USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 526 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 61 THR OG1 : rot -162:sc= -0.273 USER MOD Set 1.2: A 80 HIS : no HD1:sc= -2.51! C(o=-2.8!,f=-3.3!) USER MOD Set 2.1: A 71 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Set 2.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0376 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -170:sc= -0.0105 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.622 USER MOD Single : A 44 LYS NZ :NH3+ 153:sc= 0.158 (180deg=-0.0121) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 57 SER OG : rot 107:sc= 0.033 USER MOD Single : A 62 ASN : amide:sc= -0.0907 K(o=-0.091,f=-2.4) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 82 SER OG : rot 180:sc= -0.0079 USER MOD ----------------------------------------------------------------- ATOM 135 N LYS A 13 -16.164 -7.278 -6.188 1.00 0.88 N ATOM 136 CA LYS A 13 -14.773 -7.079 -5.674 1.00 0.80 C ATOM 137 C LYS A 13 -13.788 -7.973 -6.441 1.00 0.76 C ATOM 138 O LYS A 13 -14.164 -8.972 -7.032 1.00 0.85 O ATOM 139 CB LYS A 13 -14.728 -7.419 -4.178 1.00 0.80 C ATOM 140 CG LYS A 13 -15.736 -6.545 -3.424 1.00 0.91 C ATOM 141 CD LYS A 13 -15.814 -6.985 -1.958 1.00 0.94 C ATOM 142 CE LYS A 13 -16.551 -5.917 -1.140 1.00 1.59 C ATOM 143 NZ LYS A 13 -16.374 -6.187 0.317 1.00 1.97 N ATOM 0 HA LYS A 13 -14.485 -6.038 -5.820 1.00 0.80 H new ATOM 0 HB2 LYS A 13 -14.960 -8.473 -4.027 1.00 0.80 H new ATOM 0 HB3 LYS A 13 -13.724 -7.254 -3.787 1.00 0.80 H new ATOM 0 HG2 LYS A 13 -15.439 -5.498 -3.483 1.00 0.91 H new ATOM 0 HG3 LYS A 13 -16.719 -6.624 -3.889 1.00 0.91 H new ATOM 0 HD2 LYS A 13 -16.334 -7.940 -1.881 1.00 0.94 H new ATOM 0 HD3 LYS A 13 -14.811 -7.136 -1.559 1.00 0.94 H new ATOM 0 HE2 LYS A 13 -16.166 -4.927 -1.386 1.00 1.59 H new ATOM 0 HE3 LYS A 13 -17.611 -5.918 -1.394 1.00 1.59 H new ATOM 0 HZ1 LYS A 13 -16.875 -5.461 0.868 1.00 1.97 H new ATOM 0 HZ2 LYS A 13 -16.762 -7.124 0.546 1.00 1.97 H new ATOM 0 HZ3 LYS A 13 -15.362 -6.164 0.554 1.00 1.97 H new ATOM 157 N VAL A 14 -12.527 -7.610 -6.430 1.00 0.69 N ATOM 158 CA VAL A 14 -11.487 -8.413 -7.149 1.00 0.68 C ATOM 159 C VAL A 14 -10.530 -9.051 -6.132 1.00 0.64 C ATOM 160 O VAL A 14 -10.125 -8.425 -5.166 1.00 0.66 O ATOM 161 CB VAL A 14 -10.696 -7.505 -8.106 1.00 0.70 C ATOM 162 CG1 VAL A 14 -11.575 -7.129 -9.302 1.00 0.75 C ATOM 163 CG2 VAL A 14 -10.262 -6.226 -7.381 1.00 0.76 C ATOM 0 H VAL A 14 -12.171 -6.784 -5.949 1.00 0.69 H new ATOM 0 HA VAL A 14 -11.977 -9.199 -7.724 1.00 0.68 H new ATOM 0 HB VAL A 14 -9.812 -8.042 -8.451 1.00 0.70 H new ATOM 0 HG11 VAL A 14 -11.013 -6.486 -9.979 1.00 0.75 H new ATOM 0 HG12 VAL A 14 -11.878 -8.033 -9.829 1.00 0.75 H new ATOM 0 HG13 VAL A 14 -12.461 -6.600 -8.950 1.00 0.75 H new ATOM 0 HG21 VAL A 14 -9.703 -5.590 -8.068 1.00 0.76 H new ATOM 0 HG22 VAL A 14 -11.144 -5.691 -7.028 1.00 0.76 H new ATOM 0 HG23 VAL A 14 -9.631 -6.486 -6.531 1.00 0.76 H new ATOM 173 N THR A 15 -10.171 -10.296 -6.347 1.00 0.66 N ATOM 174 CA THR A 15 -9.239 -11.001 -5.406 1.00 0.64 C ATOM 175 C THR A 15 -7.820 -10.993 -5.985 1.00 0.58 C ATOM 176 O THR A 15 -7.631 -11.020 -7.189 1.00 0.64 O ATOM 177 CB THR A 15 -9.693 -12.458 -5.198 1.00 0.76 C ATOM 178 OG1 THR A 15 -10.451 -12.901 -6.320 1.00 1.62 O ATOM 179 CG2 THR A 15 -10.545 -12.553 -3.931 1.00 1.00 C ATOM 0 H THR A 15 -10.485 -10.857 -7.138 1.00 0.66 H new ATOM 0 HA THR A 15 -9.250 -10.482 -4.447 1.00 0.64 H new ATOM 0 HB THR A 15 -8.813 -13.093 -5.093 1.00 0.76 H new ATOM 0 HG1 THR A 15 -10.733 -13.829 -6.178 1.00 1.62 H new ATOM 0 HG21 THR A 15 -10.866 -13.584 -3.785 1.00 1.00 H new ATOM 0 HG22 THR A 15 -9.957 -12.231 -3.072 1.00 1.00 H new ATOM 0 HG23 THR A 15 -11.421 -11.912 -4.032 1.00 1.00 H new ATOM 187 N PHE A 16 -6.823 -10.958 -5.134 1.00 0.58 N ATOM 188 CA PHE A 16 -5.410 -10.950 -5.623 1.00 0.55 C ATOM 189 C PHE A 16 -4.581 -11.965 -4.828 1.00 0.55 C ATOM 190 O PHE A 16 -4.733 -12.105 -3.628 1.00 0.67 O ATOM 191 CB PHE A 16 -4.804 -9.552 -5.444 1.00 0.58 C ATOM 192 CG PHE A 16 -5.581 -8.544 -6.264 1.00 0.59 C ATOM 193 CD1 PHE A 16 -5.490 -8.558 -7.661 1.00 0.69 C ATOM 194 CD2 PHE A 16 -6.391 -7.596 -5.626 1.00 0.61 C ATOM 195 CE1 PHE A 16 -6.210 -7.627 -8.420 1.00 0.75 C ATOM 196 CE2 PHE A 16 -7.110 -6.665 -6.385 1.00 0.70 C ATOM 197 CZ PHE A 16 -7.018 -6.681 -7.782 1.00 0.74 C ATOM 0 H PHE A 16 -6.928 -10.935 -4.120 1.00 0.58 H new ATOM 0 HA PHE A 16 -5.400 -11.218 -6.680 1.00 0.55 H new ATOM 0 HB2 PHE A 16 -4.824 -9.270 -4.391 1.00 0.58 H new ATOM 0 HB3 PHE A 16 -3.759 -9.557 -5.753 1.00 0.58 H new ATOM 0 HD1 PHE A 16 -4.864 -9.287 -8.154 1.00 0.69 H new ATOM 0 HD2 PHE A 16 -6.461 -7.583 -4.548 1.00 0.61 H new ATOM 0 HE1 PHE A 16 -6.141 -7.640 -9.498 1.00 0.75 H new ATOM 0 HE2 PHE A 16 -7.735 -5.935 -5.893 1.00 0.70 H new ATOM 0 HZ PHE A 16 -7.572 -5.962 -8.367 1.00 0.74 H new ATOM 207 N LYS A 17 -3.696 -12.661 -5.497 1.00 0.55 N ATOM 208 CA LYS A 17 -2.827 -13.663 -4.809 1.00 0.57 C ATOM 209 C LYS A 17 -1.371 -13.231 -4.970 1.00 0.54 C ATOM 210 O LYS A 17 -0.774 -13.402 -6.019 1.00 0.65 O ATOM 211 CB LYS A 17 -3.026 -15.048 -5.437 1.00 0.65 C ATOM 212 CG LYS A 17 -4.248 -15.727 -4.814 1.00 0.95 C ATOM 213 CD LYS A 17 -5.339 -15.887 -5.874 1.00 1.22 C ATOM 214 CE LYS A 17 -6.513 -16.676 -5.286 1.00 1.27 C ATOM 215 NZ LYS A 17 -7.727 -16.468 -6.125 1.00 1.63 N ATOM 0 H LYS A 17 -3.537 -12.576 -6.501 1.00 0.55 H new ATOM 0 HA LYS A 17 -3.089 -13.718 -3.752 1.00 0.57 H new ATOM 0 HB2 LYS A 17 -3.161 -14.953 -6.514 1.00 0.65 H new ATOM 0 HB3 LYS A 17 -2.138 -15.660 -5.279 1.00 0.65 H new ATOM 0 HG2 LYS A 17 -3.970 -16.702 -4.413 1.00 0.95 H new ATOM 0 HG3 LYS A 17 -4.621 -15.133 -3.980 1.00 0.95 H new ATOM 0 HD2 LYS A 17 -5.678 -14.908 -6.212 1.00 1.22 H new ATOM 0 HD3 LYS A 17 -4.940 -16.405 -6.746 1.00 1.22 H new ATOM 0 HE2 LYS A 17 -6.266 -17.737 -5.243 1.00 1.27 H new ATOM 0 HE3 LYS A 17 -6.706 -16.352 -4.263 1.00 1.27 H new ATOM 0 HZ1 LYS A 17 -8.522 -17.005 -5.724 1.00 1.63 H new ATOM 0 HZ2 LYS A 17 -7.967 -15.456 -6.144 1.00 1.63 H new ATOM 0 HZ3 LYS A 17 -7.540 -16.798 -7.093 1.00 1.63 H new ATOM 229 N ILE A 18 -0.802 -12.657 -3.943 1.00 0.50 N ATOM 230 CA ILE A 18 0.612 -12.193 -4.025 1.00 0.54 C ATOM 231 C ILE A 18 1.534 -13.243 -3.395 1.00 0.51 C ATOM 232 O ILE A 18 1.359 -13.633 -2.255 1.00 0.56 O ATOM 233 CB ILE A 18 0.749 -10.855 -3.284 1.00 0.63 C ATOM 234 CG1 ILE A 18 -0.164 -9.807 -3.936 1.00 0.68 C ATOM 235 CG2 ILE A 18 2.196 -10.369 -3.358 1.00 0.86 C ATOM 236 CD1 ILE A 18 -1.447 -9.659 -3.114 1.00 0.64 C ATOM 0 H ILE A 18 -1.259 -12.489 -3.047 1.00 0.50 H new ATOM 0 HA ILE A 18 0.896 -12.055 -5.068 1.00 0.54 H new ATOM 0 HB ILE A 18 0.462 -10.996 -2.242 1.00 0.63 H new ATOM 0 HG12 ILE A 18 0.352 -8.849 -3.998 1.00 0.68 H new ATOM 0 HG13 ILE A 18 -0.406 -10.105 -4.956 1.00 0.68 H new ATOM 0 HG21 ILE A 18 2.288 -9.419 -2.831 1.00 0.86 H new ATOM 0 HG22 ILE A 18 2.852 -11.106 -2.895 1.00 0.86 H new ATOM 0 HG23 ILE A 18 2.482 -10.234 -4.401 1.00 0.86 H new ATOM 0 HD11 ILE A 18 -2.093 -8.915 -3.579 1.00 0.64 H new ATOM 0 HD12 ILE A 18 -1.966 -10.616 -3.075 1.00 0.64 H new ATOM 0 HD13 ILE A 18 -1.196 -9.340 -2.102 1.00 0.64 H new ATOM 248 N THR A 19 2.518 -13.697 -4.137 