USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 408 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 Single : A 1 VAL N :NH3+ -121:sc= -0.2 (180deg=-0.411) USER MOD Single : A 5 TYR OH : rot -33:sc= 1.24 USER MOD Single : A 8 GLN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 11 ASN : amide:sc= 0.485 K(o=0.49,f=-7.1!) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS :FLIP no HE2:sc= 0.00942 F(o=-0.56,f=0.0094) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0214 USER MOD Single : A 21 SER OG : rot 180:sc= 0.131 USER MOD Single : A 25 THR OG1 : rot -76:sc= 1.13 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= -0.0167 (180deg=-0.488) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 34 SER OG : rot -10:sc= 1.15 USER MOD Single : A 36 HIS : no HD1:sc= -0.607 X(o=-0.61,f=-0.55) USER MOD Single : A 40 LYS NZ :NH3+ 149:sc= 0.166 (180deg=-0.0104) USER MOD Single : A 43 HIS : no HE2:sc= -0.612 K(o=-0.61,f=-1.4) USER MOD Single : A 50 ASN : amide:sc= 1.04 K(o=1,f=-4.6!) USER MOD Single : A 55 ASN : amide:sc= 0.0554 K(o=0.055,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.337 11.229 6.264 1.00 0.00 N ATOM 2 CA VAL A 1 6.176 10.006 5.434 1.00 0.00 C ATOM 3 C VAL A 1 5.211 9.062 6.105 1.00 0.00 C ATOM 4 O VAL A 1 4.967 9.144 7.311 1.00 0.00 O ATOM 5 CB VAL A 1 7.522 9.307 5.182 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.477 10.263 4.435 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.169 8.787 6.488 1.00 0.00 C ATOM 0 H1 VAL A 1 6.060 12.064 5.709 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.733 11.158 7.108 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.331 11.322 6.556 1.00 0.00 H new ATOM 0 HA VAL A 1 5.779 10.304 4.464 1.00 0.00 H new ATOM 0 HB VAL A 1 7.331 8.432 4.561 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.429 9.762 4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.034 10.547 3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.643 11.156 5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.117 8.302 6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.345 9.623 7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.501 8.069 6.964 1.00 0.00 H new ATOM 19 N ARG A 2 4.641 8.113 5.333 1.00 0.00 N ATOM 20 CA ARG A 2 3.806 7.067 5.869 1.00 0.00 C ATOM 21 C ARG A 2 4.699 5.882 6.103 1.00 0.00 C ATOM 22 O ARG A 2 5.632 5.644 5.334 1.00 0.00 O ATOM 23 CB ARG A 2 2.689 6.552 4.916 1.00 0.00 C ATOM 24 CG ARG A 2 1.615 7.574 4.495 1.00 0.00 C ATOM 25 CD ARG A 2 1.986 8.448 3.284 1.00 0.00 C ATOM 26 NE ARG A 2 0.727 8.984 2.659 1.00 0.00 N ATOM 27 CZ ARG A 2 0.103 10.138 3.051 1.00 0.00 C ATOM 28 NH1 ARG A 2 0.590 10.897 4.075 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.028 10.533 2.393 1.00 0.00 N ATOM 0 H ARG A 2 4.759 8.068 4.321 1.00 0.00 H new ATOM 0 HA ARG A 2 3.321 7.487 6.750 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.163 6.165 4.014 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.189 5.712 5.399 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.694 7.037 4.268 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.403 8.226 5.343 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.630 9.270 3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.547 7.863 2.556 1.00 0.00 H new ATOM 0 HE ARG A 2 0.311 8.453 1.894 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.436 10.608 4.566 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.108 11.753 4.349 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.393 9.971 1.624 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.507 11.390 2.671 1.00 0.00 H new ATOM 43 N ASP A 3 4.376 5.072 7.132 1.00 0.00 N ATOM 44 CA ASP A 3 4.749 3.686 7.170 1.00 0.00 C ATOM 45 C ASP A 3 3.350 3.195 7.303 1.00 0.00 C ATOM 46 O ASP A 3 2.649 3.646 8.211 1.00 0.00 O ATOM 47 CB ASP A 3 5.587 3.217 8.391 1.00 0.00 C ATOM 48 CG ASP A 3 6.879 4.027 8.501 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.676 4.018 7.525 1.00 0.00 O ATOM 50 OD2 ASP A 3 7.092 4.662 9.567 1.00 0.00 O ATOM 0 H ASP A 3 3.849 5.382 7.949 1.00 0.00 H new ATOM 0 HA ASP A 3 5.388 3.363 6.348 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.003 3.329 9.304 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.823 2.158 8.291 1.00 0.00 H new ATOM 55 N GLY A 4 2.854 2.407 6.333 1.00 0.00 N ATOM 56 CA GLY A 4 1.459 2.081 6.340 1.00 0.00 C ATOM 57 C GLY A 4 1.309 0.892 5.474 1.00 0.00 C ATOM 58 O GLY A 4 2.291 0.366 4.947 1.00 0.00 O ATOM 0 H GLY A 4 3.396 2.006 5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.113 1.871 7.352 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.863 2.913 5.965 1.00 0.00 H new ATOM 62 N TYR A 5 0.046 0.485 5.240 1.00 0.00 N ATOM 63 CA TYR A 5 -0.274 -0.470 4.219 1.00 0.00 C ATOM 64 C TYR A 5 -0.437 0.341 2.972 1.00 0.00 C ATOM 65 O TYR A 5 -1.076 1.385 3.034 1.00 0.00 O ATOM 66 CB TYR A 5 -1.606 -1.195 4.458 1.00 0.00 C ATOM 67 CG TYR A 5 -1.515 -2.105 5.637 