USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 623 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 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.45! USER MOD Single : A 30 CYS SG : rot 175:sc= -1.62! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.17) USER MOD Single : A 40 TYR OH : rot 180:sc= -2.85 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.29! C(o=-1.3!,f=-1.3!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.559 K(o=0.56,f=-2.2) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -111:sc= -0.94 (180deg=-4.27!) USER MOD Single : A 71 HIS : no HE2:sc= -9.63! C(o=-9.6!,f=-11!) USER MOD Single : A 73 ASN : amide:sc= -1.45 K(o=-1.5,f=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 167:sc= -0.724 (180deg=-1.34) USER MOD Single : A 79 MET CE :methyl 177:sc= 0 (180deg=-0.0157) USER MOD Single : A 80 HIS : no HE2:sc= -14.5! C(o=-15!,f=-17!) USER MOD Single : A 83 ASN : amide:sc= -0.222 K(o=-0.22,f=-2.2!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0273 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -1.03 X(o=-1,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 169 N ALA A 15 6.216 7.664 13.693 1.00 0.00 N ATOM 170 CA ALA A 15 5.065 6.845 13.355 1.00 0.00 C ATOM 171 C ALA A 15 4.856 6.867 11.839 1.00 0.00 C ATOM 172 O ALA A 15 4.691 7.932 11.247 1.00 0.00 O ATOM 173 CB ALA A 15 3.838 7.347 14.119 1.00 0.00 C ATOM 0 HA ALA A 15 5.232 5.809 13.650 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.975 6.732 13.865 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.026 7.284 15.191 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.638 8.383 13.846 1.00 0.00 H new ATOM 179 N LEU A 16 4.870 5.678 11.255 1.00 0.00 N ATOM 180 CA LEU A 16 4.684 5.547 9.819 1.00 0.00 C ATOM 181 C LEU A 16 3.215 5.235 9.526 1.00 0.00 C ATOM 182 O LEU A 16 2.500 4.727 10.388 1.00 0.00 O ATOM 183 CB LEU A 16 5.659 4.517 9.245 1.00 0.00 C ATOM 184 CG LEU A 16 7.132 4.712 9.608 1.00 0.00 C ATOM 185 CD1 LEU A 16 7.974 3.523 9.141 1.00 0.00 C ATOM 186 CD2 LEU A 16 7.661 6.039 9.060 1.00 0.00 C ATOM 0 H LEU A 16 5.007 4.797 11.750 1.00 0.00 H new ATOM 0 HA LEU A 16 4.917 6.486 9.317 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.350 3.527 9.582 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.569 4.527 8.159 1.00 0.00 H new ATOM 0 HG LEU A 16 7.213 4.757 10.694 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.017 3.687 9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.614 2.612 9.619 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.892 3.421 8.059 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.710 6.153 9.332 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.565 6.049 7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.085 6.863 9.483 1.00 0.00 H new ATOM 198 N PRO A 17 2.798 5.560 8.273 1.00 0.00 N ATOM 199 CA PRO A 17 1.427 5.320 7.855 1.00 0.00 C ATOM 200 C PRO A 17 1.189 3.833 7.586 1.00 0.00 C ATOM 201 O PRO A 17 2.139 3.064 7.442 1.00 0.00 O ATOM 202 CB PRO A 17 1.235 6.185 6.620 1.00 0.00 C ATOM 203 CG PRO A 17 2.632 6.518 6.123 1.00 0.00 C ATOM 204 CD PRO A 17 3.616 6.163 7.225 1.00 0.00 C ATOM 0 HA PRO A 17 0.701 5.581 8.625 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.665 5.655 5.857 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.680 7.092 6.861 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.858 5.958 5.215 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.706 7.576 5.872 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.377 5.469 6.868 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.138 7.048 7.590 1.00 0.00 H new ATOM 212 N VAL A 18 -0.084 3.471 7.525 1.00 0.00 N ATOM 213 CA VAL A 18 -0.459 2.090 7.276 1.00 0.00 C ATOM 214 C VAL A 18 -1.004 1.963 5.851 1.00 0.00 C ATOM 215 O VAL A 18 -2.048 2.528 5.529 1.00 0.00 O ATOM 216 CB VAL A 18 -1.452 1.617 8.340 1.00 0.00 C ATOM 217 CG1 VAL A 18 -1.973 0.215 8.018 1.00 0.00 C ATOM 218 CG2 VAL A 18 -0.825 1.663 9.734 1.00 0.00 C ATOM 0 H VAL A 18 -0.869 4.111 7.644 1.00 0.00 H new ATOM 0 HA VAL A 18 0.412 1.439 7.351 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.302 2.300 8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.677 -0.098 8.789 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.476 0.227 7.051 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.138 -0.485 7.984 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.552 1.322 10.471 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.051 1.014 9.761 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.526 2.686 9.965 1.00 0.00 H new ATOM 228 N LEU A 19 -0.271 1.218 5.037 1.00 0.00 N ATOM 229 CA LEU A 19 -0.668 1.010 3.654 1.00 0.00 C ATOM 230 C LEU A 19 -1.281 -0.384 3.508 1.00 0.00 C ATOM 231 O LEU A 19 -0.591 -1.390 3.670 1.00 0.00 O ATOM 232 CB LEU A 19 0.513 1.264 2.714 1.00 0.00 C ATOM 233 CG LEU A 19 0.252 1.016 1.227 1.00 0.00 C ATOM 234 CD1 LEU A 19 -0.309 2.269 0.553 1.00 0.00 C ATOM 235 CD2 LEU A 19 1.512 0.503 0.528 1.00 0.00 C ATOM 0 H LEU A 19 0.595 0.751 5.308 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.436 1.728 3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.835 2.298 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.344 0.631 3.027 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.505 0.237 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.486 2.066 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.248 2.550 1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.406 3.086 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.299 0.335 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.308 1.241 0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.828 -0.433 0.988 1.00 0.00 H new ATOM 247 N THR A 20 -2.570 -0.400 3.204 1.00 0.00 N ATOM 248 CA THR A 20 -3.284 -1.654 3.034 1.00 0.00 C ATOM 249 C THR A 20 -2.967 -2.268 1.669 1.00 0.00 C ATOM 250 O THR A 20 -3.126 -1.614 0.639 1.00 0.00 O ATOM 251 CB THR A 20 -4.774 -1.383 3.248 1.00 0.00 C ATOM 252 OG1 THR A 20 -4.803 -0.381 4.261 1.00 0.00 O ATOM 253 CG2 THR A 20 -5.502 -2.572 3.878 1.00 0.00 C ATOM 0 H THR A 20 -3.139 0.436 3.071 1.00 0.00 H new ATOM 0 HA THR A 20 -2.965 -2.393 3.769 1.00 0.00 H new ATOM 0 HB THR A 20 -5.239 -1.139 2.293 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.733 -0.144 4.460 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.556 -2.326 4.008 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.410 -3.441 3.227 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.060 -2.797 4.849 1.00 0.00 H new ATOM 261 N LEU A 21 -2.525 -3.516 1.705 1.00 0.00 N ATOM 262 CA LEU A 21 -2.185 -4.225 0.483 1.00 0.00 C ATOM 263 C LEU A 21 -3.092 -5.449 0.339 1.00 0.00 C ATOM 264 O LEU A 21 -3.087 -6.334 1.194 1.00 0.00 O ATOM 265 CB LEU A 21 -0.692 -4.559 0.455 1.00 0.00 C ATOM 266 CG LEU A 21 -0.285 -5.739 -0.430 1.00 0.00 C ATOM 267 CD1 LEU A 21 -0.915 -5.625 -1.819 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.238 -5.872 -0.500 1.00 0.00 C ATOM 0 H LEU A 21 -2.394 -4.055 2.561 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.363 -3.592 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.149 -3.675 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.367 -4.766 1.475 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.667 -6.654 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.610 -6.476 -2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.001 -5.616 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.584 -4.702 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.501 -6.718 -1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.664 -4.959 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.636 -6.033 0.502 1.00 0.00 H new ATOM 280 N PHE A 22 -3.848 -5.461 -0.748 1.00 0.00 N ATOM 281 CA PHE A 22 -4.758 -6.562 -1.015 1.00 0.00 C ATOM 282 C PHE A 22 -4.260 -7.414 -2.184 1.00 0.00 C ATOM 283 O PHE A 22 -4.434 -7.045 -3.344 1.00 0.00 O ATOM 284 CB PHE A 22 -6.109 -5.946 -1.387 1.00 0.00 C ATOM 285 CG PHE A 22 -6.833 -5.280 -0.216 1.00 0.00 C ATOM 286 CD1 PHE A 22 -7.409 -6.044 0.751 1.00 0.00 C ATOM 287 CD2 PHE A 22 -6.901 -3.924 -0.141 1.00 0.00 C ATOM 288 CE1 PHE A 22 -8.081 -5.426 1.838 1.00 0.00 C ATOM 289 CE2 PHE A 22 -7.573 -3.305 0.946 1.00 0.00 C ATOM 290 CZ PHE A 22 -8.149 -4.069 1.913 1.00 0.00 C ATOM 0 H PHE A 22 -3.849 -4.726 -1.455 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.832 -7.205 -0.138 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.955 -5.207 -2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.750 -6.724 -1.802 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.355 -7.121 0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.444 -3.317 -0.909 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.538 -6.033 2.605 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.627 -2.228 1.005 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.660 -3.599 2.740 1.00 0.00 H new ATOM 300 N THR A 23 -3.651 -8.538 -1.837 1.00 0.00 N ATOM 301 CA THR A 23 -3.126 -9.446 -2.843 1.00 0.00 C ATOM 302 C THR A 23 -3.921 -10.754 -2.848 1.00 0.00 C ATOM 303 O THR A 23 -4.778 -10.966 -1.992 1.00 0.00 O ATOM 304 CB THR A 23 -1.634 -9.643 -2.570 1.00 0.00 C ATOM 305 OG1 THR A 23 -1.306 -10.837 -3.275 1.00 0.00 O ATOM 306 CG2 THR A 23 -1.346 -9.983 -1.106 1.00 0.00 C ATOM 0 H THR A 23 -3.509 -8.841 -0.873 1.00 0.00 H new ATOM 0 HA THR A 23 -3.236 -9.032 -3.845 1.00 0.00 H new ATOM 0 HB THR A 23 -1.093 -8.738 -2.845 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.355 -11.038 -3.153 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.273 -10.112 -0.967 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.699 -9.173 -0.468 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.860 -10.906 -0.839 1.00 0.00 H new ATOM 314 N LYS A 24 -3.606 -11.596 -3.821 1.00 0.00 N ATOM 315 CA LYS A 24 -4.280 -12.877 -3.948 1.00 0.00 C ATOM 316 C LYS A 24 -3.453 -13.796 -4.850 1.00 0.00 C ATOM 317 O LYS A 24 -2.368 -13.424 -5.293 1.00 0.00 O ATOM 318 CB LYS A 24 -5.720 -12.680 -4.426 1.00 0.00 C ATOM 319 CG LYS A 24 -5.758 -12.276 -5.901 1.00 0.00 C ATOM 320 CD LYS A 24 -6.934 -12.938 -6.621 1.00 0.00 C ATOM 321 CE LYS A 24 -6.514 -13.450 -8.001 1.00 0.00 C ATOM 322 NZ LYS A 24 -7.257 -12.740 -9.065 1.00 0.00 N ATOM 0 H LYS A 24 -2.893 -11.416 -4.528 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.355 -13.366 -2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.284 -13.602 -4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.205 -11.913 -3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.841 -11.192 -5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.824 -12.562 -6.384 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.313 -13.766 -6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.749 -12.223 -6.727 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.443 -13.305 -8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.702 -14.521 -8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.960 -13.099 -9.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.277 -12.900 -8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.057 -11.721 -9.008 1.00 0.00 H new ATOM 385 N LEU A 29 0.776 -9.858 -10.571 1.00 0.00 N ATOM 386 CA LEU A 29 0.778 -8.428 -10.316 1.00 0.00 C ATOM 387 C LEU A 29 1.002 -8.181 -8.822 1.00 0.00 C ATOM 388 O LEU A 29 2.002 -7.579 -8.432 1.00 0.00 O ATOM 389 CB LEU A 29 -0.499 -7.785 -10.860 1.00 0.00 C ATOM 390 CG LEU A 29 -0.947 -8.252 -12.246 1.00 0.00 C ATOM 391 CD1 LEU A 29 -2.046 -7.345 -12.802 1.00 0.00 C ATOM 392 CD2 LEU A 29 0.244 -8.360 -13.200 1.00 0.00 C ATOM 0 HA LEU A 29 1.600 -7.948 -10.846 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.308 -7.977 -10.155 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.353 -6.705 -10.892 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.373 -9.251 -12.148 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.346 -7.699 -13.788 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.906 -7.363 -12.133 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.670 -6.325 -12.882 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.102 -8.694 -14.178 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.722 -7.385 -13.298 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.963 -9.078 -12.805 1.00 0.00 H new ATOM 404 N CYS A 30 0.056 -8.659 -8.028 1.00 0.00 N ATOM 405 CA CYS A 30 0.138 -8.498 -6.586 1.00 0.00 C ATOM 406 C CYS A 30 1.578 -8.779 -6.152 1.00 0.00 C ATOM 407 O CYS A 30 2.245 -7.906 -5.599 1.00 0.00 O ATOM 408 CB CYS A 30 -0.863 -9.398 -5.858 1.00 0.00 C ATOM 409 SG CYS A 30 -2.572 -8.935 -6.321 1.00 0.00 S ATOM 0 H CYS A 30 -0.771 -9.158 -8.355 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.129 -7.476 -6.316 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.678 -10.442 -6.113 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.731 -9.305 -4.780 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.409 -9.772 -5.784 1.00 0.00 H new ATOM 415 N ASP A 31 2.015 -10.001 -6.419 1.00 0.00 N ATOM 416 CA ASP A 31 3.364 -10.407 -6.064 1.00 0.00 C ATOM 417 C ASP A 31 4.346 -9.301 -6.455 1.00 0.00 C ATOM 418 O ASP A 31 5.117 -8.828 -5.622 1.00 0.00 O ATOM 419 CB ASP A 31 3.769 -11.683 -6.806 1.00 0.00 C ATOM 420 CG ASP A 31 5.052 -12.345 -6.301 1.00 0.00 C ATOM 421 OD1 ASP A 31 4.971 -13.010 -5.246 1.00 0.00 O ATOM 422 OD2 ASP A 31 6.086 -12.171 -6.982 1.00 0.00 O ATOM 0 H ASP A 31 1.459 -10.723 -6.877 1.00 0.00 H new ATOM 0 HA ASP A 31 3.388 -10.591 -4.990 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.954 -12.402 -6.732 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.891 -11.447 -7.863 1.00 0.00 H new ATOM 427 N GLU A 32 4.284 -8.921 -7.723 1.00 0.00 N ATOM 428 CA GLU A 32 5.158 -7.879 -8.234 1.00 0.00 C ATOM 429 C GLU A 32 4.980 -6.592 -7.426 1.00 0.00 C ATOM 430 O GLU A 32 5.950 -6.040 -6.909 1.00 0.00 O ATOM 431 CB GLU A 32 4.903 -7.631 -9.722 1.00 0.00 C ATOM 432 CG GLU A 32 6.217 -7.407 -10.474 1.00 0.00 C ATOM 433 CD GLU A 32 6.484 -8.545 -11.462 1.00 0.00 C ATOM 434 OE1 GLU A 32 6.383 -9.712 -11.025 1.00 0.00 O ATOM 435 OE2 GLU A 32 6.783 -8.222 -12.632 1.00 0.00 O ATOM 0 H GLU A 32 3.643 -9.316 -8.411 1.00 0.00 H new ATOM 0 HA GLU A 32 6.190 -8.213 -8.126 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.375 -8.483 -10.151 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.257 -6.761 -9.844 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.177 -6.458 -11.009 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.040 -7.337 -9.763 1.00 0.00 H new ATOM 442 N ALA A 33 3.733 -6.151 -7.342 1.00 0.00 N ATOM 443 CA ALA A 33 3.416 -4.940 -6.606 1.00 0.00 C ATOM 444 C ALA A 33 4.309 -4.852 -5.367 1.00 0.00 C ATOM 445 O ALA A 33 5.036 -3.875 -5.189 1.00 0.00 O ATOM 446 CB ALA A 33 1.927 -4.933 -6.252 1.00 0.00 C ATOM 0 H ALA A 33 2.931 -6.611 -7.772 1.00 0.00 H new ATOM 0 HA ALA A 33 3.611 -4.058 -7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.689 -4.024 -5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.335 -4.967 -7.167 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.695 -5.803 -5.637 1.00 0.00 H new ATOM 452 N LYS A 34 4.227 -5.886 -4.542 1.00 0.00 N ATOM 453 CA LYS A 34 5.019 -5.938 -3.326 1.00 0.00 C ATOM 454 C LYS A 34 6.466 -5.558 -3.648 1.00 0.00 C ATOM 455 O LYS A 34 7.048 -4.700 -2.986 1.00 0.00 O ATOM 456 CB LYS A 34 4.878 -7.304 -2.652 1.00 0.00 C ATOM 457 CG LYS A 34 3.450 -7.521 -2.146 1.00 0.00 C ATOM 458 CD LYS A 34 3.019 -8.978 -2.328 1.00 0.00 C ATOM 459 CE LYS A 34 3.142 -9.753 -1.015 1.00 0.00 C ATOM 460 NZ LYS A 34 3.198 -11.209 -1.276 1.00 0.00 N ATOM 0 H LYS A 34 3.624 -6.694 -4.693 1.00 0.00 H new ATOM 0 HA LYS A 34 4.651 -5.211 -2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.141 -8.091 -3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.578 -7.377 -1.819 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.388 -7.249 -1.092 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.766 -6.866 -2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.988 -9.015 -2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.635 -9.451 -3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.040 -9.438 -0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.293 -9.525 -0.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.281 -11.720 -0.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.330 -11.508 -1.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.022 -11.423 -1.873 1.00 0.00 H new ATOM 474 N GLU A 35 7.004 -6.215 -4.664 1.00 0.00 N ATOM 475 CA GLU A 35 8.372 -5.957 -5.082 1.00 0.00 C ATOM 476 C GLU A 35 8.569 -4.465 -5.361 1.00 0.00 C ATOM 477 O GLU A 35 9.682 -3.952 -5.257 1.00 0.00 O ATOM 478 CB GLU A 35 8.739 -6.797 -6.307 1.00 0.00 C ATOM 479 CG GLU A 35 8.273 -8.244 -6.138 1.00 0.00 C ATOM 480 CD GLU A 35 9.098 -9.191 -7.012 1.00 0.00 C ATOM 481 OE1 GLU A 35 8.989 -9.061 -8.250 1.00 0.00 O ATOM 482 OE2 GLU A 35 9.819 -10.025 -6.422 1.00 0.00 O ATOM 0 H GLU A 35 6.518 -6.926 -5.211 1.00 0.00 H new ATOM 0 HA GLU A 35 9.040 -6.247 -4.271 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.283 -6.366 -7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.818 -6.774 -6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.361 -8.539 -5.092 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.219 -8.324 -6.404 1.00 0.00 H new ATOM 489 N VAL A 36 7.471 -3.811 -5.711 1.00 0.00 N ATOM 490 CA VAL A 36 7.509 -2.389 -6.006 1.00 0.00 C ATOM 491 C VAL A 36 7.438 -1.599 -4.697 1.00 0.00 C ATOM 492 O VAL A 36 7.771 -0.415 -4.664 1.00 0.00 O ATOM 493 CB VAL A 36 6.390 -2.027 -6.984 1.00 0.00 C ATOM 494 CG1 VAL A 36 6.576 -0.611 -7.532 1.00 0.00 C ATOM 495 CG2 VAL A 36 6.304 -3.048 -8.121 1.00 0.00 C ATOM 0 H VAL A 36 6.550 -4.240 -5.797 1.00 0.00 H new ATOM 0 HA VAL A 36 8.447 -2.125 -6.495 1.00 0.00 H new ATOM 0 HB VAL A 36 5.447 -2.053 -6.438 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.767 -0.380 -8.225 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.564 0.103 -6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.530 -0.545 -8.054 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.501 -2.767 -8.802 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.249 -3.069 -8.664 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.101 -4.036 -7.708 1.00 0.00 H new ATOM 505 N LEU A 37 7.002 -2.286 -3.652 1.00 0.00 N ATOM 506 CA LEU A 37 6.883 -1.663 -2.344 1.00 0.00 C ATOM 507 C LEU A 37 8.061 -2.094 -1.469 1.00 0.00 C ATOM 508 O LEU A 37 8.161 -1.689 -0.312 1.00 0.00 O ATOM 509 CB LEU A 37 5.516 -1.968 -1.728 1.00 0.00 C ATOM 510 CG LEU A 37 4.304 -1.400 -2.470 1.00 0.00 C ATOM 511 CD1 LEU A 37 3.061 -1.410 -1.578 1.00 0.00 C ATOM 512 CD2 LEU A 37 4.603 -0.004 -3.021 1.00 0.00 C ATOM 0 H LEU A 37 6.727 -3.268 -3.684 1.00 0.00 H new ATOM 0 HA LEU A 37 6.932 -0.578 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.402 -3.050 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.505 -1.584 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 