1.00 0.51 N ATOM 249 CA THR A 19 3.474 -14.716 -3.601 1.00 0.50 C ATOM 250 C THR A 19 4.896 -14.152 -3.703 1.00 0.52 C ATOM 251 O THR A 19 5.330 -13.740 -4.765 1.00 0.57 O ATOM 252 CB THR A 19 3.369 -16.017 -4.416 1.00 0.52 C ATOM 253 OG1 THR A 19 2.009 -16.430 -4.485 1.00 0.58 O ATOM 254 CG2 THR A 19 4.199 -17.112 -3.741 1.00 0.57 C ATOM 0 H THR A 19 2.699 -13.402 -5.097 1.00 0.51 H new ATOM 0 HA THR A 19 3.234 -14.938 -2.561 1.00 0.50 H new ATOM 0 HB THR A 19 3.746 -15.842 -5.424 1.00 0.52 H new ATOM 0 HG1 THR A 19 1.944 -17.258 -5.006 1.00 0.58 H new ATOM 0 HG21 THR A 19 4.124 -18.033 -4.319 1.00 0.57 H new ATOM 0 HG22 THR A 19 5.242 -16.799 -3.690 1.00 0.57 H new ATOM 0 HG23 THR A 19 3.823 -17.284 -2.733 1.00 0.57 H new ATOM 407 N LYS A 29 -0.153 -14.755 -0.097 1.00 0.53 N ATOM 408 CA LYS A 29 -1.170 -13.924 0.622 1.00 0.56 C ATOM 409 C LYS A 29 -2.352 -13.616 -0.306 1.00 0.52 C ATOM 410 O LYS A 29 -2.177 -13.313 -1.474 1.00 0.62 O ATOM 411 CB LYS A 29 -0.523 -12.611 1.075 1.00 0.66 C ATOM 412 CG LYS A 29 -0.229 -12.672 2.576 1.00 0.81 C ATOM 413 CD LYS A 29 1.226 -13.096 2.794 1.00 0.75 C ATOM 414 CE LYS A 29 1.376 -13.726 4.181 1.00 1.04 C ATOM 415 NZ LYS A 29 1.891 -15.119 4.042 1.00 1.31 N ATOM 0 HA LYS A 29 -1.533 -14.476 1.489 1.00 0.56 H new ATOM 0 HB2 LYS A 29 0.400 -12.439 0.521 1.00 0.66 H new ATOM 0 HB3 LYS A 29 -1.186 -11.774 0.858 1.00 0.66 H new ATOM 0 HG2 LYS A 29 -0.408 -11.698 3.032 1.00 0.81 H new ATOM 0 HG3 LYS A 29 -0.902 -13.379 3.061 1.00 0.81 H new ATOM 0 HD2 LYS A 29 1.527 -13.808 2.026 1.00 0.75 H new ATOM 0 HD3 LYS A 29 1.884 -12.232 2.703 1.00 0.75 H new ATOM 0 HE2 LYS A 29 2.059 -13.133 4.789 1.00 1.04 H new ATOM 0 HE3 LYS A 29 0.415 -13.732 4.695 1.00 1.04 H new ATOM 0 HZ1 LYS A 29 1.993 -15.547 4.984 1.00 1.31 H new ATOM 0 HZ2 LYS A 29 1.223 -15.681 3.477 1.00 1.31 H new ATOM 0 HZ3 LYS A 29 2.816 -15.101 3.568 1.00 1.31 H new ATOM 429 N VAL A 30 -3.556 -13.684 0.218 1.00 0.47 N ATOM 430 CA VAL A 30 -4.771 -13.390 -0.608 1.00 0.48 C ATOM 431 C VAL A 30 -5.354 -12.038 -0.176 1.00 0.44 C ATOM 432 O VAL A 30 -5.624 -11.815 0.991 1.00 0.54 O ATOM 433 CB VAL A 30 -5.819 -14.494 -0.403 1.00 0.52 C ATOM 434 CG1 VAL A 30 -7.033 -14.228 -1.302 1.00 0.63 C ATOM 435 CG2 VAL A 30 -5.209 -15.852 -0.765 1.00 0.66 C ATOM 0 H VAL A 30 -3.748 -13.932 1.188 1.00 0.47 H new ATOM 0 HA VAL A 30 -4.497 -13.353 -1.662 1.00 0.48 H new ATOM 0 HB VAL A 30 -6.134 -14.500 0.640 1.00 0.52 H new ATOM 0 HG11 VAL A 30 -7.774 -15.013 -1.154 1.00 0.63 H new ATOM 0 HG12 VAL A 30 -7.471 -13.263 -1.046 1.00 0.63 H new ATOM 0 HG13 VAL A 30 -6.718 -14.219 -2.345 1.00 0.63 H new ATOM 0 HG21 VAL A 30 -5.953 -16.635 -0.619 1.00 0.66 H new ATOM 0 HG22 VAL A 30 -4.892 -15.842 -1.808 1.00 0.66 H new ATOM 0 HG23 VAL A 30 -4.348 -16.046 -0.126 1.00 0.66 H new ATOM 445 N LEU A 31 -5.545 -11.137 -1.112 1.00 0.49 N ATOM 446 CA LEU A 31 -6.108 -9.793 -0.771 1.00 0.49 C ATOM 447 C LEU A 31 -7.450 -9.601 -1.486 1.00 0.52 C ATOM 448 O LEU A 31 -7.512 -9.529 -2.701 1.00 0.65 O ATOM 449 CB LEU A 31 -5.125 -8.701 -1.211 1.00 0.57 C ATOM 450 CG LEU A 31 -4.513 -8.030 0.023 1.00 0.58 C ATOM 451 CD1 LEU A 31 -3.008 -7.853 -0.185 1.00 0.81 C ATOM 452 CD2 LEU A 31 -5.165 -6.661 0.239 1.00 0.99 C ATOM 0 H LEU A 31 -5.334 -11.277 -2.100 1.00 0.49 H new ATOM 0 HA LEU A 31 -6.263 -9.726 0.306 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -4.339 -9.134 -1.829 1.00 0.57 H new ATOM 0 HB3 LEU A 31 -5.640 -7.960 -1.822 1.00 0.57 H new ATOM 0 HG LEU A 31 -4.687 -8.655 0.899 1.00 0.58 H new ATOM 0 HD11 LEU A 31 -2.573 -7.376 0.693 1.00 0.81 H new ATOM 0 HD12 LEU A 31 -2.544 -8.828 -0.335 1.00 0.81 H new ATOM 0 HD13 LEU A 31 -2.833 -7.229 -1.061 1.00 0.81 H new ATOM 0 HD21 LEU A 31 -4.729 -6.185 1.117 1.00 0.99 H new ATOM 0 HD22 LEU A 31 -4.994 -6.034 -0.636 1.00 0.99 H new ATOM 0 HD23 LEU A 31 -6.237 -6.788 0.390 1.00 0.99 H new ATOM 464 N SER A 32 -8.524 -9.517 -0.734 1.00 0.54 N ATOM 465 CA SER A 32 -9.873 -9.328 -1.353 1.00 0.62 C ATOM 466 C SER A 32 -10.322 -7.876 -1.147 1.00 0.64 C ATOM 467 O SER A 32 -10.605 -7.453 -0.039 1.00 0.71 O ATOM 468 CB SER A 32 -10.892 -10.276 -0.704 1.00 0.68 C ATOM 469 OG SER A 32 -10.297 -11.550 -0.488 1.00 1.55 O ATOM 0 H SER A 32 -8.522 -9.572 0.285 1.00 0.54 H new ATOM 0 HA SER A 32 -9.813 -9.551 -2.418 1.00 0.62 H new ATOM 0 HB2 SER A 32 -11.237 -9.861 0.243 1.00 0.68 H new ATOM 0 HB3 SER A 32 -11.767 -10.378 -1.345 1.00 0.68 H new ATOM 0 HG SER A 32 -10.951 -12.150 -0.072 1.00 1.55 H new ATOM 475 N VAL A 33 -10.385 -7.112 -2.211 1.00 0.63 N ATOM 476 CA VAL A 33 -10.811 -5.680 -2.100 1.00 0.68 C ATOM 477 C VAL A 33 -11.704 -5.315 -3.295 1.00 0.69 C ATOM 478 O VAL A 33 -11.653 -5.962 -4.325 1.00 0.69 O ATOM 479 CB VAL A 33 -9.575 -4.764 -2.089 1.00 0.71 C ATOM 480 CG1 VAL A 33 -8.831 -4.915 -0.761 1.00 0.81 C ATOM 481 CG2 VAL A 33 -8.637 -5.137 -3.244 1.00 0.72 C ATOM 0 H VAL A 33 -10.159 -7.420 -3.157 1.00 0.63 H new ATOM 0 HA VAL A 33 -11.367 -5.545 -1.172 1.00 0.68 H new ATOM 0 HB VAL A 33 -9.900 -3.730 -2.208 1.00 0.71 H new ATOM 0 HG11 VAL A 33 -7.956 -4.264 -0.758 1.00 0.81 H new ATOM 0 HG12 VAL A 33 -9.492 -4.638 0.060 1.00 0.81 H new ATOM 0 HG13 VAL A 33 -8.513 -5.950 -0.638 1.00 0.81 H new ATOM 0 HG21 VAL A 33 -7.764 -4.484 -3.229 1.00 0.72 H new ATOM 0 HG22 VAL A 33 -8.317 -6.173 -3.133 1.00 0.72 H new ATOM 0 HG23 VAL A 33 -9.162 -5.019 -4.192 1.00 0.72 H new ATOM 491 N PRO A 34 -12.493 -4.276 -3.124 1.00 0.73 N ATOM 492 CA PRO A 34 -13.407 -3.792 -4.177 1.00 0.76 C ATOM 493 C PRO A 34 -12.623 -3.038 -5.262 1.00 0.75 C ATOM 494 O PRO A 34 -11.502 -2.608 -5.048 1.00 0.74 O ATOM 495 CB PRO A 34 -14.361 -2.857 -3.427 1.00 0.82 C ATOM 496 CG PRO A 34 -13.625 -2.423 -2.139 1.00 0.81 C ATOM 497 CD PRO A 34 -12.544 -3.489 -1.872 1.00 0.76 C ATOM 0 HA PRO A 34 -13.933 -4.595 -4.693 1.00 0.76 H new ATOM 0 HB2 PRO A 34 -14.617 -1.992 -4.038 1.00 0.82 H new ATOM 0 HB3 PRO A 34 -15.295 -3.366 -3.188 1.00 0.82 H new ATOM 0 HG2 PRO A 34 -13.176 -1.438 -2.262 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.318 -2.355 -1.300 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -11.580 -3.032 -1.650 1.00 0.76 H new ATOM 0 HD3 PRO A 34 -12.804 -4.115 -1.018 1.00 0.76 H new ATOM 505 N GLU A 35 -13.211 -2.882 -6.425 1.00 0.78 N ATOM 506 CA GLU A 35 -12.519 -2.163 -7.544 1.00 0.79 C ATOM 507 C GLU A 35 -12.164 -0.729 -7.113 1.00 0.81 C ATOM 508 O GLU A 35 -11.200 -0.158 -7.592 1.00 0.82 O ATOM 509 CB GLU A 35 -13.439 -2.120 -8.769 1.00 0.85 C ATOM 510 CG GLU A 35 -13.345 -3.448 -9.529 1.00 0.84 C ATOM 511 CD GLU A 35 -14.450 -4.399 -9.053 1.00 0.93 C ATOM 512 OE1 GLU A 35 -15.557 -4.293 -9.558 1.00 1.14 O ATOM 513 OE2 GLU A 35 -14.170 -5.218 -8.192 1.00 0.94 O ATOM 0 H GLU A 35 -14.146 -3.224 -6.649 1.00 0.78 H new ATOM 0 HA GLU A 35 -11.601 -2.694 -7.795 1.00 0.79 H new ATOM 0 HB2 GLU A 35 -14.468 -1.940 -8.458 1.00 0.85 H new ATOM 0 HB3 GLU A 35 -13.154 -1.295 -9.422 1.00 0.85 H new ATOM 0 HG2 GLU A 35 -13.441 -3.272 -10.600 1.00 0.84 H new ATOM 0 HG3 GLU A 35 -12.367 -3.902 -9.367 1.00 0.84 H new ATOM 520 N SER A 36 -12.931 -0.151 -6.211 1.00 0.84 N ATOM 521 CA SER A 36 -12.642 1.241 -5.740 1.00 0.88 C ATOM 522 C SER A 36 -11.263 1.288 -5.064 1.00 0.82 C ATOM 