOM 284 O GLY A 313 -9.211 0.167 -9.345 1.00 0.00 O ATOM 0 H GLY A 313 -8.030 -1.671 -5.813 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -9.555 -2.088 -8.272 1.00 0.00 H new ATOM 0 HA3 GLY A 313 -10.039 -1.207 -6.837 1.00 0.00 H new ATOM 288 N CYS A 314 -8.099 0.773 -7.484 1.00 0.00 N ATOM 289 CA CYS A 314 -7.679 2.061 -8.026 1.00 0.00 C ATOM 290 C CYS A 314 -6.190 2.306 -7.774 1.00 0.00 C ATOM 291 O CYS A 314 -5.596 1.689 -6.891 1.00 0.00 O ATOM 292 CB CYS A 314 -8.507 3.191 -7.410 1.00 0.00 C ATOM 293 SG CYS A 314 -8.271 3.402 -5.617 1.00 0.00 S ATOM 0 H CYS A 314 -7.781 0.590 -6.532 1.00 0.00 H new ATOM 0 HA CYS A 314 -7.845 2.043 -9.103 1.00 0.00 H new ATOM 0 HB2 CYS A 314 -8.254 4.126 -7.910 1.00 0.00 H new ATOM 0 HB3 CYS A 314 -9.562 3.001 -7.606 1.00 0.00 H new ATOM 298 N PRO A 315 -5.570 3.204 -8.568 1.00 0.00 N ATOM 299 CA PRO A 315 -4.142 3.545 -8.446 1.00 0.00 C ATOM 300 C PRO A 315 -3.813 4.321 -7.168 1.00 0.00 C ATOM 301 O PRO A 315 -3.497 5.509 -7.223 1.00 0.00 O ATOM 302 CB PRO A 315 -3.870 4.434 -9.668 1.00 0.00 C ATOM 303 CG PRO A 315 -5.051 4.269 -10.563 1.00 0.00 C ATOM 304 CD PRO A 315 -6.208 3.945 -9.666 1.00 0.00 C ATOM 0 HA PRO A 315 -3.532 2.643 -8.400 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.746 5.476 -9.373 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -2.952 4.134 -10.173 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -5.241 5.180 -11.131 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -4.883 3.472 -11.287 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -6.708 4.845 -9.310 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -6.960 3.344 -10.177 1.00 0.00 H new ATOM 312 N ARG A 316 -3.860 3.647 -6.024 1.00 0.00 N ATOM 313 CA ARG A 316 -3.572 4.298 -4.750 1.00 0.00 C ATOM 314 C ARG A 316 -2.690 3.431 -3.859 1.00 0.00 C ATOM 315 O ARG A 316 -2.156 2.414 -4.292 1.00 0.00 O ATOM 316 CB ARG A 316 -4.871 4.630 -4.018 1.00 0.00 C ATOM 317 CG ARG A 316 -5.624 5.806 -4.612 1.00 0.00 C ATOM 318 CD ARG A 316 -6.898 6.085 -3.835 1.00 0.00 C ATOM 319 NE ARG A 316 -7.563 7.304 -4.286 1.00 0.00 N ATOM 320 CZ ARG A 316 -8.539 7.905 -3.611 1.00 0.00 C ATOM 321 NH1 ARG A 316 -8.957 7.405 -2.455 1.00 0.00 N ATOM 322 NH2 ARG A 316 -9.095 9.008 -4.091 1.00 0.00 N ATOM 0 H ARG A 316 -4.093 2.657 -5.952 1.00 0.00 H new ATOM 0 HA ARG A 316 -3.031 5.218 -4.970 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -5.518 3.753 -4.029 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -4.644 4.845 -2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -4.988 6.691 -4.604 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -5.867 5.598 -5.654 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -7.579 5.241 -3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -6.663 6.173 -2.774 1.00 0.00 H new ATOM 0 HE ARG A 316 -7.262 7.718 -5.168 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -8.530 6.557 -2.082 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -9.706 7.868 -1.940 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -8.775 9.396 -4.978 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -9.843 9.469 -3.573 1.00 0.00 H new ATOM 336 N ALA A 317 -2.552 3.864 -2.607 1.00 0.00 N ATOM 337 CA ALA A 317 -1.746 3.170 -1.608 1.00 0.00 C ATOM 338 C ALA A 317 -2.055 3.757 -0.223 1.00 0.00 C ATOM 339 O ALA A 317 -2.249 4.965 -0.100 1.00 0.00 O ATOM 340 CB ALA A 317 -0.270 3.314 -1.942 1.00 0.00 C ATOM 0 H ALA A 317 -2.999 4.711 -2.257 1.00 0.00 H new ATOM 0 HA ALA A 317 -1.989 2.107 -1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 317 0.325 2.793 -1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.075 2.882 -2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.000 4.370 -1.950 1.00 0.00 H new ATOM 346 N PHE A 318 -2.107 2.921 0.818 1.00 0.00 N ATOM 347 CA PHE A 318 -2.442 3.415 2.162 1.00 0.00 C ATOM 348 C PHE A 318 -1.404 3.031 3.224 1.00 0.00 C ATOM 349 O PHE A 318 -0.757 1.994 3.140 1.00 0.00 O ATOM 350 CB PHE A 318 -3.825 2.895 2.570 1.00 0.00 C ATOM 351 CG PHE A 318 -4.944 3.508 1.788 1.00 0.00 C ATOM 352 CD1 PHE A 318 -5.117 3.183 0.464 1.00 0.00 C ATOM 353 CD2 PHE A 318 -5.823 4.399 2.380 1.00 0.00 C ATOM 354 CE1 PHE A 318 -6.143 3.734 -0.270 1.00 0.00 C ATOM 355 CE2 PHE A 318 -6.855 4.958 1.652 1.00 0.00 C ATOM 356 CZ PHE A 318 -7.016 4.624 0.323 1.00 0.00 C ATOM 0 H PHE A 318 -1.926 1.919 0.762 1.00 0.00 H new ATOM 0 HA PHE A 318 -2.445 4.504 2.110 1.00 0.00 H new ATOM 0 HB2 PHE A 318 -3.851 1.813 2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 318 -3.981 3.093 3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 318 -4.439 2.486 -0.007 1.00 0.00 H new ATOM 0 HD2 PHE A 318 -5.700 4.659 3.421 1.00 0.00 H new ATOM 0 HE1 PHE A 318 -6.265 3.470 -1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 318 -7.534 5.654 2.122 1.00 0.00 H new ATOM 0 HZ PHE A 318 -7.822 5.057 -0.251 1.00 0.00 H new ATOM 366 N HIS A 319 -1.274 3.886 4.239 1.00 0.00 N ATOM 367 CA HIS A 319 -0.325 3.664 5.334 1.00 0.00 C ATOM 368 C HIS A 319 -0.854 2.662 6.346 1.00 0.00 C ATOM 369 O HIS A 319 -0.591 2.803 7.540 1.00 0.00 O ATOM 370 CB HIS A 319 -0.061 4.969 6.073 1.00 0.00 C ATOM 371 CG HIS A 319 1.120 5.736 5.598 1.00 0.00 C ATOM 372 ND1 HIS A 319 1.040 7.066 5.269 1.00 0.00 N ATOM 373 CD2 HIS A 319 2.410 5.375 5.427 1.00 0.00 C ATOM 374 CE1 HIS A 319 2.238 7.498 4.919 1.00 0.00 C ATOM 375 NE2 HIS A 319 3.087 6.491 5.006 1.00 0.00 N ATOM 0 H HIS A 319 -1.817 4.745 4.327 1.00 0.00 H new ATOM 0 HA HIS A 319 0.589 3.276 4.884 1.00 0.00 H new ATOM 0 HB2 HIS A 319 -0.944 5.602 5.987 1.00 0.00 H new ATOM 0 HB3 HIS A 319 0.071 4.748 7.132 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.829 4.393 5.591 1.00 0.00 H new ATOM 0 HE1 HIS A 319 2.482 8.505 4.613 1.00 0.00 H new ATOM 0 HE2 HIS A 319 4.084 6.536 4.795 1.00 0.00 H new ATOM 383 N LEU A 320 -1.603 1.669 5.888 1.00 0.00 N ATOM 384 CA LEU A 320 -2.154 0.665 6.788 1.00 0.00 C ATOM 385 C LEU A 320 -3.136 1.305 7.760 1.00 0.00 C ATOM 386 O LEU A 320 -4.349 1.209 7.592 1.00 0.00 O ATOM 387 CB LEU A 320 -1.035 -0.009 7.576 1.00 0.00 C ATOM 388 CG LEU A 320 0.062 -0.683 6.748 1.00 0.00 C ATOM 389 CD1 LEU A 320 0.482 -1.968 7.410 1.00 0.00 C ATOM 390 CD2 LEU A 320 -0.403 -0.954 5.329 1.00 0.00 C ATOM 0 H LEU A 320 -1.842 1.537 4.905 1.00 0.00 H new ATOM 0 HA LEU