1.00 0.00 C ATOM 68 CD1 TYR A 5 -1.066 -3.419 5.453 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.940 -1.695 6.913 1.00 0.00 C ATOM 70 CE1 TYR A 5 -1.100 -4.328 6.509 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.966 -2.604 7.977 1.00 0.00 C ATOM 72 CZ TYR A 5 -1.576 -3.933 7.767 1.00 0.00 C ATOM 73 OH TYR A 5 -1.776 -4.904 8.770 1.00 0.00 O ATOM 0 H TYR A 5 -0.762 0.821 5.764 1.00 0.00 H new ATOM 0 HA TYR A 5 0.505 -1.231 4.184 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.398 -0.464 4.619 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.876 -1.769 3.571 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.692 -3.729 4.489 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.248 -0.672 7.073 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.758 -5.341 6.357 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.286 -2.282 8.957 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.056 -5.748 8.357 1.00 0.00 H new ATOM 83 N ILE A 6 0.138 -0.096 1.831 1.00 0.00 N ATOM 84 CA ILE A 6 0.004 0.555 0.549 1.00 0.00 C ATOM 85 C ILE A 6 -1.198 -0.066 -0.117 1.00 0.00 C ATOM 86 O ILE A 6 -1.547 -1.230 0.132 1.00 0.00 O ATOM 87 CB ILE A 6 1.268 0.524 -0.328 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.173 1.430 -1.586 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.628 -0.921 -0.693 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.453 1.528 -2.423 1.00 0.00 C ATOM 0 H ILE A 6 0.719 -0.934 1.796 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.138 1.625 0.699 1.00 0.00 H new ATOM 0 HB ILE A 6 2.076 0.947 0.269 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.371 1.056 -2.222 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.888 2.433 -1.270 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.524 -0.927 -1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.813 -1.491 0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.803 -1.374 -1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.280 2.183 -3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.258 1.934 -1.811 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.732 0.536 -2.778 1.00 0.00 H new ATOM 102 N ALA A 7 -1.842 0.750 -0.974 1.00 0.00 N ATOM 103 CA ALA A 7 -3.025 0.488 -1.707 1.00 0.00 C ATOM 104 C ALA A 7 -2.832 1.460 -2.812 1.00 0.00 C ATOM 105 O ALA A 7 -1.808 2.140 -2.833 1.00 0.00 O ATOM 106 CB ALA A 7 -4.290 0.866 -0.939 1.00 0.00 C ATOM 0 H ALA A 7 -1.487 1.687 -1.165 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.157 -0.561 -1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.166 0.644 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.338 0.294 -0.013 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.270 1.931 -0.707 1.00 0.00 H new ATOM 112 N GLN A 8 -3.814 1.541 -3.727 1.00 0.00 N ATOM 113 CA GLN A 8 -3.848 2.424 -4.858 1.00 0.00 C ATOM 114 C GLN A 8 -4.610 3.652 -4.389 1.00 0.00 C ATOM 115 O GLN A 8 -5.367 3.532 -3.419 1.00 0.00 O ATOM 116 CB GLN A 8 -4.585 1.731 -6.035 1.00 0.00 C ATOM 117 CG GLN A 8 -3.920 0.398 -6.437 1.00 0.00 C ATOM 118 CD GLN A 8 -4.762 -0.329 -7.492 1.00 0.00 C ATOM 119 OE1 GLN A 8 -4.657 -0.035 -8.688 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.595 -1.312 -7.042 1.00 0.00 N ATOM 0 H GLN A 8 -4.643 0.949 -3.675 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.852 2.689 -5.212 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.622 1.547 -5.754 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.602 2.400 -6.895 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.921 0.588 -6.829 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.803 -0.236 -5.558 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.648 -1.519 -6.045 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.165 -1.840 -7.703 1.00 0.00 H new ATOM 129 N PRO A 9 -4.454 4.839 -4.990 1.00 0.00 N ATOM 130 CA PRO A 9 -4.730 6.089 -4.292 1.00 0.00 C ATOM 131 C PRO A 9 -6.191 6.442 -4.157 1.00 0.00 C ATOM 132 O PRO A 9 -6.458 7.465 -3.530 1.00 0.00 O ATOM 133 CB PRO A 9 -4.005 7.176 -5.113 1.00 0.00 C ATOM 134 CG PRO A 9 -3.719 6.531 -6.471 1.00 0.00 C ATOM 135 CD PRO A 9 -3.541 5.057 -6.111 1.00 0.00 C ATOM 0 HA PRO A 9 -4.385 5.998 -3.262 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.625 8.066 -5.223 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.083 7.489 -4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.541 6.681 -7.171 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.824 6.945 -6.936 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.786 4.411 -6.954 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.510 4.839 -5.831 1.00 0.00 H new ATOM 143 N GLU A 10 -7.158 5.654 -4.694 1.00 0.00 N ATOM 144 CA GLU A 10 -8.560 5.936 -4.513 1.00 0.00 C ATOM 145 C GLU A 10 -9.036 5.125 -3.344 1.00 0.00 C ATOM 146 O GLU A 10 -10.246 5.018 -3.140 1.00 0.00 O ATOM 147 CB GLU A 10 -9.470 5.607 -5.725 1.00 0.00 C ATOM 148 CG GLU A 10 -8.916 6.041 -7.093 