523 O SER A 36 -10.511 2.228 -5.252 1.00 0.86 O ATOM 524 CB SER A 36 -13.715 1.676 -4.738 1.00 0.95 C ATOM 525 OG SER A 36 -14.636 2.546 -5.383 1.00 1.40 O ATOM 0 H SER A 36 -13.746 -0.588 -5.782 1.00 0.84 H new ATOM 0 HA SER A 36 -12.646 1.916 -6.596 1.00 0.88 H new ATOM 0 HB2 SER A 36 -14.236 0.803 -4.344 1.00 0.95 H new ATOM 0 HB3 SER A 36 -13.253 2.181 -3.890 1.00 0.95 H new ATOM 0 HG SER A 36 -15.325 2.825 -4.744 1.00 1.40 H new ATOM 531 N THR A 37 -10.929 0.280 -4.286 1.00 0.75 N ATOM 532 CA THR A 37 -9.596 0.258 -3.600 1.00 0.70 C ATOM 533 C THR A 37 -8.482 0.194 -4.659 1.00 0.67 C ATOM 534 O THR A 37 -8.479 -0.692 -5.493 1.00 0.68 O ATOM 535 CB THR A 37 -9.513 -0.970 -2.677 1.00 0.67 C ATOM 536 OG1 THR A 37 -10.389 -0.791 -1.572 1.00 0.74 O ATOM 537 CG2 THR A 37 -8.079 -1.145 -2.165 1.00 0.67 C ATOM 0 H THR A 37 -11.523 -0.527 -4.098 1.00 0.75 H new ATOM 0 HA THR A 37 -9.475 1.161 -3.002 1.00 0.70 H new ATOM 0 HB THR A 37 -9.804 -1.858 -3.238 1.00 0.67 H new ATOM 0 HG1 THR A 37 -10.224 -1.491 -0.907 1.00 0.74 H new ATOM 0 HG21 THR A 37 -8.030 -2.017 -1.512 1.00 0.67 H new ATOM 0 HG22 THR A 37 -7.405 -1.286 -3.010 1.00 0.67 H new ATOM 0 HG23 THR A 37 -7.781 -0.257 -1.608 1.00 0.67 H new ATOM 545 N PRO A 38 -7.575 1.144 -4.598 1.00 0.68 N ATOM 546 CA PRO A 38 -6.446 1.234 -5.547 1.00 0.68 C ATOM 547 C PRO A 38 -5.338 0.225 -5.202 1.00 0.58 C ATOM 548 O PRO A 38 -5.282 -0.313 -4.104 1.00 0.56 O ATOM 549 CB PRO A 38 -5.945 2.671 -5.373 1.00 0.76 C ATOM 550 CG PRO A 38 -6.416 3.132 -3.973 1.00 0.79 C ATOM 551 CD PRO A 38 -7.590 2.217 -3.579 1.00 0.74 C ATOM 0 HA PRO A 38 -6.742 1.003 -6.570 1.00 0.68 H new ATOM 0 HB2 PRO A 38 -4.859 2.716 -5.451 1.00 0.76 H new ATOM 0 HB3 PRO A 38 -6.348 3.319 -6.151 1.00 0.76 H new ATOM 0 HG2 PRO A 38 -5.606 3.057 -3.248 1.00 0.79 H new ATOM 0 HG3 PRO A 38 -6.729 4.176 -3.994 1.00 0.79 H new ATOM 0 HD2 PRO A 38 -7.460 1.814 -2.575 1.00 0.74 H new ATOM 0 HD3 PRO A 38 -8.536 2.759 -3.585 1.00 0.74 H new ATOM 559 N PHE A 39 -4.447 -0.018 -6.138 1.00 0.56 N ATOM 560 CA PHE A 39 -3.325 -0.973 -5.889 1.00 0.49 C ATOM 561 C PHE A 39 -2.393 -0.413 -4.804 1.00 0.45 C ATOM 562 O PHE A 39 -1.612 -1.142 -4.227 1.00 0.42 O ATOM 563 CB PHE A 39 -2.534 -1.200 -7.183 1.00 0.50 C ATOM 564 CG PHE A 39 -1.857 -2.552 -7.129 1.00 0.46 C ATOM 565 CD1 PHE A 39 -2.627 -3.721 -7.055 1.00 0.52 C ATOM 566 CD2 PHE A 39 -0.459 -2.639 -7.153 1.00 0.53 C ATOM 567 CE1 PHE A 39 -2.000 -4.971 -7.006 1.00 0.53 C ATOM 568 CE2 PHE A 39 0.167 -3.889 -7.104 1.00 0.56 C ATOM 569 CZ PHE A 39 -0.603 -5.055 -7.030 1.00 0.50 C ATOM 0 H PHE A 39 -4.452 0.407 -7.065 1.00 0.56 H new ATOM 0 HA PHE A 39 -3.738 -1.924 -5.551 1.00 0.49 H new ATOM 0 HB2 PHE A 39 -3.201 -1.149 -8.043 1.00 0.50 H new ATOM 0 HB3 PHE A 39 -1.790 -0.414 -7.310 1.00 0.50 H new ATOM 0 HD1 PHE A 39 -3.705 -3.657 -7.036 1.00 0.52 H new ATOM 0 HD2 PHE A 39 0.136 -1.740 -7.209 1.00 0.53 H new ATOM 0 HE1 PHE A 39 -2.594 -5.871 -6.950 1.00 0.53 H new ATOM 0 HE2 PHE A 39 1.245 -3.954 -7.123 1.00 0.56 H new ATOM 0 HZ PHE A 39 -0.119 -6.020 -6.991 1.00 0.50 H new ATOM 579 N THR A 40 -2.479 0.870 -4.509 1.00 0.50 N ATOM 580 CA THR A 40 -1.611 1.462 -3.443 1.00 0.50 C ATOM 581 C THR A 40 -1.916 0.754 -2.116 1.00 0.47 C ATOM 582 O THR A 40 -1.019 0.345 -1.402 1.00 0.47 O ATOM 583 CB THR A 40 -1.901 2.965 -3.302 1.00 0.59 C ATOM 584 OG1 THR A 40 -3.303 3.179 -3.194 1.00 0.64 O ATOM 585 CG2 THR A 40 -1.364 3.712 -4.523 1.00 0.70 C ATOM 0 H THR A 40 -3.113 1.527 -4.963 1.00 0.50 H new ATOM 0 HA THR A 40 -0.562 1.331 -3.708 1.00 0.50 H new ATOM 0 HB THR A 40 -1.409 3.339 -2.404 1.00 0.59 H new ATOM 0 HG1 THR A 40 -3.481 4.138 -3.103 1.00 0.64 H new ATOM 0 HG21 THR A 40 -1.572 4.777 -4.419 1.00 0.70 H new ATOM 0 HG22 THR A 40 -0.288 3.558 -4.599 1.00 0.70 H new ATOM 0 HG23 THR A 40 -1.849 3.334 -5.423 1.00 0.70 H new ATOM 593 N ALA A 41 -3.184 0.596 -1.800 1.00 0.49 N ATOM 594 CA ALA A 41 -3.575 -0.098 -0.535 1.00 0.47 C ATOM 595 C ALA A 41 -3.352 -1.607 -0.692 1.00 0.41 C ATOM 596 O ALA A 41 -2.914 -2.271 0.229 1.00 0.39 O ATOM 597 CB ALA A 41 -5.052 0.172 -0.239 1.00 0.56 C ATOM 0 H ALA A 41 -3.965 0.921 -2.370 1.00 0.49 H new ATOM 0 HA ALA A 41 -2.967 0.276 0.288 1.00 0.47 H new ATOM 0 HB1 ALA A 41 -5.337 -0.334 0.683 1.00 0.56 H new ATOM 0 HB2 ALA A 41 -5.211 1.245 -0.128 1.00 0.56 H new ATOM 0 HB3 ALA A 41 -5.662 -0.202 -1.061 1.00 0.56 H new ATOM 603 N VAL A 42 -3.647 -2.149 -1.858 1.00 0.41 N ATOM 604 CA VAL A 42 -3.447 -3.620 -2.085 1.00 0.38 C ATOM 605 C VAL A 42 -1.961 -3.966 -1.893 1.00 0.32 C ATOM 606 O VAL A 42 -1.623 -4.924 -1.220 1.00 0.35 O ATOM 607 CB VAL A 42 -3.883 -3.986 -3.512 1.00 0.46 C ATOM 608 CG1 VAL A 42 -3.684 -5.489 -3.750 1.00 0.52 C ATOM 609 CG2 VAL A 42 -5.364 -3.638 -3.702 1.00 0.57 C ATOM 0 H VAL A 42 -4.016 -1.636 -2.658 1.00 0.41 H new ATOM 0 HA VAL A 42 -4.047 -4.184 -1.371 1.00 0.38 H new ATOM 0 HB VAL A 42 -3.278 -3.423 -4.223 1.00 0.46 H new ATOM 0 HG11 VAL A 42 -3.995 -5.741 -4.764 1.00 0.52 H new ATOM 0 HG12 VAL A 42 -2.632 -5.742 -3.620 1.00 0.52 H new ATOM 0 HG13 VAL A 42 -4.284 -6.053 -3.036 1.00 0.52 H new ATOM 0 HG21 VAL A 42 -5.672 -3.898 -4.715 1.00 0.57 H new ATOM 0 HG22 VAL A 42 -5.964 -4.198 -2.985 1.00 0.57 H new ATOM 0 HG23 VAL A 42 -5.510 -2.570 -3.541 1.00 0.57 H new ATOM 619 N LEU A 43 -1.078 -3.187 -2.477 1.00 0.31 N ATOM 620 CA LEU A 43 0.391 -3.443 -2.341 1.00 0.31 C ATOM 621 C LEU A 43 0.825 -3.201 -0.889 1.00 0.31 C ATOM 622 O LEU A 43 1.647 -3.924 -0.356 1.00 0.36 O ATOM 623 CB LEU A 43 1.159 -2.493 -3.270 1.00 0.36 C ATOM 624 CG LEU A 43 2.615 -2.957 -3.398 1.00 0.46 C ATOM 625 CD1 LEU A 43 3.026 -2.963 -4.872 1.00 0.55 C ATOM 626 CD2 LEU A 43 3.525 -2.002 -2.619 1.00 0.64 C ATOM 0 H LEU A 43 -1.317 -2.376 -3.048 1.00 0.31 H new ATOM 0 HA LEU A 43 0.607 -4.476 -2.614 1.00 0.31 H new ATOM 0 HB2 LEU A 43 0.687 -2.470 -4.252 1.00 0.36 H new ATOM 0 HB3 LEU A 43 1.125 -1.477 -2.876 1.00 0.36 H new ATOM 0 HG LEU A 43 2.710 -3.964 -2.992 1.00 0.46 H new ATOM 0 HD11 LEU A 43 4.061 -3.293 -4.960 1.00 0.55 H new ATOM 0 HD12 LEU A 43 2.380 -3.643 -5.427 1.00 0.55 H new ATOM 0 HD13 LEU A 43 2.930 -1.957 -5.281 1.00 0.55 H new ATOM 0 HD21 LEU A 43 4.560 -2.331 -2.709 1.00 0.64 H new ATOM 0 HD22 LEU A 43 3.428 -0.995 -3.024 1.00 0.64 H new ATOM 0 HD23 LEU A 43 3.235 -2.000 -1.568 1.00 0.64 H new ATOM 638 N LYS A 44 0.275 -2.191 -0.251 1.00 0.34 N ATOM 639 CA LYS A 44 0.643 -1.892 1.168 1.00 0.39 C ATOM 640 C LYS A 44 0.300 -3.098 2.055 1.00 0.39 C ATOM 641 O LYS A 44 1.084 -3.496 2.895 1.00 0.46 O ATOM 642 CB LYS A 44 -0.140 -0.665 1.653 1.00 0.47 C ATOM 643 CG LYS A 44 0.832 0.454 2.043 1.00 0.51 C ATOM 644 CD LYS A 44 0.498 1.727 1.256 1.00 0.71 C ATOM 645 CE LYS A 44 1.465 1.872 0.076 1.00 1.12 C ATOM 646 NZ LYS A 44 0.812 2.646 -1.022 1.00 1.57 N ATOM 0 H LYS A 44 -0.416 -1.560 -0.657 1.00 0.34 H new ATOM 0 HA LYS A 44 1.712 -1.690 1.228 1.00 0.39 H new ATOM 0 HB2 LYS A 44 -0.812 -0.318 0.868 1.00 0.47 H new ATOM 0 HB3 LYS A 44 -0.761 -0.934 2.508 1.00 0.47 H new ATOM 0 HG2 LYS A 44 0.766 0.649 3.113 1.00 0.51 H new ATOM 0 HG3 LYS A 44 1.857 0.146 1.837 1.00 0.51 H new ATOM 0 HD2 LYS A 44 -0.529 1.684 0.894 1.00 0.71 H new ATOM 0 HD3 LYS A 44 0.570 2.598 1.907 1.00 