A 320 -2.676 -0.081 6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 320 -0.569 0.739 8.218 1.00 0.00 H new ATOM 0 HB3 LEU A 320 -1.480 -0.759 8.230 1.00 0.00 H new ATOM 0 HG LEU A 320 0.914 -0.005 6.696 1.00 0.00 H new ATOM 0 HD11 LEU A 320 1.263 -2.444 6.817 1.00 0.00 H new ATOM 0 HD12 LEU A 320 0.863 -1.755 8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 320 -0.376 -2.636 7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 320 0.400 -1.433 4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 320 -1.273 -1.611 5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 320 -0.670 -0.013 4.848 1.00 0.00 H new ATOM 402 N ALA A 321 -2.589 1.952 8.782 1.00 0.00 N ATOM 403 CA ALA A 321 -3.391 2.624 9.786 1.00 0.00 C ATOM 404 C ALA A 321 -4.049 3.870 9.214 1.00 0.00 C ATOM 405 O ALA A 321 -4.970 4.427 9.812 1.00 0.00 O ATOM 406 CB ALA A 321 -2.531 2.968 10.988 1.00 0.00 C ATOM 0 H ALA A 321 -1.583 2.023 8.934 1.00 0.00 H new ATOM 0 HA ALA A 321 -4.186 1.950 10.106 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -3.140 3.473 11.738 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -2.116 2.054 11.412 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.719 3.625 10.678 1.00 0.00 H new ATOM 412 N CYS A 322 -3.574 4.306 8.050 1.00 0.00 N ATOM 413 CA CYS A 322 -4.149 5.483 7.394 1.00 0.00 C ATOM 414 C CYS A 322 -5.479 5.110 6.758 1.00 0.00 C ATOM 415 O CYS A 322 -6.134 5.930 6.114 1.00 0.00 O ATOM 416 CB CYS A 322 -3.200 6.051 6.335 1.00 0.00 C ATOM 417 SG CYS A 322 -2.099 7.378 6.954 1.00 0.00 S ATOM 0 H CYS A 322 -2.802 3.870 7.545 1.00 0.00 H new ATOM 0 HA CYS A 322 -4.306 6.255 8.148 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -2.588 5.241 5.939 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -3.790 6.440 5.505 1.00 0.00 H new ATOM 422 N LEU A 323 -5.862 3.856 6.954 1.00 0.00 N ATOM 423 CA LEU A 323 -7.109 3.326 6.417 1.00 0.00 C ATOM 424 C LEU A 323 -8.235 3.447 7.428 1.00 0.00 C ATOM 425 O LEU A 323 -7.982 3.667 8.613 1.00 0.00 O ATOM 426 CB LEU A 323 -6.926 1.853 6.069 1.00 0.00 C ATOM 427 CG LEU A 323 -6.367 1.576 4.693 1.00 0.00 C ATOM 428 CD1 LEU A 323 -5.743 0.194 4.652 1.00 0.00 C ATOM 429 CD2 LEU A 323 -7.469 1.704 3.665 1.00 0.00 C ATOM 0 H LEU A 323 -5.319 3.178 7.489 1.00 0.00 H new ATOM 0 HA LEU A 323 -7.367 3.902 5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 323 -6.265 1.402 6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 323 -7.891 1.354 6.158 1.00 0.00 H new ATOM 0 HG LEU A 323 -5.589 2.304 4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 323 -5.343 0.005 3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 323 -4.937 0.137 5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 323 -6.500 -0.554 4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 323 -7.066 1.504 2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 323 -8.259 0.986 3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 323 -7.878 2.714 3.694 1.00 0.00 H new ATOM 441 N SER A 324 -9.481 3.312 6.969 1.00 0.00 N ATOM 442 CA SER A 324 -10.601 3.362 7.895 1.00 0.00 C ATOM 443 C SER A 324 -10.362 2.282 8.949 1.00 0.00 C ATOM 444 O SER A 324 -10.312 2.586 10.141 1.00 0.00 O ATOM 445 CB SER A 324 -11.951 3.195 7.182 1.00 0.00 C ATOM 446 OG SER A 324 -12.322 4.387 6.509 1.00 0.00 O ATOM 0 H SER A 324 -9.731 3.171 5.990 1.00 0.00 H new ATOM 0 HA SER A 324 -10.656 4.342 8.369 1.00 0.00 H new ATOM 0 HB2 SER A 324 -11.890 2.374 6.468 1.00 0.00 H new ATOM 0 HB3 SER A 324 -12.719 2.929 7.908 1.00 0.00 H new ATOM 0 HG SER A 324 -13.184 4.255 6.061 1.00 0.00 H new ATOM 452 N PRO A 325 -10.209 0.999 8.536 1.00 0.00 N ATOM 453 CA PRO A 325 -9.878 -0.080 9.431 1.00 0.00 C ATOM 454 C PRO A 325 -8.417 -0.461 9.249 1.00 0.00 C ATOM 455 O PRO A 325 -8.055 -1.175 8.313 1.00 0.00 O ATOM 456 CB PRO A 325 -10.784 -1.189 8.965 1.00 0.00 C ATOM 457 CG PRO A 325 -11.057 -0.899 7.510 1.00 0.00 C ATOM 458 CD PRO A 325 -10.418 0.443 7.196 1.00 0.00 C ATOM 0 HA PRO A 325 -10.008 0.159 10.487 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -10.309 -2.162 9.089 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -11.709 -1.209 9.542 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -10.641 -1.682 6.876 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -12.129 -0.870 7.317 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -9.482 0.332 6.649 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -11.068 1.073 6.589 1.00 0.00 H new ATOM 466 N PRO A 326 -7.572 0.018 10.151 1.00 0.00 N ATOM 467 CA PRO A 326 -6.129 -0.199 10.098 1.00 0.00 C ATOM 468 C PRO A 326 -5.721 -1.640 9.911 1.00 0.00 C ATOM 469 O PRO A 326 -6.297 -2.559 10.496 1.00 0.00 O ATOM 470 CB PRO A 326 -5.628 0.325 11.422 1.00 0.00 C ATOM 471 CG PRO A 326 -6.665 1.283 11.873 1.00 0.00 C ATOM 472 CD PRO A 326 -7.975 0.786 11.324 1.00 0.00 C ATOM 0 HA PRO A 326 -5.705 0.306 9.230 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -5.497 -0.483 12.142 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -4.660 0.814 11.312 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -6.696 1.337 12.961 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -6.449 2.288 11.510 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -8.507 0.168 12.047 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -8.639 1.609 11.059 1.00 0.00 H new ATOM 480 N LEU A 327 -4.709 -1.812 9.081 1.00 0.00 N ATOM 481 CA LEU A 327 -4.171 -3.125 8.780 1.00 0.00 C ATOM 482 C LEU A 327 -3.051 -3.504 9.736 1.00 0.00 C ATOM 483 O LEU A 327 -1.874 -3.390 9.390 1.00 0.00 O ATOM 484 CB LEU A 327 -3.642 -3.153 7.359 1.00 0.00 C ATOM 485 CG LEU A 327 -4.563 -2.521 6.335 1.00 0.00 C ATOM 486 CD1 LEU A 327 -3.891 -2.442 4.987 1.00 0.00 C ATOM 487 CD2 LEU A 327 -5.842 -3.313 6.245 1.00 0.00 C ATOM 0 H LEU A 327 -4.238 -1.047 8.598 1.00 0.00 H new ATOM 0 HA LEU A 327 -4.980 -3.847 8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 327 -2.681 -2.639 7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 327 -3.457 -4.189 7.073 1.00 0.00 H new ATOM 0 HG LEU A 327 -4.797 -1.505 6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 327 -4.571 -1.985 4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 327 -2.987 -1.838 5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 327 -3.629 -3.446 4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 