USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 443 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 44 CYS SG : rot 147:sc= 0.625 USER MOD Set 1.2: A 47 CYS SG : rot -47:sc= 0.39 USER MOD Set 1.3: A 71 CYS SG : rot -137:sc= 0.527 USER MOD Set 1.4: A 74 CYS SG : rot 103:sc= 0.0514 USER MOD Set 2.1: A 29 CYS SG : rot 165:sc= 0.671 USER MOD Set 2.2: A 32 CYS SG : rot -60:sc= 0.748 USER MOD Set 2.3: A 52 HIS : no HD1:sc= -1.38 X(o=0.44,f=0.13) USER MOD Set 2.4: A 55 CYS SG : rot 49:sc= 0.408 USER MOD Set 3.1: A 13 CYS SG : rot 168:sc= 0.47 USER MOD Set 3.2: A 16 CYS SG : rot -52:sc= 0.663 USER MOD Set 3.3: A 24 CYS SG : rot -163:sc= -0.25 USER MOD Set 3.4: A 27 CYS SG : rot 141:sc= 0.744 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-3!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 104:sc= 0.963 USER MOD Single : A 35 LYS NZ :NH3+ -144:sc= 0.374 (180deg=-0.251) USER MOD Single : A 36 HIS : no HD1:sc= -0.241 K(o=-0.24,f=-0.97) USER MOD Single : A 39 ASN : amide:sc= -0.0257 X(o=-0.026,f=-0.00034) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -2.4 K(o=-2.4,f=-5.6!) USER MOD Single : A 48 ASN : amide:sc= -0.056 X(o=-0.056,f=-0.056) USER MOD Single : A 51 TYR OH : rot -130:sc= -0.688 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.2 K(o=-0.2,f=-1.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -46:sc= 0.00274 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 13 -9.829 11.820 10.955 1.00 0.00 N ATOM 146 CA CYS A 13 -9.188 10.998 11.975 1.00 0.00 C ATOM 147 C CYS A 13 -9.197 11.705 13.327 1.00 0.00 C ATOM 148 O CYS A 13 -8.753 12.848 13.445 1.00 0.00 O ATOM 149 CB CYS A 13 -7.750 10.671 11.568 1.00 0.00 C ATOM 150 SG CYS A 13 -6.990 9.329 12.537 1.00 0.00 S ATOM 0 HA CYS A 13 -9.752 10.070 12.065 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.736 10.396 10.513 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.141 11.569 11.672 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.882 8.957 11.968 1.00 0.00 H new ATOM 155 N ASP A 14 -9.705 11.018 14.344 1.00 0.00 N ATOM 156 CA ASP A 14 -9.771 11.579 15.689 1.00 0.00 C ATOM 157 C ASP A 14 -8.516 11.233 16.484 1.00 0.00 C ATOM 158 O ASP A 14 -8.113 11.973 17.382 1.00 0.00 O ATOM 159 CB ASP A 14 -11.012 11.063 16.420 1.00 0.00 C ATOM 160 CG ASP A 14 -12.300 11.573 15.805 1.00 0.00 C ATOM 161 OD1 ASP A 14 -12.506 11.355 14.593 1.00 0.00 O ATOM 162 OD2 ASP A 14 -13.102 12.191 16.536 1.00 0.00 O ATOM 0 H ASP A 14 -10.077 10.072 14.263 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.836 12.663 15.601 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.012 9.973 16.405 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.967 11.367 17.466 1.00 0.00 H new ATOM 167 N LEU A 15 -7.903 10.103 16.149 1.00 0.00 N ATOM 168 CA LEU A 15 -6.694 9.657 16.833 1.00 0.00 C ATOM 169 C LEU A 15 -5.641 10.761 16.851 1.00 0.00 C ATOM 170 O LEU A 15 -4.866 10.878 17.801 1.00 0.00 O ATOM 171 CB LEU A 15 -6.130 8.409 16.151 1.00 0.00 C ATOM 172 CG LEU A 15 -6.913 7.114 16.367 1.00 0.00 C ATOM 173 CD1 LEU A 15 -7.982 6.953 15.298 1.00 0.00 C ATOM 174 CD2 LEU A 15 -5.974 5.917 16.370 1.00 0.00 C ATOM 0 H LEU A 15 -8.223 9.479 15.408 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.956 9.413 17.863 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.072 8.600 15.079 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.110 8.256 16.504 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.405 7.167 17.338 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.529 6.026 15.468 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.672 7.795 15.344 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.512 6.922 14.315 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.549 5.004 16.525 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.454 5.860 15.414 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.246 6.028 17.173 1.00 0.00 H new ATOM 186 N CYS A 16 -5.619 11.569 15.797 1.00 0.00 N ATOM 187 CA CYS A 16 -4.663 12.664 15.691 1.00 0.00 C ATOM 188 C CYS A 16 -5.381 13.995 15.484 1.00 0.00 C ATOM 189 O CYS A 16 -4.956 15.029 15.997 1.00 0.00 O ATOM 190 CB CYS A 16 -3.691 12.411 14.537 1.00 0.00 C ATOM 191 SG CYS A 16 -4.503 12.029 12.952 1.00 0.00 S ATOM 0 H CYS A 16 -6.254 11.486 15.003 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.102 12.715 16.624 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.061 13.291 14.407 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.033 11.584 14.805 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.354 11.061 13.123 1.00 0.00 H new ATOM 196 N GLY A 17 -6.474 13.960 14.727 1.00 0.00 N ATOM 197 CA GLY A 17 -7.234 15.168 14.465 1.00 0.00 C ATOM 198 C GLY A 17 -7.144 15.606 13.016 1.00 0.00 C ATOM 199 O GLY A 17 -8.037 16.284 12.509 1.00 0.00 O ATOM 0 H GLY A 17 -6.846 13.117 14.291 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.279 15.000 14.727 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.869 15.970 15.107 1.00 0.00 H new ATOM 203 N GLY A 18 -6.061 15.220 12.348 1.00 0.00 N ATOM 204 CA GLY A 18 -5.877 15.589 10.957 1.00 0.00 C ATOM 205 C GLY A 18 -4.737 16.569 10.762 1.00 0.00 C ATOM 206 O GLY A 18 -4.934 17.663 10.233 1.00 0.00 O ATOM 0 H GLY A 18 -5.308 14.658 12.746 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.685 14.692 10.369 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.799 16.029 10.576 1.00 0.00 H new ATOM 210 N ASP A 19 -3.543 16.178 11.193 1.00 0.00 N ATOM 211 CA ASP A 19 -2.367 17.031 11.064 1.00 0.00 C ATOM 212 C ASP A 19 -1.090 16.198 11.055 1.00 0.00 C ATOM 213 O ASP A 19 -1.041 15.086 11.582 1.00 0.00 O ATOM 214 CB ASP A 19 -2.320 18.047 12.206 1.00 0.00 C ATOM 215 CG ASP A 19 -2.630 19.456 11.741 1.00 0.00 C ATOM 216 OD1 ASP A 19 -1.960 19.931 10.800 1.00 0.00 O ATOM 217 OD2 ASP A 19 -3.542 20.085 12.318 1.00 0.00 O ATOM 0 H ASP A 19 -3.364 15.276 11.635 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.438 17.565 10.116 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.034 17.756 12.976 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.331 18.028 12.665 1.00 0.00 H new ATOM 222 N PRO A 20 -0.030 16.745 10.441 1.00 0.00 N ATOM 223 CA PRO A 20 1.267 16.068 10.348 1.00 0.00 C ATOM 224 C PRO A 20 1.972 15.978 11.697 1.00 0.00 C ATOM 225 O PRO A 20 2.456 14.915 12.084 1.00 0.00 O ATOM 226 CB PRO A 20 2.062 16.956 9.388 1.00 0.00 C ATOM 227 CG PRO A 20 1.443 18.305 9.519 1.00 0.00 C ATOM 228 CD PRO A 20 -0.016 18.066 9.791 1.00 0.00 C ATOM 0 HA PRO A 20 1.165 15.036 10.011 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.119 16.978 9.653 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.998 16.589 8.364 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.904 18.869 10.330 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.580 18.887 8.608 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.436 18.837 10.438 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.602 18.068 8.872 1.00 0.00 H new ATOM 236 N GLU A 21 2.025 17.100 12.409 1.00 0.00 N ATOM 237 CA GLU A 21 2.671 17.146 13.715 1.00 0.00 C ATOM 238 C GLU A 21 1.988 16.195 14.694 1.00 0.00 C ATOM 239 O GLU A 21 2.645 15.544 15.506 1.00 0.00 O ATOM 