0.71 H new ATOM 0 HE2 LYS A 44 2.374 2.379 0.399 1.00 1.12 H new ATOM 0 HE3 LYS A 44 1.761 0.888 -0.287 1.00 1.12 H new ATOM 0 HZ1 LYS A 44 1.540 3.129 -1.586 1.00 1.57 H new ATOM 0 HZ2 LYS A 44 0.275 1.997 -1.632 1.00 1.57 H new ATOM 0 HZ3 LYS A 44 0.166 3.351 -0.613 1.00 1.57 H new ATOM 660 N PHE A 45 -0.865 -3.676 1.868 1.00 0.37 N ATOM 661 CA PHE A 45 -1.275 -4.857 2.692 1.00 0.40 C ATOM 662 C PHE A 45 -0.469 -6.094 2.276 1.00 0.35 C ATOM 663 O PHE A 45 -0.052 -6.872 3.111 1.00 0.42 O ATOM 664 CB PHE A 45 -2.770 -5.128 2.487 1.00 0.47 C ATOM 665 CG PHE A 45 -3.562 -4.421 3.563 1.00 0.88 C ATOM 666 CD1 PHE A 45 -3.610 -4.949 4.861 1.00 1.29 C ATOM 667 CD2 PHE A 45 -4.247 -3.237 3.265 1.00 1.36 C ATOM 668 CE1 PHE A 45 -4.343 -4.293 5.856 1.00 1.77 C ATOM 669 CE2 PHE A 45 -4.979 -2.581 4.262 1.00 1.82 C ATOM 670 CZ PHE A 45 -5.027 -3.108 5.557 1.00 1.93 C ATOM 0 H PHE A 45 -1.552 -3.377 1.176 1.00 0.37 H new ATOM 0 HA PHE A 45 -1.082 -4.643 3.743 1.00 0.40 H new ATOM 0 HB2 PHE A 45 -3.082 -4.780 1.502 1.00 0.47 H new ATOM 0 HB3 PHE A 45 -2.964 -6.200 2.522 1.00 0.47 H new ATOM 0 HD1 PHE A 45 -3.081 -5.862 5.093 1.00 1.29 H new ATOM 0 HD2 PHE A 45 -4.211 -2.829 2.266 1.00 1.36 H new ATOM 0 HE1 PHE A 45 -4.381 -4.701 6.855 1.00 1.77 H new ATOM 0 HE2 PHE A 45 -5.507 -1.668 4.031 1.00 1.82 H new ATOM 0 HZ PHE A 45 -5.591 -2.601 6.326 1.00 1.93 H new ATOM 680 N ALA A 46 -0.252 -6.281 0.992 1.00 0.31 N ATOM 681 CA ALA A 46 0.525 -7.468 0.510 1.00 0.32 C ATOM 682 C ALA A 46 1.954 -7.424 1.073 1.00 0.33 C ATOM 683 O ALA A 46 2.440 -8.398 1.619 1.00 0.38 O ATOM 684 CB ALA A 46 0.576 -7.456 -1.022 1.00 0.36 C ATOM 0 H ALA A 46 -0.582 -5.658 0.255 1.00 0.31 H new ATOM 0 HA ALA A 46 0.036 -8.380 0.853 1.00 0.32 H new ATOM 0 HB1 ALA A 46 1.141 -8.319 -1.374 1.00 0.36 H new ATOM 0 HB2 ALA A 46 -0.438 -7.499 -1.420 1.00 0.36 H new ATOM 0 HB3 ALA A 46 1.061 -6.541 -1.363 1.00 0.36 H new ATOM 690 N ALA A 47 2.625 -6.300 0.945 1.00 0.34 N ATOM 691 CA ALA A 47 4.025 -6.176 1.469 1.00 0.43 C ATOM 692 C ALA A 47 4.024 -6.290 3.001 1.00 0.45 C ATOM 693 O ALA A 47 4.881 -6.931 3.581 1.00 0.52 O ATOM 694 CB ALA A 47 4.601 -4.818 1.059 1.00 0.52 C ATOM 0 H ALA A 47 2.260 -5.459 0.497 1.00 0.34 H new ATOM 0 HA ALA A 47 4.636 -6.976 1.052 1.00 0.43 H new ATOM 0 HB1 ALA A 47 5.619 -4.725 1.438 1.00 0.52 H new ATOM 0 HB2 ALA A 47 4.611 -4.740 -0.028 1.00 0.52 H new ATOM 0 HB3 ALA A 47 3.984 -4.021 1.474 1.00 0.52 H new ATOM 700 N GLU A 48 3.064 -5.670 3.655 1.00 0.44 N ATOM 701 CA GLU A 48 2.990 -5.732 5.150 1.00 0.52 C ATOM 702 C GLU A 48 2.662 -7.163 5.594 1.00 0.50 C ATOM 703 O GLU A 48 3.202 -7.655 6.569 1.00 0.60 O ATOM 704 CB GLU A 48 1.885 -4.789 5.647 1.00 0.56 C ATOM 705 CG GLU A 48 2.509 -3.553 6.302 1.00 1.25 C ATOM 706 CD GLU A 48 2.965 -3.898 7.723 1.00 2.15 C ATOM 707 OE1 GLU A 48 2.170 -3.741 8.636 1.00 2.39 O ATOM 708 OE2 GLU A 48 4.105 -4.309 7.874 1.00 2.89 O ATOM 0 H GLU A 48 2.326 -5.122 3.212 1.00 0.44 H new ATOM 0 HA GLU A 48 3.951 -5.431 5.568 1.00 0.52 H new ATOM 0 HB2 GLU A 48 1.250 -4.488 4.814 1.00 0.56 H new ATOM 0 HB3 GLU A 48 1.247 -5.308 6.363 1.00 0.56 H new ATOM 0 HG2 GLU A 48 3.357 -3.205 5.712 1.00 1.25 H new ATOM 0 HG3 GLU A 48 1.785 -2.739 6.329 1.00 1.25 H new ATOM 715 N GLU A 49 1.774 -7.827 4.887 1.00 0.43 N ATOM 716 CA GLU A 49 1.386 -9.225 5.255 1.00 0.48 C ATOM 717 C GLU A 49 2.587 -10.170 5.116 1.00 0.46 C ATOM 718 O GLU A 49 2.718 -11.120 5.868 1.00 0.53 O ATOM 719 CB GLU A 49 0.265 -9.707 4.329 1.00 0.49 C ATOM 720 CG GLU A 49 -1.096 -9.289 4.897 1.00 0.65 C ATOM 721 CD GLU A 49 -2.182 -9.490 3.832 1.00 0.67 C ATOM 722 OE1 GLU A 49 -2.684 -10.597 3.724 1.00 1.04 O ATOM 723 OE2 GLU A 49 -2.494 -8.531 3.143 1.00 0.82 O ATOM 0 H GLU A 49 1.299 -7.455 4.065 1.00 0.43 H new ATOM 0 HA GLU A 49 1.045 -9.229 6.290 1.00 0.48 H new ATOM 0 HB2 GLU A 49 0.398 -9.286 3.333 1.00 0.49 H new ATOM 0 HB3 GLU A 49 0.308 -10.791 4.225 1.00 0.49 H new ATOM 0 HG2 GLU A 49 -1.328 -9.879 5.783 1.00 0.65 H new ATOM 0 HG3 GLU A 49 -1.066 -8.245 5.208 1.00 0.65 H new ATOM 730 N PHE A 50 3.463 -9.927 4.164 1.00 0.42 N ATOM 731 CA PHE A 50 4.643 -10.821 3.985 1.00 0.48 C ATOM 732 C PHE A 50 5.729 -10.438 4.995 1.00 0.56 C ATOM 733 O PHE A 50 5.838 -11.044 6.045 1.00 0.62 O ATOM 734 CB PHE A 50 5.182 -10.687 2.554 1.00 0.49 C ATOM 735 CG PHE A 50 4.624 -11.805 1.699 1.00 0.51 C ATOM 736 CD1 PHE A 50 4.998 -13.132 1.947 1.00 0.62 C ATOM 737 CD2 PHE A 50 3.729 -11.513 0.663 1.00 0.57 C ATOM 738 CE1 PHE A 50 4.479 -14.166 1.160 1.00 0.70 C ATOM 739 CE2 PHE A 50 3.208 -12.547 -0.123 1.00 0.67 C ATOM 740 CZ PHE A 50 3.582 -13.873 0.126 1.00 0.70 C ATOM 0 H PHE A 50 3.406 -9.148 3.508 1.00 0.42 H new ATOM 0 HA PHE A 50 4.346 -11.856 4.154 1.00 0.48 H new ATOM 0 HB2 PHE A 50 4.900 -9.720 2.137 1.00 0.49 H new ATOM 0 HB3 PHE A 50 6.271 -10.727 2.559 1.00 0.49 H new ATOM 0 HD1 PHE A 50 5.688 -13.357 2.747 1.00 0.62 H new ATOM 0 HD2 PHE A 50 3.441 -10.490 0.470 1.00 0.57 H new ATOM 0 HE1 PHE A 50 4.770 -15.189 1.350 1.00 0.70 H new ATOM 0 HE2 PHE A 50 2.517 -12.322 -0.922 1.00 0.67 H new ATOM 0 HZ PHE A 50 3.178 -14.670 -0.480 1.00 0.70 H new ATOM 750 N LYS A 51 6.527 -9.438 4.685 1.00 0.59 N ATOM 751 CA LYS A 51 7.617 -9.005 5.623 1.00 0.69 C ATOM 752 C LYS A 51 8.473 -7.904 4.968 1.00 0.70 C ATOM 753 O LYS A 51 9.679 -7.856 5.147 1.00 0.81 O ATOM 754 CB LYS A 51 8.509 -10.214 5.955 1.00 0.78 C ATOM 755 CG LYS A 51 8.274 -10.655 7.403 1.00 0.87 C ATOM 756 CD LYS A 51 9.608 -10.680 8.149 1.00 1.71 C ATOM 757 CE LYS A 51 9.493 -9.854 9.431 1.00 2.55 C ATOM 758 NZ LYS A 51 10.270 -8.590 9.281 1.00 3.21 N ATOM 0 H LYS A 51 6.469 -8.902 3.819 1.00 0.59 H new ATOM 0 HA LYS A 51 7.169 -8.612 6.535 1.00 0.69 H new ATOM 0 HB2 LYS A 51 8.289 -11.037 5.275 1.00 0.78 H new ATOM 0 HB3 LYS A 51 9.558 -9.954 5.811 1.00 0.78 H new ATOM 0 HG2 LYS A 51 7.582 -9.971 7.895 1.00 0.87 H new ATOM 0 HG3 LYS A 51 7.815 -11.643 7.424 1.00 0.87 H new ATOM 0 HD2 LYS A 51 9.883 -11.707 8.389 1.00 1.71 H new ATOM 0 HD3 LYS A 51 10.399 -10.278 7.515 1.00 1.71 H new ATOM 0 HE2 LYS A 51 8.447 -9.628 9.638 1.00 2.55 H new ATOM 0 HE3 LYS A 51 9.869 -10.426 10.279 1.00 2.55 H new ATOM 0 HZ1 LYS A 51 10.191 -8.029 10.153 1.00 3.21 H new ATOM 0 HZ2 LYS A 51 11.270 -8.816 9.103 1.00 3.21 H new ATOM 0 HZ3 LYS A 51 9.892 -8.043 8.482 1.00 3.21 H new ATOM 772 N VAL A 52 7.863 -7.016 4.213 1.00 0.61 N ATOM 773 CA VAL A 52 8.643 -5.921 3.549 1.00 0.63 C ATOM 774 C VAL A 52 7.831 -4.616 3.562 1.00 0.59 C ATOM 775 O VAL A 52 6.614 -4.643 3.625 1.00 0.57 O ATOM 776 CB VAL A 52 8.959 -6.305 2.094 1.00 0.64 C ATOM 777 CG1 VAL A 52 10.016 -7.412 2.066 1.00 0.79 C ATOM 778 CG2 VAL A 52 7.686 -6.796 1.393 1.00 0.61 C ATOM 0 H VAL A 52 6.860 -7.003 4.029 1.00 0.61 H new ATOM 0 HA VAL A 52 9.575 -5.776 4.096 1.00 0.63 H new ATOM 0 HB VAL A 52 9.341 -5.427 1.573 1.00 0.64 H new ATOM 0 HG11 VAL A 52 10.235 -7.680 1.032 1.00 0.79 H new ATOM 0 HG12 VAL A 52 10.926 -7.058 2.550 1.00 0.79 H new ATOM 0 HG13 VAL A 52 9.640 -8.288 2.595 1.00 0.79 H new ATOM 0 HG21 VAL A 52 7.919 -7.066 0.363 1.00 0.61 H new ATOM 0 HG22 VAL A 52 7.295 -7.668 1.917 1.00 0.61 H new ATOM 0 HG23 VAL A 52 6.938 -6.003 1.400 1.00 0.61 H new ATOM 788 N PRO A 53 8.536 -3.506 3.495 1.00 0.62 N ATOM 789 CA PRO A 53 7.917 -2.166 3.488 1.00 0.63 C ATOM 790 C PRO A 53 7.339 -1.850 2.104 1.00 0.55 C ATOM 791 O PRO A 53 8.014 -1.966 1.096 1.00 0.57 O ATOM 792 CB PRO A 53 9.078 -1.230 3.832 1.00 0.72 C ATOM 793 CG PRO A 53 10.375 -1.987 3.460 1.00 0.76 C ATOM 794 CD PRO A 53 10.014 -3.485 3.419 1.00 0.71 C ATOM 0 HA PRO A 53 7.086 -2.073 4.187 1.00 0.63 H new ATOM 0 HB2 PRO A 53 9.001 -0.295 3.276 1.00 0.72 H new ATOM 0 HB3 PRO A 53 9.069 -0.973 4.891 1.00 0.72 H new ATOM 0 HG2 PRO A 53 10.755 -1.653 2.494 1.00 0.76 H new ATOM 0 HG3 PRO A 53 11.158 -1.797 4.194 1.00 0.76 H new ATOM 0 HD2 PRO A 53 10.372 -3.956 2.503 1.00 0.71 H new ATOM 0 HD3 PRO A 53 10.463 -4.026 4.252 1.00 0.71 H new ATOM 802 N ALA A 54 6.089 -1.454 2.056 1.00 0.52 N ATOM 803 CA ALA A 54 5.436 -1.127 0.748 1.00 0.48 C ATOM 804 C ALA A 54 6.057 0.141 0.142 1.00 0.53 C ATOM 805 O ALA A 54 6.068 0.312 -1.065 1.00 0.57 O ATOM 806 CB ALA A 54 3.939 -0.899 0.971 1.00 0.56 C ATOM 0 H ALA A 54 5.489 -1.343 2.873 1.00 0.52 H new ATOM 0 HA ALA A 54 5.588 -1.959 0.061 1.00 0.48 H new ATOM 0 HB1 ALA A 54 3.462 -0.661 0.020 1.00 0.56 H new ATOM 0 HB2 ALA A 54 3.491 -1.802 1.386 1.00 0.56 H new ATOM 0 HB3 ALA A 54 3.797 -0.071 1.666 1.00 0.56 H new ATOM 812 N ALA A 55 6.569 1.029 0.969 1.00 0.59 N ATOM 813 CA ALA A 55 7.190 2.291 0.451 1.00 0.67 C ATOM 814 C ALA A 55 8.322 1.960 -0.533 1.00 0.65 C ATOM 815 O ALA A 55 8.501 2.640 -1.527 1.00 0.73 O ATOM 816 CB ALA A 55 7.757 3.100 1.624 1.00 0.76 C ATOM 0 H ALA A 55 6.582 0.931 1.984 1.00 0.59 H new ATOM 0 HA ALA A 55 6.428 2.874 -0.066 1.00 0.67 H new ATOM 0 HB1 ALA A 55 8.209 4.018 1.248 1.00 0.76 H new ATOM 0 HB2 ALA A 55 6.953 3.348 2.317 1.00 0.76 H new ATOM 0 HB3 ALA A 55 8.513 2.509 2.142 1.00 0.76 H new ATOM 822 N THR A 56 9.085 0.923 -0.263 1.00 0.62 N ATOM 823 CA THR A 56 10.206 0.544 -1.179 1.00 0.68 C ATOM 824 C THR A 56 9.995 -0.893 -1.689 1.00 0.62 C ATOM 825 O THR A 56 10.904 -1.706 -1.681 1.00 0.69 O ATOM 826 CB THR A 56 11.543 0.647 -0.426 1.00 0.81 C ATOM 827 OG1 THR A 56 11.452 -0.047 0.814 1.00 0.81 O ATOM 828 CG2 THR A 56 11.875 2.119 -0.165 1.00 0.95 C ATOM 0 H THR A 56 8.977 0.323 0.555 1.00 0.62 H new ATOM 0 HA THR A 56 10.225 1.223 -2.032 1.00 0.68 H new ATOM 0 HB THR A 56 12.331 0.200 -1.032 1.00 0.81 H new ATOM 0 HG1 THR A 56 12.306 0.020 1.290 1.00 0.81 H new ATOM 0 HG21 THR A 56 12.823 2.189 0.369 1.00 0.95 H new ATOM 0 HG22 THR A 56 11.953 2.648 -1.115 1.00 0.95 H new ATOM 0 HG23 THR A 56 11.086 2.569 0.437 1.00 0.95 H new ATOM 836 N SER A 57 8.800 -1.206 -2.139 1.00 0.53 N ATOM 837 CA SER A 57 8.521 -2.583 -2.655 1.00 0.50 C ATOM 838 C SER A 57 7.555 -2.513 -3.843 1.00 0.43 C ATOM 839 O SER A 57 6.814 -1.558 -4.003 1.00 0.52 O ATOM 840 CB SER A 57 7.892 -3.430 -1.547 1.00 0.51 C ATOM 841 OG SER A 57 8.914 -4.132 -0.851 1.00 0.88 O ATOM 0 H SER A 57 8.007 -0.565 -2.170 1.00 0.53 H new ATOM 0 HA SER A 57 9.459 -3.035 -2.977 1.00 0.50 H new ATOM 0 HB2 SER A 57 7.339 -2.793 -0.857 1.00 0.51 H new ATOM 0 HB3 SER A 57 7.178 -4.134 -1.974 1.00 0.51 H new ATOM 0 HG SER A 57 9.040 -3.732 0.035 1.00 0.88 H new ATOM 847 N ALA A 58 7.564 -3.527 -4.673 1.00 0.43 N ATOM 848 CA ALA A 58 6.656 -3.556 -5.860 1.00 0.38 C ATOM 849 C ALA A 58 6.043 -4.954 -6.007 1.00 0.36 C ATOM 850 O ALA A 58 6.440 -5.892 -5.335 1.00 0.44 O ATOM 851 CB ALA A 58 7.457 -3.218 -7.121 1.00 0.45 C ATOM 0 H ALA A 58 8.168 -4.343 -4.577 1.00 0.43 H new ATOM 0 HA ALA A 58 5.860 -2.824 -5.724 1.00 0.38 H new ATOM 0 HB1 ALA A 58 6.797 -3.239 -7.988 1.00 0.45 H new ATOM 0 HB2 ALA A 58 7.892 -2.224 -7.020 1.00 0.45 H new ATOM 0 HB3 ALA A 58 8.253 -3.951 -7.254 1.00 0.45 H new ATOM 857 N ILE A 59 5.083 -5.102 -6.887 1.00 0.32 N ATOM 858 CA ILE A 59 4.446 -6.436 -7.092 1.00 0.33 C ATOM 859 C ILE A 59 4.484 -6.781 -8.583 1.00 0.35 C ATOM 860 O ILE A 59 3.911 -6.087 -9.401 1.00 0.38 O ATOM 861 CB ILE A 59 2.992 -6.395 -6.586 1.00 0.33 C ATOM 862 CG1 ILE A 59 2.980 -6.628 -5.071 1.00 0.39 C ATOM 863 CG2 ILE A 59 2.159 -7.484 -7.276 1.00 0.40 C ATOM 864 CD1 ILE A 59 1.593 -6.307 -4.506 1.00 0.45 C ATOM 0 H ILE A 59 4.714 -4.353 -7.473 1.00 0.32 H new ATOM 0 HA ILE A 59 4.987 -7.200 -6.534 1.00 0.33 H new ATOM 0 HB ILE A 59 2.560 -5.421 -6.817 1.00 0.33 H new ATOM 0 HG12 ILE A 59 3.241 -7.663 -4.851 1.00 0.39 H new ATOM 0 HG13 ILE A 59 3.732 -6.001 -4.592 1.00 0.39 H new ATOM 0 HG21 ILE A 59 1.133 -7.444 -6.910 1.00 0.40 H new ATOM 0 HG22 ILE A 59 2.166 -7.319 -8.353 1.00 0.40 H new ATOM 0 HG23 ILE A 59 2.585 -8.463 -7.056 1.00 0.40 H new ATOM 0 HD11 ILE A 59 1.591 -6.475 -3.429 1.00 0.45 H new ATOM 0 HD12 ILE A 59 1.349 -5.265 -4.711 1.00 0.45 H new ATOM 0 HD13 ILE A 59 0.851 -6.953 -4.975 1.00 0.45 H new ATOM 876 N ILE A 60 5.152 -7.849 -8.941 1.00 0.41 N ATOM 877 CA ILE A 60 5.224 -8.243 -10.383 1.00 0.45 C ATOM 878 C ILE A 60 4.170 -9.321 -10.670 1.00 0.52 C ATOM 879 O ILE A 60 3.519 -9.819 -9.771 1.00 0.56 O ATOM 880 CB ILE A 60 6.624 -8.786 -10.718 1.00 0.52 C ATOM 881 CG1 ILE A 60 6.954 -9.986 -9.820 1.00 0.60 C ATOM 882 CG2 ILE A 60 7.669 -7.689 -10.504 1.00 0.52 C ATOM 883 CD1 ILE A 60 7.426 -11.158 -10.683 1.00 0.79 C ATOM 0 H ILE A 60 5.650 -8.465 -8.299 1.00 0.41 H new ATOM 0 HA ILE A 60 5.030 -7.367 -11.001 1.00 0.45 H new ATOM 0 HB ILE A 60 6.637 -9.104 -11.760 1.00 0.52 H new ATOM 0 HG12 ILE A 60 7.728 -9.714 -9.103 1.00 0.60 H new ATOM 0 HG13 ILE A 60 6.074 -10.276 -9.245 1.00 0.60 H new ATOM 0 HG21 ILE A 60 8.659 -8.078 -10.742 1.00 0.52 H new ATOM 0 HG22 ILE A 60 7.446 -6.842 -11.153 1.00 0.52 H new ATOM 0 HG23 ILE A 60 7.648 -7.364 -9.464 1.00 0.52 H new ATOM 0 HD11 ILE A 60 7.660 -12.009 -10.044 1.00 0.79 H new ATOM 0 HD12 ILE A 60 6.638 -11.435 -11.383 1.00 0.79 H new ATOM 0 HD13 ILE A 60 8.317 -10.865 -11.238 1.00 0.79 H new ATOM 895 N THR A 61 3.995 -9.676 -11.917 1.00 0.58 N ATOM 896 CA THR A 61 2.982 -10.717 -12.278 1.00 0.66 C ATOM 897 C THR A 61 3.697 -12.043 -12.567 1.00 0.74 C ATOM 898 O THR A 61 4.861 -12.064 -12.935 1.00 0.78 O ATOM 899 CB THR A 61 2.199 -10.266 -13.522 1.00 0.71 C ATOM 900 OG1 THR A 61 1.787 -8.914 -13.360 1.00 0.70 O ATOM 901 CG2 THR A 61 0.963 -11.150 -13.709 1.00 0.79 C ATOM 0 H THR A 61 4.512 -9.288 -12.706 1.00 0.58 H new ATOM 0 HA THR A 61 2.287 -10.853 -11.449 1.00 0.66 H new ATOM 0 HB THR A 61 2.842 -10.353 -14.398 1.00 0.71 H new ATOM 0 HG1 THR A 61 1.069 -8.712 -13.996 1.00 0.70 H new ATOM 0 HG21 THR A 61 0.413 -10.825 -14.592 1.00 0.79 H new ATOM 0 HG22 THR A 61 1.273 -12.187 -13.836 1.00 0.79 H new ATOM 0 HG23 THR A 61 0.321 -11.068 -12.832 1.00 0.79 H new ATOM 909 N ASN A 62 3.006 -13.149 -12.398 1.00 0.79 N ATOM 910 CA ASN A 62 3.626 -14.489 -12.657 1.00 0.89 C ATOM 911 C ASN A 62 4.175 -14.563 -14.093 1.00 0.98 C ATOM 912 O ASN A 62 5.082 -15.327 -14.370 1.00 1.06 O ATOM 913 CB ASN A 62 2.574 -15.584 -12.453 1.00 0.97 C ATOM 914 CG ASN A 62 2.415 -15.857 -10.955 1.00 0.87 C ATOM 915 OD1 ASN A 62 1.513 -15.344 -10.323 1.00 0.91 O ATOM 916 ND2 ASN A 62 3.261 -16.650 -10.353 1.00 1.03 N ATOM 0 H ASN A 62 2.034 -13.179 -12.090 1.00 0.79 H new ATOM 0 HA ASN A 62 4.452 -14.635 -11.961 1.00 0.89 H new ATOM 0 HB2 ASN A 62 1.621 -15.274 -12.881 1.00 0.97 H new ATOM 0 HB3 ASN A 62 2.875 -16.495 -12.971 