1.00 0.00 C ATOM 149 CD GLU A 10 -7.963 4.972 -7.633 1.00 0.00 C ATOM 150 OE1 GLU A 10 -8.446 3.842 -7.915 1.00 0.00 O ATOM 151 OE2 GLU A 10 -6.745 5.265 -7.760 1.00 0.00 O ATOM 0 H GLU A 10 -6.967 4.823 -5.253 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.638 7.013 -4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.646 4.532 -5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.438 6.085 -5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.736 6.197 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.393 6.992 -6.998 1.00 0.00 H new ATOM 158 N ASN A 11 -8.074 4.564 -2.561 1.00 0.00 N ATOM 159 CA ASN A 11 -8.279 3.952 -1.267 1.00 0.00 C ATOM 160 C ASN A 11 -8.730 2.534 -1.503 1.00 0.00 C ATOM 161 O ASN A 11 -9.657 2.042 -0.862 1.00 0.00 O ATOM 162 CB ASN A 11 -9.251 4.769 -0.361 1.00 0.00 C ATOM 163 CG ASN A 11 -9.159 4.425 1.123 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.212 3.788 1.589 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.150 4.929 1.907 1.00 0.00 N ATOM 0 H ASN A 11 -7.096 4.537 -2.851 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.346 3.945 -0.704 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.044 5.831 -0.490 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.273 4.600 -0.699 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.125 4.785 2.916 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.918 5.451 1.485 1.00 0.00 H new ATOM 172 N CYS A 12 -8.067 1.848 -2.460 1.00 0.00 N ATOM 173 CA CYS A 12 -8.446 0.528 -2.928 1.00 0.00 C ATOM 174 C CYS A 12 -7.156 -0.210 -2.879 1.00 0.00 C ATOM 175 O CYS A 12 -6.173 0.311 -3.394 1.00 0.00 O ATOM 176 CB CYS A 12 -8.883 0.477 -4.427 1.00 0.00 C ATOM 177 SG CYS A 12 -10.664 0.277 -4.712 1.00 0.00 S ATOM 0 H CYS A 12 -7.239 2.218 -2.928 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.280 0.154 -2.335 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.555 1.395 -4.915 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.360 -0.347 -4.913 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.899 0.251 -5.990 1.00 0.00 H new ATOM 182 N VAL A 13 -7.108 -1.434 -2.303 1.00 0.00 N ATOM 183 CA VAL A 13 -5.866 -2.136 -2.101 1.00 0.00 C ATOM 184 C VAL A 13 -5.093 -2.445 -3.354 1.00 0.00 C ATOM 185 O VAL A 13 -5.598 -2.456 -4.478 1.00 0.00 O ATOM 186 CB VAL A 13 -5.950 -3.357 -1.193 1.00 0.00 C ATOM 187 CG1 VAL A 13 -5.896 -2.846 0.254 1.00 0.00 C ATOM 188 CG2 VAL A 13 -7.196 -4.212 -1.478 1.00 0.00 C ATOM 0 H VAL A 13 -7.932 -1.939 -1.976 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.286 -1.389 -1.559 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.113 -4.029 -1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.954 -3.691 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.961 -2.310 0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.735 -2.174 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.210 -5.070 -0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.093 -3.612 -1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.170 -4.561 -2.510 1.00 0.00 H new ATOM 198 N TYR A 14 -3.790 -2.681 -3.120 1.00 0.00 N ATOM 199 CA TYR A 14 -2.845 -3.196 -4.040 1.00 0.00 C ATOM 200 C TYR A 14 -2.655 -4.443 -3.254 1.00 0.00 C ATOM 201 O TYR A 14 -2.649 -4.340 -2.028 1.00 0.00 O ATOM 202 CB TYR A 14 -1.483 -2.440 -4.037 1.00 0.00 C ATOM 203 CG TYR A 14 -1.075 -1.898 -5.383 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.370 -2.563 -6.590 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.273 -0.745 -5.430 1.00 0.00 C ATOM 206 CE1 TYR A 14 -0.885 -2.077 -7.808 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.219 -0.263 -6.647 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.085 -0.932 -7.839 1.00 0.00 C ATOM 209 OH TYR A 14 0.420 -0.485 -9.077 1.00 0.00 O ATOM 0 H TYR A 14 -3.372 -2.493 -2.209 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.142 -3.205 -5.089 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.540 -1.615 -3.327 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.706 -3.115 -3.679 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.976 -3.457 -6.574 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.034 -0.224 -4.515 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.129 -2.588 -8.727 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.833 0.625 -6.668 1.00 0.00 H new ATOM 0 HH TYR A 14 0.958 0.323 -8.939 1.00 0.00 H new ATOM 219 N HIS A 15 -2.532 -5.622 -3.889 1.00 0.00 N ATOM 220 CA HIS A 15 -2.316 -6.841 -3.161 1.00 0.00 C ATOM 221 C HIS A 15 -0.829 -6.996 -3.054 1.00 0.00 C ATOM 222 O HIS A 15 -0.079 -6.035 -3.225 1.00 0.00 O ATOM 223 CB HIS A 15 -3.017 -8.054 -3.806 1.00 0.00 C ATOM 224 CG HIS A 15 -4.518 -7.953 -3.689 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.287 -7.163 -2.896 1.00 0.00 N flip ATOM 226 CD2 HIS A 15 -5.372 -8.777 -4.376 1.00 0.00 C flip ATOM 227 CE1 HIS A 15 -6.591 -7.505 -3.125 1.00 0.00 C flip ATOM 228 NE2 