240 CB GLU A 21 2.648 18.571 14.270 1.00 0.00 C ATOM 241 CG GLU A 21 1.247 19.114 14.495 1.00 0.00 C ATOM 242 CD GLU A 21 1.212 20.628 14.568 1.00 0.00 C ATOM 243 OE1 GLU A 21 2.297 21.247 14.548 1.00 0.00 O ATOM 244 OE2 GLU A 21 0.102 21.194 14.644 1.00 0.00 O ATOM 0 H GLU A 21 1.628 17.989 12.103 1.00 0.00 H new ATOM 0 HA GLU A 21 3.707 16.829 13.591 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.193 18.593 15.214 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.177 19.229 13.581 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.597 18.778 13.687 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.845 18.700 15.420 1.00 0.00 H new ATOM 251 N LYS A 22 0.664 16.121 14.611 1.00 0.00 N ATOM 252 CA LYS A 22 -0.111 15.251 15.487 1.00 0.00 C ATOM 253 C LYS A 22 0.186 13.783 15.197 1.00 0.00 C ATOM 254 O LYS A 22 -0.414 13.182 14.306 1.00 0.00 O ATOM 255 CB LYS A 22 -1.607 15.523 15.317 1.00 0.00 C ATOM 256 CG LYS A 22 -2.039 16.889 15.823 1.00 0.00 C ATOM 257 CD LYS A 22 -2.797 16.783 17.135 1.00 0.00 C ATOM 258 CE LYS A 22 -2.303 17.805 18.148 1.00 0.00 C ATOM 259 NZ LYS A 22 -2.742 19.185 17.803 1.00 0.00 N ATOM 0 H LYS A 22 0.105 16.654 13.945 1.00 0.00 H new ATOM 0 HA LYS A 22 0.176 15.465 16.517 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.866 15.438 14.262 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.170 14.754 15.846 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.162 17.522 15.959 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.669 17.372 15.076 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.861 16.933 16.955 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.681 15.779 17.543 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.674 17.543 19.139 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.215 17.772 18.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.385 19.852 18.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.367 19.445 16.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.781 19.224 17.782 1.00 0.00 H new ATOM 273 N LYS A 23 1.114 13.211 15.956 1.00 0.00 N ATOM 274 CA LYS A 23 1.489 11.812 15.784 1.00 0.00 C ATOM 275 C LYS A 23 0.262 10.909 15.842 1.00 0.00 C ATOM 276 O LYS A 23 -0.642 11.124 16.650 1.00 0.00 O ATOM 277 CB LYS A 23 2.494 11.396 16.860 1.00 0.00 C ATOM 278 CG LYS A 23 3.659 10.583 16.323 1.00 0.00 C ATOM 279 CD LYS A 23 4.953 10.917 17.047 1.00 0.00 C ATOM 280 CE LYS A 23 5.524 12.247 16.582 1.00 0.00 C ATOM 281 NZ LYS A 23 6.948 12.410 16.985 1.00 0.00 N ATOM 0 H LYS A 23 1.621 13.695 16.697 1.00 0.00 H new ATOM 0 HA LYS A 23 1.951 11.704 14.803 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.881 12.290 17.349 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.977 10.814 17.623 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.443 9.520 16.433 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.777 10.776 15.257 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.771 10.953 18.121 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.683 10.126 16.874 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.443 12.318 15.497 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.933 13.062 16.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.301 13.329 16.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.022 12.368 18.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.517 11.647 16.566 1.00 0.00 H new ATOM 295 N CYS A 24 0.236 9.896 14.981 1.00 0.00 N ATOM 296 CA CYS A 24 -0.879 8.959 14.935 1.00 0.00 C ATOM 297 C CYS A 24 -0.379 7.525 14.786 1.00 0.00 C ATOM 298 O CYS A 24 0.738 7.291 14.322 1.00 0.00 O ATOM 299 CB CYS A 24 -1.817 9.307 13.777 1.00 0.00 C ATOM 300 SG CYS A 24 -3.510 8.665 13.974 1.00 0.00 S ATOM 0 H CYS A 24 0.976 9.704 14.306 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.427 9.038 15.874 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.861 10.391 13.672 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.396 8.914 12.852 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.117 8.681 12.824 1.00 0.00 H new ATOM 305 N HIS A 25 -1.213 6.569 15.181 1.00 0.00 N ATOM 306 CA HIS A 25 -0.856 5.158 15.091 1.00 0.00 C ATOM 307 C HIS A 25 -1.494 4.514 13.864 1.00 0.00 C ATOM 308 O HIS A 25 -0.974 3.538 13.322 1.00 0.00 O ATOM 309 CB HIS A 25 -1.294 4.417 16.355 1.00 0.00 C ATOM 310 CG HIS A 25 -0.160 4.075 17.272 1.00 0.00 C ATOM 311 ND1 HIS A 25 1.046 3.577 16.824 1.00 0.00 N ATOM 312 CD2 HIS A 25 -0.053 4.162 18.618 1.00 0.00 C ATOM 313 CE1 HIS A 25 1.845 3.372 17.855 1.00 0.00 C ATOM 314 NE2 HIS A 25 1.203 3.719 18.956 1.00 0.00 N ATOM 0 H HIS A 25 -2.141 6.746 15.567 1.00 0.00 H new ATOM 0 HA HIS A 25 0.228 5.088 14.995 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.015 5.031 16.895 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.808 3.500 16.069 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.813 4.514 19.300 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.853 2.986 17.806 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.578 3.667 19.903 1.00 0.00 H new ATOM 322 N SER A 26 -2.623 5.065 13.431 1.00 0.00 N ATOM 323 CA SER A 26 -3.334 4.542 12.271 1.00 0.00 C ATOM 324 C SER A 26 -2.801 5.160 10.982 1.00 0.00 C ATOM 325 O SER A 26 -2.390 4.452 10.063 1.00 0.00 O ATOM 326 CB SER A 26 -4.834 4.816 12.399 1.00 0.00 C ATOM 327 OG SER A 26 -5.522 4.447 11.216 1.00 0.00 O ATOM 0 H SER A 26 -3.065 5.874 13.867 1.00 0.00 H new ATOM 0 HA SER A 26 -3.171 3.465 12.232 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.237 4.261 13.246 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.998 5.874 12.604 1.00 0.00 H new ATOM 0 HG SER A 26 -6.479 4.630 11.323 1.00 0.00 H new ATOM 333 N CYS A 27 -2.811 6.488 10.922 1.00 0.00 N ATOM 334 CA CYS A 27 -2.329 7.205 9.748 1.00 0.00 C ATOM 335 C CYS A 27 -0.897 6.799 9.412 1.00 0.00 C ATOM 336 O CYS A 27 -0.468 6.888 8.262 1.00 0.00 O ATOM 337 CB CYS A 27 -2.401 8.715 9.981 1.00 0.00 C ATOM 338 SG CYS A 27 -4.084 9.339 10.295 1.00 0.00 S ATOM 0 H CYS A 27 -3.148 7.089 11.674 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.969 6.943 8.906 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.766 8.972 10.829 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.992 9.226 9.110 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.041 10.259 11.212 1.00 0.00 H new ATOM 343 N SER A 28 -0.161 6.352 10.426 1.00 0.00 N ATOM 344 CA SER A 28 1.224 5.936 10.240 1.00 0.00 C ATOM 345 C SER A 28 1.459 4.550 10.833 1.00 0.00 C ATOM 346 O SER A 28 0.515 3.857 11.214 1.00 0.00 O ATOM 347 CB SER A 28 2.174 6.947 10.885 1.00 0.00 C ATOM 348 OG SER A 28 2.288 6.722 12.279 1.00 0.00 O ATOM 0 H SER A 28 -0.501 6.269 11.384 1.00 0.00 H new ATOM 0 HA SER A 28 1.424 5.893 9.169 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.157 6.875 10.420 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.810 7.959 10.705 1.00 0.00 H new ATOM 0 HG SER A 28 3.143 6.282 12.471 1.00 0.00 H new ATOM 354 N CYS A 29 2.724 4.152 10.908 1.00 0.00 N ATOM 355 CA CYS A 29 3.086 2.850 11.454 1.00 0.00 C ATOM 356 C CYS A 29 2.461 2.644 12.830 1.00 0.00 C ATOM 357 O CYS A 29 2.617 3.475 13.725 1.00 0.00 O ATOM 358 CB CYS A 29 