1.00 0.97 H new ATOM 0 HD21 ASN A 62 3.163 -16.837 -9.355 1.00 1.03 H new ATOM 0 HD22 ASN A 62 4.019 -17.082 -10.881 1.00 1.03 H new ATOM 923 N ASP A 63 3.643 -13.772 -15.002 1.00 0.99 N ATOM 924 CA ASP A 63 4.145 -13.792 -16.410 1.00 1.10 C ATOM 925 C ASP A 63 5.444 -12.978 -16.500 1.00 1.07 C ATOM 926 O ASP A 63 6.428 -13.434 -17.054 1.00 1.24 O ATOM 927 CB ASP A 63 3.093 -13.178 -17.344 1.00 1.16 C ATOM 928 CG ASP A 63 2.932 -14.057 -18.588 1.00 1.55 C ATOM 929 OD1 ASP A 63 2.106 -14.955 -18.553 1.00 1.91 O ATOM 930 OD2 ASP A 63 3.638 -13.817 -19.555 1.00 1.97 O ATOM 0 H ASP A 63 2.883 -13.115 -14.825 1.00 0.99 H new ATOM 0 HA ASP A 63 4.336 -14.822 -16.710 1.00 1.10 H new ATOM 0 HB2 ASP A 63 2.139 -13.088 -16.824 1.00 1.16 H new ATOM 0 HB3 ASP A 63 3.394 -12.171 -17.634 1.00 1.16 H new ATOM 935 N GLY A 64 5.452 -11.783 -15.952 1.00 0.93 N ATOM 936 CA GLY A 64 6.684 -10.935 -15.993 1.00 0.92 C ATOM 937 C GLY A 64 6.302 -9.464 -16.186 1.00 0.86 C ATOM 938 O GLY A 64 6.773 -8.812 -17.100 1.00 0.97 O ATOM 0 H GLY A 64 4.655 -11.360 -15.477 1.00 0.93 H new ATOM 0 HA2 GLY A 64 7.248 -11.054 -15.068 1.00 0.92 H new ATOM 0 HA3 GLY A 64 7.333 -11.261 -16.806 1.00 0.92 H new ATOM 942 N VAL A 65 5.455 -8.938 -15.330 1.00 0.75 N ATOM 943 CA VAL A 65 5.037 -7.505 -15.451 1.00 0.70 C ATOM 944 C VAL A 65 5.179 -6.822 -14.085 1.00 0.59 C ATOM 945 O VAL A 65 4.557 -7.217 -13.118 1.00 0.58 O ATOM 946 CB VAL A 65 3.576 -7.426 -15.918 1.00 0.75 C ATOM 947 CG1 VAL A 65 3.237 -5.981 -16.292 1.00 0.79 C ATOM 948 CG2 VAL A 65 3.374 -8.325 -17.143 1.00 0.94 C ATOM 0 H VAL A 65 5.034 -9.443 -14.550 1.00 0.75 H new ATOM 0 HA VAL A 65 5.671 -7.002 -16.181 1.00 0.70 H new ATOM 0 HB VAL A 65 2.924 -7.760 -15.111 1.00 0.75 H new ATOM 0 HG11 VAL A 65 2.200 -5.925 -16.624 1.00 0.79 H new ATOM 0 HG12 VAL A 65 3.376 -5.338 -15.423 1.00 0.79 H new ATOM 0 HG13 VAL A 65 3.894 -5.650 -17.097 1.00 0.79 H new ATOM 0 HG21 VAL A 65 2.336 -8.266 -17.471 1.00 0.94 H new ATOM 0 HG22 VAL A 65 4.029 -7.994 -17.949 1.00 0.94 H new ATOM 0 HG23 VAL A 65 3.614 -9.356 -16.881 1.00 0.94 H new ATOM 958 N GLY A 66 6.002 -5.800 -14.005 1.00 0.56 N ATOM 959 CA GLY A 66 6.210 -5.080 -12.711 1.00 0.46 C ATOM 960 C GLY A 66 5.000 -4.198 -12.399 1.00 0.40 C ATOM 961 O GLY A 66 4.979 -3.024 -12.720 1.00 0.43 O ATOM 0 H GLY A 66 6.541 -5.433 -14.789 1.00 0.56 H new ATOM 0 HA2 GLY A 66 6.363 -5.799 -11.906 1.00 0.46 H new ATOM 0 HA3 GLY A 66 7.111 -4.469 -12.767 1.00 0.46 H new ATOM 965 N VAL A 67 4.001 -4.760 -11.766 1.00 0.38 N ATOM 966 CA VAL A 67 2.778 -3.973 -11.409 1.00 0.38 C ATOM 967 C VAL A 67 3.120 -2.985 -10.284 1.00 0.32 C ATOM 968 O VAL A 67 3.687 -3.353 -9.267 1.00 0.36 O ATOM 969 CB VAL A 67 1.661 -4.917 -10.939 1.00 0.43 C ATOM 970 CG1 VAL A 67 0.349 -4.139 -10.816 1.00 0.50 C ATOM 971 CG2 VAL A 67 1.484 -6.053 -11.952 1.00 0.53 C ATOM 0 H VAL A 67 3.979 -5.738 -11.478 1.00 0.38 H new ATOM 0 HA VAL A 67 2.435 -3.427 -12.288 1.00 0.38 H new ATOM 0 HB VAL A 67 1.930 -5.335 -9.969 1.00 0.43 H new ATOM 0 HG11 VAL A 67 -0.442 -4.810 -10.482 1.00 0.50 H new ATOM 0 HG12 VAL A 67 0.470 -3.333 -10.092 1.00 0.50 H new ATOM 0 HG13 VAL A 67 0.083 -3.718 -11.786 1.00 0.50 H new ATOM 0 HG21 VAL A 67 0.691 -6.721 -11.615 1.00 0.53 H new ATOM 0 HG22 VAL A 67 1.219 -5.636 -12.924 1.00 0.53 H new ATOM 0 HG23 VAL A 67 2.416 -6.612 -12.039 1.00 0.53 H new ATOM 981 N ASN A 68 2.775 -1.733 -10.467 1.00 0.33 N ATOM 982 CA ASN A 68 3.068 -0.701 -9.425 1.00 0.32 C ATOM 983 C ASN A 68 1.763 -0.263 -8.741 1.00 0.35 C ATOM 984 O ASN A 68 0.686 -0.478 -9.269 1.00 0.41 O ATOM 985 CB ASN A 68 3.729 0.513 -10.090 1.00 0.36 C ATOM 986 CG ASN A 68 5.185 0.183 -10.432 1.00 0.48 C ATOM 987 OD1 ASN A 68 6.015 0.060 -9.552 1.00 0.72 O ATOM 988 ND2 ASN A 68 5.534 0.036 -11.681 1.00 0.72 N ATOM 0 H ASN A 68 2.300 -1.381 -11.298 1.00 0.33 H new ATOM 0 HA ASN A 68 3.739 -1.123 -8.676 1.00 0.32 H new ATOM 0 HB2 ASN A 68 3.185 0.786 -10.995 1.00 0.36 H new ATOM 0 HB3 ASN A 68 3.688 1.373 -9.422 1.00 0.36 H new ATOM 0 HD21 ASN A 68 6.502 -0.182 -11.918 1.00 0.72 H new ATOM 0 HD22 ASN A 68 4.839 0.139 -12.420 1.00 0.72 H new ATOM 995 N PRO A 69 1.904 0.346 -7.582 1.00 0.38 N ATOM 996 CA PRO A 69 0.761 0.839 -6.789 1.00 0.48 C ATOM 997 C PRO A 69 0.236 2.157 -7.385 1.00 0.52 C ATOM 998 O PRO A 69 0.326 3.210 -6.778 1.00 0.62 O ATOM 999 CB PRO A 69 1.357 1.045 -5.390 1.00 0.55 C ATOM 1000 CG PRO A 69 2.882 1.210 -5.585 1.00 0.52 C ATOM 1001 CD PRO A 69 3.219 0.598 -6.957 1.00 0.40 C ATOM 0 HA PRO A 69 -0.090 0.159 -6.776 1.00 0.48 H new ATOM 0 HB2 PRO A 69 0.929 1.926 -4.911 1.00 0.55 H new ATOM 0 HB3 PRO A 69 1.138 0.194 -4.745 1.00 0.55 H new ATOM 0 HG2 PRO A 69 3.165 2.262 -5.550 1.00 0.52 H new ATOM 0 HG3 PRO A 69 3.431 0.705 -4.790 1.00 0.52 H new ATOM 0 HD2 PRO A 69 3.821 1.279 -7.559 1.00 0.40 H new ATOM 0 HD3 PRO A 69 3.791 -0.324 -6.851 1.00 0.40 H new ATOM 1009 N ALA A 70 -0.298 2.095 -8.579 1.00 0.53 N ATOM 1010 CA ALA A 70 -0.828 3.326 -9.248 1.00 0.62 C ATOM 1011 C ALA A 70 -2.218 3.049 -9.845 1.00 0.64 C ATOM 1012 O ALA A 70 -3.096 3.893 -9.796 1.00 0.90 O ATOM 1013 CB ALA A 70 0.132 3.750 -10.363 1.00 0.64 C ATOM 0 H ALA A 70 -0.391 1.238 -9.124 1.00 0.53 H new ATOM 0 HA ALA A 70 -0.913 4.124 -8.511 1.00 0.62 H new ATOM 0 HB1 ALA A 70 -0.251 4.646 -10.852 1.00 0.64 H new ATOM 0 HB2 ALA A 70 1.113 3.960 -9.938 1.00 0.64 H new ATOM 0 HB3 ALA A 70 0.218 2.946 -11.094 1.00 0.64 H new ATOM 1019 N GLN A 71 -2.421 1.880 -10.415 1.00 0.55 N ATOM 1020 CA GLN A 71 -3.748 1.545 -11.026 1.00 0.57 C ATOM 1021 C GLN A 71 -4.722 1.050 -9.942 1.00 0.56 C ATOM 1022 O GLN A 71 -4.302 0.626 -8.881 1.00 0.54 O ATOM 1023 CB GLN A 71 -3.560 0.445 -12.077 1.00 0.57 C ATOM 1024 CG GLN A 71 -2.638 0.948 -13.194 1.00 0.61 C ATOM 1025 CD GLN A 71 -1.255 0.309 -13.043 1.00 0.65 C ATOM 1026 OE1 GLN A 71 -0.321 0.953 -12.605 1.00 0.98 O ATOM 1027 NE2 GLN A 71 -1.082 -0.938 -13.387 1.00 0.84 N ATOM 0 H GLN A 71 -1.720 1.142 -10.482 1.00 0.55 H new ATOM 0 HA GLN A 71 -4.159 2.440 -11.494 1.00 0.57 H new ATOM 0 HB2 GLN A 71 -3.134 -0.445 -11.614 1.00 0.57 H new ATOM 0 HB3 GLN A 71 -4.526 0.157 -12.492 1.00 0.57 H new ATOM 0 HG2 GLN A 71 -3.060 0.700 -14.168 1.00 0.61 H new ATOM 0 HG3 GLN A 71 -2.555 2.034 -13.150 1.00 0.61 H new ATOM 0 HE21 GLN A 71 -1.865 -1.479 -13.754 1.00 0.84 H new ATOM 0 HE22 GLN A 71 -0.164 -1.372 -13.288 1.00 0.84 H new ATOM 1036 N PRO A 72 -6.000 1.114 -10.251 1.00 0.60 N ATOM 1037 CA PRO A 72 -7.073 0.673 -9.333 1.00 0.61 C ATOM 1038 C PRO A 72 -7.182 -0.860 -9.320 1.00 0.59 C ATOM 1039 O PRO A 72 -6.753 -1.529 -10.242 1.00 0.60 O ATOM 1040 CB PRO A 72 -8.335 1.306 -9.923 1.00 0.70 C ATOM 1041 CG PRO A 72 -8.030 1.585 -11.413 1.00 0.72 C ATOM 1042 CD PRO A 72 -6.496 1.632 -11.546 1.00 0.67 C ATOM 0 HA PRO A 72 -6.896 0.969 -8.299 1.00 0.61 H new ATOM 0 HB2 PRO A 72 -9.189 0.637 -9.820 1.00 0.70 H new ATOM 0 HB3 PRO A 72 -8.588 2.228 -9.399 1.00 0.70 H new ATOM 0 HG2 PRO A 72 -8.450 0.805 -12.047 1.00 0.72 H new ATOM 0 HG3 PRO A 72 -8.476 2.528 -11.730 1.00 0.72 H new ATOM 0 HD2 PRO A 72 -6.150 1.019 -12.378 1.00 0.67 H new ATOM 0 HD3 PRO A 72 -6.144 2.647 -11.730 1.00 0.67 H new ATOM 1050 N ALA A 73 -7.757 -1.414 -8.275 1.00 0.59 N ATOM 1051 CA ALA