HIS A 15 -6.616 -8.476 -4.025 1.00 0.00 N flip ATOM 0 H HIS A 15 -2.581 -5.735 -4.902 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.766 -6.793 -2.169 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.737 -8.121 -4.857 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.675 -8.971 -3.326 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -4.954 -6.448 -2.250 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.082 -9.541 -5.082 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.454 -7.059 -2.652 1.00 0.00 H new ATOM 237 N CYS A 16 -0.341 -8.204 -2.748 1.00 0.00 N ATOM 238 CA CYS A 16 1.030 -8.422 -2.466 1.00 0.00 C ATOM 239 C CYS A 16 1.109 -9.823 -2.956 1.00 0.00 C ATOM 240 O CYS A 16 0.074 -10.412 -3.280 1.00 0.00 O ATOM 241 CB CYS A 16 1.339 -8.336 -0.951 1.00 0.00 C ATOM 242 SG CYS A 16 3.111 -8.307 -0.556 1.00 0.00 S ATOM 0 H CYS A 16 -0.914 -9.046 -2.696 1.00 0.00 H new ATOM 0 HA CYS A 16 1.727 -7.708 -2.904 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.873 -7.438 -0.547 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.880 -9.187 -0.449 1.00 0.00 H new ATOM 247 N PHE A 17 2.320 -10.382 -3.030 1.00 0.00 N ATOM 248 CA PHE A 17 2.577 -11.692 -3.510 1.00 0.00 C ATOM 249 C PHE A 17 3.355 -12.144 -2.316 1.00 0.00 C ATOM 250 O PHE A 17 4.287 -11.397 -2.020 1.00 0.00 O ATOM 251 CB PHE A 17 3.513 -11.672 -4.744 1.00 0.00 C ATOM 252 CG PHE A 17 2.904 -10.863 -5.862 1.00 0.00 C ATOM 253 CD1 PHE A 17 2.054 -11.478 -6.796 1.00 0.00 C ATOM 254 CD2 PHE A 17 3.166 -9.484 -5.994 1.00 0.00 C ATOM 255 CE1 PHE A 17 1.493 -10.744 -7.849 1.00 0.00 C ATOM 256 CE2 PHE A 17 2.607 -8.746 -7.043 1.00 0.00 C ATOM 257 CZ PHE A 17 1.773 -9.378 -7.973 1.00 0.00 C ATOM 0 H PHE A 17 3.166 -9.892 -2.739 1.00 0.00 H new ATOM 0 HA PHE A 17 1.710 -12.274 -3.823 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.479 -11.250 -4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.696 -12.691 -5.084 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.830 -12.530 -6.701 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.806 -8.991 -5.277 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.846 -11.231 -8.564 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.818 -7.691 -7.135 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.345 -8.811 -8.787 1.00 0.00 H new ATOM 267 N PRO A 18 3.049 -13.215 -1.583 1.00 0.00 N ATOM 268 CA PRO A 18 3.673 -13.501 -0.297 1.00 0.00 C ATOM 269 C PRO A 18 5.186 -13.589 -0.279 1.00 0.00 C ATOM 270 O PRO A 18 5.741 -14.647 -0.575 1.00 0.00 O ATOM 271 CB PRO A 18 3.034 -14.839 0.090 1.00 0.00 C ATOM 272 CG PRO A 18 1.585 -14.714 -0.399 1.00 0.00 C ATOM 273 CD PRO A 18 1.681 -13.750 -1.592 1.00 0.00 C ATOM 0 HA PRO A 18 3.501 -12.677 0.396 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.544 -15.677 -0.385 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.079 -15.006 1.166 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.179 -15.681 -0.698 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.932 -14.321 0.381 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.473 -14.268 -2.528 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.949 -12.947 -1.503 1.00 0.00 H new ATOM 281 N GLY A 19 5.866 -12.486 0.091 1.00 0.00 N ATOM 282 CA GLY A 19 7.285 -12.399 0.122 1.00 0.00 C ATOM 283 C GLY A 19 7.404 -10.919 0.085 1.00 0.00 C ATOM 284 O GLY A 19 6.434 -10.226 0.399 1.00 0.00 O ATOM 0 H GLY A 19 5.403 -11.624 0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.718 -12.838 1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.759 -12.885 -0.731 1.00 0.00 H new ATOM 288 N SER A 20 8.573 -10.393 -0.321 1.00 0.00 N ATOM 289 CA SER A 20 8.739 -8.994 -0.581 1.00 0.00 C ATOM 290 C SER A 20 8.512 -8.778 -2.059 1.00 0.00 C ATOM 291 O SER A 20 7.818 -7.850 -2.462 1.00 0.00 O ATOM 292 CB SER A 20 10.158 -8.536 -0.153 1.00 0.00 C ATOM 293 OG SER A 20 11.166 -9.461 -0.563 1.00 0.00 O ATOM 0 H SER A 20 9.417 -10.946 -0.472 1.00 0.00 H new ATOM 0 HA SER A 20 8.026 -8.402 -0.008 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.368 -7.557 -0.584 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.190 -8.421 0.930 1.00 0.00 H new ATOM 0 HG SER A 20 12.045 -9.136 -0.276 1.00 0.00 H new ATOM 299 N SER A 21 9.082 -9.664 -2.903 1.00 0.00 N ATOM 300 CA SER A 21 9.546 -9.457 -4.252 1.00 0.00 C ATOM 301 C SER A 21 8.717 -8.585 -5.168 1.00 0.00 C ATOM 302 O SER A 21 9.179 -7.539 -5.642 1.00 0.00 O ATOM 303 CB SER A 21 9.781 -10.853 -4.880 1.00 0.00 C ATOM 304 OG SER A 21 10.233 -11.751 -3.862 1.00 0.00 O ATOM 0 H SER A 21 9.234 -10.629 -2.609 1.00 0.00 H new ATOM 0 HA SER A 21 10.456 -8.864 -4.156 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.859 -11.225 -5.328 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.519 -10.787 -5.679 1.00 0.00 H new ATOM 0 HG SER A 21 10.383 -12.638 -4.251 1.00 0.00 H new ATOM 310 N GLY A 22 7.463 -8.995 -5.445 1.00 0.00 N ATOM 311 CA GLY A 22 6.642 -8.313 -6.417 1.00 0.00 C ATOM 312 C GLY A 22 6.184 -6.985 -5.897 1.00 0.00 C ATOM 313 O GLY A 22 6.158 -6.000 -6.631 1.00 0.00 O ATOM 0 H GLY A 22 7.014 -9.796 -5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.206 -8.171 -7.339 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.777 -8.929 -6.664 1.00 0.00 H new ATOM 317 N CYS A 23 5.823 -6.901 -4.595 1.00 0.00 N ATOM 318 CA CYS A 23 5.317 -5.652 -4.084 1.00 0.00 C ATOM 319 C CYS A 23 6.468 -4.765 -3.712 1.00 0.00 C ATOM 320 O CYS A 23 6.341 -3.552 -3.787 1.00 0.00 O ATOM 321 CB CYS A 23 4.338 -5.753 -2.897 1.00 0.00 C ATOM 322 SG CYS A 23 3.442 -4.178 -2.695 1.00 0.00 S ATOM 0 H CYS A 23 5.877 -7.663 -3.919 1.00 0.00 H new ATOM 0 HA CYS A 23 4.724 -5.234 -4.897 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.630 -6.565 -3.066 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.884 -5.991 -1.984 1.00 0.00 H new ATOM 327 N ASP A 24 7.637 -5.323 -3.328 1.00 0.00 N ATOM 328 CA ASP A 24 8.823 -4.543 -3.035 1.00 0.00 C ATOM 329 C ASP A 24 9.239 -3.776 -4.258 1.00 0.00 C ATOM 330 O ASP A 24 9.495 -2.577 -4.191 1.00 0.00 O ATOM 331 CB ASP A 24 10.008 -5.419 -2.554 1.00 0.00 C ATOM 332 CG ASP A 24 11.214 -4.588 -2.095 1.00 0.00 C ATOM 333 OD1 ASP A 24 11.066 -3.822 -1.106 1.00 0.00 O ATOM 334 OD2 ASP A 24 12.295 -4.714 -2.729 1.00 0.00 O ATOM 0 H ASP A 24 7.768 -6.329 -3.217 1.00 0.00 H new ATOM 0 HA ASP A 24 8.567 -3.862 -2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.675 -6.053 -1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.316 -6.082 -3.363 1.00 0.00 H new ATOM 339 N THR A 25 9.275 -4.446 -5.423 1.00 0.00 N ATOM 340 CA THR A 25 9.649 -3.795 -6.652 1.00 0.00 C ATOM 341 C THR A 25 8.617 -2.756 -7.077 1.00 0.00 C ATOM 342 O THR A 25 8.989 -1.661 -7.499 1.00 0.00 O ATOM 343 CB THR A 25 10.007 -4.785 -7.746 1.00 0.00 C ATOM 344 OG1 THR A 25 9.097 -5.883 -7.815 1.00 0.00 O ATOM 345 CG2 THR A 25 11.427 -5.329 -7.480 1.00 0.00 C ATOM 0 H THR A 25 9.047 -5.435 -5.520 1.00 0.00 H new ATOM 0 HA THR A 25 10.568 -3.241 -6.461 1.00 0.00 H new ATOM 0 HB THR A 25 9.954 -4.256 -8.698 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.281 -6.507 -7.082 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.696 -6.042 -8.260 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.139 -4.504 -7.482 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.450 -5.826 -6.510 1.00 0.00 H new ATOM 353 N LEU A 26 7.299 -3.029 -6.907 1.00 0.00 N ATOM 354 CA LEU A 26 6.256 -2.036 -7.127 1.00 0.00 C ATOM 355 C LEU A 26 6.389 -0.889 -6.166 1.00 0.00 C ATOM 356 O LEU A 26 6.350 0.278 -6.545 1.00 0.00 O ATOM 357 CB LEU A 26 4.823 -2.594 -6.918 1.00 0.00 C ATOM 358 CG LEU A 26 4.364 -3.562 -8.029 1.00 0.00 C ATOM 359 CD1 LEU A 26 3.180 -4.431 -7.563 1.00 0.00 C ATOM 360 CD2 LEU A 26 4.007 -2.794 -9.317 1.00 0.00 C ATOM 0 H LEU A 26 6.947 -3.941 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 26 6.389 -1.725 -8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.780 -3.110 -5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.123 -1.760 -6.863 1.00 0.00 H new ATOM 0 HG LEU A 26 5.198 -4.228 -8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.881 -5.101 -8.369 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.479 -5.018 -6.695 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.341 -3.789 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.687 -3.499 -10.084 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.200 -2.092 -9.110 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.882 -2.248 -9.669 1.00 0.00 H new ATOM 372 N CYS A 27 6.568 -1.170 -4.866 1.00 0.00 N ATOM 373 CA CYS A 27 6.618 -0.123 -3.875 1.00 0.00 C ATOM 374 C CYS A 27 7.829 0.742 -4.073 1.00 0.00 C ATOM 375 O CYS A 27 7.762 1.948 -3.853 1.00 0.00 O ATOM 376 CB CYS A 27 6.578 -0.619 -2.415 1.00 0.00 C ATOM 377 SG CYS A 27 5.871 0.672 -1.362 1.00 0.00 S ATOM 0 H CYS A 27 6.678 -2.113 -4.494 1.00 0.00 H new ATOM 0 HA CYS A 27 5.706 0.453 -4.031 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.982 -1.529 -2.344 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.583 -0.870 -2.077 1.00 0.00 H new ATOM 382 N LYS A 28 8.943 0.162 -4.561 1.00 0.00 N ATOM 383 CA LYS A 28 10.140 0.902 -4.872 1.00 0.00 C ATOM 384 C LYS A 28 9.913 1.869 -6.014 1.00 0.00 C ATOM 385 O LYS A 28 10.456 2.973 -5.998 1.00 0.00 O ATOM 386 CB LYS A 28 11.320 -0.050 -5.175 1.00 0.00 C ATOM 387 CG LYS A 28 12.693 0.637 -5.275 1.00 0.00 C ATOM 388 CD LYS A 28 13.870 -0.341 -5.125 1.00 0.00 C ATOM 389 CE LYS A 28 13.904 -1.457 -6.180 1.00 0.00 C ATOM 390 NZ LYS A 28 15.068 -2.348 -5.966 1.00 0.00 N ATOM 0 H LYS A 28 9.019 -0.839 -4.745 1.00 0.00 H new ATOM 0 HA LYS A 28 10.400 1.490 -3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.365 -0.810 -4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.119 -0.568 -6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.770 1.143 -6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.766 1.404 -4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.803 0.221 -5.177 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.826 -0.795 -4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.983 -2.037 -6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.954 -1.020 -7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.071 -3.095 -6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.946 -1.795 -6.