4.608 2.718 11.548 1.00 0.00 C ATOM 359 SG CYS A 29 5.188 1.023 11.880 1.00 0.00 S ATOM 0 H CYS A 29 3.517 4.713 10.597 1.00 0.00 H new ATOM 0 HA CYS A 29 2.702 2.083 10.782 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.051 3.066 10.615 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.971 3.376 12.337 1.00 0.00 H new ATOM 0 HG CYS A 29 6.463 0.945 11.638 1.00 0.00 H new ATOM 364 N ARG A 30 1.752 1.531 12.992 1.00 0.00 N ATOM 365 CA ARG A 30 1.102 1.217 14.258 1.00 0.00 C ATOM 366 C ARG A 30 1.997 0.335 15.124 1.00 0.00 C ATOM 367 O ARG A 30 1.818 0.255 16.340 1.00 0.00 O ATOM 368 CB ARG A 30 -0.235 0.516 14.009 1.00 0.00 C ATOM 369 CG ARG A 30 -1.291 0.830 15.056 1.00 0.00 C ATOM 370 CD ARG A 30 -2.583 1.312 14.416 1.00 0.00 C ATOM 371 NE ARG A 30 -3.761 0.722 15.047 1.00 0.00 N ATOM 372 CZ ARG A 30 -4.151 -0.532 14.846 1.00 0.00 C ATOM 373 NH1 ARG A 30 -3.461 -1.323 14.036 1.00 0.00 N ATOM 374 NH2 ARG A 30 -5.233 -0.997 15.457 1.00 0.00 N ATOM 0 H ARG A 30 1.614 0.832 12.262 1.00 0.00 H new ATOM 0 HA ARG A 30 0.921 2.153 14.787 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.611 0.806 13.028 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.071 -0.561 13.982 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.489 -0.060 15.653 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.914 1.593 15.737 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.639 2.398 14.487 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.577 1.062 13.355 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.314 1.304 15.676 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.628 -0.969 13.565 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.763 -2.285 13.884 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.766 -0.392 16.081 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.532 -1.960 15.302 1.00 0.00 H new ATOM 388 N VAL A 31 2.961 -0.325 14.490 1.00 0.00 N ATOM 389 CA VAL A 31 3.885 -1.200 15.202 1.00 0.00 C ATOM 390 C VAL A 31 4.818 -0.398 16.103 1.00 0.00 C ATOM 391 O VAL A 31 4.672 -0.401 17.326 1.00 0.00 O ATOM 392 CB VAL A 31 4.729 -2.039 14.225 1.00 0.00 C ATOM 393 CG1 VAL A 31 5.720 -2.908 14.985 1.00 0.00 C ATOM 394 CG2 VAL A 31 3.831 -2.890 13.340 1.00 0.00 C ATOM 0 H VAL A 31 3.122 -0.270 13.484 1.00 0.00 H new ATOM 0 HA VAL A 31 3.279 -1.869 15.814 1.00 0.00 H new ATOM 0 HB VAL A 31 5.293 -1.360 13.585 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.307 -3.494 14.278 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.385 -2.274 15.571 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.179 -3.580 15.651 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.444 -3.476 12.656 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.238 -3.561 13.962 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.166 -2.243 12.768 1.00 0.00 H new ATOM 404 N CYS A 32 5.776 0.290 15.491 1.00 0.00 N ATOM 405 CA CYS A 32 6.734 1.097 16.237 1.00 0.00 C ATOM 406 C CYS A 32 6.123 2.438 16.632 1.00 0.00 C ATOM 407 O CYS A 32 6.538 3.057 17.612 1.00 0.00 O ATOM 408 CB CYS A 32 7.997 1.325 15.405 1.00 0.00 C ATOM 409 SG CYS A 32 7.771 2.472 14.008 1.00 0.00 S ATOM 0 H CYS A 32 5.909 0.305 14.480 1.00 0.00 H new ATOM 0 HA CYS A 32 6.998 0.556 17.146 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.782 1.711 16.055 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.344 0.366 15.021 1.00 0.00 H new ATOM 0 HG CYS A 32 6.858 2.007 13.208 1.00 0.00 H new ATOM 414 N GLY A 33 5.134 2.882 15.862 1.00 0.00 N ATOM 415 CA GLY A 33 4.482 4.147 16.148 1.00 0.00 C ATOM 416 C GLY A 33 5.216 5.327 15.543 1.00 0.00 C ATOM 417 O GLY A 33 5.285 6.398 16.144 1.00 0.00 O ATOM 0 H GLY A 33 4.773 2.389 15.046 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.462 4.122 15.764 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.413 4.281 17.228 1.00 0.00 H new ATOM 421 N GLY A 34 5.768 5.131 14.349 1.00 0.00 N ATOM 422 CA GLY A 34 6.496 6.196 13.684 1.00 0.00 C ATOM 423 C GLY A 34 5.679 6.863 12.595 1.00 0.00 C ATOM 424 O GLY A 34 4.824 6.231 11.974 1.00 0.00 O ATOM 0 H GLY A 34 5.724 4.254 13.831 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.794 6.943 14.420 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.411 5.792 13.252 1.00 0.00 H new ATOM 428 N LYS A 35 5.941 8.145 12.363 1.00 0.00 N ATOM 429 CA LYS A 35 5.224 8.900 11.342 1.00 0.00 C ATOM 430 C LYS A 35 6.193 9.490 10.322 1.00 0.00 C ATOM 431 O LYS A 35 6.055 10.644 9.915 1.00 0.00 O ATOM 432 CB LYS A 35 4.403 10.018 11.987 1.00 0.00 C ATOM 433 CG LYS A 35 3.346 10.605 11.068 1.00 0.00 C ATOM 434 CD LYS A 35 2.173 11.167 11.853 1.00 0.00 C ATOM 435 CE LYS A 35 0.849 10.867 11.168 1.00 0.00 C ATOM 436 NZ LYS A 35 -0.278 11.620 11.785 1.00 0.00 N ATOM 0 H LYS A 35 6.645 8.683 12.868 1.00 0.00 H new ATOM 0 HA LYS A 35 4.551 8.216 10.825 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.918 9.631 12.883 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.076 10.813 12.307 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.789 11.394 10.460 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.991 9.835 10.383 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.169 10.742 12.857 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.291 12.245 11.963 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.921 11.123 10.111 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.645 9.798 11.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.135 11.030 11.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.035 11.866 12.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.452 12.490 11.243 1.00 0.00 H new ATOM 450 N HIS A 36 7.172 8.690 9.910 1.00 0.00 N ATOM 451 CA HIS A 36 8.162 9.134 8.935 1.00 0.00 C ATOM 452 C HIS A 36 8.264 8.146 7.777 1.00 0.00 C ATOM 453 O HIS A 36 7.662 7.073 7.810 1.00 0.00 O ATOM 454 CB HIS A 36 9.528 9.298 9.603 1.00 0.00 C ATOM 455 CG HIS A 36 9.993 8.071 10.324 1.00 0.00 C ATOM 456 ND1 HIS A 36 9.440 7.641 11.511 1.00 0.00 N ATOM 457 CD2 HIS A 36 10.965 7.180 10.019 1.00 0.00 C ATOM 458 CE1 HIS A 36 10.053 6.539 11.906 1.00 0.00 C ATOM 459 NE2 HIS A 36 10.982 6.238 11.017 1.00 0.00 N ATOM 0 H HIS A 36 7.301 7.732 10.236 1.00 0.00 H new ATOM 0 HA HIS A 36 7.841 10.098 8.540 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.264 9.565 8.845 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.481 10.128 10.308 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.608 7.206 9.152 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.832 5.980 12.803 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.610 5.436 11.064 1.00 0.00 H new ATOM 467 N GLU A 37 9.030 8.516 6.755 1.00 0.00 N ATOM 468 CA GLU A 37 9.209 7.662 5.587 1.00 0.00 C ATOM 469 C GLU A 37 7.862 7.293 4.971 1.00 0.00 C ATOM 470 O GLU A 37 7.433 6.139 5.001 1.00 0.00 O ATOM 471 CB GLU A 37 9.973 6.393 5.967 1.00 0.00 C ATOM 472 CG GLU A 37 11.397 6.655 6.428 1.00 0.00 C ATOM 473 CD GLU A 37 12.432 6.154 5.439 1.00 0.00 C ATOM 474 OE1 GLU A 37 12.717 4.938 5.446 1.00 0.00 O ATOM 475 OE2 GLU A 37 12.956 6.976 4.660 1.00 0.00 O ATOM 0 H GLU A 37 9.536 9.401 6.713 1.00 0.00 H new ATOM 0 HA GLU A 37 9.787 8.217 