37 4.093 -2.045 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.214 -1.001 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.838 -2.433 -1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.244 -0.802 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.725 0.377 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.854 0.666 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.443 -0.058 -3.714 1.00 0.00 H new ATOM 524 N GLN A 38 8.924 -2.911 -2.056 1.00 0.00 N ATOM 525 CA GLN A 38 10.092 -3.402 -1.344 1.00 0.00 C ATOM 526 C GLN A 38 10.847 -2.239 -0.696 1.00 0.00 C ATOM 527 O GLN A 38 11.130 -2.268 0.500 1.00 0.00 O ATOM 528 CB GLN A 38 11.008 -4.198 -2.276 1.00 0.00 C ATOM 529 CG GLN A 38 11.177 -5.636 -1.782 1.00 0.00 C ATOM 530 CD GLN A 38 12.600 -5.878 -1.275 1.00 0.00 C ATOM 531 OE1 GLN A 38 13.170 -6.945 -1.432 1.00 0.00 O ATOM 532 NE2 GLN A 38 13.140 -4.830 -0.659 1.00 0.00 N ATOM 0 H GLN A 38 8.838 -3.245 -3.016 1.00 0.00 H new ATOM 0 HA GLN A 38 9.756 -4.076 -0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.592 -4.202 -3.284 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.982 -3.713 -2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.463 -5.836 -0.983 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.952 -6.331 -2.591 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.607 -3.966 -0.562 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.087 -4.891 -0.284 1.00 0.00 H new ATOM 541 N PRO A 39 11.158 -1.216 -1.537 1.00 0.00 N ATOM 542 CA PRO A 39 11.874 -0.045 -1.059 1.00 0.00 C ATOM 543 C PRO A 39 10.955 0.862 -0.239 1.00 0.00 C ATOM 544 O PRO A 39 11.380 1.912 0.241 1.00 0.00 O ATOM 545 CB PRO A 39 12.409 0.628 -2.312 1.00 0.00 C ATOM 546 CG PRO A 39 11.588 0.074 -3.465 1.00 0.00 C ATOM 547 CD PRO A 39 10.838 -1.147 -2.960 1.00 0.00 C ATOM 0 HA PRO A 39 12.689 -0.298 -0.381 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.309 1.711 -2.246 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.469 0.413 -2.449 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.889 0.826 -3.832 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.235 -0.194 -4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.765 -1.047 -3.120 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.155 -2.050 -3.481 1.00 0.00 H new ATOM 555 N TYR A 40 9.711 0.425 -0.104 1.00 0.00 N ATOM 556 CA TYR A 40 8.728 1.185 0.649 1.00 0.00 C ATOM 557 C TYR A 40 8.202 0.376 1.836 1.00 0.00 C ATOM 558 O TYR A 40 7.188 0.733 2.435 1.00 0.00 O ATOM 559 CB TYR A 40 7.575 1.459 -0.318 1.00 0.00 C ATOM 560 CG TYR A 40 7.962 2.324 -1.519 1.00 0.00 C ATOM 561 CD1 TYR A 40 7.877 3.699 -1.435 1.00 0.00 C ATOM 562 CD2 TYR A 40 8.396 1.729 -2.686 1.00 0.00 C ATOM 563 CE1 TYR A 40 8.241 4.513 -2.565 1.00 0.00 C ATOM 564 CE2 TYR A 40 8.760 2.544 -3.817 1.00 0.00 C ATOM 565 CZ TYR A 40 8.665 3.895 -3.700 1.00 0.00 C ATOM 566 OH TYR A 40 9.009 4.664 -4.768 1.00 0.00 O ATOM 0 H TYR A 40 9.362 -0.446 -0.504 1.00 0.00 H new ATOM 0 HA TYR A 40 9.170 2.101 1.042 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.184 0.508 -0.679 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.768 1.950 0.225 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.537 4.164 -0.521 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.463 0.653 -2.752 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.179 5.590 -2.513 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.101 2.092 -4.737 1.00 0.00 H new ATOM 0 HH TYR A 40 9.294 4.088 -5.508 1.00 0.00 H new ATOM 576 N LYS A 41 8.914 -0.699 2.141 1.00 0.00 N ATOM 577 CA LYS A 41 8.531 -1.562 3.246 1.00 0.00 C ATOM 578 C LYS A 41 8.790 -0.836 4.568 1.00 0.00 C ATOM 579 O LYS A 41 7.936 -0.828 5.453 1.00 0.00 O ATOM 580 CB LYS A 41 9.237 -2.915 3.138 1.00 0.00 C ATOM 581 CG LYS A 41 8.717 -3.711 1.940 1.00 0.00 C ATOM 582 CD LYS A 41 9.305 -5.124 1.923 1.00 0.00 C ATOM 583 CE LYS A 41 8.245 -6.154 1.527 1.00 0.00 C ATOM 584 NZ LYS A 41 8.337 -7.351 2.392 1.00 0.00 N ATOM 0 H LYS A 41 9.754 -0.992 1.642 1.00 0.00 H new ATOM 0 HA LYS A 41 7.464 -1.781 3.207 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.312 -2.761 3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.080 -3.485 4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.629 -3.766 1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.976 -3.194 1.016 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.138 -5.167 1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.704 -5.368 2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.252 -5.713 1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.380 -6.441 0.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.611 -8.040 2.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.279 -7.780 2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.186 -7.075 3.383 1.00 0.00 H new ATOM 598 N ASP A 42 9.972 -0.245 4.659 1.00 0.00 N ATOM 599 CA ASP A 42 10.354 0.481 5.858 1.00 0.00 C ATOM 600 C ASP A 42 9.728 1.877 5.825 1.00 0.00 C ATOM 601 O ASP A 42 9.770 2.604 6.817 1.00 0.00 O ATOM 602 CB ASP A 42 11.873 0.646 5.942 1.00 0.00 C ATOM 603 CG ASP A 42 12.532 -0.032 7.144 1.00 0.00 C ATOM 604 OD1 ASP A 42 12.451 0.557 8.243 1.00 0.00 O ATOM 605 OD2 ASP A 42 13.103 -1.125 6.937 1.00 0.00 O ATOM 0 H ASP A 42 10.678 -0.254 3.922 1.00 0.00 H new ATOM 0 HA ASP A 42 10.005 -0.086 6.721 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.318 0.247 5.030 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.107 1.710 5.971 1.00 0.00 H new ATOM 610 N ARG A 43 9.163 2.209 4.674 1.00 0.00 N ATOM 611 CA ARG A 43 8.529 3.505 4.499 1.00 0.00 C ATOM 612 C ARG A 43 7.207 3.558 5.267 1.00 0.00 C ATOM 613 O ARG A 43 6.782 4.625 5.706 1.00 0.00 O ATOM 614 CB ARG A 43 8.263 3.793 3.020 1.00 0.00 C ATOM 615 CG ARG A 43 9.531 4.287 2.321 1.00 0.00 C ATOM 616 CD ARG A 43 9.821 5.746 2.679 1.00 0.00 C ATOM 617 NE ARG A 43 10.672 5.810 3.888 1.00 0.00 N ATOM 618 CZ ARG A 43 11.047 6.951 4.483 1.00 0.00 C ATOM 619 NH1 ARG A 43 10.649 8.129 3.983 1.00 0.00 N ATOM 620 NH2 ARG A 43 11.819 6.914 5.577 1.00 0.00 N ATOM 0 H ARG A 43 9.131 1.604 3.854 1.00 0.00 H new ATOM 0 HA ARG A 43 9.210 4.262 4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.901 2.889 2.529 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.477 4.542 2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.377 3.663 2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.417 4.189 1.241 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.320 6.241 1.846 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.886 6.279 2.853 1.00 0.00 H new ATOM 0 HE ARG A 43 10.993 4.931 4.294 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.061 8.157 3.150 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.934 8.998 4.435 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.122 6.017 5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.104 7.782 6.030 1.00 0.00 H new ATOM 634 N PHE A 44 6.593 2.392 5.406 1.00 0.00 N ATOM 635 CA PHE A 44 5.328 2.291 6.114 1.00 0.00 C ATOM 636 C PHE A 44 5.017 0.838 6.478 1.00 0.00 C ATOM 637 O PHE A 44 5.802 -0.061 6.182 1.00 0.00 O ATOM 638 CB PHE A 44 4.244 2.811 5.168 1.00 0.00 C ATOM 639 CG PHE A 44 4.338 2.252 3.747 1.00 0.00 C ATOM 640 CD1 PHE A 44 4.223 0.914 3.534 1.00 0.00 C ATOM 641 CD2 PHE A 44 4.537 3.093 2.697 1.00 0.00 C ATOM 642 CE1 PHE A 44 4.310 0.395 2.215 1.00 0.00 C ATOM 643 CE2 PHE A 44 4.624 2.574 1.378 1.00 0.00 C ATOM 644 CZ PHE A 44 4.508 1.236 1.165 1.00 0.00 C ATOM 0 H PHE A 44 6.948 1.509 5.040 1.00 0.00 H new ATOM 0 HA PHE A 44 5.372 2.867 7.038 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.266 2.563 5.581 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.305 3.898 5.124 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.066 0.246 4.368 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.629 4.156 2.866 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.219 -0.668 2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.782 3.242 0.544 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.573 0.841 0.162 1.00 0.00 H new ATOM 654 N ILE A 45 3.870 0.654 7.115 1.00 0.00 N ATOM 655 CA ILE A 45 3.446 -0.675 7.522 1.00 0.00 C ATOM 656 C ILE A 45 2.540 -1.270 6.442 1.00 0.00 C ATOM 657 O ILE A 45 1.345 -0.979 6.399 1.00 0.00 O ATOM 658 CB ILE A 45 2.801 -0.630 8.909 1.00 0.00 C ATOM 659 CG1 ILE A 45 3.833 -0.276 9.982 1.00 0.00 C ATOM 660 CG2 ILE A 45 2.077 -1.941 9.220 1.00 0.00 C ATOM 661 CD1 ILE A 45 3.152 0.281 11.234 1.00 0.00 C ATOM 0 H ILE A 45 3.221 1.402 7.359 1.00 0.00 H new ATOM 0 HA ILE A 45 4.307 -1.337 7.617 1.00 0.00 H new ATOM 0 HB ILE A 45 2.050 0.160 8.911 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.411 -1.162 10.242 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.535 0.459 9.588 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.628 -1.882 10.211 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.297 -2.111 8.478 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.790 -2.765 9.193 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.907 0.525 11.981 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.594 1.181 10.975 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.469 -0.465 11.639 1.00 0.00 H new ATOM 673 N LEU A 46 3.143 -2.091 5.595 1.00 0.00 N ATOM 674 CA LEU A 46 2.406 -2.730 4.518 1.00 0.00 C ATOM 675 C LEU A 46 1.491 -3.808 5.101 1.00 0.00 C ATOM 676 O LEU A 46 1.966 -4.827 5.601 1.00 0.00 O ATOM 677 CB LEU A 46 3.366 -3.251 3.447 1.00 0.00 C ATOM 678 CG