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.005 -2.781 -5.022 1.00 0.00 H new ATOM 404 N GLU A 29 9.073 1.504 -7.018 1.00 0.00 N ATOM 405 CA GLU A 29 8.763 2.407 -8.112 1.00 0.00 C ATOM 406 C GLU A 29 7.787 3.480 -7.674 1.00 0.00 C ATOM 407 O GLU A 29 7.877 4.619 -8.127 1.00 0.00 O ATOM 408 CB GLU A 29 8.308 1.715 -9.433 1.00 0.00 C ATOM 409 CG GLU A 29 6.829 1.298 -9.560 1.00 0.00 C ATOM 410 CD GLU A 29 6.531 0.624 -10.904 1.00 0.00 C ATOM 411 OE1 GLU A 29 7.458 0.488 -11.744 1.00 0.00 O ATOM 412 OE2 GLU A 29 5.350 0.227 -11.094 1.00 0.00 O ATOM 0 H GLU A 29 8.612 0.596 -7.075 1.00 0.00 H new ATOM 0 HA GLU A 29 9.712 2.877 -8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.537 2.389 -10.259 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.919 0.823 -9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.575 0.616 -8.749 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.194 2.177 -9.448 1.00 0.00 H new ATOM 419 N LYS A 30 6.839 3.150 -6.757 1.00 0.00 N ATOM 420 CA LYS A 30 5.870 4.097 -6.226 1.00 0.00 C ATOM 421 C LYS A 30 6.540 5.068 -5.286 1.00 0.00 C ATOM 422 O LYS A 30 6.256 6.266 -5.303 1.00 0.00 O ATOM 423 CB LYS A 30 4.703 3.422 -5.456 1.00 0.00 C ATOM 424 CG LYS A 30 3.828 2.484 -6.314 1.00 0.00 C ATOM 425 CD LYS A 30 3.024 3.142 -7.453 1.00 0.00 C ATOM 426 CE LYS A 30 1.631 3.661 -7.053 1.00 0.00 C ATOM 427 NZ LYS A 30 1.693 4.796 -6.105 1.00 0.00 N ATOM 0 H LYS A 30 6.740 2.210 -6.375 1.00 0.00 H new ATOM 0 HA LYS A 30 5.457 4.607 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.115 2.852 -4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.069 4.199 -5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.472 1.720 -6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.128 1.972 -5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.604 3.974 -7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.907 2.418 -8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.092 3.971 -7.949 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.061 2.848 -6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.771 5.276 -6.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.927 4.443 -5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.424 5.467 -6.415 1.00 0.00 H new ATOM 441 N GLY A 31 7.472 4.550 -4.461 1.00 0.00 N ATOM 442 CA GLY A 31 8.454 5.351 -3.778 1.00 0.00 C ATOM 443 C GLY A 31 8.466 5.053 -2.316 1.00 0.00 C ATOM 444 O GLY A 31 8.539 5.977 -1.509 1.00 0.00 O ATOM 0 H GLY A 31 7.548 3.552 -4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.441 5.160 -4.200 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.239 6.408 -3.935 1.00 0.00 H new ATOM 448 N GLY A 32 8.406 3.760 -1.928 1.00 0.00 N ATOM 449 CA GLY A 32 8.624 3.325 -0.570 1.00 0.00 C ATOM 450 C GLY A 32 9.914 2.577 -0.593 1.00 0.00 C ATOM 451 O GLY A 32 10.219 1.903 -1.575 1.00 0.00 O ATOM 0 H GLY A 32 8.201 2.996 -2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.675 4.175 0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.808 2.690 -0.226 1.00 0.00 H new ATOM 455 N THR A 33 10.718 2.663 0.490 1.00 0.00 N ATOM 456 CA THR A 33 12.060 2.126 0.503 1.00 0.00 C ATOM 457 C THR A 33 12.049 0.712 1.029 1.00 0.00 C ATOM 458 O THR A 33 13.090 0.081 1.215 1.00 0.00 O ATOM 459 CB THR A 33 12.990 2.979 1.349 1.00 0.00 C ATOM 460 OG1 THR A 33 12.339 3.385 2.550 1.00 0.00 O ATOM 461 CG2 THR A 33 13.367 4.236 0.542 1.00 0.00 C ATOM 0 H THR A 33 10.440 3.107 1.365 1.00 0.00 H new ATOM 0 HA THR A 33 12.430 2.131 -0.522 1.00 0.00 H new ATOM 0 HB THR A 33 13.877 2.399 1.605 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.951 3.932 3.085 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.035 4.862 1.134 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.868 3.940 -0.379 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.464 4.797 0.300 1.00 0.00 H new ATOM 469 N SER A 34 10.860 0.155 1.298 1.00 0.00 N ATOM 470 CA SER A 34 10.737 -1.245 1.555 1.00 0.00 C ATOM 471 C SER A 34 9.309 -1.469 1.222 1.00 0.00 C ATOM 472 O SER A 34 8.530 -0.512 1.261 1.00 0.00 O ATOM 473 CB SER A 34 11.004 -1.647 3.022 1.00 0.00 C ATOM 474 OG SER A 34 12.331 -1.288 3.390 1.00 0.00 O ATOM 0 H SER A 34 9.982 0.672 1.338 1.00 0.00 H new ATOM 0 HA SER A 34 11.463 -1.832 0.992 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.289 -1.152 3.679 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.861 -2.721 3.146 1.00 0.00 H new ATOM 0 HG SER A 34 12.830 -1.017 2.591 1.00 0.00 H new ATOM 480 N GLY A 35 8.940 -2.718 