327 -6.502 -2.856 5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 327 -5.616 -4.336 5.945 1.00 0.00 H new ATOM 0 HD23 LEU A 327 -6.334 -3.321 7.217 1.00 0.00 H new ATOM 499 N ARG A 328 -3.410 -3.938 10.938 1.00 0.00 N ATOM 500 CA ARG A 328 -2.410 -4.368 11.909 1.00 0.00 C ATOM 501 C ARG A 328 -1.496 -5.380 11.240 1.00 0.00 C ATOM 502 O ARG A 328 -0.344 -5.575 11.631 1.00 0.00 O ATOM 503 CB ARG A 328 -3.081 -5.007 13.123 1.00 0.00 C ATOM 504 CG ARG A 328 -3.636 -4.016 14.131 1.00 0.00 C ATOM 505 CD ARG A 328 -4.633 -3.052 13.506 1.00 0.00 C ATOM 506 NE ARG A 328 -5.109 -2.060 14.467 1.00 0.00 N ATOM 507 CZ ARG A 328 -6.332 -1.541 14.447 1.00 0.00 C ATOM 508 NH1 ARG A 328 -7.205 -1.925 13.524 1.00 0.00 N ATOM 509 NH2 ARG A 328 -6.685 -0.641 15.352 1.00 0.00 N ATOM 0 H ARG A 328 -4.375 -4.002 11.262 1.00 0.00 H new ATOM 0 HA ARG A 328 -1.838 -3.505 12.249 1.00 0.00 H new ATOM 0 HB2 ARG A 328 -3.892 -5.648 12.778 1.00 0.00 H new ATOM 0 HB3 ARG A 328 -2.358 -5.650 13.625 1.00 0.00 H new ATOM 0 HG2 ARG A 328 -4.120 -4.559 14.943 1.00 0.00 H new ATOM 0 HG3 ARG A 328 -2.815 -3.451 14.571 1.00 0.00 H new ATOM 0 HD2 ARG A 328 -4.167 -2.544 12.662 1.00 0.00 H new ATOM 0 HD3 ARG A 328 -5.481 -3.612 13.112 1.00 0.00 H new ATOM 0 HE ARG A 328 -4.466 -1.748 15.195 1.00 0.00 H new ATOM 0 HH11 ARG A 328 -6.938 -2.620 12.827 1.00 0.00 H new ATOM 0 HH12 ARG A 328 -8.143 -1.525 13.511 1.00 0.00 H new ATOM 0 HH21 ARG A 328 -6.018 -0.346 16.065 1.00 0.00 H new ATOM 0 HH22 ARG A 328 -7.624 -0.243 15.336 1.00 0.00 H new ATOM 523 N GLU A 329 -2.050 -6.010 10.212 1.00 0.00 N ATOM 524 CA GLU A 329 -1.353 -7.012 9.420 1.00 0.00 C ATOM 525 C GLU A 329 -1.908 -7.002 8.002 1.00 0.00 C ATOM 526 O GLU A 329 -3.096 -7.240 7.789 1.00 0.00 O ATOM 527 CB GLU A 329 -1.513 -8.405 10.037 1.00 0.00 C ATOM 528 CG GLU A 329 -0.994 -8.507 11.461 1.00 0.00 C ATOM 529 CD GLU A 329 -1.197 -9.885 12.060 1.00 0.00 C ATOM 530 OE1 GLU A 329 -0.303 -10.741 11.897 1.00 0.00 O ATOM 531 OE2 GLU A 329 -2.251 -10.108 12.693 1.00 0.00 O ATOM 0 H GLU A 329 -3.006 -5.837 9.902 1.00 0.00 H new ATOM 0 HA GLU A 329 -0.290 -6.772 9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -2.568 -8.679 10.024 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -0.987 -9.130 9.416 1.00 0.00 H new ATOM 0 HG2 GLU A 329 0.068 -8.262 11.475 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -1.500 -7.767 12.082 1.00 0.00 H new ATOM 538 N ILE A 330 -1.038 -6.718 7.042 1.00 0.00 N ATOM 539 CA ILE A 330 -1.422 -6.636 5.644 1.00 0.00 C ATOM 540 C ILE A 330 -2.355 -7.766 5.197 1.00 0.00 C ATOM 541 O ILE A 330 -2.127 -8.937 5.499 1.00 0.00 O ATOM 542 CB ILE A 330 -0.174 -6.614 4.765 1.00 0.00 C ATOM 543 CG1 ILE A 330 0.606 -5.340 5.070 1.00 0.00 C ATOM 544 CG2 ILE A 330 -0.539 -6.705 3.287 1.00 0.00 C ATOM 545 CD1 ILE A 330 -0.077 -4.084 4.614 1.00 0.00 C ATOM 0 H ILE A 330 -0.048 -6.539 7.213 1.00 0.00 H new ATOM 0 HA ILE A 330 -1.984 -5.709 5.531 1.00 0.00 H new ATOM 0 HB ILE A 330 0.447 -7.482 4.985 1.00 0.00 H new ATOM 0 HG12 ILE A 330 0.777 -5.279 6.145 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.585 -5.403 4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.370 -6.687 2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 330 -1.078 -7.634 3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -1.170 -5.859 3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 330 0.540 -3.222 4.867 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -0.224 -4.121 3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -1.044 -3.996 5.109 1.00 0.00 H new ATOM 557 N PRO A 331 -3.424 -7.397 4.460 1.00 0.00 N ATOM 558 CA PRO A 331 -4.416 -8.342 3.929 1.00 0.00 C ATOM 559 C PRO A 331 -3.778 -9.534 3.221 1.00 0.00 C ATOM 560 O PRO A 331 -2.607 -9.486 2.838 1.00 0.00 O ATOM 561 CB PRO A 331 -5.193 -7.500 2.925 1.00 0.00 C ATOM 562 CG PRO A 331 -5.086 -6.111 3.440 1.00 0.00 C ATOM 563 CD PRO A 331 -3.750 -6.006 4.100 1.00 0.00 C ATOM 0 HA PRO A 331 -5.024 -8.775 4.723 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.770 -7.586 1.924 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -6.233 -7.820 2.860 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -5.176 -5.388 2.629 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -5.887 -5.897 4.148 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -3.004 -5.582 3.428 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -3.788 -5.364 4.980 1.00 0.00 H new ATOM 571 N SER A 332 -4.561 -10.591 3.033 1.00 0.00 N ATOM 572 CA SER A 332 -4.074 -11.797 2.372 1.00 0.00 C ATOM 573 C SER A 332 -4.464 -11.811 0.897 1.00 0.00 C ATOM 574 O SER A 332 -5.647 -11.776 0.557 1.00 0.00 O ATOM 575 CB SER A 332 -4.619 -13.038 3.069 1.00 0.00 C ATOM 576 OG SER A 332 -4.443 -14.195 2.270 1.00 0.00 O ATOM 0 H SER A 332 -5.536 -10.637 3.329 1.00 0.00 H new ATOM 0 HA SER A 332 -2.986 -11.801 2.437 1.00 0.00 H new ATOM 0 HB2 SER A 332 -4.113 -13.173 4.025 1.00 0.00 H new ATOM 0 HB3 SER A 332 -5.678 -12.901 3.286 1.00 0.00 H new ATOM 0 HG SER A 332 -4.800 -14.976 2.742 1.00 0.00 H new ATOM 582 N GLY A 333 -3.460 -11.861 0.024 1.00 0.00 N ATOM 583 CA GLY A 333 -3.717 -11.880 -1.404 1.00 0.00 C ATOM 584 C GLY A 333 -4.001 -10.499 -1.961 1.00 0.00 C ATOM 585 O GLY A 333 -3.146 -9.613 -1.909 1.00 0.00 O ATOM 0 H GLY A 333 -2.473 -11.889 0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -2.856 -12.306 -1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 333 -4.566 -12.532 -1.609 1.00 0.00 H new ATOM 589 N THR A 334 -5.205 -10.316 -2.498 1.00 0.00 N ATOM 590 CA THR A 334 -5.607 -9.034 -3.066 1.00 0.00 C ATOM 591 C THR A 334 -6.145 -8.106 -1.983 1.00 0.00 C ATOM 592 O THR A 334 -6.178 -8.471 -0.807 1.00 0.00 O ATOM 593 CB THR A 334 -6.681 -9.215 -4.156 1.00 0.00 C ATOM 594 OG1 THR A 334 -7.837 -9.856 -3.604 1.00 0.00 O ATOM 595 CG2 THR A 334 -6.141 -10.044 -5.314 1.00 0.00 C ATOM 0 H THR A 334 -5.920 -11.042 -2.551 1.00 0.00 H new ATOM 0 HA THR A 334 -4.719 -8.590 -3.516 1.00 0.00 H new ATOM 0 HB THR A 334 -6.957 -8.229 -4.531 1.00 0.00 H new ATOM 0 HG1 THR A 334 -8.369 -10.250 -4.327 1.00 0.00 H new ATOM 0 HG21 THR A 334 -6.916 -10.159 -6.072 1.00 0.00 H new ATOM 0 HG22 THR A 334 -5.278 -9.541 -5.751 1.00 0.00 H new ATOM 0 HG23 THR A 334 -5.841 -11.027 -4.949 1.00 0.00 H new ATOM 