4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.432 5.877 6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.996 5.722 5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.534 7.725 6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.557 6.172 7.392 1.00 0.00 H new ATOM 482 N PRO A 38 7.178 8.296 4.401 1.00 0.00 N ATOM 483 CA PRO A 38 5.870 8.102 3.768 1.00 0.00 C ATOM 484 C PRO A 38 5.965 7.300 2.474 1.00 0.00 C ATOM 485 O PRO A 38 4.965 6.781 1.980 1.00 0.00 O ATOM 486 CB PRO A 38 5.401 9.530 3.478 1.00 0.00 C ATOM 487 CG PRO A 38 6.655 10.327 3.372 1.00 0.00 C ATOM 488 CD PRO A 38 7.628 9.696 4.329 1.00 0.00 C ATOM 0 HA PRO A 38 5.190 7.536 4.404 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.823 9.577 2.555 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.760 9.906 4.275 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.043 10.311 2.354 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.477 11.371 3.629 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.653 9.770 3.967 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.600 10.178 5.306 1.00 0.00 H new ATOM 496 N ASN A 39 7.174 7.203 1.931 1.00 0.00 N ATOM 497 CA ASN A 39 7.399 6.464 0.694 1.00 0.00 C ATOM 498 C ASN A 39 7.532 4.970 0.970 1.00 0.00 C ATOM 499 O ASN A 39 7.158 4.140 0.142 1.00 0.00 O ATOM 500 CB ASN A 39 8.657 6.978 -0.010 1.00 0.00 C ATOM 501 CG ASN A 39 9.019 6.148 -1.226 1.00 0.00 C ATOM 502 OD1 ASN A 39 8.411 6.285 -2.288 1.00 0.00 O ATOM 503 ND2 ASN A 39 10.013 5.281 -1.076 1.00 0.00 N ATOM 0 H ASN A 39 8.013 7.627 2.328 1.00 0.00 H new ATOM 0 HA ASN A 39 6.538 6.620 0.045 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.503 8.014 -0.313 1.00 0.00 H new ATOM 0 HB3 ASN A 39 9.491 6.972 0.692 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.301 4.695 -1.859 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.489 5.201 -0.177 1.00 0.00 H new ATOM 510 N MET A 40 8.068 4.635 2.139 1.00 0.00 N ATOM 511 CA MET A 40 8.249 3.240 2.525 1.00 0.00 C ATOM 512 C MET A 40 7.093 2.763 3.398 1.00 0.00 C ATOM 513 O MET A 40 7.249 1.845 4.203 1.00 0.00 O ATOM 514 CB MET A 40 9.573 3.063 3.270 1.00 0.00 C ATOM 515 CG MET A 40 10.785 3.519 2.474 1.00 0.00 C ATOM 516 SD MET A 40 11.777 2.141 1.867 1.00 0.00 S ATOM 517 CE MET A 40 12.801 1.805 3.298 1.00 0.00 C ATOM 0 H MET A 40 8.385 5.310 2.835 1.00 0.00 H new ATOM 0 HA MET A 40 8.268 2.637 1.617 1.00 0.00 H new ATOM 0 HB2 MET A 40 9.532 3.622 4.205 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.695 2.012 3.532 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.454 4.123 1.629 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.406 4.160 3.100 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.472 0.974 3.079 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.388 2.691 3.541 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.167 1.545 4.146 1.00 0.00 H new ATOM 527 N GLN A 41 5.934 3.393 3.233 1.00 0.00 N ATOM 528 CA GLN A 41 4.752 3.032 4.008 1.00 0.00 C ATOM 529 C GLN A 41 3.754 2.261 3.151 1.00 0.00 C ATOM 530 O GLN A 41 3.383 2.703 2.062 1.00 0.00 O ATOM 531 CB GLN A 41 4.090 4.287 4.580 1.00 0.00 C ATOM 532 CG GLN A 41 4.550 4.629 5.988 1.00 0.00 C ATOM 533 CD GLN A 41 3.591 5.559 6.705 1.00 0.00 C ATOM 534 OE1 GLN A 41 3.201 5.309 7.846 1.00 0.00 O ATOM 535 NE2 GLN A 41 3.206 6.642 6.038 1.00 0.00 N ATOM 0 H GLN A 41 5.788 4.155 2.571 1.00 0.00 H new ATOM 0 HA GLN A 41 5.068 2.390 4.830 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.301 5.131 3.923 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.009 4.148 4.584 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.658 3.710 6.564 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.535 5.094 5.942 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.554 6.810 5.094 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.563 7.305 6.470 1.00 0.00 H new ATOM 544 N LEU A 42 3.322 1.107 3.648 1.00 0.00 N ATOM 545 CA LEU A 42 2.366 0.274 2.927 1.00 0.00 C ATOM 546 C LEU A 42 0.954 0.473 3.468 1.00 0.00 C ATOM 547 O LEU A 42 0.720 0.375 4.673 1.00 0.00 O ATOM 548 CB LEU A 42 2.763 -1.200 3.034 1.00 0.00 C ATOM 549 CG LEU A 42 4.260 -1.500 2.955 1.00 0.00 C ATOM 550 CD1 LEU A 42 4.524 -2.973 3.223 1.00 0.00 C ATOM 551 CD2 LEU A 42 4.814 -1.095 1.597 1.00 0.00 C ATOM 0 H LEU A 42 3.619 0.727 4.547 1.00 0.00 H new ATOM 0 HA LEU A 42 2.379 0.572 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.384 -1.590 3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.260 -1.750 2.238 1.00 0.00 H new ATOM 0 HG LEU A 42 4.769 -0.916 3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.595 -3.168 3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.164 -3.232 4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.003 -3.577 2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.881 -1.316 1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.300 -1.652 0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.659 -0.027 1.445 1.00 0.00 H new ATOM 563 N LEU A 43 0.016 0.751 2.570 1.00 0.00 N ATOM 564 CA LEU A 43 -1.375 0.961 2.956 1.00 0.00 C ATOM 565 C LEU A 43 -2.201 -0.300 2.726 1.00 0.00 C ATOM 566 O LEU A 43 -2.047 -0.979 1.710 1.00 0.00 O ATOM 567 CB LEU A 43 -1.973 2.128 2.167 1.00 0.00 C ATOM 568 CG LEU A 43 -2.501 3.298 2.997 1.00 0.00 C ATOM 569 CD1 LEU A 43 -3.751 2.890 3.761 1.00 0.00 C ATOM 570 CD2 LEU A 43 -1.430 3.801 3.952 1.00 0.00 C ATOM 0 H LEU A 43 0.193 0.836 1.569 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.399 1.199 4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.212 2.507 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.789 1.746 1.554 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.764 4.110 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.112 3.736 4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.523 2.580 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.515 2.061 4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.824 4.634 4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.135 2.996 4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.562 4.135 3.383 1.00 0.00 H new ATOM 582 N CYS A 44 -3.080 -0.607 3.674 1.00 0.00 N ATOM 583 CA CYS A 44 -3.933 -1.785 3.575 1.00 0.00 C ATOM 584 C CYS A 44 -5.167 -1.494 2.726 1.00 0.00 C ATOM 585 O CYS A 44 -5.719 -0.394 2.772 1.00 0.00 O ATOM 586 CB CYS A 44 -4.358 -2.251 4.969 1.00 0.00 C ATOM 587 SG CYS A 44 -5.465 -3.698 4.963 1.00 0.00 S ATOM 0 H CYS A 44 -3.220 -0.055 4.520 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.361 -2.577 3.093 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.466 -2.491 5.548 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -4.857 -1.427 5.480 1.00 0.00 H new ATOM 0 HG CYS A 44 -5.232 -4.427 6.014 1.00 0.00 H new ATOM 592 N ASP A 45 -5.593 -2.486 1.952 1.00 0.00 N ATOM 593 CA ASP A 45 -6.763 -2.337 1.094 1.00 0.00 C ATOM 594 C ASP A 45 -8.019 -2.844 1.794 1.00 0.00 C ATOM 595 O ASP A 45 -8.870 -3.483 1.177 1.00 0.00 O ATOM 596 CB ASP A 45 -6.557 -3.092 -0.220 1.00 0.00 C ATOM 597 CG ASP A 45 -7.048 -2.309 -1.422 1.00 0.00 C ATOM 598 OD1 ASP A 45 -6.614 -1.151 -1.593 1.00 0.00 O ATOM 599 OD2 ASP A 45 -7.868 -2.854 -2.190 1.00 0.00 O ATOM 0 H ASP