0.883 1.00 0.00 N ATOM 481 CA GLY A 35 7.612 -3.066 0.513 1.00 0.00 C ATOM 482 C GLY A 35 7.654 -4.484 0.927 1.00 0.00 C ATOM 483 O GLY A 35 8.699 -5.126 0.801 1.00 0.00 O ATOM 0 H GLY A 35 9.588 -3.505 0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.856 -2.489 1.045 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.419 -2.938 -0.552 1.00 0.00 H new ATOM 487 N HIS A 36 6.553 -4.990 1.501 1.00 0.00 N ATOM 488 CA HIS A 36 6.527 -6.265 2.146 1.00 0.00 C ATOM 489 C HIS A 36 5.060 -6.528 2.123 1.00 0.00 C ATOM 490 O HIS A 36 4.302 -5.651 1.707 1.00 0.00 O ATOM 491 CB HIS A 36 7.051 -6.181 3.607 1.00 0.00 C ATOM 492 CG HIS A 36 6.992 -7.465 4.394 1.00 0.00 C ATOM 493 ND1 HIS A 36 6.403 -7.545 5.627 1.00 0.00 N ATOM 494 CD2 HIS A 36 7.479 -8.693 4.103 1.00 0.00 C ATOM 495 CE1 HIS A 36 6.520 -8.791 6.065 1.00 0.00 C ATOM 496 NE2 HIS A 36 7.169 -9.510 5.158 1.00 0.00 N ATOM 0 H HIS A 36 5.657 -4.502 1.518 1.00 0.00 H new ATOM 0 HA HIS A 36 7.150 -7.027 1.678 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.085 -5.837 3.584 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.475 -5.423 4.138 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.012 -8.976 3.207 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.147 -9.161 7.008 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.398 -10.501 5.233 1.00 0.00 H new ATOM 505 N CYS A 37 4.595 -7.709 2.572 1.00 0.00 N ATOM 506 CA CYS A 37 3.177 -7.967 2.624 1.00 0.00 C ATOM 507 C CYS A 37 2.711 -7.647 4.004 1.00 0.00 C ATOM 508 O CYS A 37 3.458 -7.143 4.843 1.00 0.00 O ATOM 509 CB CYS A 37 2.773 -9.420 2.272 1.00 0.00 C ATOM 510 SG CYS A 37 3.350 -9.932 0.632 1.00 0.00 S ATOM 0 H CYS A 37 5.184 -8.477 2.895 1.00 0.00 H new ATOM 0 HA CYS A 37 2.707 -7.342 1.865 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.180 -10.097 3.023 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.688 -9.511 2.315 1.00 0.00 H new ATOM 515 N GLY A 38 1.428 -7.933 4.256 1.00 0.00 N ATOM 516 CA GLY A 38 0.769 -7.731 5.494 1.00 0.00 C ATOM 517 C GLY A 38 -0.576 -8.178 5.035 1.00 0.00 C ATOM 518 O GLY A 38 -0.679 -8.759 3.950 1.00 0.00 O ATOM 0 H GLY A 38 0.814 -8.331 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.174 -8.338 6.304 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.789 -6.695 5.831 1.00 0.00 H new ATOM 522 N PHE A 39 -1.635 -7.907 5.817 1.00 0.00 N ATOM 523 CA PHE A 39 -2.993 -8.164 5.449 1.00 0.00 C ATOM 524 C PHE A 39 -3.570 -6.963 6.123 1.00 0.00 C ATOM 525 O PHE A 39 -3.094 -6.631 7.217 1.00 0.00 O ATOM 526 CB PHE A 39 -3.537 -9.476 6.079 1.00 0.00 C ATOM 527 CG PHE A 39 -4.794 -9.980 5.416 1.00 0.00 C ATOM 528 CD1 PHE A 39 -4.708 -10.871 4.331 1.00 0.00 C ATOM 529 CD2 PHE A 39 -6.064 -9.645 5.916 1.00 0.00 C ATOM 530 CE1 PHE A 39 -5.862 -11.435 3.773 1.00 0.00 C ATOM 531 CE2 PHE A 39 -7.221 -10.208 5.362 1.00 0.00 C ATOM 532 CZ PHE A 39 -7.120 -11.107 4.291 1.00 0.00 C ATOM 0 H PHE A 39 -1.542 -7.492 6.744 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.196 -8.297 4.386 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.768 -10.246 6.017 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.735 -9.307 7.137 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.740 -11.123 3.923 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.149 -8.947 6.735 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.781 -12.122 2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.191 -9.949 5.760 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.011 -11.545 3.867 1.00 0.00 H new ATOM 542 N LYS A 40 -4.536 -6.272 5.480 1.00 0.00 N ATOM 543 CA LYS A 40 -5.154 -5.090 6.022 1.00 0.00 C ATOM 544 C LYS A 40 -6.587 -5.481 6.086 1.00 0.00 C ATOM 545 O LYS A 40 -7.297 -5.462 5.078 1.00 0.00 O ATOM 546 CB LYS A 40 -5.013 -3.821 5.141 1.00 0.00 C ATOM 547 CG LYS A 40 -5.866 -2.603 5.567 1.00 0.00 C ATOM 548 CD LYS A 40 -5.690 -2.158 7.031 1.00 0.00 C ATOM 549 CE LYS A 40 -6.487 -0.899 7.404 1.00 0.00 C ATOM 550 NZ LYS A 40 -7.946 -1.129 7.282 1.00 0.00 N ATOM 0 H LYS A 40 -4.897 -6.539 4.564 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.689 -4.811 6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.965 -3.521 5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.276 -4.083 4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.621 -1.763 4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.917 -2.839 5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.993 -2.974 7.687 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.632 -1.974 7.219 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.247 -0.604 8.426 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.191 -0.074 6.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.449 -0.545 7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.259 -0.870 6.