603 N TRP A 335 -6.573 -6.908 -2.382 1.00 0.00 N ATOM 604 CA TRP A 335 -7.100 -5.931 -1.432 1.00 0.00 C ATOM 605 C TRP A 335 -7.579 -4.667 -2.134 1.00 0.00 C ATOM 606 O TRP A 335 -7.027 -4.260 -3.156 1.00 0.00 O ATOM 607 CB TRP A 335 -6.030 -5.570 -0.402 1.00 0.00 C ATOM 608 CG TRP A 335 -6.421 -4.447 0.509 1.00 0.00 C ATOM 609 CD1 TRP A 335 -7.099 -4.552 1.690 1.00 0.00 C ATOM 610 CD2 TRP A 335 -6.160 -3.049 0.318 1.00 0.00 C ATOM 611 NE1 TRP A 335 -7.251 -3.312 2.257 1.00 0.00 N ATOM 612 CE2 TRP A 335 -6.691 -2.375 1.433 1.00 0.00 C ATOM 613 CE3 TRP A 335 -5.523 -2.296 -0.680 1.00 0.00 C ATOM 614 CZ2 TRP A 335 -6.606 -0.998 1.581 1.00 0.00 C ATOM 615 CZ3 TRP A 335 -5.445 -0.924 -0.529 1.00 0.00 C ATOM 616 CH2 TRP A 335 -5.982 -0.289 0.595 1.00 0.00 C ATOM 0 H TRP A 335 -6.565 -6.593 -3.352 1.00 0.00 H new ATOM 0 HA TRP A 335 -7.955 -6.386 -0.931 1.00 0.00 H new ATOM 0 HB2 TRP A 335 -5.806 -6.451 0.199 1.00 0.00 H new ATOM 0 HB3 TRP A 335 -5.113 -5.299 -0.925 1.00 0.00 H new ATOM 0 HD1 TRP A 335 -7.462 -5.476 2.115 1.00 0.00 H new ATOM 0 HE1 TRP A 335 -7.708 -3.120 3.149 1.00 0.00 H new ATOM 0 HE3 TRP A 335 -5.102 -2.779 -1.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 -7.020 -0.503 2.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 -4.961 -0.333 -1.292 1.00 0.00 H new ATOM 0 HH2 TRP A 335 -5.902 0.784 0.685 1.00 0.00 H new ATOM 627 N ARG A 336 -8.613 -4.054 -1.570 1.00 0.00 N ATOM 628 CA ARG A 336 -9.171 -2.825 -2.111 1.00 0.00 C ATOM 629 C ARG A 336 -9.306 -1.774 -1.019 1.00 0.00 C ATOM 630 O ARG A 336 -9.339 -2.099 0.167 1.00 0.00 O ATOM 631 CB ARG A 336 -10.536 -3.104 -2.725 1.00 0.00 C ATOM 632 CG ARG A 336 -10.469 -3.891 -4.015 1.00 0.00 C ATOM 633 CD ARG A 336 -11.805 -3.851 -4.716 1.00 0.00 C ATOM 634 NE ARG A 336 -12.050 -5.054 -5.507 1.00 0.00 N ATOM 635 CZ ARG A 336 -12.079 -5.074 -6.837 1.00 0.00 C ATOM 636 NH1 ARG A 336 -11.871 -3.961 -7.527 1.00 0.00 N ATOM 637 NH2 ARG A 336 -12.313 -6.211 -7.477 1.00 0.00 N ATOM 0 H ARG A 336 -9.084 -4.393 -0.731 1.00 0.00 H new ATOM 0 HA ARG A 336 -8.497 -2.447 -2.880 1.00 0.00 H new ATOM 0 HB2 ARG A 336 -11.144 -3.653 -2.005 1.00 0.00 H new ATOM 0 HB3 ARG A 336 -11.041 -2.157 -2.913 1.00 0.00 H new ATOM 0 HG2 ARG A 336 -9.697 -3.477 -4.663 1.00 0.00 H new ATOM 0 HG3 ARG A 336 -10.190 -4.924 -3.806 1.00 0.00 H new ATOM 0 HD2 ARG A 336 -12.598 -3.737 -3.977 1.00 0.00 H new ATOM 0 HD3 ARG A 336 -11.846 -2.977 -5.366 1.00 0.00 H new ATOM 0 HE ARG A 336 -12.208 -5.931 -5.010 1.00 0.00 H new ATOM 0 HH11 ARG A 336 -11.688 -3.085 -7.038 1.00 0.00 H new ATOM 0 HH12 ARG A 336 -11.894 -3.981 -8.547 1.00 0.00 H new ATOM 0 HH21 ARG A 336 -12.471 -7.070 -6.950 1.00 0.00 H new ATOM 0 HH22 ARG A 336 -12.335 -6.227 -8.497 1.00 0.00 H new ATOM 651 N CYS A 337 -9.389 -0.514 -1.425 1.00 0.00 N ATOM 652 CA CYS A 337 -9.527 0.579 -0.472 1.00 0.00 C ATOM 653 C CYS A 337 -10.987 0.735 -0.079 1.00 0.00 C ATOM 654 O CYS A 337 -11.868 0.287 -0.806 1.00 0.00 O ATOM 655 CB CYS A 337 -8.995 1.885 -1.065 1.00 0.00 C ATOM 656 SG CYS A 337 -10.046 2.590 -2.376 1.00 0.00 S ATOM 0 H CYS A 337 -9.363 -0.224 -2.403 1.00 0.00 H new ATOM 0 HA CYS A 337 -8.940 0.345 0.416 1.00 0.00 H new ATOM 0 HB2 CYS A 337 -8.890 2.618 -0.265 1.00 0.00 H new ATOM 0 HB3 CYS A 337 -7.998 1.708 -1.469 1.00 0.00 H new ATOM 661 N SER A 338 -11.241 1.366 1.062 1.00 0.00 N ATOM 662 CA SER A 338 -12.610 1.553 1.548 1.00 0.00 C ATOM 663 C SER A 338 -13.576 1.903 0.413 1.00 0.00 C ATOM 664 O SER A 338 -14.717 1.437 0.394 1.00 0.00 O ATOM 665 CB SER A 338 -12.652 2.643 2.620 1.00 0.00 C ATOM 666 OG SER A 338 -12.306 3.906 2.080 1.00 0.00 O ATOM 0 H SER A 338 -10.521 1.757 1.669 1.00 0.00 H new ATOM 0 HA SER A 338 -12.932 0.606 1.981 1.00 0.00 H new ATOM 0 HB2 SER A 338 -13.651 2.691 3.054 1.00 0.00 H new ATOM 0 HB3 SER A 338 -11.965 2.389 3.428 1.00 0.00 H new ATOM 0 HG SER A 338 -12.342 4.585 2.786 1.00 0.00 H new ATOM 672 N SER A 339 -13.114 2.714 -0.534 1.00 0.00 N ATOM 673 CA SER A 339 -13.937 3.129 -1.665 1.00 0.00 C ATOM 674 C SER A 339 -14.295 1.956 -2.579 1.00 0.00 C ATOM 675 O SER A 339 -15.469 1.613 -2.737 1.00 0.00 O ATOM 676 CB SER A 339 -13.213 4.205 -2.458 1.00 0.00 C ATOM 677 OG SER A 339 -13.985 4.635 -3.566 1.00 0.00 O ATOM 0 H SER A 339 -12.169 3.098 -0.540 1.00 0.00 H new ATOM 0 HA SER A 339 -14.870 3.527 -1.267 1.00 0.00 H new ATOM 0 HB2 SER A 339 -12.998 5.055 -1.810 1.00 0.00 H new ATOM 0 HB3 SER A 339 -12.255 3.820 -2.807 1.00 0.00 H new ATOM 0 HG SER A 339 -13.496 5.328 -4.056 1.00 0.00 H new ATOM 683 N CYS A 340 -13.280 1.335 -3.175 1.00 0.00 N ATOM 684 CA CYS A 340 -13.494 0.218 -4.077 1.00 0.00 C ATOM 685 C CYS A 340 -14.111 -0.951 -3.328 1.00 0.00 C ATOM 686 O CYS A 340 -14.632 -1.891 -3.928 1.00 0.00 O ATOM 687 CB CYS A 340 -12.172 -0.204 -4.716 1.00 0.00 C ATOM 688 SG CYS A 340 -11.316 1.128 -5.618 1.00 0.00 S ATOM 0 H CYS A 340 -12.301 1.591 -3.046 1.00 0.00 H new ATOM 0 HA CYS A 340 -14.180 0.530 -4.864 1.00 0.00 H new ATOM 0 HB2 CYS A 340 -11.510 -0.583 -3.937 1.00 0.00 H new ATOM 0 HB3 CYS A 340 -12.361 -1.029 -5.403 1.00 0.00 H new ATOM 693 N LEU A 341 -14.038 -0.877 -2.008 1.00 0.00 N ATOM 694 CA LEU A 341 -14.582 -1.907 -1.144 1.00 0.00 C ATOM 695 C LEU A 341 -16.096 -1.803 -1.065 1.00 0.00 C ATOM 696 O LEU A 341 -16.802 -2.804 -1.126 1.00 0.00 O ATOM 697 CB LEU A 341 -13.966 -1.790 0.241 1.00 0.00 C ATOM 698 CG LEU A 341 -12.568 -2.388 0.370 1.00 0.00 C ATOM 699 CD1 LEU A 341 -11.959 -2.048 1.714 1.00 0.00 C ATOM 700 CD2 LEU A 341 -12.631 -3.888 0.166 1.00 0.00 C ATOM 0 H LEU A 341 -13.601 -0.102 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 341 -14.336 -2.883 -1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 341 -13.922 -0.736 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 341 -14.624 -2.280 0.959 1.00 0.00 H new ATOM 0 HG LEU A 341 -11.928 -1.958 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 341 -10.963 -2.485 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 341 -11.888 -0.965 1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 341 -12.587 -2.449 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 341 -11.630 -4.310 0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 341 -13.283 -4.331 0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 341 -13.025 -4.104 -0.827 1.00 0.00 H