A 73 -7.905 -2.905 -8.177 1.00 0.58 C ATOM 1052 C ALA A 73 -8.643 -3.447 -9.410 1.00 0.64 C ATOM 1053 O ALA A 73 -8.298 -4.492 -9.932 1.00 0.66 O ATOM 1054 CB ALA A 73 -8.699 -3.257 -6.916 1.00 0.62 C ATOM 0 H ALA A 73 -8.132 -0.894 -7.482 1.00 0.59 H new ATOM 0 HA ALA A 73 -6.914 -3.356 -8.128 1.00 0.58 H new ATOM 0 HB1 ALA A 73 -8.807 -4.339 -6.844 1.00 0.62 H new ATOM 0 HB2 ALA A 73 -8.171 -2.886 -6.038 1.00 0.62 H new ATOM 0 HB3 ALA A 73 -9.686 -2.797 -6.967 1.00 0.62 H new ATOM 1060 N GLY A 74 -9.653 -2.745 -9.878 1.00 0.71 N ATOM 1061 CA GLY A 74 -10.417 -3.212 -11.077 1.00 0.78 C ATOM 1062 C GLY A 74 -9.478 -3.331 -12.284 1.00 0.74 C ATOM 1063 O GLY A 74 -9.492 -4.323 -12.990 1.00 0.77 O ATOM 0 H GLY A 74 -9.979 -1.866 -9.477 1.00 0.71 H new ATOM 0 HA2 GLY A 74 -10.881 -4.177 -10.870 1.00 0.78 H new ATOM 0 HA3 GLY A 74 -11.223 -2.513 -11.300 1.00 0.78 H new ATOM 1067 N ASN A 75 -8.661 -2.328 -12.520 1.00 0.70 N ATOM 1068 CA ASN A 75 -7.714 -2.371 -13.680 1.00 0.68 C ATOM 1069 C ASN A 75 -6.633 -3.434 -13.435 1.00 0.63 C ATOM 1070 O ASN A 75 -6.223 -4.125 -14.350 1.00 0.66 O ATOM 1071 CB ASN A 75 -7.052 -0.998 -13.847 1.00 0.69 C ATOM 1072 CG ASN A 75 -6.180 -0.993 -15.107 1.00 0.72 C ATOM 1073 OD1 ASN A 75 -4.970 -1.077 -15.022 1.00 0.82 O ATOM 1074 ND2 ASN A 75 -6.747 -0.899 -16.280 1.00 0.92 N ATOM 0 H ASN A 75 -8.611 -1.480 -11.956 1.00 0.70 H new ATOM 0 HA ASN A 75 -8.266 -2.625 -14.585 1.00 0.68 H new ATOM 0 HB2 ASN A 75 -7.815 -0.222 -13.918 1.00 0.69 H new ATOM 0 HB3 ASN A 75 -6.444 -0.768 -12.972 1.00 0.69 H new ATOM 0 HD21 ASN A 75 -6.175 -0.896 -17.124 1.00 0.92 H new ATOM 0 HD22 ASN A 75 -7.762 -0.829 -16.352 1.00 0.92 H new ATOM 1081 N ILE A 76 -6.169 -3.568 -12.211 1.00 0.60 N ATOM 1082 CA ILE A 76 -5.113 -4.585 -11.899 1.00 0.57 C ATOM 1083 C ILE A 76 -5.644 -5.991 -12.213 1.00 0.61 C ATOM 1084 O ILE A 76 -4.949 -6.805 -12.794 1.00 0.65 O ATOM 1085 CB ILE A 76 -4.737 -4.494 -10.413 1.00 0.56 C ATOM 1086 CG1 ILE A 76 -4.090 -3.128 -10.126 1.00 0.56 C ATOM 1087 CG2 ILE A 76 -3.752 -5.614 -10.052 1.00 0.57 C ATOM 1088 CD1 ILE A 76 -2.740 -3.020 -10.843 1.00 0.55 C ATOM 0 H ILE A 76 -6.479 -3.013 -11.413 1.00 0.60 H new ATOM 0 HA ILE A 76 -4.230 -4.390 -12.508 1.00 0.57 H new ATOM 0 HB ILE A 76 -5.639 -4.603 -9.811 1.00 0.56 H new ATOM 0 HG12 ILE A 76 -4.751 -2.328 -10.458 1.00 0.56 H new ATOM 0 HG13 ILE A 76 -3.951 -3.002 -9.052 1.00 0.56 H new ATOM 0 HG21 ILE A 76 -3.490 -5.542 -8.996 1.00 0.57 H new ATOM 0 HG22 ILE A 76 -4.214 -6.582 -10.246 1.00 0.57 H new ATOM 0 HG23 ILE A 76 -2.851 -5.515 -10.657 1.00 0.57 H new ATOM 0 HD11 ILE A 76 -2.293 -2.049 -10.632 1.00 0.55 H new ATOM 0 HD12 ILE A 76 -2.077 -3.810 -10.490 1.00 0.55 H new ATOM 0 HD13 ILE A 76 -2.889 -3.125 -11.918 1.00 0.55 H new ATOM 1100 N PHE A 77 -6.870 -6.274 -11.838 1.00 0.64 N ATOM 1101 CA PHE A 77 -7.463 -7.621 -12.114 1.00 0.69 C ATOM 1102 C PHE A 77 -7.764 -7.756 -13.615 1.00 0.75 C ATOM 1103 O PHE A 77 -7.630 -8.821 -14.188 1.00 0.82 O ATOM 1104 CB PHE A 77 -8.761 -7.775 -11.313 1.00 0.74 C ATOM 1105 CG PHE A 77 -9.124 -9.237 -11.196 1.00 0.76 C ATOM 1106 CD1 PHE A 77 -9.850 -9.861 -12.219 1.00 0.87 C ATOM 1107 CD2 PHE A 77 -8.739 -9.968 -10.066 1.00 0.82 C ATOM 1108 CE1 PHE A 77 -10.189 -11.215 -12.112 1.00 0.92 C ATOM 1109 CE2 PHE A 77 -9.080 -11.322 -9.959 1.00 0.87 C ATOM 1110 CZ PHE A 77 -9.804 -11.945 -10.982 1.00 0.87 C ATOM 0 H PHE A 77 -7.488 -5.626 -11.350 1.00 0.64 H new ATOM 0 HA PHE A 77 -6.757 -8.398 -11.819 1.00 0.69 H new ATOM 0 HB2 PHE A 77 -8.639 -7.341 -10.320 1.00 0.74 H new ATOM 0 HB3 PHE A 77 -9.568 -7.229 -11.803 1.00 0.74 H new ATOM 0 HD1 PHE A 77 -10.148 -9.297 -13.091 1.00 0.87 H new ATOM 0 HD2 PHE A 77 -8.179 -9.488 -9.277 1.00 0.82 H new ATOM 0 HE1 PHE A 77 -10.748 -11.696 -12.901 1.00 0.92 H new ATOM 0 HE2 PHE A 77 -8.784 -11.886 -9.087 1.00 0.87 H new ATOM 0 HZ PHE A 77 -10.066 -12.990 -10.899 1.00 0.87 H new ATOM 1120 N LEU A 78 -8.175 -6.681 -14.250 1.00 0.76 N ATOM 1121 CA LEU A 78 -8.497 -6.730 -15.712 1.00 0.83 C ATOM 1122 C LEU A 78 -7.216 -6.918 -16.539 1.00 0.82 C ATOM 1123 O LEU A 78 -7.221 -7.607 -17.544 1.00 0.91 O ATOM 1124 CB LEU A 78 -9.172 -5.414 -16.124 1.00 0.86 C ATOM 1125 CG LEU A 78 -10.680 -5.629 -16.314 1.00 0.97 C ATOM 1126 CD1 LEU A 78 -10.926 -6.537 -17.523 1.00 1.09 C ATOM 1127 CD2 LEU A 78 -11.278 -6.274 -15.058 1.00 1.01 C ATOM 0 H LEU A 78 -8.301 -5.767 -13.814 1.00 0.76 H new ATOM 0 HA LEU A 78 -9.165 -7.571 -15.898 1.00 0.83 H new ATOM 0 HB2 LEU A 78 -8.999 -4.654 -15.362 1.00 0.86 H new ATOM 0 HB3 LEU A 78 -8.730 -5.044 -17.049 1.00 0.86 H new ATOM 0 HG LEU A 78 -11.157 -4.664 -16.484 1.00 0.97 H new ATOM 0 HD11 LEU A 78 -11.998 -6.687 -17.654 1.00 1.09 H new ATOM 0 HD12 LEU A 78 -10.513 -6.071 -18.418 1.00 1.09 H new ATOM 0 HD13 LEU A 78 -10.443 -7.500 -17.359 1.00 1.09 H new ATOM 0 HD21 LEU A 78 -12.348 -6.423 -15.200 1.00 1.01 H new ATOM 0 HD22 LEU A 78 -10.798 -7.236 -14.879 1.00 1.01 H new ATOM 0 HD23 LEU A 78 -11.114 -5.622 -14.200 1.00 1.01 H new ATOM 1139 N LYS A 79 -6.129 -6.301 -16.136 1.00 0.77 N ATOM 1140 CA LYS A 79 -4.853 -6.425 -16.907 1.00 0.78 C ATOM 1141 C LYS A 79 -4.083 -7.682 -16.476 1.00 0.77 C ATOM 1142 O LYS A 79 -3.690 -8.485 -17.302 1.00 0.85 O ATOM 1143 CB LYS A 79 -3.984 -5.186 -16.656 1.00 0.86 C ATOM 1144 CG LYS A 79 -3.614 -4.539 -17.994 1.00 0.89 C ATOM 1145 CD LYS A 79 -2.229 -3.890 -17.885 1.00 0.99 C ATOM 1146 CE LYS A 79 -2.383 -2.398 -17.571 1.00 1.06 C ATOM 1147 NZ LYS A 79 -1.548 -2.047 -16.386 1.00 1.53 N ATOM 0 H LYS A 79 -6.072 -5.715 -15.303 1.00 0.77 H new ATOM 0 HA LYS A 79 -5.091 -6.505 -17.968 1.00 0.78 H new ATOM 0 HB2 LYS A 79 -4.522 -4.472 -16.032 1.00 0.86 H new ATOM 0 HB3 LYS A 79 -3.081 -5.466 -16.114 1.00 0.86 H new ATOM 0 HG2 LYS A 79 -3.614 -5.289 -18.785 1.00 0.89 H new ATOM 0 HG3 LYS A 79 -4.358 -3.790 -18.265 1.00 0.89 H new ATOM 0 HD2 LYS A 79 -1.648 -4.378 -17.103 1.00 0.99 H new ATOM 0 HD3 LYS A 79 -1.681 -4.021 -18.818 1.00 0.99 H new ATOM 0 HE2 LYS A 79 -2.080 -1.802 -18.432 1.00 1.06 H new ATOM 0 HE3 LYS A 79 -3.429 -2.164 -17.374 1.00 1.06 H new ATOM 0 HZ1 LYS A 79 -1.654 -1.034 -16.174 1.00 1.53 H new ATOM 0 HZ2 LYS A 79 -1.857 -2.606 -15.565 1.00 1.53 H new ATOM 0 HZ3 LYS A 79 -0.550 -2.255 -16.591 1.00 1.53 H new ATOM 1161 N HIS A 80 -3.849 -7.845 -15.194 1.00 0.79 N ATOM 1162 CA HIS A 80 -3.083 -9.037 -14.708 1.00 0.86 C ATOM 1163 C HIS A 80 -4.050 -10.116 -14.206 1.00 0.83 C ATOM 1164 O HIS A 80 -4.071 -11.221 -14.718 1.00 0.95 O ATOM 1165 CB HIS A 80 -2.138 -8.614 -13.574 1.00 0.94 C ATOM 1166 CG HIS A 80 -1.455 -7.321 -13.942 1.00 1.08 C ATOM 1167 ND1 HIS A 80 -0.582 -7.224 -15.015 1.00 1.25 N ATOM 1168 CD2 HIS A 80 -1.523 -6.062 -13.400 1.00 1.17 C ATOM 1169 CE1 HIS A 80 -0.165 -5.948 -15.084 1.00 1.39 C ATOM 1170 NE2 HIS A 80 -0.708 -5.196 -14.123 1.00 1.36 N ATOM 0 H HIS A 80 -4.156 -7.203 -14.463 1.00 0.79 H new ATOM 0 HA HIS A 80 -2.498 -9.445 -15.532 1.00 0.86 H new ATOM 0 HB2 HIS A 80 -2.698 -8.490 -12.647 1.00 0.94 H new ATOM 0 HB3 HIS A 80 -1.395 -9.392 -13.396 1.00 0.94 H new ATOM 0 HD2 HIS A 80 -2.119 -5.785 -12.543 1.00 1.17 H new ATOM 0 HE1 HIS A 80 0.525 -5.576 -15.827 1.00 1.39 H new ATOM 0 HE2 HIS A 80 -0.558 -4.201 -13.955 