A 45 -5.146 -3.401 1.901 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.892 -1.276 0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.498 -3.316 -0.344 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.081 -4.046 -0.173 1.00 0.00 H new ATOM 604 N GLU A 46 -8.127 -2.555 3.087 1.00 0.00 N ATOM 605 CA GLU A 46 -9.279 -2.984 3.872 1.00 0.00 C ATOM 606 C GLU A 46 -9.547 -2.015 5.020 1.00 0.00 C ATOM 607 O GLU A 46 -10.621 -1.420 5.108 1.00 0.00 O ATOM 608 CB GLU A 46 -9.054 -4.394 4.422 1.00 0.00 C ATOM 609 CG GLU A 46 -10.308 -5.032 4.994 1.00 0.00 C ATOM 610 CD GLU A 46 -11.415 -5.166 3.967 1.00 0.00 C ATOM 611 OE1 GLU A 46 -11.338 -6.087 3.128 1.00 0.00 O ATOM 612 OE2 GLU A 46 -12.360 -4.350 4.003 1.00 0.00 O ATOM 0 H GLU A 46 -7.431 -2.026 3.613 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.150 -2.993 3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.665 -5.028 3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.290 -4.354 5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.062 -6.018 5.388 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.666 -4.434 5.832 1.00 0.00 H new ATOM 619 N CYS A 47 -8.562 -1.862 5.899 1.00 0.00 N ATOM 620 CA CYS A 47 -8.689 -0.968 7.043 1.00 0.00 C ATOM 621 C CYS A 47 -7.991 0.362 6.774 1.00 0.00 C ATOM 622 O CYS A 47 -8.192 1.338 7.496 1.00 0.00 O ATOM 623 CB CYS A 47 -8.101 -1.621 8.296 1.00 0.00 C ATOM 624 SG CYS A 47 -6.335 -2.044 8.154 1.00 0.00 S ATOM 0 H CYS A 47 -7.666 -2.346 5.840 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.749 -0.776 7.206 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.235 -0.946 9.142 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.664 -2.527 8.519 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.125 -2.658 7.028 1.00 0.00 H new ATOM 629 N ASN A 48 -7.169 0.392 5.730 1.00 0.00 N ATOM 630 CA ASN A 48 -6.440 1.601 5.365 1.00 0.00 C ATOM 631 C ASN A 48 -5.464 2.002 6.467 1.00 0.00 C ATOM 632 O ASN A 48 -5.611 3.054 7.089 1.00 0.00 O ATOM 633 CB ASN A 48 -7.416 2.747 5.091 1.00 0.00 C ATOM 634 CG ASN A 48 -8.590 2.315 4.234 1.00 0.00 C ATOM 635 OD1 ASN A 48 -8.412 1.835 3.115 1.00 0.00 O ATOM 636 ND2 ASN A 48 -9.799 2.483 4.758 1.00 0.00 N ATOM 0 H ASN A 48 -6.991 -0.407 5.122 1.00 0.00 H new ATOM 0 HA ASN A 48 -5.871 1.392 4.459 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.786 3.139 6.038 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.887 3.560 4.594 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.627 2.210 4.228 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.900 2.885 5.690 1.00 0.00 H new ATOM 643 N VAL A 49 -4.467 1.155 6.704 1.00 0.00 N ATOM 644 CA VAL A 49 -3.466 1.421 7.730 1.00 0.00 C ATOM 645 C VAL A 49 -2.062 1.439 7.136 1.00 0.00 C ATOM 646 O VAL A 49 -1.704 0.574 6.338 1.00 0.00 O ATOM 647 CB VAL A 49 -3.522 0.370 8.855 1.00 0.00 C ATOM 648 CG1 VAL A 49 -3.108 -0.996 8.331 1.00 0.00 C ATOM 649 CG2 VAL A 49 -2.642 0.792 10.022 1.00 0.00 C ATOM 0 H VAL A 49 -4.331 0.279 6.199 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.694 2.402 8.148 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.550 0.299 9.212 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.154 -1.725 9.140 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.783 -1.299 7.531 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.090 -0.945 7.946 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.693 0.038 10.808 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.611 0.893 9.683 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.990 1.748 10.413 1.00 0.00 H new ATOM 659 N ALA A 50 -1.271 2.431 7.531 1.00 0.00 N ATOM 660 CA ALA A 50 0.095 2.560 7.040 1.00 0.00 C ATOM 661 C ALA A 50 1.070 1.782 7.917 1.00 0.00 C ATOM 662 O ALA A 50 1.123 1.981 9.131 1.00 0.00 O ATOM 663 CB ALA A 50 0.496 4.027 6.975 1.00 0.00 C ATOM 0 H ALA A 50 -1.553 3.157 8.190 1.00 0.00 H new ATOM 0 HA ALA A 50 0.135 2.138 6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.519 4.109 6.607 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.176 4.558 6.301 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.433 4.466 7.971 1.00 0.00 H new ATOM 669 N TYR A 51 1.840 0.896 7.296 1.00 0.00 N ATOM 670 CA TYR A 51 2.811 0.085 8.021 1.00 0.00 C ATOM 671 C TYR A 51 4.166 0.102 7.321 1.00 0.00 C ATOM 672 O TYR A 51 4.247 -0.003 6.096 1.00 0.00 O ATOM 673 CB TYR A 51 2.310 -1.354 8.150 1.00 0.00 C ATOM 674 CG TYR A 51 1.438 -1.585 9.364 1.00 0.00 C ATOM 675 CD1 TYR A 51 1.959 -1.485 10.648 1.00 0.00 C ATOM 676 CD2 TYR A 51 0.092 -1.902 9.226 1.00 0.00 C ATOM 677 CE1 TYR A 51 1.166 -1.696 11.759 1.00 0.00 C ATOM 678 CE2 TYR A 51 -0.709 -2.113 10.332 1.00 0.00 C ATOM 679 CZ TYR A 51 -0.168 -2.009 11.596 1.00 0.00 C ATOM 680 OH TYR A 51 -0.961 -2.219 12.700 1.00 0.00 O ATOM 0 H TYR A 51 1.811 0.721 6.292 1.00 0.00 H new ATOM 0 HA TYR A 51 2.931 0.512 9.017 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.747 -1.616 7.254 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.167 -2.026 8.196 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.002 -1.238 10.780 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.335 -1.985 8.238 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.588 -1.616 12.750 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.753 -2.358 10.207 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.453 -3.060 12.594 1.00 0.00 H new ATOM 690 N HIS A 52 5.230 0.237 8.107 1.00 0.00 N ATOM 691 CA HIS A 52 6.583 0.267 7.564 1.00 0.00 C ATOM 692 C HIS A 52 6.970 -1.094 6.994 1.00 0.00 C ATOM 693 O HIS A 52 6.353 -2.110 7.315 1.00 0.00 O ATOM 694 CB HIS A 52 7.580 0.682 8.646 1.00 0.00 C ATOM 695 CG HIS A 52 7.399 2.092 9.118 1.00 0.00 C ATOM 696 ND1 HIS A 52 7.911 2.558 10.311 1.00 0.00 N ATOM 697 CD2 HIS A 52 6.758 3.140 8.551 1.00 0.00 C ATOM 698 CE1 HIS A 52 7.592 3.832 10.457 1.00 0.00 C ATOM 699 NE2 HIS A 52 6.893 4.209 9.402 1.00 0.00 N ATOM 0 H HIS A 52 5.181 0.327 9.122 1.00 0.00 H new ATOM 0 HA HIS A 52 6.608 0.999 6.757 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.482 0.007 9.497 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.593 0.564 8.260 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.237 3.136 7.605 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.858 4.458 11.296 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.515 5.143 9.245 1.00 0.00 H new ATOM 707 N ILE A 53 7.994 -1.106 6.148 1.00 0.00 N ATOM 708 CA ILE A 53 8.463 -2.342 5.534 1.00 0.00 C ATOM 709 C ILE A 53 9.375 -3.115 6.481 1.00 0.00 C ATOM 710 O ILE A 53 9.662 -4.292 6.261 1.00 0.00 O ATOM 711 CB ILE A 53 9.220 -2.067 4.221 1.00 0.00 C ATOM 712 CG1 ILE A 53 10.438 -1.180 4.486 1.00 0.00 C ATOM 713 CG2 ILE A 53 8.295 -1.418 3.203 1.00 0.00 C ATOM 714 CD1 ILE A 53 11.709 -1.690 3.842 1.00 0.00 C ATOM 0 H ILE A 53 8.515 -0.274 5.872 1.00 0.00 H new ATOM 0 HA ILE A 53 7.579 -2.941 5.315 1.00 0.00 H new ATOM 0 HB ILE A 53 9.568 -3.016 3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.232 -0.175 4.118 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.592 -1.100 5.562 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.844 -1.230 2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.457 -2.083 2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.920 -0.475 3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.531 -1.012 4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.939 -2.683 4.228 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.574 -1.743 2.762 1.00 0.00 H new ATOM 726 N TYR A 54 9.826 -2.446 7.536 1.00 0.00 N ATOM 727 CA TYR A 54 10.706 -3.069 8.518 1.00 0.00 C ATOM 728 C TYR A 54 10.030 -3.149 9.883 1.00 0.00 C ATOM 729 O TYR A 54 10.695 -3.172 10.918 1.00 0.00 O ATOM 730 CB TYR A 54 12.015 -2.286 8.630 1.00 0.00 C ATOM 731 CG TYR A 54 11.820 -0.789 8.721 1.00 0.00 C ATOM 732 CD1 TYR A 54 11.533 -0.179 9.936 1.00 0.00 C ATOM 733 CD2 TYR A 54 11.920 0.014 7.592 1.00 0.00 C ATOM 734 CE1 TYR A 54 11.353 1.188 10.024 1.00 0.00 C ATOM 735 CE2 TYR A 54 11.743 1.382 7.671 1.00 0.00 C ATOM 736 CZ TYR A 54 11.459 1.964 8.889 1.00 0.00 C ATOM 737 OH TYR A 54 11.281 3.326 8.972 1.00 0.00 O ATOM 0 H TYR A 54 9.597 -1.472 7.733 1.00 0.00 H new ATOM 0 HA TYR A 54 10.924 -4.082 8.181 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.558 -2.627 9.511 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.638 -2.511 7.764 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.449 -0.784 10.827 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.140 -0.439 6.636 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.131 1.646 10.976 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.827 1.992 6.784 1.00 0.00 H new ATOM 0 HH TYR A 54 11.390 3.725 8.084 1.00 0.00 H new ATOM 747 N CYS A 55 8.702 -3.192 9.876 1.00 0.00 N ATOM 748 CA CYS A 55 7.932 -3.270 11.112 1.00 0.00 C ATOM 749 C CYS A 55 6.801 -4.286 10.985 1.00 0.00 C ATOM 750 O CYS A 55 5.831 -4.250 11.743 1.00 0.00 O ATOM 751 CB CYS A 55 7.361 -1.896 11.469 1.00 0.00 C ATOM 752 SG CYS A 55 8.619 -0.671 11.953 1.00 0.00 S ATOM 0 H CYS A 55 8.136 -3.174 9.028 1.00 0.00 H new ATOM 0 HA CYS A 55 8.601 -3.596 11.908 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.805 -1.512 10.613 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.649 -2.012 12.286 1.00 0.00 H new ATOM 0 HG CYS A 55 9.581 -0.668 11.078 1.00 0.00 H new ATOM 757 N LEU A 56 6.932 -5.192 10.022 1.00 0.00 N ATOM 758 CA LEU A 56 5.921 -6.219 9.795 1.00 0.00 C ATOM 759 C LEU A 56 6.238 -7.480 10.592 1.00 0.00 C ATOM 760 O LEU A 56 7.216 -7.526 11.337 1.00 0.00 O ATOM 761 CB LEU A 56 5.831 -6.553 8.305 1.00 0.00 C ATOM 762 CG LEU A 56 5.039 -5.569 7.443 1.00 0.00 C ATOM 763 CD1 LEU A 56 5.125 -5.956 5.975 1.00 0.00 C ATOM 764 CD2 LEU A 56 3.587 -5.511 7.897 1.00 0.00 C ATOM 0 H LEU A 56 7.728 -5.236 9.386 1.00 0.00 H new ATOM 0 HA LEU A 56 4.960 -5.830 10.133 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.843 -6.621 7.907 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.381 -7.540 8.201 1.00 0.00 H new ATOM 0 HG LEU A 56 5.476 -4.578 7.562 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.555 -5.244 5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.167 -5.945 5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.714 -6.956 5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.038 -4.806 7.273 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.138 -6.500 7.808 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.543 -5.185 8.936 1.00 0.00 H new ATOM 776 N ASN A 57 5.405 -8.503 10.428 1.00 0.00 N ATOM 777 CA ASN A 57 5.598 -9.766 11.132 1.00 0.00 C ATOM 778 C ASN A 57 5.100 -10.938 10.291 1.00 0.00 C ATOM 779 O ASN A 57 3.915 -11.272 10.288 1.00 0.00 O ATOM 780 CB ASN A 57 4.868 -9.741 12.476 1.00 0.00 C ATOM 781 CG ASN A 57 5.612 -10.508 13.552 1.00 0.00 C ATOM 782 OD1 ASN A 57 6.842 -10.563 13.553 1.00 0.00 O ATOM 783 ND2 ASN A 57 4.867 -11.105 14.475 1.00 0.00 N ATOM 0 H ASN A 57 4.591 -8.482 9.814 1.00 0.00 H new ATOM 0 HA ASN A 57 6.666 -9.896 11.309 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.736 -8.707 12.796 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.872 -10.166 12.353 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.311 -11.636 15.224 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.850 -11.033 14.435 1.00 0.00 H new ATOM 790 N PRO A 58 6.025 -11.578 9.561 1.00 0.00 N ATOM 791 CA PRO A 58 7.438 -11.189 9.557 1.00 0.00 C ATOM 792 C PRO A 58 7.669 -9.853 8.858 1.00 0.00 C ATOM 793 O PRO A 58 6.785 -9.311 8.196 1.00 0.00 O ATOM 794 CB PRO A 58 8.116 -12.322 8.783 1.00 0.00 C ATOM 795 CG PRO A 58 7.044 -12.879 7.911 1.00 0.00 C ATOM 796 CD PRO A 58 5.763 -12.731 8.684 1.00 0.00 C ATOM 0 HA PRO A 58 7.826 -11.053 10.566 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.954 -11.952 8.193 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.512 -13.081 9.458 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.993 -12.342 6.964 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.238 -13.925 7.674 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.914 -12.550 8.024 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.534 -13.629 9.258 1.00 0.00 H new ATOM 804 N PRO A 59 8.886 -9.309 9.007 1.00 0.00 N ATOM 805 CA PRO A 59 9.262 -8.031 8.396 1.00 0.00 C ATOM 806 C PRO A 59 9.383 -8.126 6.879 1.00 0.00 C ATOM 807 O PRO A 59 9.107 -9.171 6.289 1.00 0.00 O ATOM 808 CB PRO A 59 10.625 -7.725 9.023 1.00 0.00 C ATOM 809 CG PRO A 59 11.174 -9.057 9.402 1.00 0.00 C ATOM 810 CD PRO A 59 9.989 -9.901 9.782 1.00 0.00 C ATOM 0 HA PRO A 59 8.513 -7.259 8.573 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.279 -7.213 8.318 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.524 -7.076 9.893 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.721 -9.504 8.572 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.873 -8.969 10.234 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.143 -10.949 9.525 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.794 -9.861 10.854 1.00 0.00 H new ATOM 818 N LEU A 60 9.797 -7.030 6.253 1.00 0.00 N ATOM 819 CA LEU A 60 9.955 -6.991 4.803 1.00 0.00 C ATOM 820 C LEU A 60 11.291 -6.364 4.418 1.00 0.00 C ATOM 821 O LEU A 60 11.566 -5.211 4.750 1.00 0.00 O ATOM 822 CB LEU A 60 8.808 -6.204 4.167 1.00 0.00 C ATOM 823 CG LEU A 60 7.724 -7.036 3.480 1.00 0.00 C ATOM 824 CD1 LEU A 60 6.619 -6.137 2.946 1.00 0.00 C ATOM 825 CD2 LEU A 60 8.323 -7.870 2.357 1.00 0.00 C ATOM 0 H LEU A 60 10.029 -6.157 6.726 1.00 0.00 H new ATOM 0 HA LEU A 60 9.935 -8.016 4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.337 -5.598 4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.229 -5.515 3.434 1.00 0.00 H new ATOM 0 HG LEU A 60 7.291 -7.712 4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.857 -6.747 2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.170 -5.583 3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.037 -5.436 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.537 -8.455 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.783 -7.211 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.078 -8.541 2.765 1.00 0.00 H new ATOM 837 N ASP A 61 12.117 -7.131 3.714 1.00 0.00 N ATOM 838 CA ASP A 61 13.424 -6.650 3.281 1.00 0.00 C ATOM 839 C ASP A 61 13.293 -5.336 2.517 1.00 0.00 C ATOM 840 O ASP A 61 14.211 -4.516 2.510 1.00 0.00 O ATOM 841 CB ASP