LEU A 46 2.717 -3.855 2.200 1.00 0.00 C ATOM 679 CD1 LEU A 46 1.881 -2.811 1.457 1.00 0.00 C ATOM 680 CD2 LEU A 46 3.766 -4.501 1.294 1.00 0.00 C ATOM 0 H LEU A 46 4.134 -2.329 5.633 1.00 0.00 H new ATOM 0 HA LEU A 46 1.765 -2.007 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.011 -2.429 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.009 -4.006 3.900 1.00 0.00 H new ATOM 0 HG LEU A 46 2.037 -4.645 2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.431 -3.266 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.095 -2.439 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.521 -1.983 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.278 -4.922 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.490 -3.748 0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.279 -5.293 1.839 1.00 0.00 H new ATOM 692 N GLN A 47 0.194 -3.547 5.018 1.00 0.00 N ATOM 693 CA GLN A 47 -0.792 -4.483 5.531 1.00 0.00 C ATOM 694 C GLN A 47 -1.250 -5.433 4.422 1.00 0.00 C ATOM 695 O GLN A 47 -2.049 -5.055 3.567 1.00 0.00 O ATOM 696 CB GLN A 47 -1.982 -3.743 6.145 1.00 0.00 C ATOM 697 CG GLN A 47 -2.470 -4.448 7.413 1.00 0.00 C ATOM 698 CD GLN A 47 -2.067 -5.924 7.410 1.00 0.00 C ATOM 699 OE1 GLN A 47 -2.689 -6.763 6.780 1.00 0.00 O ATOM 700 NE2 GLN A 47 -0.993 -6.192 8.148 1.00 0.00 N ATOM 0 H GLN A 47 -0.196 -2.701 4.603 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.327 -5.074 6.320 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.695 -2.718 6.382 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.794 -3.687 5.420 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.052 -3.955 8.291 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.554 -4.364 7.486 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.519 -5.441 8.651 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.643 -7.148 8.211 1.00 0.00 H new ATOM 709 N GLU A 48 -0.724 -6.648 4.473 1.00 0.00 N ATOM 710 CA GLU A 48 -1.068 -7.655 3.484 1.00 0.00 C ATOM 711 C GLU A 48 -2.383 -8.341 3.861 1.00 0.00 C ATOM 712 O GLU A 48 -2.399 -9.237 4.704 1.00 0.00 O ATOM 713 CB GLU A 48 0.059 -8.677 3.326 1.00 0.00 C ATOM 714 CG GLU A 48 0.861 -8.416 2.050 1.00 0.00 C ATOM 715 CD GLU A 48 2.334 -8.784 2.243 1.00 0.00 C ATOM 716 OE1 GLU A 48 2.605 -9.999 2.357 1.00 0.00 O ATOM 717 OE2 GLU A 48 3.155 -7.842 2.273 1.00 0.00 O ATOM 0 H GLU A 48 -0.062 -6.958 5.184 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.202 -7.161 2.522 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.720 -8.631 4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.359 -9.683 3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.442 -8.996 1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.778 -7.365 1.773 1.00 0.00 H new ATOM 724 N VAL A 49 -3.452 -7.895 3.219 1.00 0.00 N ATOM 725 CA VAL A 49 -4.768 -8.456 3.476 1.00 0.00 C ATOM 726 C VAL A 49 -5.045 -9.578 2.474 1.00 0.00 C ATOM 727 O VAL A 49 -4.804 -9.420 1.278 1.00 0.00 O ATOM 728 CB VAL A 49 -5.824 -7.349 3.442 1.00 0.00 C ATOM 729 CG1 VAL A 49 -7.227 -7.924 3.649 1.00 0.00 C ATOM 730 CG2 VAL A 49 -5.516 -6.266 4.478 1.00 0.00 C ATOM 0 H VAL A 49 -3.434 -7.151 2.521 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.808 -8.895 4.473 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.794 -6.886 2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.959 -7.117 3.621 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.447 -8.641 2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.276 -8.424 4.616 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.281 -5.491 4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.505 -6.708 5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.542 -5.826 4.266 1.00 0.00 H new ATOM 740 N ASP A 50 -5.547 -10.686 2.998 1.00 0.00 N ATOM 741 CA ASP A 50 -5.859 -11.834 2.164 1.00 0.00 C ATOM 742 C ASP A 50 -7.339 -11.792 1.780 1.00 0.00 C ATOM 743 O ASP A 50 -8.204 -12.118 2.592 1.00 0.00 O ATOM 744 CB ASP A 50 -5.601 -13.144 2.911 1.00 0.00 C ATOM 745 CG ASP A 50 -4.162 -13.660 2.834 1.00 0.00 C ATOM 746 OD1 ASP A 50 -3.277 -12.951 3.358 1.00 0.00 O ATOM 747 OD2 ASP A 50 -3.981 -14.752 2.253 1.00 0.00 O ATOM 0 H ASP A 50 -5.746 -10.813 3.990 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.223 -11.792 1.280 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.866 -13.005 3.959 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.267 -13.909 2.513 1.00 0.00 H new ATOM 752 N ILE A 51 -7.585 -11.389 0.542 1.00 0.00 N ATOM 753 CA ILE A 51 -8.946 -11.301 0.040 1.00 0.00 C ATOM 754 C ILE A 51 -9.419 -12.692 -0.386 1.00 0.00 C ATOM 755 O ILE A 51 -10.619 -12.931 -0.515 1.00 0.00 O ATOM 756 CB ILE A 51 -9.041 -10.252 -1.069 1.00 0.00 C ATOM 757 CG1 ILE A 51 -8.126 -10.610 -2.242 1.00 0.00 C ATOM 758 CG2 ILE A 51 -8.755 -8.851 -0.525 1.00 0.00 C ATOM 759 CD1 ILE A 51 -8.631 -9.983 -3.543 1.00 0.00 C ATOM 0 H ILE A 51 -6.865 -11.120 -0.128 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.621 -10.962 0.826 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.063 -10.247 -1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.113 -10.264 -2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.076 -11.693 -2.352 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.829 -8.124 -1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.481 -8.606 0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.750 -8.823 -0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.963 -10.253 -4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.634 -10.350 -3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.656 -8.898 -3.438 1.00 0.00 H new ATOM 771 N THR A 52 -8.452 -13.573 -0.594 1.00 0.00 N ATOM 772 CA THR A 52 -8.754 -14.934 -1.004 1.00 0.00 C ATOM 773 C THR A 52 -9.536 -15.660 0.093 1.00 0.00 C ATOM 774 O THR A 52 -10.074 -16.742 -0.136 1.00 0.00 O ATOM 775 CB THR A 52 -7.437 -15.622 -1.367 1.00 0.00 C ATOM 776 OG1 THR A 52 -6.758 -15.753 -0.122 1.00 0.00 O ATOM 777 CG2 THR A 52 -6.519 -14.726 -2.200 1.00 0.00 C ATOM 0 H THR A 52 -7.458 -13.371 -0.486 1.00 0.00 H new ATOM 0 HA THR A 52 -9.398 -14.948 -1.883 1.00 0.00 H new ATOM 0 HB THR A 52 -7.647 -16.539 -1.918 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.894 -16.192 -0.265 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.598 -15.262 -2.430 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.022 -14.453 -3.128 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.282 -13.824 -1.636 1.00 0.00 H new ATOM 785 N LEU A 53 -9.574 -15.034 1.261 1.00 0.00 N ATOM 786 CA LEU A 53 -10.281 -15.607 2.394 1.00 0.00 C ATOM 787 C LEU A 53 -11.775 -15.302 2.264 1.00 0.00 C ATOM 788 O LEU A 53 -12.163 -14.372 1.559 1.00 0.00 O ATOM 789 CB LEU A 53 -9.667 -15.124 3.709 1.00 0.00 C ATOM 790 CG LEU A 53 -8.308 -15.724 4.074 1.00 0.00 C ATOM 791 CD1 LEU A 53 -7.651 -14.941 5.213 1.00 0.00 C ATOM 792 CD2 LEU A 53 -8.436 -17.213 4.402 1.00 0.00 C ATOM 0 H LEU A 53 -9.127 -14.136 1.447 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.176 -16.692 2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.563 -14.040 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.367 -15.342 4.516 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.654 -15.640 3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.686 -15.388 5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.504 -13.906 4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.294 -14.971 6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.456 -17.615 4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.113 -17.343 5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.831 -17.744 3.536 1.00 0.00 H new ATOM 804 N PRO A 54 -12.593 -16.124 2.974 1.00 0.00 N ATOM 805 CA PRO A 54 -14.036 -15.951 2.946 1.00 0.00 C ATOM 806 C PRO A 54 -14.460 -14.745 3.786 1.00 0.00 C ATOM 807 O PRO A 54 -15.285 -13.941 3.353 1.00 0.00 O ATOM 808 CB PRO A 54 -14.600 -17.264 3.463 1.00 0.00 C ATOM 809 CG PRO A 54 -13.458 -17.948 4.197 1.00 0.00 C ATOM 810 CD PRO A 54 -12.169 -17.235 3.820 1.00 0.00 C ATOM 0 HA PRO A 54 -14.415 -15.737 1.947 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.445 -17.091 4.130 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.963 -17.883 2.643 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.617 -17.905 5.275 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -13.405 -19.002 3.924 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.640 -16.880 4.704 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.489 -17.901 3.288 1.00 0.00 H new ATOM 818 N GLU A 55 -13.878 -14.656 4.973 1.00 0.00 N ATOM 819 CA GLU A 55 -14.185 -13.562 5.878 1.00 0.00 C ATOM 820 C GLU A 55 -13.756 -12.228 5.263 1.00 0.00 C ATOM 821 O GLU A 55 -14.259 -11.173 5.647 1.00 0.00 O ATOM 822 CB GLU A 55 -13.524 -13.775 7.241 1.00 0.00 C ATOM 823 CG GLU A 55 -11.999 -13.754 7.120 1.00 0.00 C ATOM 824 CD GLU A 55 -11.337 -14.000 8.477 1.00 0.00 C ATOM 825 OE1 GLU A 55 -11.389 -13.070 9.311 1.00 0.00 O ATOM 826 OE2 GLU A 55 -10.795 -15.113 8.650 1.00 0.00 O ATOM 0 H GLU A 55 -13.195 -15.325 5.329 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.263 -13.538 6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.848 -12.997 7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.846 -14.728 7.660 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.677 -14.516 6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.676 -12.792 6.723 1.00 0.00 H new ATOM 833 N ASN A 56 -12.832 -12.319 4.318 1.00 0.00 N ATOM 834 CA ASN A 56 -12.330 -11.132 3.646 1.00 0.00 C ATOM 835 C ASN A 56 -12.915 -11.065 2.234 1.00 0.00 C ATOM 836 O ASN A 56 -12.625 -10.136 1.482 1.00 0.00 O ATOM 837 CB ASN A 56 -10.805 -11.172 3.525 1.00 0.00 C ATOM 838 CG ASN A 56 -10.145 -11.166 4.905 1.00 0.00 C ATOM 839 OD1 ASN A 56 -10.682 -10.660 5.876 1.00 0.00 O ATOM 840 ND2 ASN A 56 -8.953 -11.755 4.936 1.00 0.00 N ATOM 0 H ASN A 56 -12.418 -13.196 4.002 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.623 -10.262 4.234 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.503 -12.065 2.978 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.460 -10.313 2.949 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.430 -11.803 5.811 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.561 -12.159 4.085 1.00 0.00 H new ATOM 847 N SER A 57 -13.729 -12.061 1.917 1.00 0.00 N ATOM 848 CA SER A 57 -14.358 -12.126 0.609 1.00 0.00 C ATOM 849 C SER A 57 -14.804 -10.729 0.172 1.00 0.00 C ATOM 850 O SER A 57 -14.540 -10.314 -0.955 1.00 0.00 O ATOM 851 CB SER A 57 -15.550 -13.085 0.618 1.00 0.00 C ATOM 852 OG SER A 57 -16.163 -13.187 -0.664 1.00 0.00 O ATOM 0 H SER A 57 -13.967 -12.830 2.544 1.00 0.00 H new ATOM 0 HA SER A 57 -13.626 -12.506 -0.104 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.219 -14.072 0.941 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.286 -12.742 1.345 1.00 0.00 H new ATOM 0 HG SER A 57 -16.918 -13.809 -0.617 1.00 0.00 H new ATOM 858 N THR A 58 -15.471 -10.043 1.088 1.00 0.00 N ATOM 859 CA THR A 58 -15.956 -8.701 0.811 1.00 0.00 C ATOM 860 C THR A 58 -14.874 -7.878 0.109 1.00 0.00 C ATOM 861 O THR A 58 -15.138 -7.237 -0.907 1.00 0.00 O ATOM 862 CB THR A 58 -16.427 -8.087 2.131 1.00 0.00 C ATOM 863 OG1 THR A 58 -17.724 -8.643 2.329 1.00 0.00 O ATOM 864 CG2 THR A 58 -16.680 -6.582 2.019 1.00 0.00 C ATOM 0 H THR A 58 -15.687 -10.391 2.022 1.00 0.00 H new ATOM 0 HA THR A 58 -16.803 -8.719 0.125 1.00 0.00 H new ATOM 0 HB THR A 58 -15.682 -8.273 2.904 1.00 0.00 H new ATOM 0 HG1 THR A 58 -18.103 -8.299 3.165 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.012 -6.196 2.983 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.759 -6.079 1.725 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.450 -6.397 1.269 1.00 0.00 H new ATOM 872 N TRP A 59 -13.679 -7.921 0.679 1.00 0.00 N ATOM 873 CA TRP A 59 -12.556 -7.187 0.121 1.00 0.00 C ATOM 874 C TRP A 59 -12.382 -7.625 -1.334 1.00 0.00 C ATOM 875 O TRP A 59 -12.093 -6.804 -2.203 1.00 0.00 O ATOM 876 CB TRP A 59 -11.295 -7.391 0.963 1.00 0.00 C ATOM 877 CG TRP A 59 -11.217 -6.488 2.196 1.00 0.00 C ATOM 878 CD1 TRP A 59 -11.252 -6.849 3.486 1.00 0.00 C ATOM 879 CD2 TRP A 59 -11.088 -5.051 2.203 1.00 0.00 C ATOM 880 NE1 TRP A 59 -11.156 -5.754 4.320 1.00 0.00 N ATOM 881 CE2 TRP A 59 -11.052 -4.626 3.515 1.00 0.00 C ATOM 882 CE3 TRP A 59 -11.003 -4.140 1.135 1.00 0.00 C ATOM 883 CZ2 TRP A 59 -10.932 -3.280 3.882 1.00 0.00 C ATOM 884 CZ3 TRP A 59 -10.883 -2.799 1.519 1.00 0.00 C ATOM 885 CH2 TRP A 59 -10.846 -2.355 2.835 1.00 0.00 C ATOM 0 H TRP A 59 -13.464 -8.453 1.522 1.00 0.00 H new ATOM 0 HA TRP A 59 -12.748 -6.114 0.141 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.249 -8.432 1.284 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.420 -7.212 0.338 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -11.344 -7.869 3.830 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -11.161 -5.770 5.340 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -11.028 -4.450 0.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -10.907 -2.972 4.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.814 -2.057 0.737 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.751 -1.301 3.049 1.00 0.00 H new ATOM 896 N TYR A 60 -12.564 -8.919 -1.555 1.00 0.00 N ATOM 897 CA TYR A 60 -12.430 -9.476 -2.890 1.00 0.00 C ATOM 898 C TYR A 60 -13.631 -9.105 -3.763 1.00 0.00 C ATOM 899 O TYR A 60 -13.466 -8.576 -4.861 1.00 0.00 O ATOM 900 CB TYR A 60 -12.394 -10.995 -2.712 1.00 0.00 C ATOM 901 CG TYR A 60 -11.863 -11.752 -3.931 1.00 0.00 C ATOM 902 CD1 TYR A 60 -12.698 -12.014 -4.998 1.00 0.00 C ATOM 903 CD2 TYR A 60 -10.549 -12.173 -3.963 1.00 0.00 C ATOM 904 CE1 TYR A 60 -12.198 -12.727 -6.145 1.00 0.00 C ATOM 905 CE2 TYR A 60 -10.049 -12.886 -5.110 1.00 0.00 C ATOM 906 CZ TYR A 60 -10.899 -13.128 -6.144 1.00 0.00 C ATOM 907 OH TYR A 60 -10.427 -13.802 -7.228 1.00 0.00 O ATOM 0 H TYR A 60 -12.803 -9.597 -0.832 1.00 0.00 H new ATOM 0 HA TYR A 60 -11.535 -9.091 -3.378 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.773 -11.235 -1.849 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.401 -11.348 -2.488 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -13.726 -11.684 -4.973 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -9.896 -11.968 -3.128 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -12.840 -12.938 -6.987 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.023 -13.221 -5.148 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.483 -14.025 -7.089 1.00 0.00 H new ATOM 917 N GLU A 61 -14.813 -9.397 -3.240 1.00 0.00 N ATOM 918 CA GLU A 61 -16.042 -9.101 -3.958 1.00 0.00 C ATOM 919 C GLU A 61 -16.047 -7.643 -4.422 1.00 0.00 C ATOM 920 O GLU A 61 -16.718 -7.300 -5.394 1.00 0.00 O ATOM 921 CB GLU A 61 -17.267 -9.406 -3.095 1.00 0.00 C ATOM 922 CG GLU A 61 -17.545 -10.910 -3.049 1.00 0.00 C ATOM 923 CD GLU A 61 -18.823 -11.255 -3.817 1.00 0.00 C ATOM 924 OE1 GLU A 61 -19.906 -11.111 -3.211 1.00 0.00 O ATOM 925 OE2 GLU A 61 -18.687 -11.655 -4.993 1.00 0.00 O ATOM 0 H GLU A 61 -14.946 -9.835 -2.329 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.090 -9.742 -4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.106 -9.031 -2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.137 -8.884 -3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.702 -11.453 -3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.640 -11.234 -2.013 1.00 0.00 H new ATOM 932 N ARG A 62 -15.291 -6.824 -3.706 1.00 0.00 N ATOM 933 CA ARG A 62 -15.200 -5.412 -4.032 1.00 0.00 C ATOM 934 C ARG A 62 -13.944 -5.138 -4.863 1.00 0.00 C ATOM 935 O ARG A 62 -13.914 -4.201 -5.658 1.00 0.00 O ATOM 936 CB ARG A 62 -15.161 -4.555 -2.765 1.00 0.00 C ATOM 937 CG ARG A 62 -13.816 -4.695 -2.050 1.00 0.00 C ATOM 938 CD ARG A 62 -13.604 -3.554 -1.053 1.00 0.00 C ATOM 939 NE ARG A 62 -13.956 -2.261 -1.681 1.00 0.00 N ATOM 940 CZ ARG A 62 -14.301 -1.162 -0.996 1.00 0.00 C ATOM 941 NH1 ARG A 62 -14.343 -1.193 0.343 1.00 0.00 N ATOM 942 NH2 ARG A 62 -14.604 -0.032 -1.650 1.00 0.00 N ATOM 0 H ARG A 62 -14.735 -7.112 -2.901 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.086 -5.148 -4.609 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.333 -3.510 -3.023 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.966 -4.854 -2.094 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.775 -5.651 -1.528 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.009 -4.697 -2.783 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.217 -3.716 -0.167 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.565 -3.537 -0.723 1.00 0.00 H new ATOM 0 HE ARG A 62 -13.935 -2.203 -2.699 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.112 -2.053 0.841 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.606 -0.357 0.865 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.572 -0.008 -2.669 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.867 0.804 -1.128 1.00 0.00 H new ATOM 956 N TYR A 63 -12.939 -5.975 -4.650 1.00 0.00 N ATOM 957 CA TYR A 63 -11.684 -5.835 -5.369 1.00 0.00 C ATOM 958 C TYR A 63 -11.164 -7.197 -5.834 1.00 0.00 C ATOM 959 O TYR A 63 -10.192 -7.715 -5.285 1.00 0.00 O ATOM 960 CB TYR A 63 -10.691 -5.237 -4.371 1.00 0.00 C ATOM 961 CG TYR A 63 -11.011 -3.798 -3.961 1.00 0.00 C ATOM 962 CD1 TYR A 63 -11.340 -2.864 -4.921 1.00 0.00 C ATOM 963 CD2 TYR A 63 -10.971 -3.435 -2.630 1.00 0.00 C ATOM 964 CE1 TYR A 63 -11.642 -1.510 -4.535 1.00 0.00 C ATOM 965 CE2 TYR A 63 -11.273 -2.081 -2.243 1.00 0.00 C ATOM 966 CZ TYR A 63 -11.593 -1.185 -3.215 1.00 0.00 C ATOM 967 OH TYR A 63 -11.878 0.094 -2.850 1.00 0.00 O ATOM 0 H TYR A 63 -12.968 -6.752 -3.990 1.00 0.00 H new ATOM 0 HA TYR A 63 -11.815 -5.211 -6.253 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.668 -5.862 -3.478 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.692 -5.266 -4.806 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.371 -3.148 -5.962 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.713 -4.167 -1.878 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.902 -0.769 -5.277 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.246 -1.784 -1.205 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.805 0.180 -1.877 1.00 0.00 H new ATOM 977 N LYS A 64 -11.834 -7.739 -6.840 1.00 0.00 N ATOM 978 CA LYS A 64 -11.452 -9.030 -7.385 1.00 0.00 C ATOM 979 C LYS A 64 -10.859 -8.835 -8.782 1.00 0.00 C ATOM 980 O LYS A 64 -10.216 -9.735 -9.318 1.00 0.00 O ATOM 981 CB LYS A 64 -12.637 -9.998 -7.350 1.00 0.00 C ATOM 982 CG LYS A 64 -13.778 -9.500 -8.238 1.00 0.00 C ATOM 983 CD LYS A 64 -15.051 -10.318 -8.005 1.00 0.00 C ATOM 984 CE LYS A 64 -16.277 -9.408 -7.912 1.00 0.00 C ATOM 985 NZ LYS A 64 -17.244 -9.941 -6.927 1.00 0.00 N ATOM 0 H LYS A 64 -12.640 -7.307 -7.292 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.677 -9.488 -6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.315 -10.984 -7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.991 -10.108 -6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.974 -8.448 -8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.485 -9.568 -9.286 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.184 -11.031 -8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.953 -10.897 -7.087 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.970 -8.403 -7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.752 -9.327 -8.