new ATOM 712 N GLN A 342 -16.587 -0.586 -0.926 1.00 0.00 N ATOM 713 CA GLN A 342 -18.022 -0.353 -0.856 1.00 0.00 C ATOM 714 C GLN A 342 -18.630 -0.364 -2.253 1.00 0.00 C ATOM 715 O GLN A 342 -19.851 -0.391 -2.411 1.00 0.00 O ATOM 716 CB GLN A 342 -18.324 0.969 -0.164 1.00 0.00 C ATOM 717 CG GLN A 342 -17.674 2.146 -0.847 1.00 0.00 C ATOM 718 CD GLN A 342 -18.424 3.445 -0.626 1.00 0.00 C ATOM 719 OE1 GLN A 342 -19.315 3.800 -1.398 1.00 0.00 O ATOM 720 NE2 GLN A 342 -18.064 4.164 0.430 1.00 0.00 N ATOM 0 H GLN A 342 -16.017 0.257 -0.859 1.00 0.00 H new ATOM 0 HA GLN A 342 -18.468 -1.157 -0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 342 -19.403 1.121 -0.136 1.00 0.00 H new ATOM 0 HB3 GLN A 342 -17.982 0.920 0.870 1.00 0.00 H new ATOM 0 HG2 GLN A 342 -16.654 2.255 -0.480 1.00 0.00 H new ATOM 0 HG3 GLN A 342 -17.608 1.948 -1.917 1.00 0.00 H new ATOM 0 HE21 GLN A 342 -17.320 3.832 1.044 1.00 0.00 H new ATOM 0 HE22 GLN A 342 -18.531 5.049 0.628 1.00 0.00 H new ATOM 729 N ALA A 343 -17.765 -0.346 -3.267 1.00 0.00 N ATOM 730 CA ALA A 343 -18.213 -0.350 -4.654 1.00 0.00 C ATOM 731 C ALA A 343 -17.915 -1.676 -5.357 1.00 0.00 C ATOM 732 O ALA A 343 -18.287 -1.861 -6.515 1.00 0.00 O ATOM 733 CB ALA A 343 -17.566 0.799 -5.412 1.00 0.00 C ATOM 0 H ALA A 343 -16.752 -0.329 -3.151 1.00 0.00 H new ATOM 0 HA ALA A 343 -19.296 -0.223 -4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 343 -17.906 0.789 -6.448 1.00 0.00 H new ATOM 0 HB2 ALA A 343 -17.846 1.745 -4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 343 -16.482 0.688 -5.385 1.00 0.00 H new ATOM 739 N THR A 344 -17.246 -2.600 -4.664 1.00 0.00 N ATOM 740 CA THR A 344 -16.911 -3.892 -5.263 1.00 0.00 C ATOM 741 C THR A 344 -16.725 -4.985 -4.210 1.00 0.00 C ATOM 742 O THR A 344 -16.990 -6.158 -4.477 1.00 0.00 O ATOM 743 CB THR A 344 -15.632 -3.800 -6.113 1.00 0.00 C ATOM 744 OG1 THR A 344 -15.706 -2.673 -6.994 1.00 0.00 O ATOM 745 CG2 THR A 344 -15.431 -5.069 -6.927 1.00 0.00 C ATOM 0 H THR A 344 -16.930 -2.480 -3.702 1.00 0.00 H new ATOM 0 HA THR A 344 -17.755 -4.158 -5.899 1.00 0.00 H new ATOM 0 HB THR A 344 -14.784 -3.679 -5.438 1.00 0.00 H new ATOM 0 HG1 THR A 344 -14.887 -2.622 -7.530 1.00 0.00 H new ATOM 0 HG21 THR A 344 -14.521 -4.981 -7.520 1.00 0.00 H new ATOM 0 HG22 THR A 344 -15.345 -5.923 -6.255 1.00 0.00 H new ATOM 0 HG23 THR A 344 -16.283 -5.214 -7.591 1.00 0.00 H new ATOM 753 N VAL A 345 -16.268 -4.600 -3.021 1.00 0.00 N ATOM 754 CA VAL A 345 -16.047 -5.549 -1.933 1.00 0.00 C ATOM 755 C VAL A 345 -15.002 -6.602 -2.304 1.00 0.00 C ATOM 756 O VAL A 345 -15.264 -7.497 -3.110 1.00 0.00 O ATOM 757 CB VAL A 345 -17.360 -6.247 -1.542 1.00 0.00 C ATOM 758 CG1 VAL A 345 -17.099 -7.405 -0.592 1.00 0.00 C ATOM 759 CG2 VAL A 345 -18.334 -5.257 -0.922 1.00 0.00 C ATOM 0 H VAL A 345 -16.043 -3.633 -2.786 1.00 0.00 H new ATOM 0 HA VAL A 345 -15.674 -4.978 -1.083 1.00 0.00 H new ATOM 0 HB VAL A 345 -17.810 -6.648 -2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 345 -18.044 -7.882 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 345 -16.447 -8.132 -1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 345 -16.619 -7.032 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 345 -19.256 -5.773 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 345 -17.889 -4.820 -0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 345 -18.556 -4.467 -1.640 1.00 0.00 H new ATOM 769 N GLN A 346 -13.817 -6.491 -1.706 1.00 0.00 N ATOM 770 CA GLN A 346 -12.735 -7.436 -1.963 1.00 0.00 C ATOM 771 C GLN A 346 -12.462 -8.291 -0.728 1.00 0.00 C ATOM 772 O GLN A 346 -13.060 -9.352 -0.553 1.00 0.00 O ATOM 773 CB GLN A 346 -11.462 -6.697 -2.383 1.00 0.00 C ATOM 774 CG GLN A 346 -10.271 -7.614 -2.629 1.00 0.00 C ATOM 775 CD GLN A 346 -10.545 -8.655 -3.696 1.00 0.00 C ATOM 776 OE1 GLN A 346 -11.030 -9.749 -3.403 1.00 0.00 O ATOM 777 NE2 GLN A 346 -10.233 -8.322 -4.942 1.00 0.00 N ATOM 0 H GLN A 346 -13.583 -5.755 -1.040 1.00 0.00 H new ATOM 0 HA GLN A 346 -13.044 -8.090 -2.778 1.00 0.00 H new ATOM 0 HB2 GLN A 346 -11.665 -6.130 -3.291 1.00 0.00 H new ATOM 0 HB3 GLN A 346 -11.200 -5.976 -1.609 1.00 0.00 H new ATOM 0 HG2 GLN A 346 -9.411 -7.014 -2.925 1.00 0.00 H new ATOM 0 HG3 GLN A 346 -10.005 -8.115 -1.698 1.00 0.00 H new ATOM 0 HE21 GLN A 346 -9.833 -7.405 -5.140 1.00 0.00 H new ATOM 0 HE22 GLN A 346 -10.393 -8.983 -5.702 1.00 0.00 H new ATOM 786 N GLU A 347 -11.556 -7.820 0.127 1.00 0.00 N ATOM 787 CA GLU A 347 -11.209 -8.539 1.347 1.00 0.00 C ATOM 788 C GLU A 347 -10.381 -7.657 2.277 1.00 0.00 C ATOM 789 O GLU A 347 -10.980 -6.991 3.147 1.00 0.00 O ATOM 790 CB GLU A 347 -10.437 -9.817 1.012 1.00 0.00 C ATOM 791 CG GLU A 347 -10.117 -10.671 2.227 1.00 0.00 C ATOM 792 CD GLU A 347 -9.460 -11.985 1.860 1.00 0.00 C ATOM 793 OE1 GLU A 347 -8.217 -12.016 1.742 1.00 0.00 O ATOM 794 OE2 GLU A 347 -10.189 -12.985 1.687 1.00 0.00 O ATOM 795 OXT GLU A 347 -9.141 -7.640 2.128 1.00 0.00 O ATOM 0 H GLU A 347 -11.050 -6.944 -0.004 1.00 0.00 H new ATOM 0 HA GLU A 347 -12.134 -8.809 1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 347 -11.019 -10.409 0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 347 -9.506 -9.549 0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 347 -9.459 -10.114 2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 347 -11.036 -10.870 2.778 1.00 0.00 H new TER 802 GLU A 347 ATOM 803 N ALA B 1 -1.289 -8.208 -0.053 1.00 0.00 N ATOM 804 CA ALA B 1 -2.242 -7.128 -0.422 1.00 0.00 C ATOM 805 C ALA B 1 -1.568 -6.055 -1.271 1.00 0.00 C ATOM 806 O ALA B 1 -2.072 -4.939 -1.394 1.00 0.00 O ATOM 807 CB ALA B 1 -2.854 -6.518 0.827 1.00 0.00 C ATOM 0 H1 ALA B 1 -1.677 -8.757 0.740 1.00 0.00 H new ATOM 0 H2 ALA B 1 -1.142 -8.835 -0.869 1.00 0.00 H new ATOM 0 H3 ALA B 1 -0.380 -7.788 0.229 1.00 0.00 H new ATOM 0 HA ALA B 1 -3.037 -7.571 -1.023 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -3.550 -5.729 0.543 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -3.387 -7.288 1.384 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -2.065 -6.099 1.451 1.00 0.00 H new ATOM 815 N ARG B 2 -0.422 -6.408 -1.852 1.00 0.00 N ATOM 816 CA ARG B 2 0.334 -5.489 -2.699 1.00 0.00 C ATOM 817 C ARG B 2 0.707 -4.216 -1.943 1.00 0.00 C ATOM 818 O ARG B 2 0.113 -3.159 -2.159 1.00 0.00 O ATOM 819 CB ARG B 2 -0.475 -5.129 -3.951 1.00 0.00 C ATOM 820 CG ARG B 2 -1.125 -6.329 -4.623 1.00 0.00 C ATOM 821 CD ARG B 2 -1.924 -5.914 -5.849 1.00 0.00 C ATOM 822 NE ARG B 2 -1.074 -5.332 -6.885 1.00 0.00 N ATOM 823 CZ ARG B 2 -1.542 -4.782 -8.003 1.00 0.00 C ATOM 824 NH1 ARG B 2 -2.849 -4.727 -8.223 1.00 0.00 N ATOM 825 NH2 ARG B 2 -0.703 -4.284 -8.900 1.00 0.00 N ATOM 0 H ARG B 2 0.004 -7.329 -1.750 1.00 0.00 H new ATOM 0 HA ARG B 2 1.254 -5.993 -2.996 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -1.250 -4.412 -3.679 1.00 0.00 H new ATOM 0 HB3 ARG B 2 0.181 -4.633 -4.667 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -0.357 -7.046 -4.913 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -1.781 -6.834 -3.914 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -2.445 -6.782 -6.253 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -2.686 -5.192 -5.557 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.064 -5.348 -6.743 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.499 -5.107 -7.534 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.204 -4.305 -9.081 1.00 0.00 H new ATOM 0 HH21 ARG B 2 0.303 -4.322 -8.734 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -1.063 -3.863 -9.756 1.00 0.00 H new ATOM 839 N THR B 3 1.695 -4.316 -1.055 1.00 0.00 N ATOM 840 CA THR B 3 2.141 -3.161 -0.283 1.00 0.00 C ATOM 841 C THR B 3 3.640 -2.934 -0.458 1.00 0.00 C ATOM 842 O THR B 3 4.461 -3.742 -0.021 1.00 0.00 O ATOM 843 CB THR B 3 1.808 -3.309 1.220 1.00 0.00 C ATOM 844 OG1 THR B 3 2.843 -4.037 1.895 1.00 0.00 O ATOM 845 CG2 THR B 3 0.480 -4.025 1.407 1.00 0.00 C ATOM 0 H THR B 3 2.198 -5.180 -0.854 1.00 0.00 H new ATOM 0 HA THR B 3 1.601 -2.296 -0.667 1.00 0.00 H new ATOM 0 HB THR B 3 1.736 -2.309 1.648 1.00 0.00 H new ATOM 0 HG1 THR B 3 3.518 -4.324 1.245 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.264 -4.119 2.471 1.00 0.00 H new ATOM 0 HG22 THR B 3 -0.313 -3.453 0.925 1.00 0.00 H new ATOM 0 HG23 THR B 3 0.535 -5.017 0.959 1.00 0.00 H new ATOM 853 N LYS B 4 3.988 -1.828 -1.111 1.00 0.00 N ATOM 854 CA LYS B 4 5.386 -1.485 -1.357 1.00 0.00 C ATOM 855 C LYS B 4 5.822 -0.314 -0.482 1.00 0.00 C ATOM 856 O LYS B 4 5.025 0.235 0.277 1.00 0.00 O ATOM 857 CB LYS B 4 5.605 -1.139 -2.835 1.00 0.00 C ATOM 858 CG LYS B 4 4.320 -0.865 -3.604 1.00 0.00 C ATOM 859 CD LYS B 4 4.495 0.263 -4.607 1.00 0.00 C ATOM 860 CE LYS B 4 4.578 1.617 -3.918 1.00 0.00 C ATOM 861 NZ LYS B 4 4.525 2.742 -4.893 1.00 0.00 N ATOM 0 H LYS B 4 3.319 -1.152 -1.480 1.00 0.00 H new ATOM 0 HA LYS B 4 5.992 -2.355 -1.103 1.00 0.00 H new ATOM 0 HB2 LYS B 4 6.249 -0.262 -2.901 1.00 0.00 H new ATOM 0 HB3 LYS B 4 6.135 -1.961 -3.315 1.00 0.00 H new ATOM 0 HG2 LYS B 4 4.008 -1.770 -4.125 1.00 0.00 H new ATOM 0 HG3 LYS B 4 3.524 -0.609 -2.904 1.00 0.00 H new ATOM 0 HD2 LYS B 4 5.400 0.095 -5.190 1.00 0.00 H new ATOM 0 HD3 LYS B 4 3.660 0.261 -5.307 1.00 0.00 H new ATOM 0 HE2 LYS B 4 3.757 1.714 -3.208 1.00 0.00 H new ATOM 0 HE3 LYS B 4 5.504 1.677 -3.345 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 5.220 3.468 -4.624 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 4.746 2.387 -5.845 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 3.572 3.158 -4.892 1.00 0.00 H new ATOM 875 N GLN B 5 7.093 0.061 -0.596 1.00 0.00 N ATOM 876 CA GLN B 5 7.639 1.167 0.185 1.00 0.00 C ATOM 877 C GLN B 5 8.001 2.343 -0.717 1.00 0.00 C ATOM 878 O GLN B 5 8.392 2.156 -1.869 1.00 0.00 O ATOM 879 CB GLN B 5 8.872 0.704 0.963 1.00 0.00 C ATOM 880 CG GLN B 5 9.455 1.772 1.877 1.00 0.00 C ATOM 881 CD GLN B 5 10.699 1.302 2.608 1.00 0.00 C ATOM 882 OE1 GLN B 5 10.971 1.728 3.730 1.00 0.00 O ATOM 883 NE2 GLN B 5 11.466 0.424 1.971 1.00 0.00 N ATOM 0 H GLN B 5 7.764 -0.385 -1.222 1.00 0.00 H new ATOM 0 HA GLN B 5 6.876 1.497 0.889 1.00 0.00 H new ATOM 0 HB2 GLN B 5 8.607 -0.168 1.561 1.00 0.00 H new ATOM 0 HB3 GLN B 5 9.638 0.385 0.256 1.00 0.00 H new ATOM 0 HG2 GLN B 5 9.697 2.656 1.287 1.00 0.00 H new ATOM 0 HG3 GLN B 5 8.702 2.071 2.606 1.00 0.00 H new ATOM 0 HE21 GLN B 5 11.203 0.097 1.041 1.00 0.00 H new ATOM 0 HE22 GLN B 5 12.318 0.077 2.412 1.00 0.00 H new ATOM 892 N THR B 6 7.871 3.554 -0.184 1.00 0.00 N ATOM 893 CA THR B 6 8.182 4.761 -0.942 1.00 0.00 C ATOM 894 C THR B 6 8.783 5.836 -0.042 1.00 0.00 C ATOM 895 O THR B 6 8.852 5.672 1.176 1.00 0.00 O ATOM 896 CB THR B 6 6.925 5.329 -1.628 1.00 0.00 C ATOM 897 OG1 THR B 6 7.281 6.433 -2.469 1.00 0.00 O ATOM 898 CG2 THR B 6 5.905 5.781 -0.594 1.00 0.00 C ATOM 0 H THR B 6 7.552 3.725 0.770 1.00 0.00 H new ATOM 0 HA THR B 6 8.910 4.479 -1.703 1.00 0.00 H new ATOM 0 HB THR B 6 6.481 4.540 -2.235 1.00 0.00 H new ATOM 0 HG1 THR B 6 6.889 6.306 -3.358 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.025 6.179 -1.100 1.00 0.00 H new ATOM 0 HG22 THR B 6 5.615 4.933 0.026 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.343 6.556 0.035 1.00 0.00 H new ATOM 906 N ALA B 7 9.212 6.937 -0.651 1.00 0.00 N ATOM 907 CA ALA B 7 9.804 8.041 0.093 1.00 0.00 C ATOM 908 C ALA B 7 9.512 9.377 -0.583 1.00 0.00 C ATOM 909 O ALA B 7 10.380 9.957 -1.236 1.00 0.00 O ATOM 910 CB ALA B 7 11.304 7.835 0.238 1.00 0.00 C ATOM 0 H ALA B 7 9.160 7.088 -1.659 1.00 0.00 H new ATOM 0 HA ALA B 7 9.355 8.061 1.086 1.00 0.00 H new ATOM 0 HB1 ALA B 7 11.733 8.667 0.796 1.00 0.00 H new ATOM 0 HB2 ALA B 7 11.493 6.904 0.772 1.00 0.00 H new ATOM 0 HB3 ALA B 7 11.762 7.786 -0.750 1.00 0.00 H new ATOM 916 N ARG B 8 8.282 9.859 -0.423 1.00 0.00 N ATOM 917 CA ARG B 8 7.875 11.128 -1.016 1.00 0.00 C ATOM 918 C ARG B 8 8.369 12.297 -0.171 1.00 0.00 C ATOM 919 O ARG B 8 8.381 12.223 1.058 1.00 0.00 O ATOM 920 CB ARG B 8 6.350 11.189 -1.148 1.00 0.00 C ATOM 921 CG ARG B 8 5.740 9.932 -1.747 1.00 0.00 C ATOM 922 CD ARG B 8 6.211 9.701 -3.174 1.00 0.00 C ATOM 923 NE ARG B 8 5.668 10.692 -4.099 1.00 0.00 N ATOM 924 CZ ARG B 8 4.977 10.378 -5.190 1.00 0.00 C ATOM 925 NH1 ARG B 8 4.719 9.107 -5.470 1.00 0.00 N ATOM 926 NH2 ARG B 8 4.534 11.334 -5.995 1.00 0.00 N ATOM 0 H ARG B 8 7.551 9.390 0.112 1.00 0.00 H new ATOM 0 HA ARG B 8 8.320 11.200 -2.008 1.00 0.00 H new ATOM 0 HB2 ARG B 8 5.915 11.360 -0.163 1.00 0.00 H new ATOM 0 HB3 ARG B 8 6.081 12.044 -1.768 1.00 0.00 H new ATOM 0 HG2 ARG B 8 6.005 9.071 -1.133 1.00 0.00 H new ATOM 0 HG3 ARG B 8 4.653 10.012 -1.731 1.00 0.00 H new ATOM 0 HD2 ARG B 8 7.300 