A 61 14.111 -7.698 2.404 1.00 0.00 C ATOM 842 CG ASP A 61 14.869 -8.728 3.218 1.00 0.00 C ATOM 843 OD1 ASP A 61 15.275 -8.403 4.353 1.00 0.00 O ATOM 844 OD2 ASP A 61 15.057 -9.857 2.720 1.00 0.00 O ATOM 0 H ASP A 61 11.905 -8.088 3.431 1.00 0.00 H new ATOM 0 HA ASP A 61 14.032 -6.475 4.168 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.363 -8.202 1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.800 -7.201 1.721 1.00 0.00 H new ATOM 849 N LYS A 62 12.147 -5.143 1.873 1.00 0.00 N ATOM 850 CA LYS A 62 11.895 -3.929 1.106 1.00 0.00 C ATOM 851 C LYS A 62 10.411 -3.788 0.783 1.00 0.00 C ATOM 852 O LYS A 62 9.579 -4.535 1.299 1.00 0.00 O ATOM 853 CB LYS A 62 12.710 -3.941 -0.189 1.00 0.00 C ATOM 854 CG LYS A 62 12.305 -5.043 -1.153 1.00 0.00 C ATOM 855 CD LYS A 62 13.497 -5.892 -1.562 1.00 0.00 C ATOM 856 CE LYS A 62 13.057 -7.188 -2.225 1.00 0.00 C ATOM 857 NZ LYS A 62 14.211 -7.948 -2.780 1.00 0.00 N ATOM 0 H LYS A 62 11.377 -5.812 1.867 1.00 0.00 H new ATOM 0 HA LYS A 62 12.200 -3.076 1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.601 -2.977 -0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.766 -4.055 0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.549 -5.676 -0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.849 -4.603 -2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.129 -5.328 -2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.102 -6.118 -0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.531 -7.807 -1.498 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.351 -6.965 -3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.869 -8.824 -3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.699 -7.368 -3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.873 -8.183 -2.013 1.00 0.00 H new ATOM 871 N VAL A 63 10.085 -2.826 -0.075 1.00 0.00 N ATOM 872 CA VAL A 63 8.702 -2.589 -0.468 1.00 0.00 C ATOM 873 C VAL A 63 8.261 -3.571 -1.548 1.00 0.00 C ATOM 874 O VAL A 63 8.970 -3.819 -2.523 1.00 0.00 O ATOM 875 CB VAL A 63 8.504 -1.152 -0.985 1.00 0.00 C ATOM 876 CG1 VAL A 63 7.051 -0.919 -1.373 1.00 0.00 C ATOM 877 CG2 VAL A 63 8.953 -0.143 0.061 1.00 0.00 C ATOM 0 H VAL A 63 10.761 -2.198 -0.511 1.00 0.00 H new ATOM 0 HA VAL A 63 8.091 -2.735 0.423 1.00 0.00 H new ATOM 0 HB VAL A 63 9.119 -1.017 -1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.931 0.102 -1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.767 -1.619 -2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.413 -1.072 -0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.806 0.867 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.367 -0.276 0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.009 -0.296 0.285 1.00 0.00 H new ATOM 887 N PRO A 64 7.061 -4.144 -1.372 1.00 0.00 N ATOM 888 CA PRO A 64 6.498 -5.108 -2.322 1.00 0.00 C ATOM 889 C PRO A 64 6.103 -4.457 -3.643 1.00 0.00 C ATOM 890 O PRO A 64 6.169 -3.236 -3.788 1.00 0.00 O ATOM 891 CB PRO A 64 5.259 -5.639 -1.596 1.00 0.00 C ATOM 892 CG PRO A 64 4.876 -4.549 -0.655 1.00 0.00 C ATOM 893 CD PRO A 64 6.162 -3.895 -0.233 1.00 0.00 C ATOM 0 HA PRO A 64 7.216 -5.883 -2.591 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.453 -5.859 -2.297 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.479 -6.564 -1.063 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.213 -3.831 -1.138 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.340 -4.948 0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.030 -2.828 -0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.550 -4.330 0.688 1.00 0.00 H new ATOM 901 N GLU A 65 5.692 -5.279 -4.604 1.00 0.00 N ATOM 902 CA GLU A 65 5.286 -4.781 -5.913 1.00 0.00 C ATOM 903 C GLU A 65 4.261 -5.711 -6.555 1.00 0.00 C ATOM 904 O GLU A 65 4.140 -5.767 -7.778 1.00 0.00 O ATOM 905 CB GLU A 65 6.504 -4.638 -6.828 1.00 0.00 C ATOM 906 CG GLU A 65 7.558 -3.682 -6.294 1.00 0.00 C ATOM 907 CD GLU A 65 8.674 -3.429 -7.288 1.00 0.00 C ATOM 908 OE1 GLU A 65 8.395 -3.431 -8.506 1.00 0.00 O ATOM 909 OE2 GLU A 65 9.826 -3.230 -6.850 1.00 0.00 O ATOM 0 H GLU A 65 5.632 -6.292 -4.501 1.00 0.00 H new ATOM 0 HA GLU A 65 4.827 -3.802 -5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.956 -5.619 -6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.174 -4.291 -7.807 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.086 -2.734 -6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.980 -4.089 -5.375 1.00 0.00 H new ATOM 916 N GLU A 66 3.525 -6.438 -5.720 1.00 0.00 N ATOM 917 CA GLU A 66 2.511 -7.366 -6.206 1.00 0.00 C ATOM 918 C GLU A 66 1.203 -6.638 -6.499 1.00 0.00 C ATOM 919 O GLU A 66 1.152 -5.408 -6.500 1.00 0.00 O ATOM 920 CB GLU A 66 2.271 -8.477 -5.181 1.00 0.00 C ATOM 921 CG GLU A 66 3.548 -9.141 -4.694 1.00 0.00 C ATOM 922 CD GLU A 66 3.292 -10.173 -3.613 1.00 0.00 C ATOM 923 OE1 GLU A 66 2.411 -9.935 -2.761 1.00 0.00 O ATOM 924 OE2 GLU A 66 3.973 -11.220 -3.620 1.00 0.00 O ATOM 0 H GLU A 66 3.612 -6.402 -4.704 1.00 0.00 H new ATOM 0 HA GLU A 66 2.875 -7.809 -7.133 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.738 -8.062 -4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.623 -9.234 -5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.049 -9.619 -5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.226 -8.379 -4.310 1.00 0.00 H new ATOM 931 N GLU A 67 0.147 -7.406 -6.748 1.00 0.00 N ATOM 932 CA GLU A 67 -1.161 -6.834 -7.044 1.00 0.00 C ATOM 933 C GLU A 67 -1.566 -5.822 -5.976 1.00 0.00 C ATOM 934 O GLU A 67 -1.824 -4.656 -6.277 1.00 0.00 O ATOM 935 CB GLU A 67 -2.215 -7.939 -7.141 1.00 0.00 C ATOM 936 CG GLU A 67 -2.003 -8.882 -8.314 1.00 0.00 C ATOM 937 CD GLU A 67 -2.055 -8.170 -9.652 1.00 0.00 C ATOM 938 OE1 GLU A 67 -3.161 -8.062 -10.223 1.00 0.00 O ATOM 939 OE2 GLU A 67 -0.992 -7.721 -10.127 1.00 0.00 O ATOM 0 H GLU A 67 0.172 -8.426 -6.751 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.096 -6.319 -8.002 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.210 -8.516 -6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.201 -7.482 -7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.038 -9.377 -8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.765 -9.661 -8.291 1.00 0.00 H new ATOM 946 N TYR A 68 -1.621 -6.276 -4.729 1.00 0.00 N ATOM 947 CA TYR A 68 -1.997 -5.412 -3.617 1.00 0.00 C ATOM 948 C TYR A 68 -1.274 -5.824 -2.338 1.00 0.00 C ATOM 949 O TYR A 68 -0.609 -6.859 -2.294 1.00 0.00 O ATOM 950 CB TYR A 68 -3.510 -5.458 -3.398 1.00 0.00 C ATOM 951 CG TYR A 68 -4.248 -4.297 -4.026 1.00 0.00 C ATOM 952 CD1 TYR A 68 -4.221 -3.035 -3.444 1.00 0.00 C ATOM 953 CD2 TYR A 68 -4.974 -4.463 -5.199 1.00 0.00 C ATOM 954 CE1 TYR A 68 -4.894 -1.972 -4.014 1.00 0.00 C ATOM 955 CE2 TYR A 68 -5.649 -3.405 -5.776 1.00 0.00 C ATOM 956 CZ TYR A 68 -5.607 -2.161 -5.180 1.00 0.00 C ATOM 957 OH TYR A 68 -6.279 -1.105 -5.751 1.00 0.00 O ATOM 0 H TYR A 68 -1.410 -7.238 -4.463 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.703 -4.392 -3.866 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.900 -6.390 -3.808 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.714 -5.471 -2.327 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.665 -2.883 -2.531 