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.094 -10.278 -7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.810 -10.730 -6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.508 -9.190 -6.258 1.00 0.00 H new ATOM 999 N PHE A 65 -11.098 -7.652 -9.330 1.00 0.00 N ATOM 1000 CA PHE A 65 -10.595 -7.327 -10.654 1.00 0.00 C ATOM 1001 C PHE A 65 -9.873 -5.978 -10.651 1.00 0.00 C ATOM 1002 O PHE A 65 -9.480 -5.477 -11.703 1.00 0.00 O ATOM 1003 CB PHE A 65 -11.807 -7.241 -11.584 1.00 0.00 C ATOM 1004 CG PHE A 65 -13.063 -6.673 -10.919 1.00 0.00 C ATOM 1005 CD1 PHE A 65 -13.124 -5.353 -10.598 1.00 0.00 C ATOM 1006 CD2 PHE A 65 -14.117 -7.489 -10.648 1.00 0.00 C ATOM 1007 CE1 PHE A 65 -14.290 -4.826 -9.980 1.00 0.00 C ATOM 1008 CE2 PHE A 65 -15.282 -6.962 -10.030 1.00 0.00 C ATOM 1009 CZ PHE A 65 -15.344 -5.642 -9.709 1.00 0.00 C ATOM 0 H PHE A 65 -11.633 -6.908 -8.882 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.885 -8.088 -10.979 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.550 -6.620 -12.442 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -12.030 -8.237 -11.967 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -12.287 -4.706 -10.813 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -14.068 -8.537 -10.903 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -14.339 -3.778 -9.725 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -16.119 -7.610 -9.815 1.00 0.00 H new ATOM 0 HZ PHE A 65 -16.230 -5.242 -9.239 1.00 0.00 H new ATOM 1019 N ASP A 66 -9.719 -5.429 -9.455 1.00 0.00 N ATOM 1020 CA ASP A 66 -9.051 -4.148 -9.300 1.00 0.00 C ATOM 1021 C ASP A 66 -7.653 -4.373 -8.723 1.00 0.00 C ATOM 1022 O ASP A 66 -6.676 -3.807 -9.212 1.00 0.00 O ATOM 1023 CB ASP A 66 -9.819 -3.239 -8.338 1.00 0.00 C ATOM 1024 CG ASP A 66 -11.337 -3.427 -8.344 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -11.764 -4.602 -8.344 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -12.037 -2.391 -8.347 1.00 0.00 O ATOM 0 H ASP A 66 -10.045 -5.848 -8.584 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.999 -3.674 -10.280 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.451 -3.412 -7.327 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.596 -2.201 -8.586 1.00 0.00 H new ATOM 1031 N ILE A 67 -7.600 -5.202 -7.691 1.00 0.00 N ATOM 1032 CA ILE A 67 -6.337 -5.510 -7.041 1.00 0.00 C ATOM 1033 C ILE A 67 -5.227 -5.560 -8.093 1.00 0.00 C ATOM 1034 O ILE A 67 -5.492 -5.806 -9.269 1.00 0.00 O ATOM 1035 CB ILE A 67 -6.458 -6.790 -6.213 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -7.152 -7.896 -7.011 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -7.160 -6.517 -4.881 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -7.402 -9.128 -6.139 1.00 0.00 C ATOM 0 H ILE A 67 -8.412 -5.670 -7.288 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.071 -4.725 -6.333 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.453 -7.143 -5.981 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.099 -7.526 -7.404 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.537 -8.171 -7.868 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.233 -7.444 -4.312 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.587 -5.785 -4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.160 -6.127 -5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.896 -9.898 -6.731 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.451 -9.510 -5.768 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.037 -8.855 -5.296 1.00 0.00 H new ATOM 1050 N PRO A 68 -3.975 -5.318 -7.620 1.00 0.00 N ATOM 1051 CA PRO A 68 -3.749 -5.035 -6.213 1.00 0.00 C ATOM 1052 C PRO A 68 -4.195 -3.615 -5.860 1.00 0.00 C ATOM 1053 O PRO A 68 -3.877 -2.665 -6.574 1.00 0.00 O ATOM 1054 CB PRO A 68 -2.261 -5.261 -6.001 1.00 0.00 C ATOM 1055 CG PRO A 68 -1.630 -5.207 -7.383 1.00 0.00 C ATOM 1056 CD PRO A 68 -2.747 -5.306 -8.409 1.00 0.00 C ATOM 0 HA PRO A 68 -4.334 -5.678 -5.555 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.839 -4.496 -5.349 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.076 -6.224 -5.525 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.074 -4.279 -7.513 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.920 -6.024 -7.511 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.727 -4.462 -9.098 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.654 -6.211 -9.010 1.00 0.00 H new ATOM 1064 N VAL A 69 -4.924 -3.514 -4.758 1.00 0.00 N ATOM 1065 CA VAL A 69 -5.417 -2.226 -4.302 1.00 0.00 C ATOM 1066 C VAL A 69 -4.569 -1.750 -3.120 1.00 0.00 C ATOM 1067 O VAL A 69 -4.248 -2.532 -2.228 1.00 0.00 O ATOM 1068 CB VAL A 69 -6.907 -2.324 -3.969 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -7.409 -1.033 -3.318 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -7.726 -2.664 -5.215 1.00 0.00 C ATOM 0 H VAL A 69 -5.185 -4.304 -4.168 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.323 -1.480 -5.091 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.038 -3.134 -3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.471 -1.129 -3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.856 -0.851 -2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.258 -0.198 -4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.781 -2.728 -4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.586 -1.886 -5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.395 -3.621 -5.618 1.00 0.00 H new ATOM 1080 N PHE A 70 -4.232 -0.469 -3.153 1.00 0.00 N ATOM 1081 CA PHE A 70 -3.428 0.121 -2.096 1.00 0.00 C ATOM 1082 C PHE A 70 -4.182 1.257 -1.403 1.00 0.00 C ATOM 1083 O PHE A 70 -4.618 2.206 -2.054 1.00 0.00 O ATOM 1084 CB PHE A 70 -2.169 0.687 -2.755 1.00 0.00 C ATOM 1085 CG PHE A 70 -1.297 -0.367 -3.440 1.00 0.00 C ATOM 1086 CD1 PHE A 70 -1.529 -0.703 -4.737 1.00 0.00 C ATOM 1087 CD2 PHE A 70 -0.290 -0.968 -2.751 1.00 0.00 C ATOM 1088 CE1 PHE A 70 -0.719 -1.681 -5.373 1.00 0.00 C ATOM 1089 CE2 PHE A 70 0.520 -1.946 -3.387 1.00 0.00 C ATOM 1090 CZ PHE A 70 0.288 -2.282 -4.684 1.00 0.00 C ATOM 0 H PHE A 70 -4.501 0.177 -3.895 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.190 -0.632 -1.345 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.462 1.435 -3.491 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.575 1.200 -1.999 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.329 -0.226 -5.284 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.106 -0.702 -1.721 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.903 -1.947 -6.403 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.320 -2.423 -2.840 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.904 -3.026 -5.167 1.00 0.00 H new ATOM 1100 N HIS A 71 -4.314 1.123 -0.091 1.00 0.00 N ATOM 1101 CA HIS A 71 -5.008 2.127 0.697 1.00 0.00 C ATOM 1102 C HIS A 71 -4.026 2.787 1.667 1.00 0.00 C ATOM 1103 O HIS A 71 -3.392 2.108 2.472 1.00 0.00 O ATOM 1104 CB HIS A 71 -6.222 1.519 1.404 1.00 0.00 C ATOM 1105 CG HIS A 71 -7.266 0.965 0.465 1.00 0.00 C ATOM 1106 ND1 HIS A 71 -8.416 0.336 0.909 1.00 0.00 N ATOM 1107 CD2 HIS A 71 -7.322 0.952 -0.898 1.00 0.00 C ATOM 1108 CE1 HIS A 71 -9.124 -0.036 -0.147 1.00 0.00 C ATOM 1109 NE2 HIS A 71 -8.444 0.347 -1.266 1.00 0.00 N ATOM 0 H HIS A 71 -3.952 0.335 0.446 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.395 2.906 0.041 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.883 0.721 2.065 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.682 2.281 2.034 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -8.675 0.185 1.884 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.579 1.364 -1.565 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.073 -0.552 -0.126 1.00 0.00 H new ATOM 1117 N LEU A 72 -3.932 4.104 1.558 1.00 0.00 N ATOM 1118 CA LEU A 72 -3.038 4.864 2.415 1.00 0.00 C ATOM 1119 C LEU A 72 -3.864 5.679 3.412 1.00 0.00 C ATOM 1120 O LEU A 72 -4.631 6.555 3.018 1.00 0.00 O ATOM 1121 CB LEU A 72 -2.079 5.710 1.574 1.00 0.00 C ATOM 1122 CG LEU A 72 -0.600 5.626 1.955 1.00 0.00 C ATOM 1123 CD1 LEU A 72 0.181 6.811 1.384 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -0.430 5.505 3.471 1.00 0.00 C ATOM 0 H LEU A 72 -4.460 4.664 0.889 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.407 4.193 2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.182 5.412 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.392 6.752 1.640 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.184 4.722 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.230 6.727 1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.100 6.811 0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.229 7.741 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.631 5.447 3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.867 6.378 3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.933 4.604 3.823 1.00 0.00 H new ATOM 1136 N ASN A 73 -3.679 5.361 4.685 1.00 0.00 N ATOM 1137 CA ASN A 73 -4.397 6.052 5.741 1.00 0.00 C ATOM 1138 C ASN A 73 -5.898 5.801 5.581 1.00 0.00 C ATOM 1139 O ASN A 73 -6.688 6.743 5.543 1.00 0.00 O ATOM 1140 CB ASN A 73 -4.161 7.562 5.671 1.00 0.00 C ATOM 1141 CG ASN A 73 -2.980 7.974 6.552 1.00 