1.00 1.36 H new ATOM 1178 N GLY A 81 -4.847 -9.805 -13.208 1.00 0.76 N ATOM 1179 CA GLY A 81 -5.815 -10.811 -12.668 1.00 0.76 C ATOM 1180 C GLY A 81 -5.575 -11.004 -11.168 1.00 0.73 C ATOM 1181 O GLY A 81 -5.565 -10.052 -10.408 1.00 0.84 O ATOM 0 H GLY A 81 -4.867 -8.896 -12.745 1.00 0.76 H new ATOM 0 HA2 GLY A 81 -6.838 -10.476 -12.842 1.00 0.76 H new ATOM 0 HA3 GLY A 81 -5.697 -11.760 -13.190 1.00 0.76 H new ATOM 1185 N SER A 82 -5.387 -12.231 -10.740 1.00 0.74 N ATOM 1186 CA SER A 82 -5.152 -12.502 -9.287 1.00 0.75 C ATOM 1187 C SER A 82 -3.735 -13.054 -9.077 1.00 0.71 C ATOM 1188 O SER A 82 -3.039 -12.645 -8.166 1.00 0.72 O ATOM 1189 CB SER A 82 -6.182 -13.518 -8.778 1.00 0.86 C ATOM 1190 OG SER A 82 -6.113 -14.707 -9.560 1.00 0.95 O ATOM 0 H SER A 82 -5.386 -13.058 -11.337 1.00 0.74 H new ATOM 0 HA SER A 82 -5.257 -11.570 -8.731 1.00 0.75 H new ATOM 0 HB2 SER A 82 -5.991 -13.749 -7.730 1.00 0.86 H new ATOM 0 HB3 SER A 82 -7.184 -13.093 -8.833 1.00 0.86 H new ATOM 0 HG SER A 82 -6.771 -15.354 -9.230 1.00 0.95 H new ATOM 1196 N GLU A 83 -3.308 -13.982 -9.905 1.00 0.74 N ATOM 1197 CA GLU A 83 -1.939 -14.571 -9.752 1.00 0.76 C ATOM 1198 C GLU A 83 -0.877 -13.470 -9.891 1.00 0.68 C ATOM 1199 O GLU A 83 -0.623 -12.968 -10.972 1.00 0.76 O ATOM 1200 CB GLU A 83 -1.717 -15.648 -10.822 1.00 0.86 C ATOM 1201 CG GLU A 83 -1.763 -17.034 -10.172 1.00 1.02 C ATOM 1202 CD GLU A 83 -3.207 -17.383 -9.794 1.00 1.22 C ATOM 1203 OE1 GLU A 83 -3.897 -17.950 -10.626 1.00 1.34 O ATOM 1204 OE2 GLU A 83 -3.600 -17.077 -8.679 1.00 1.63 O ATOM 0 H GLU A 83 -3.852 -14.357 -10.682 1.00 0.74 H new ATOM 0 HA GLU A 83 -1.853 -15.024 -8.764 1.00 0.76 H new ATOM 0 HB2 GLU A 83 -2.483 -15.572 -11.594 1.00 0.86 H new ATOM 0 HB3 GLU A 83 -0.755 -15.496 -11.311 1.00 0.86 H new ATOM 0 HG2 GLU A 83 -1.367 -17.781 -10.859 1.00 1.02 H new ATOM 0 HG3 GLU A 83 -1.131 -17.050 -9.284 1.00 1.02 H new ATOM 1211 N LEU A 84 -0.259 -13.098 -8.792 1.00 0.61 N ATOM 1212 CA LEU A 84 0.792 -12.033 -8.822 1.00 0.58 C ATOM 1213 C LEU A 84 1.960 -12.428 -7.903 1.00 0.56 C ATOM 1214 O LEU A 84 1.859 -13.353 -7.113 1.00 0.60 O ATOM 1215 CB LEU A 84 0.187 -10.706 -8.345 1.00 0.59 C ATOM 1216 CG LEU A 84 -0.579 -10.042 -9.496 1.00 0.68 C ATOM 1217 CD1 LEU A 84 -1.893 -9.460 -8.969 1.00 0.98 C ATOM 1218 CD2 LEU A 84 0.271 -8.919 -10.097 1.00 0.71 C ATOM 0 H LEU A 84 -0.441 -13.492 -7.869 1.00 0.61 H new ATOM 0 HA LEU A 84 1.162 -11.919 -9.841 1.00 0.58 H new ATOM 0 HB2 LEU A 84 -0.483 -10.883 -7.504 1.00 0.59 H new ATOM 0 HB3 LEU A 84 0.976 -10.043 -7.990 1.00 0.59 H new ATOM 0 HG LEU A 84 -0.793 -10.786 -10.263 1.00 0.68 H new ATOM 0 HD11 LEU A 84 -2.436 -8.988 -9.788 1.00 0.98 H new ATOM 0 HD12 LEU A 84 -2.500 -10.259 -8.543 1.00 0.98 H new ATOM 0 HD13 LEU A 84 -1.680 -8.718 -8.200 1.00 0.98 H new ATOM 0 HD21 LEU A 84 -0.274 -8.448 -10.915 1.00 0.71 H new ATOM 0 HD22 LEU A 84 0.487 -8.176 -9.329 1.00 0.71 H new ATOM 0 HD23 LEU A 84 1.206 -9.333 -10.475 1.00 0.71 H new ATOM 1230 N ARG A 85 3.065 -11.731 -8.008 1.00 0.58 N ATOM 1231 CA ARG A 85 4.256 -12.047 -7.158 1.00 0.57 C ATOM 1232 C ARG A 85 4.723 -10.783 -6.423 1.00 0.52 C ATOM 1233 O ARG A 85 4.536 -9.675 -6.894 1.00 0.50 O ATOM 1234 CB ARG A 85 5.392 -12.557 -8.051 1.00 0.61 C ATOM 1235 CG ARG A 85 5.192 -14.046 -8.339 1.00 0.76 C ATOM 1236 CD ARG A 85 6.455 -14.818 -7.948 1.00 1.16 C ATOM 1237 NE ARG A 85 6.288 -16.256 -8.304 1.00 1.11 N ATOM 1238 CZ ARG A 85 6.219 -17.161 -7.364 1.00 1.21 C ATOM 1239 NH1 ARG A 85 7.306 -17.549 -6.748 1.00 1.39 N ATOM 1240 NH2 ARG A 85 5.064 -17.680 -7.041 1.00 1.49 N ATOM 0 H ARG A 85 3.194 -10.950 -8.651 1.00 0.58 H new ATOM 0 HA ARG A 85 3.984 -12.810 -6.428 1.00 0.57 H new ATOM 0 HB2 ARG A 85 5.413 -11.996 -8.985 1.00 0.61 H new ATOM 0 HB3 ARG A 85 6.352 -12.397 -7.561 1.00 0.61 H new ATOM 0 HG2 ARG A 85 4.335 -14.423 -7.780 1.00 0.76 H new ATOM 0 HG3 ARG A 85 4.974 -14.196 -9.396 1.00 0.76 H new ATOM 0 HD2 ARG A 85 7.322 -14.403 -8.463 1.00 1.16 H new ATOM 0 HD3 ARG A 85 6.640 -14.716 -6.879 1.00 1.16 H new ATOM 0 HE ARG A 85 6.227 -16.534 -9.284 1.00 1.11 H new ATOM 0 HH11 ARG A 85 8.208 -17.145 -7.001 1.00 1.39 H new ATOM 0 HH12 ARG A 85 7.252 -18.255 -6.014 1.00 1.39 H new ATOM 0 HH21 ARG A 85 4.217 -17.379 -7.523 1.00 1.49 H new ATOM 0 HH22 ARG A 85 5.010 -18.386 -6.307 1.00 1.49 H new ATOM 1254 N LEU A 86 5.342 -10.945 -5.277 1.00 0.53 N ATOM 1255 CA LEU A 86 5.838 -9.763 -4.508 1.00 0.51 C ATOM 1256 C LEU A 86 7.359 -9.653 -4.669 1.00 0.52 C ATOM 1257 O LEU A 86 8.084 -10.612 -4.464 1.00 0.61 O ATOM 1258 CB LEU A 86 5.492 -9.920 -3.023 1.00 0.55 C ATOM 1259 CG LEU A 86 5.503 -8.541 -2.353 1.00 0.70 C ATOM 1260 CD1 LEU A 86 4.187 -8.316 -1.605 1.00 0.76 C ATOM 1261 CD2 LEU A 86 6.671 -8.463 -1.368 1.00 0.95 C ATOM 0 H LEU A 86 5.525 -11.849 -4.841 1.00 0.53 H new ATOM 0 HA LEU A 86 5.361 -8.861 -4.892 1.00 0.51 H new ATOM 0 HB2 LEU A 86 4.511 -10.383 -2.913 1.00 0.55 H new ATOM 0 HB3 LEU A 86 6.212 -10.579 -2.537 1.00 0.55 H new ATOM 0 HG LEU A 86 5.617 -7.771 -3.116 1.00 0.70 H new ATOM 0 HD11 LEU A 86 4.201 -7.335 -1.131 1.00 0.76 H new ATOM 0 HD12 LEU A 86 3.356 -8.368 -2.308 1.00 0.76 H new ATOM 0 HD13 LEU A 86 4.066 -9.085 -0.842 1.00 0.76 H new ATOM 0 HD21 LEU A 86 6.680 -7.483 -0.891 1.00 0.95 H new ATOM 0 HD22 LEU A 86 6.558 -9.236 -0.608 1.00 0.95 H new ATOM 0 HD23 LEU A 86 7.609 -8.615 -1.903 1.00 0.95 H new ATOM 1273 N ILE A 87 7.839 -8.489 -5.030 1.00 0.53 N ATOM 1274 CA ILE A 87 9.312 -8.293 -5.208 1.00 0.56 C ATOM 1275 C ILE A 87 9.753 -7.029 -4.445 1.00 0.54 C ATOM 1276 O ILE A 87 9.105 -6.002 -4.528 1.00 0.50 O ATOM 1277 CB ILE A 87 9.629 -8.155 -6.710 1.00 0.57 C ATOM 1278 CG1 ILE A 87 11.134 -7.928 -6.903 1.00 0.63 C ATOM 1279 CG2 ILE A 87 8.852 -6.979 -7.317 1.00 0.56 C ATOM 1280 CD1 ILE A 87 11.510 -8.186 -8.365 1.00 0.69 C ATOM 0 H ILE A 87 7.271 -7.661 -5.210 1.00 0.53 H new ATOM 0 HA ILE A 87 9.854 -9.151 -4.811 1.00 0.56 H new ATOM 0 HB ILE A 87 9.329 -9.073 -7.215 1.00 0.57 H new ATOM 0 HG12 ILE A 87 11.397 -6.907 -6.624 1.00 0.63 H new ATOM 0 HG13 ILE A 87 11.699 -8.592 -6.249 1.00 0.63 H new ATOM 0 HG21 ILE A 87 9.088 -6.896 -8.378 1.00 0.56 H new ATOM 0 HG22 ILE A 87 7.782 -7.148 -7.195 1.00 0.56 H new ATOM 0 HG23 ILE A 87 9.134 -6.056 -6.810 1.00 0.56 H new ATOM 0 HD11 ILE A 87 12.579 -8.024 -8.500 1.00 0.69 H new ATOM 0 HD12 ILE A 87 11.263 -9.214 -8.628 1.00 0.69 H new ATOM 0 HD13 ILE A 87 10.956 -7.503 -9.009 1.00 0.69 H new ATOM 1292 N PRO A 88 10.845 -7.142 -3.715 1.00 0.62 N ATOM 1293 CA PRO A 88 11.390 -6.020 -2.926 1.00 0.65 C ATOM 1294 C PRO A 88 12.109 -5.020 -3.846 1.00 0.65 C ATOM 1295 O PRO A 88 13.323 -4.888 -3.817 1.00 0.75 O ATOM 1296 CB PRO A 88 12.360 -6.700 -1.952 1.00 0.77 C ATOM 1297 CG PRO A 88 12.743 -8.053 -2.594 1.00 0.82 C ATOM 1298 CD PRO A 88 11.631 -8.391 -3.605 1.00 0.73 C ATOM 0 HA PRO A 88 10.626 -5.442 -2.406 1.00 0.65 H new ATOM 0 HB2 PRO A 88 13.244 -6.083 -1.789 1.00 0.77 H new ATOM 0 HB3 PRO A 88 11.892 -6.850 -0.979 1.00 0.77 H new ATOM 0 HG2 PRO A 88 13.711 -7.986 -3.091 1.00 0.82 H new ATOM 0 HG3 PRO A 88 12.827 -8.832 -1.836 1.00 0.82 H new ATOM 0 HD2 PRO A 88 12.046 -8.686 -4.569 1.00 0.73 H new ATOM 0 HD3 PRO A 88 11.015 -9.220 -3.256 1.00 0.73 H new