9.735 -3.206 1.00 0.00 H new ATOM 0 HD3 ARG B 8 5.913 8.703 -3.497 1.00 0.00 H new ATOM 0 HE ARG B 8 5.828 11.679 -3.897 1.00 0.00 H new ATOM 0 HH11 ARG B 8 5.051 8.370 -4.848 1.00 0.00 H new ATOM 0 HH12 ARG B 8 4.189 8.867 -6.307 1.00 0.00 H new ATOM 0 HH21 ARG B 8 4.723 12.312 -5.777 1.00 0.00 H new ATOM 0 HH22 ARG B 8 4.004 11.091 -6.832 1.00 0.00 H new ATOM 940 N LYS B 9 8.775 13.376 -0.833 1.00 0.00 N ATOM 941 CA LYS B 9 9.270 14.554 -0.132 1.00 0.00 C ATOM 942 C LYS B 9 8.804 15.837 -0.813 1.00 0.00 C ATOM 943 O LYS B 9 8.166 16.684 -0.186 1.00 0.00 O ATOM 944 CB LYS B 9 10.797 14.522 -0.058 1.00 0.00 C ATOM 945 CG LYS B 9 11.388 15.625 0.806 1.00 0.00 C ATOM 946 CD LYS B 9 12.892 15.472 0.950 1.00 0.00 C ATOM 947 CE LYS B 9 13.473 16.531 1.873 1.00 0.00 C ATOM 948 NZ LYS B 9 12.859 16.481 3.229 1.00 0.00 N ATOM 0 H LYS B 9 8.771 13.458 -1.850 1.00 0.00 H new ATOM 0 HA LYS B 9 8.863 14.540 0.879 1.00 0.00 H new ATOM 0 HB2 LYS B 9 11.113 13.556 0.335 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.203 14.605 -1.066 1.00 0.00 H new ATOM 0 HG2 LYS B 9 11.160 16.596 0.365 1.00 0.00 H new ATOM 0 HG3 LYS B 9 10.923 15.605 1.792 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.122 14.481 1.341 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.362 15.545 -0.031 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.550 16.389 1.957 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.315 17.518 1.439 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 13.450 17.015 3.898 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 11.908 16.901 3.195 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.789 15.492 3.542 1.00 0.00 H new ATOM 962 N SER B 10 9.127 15.981 -2.095 1.00 0.00 N ATOM 963 CA SER B 10 8.737 17.168 -2.849 1.00 0.00 C ATOM 964 C SER B 10 8.424 16.823 -4.303 1.00 0.00 C ATOM 965 O SER B 10 7.525 17.407 -4.908 1.00 0.00 O ATOM 966 CB SER B 10 9.846 18.221 -2.793 1.00 0.00 C ATOM 967 OG SER B 10 10.165 18.556 -1.454 1.00 0.00 O ATOM 0 H SER B 10 9.656 15.293 -2.632 1.00 0.00 H new ATOM 0 HA SER B 10 7.834 17.571 -2.391 1.00 0.00 H new ATOM 0 HB2 SER B 10 10.735 17.844 -3.298 1.00 0.00 H new ATOM 0 HB3 SER B 10 9.530 19.116 -3.329 1.00 0.00 H new ATOM 0 HG SER B 10 10.877 19.229 -1.446 1.00 0.00 H new ATOM 973 N THR B 11 9.174 15.874 -4.857 1.00 0.00 N ATOM 974 CA THR B 11 8.977 15.456 -6.241 1.00 0.00 C ATOM 975 C THR B 11 7.541 15.001 -6.482 1.00 0.00 C ATOM 976 O THR B 11 6.937 14.338 -5.639 1.00 0.00 O ATOM 977 CB THR B 11 9.937 14.314 -6.627 1.00 0.00 C ATOM 978 OG1 THR B 11 9.661 13.870 -7.961 1.00 0.00 O ATOM 979 CG2 THR B 11 9.809 13.146 -5.661 1.00 0.00 C ATOM 0 H THR B 11 9.922 15.381 -4.369 1.00 0.00 H new ATOM 0 HA THR B 11 9.189 16.325 -6.864 1.00 0.00 H new ATOM 0 HB THR B 11 10.957 14.696 -6.575 1.00 0.00 H new ATOM 0 HG1 THR B 11 10.277 13.146 -8.199 1.00 0.00 H new ATOM 0 HG21 THR B 11 10.497 12.353 -5.955 1.00 0.00 H new ATOM 0 HG22 THR B 11 10.051 13.480 -4.652 1.00 0.00 H new ATOM 0 HG23 THR B 11 8.787 12.766 -5.682 1.00 0.00 H new ATOM 987 N GLY B 12 6.998 15.368 -7.641 1.00 0.00 N ATOM 988 CA GLY B 12 5.637 14.993 -7.976 1.00 0.00 C ATOM 989 C GLY B 12 5.216 15.499 -9.341 1.00 0.00 C ATOM 990 O GLY B 12 5.571 16.610 -9.735 1.00 0.00 O ATOM 0 H GLY B 12 7.478 15.919 -8.353 1.00 0.00 H new ATOM 0 HA2 GLY B 12 5.546 13.907 -7.950 1.00 0.00 H new ATOM 0 HA3 GLY B 12 4.958 15.388 -7.220 1.00 0.00 H new ATOM 994 N GLY B 13 4.456 14.683 -10.064 1.00 0.00 N ATOM 995 CA GLY B 13 4.000 15.070 -11.386 1.00 0.00 C ATOM 996 C GLY B 13 2.837 14.226 -11.868 1.00 0.00 C ATOM 997 O GLY B 13 1.917 13.932 -11.104 1.00 0.00 O ATOM 0 H GLY B 13 4.148 13.760 -9.758 1.00 0.00 H new ATOM 0 HA2 GLY B 13 3.703 16.119 -11.372 1.00 0.00 H new ATOM 0 HA3 GLY B 13 4.826 14.982 -12.092 1.00 0.00 H new ATOM 1001 N LYS B 14 2.879 13.836 -13.139 1.00 0.00 N ATOM 1002 CA LYS B 14 1.820 13.020 -13.723 1.00 0.00 C ATOM 1003 C LYS B 14 2.403 11.953 -14.646 1.00 0.00 C ATOM 1004 O LYS B 14 2.463 12.134 -15.862 1.00 0.00 O ATOM 1005 CB LYS B 14 0.838 13.904 -14.497 1.00 0.00 C ATOM 1006 CG LYS B 14 -0.352 13.145 -15.062 1.00 0.00 C ATOM 1007 CD LYS B 14 -1.298 14.069 -15.811 1.00 0.00 C ATOM 1008 CE LYS B 14 -2.480 13.309 -16.387 1.00 0.00 C ATOM 1009 NZ LYS B 14 -3.424 14.211 -17.103 1.00 0.00 N ATOM 0 H LYS B 14 3.634 14.072 -13.783 1.00 0.00 H new ATOM 0 HA LYS B 14 1.288 12.521 -12.913 1.00 0.00 H new ATOM 0 HB2 LYS B 14 0.475 14.692 -13.838 1.00 0.00 H new ATOM 0 HB3 LYS B 14 1.369 14.391 -15.315 1.00 0.00 H new ATOM 0 HG2 LYS B 14 0.000 12.362 -15.733 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -0.889 12.653 -14.251 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -1.658 14.847 -15.137 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -0.759 14.569 -16.616 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -2.119 12.542 -17.073 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -3.008 12.795 -15.584 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -4.217 13.654 -17.481 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -3.788 14.927 -16.443 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -2.927 14.682 -17.886 1.00 0.00 H new ATOM 1023 N ALA B 15 2.835 10.842 -14.057 1.00 0.00 N ATOM 1024 CA ALA B 15 3.411 9.742 -14.823 1.00 0.00 C ATOM 1025 C ALA B 15 2.324 8.812 -15.375 1.00 0.00 C ATOM 1026 O ALA B 15 2.322 8.507 -16.568 1.00 0.00 O ATOM 1027 CB ALA B 15 4.405 8.960 -13.973 1.00 0.00 C ATOM 0 H ALA B 15 2.797 10.680 -13.051 1.00 0.00 H new ATOM 0 HA ALA B 15 3.942 10.172 -15.673 1.00 0.00 H new ATOM 0 HB1 ALA B 15 4.824 8.144 -14.562 1.00 0.00 H new ATOM 0 HB2 ALA B 15 5.207 9.623 -13.649 1.00 0.00 H new ATOM 0 HB3 ALA B 15 3.896 8.553 -13.099 1.00 0.00 H new ATOM 1033 N PRO B 16 1.384 8.345 -14.525 1.00 0.00 N ATOM 1034 CA PRO B 16 0.308 7.451 -14.967 1.00 0.00 C ATOM 1035 C PRO B 16 -0.702 8.160 -15.861 1.00 0.00 C ATOM 1036 O PRO B 16 -0.570 9.353 -16.141 1.00 0.00 O ATOM 1037 CB PRO B 16 -0.353 7.010 -13.659 1.00 0.00 C ATOM 1038 CG PRO B 16 -0.064 8.109 -12.699 1.00 0.00 C ATOM 1039 CD PRO B 16 1.289 8.643 -13.079 1.00 0.00 C ATOM 0 HA PRO B 16 0.688 6.623 -15.566 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -1.426 6.868 -13.786 1.00 0.00 H new ATOM 0 HB3 PRO B 16 0.055 6.062 -13.309 