0.00 C ATOM 1142 OD1 ASN A 73 -3.133 8.362 7.699 1.00 0.00 O ATOM 1143 ND2 ASN A 73 -1.796 7.868 5.955 1.00 0.00 N ATOM 0 H ASN A 73 -3.042 4.633 5.008 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.035 5.674 6.697 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.969 7.856 4.639 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.060 8.089 5.991 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.946 8.119 6.460 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.738 7.536 4.992 1.00 0.00 H new ATOM 1150 N GLY A 74 -6.245 4.525 5.490 1.00 0.00 N ATOM 1151 CA GLY A 74 -7.637 4.138 5.334 1.00 0.00 C ATOM 1152 C GLY A 74 -8.296 4.910 4.189 1.00 0.00 C ATOM 1153 O GLY A 74 -9.440 5.347 4.308 1.00 0.00 O ATOM 0 H GLY A 74 -5.587 3.747 5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.701 3.067 5.140 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.177 4.326 6.262 1.00 0.00 H new ATOM 1157 N GLN A 75 -7.546 5.055 3.107 1.00 0.00 N ATOM 1158 CA GLN A 75 -8.043 5.766 1.942 1.00 0.00 C ATOM 1159 C GLN A 75 -7.338 5.273 0.677 1.00 0.00 C ATOM 1160 O GLN A 75 -6.120 5.393 0.554 1.00 0.00 O ATOM 1161 CB GLN A 75 -7.874 7.278 2.109 1.00 0.00 C ATOM 1162 CG GLN A 75 -9.195 8.008 1.856 1.00 0.00 C ATOM 1163 CD GLN A 75 -9.273 8.515 0.414 1.00 0.00 C ATOM 1164 OE1 GLN A 75 -8.666 9.506 0.043 1.00 0.00 O ATOM 1165 NE2 GLN A 75 -10.054 7.782 -0.375 1.00 0.00 N ATOM 0 H GLN A 75 -6.597 4.692 3.013 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.109 5.560 1.844 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.519 7.499 3.116 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.115 7.642 1.416 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.030 7.336 2.055 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.289 8.847 2.546 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.534 6.964 0.000 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.173 8.038 -1.355 1.00 0.00 H new ATOM 1174 N PHE A 76 -8.133 4.726 -0.231 1.00 0.00 N ATOM 1175 CA PHE A 76 -7.600 4.214 -1.482 1.00 0.00 C ATOM 1176 C PHE A 76 -6.556 5.168 -2.065 1.00 0.00 C ATOM 1177 O PHE A 76 -6.891 6.265 -2.507 1.00 0.00 O ATOM 1178 CB PHE A 76 -8.774 4.104 -2.457 1.00 0.00 C ATOM 1179 CG PHE A 76 -8.455 4.588 -3.872 1.00 0.00 C ATOM 1180 CD1 PHE A 76 -7.757 3.789 -4.723 1.00 0.00 C ATOM 1181 CD2 PHE A 76 -8.868 5.818 -4.280 1.00 0.00 C ATOM 1182 CE1 PHE A 76 -7.460 4.238 -6.037 1.00 0.00 C ATOM 1183 CE2 PHE A 76 -8.571 6.268 -5.594 1.00 0.00 C ATOM 1184 CZ PHE A 76 -7.874 5.468 -6.445 1.00 0.00 C ATOM 0 H PHE A 76 -9.143 4.626 -0.125 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.119 3.251 -1.314 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.098 3.064 -2.504 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.612 4.681 -2.067 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.428 2.812 -4.399 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.422 6.453 -3.604 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.906 3.603 -6.712 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.898 7.245 -5.917 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.649 5.809 -7.445 1.00 0.00 H new ATOM 1194 N LEU A 77 -5.311 4.715 -2.046 1.00 0.00 N ATOM 1195 CA LEU A 77 -4.216 5.514 -2.567 1.00 0.00 C ATOM 1196 C LEU A 77 -4.079 5.266 -4.071 1.00 0.00 C ATOM 1197 O LEU A 77 -3.920 6.207 -4.847 1.00 0.00 O ATOM 1198 CB LEU A 77 -2.932 5.243 -1.780 1.00 0.00 C ATOM 1199 CG LEU A 77 -1.715 4.822 -2.606 1.00 0.00 C ATOM 1200 CD1 LEU A 77 -1.084 6.027 -3.307 1.00 0.00 C ATOM 1201 CD2 LEU A 77 -0.702 4.065 -1.744 1.00 0.00 C ATOM 0 H LEU A 77 -5.037 3.804 -1.678 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.424 6.576 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.674 6.144 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.137 4.462 -1.047 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.051 4.137 -3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.221 5.700 -3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.816 6.485 -3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.765 6.756 -2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.153 3.777 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.366 4.707 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.171 3.171 -1.332 1.00 0.00 H new ATOM 1213 N MET A 78 -4.146 3.994 -4.437 1.00 0.00 N ATOM 1214 CA MET A 78 -4.031 3.610 -5.833 1.00 0.00 C ATOM 1215 C MET A 78 -4.211 2.100 -6.003 1.00 0.00 C ATOM 1216 O MET A 78 -3.919 1.330 -5.090 1.00 0.00 O ATOM 1217 CB MET A 78 -2.658 4.025 -6.366 1.00 0.00 C ATOM 1218 CG MET A 78 -1.578 3.034 -5.928 1.00 0.00 C ATOM 1219 SD MET A 78 0.032 3.632 -6.413 1.00 0.00 S ATOM 1220 CE MET A 78 1.062 2.678 -5.310 1.00 0.00 C ATOM 0 H MET A 78 -4.279 3.216 -3.790 1.00 0.00 H new ATOM 0 HA MET A 78 -4.816 4.116 -6.395 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.687 4.079 -7.454 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.410 5.023 -6.004 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.614 2.898 -4.847 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.764 2.059 -6.378 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.102 2.751 -5.629 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.966 3.066 -4.296 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.748 1.634 -5.331 1.00 0.00 H new ATOM 1230 N MET A 79 -4.690 1.722 -7.179 1.00 0.00 N ATOM 1231 CA MET A 79 -4.911 0.318 -7.481 1.00 0.00 C ATOM 1232 C MET A 79 -4.711 0.039 -8.972 1.00 0.00 C ATOM 1233 O MET A 79 -4.757 0.956 -9.790 1.00 0.00 O ATOM 1234 CB MET A 79 -6.334 -0.073 -7.075 1.00 0.00 C ATOM 1235 CG MET A 79 -7.367 0.799 -7.791 1.00 0.00 C ATOM 1236 SD MET A 79 -9.011 0.172 -7.486 1.00 0.00 S ATOM 1237 CE MET A 79 -9.924 1.705 -7.445 1.00 0.00 C ATOM 0 H MET A 79 -4.931 2.364 -7.934 1.00 0.00 H new ATOM 0 HA MET A 79 -4.187 -0.273 -6.920 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.509 -1.122 -7.315 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.450 0.031 -5.996 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.291 1.829 -7.442 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.166 0.810 -8.862 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.985 1.493 -7.316 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.572 2.316 -6.614 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.773 2.244 -8.380 1.00 0.00 H new ATOM 1247 N HIS A 80 -4.492 -1.231 -9.279 1.00 0.00 N ATOM 1248 CA HIS A 80 -4.284 -1.642 -10.657 1.00 0.00 C ATOM 1249 C HIS A 80 -2.801 -1.517 -11.012 1.00 0.00 C ATOM 1250 O HIS A 80 -2.423 -1.658 -12.174 1.00 0.00 O ATOM 1251 CB HIS A 80 -5.189 -0.849 -11.603 1.00 0.00 C ATOM 1252 CG HIS A 80 -6.623 -0.747 -11.140 1.00 0.00 C ATOM 1253 ND1 HIS A 80 -7.611 -0.137 -11.892 1.00 0.00 N ATOM 1254 CD2 HIS A 80 -7.223 -1.185 -9.997 1.00 0.00 C ATOM 1255 CE1 HIS A 80 -8.751 -0.209 -11.221 1.00 0.00 C ATOM 1256 NE2 HIS A 80 -8.509 -0.858 -10.046 1.00 0.00 N ATOM 0 H HIS A 80 -4.454 -1.989 -8.597 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.563 -2.689 -10.774 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.783 0.156 -11.720 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.168 -1.318 -12.587 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -7.483 0.295 -12.807 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.735 -1.709 -9.189 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.705 0.178 -11.547 1.00 0.00 H new ATOM 1264 N ARG A 81 -2.001 -1.255 -9.989 1.00 0.00 N ATOM 1265 CA ARG A 81 -0.568 -1.109 -10.178 1.00 0.00 C ATOM 1266 C ARG A 81 0.061 -0.426 -8.962 1.00 0.00 C ATOM 1267 O ARG A 81 -0.616 -0.177 -7.966 1.00 0.00 O ATOM 1268 CB ARG A 81 -0.258 -0.289 -11.432 1.00 0.00 C ATOM 1269 CG ARG A 81 -1.124 0.971 -11.491 1.00 0.00 C ATOM 1270 CD ARG A 81 -1.264 1.473 -12.930 1.00 0.00 C ATOM 1271 NE ARG A 81 -2.571 1.059 -13.486 1.00 0.00 N ATOM 1272 CZ ARG A 81 -2.926 1.215 -14.768 1.00 0.00 C ATOM 1273 NH1 ARG A 81 -2.073 1.777 -15.635 1.00 0.00 N ATOM 1274 NH2 ARG A 81 -4.133 0.809 -15.184 1.00 0.00 N ATOM 0 H ARG A 81 -2.318 -1.140 -9.026 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.146 -2.107 -10.297 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.796 -0.011 -11.438 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.432 -0.896 -12.320 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.110 0.758 -11.079 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.681 1.751 -10.871 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.177 2.559 -12.955 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.456 1.074 -13.543 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.244 0.627 -12.853 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.154 2.086 -15.319 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.343 1.896 -16.611 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.782 0.381 -14.524 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.403 0.928 -16.160 1.00 0.00 H new ATOM 1288 N VAL A 82 1.350 -0.143 -9.084 1.00 0.00 N ATOM 1289 CA VAL A 82 2.078 0.506 -8.007 1.00 0.00 C ATOM 1290 C VAL A 82 2.857 1.697 -8.570 1.00 0.00 C ATOM 1291 O VAL A 82 4.058 1.599 -8.813 1.00 0.00 O ATOM 1292 CB VAL A 82 2.972 -0.509 -7.293 1.00 0.00 C ATOM 1293 CG1 VAL A 82 3.697 0.135 -6.110 1.00 0.00 C ATOM 1294 CG2 VAL A 82 2.166 -1.730 -6.845 1.00 0.00 C ATOM 0 H VAL A 82 1.908 -0.351 -9.912 1.00 0.00 H new ATOM 0 HA VAL A 82 1.387 0.893 -7.258 1.00 0.00 H new ATOM 0 HB VAL