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.011 -5.435 -5.667 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.862 -0.998 -3.549 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.207 -3.551 -6.689 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.729 -1.407 -6.567 1.00 0.00 H new ATOM 967 N TRP A 69 -1.411 -5.007 -1.300 1.00 0.00 N ATOM 968 CA TRP A 69 -0.771 -5.286 -0.019 1.00 0.00 C ATOM 969 C TRP A 69 -1.772 -5.170 1.125 1.00 0.00 C ATOM 970 O TRP A 69 -2.403 -4.129 1.308 1.00 0.00 O ATOM 971 CB TRP A 69 0.398 -4.326 0.210 1.00 0.00 C ATOM 972 CG TRP A 69 1.127 -4.575 1.496 1.00 0.00 C ATOM 973 CD1 TRP A 69 2.237 -5.351 1.671 1.00 0.00 C ATOM 974 CD2 TRP A 69 0.796 -4.047 2.785 1.00 0.00 C ATOM 975 NE1 TRP A 69 2.616 -5.337 2.992 1.00 0.00 N ATOM 976 CE2 TRP A 69 1.749 -4.544 3.696 1.00 0.00 C ATOM 977 CE3 TRP A 69 -0.211 -3.201 3.258 1.00 0.00 C ATOM 978 CZ2 TRP A 69 1.721 -4.223 5.050 1.00 0.00 C ATOM 979 CZ3 TRP A 69 -0.237 -2.884 4.602 1.00 0.00 C ATOM 980 CH2 TRP A 69 0.724 -3.393 5.486 1.00 0.00 C ATOM 0 H TRP A 69 -1.959 -4.147 -1.320 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.393 -6.308 -0.044 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.099 -4.414 -0.620 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.025 -3.302 0.205 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.742 -5.895 0.887 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.414 -5.836 3.385 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.955 -2.802 2.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.460 -4.615 5.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -1.012 -2.232 4.978 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.677 -3.125 6.531 1.00 0.00 H new ATOM 991 N TYR A 70 -1.913 -6.245 1.893 1.00 0.00 N ATOM 992 CA TYR A 70 -2.839 -6.264 3.019 1.00 0.00 C ATOM 993 C TYR A 70 -2.091 -6.448 4.336 1.00 0.00 C ATOM 994 O TYR A 70 -1.319 -7.393 4.499 1.00 0.00 O ATOM 995 CB TYR A 70 -3.866 -7.383 2.843 1.00 0.00 C ATOM 996 CG TYR A 70 -4.882 -7.106 1.757 1.00 0.00 C ATOM 997 CD1 TYR A 70 -4.589 -7.360 0.423 1.00 0.00 C ATOM 998 CD2 TYR A 70 -6.135 -6.591 2.066 1.00 0.00 C ATOM 999 CE1 TYR A 70 -5.514 -7.109 -0.572 1.00 0.00 C ATOM 1000 CE2 TYR A 70 -7.067 -6.338 1.078 1.00 0.00 C ATOM 1001 CZ TYR A 70 -6.751 -6.597 -0.239 1.00 0.00 C ATOM 1002 OH TYR A 70 -7.676 -6.346 -1.227 1.00 0.00 O ATOM 0 H TYR A 70 -1.398 -7.115 1.756 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.357 -5.305 3.047 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.344 -8.311 2.612 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.388 -7.537 3.787 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.621 -7.761 0.159 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.385 -6.385 3.096 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.270 -7.312 -1.604 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.037 -5.940 1.336 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.495 -5.989 -0.825 1.00 0.00 H new ATOM 1012 N CYS A 71 -2.327 -5.537 5.275 1.00 0.00 N ATOM 1013 CA CYS A 71 -1.678 -5.597 6.579 1.00 0.00 C ATOM 1014 C CYS A 71 -1.849 -6.975 7.210 1.00 0.00 C ATOM 1015 O CYS A 71 -2.789 -7.711 6.907 1.00 0.00 O ATOM 1016 CB CYS A 71 -2.252 -4.524 7.507 1.00 0.00 C ATOM 1017 SG CYS A 71 -3.902 -4.920 8.170 1.00 0.00 S ATOM 0 H CYS A 71 -2.963 -4.748 5.157 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.613 -5.413 6.436 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.564 -4.373 8.339 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.307 -3.581 6.964 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.656 -3.862 8.119 1.00 0.00 H new ATOM 1022 N PRO A 72 -0.920 -7.335 8.108 1.00 0.00 N ATOM 1023 CA PRO A 72 -0.947 -8.627 8.801 1.00 0.00 C ATOM 1024 C PRO A 72 -2.093 -8.724 9.801 1.00 0.00 C ATOM 1025 O PRO A 72 -2.369 -9.796 10.340 1.00 0.00 O ATOM 1026 CB PRO A 72 0.401 -8.668 9.525 1.00 0.00 C ATOM 1027 CG PRO A 72 0.775 -7.238 9.711 1.00 0.00 C ATOM 1028 CD PRO A 72 0.227 -6.508 8.517 1.00 0.00 C ATOM 0 HA PRO A 72 -1.101 -9.457 8.112 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.321 -9.184 10.482 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.150 -9.200 8.938 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.356 -6.842 10.636 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.857 -7.123 9.776 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.080 -5.494 8.772 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.967 -6.426 7.721 1.00 0.00 H new ATOM 1036 N SER A 73 -2.757 -7.599 10.045 1.00 0.00 N ATOM 1037 CA SER A 73 -3.872 -7.557 10.985 1.00 0.00 C ATOM 1038 C SER A 73 -5.182 -7.911 10.288 1.00 0.00 C ATOM 1039 O SER A 73 -6.180 -8.222 10.939 1.00 0.00 O ATOM 1040 CB SER A 73 -3.978 -6.171 11.622 1.00 0.00 C ATOM 1041 OG SER A 73 -4.737 -6.216 12.818 1.00 0.00 O ATOM 0 H SER A 73 -2.543 -6.704 9.605 1.00 0.00 H new ATOM 0 HA SER A 73 -3.685 -8.294 11.766 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.980 -5.788 11.835 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.442 -5.479 10.919 1.00 0.00 H new ATOM 0 HG SER A 73 -5.556 -6.733 12.667 1.00 0.00 H new ATOM 1047 N CYS A 74 -5.172 -7.861 8.960 1.00 0.00 N ATOM 1048 CA CYS A 74 -6.358 -8.175 8.173 1.00 0.00 C ATOM 1049 C CYS A 74 -6.241 -9.560 7.543 1.00 0.00 C ATOM 1050 O CYS A 74 -7.146 -10.386 7.660 1.00 0.00 O ATOM 1051 CB CYS A 74 -6.566 -7.122 7.083 1.00 0.00 C ATOM 1052 SG CYS A 74 -7.434 -5.625 7.651 1.00 0.00 S ATOM 0 H CYS A 74 -4.354 -7.606 8.406 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.219 -8.171 8.841 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.595 -6.835 6.680 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.131 -7.568 6.265 1.00 0.00 H new ATOM 0 HG CYS A 74 -6.576 -4.663 7.818 1.00 0.00 H new ATOM 1057 N LYS A 75 -5.121 -9.806 6.873 1.00 0.00 N ATOM 1058 CA LYS A 75 -4.883 -11.090 6.224 1.00 0.00 C ATOM 1059 C LYS A 75 -5.111 -12.242 7.198 1.00 0.00 C ATOM 1060 O LYS A 75 -4.324 -12.454 8.121 1.00 0.00 O ATOM 1061 CB LYS A 75 -3.457 -11.150 5.673 1.00 0.00 C ATOM 1062 CG LYS A 75 -3.054 -12.528 5.176 1.00 0.00 C ATOM 1063 CD LYS A 75 -1.806 -12.466 4.312 1.00 0.00 C ATOM 1064 CE LYS A 75 -2.147 -12.560 2.832 1.00 0.00 C ATOM 1065 NZ LYS A 75 -1.031 -12.075 1.974 1.00 0.00 N ATOM 0 H LYS A 75 -4.363 -9.132 6.765 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.589 -11.188 5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.362 -10.436 4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.762 -10.836 6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.876 -13.185 6.027 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.873 -12.963 4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.274 -11.534 4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.133 -13.279 4.584 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.378 -13.594 2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.043 -11.974 2.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.302 -12.155 0.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.827 -11.080 2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.183 -12.650 2.150 1.00 0.00 H new