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -0.823 8.889 -12.759 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -0.065 7.742 -11.673 1.00 0.00 H new ATOM 0 HD2 PRO B 16 1.368 9.712 -12.884 1.00 0.00 H new ATOM 0 HD3 PRO B 16 2.085 8.156 -12.516 1.00 0.00 H new ATOM 1047 N ARG B 17 -1.709 7.418 -16.308 1.00 0.00 N ATOM 1048 CA ARG B 17 -2.744 7.969 -17.174 1.00 0.00 C ATOM 1049 C ARG B 17 -4.073 8.079 -16.434 1.00 0.00 C ATOM 1050 O ARG B 17 -4.194 7.634 -15.292 1.00 0.00 O ATOM 1051 CB ARG B 17 -2.906 7.093 -18.417 1.00 0.00 C ATOM 1052 CG ARG B 17 -1.666 7.057 -19.296 1.00 0.00 C ATOM 1053 CD ARG B 17 -1.743 5.940 -20.323 1.00 0.00 C ATOM 1054 NE ARG B 17 -1.742 4.622 -19.695 1.00 0.00 N ATOM 1055 CZ ARG B 17 -1.433 3.498 -20.336 1.00 0.00 C ATOM 1056 NH1 ARG B 17 -1.103 3.532 -21.620 1.00 0.00 N ATOM 1057 NH2 ARG B 17 -1.455 2.339 -19.692 1.00 0.00 N ATOM 0 H ARG B 17 -1.830 6.430 -16.084 1.00 0.00 H new ATOM 0 HA ARG B 17 -2.439 8.971 -17.478 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -3.152 6.077 -18.107 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -3.748 7.460 -19.004 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -1.552 8.014 -19.806 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -0.782 6.920 -18.674 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -2.648 6.057 -20.920 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -0.898 6.017 -21.007 1.00 0.00 H new ATOM 0 HE ARG B 17 -1.993 4.559 -18.708 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -1.086 4.422 -22.119 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -0.867 2.669 -22.109 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -1.709 2.309 -18.705 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -1.218 1.478 -20.184 1.00 0.00 H new ATOM 1071 N LYS B 18 -5.066 8.674 -17.090 1.00 0.00 N ATOM 1072 CA LYS B 18 -6.386 8.844 -16.493 1.00 0.00 C ATOM 1073 C LYS B 18 -6.927 7.517 -15.970 1.00 0.00 C ATOM 1074 O LYS B 18 -7.289 7.405 -14.798 1.00 0.00 O ATOM 1075 CB LYS B 18 -7.359 9.434 -17.516 1.00 0.00 C ATOM 1076 CG LYS B 18 -7.007 10.849 -17.947 1.00 0.00 C ATOM 1077 CD LYS B 18 -8.032 11.410 -18.920 1.00 0.00 C ATOM 1078 CE LYS B 18 -9.381 11.624 -18.251 1.00 0.00 C ATOM 1079 NZ LYS B 18 -9.287 12.559 -17.097 1.00 0.00 N ATOM 0 H LYS B 18 -4.981 9.046 -18.036 1.00 0.00 H new ATOM 0 HA LYS B 18 -6.288 9.531 -15.653 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -7.382 8.791 -18.396 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -8.363 9.432 -17.093 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -6.947 11.493 -17.069 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -6.022 10.853 -18.413 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -7.671 12.356 -19.324 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -8.147 10.727 -19.762 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -10.089 12.018 -18.980 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -9.773 10.666 -17.911 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -10.237 12.903 -16.851 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -8.876 12.063 -16.281 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -8.682 13.365 -17.352 1.00 0.00 H new ATOM 1093 N GLN B 19 -6.974 6.515 -16.844 1.00 0.00 N ATOM 1094 CA GLN B 19 -7.470 5.195 -16.471 1.00 0.00 C ATOM 1095 C GLN B 19 -8.880 5.289 -15.895 1.00 0.00 C ATOM 1096 O GLN B 19 -9.090 5.082 -14.699 1.00 0.00 O ATOM 1097 CB GLN B 19 -6.532 4.538 -15.456 1.00 0.00 C ATOM 1098 CG GLN B 19 -5.124 4.316 -15.987 1.00 0.00 C ATOM 1099 CD GLN B 19 -5.088 3.380 -17.181 1.00 0.00 C ATOM 1100 OE1 GLN B 19 -4.227 3.506 -18.054 1.00 0.00 O ATOM 1101 NE2 GLN B 19 -6.019 2.434 -17.227 1.00 0.00 N ATOM 0 H GLN B 19 -6.674 6.593 -17.816 1.00 0.00 H new ATOM 0 HA GLN B 19 -7.503 4.580 -17.370 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -6.481 5.162 -14.563 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -6.953 3.580 -15.152 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -4.692 5.276 -16.270 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -4.501 3.908 -15.192 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -6.713 2.365 -16.483 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -6.040 1.776 -18.006 1.00 0.00 H new ATOM 1110 N LEU B 20 -9.842 5.607 -16.755 1.00 0.00 N ATOM 1111 CA LEU B 20 -11.234 5.731 -16.335 1.00 0.00 C ATOM 1112 C LEU B 20 -11.986 4.418 -16.535 1.00 0.00 C ATOM 1113 O LEU B 20 -13.195 4.412 -16.765 1.00 0.00 O ATOM 1114 CB LEU B 20 -11.923 6.865 -17.105 1.00 0.00 C ATOM 1115 CG LEU B 20 -11.592 6.944 -18.598 1.00 0.00 C ATOM 1116 CD1 LEU B 20 -12.286 5.829 -19.368 1.00 0.00 C ATOM 1117 CD2 LEU B 20 -11.985 8.302 -19.158 1.00 0.00 C ATOM 0 H LEU B 20 -9.684 5.784 -17.747 1.00 0.00 H new ATOM 0 HA LEU B 20 -11.248 5.969 -15.271 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -13.002 6.752 -16.995 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -11.653 7.813 -16.640 1.00 0.00 H new ATOM 0 HG LEU B 20 -10.516 6.818 -18.715 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -12.035 5.907 -20.426 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -11.955 4.863 -18.987 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -13.365 5.918 -19.243 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -11.743 8.341 -20.220 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -13.056 8.455 -19.024 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -11.438 9.085 -18.632 1.00 0.00 H new ATOM 1129 N CYS B 21 -11.259 3.307 -16.442 1.00 0.00 N ATOM 1130 CA CYS B 21 -11.851 1.986 -16.611 1.00 0.00 C ATOM 1131 C CYS B 21 -12.954 1.745 -15.584 1.00 0.00 C ATOM 1132 O CYS B 21 -12.629 1.330 -14.452 1.00 0.00 O ATOM 1133 CB CYS B 21 -10.777 0.902 -16.486 1.00 0.00 C ATOM 1134 SG CYS B 21 -9.442 1.045 -17.697 1.00 0.00 S ATOM 1135 OXT CYS B 21 -14.135 1.974 -15.921 1.00 0.00 O ATOM 0 H CYS B 21 -10.257 3.297 -16.250 1.00 0.00 H new ATOM 0 HA CYS B 21 -12.291 1.940 -17.607 1.00 0.00 H new ATOM 0 HB2 CYS B 21 -10.350 0.942 -15.484 1.00 0.00 H new ATOM 0 HB3 CYS B 21 -11.248 -0.075 -16.593 1.00 0.00 H new ATOM 0 HG CYS B 21 -8.583 0.087 -17.511 1.00 0.00 H new TER 1141 CYS B 21 HETATM 1142 ZN ZN A 401 -0.731 8.196 5.255 1.00 0.00 ZN HETATM 1143 ZN ZN A 501 -9.416 1.757 -4.447 1.00 0.00 ZN