A 82 3.727 -0.848 -8.003 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.326 -0.609 -5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.318 0.957 -6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.965 0.517 -5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.825 -2.436 -6.340 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.379 -1.415 -6.160 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.719 -2.210 -7.715 1.00 0.00 H new ATOM 1304 N ASN A 83 2.140 2.795 -8.760 1.00 0.00 N ATOM 1305 CA ASN A 83 2.749 4.004 -9.289 1.00 0.00 C ATOM 1306 C ASN A 83 3.458 4.750 -8.157 1.00 0.00 C ATOM 1307 O ASN A 83 2.897 5.676 -7.572 1.00 0.00 O ATOM 1308 CB ASN A 83 1.693 4.938 -9.883 1.00 0.00 C ATOM 1309 CG ASN A 83 1.660 4.830 -11.408 1.00 0.00 C ATOM 1310 OD1 ASN A 83 2.620 4.433 -12.049 1.00 0.00 O ATOM 1311 ND2 ASN A 83 0.506 5.204 -11.953 1.00 0.00 N ATOM 0 H ASN A 83 1.143 2.873 -8.557 1.00 0.00 H new ATOM 0 HA ASN A 83 3.453 3.714 -10.069 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.713 4.690 -9.476 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.907 5.966 -9.592 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.385 5.168 -12.965 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.258 5.526 -11.359 1.00 0.00 H new ATOM 1318 N THR A 84 4.680 4.320 -7.882 1.00 0.00 N ATOM 1319 CA THR A 84 5.471 4.936 -6.830 1.00 0.00 C ATOM 1320 C THR A 84 5.247 6.449 -6.811 1.00 0.00 C ATOM 1321 O THR A 84 4.896 7.016 -5.777 1.00 0.00 O ATOM 1322 CB THR A 84 6.934 4.542 -7.046 1.00 0.00 C ATOM 1323 OG1 THR A 84 7.161 4.794 -8.430 1.00 0.00 O ATOM 1324 CG2 THR A 84 7.162 3.036 -6.900 1.00 0.00 C ATOM 0 H THR A 84 5.142 3.552 -8.369 1.00 0.00 H new ATOM 0 HA THR A 84 5.165 4.581 -5.846 1.00 0.00 H new ATOM 0 HB THR A 84 7.562 5.076 -6.333 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.087 4.567 -8.656 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.216 2.810 -7.063 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.874 2.720 -5.897 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.559 2.504 -7.636 1.00 0.00 H new ATOM 1332 N SER A 85 5.458 7.062 -7.967 1.00 0.00 N ATOM 1333 CA SER A 85 5.284 8.498 -8.096 1.00 0.00 C ATOM 1334 C SER A 85 4.104 8.961 -7.239 1.00 0.00 C ATOM 1335 O SER A 85 4.175 10.003 -6.589 1.00 0.00 O ATOM 1336 CB SER A 85 5.067 8.898 -9.557 1.00 0.00 C ATOM 1337 OG SER A 85 5.874 10.012 -9.931 1.00 0.00 O ATOM 0 H SER A 85 5.748 6.589 -8.823 1.00 0.00 H new ATOM 0 HA SER A 85 6.194 8.985 -7.745 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.297 8.051 -10.203 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.016 9.142 -9.714 1.00 0.00 H new ATOM 0 HG SER A 85 5.708 10.235 -10.871 1.00 0.00 H new ATOM 1343 N LYS A 86 3.046 8.163 -7.265 1.00 0.00 N ATOM 1344 CA LYS A 86 1.852 8.478 -6.499 1.00 0.00 C ATOM 1345 C LYS A 86 2.126 8.233 -5.014 1.00 0.00 C ATOM 1346 O LYS A 86 2.023 9.151 -4.200 1.00 0.00 O ATOM 1347 CB LYS A 86 0.649 7.702 -7.038 1.00 0.00 C ATOM 1348 CG LYS A 86 -0.578 8.609 -7.161 1.00 0.00 C ATOM 1349 CD LYS A 86 -1.355 8.308 -8.444 1.00 0.00 C ATOM 1350 CE LYS A 86 -2.499 7.328 -8.176 1.00 0.00 C ATOM 1351 NZ LYS A 86 -3.800 7.944 -8.516 1.00 0.00 N ATOM 0 H LYS A 86 2.991 7.299 -7.804 1.00 0.00 H new ATOM 0 HA LYS A 86 1.597 9.532 -6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.892 7.278 -8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.423 6.867 -6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.227 8.468 -6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.265 9.653 -7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.754 9.234 -8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.681 7.890 -9.192 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.354 6.422 -8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.493 7.032 -7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.565 7.265 -8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.943 8.796 -7.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.808 8.205 -9.523 1.00 0.00 H new ATOM 1365 N LEU A 87 2.469 6.992 -4.705 1.00 0.00 N ATOM 1366 CA LEU A 87 2.759 6.615 -3.331 1.00 0.00 C ATOM 1367 C LEU A 87 3.710 7.642 -2.715 1.00 0.00 C ATOM 1368 O LEU A 87 3.370 8.296 -1.731 1.00 0.00 O ATOM 1369 CB LEU A 87 3.280 5.178 -3.269 1.00 0.00 C ATOM 1370 CG LEU A 87 4.018 4.787 -1.987 1.00 0.00 C ATOM 1371 CD1 LEU A 87 3.098 4.898 -0.769 1.00 0.00 C ATOM 1372 CD2 LEU A 87 4.637 3.394 -2.113 1.00 0.00 C ATOM 0 H LEU A 87 2.553 6.234 -5.382 1.00 0.00 H new ATOM 0 HA LEU A 87 1.848 6.625 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.436 4.501 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.950 5.019 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 87 4.837 5.490 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.647 4.615 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.747 5.925 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.244 4.233 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.155 3.141 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.851 2.662 -2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.346 3.385 -2.941 1.00 0.00 H new ATOM 1384 N GLU A 88 4.884 7.751 -3.319 1.00 0.00 N ATOM 1385 CA GLU A 88 5.888 8.687 -2.842 1.00 0.00 C ATOM 1386 C GLU A 88 5.244 10.038 -2.522 1.00 0.00 C ATOM 1387 O GLU A 88 5.376 10.545 -1.409 1.00 0.00 O ATOM 1388 CB GLU A 88 7.018 8.846 -3.861 1.00 0.00 C ATOM 1389 CG GLU A 88 7.457 7.487 -4.410 1.00 0.00 C ATOM 1390 CD GLU A 88 8.981 7.401 -4.507 1.00 0.00 C ATOM 1391 OE1 GLU A 88 9.506 7.809 -5.566 1.00 0.00 O ATOM 1392 OE2 GLU A 88 9.587 6.930 -3.521 1.00 0.00 O ATOM 0 H GLU A 88 5.163 7.206 -4.135 1.00 0.00 H new ATOM 0 HA GLU A 88 6.323 8.287 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.686 9.483 -4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.867 9.345 -3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.085 6.692 -3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.017 7.329 -5.395 1.00 0.00 H new ATOM 1399 N LYS A 89 4.560 10.582 -3.518 1.00 0.00 N ATOM 1400 CA LYS A 89 3.896 11.864 -3.357 1.00 0.00 C ATOM 1401 C LYS A 89 3.094 11.858 -2.054 1.00 0.00 C ATOM 1402 O LYS A 89 3.226 12.766 -1.235 1.00 0.00 O ATOM 1403 CB LYS A 89 3.056 12.192 -4.593 1.00 0.00 C ATOM 1404 CG LYS A 89 2.888 13.704 -4.757 1.00 0.00 C ATOM 1405 CD LYS A 89 1.625 14.195 -4.047 1.00 0.00 C ATOM 1406 CE LYS A 89 0.536 14.564 -5.057 1.00 0.00 C ATOM 1407 NZ LYS A 89 -0.584 15.257 -4.383 1.00 0.00 N ATOM 0 H LYS A 89 4.451 10.158 -4.439 1.00 0.00 H new ATOM 0 HA LYS A 89 4.631 12.665 -3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.532 11.777 -5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.077 11.721 -4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.760 14.217 -4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.835 13.955 -5.816 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.256 13.419 -3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.864 15.062 -3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.954 15.206 -5.833 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.170 13.664 -5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.314 15.500 -5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.993 14.633 -3.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.234 16.126 -3.932 1.00 0.00 H new ATOM 1421 N GLN A 90 2.281 10.823 -1.902 1.00 0.00 N ATOM 1422 CA GLN A 90 1.458 10.686 -0.712 1.00 0.00 C ATOM 1423 C GLN A 90 2.337 10.657 0.541 1.00 0.00 C ATOM 1424 O GLN A 90 2.201 11.508 1.418 1.00 0.00 O ATOM 1425 CB GLN A 90 0.579 9.436 -0.794 1.00 0.00 C ATOM 1426 CG GLN A 90 -0.500 9.595 -1.867 1.00 0.00 C ATOM 1427 CD GLN A 90 -1.337 10.852 -1.622 1.00 0.00 C ATOM 1428 OE1 GLN A 90 -2.308 10.848 -0.882 1.00 0.00 O ATOM 1429 NE2 GLN A 90 -0.910 11.924 -2.282 1.00 0.00 N ATOM 0 H GLN A 90 2.174 10.071 -2.583 1.00 0.00 H new ATOM 0 HA GLN A 90 0.798 11.551 -0.649 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.197 8.567 -1.020 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.111 9.252 0.173 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.034 9.650 -2.851 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.147 8.718 -1.870 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.090 11.858 -2.885 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.402 12.812 -2.185 1.00 0.00 H new ATOM 1438 N LEU A 91 3.217 9.667 0.584 1.00 0.00 N ATOM 1439 CA LEU A 91 4.118 9.516 1.714 1.00 0.00 C ATOM 1440 C LEU A 91 4.592 10.897 2.172 1.00 0.00 C ATOM 1441 O LEU A 91 4.378 11.281 3.321 1.00 0.00 O ATOM 1442 CB LEU A 91 5.259 8.559 1.366 1.00 0.00 C ATOM 1443 CG LEU A 91 4.926 7.067 1.432 1.00 0.00 C ATOM 1444 CD1 LEU A 91 5.905 6.249 0.586 1.00 0.00 C ATOM 1445 CD2 LEU A 91 4.875 6.580 2.881 1.00 0.00 C ATOM 0 H LEU A 91 3.325 8.962 -0.145 1.00 0.00 H new ATOM 0 HA LEU A 91 3.598 9.061 2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.606 8.790 0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.091 8.756 2.042 1.00 0.00 H new ATOM 0 HG LEU A 91 3.933 6.920 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.646 5.192 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.848 6.574 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.919 6.397 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.636 5.517 2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.843 6.743 3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.109 7.133 3.424 1.00 0.00 H new