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.155 -2.133 7.455 1.00 0.00 H new ATOM 564 N VAL A 41 -7.044 -5.866 7.295 1.00 0.00 N ATOM 565 CA VAL A 41 -8.374 -6.364 7.513 1.00 0.00 C ATOM 566 C VAL A 41 -9.321 -5.214 7.302 1.00 0.00 C ATOM 567 O VAL A 41 -9.050 -4.099 7.743 1.00 0.00 O ATOM 568 CB VAL A 41 -8.589 -6.975 8.894 1.00 0.00 C ATOM 569 CG1 VAL A 41 -9.694 -8.047 8.792 1.00 0.00 C ATOM 570 CG2 VAL A 41 -7.271 -7.581 9.425 1.00 0.00 C ATOM 0 H VAL A 41 -6.477 -5.831 8.142 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.552 -7.178 6.810 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.901 -6.204 9.599 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.859 -8.494 9.772 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.618 -7.585 8.443 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.387 -8.821 8.088 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.441 -8.013 10.411 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.927 -8.358 8.743 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.514 -6.800 9.496 1.00 0.00 H new ATOM 580 N GLY A 42 -10.409 -5.462 6.549 1.00 0.00 N ATOM 581 CA GLY A 42 -11.306 -4.427 6.116 1.00 0.00 C ATOM 582 C GLY A 42 -11.205 -4.393 4.628 1.00 0.00 C ATOM 583 O GLY A 42 -12.197 -4.178 3.941 1.00 0.00 O ATOM 0 H GLY A 42 -10.673 -6.396 6.234 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.327 -4.638 6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.030 -3.465 6.548 1.00 0.00 H new ATOM 587 N HIS A 43 -9.988 -4.611 4.081 1.00 0.00 N ATOM 588 CA HIS A 43 -9.802 -4.714 2.656 1.00 0.00 C ATOM 589 C HIS A 43 -9.568 -6.162 2.370 1.00 0.00 C ATOM 590 O HIS A 43 -10.402 -6.818 1.751 1.00 0.00 O ATOM 591 CB HIS A 43 -8.618 -3.882 2.129 1.00 0.00 C ATOM 592 CG HIS A 43 -8.902 -2.401 2.095 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.260 -1.731 0.950 1.00 0.00 N ATOM 594 CD2 HIS A 43 -8.821 -1.477 3.081 1.00 0.00 C ATOM 595 CE1 HIS A 43 -9.366 -0.440 1.235 1.00 0.00 C ATOM 596 NE2 HIS A 43 -9.114 -0.260 2.523 1.00 0.00 N ATOM 0 H HIS A 43 -9.132 -4.716 4.625 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.684 -4.318 2.152 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.746 -4.064 2.757 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.363 -4.220 1.124 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -9.418 -2.155 0.036 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.572 -1.664 4.115 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.617 0.339 0.530 1.00 0.00 H new ATOM 605 N GLY A 44 -8.434 -6.715 2.837 1.00 0.00 N ATOM 606 CA GLY A 44 -8.079 -8.060 2.514 1.00 0.00 C ATOM 607 C GLY A 44 -6.598 -8.049 2.531 1.00 0.00 C ATOM 608 O GLY A 44 -5.974 -7.333 3.318 1.00 0.00 O ATOM 0 H GLY A 44 -7.765 -6.231 3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.482 -8.765 3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.466 -8.352 1.538 1.00 0.00 H new ATOM 612 N LEU A 45 -6.002 -8.821 1.600 1.00 0.00 N ATOM 613 CA LEU A 45 -4.587 -8.848 1.330 1.00 0.00 C ATOM 614 C LEU A 45 -4.265 -7.484 0.790 1.00 0.00 C ATOM 615 O LEU A 45 -5.035 -6.936 0.004 1.00 0.00 O ATOM 616 CB LEU A 45 -4.272 -9.959 0.293 1.00 0.00 C ATOM 617 CG LEU A 45 -2.820 -10.078 -0.232 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.769 -10.378 0.856 1.00 0.00 C ATOM 619 CD2 LEU A 45 -2.767 -11.146 -1.344 1.00 0.00 C ATOM 0 H LEU A 45 -6.530 -9.459 1.004 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.992 -9.070 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.545 -10.916 0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.926 -9.808 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.551 -9.097 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.781 -10.444 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.773 -9.578 1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.008 -11.324 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.746 -11.233 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.090 -12.106 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.428 -10.854 -2.160 1.00 0.00 H new ATOM 631 N ALA A 46 -3.163 -6.869 1.243 1.00 0.00 N ATOM 632 CA ALA A 46 -2.887 -5.497 0.986 1.00 0.00 C ATOM 633 C ALA A 46 -1.419 -5.555 1.119 1.00 0.00 C ATOM 634 O ALA A 46 -0.914 -6.611 1.512 1.00 0.00 O ATOM 635 CB ALA A 46 -3.466 -4.530 2.029 1.00 0.00 C ATOM 0 H ALA A 46 -2.448 -7.337 1.800 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.305 -5.128 0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.210 -3.506 1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.550 -4.636 2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.050 -4.760 3.010 1.00 0.00 H new ATOM 641 N CYS A 47 -0.686 -4.472 0.804 1.00 0.00 N ATOM 642 CA CYS A 47 0.754 -4.590 0.802 1.00 0.00 C ATOM 643 C CYS A 47 1.173 -3.619 1.848 1.00 0.00 C ATOM 644 O CYS A 47 0.386 -2.754 2.209 1.00 0.00 O ATOM 645 CB CYS A 47 1.326 -4.321 -0.608 1.00 0.00 C ATOM 646 SG CYS A 47 3.121 -4.077 -0.721 1.00 0.00 S ATOM 0 H CYS A 47 -1.058 -3.554 0.561 1.00 0.00 H new ATOM 0 HA CYS A 47 1.132 -5.587 1.030 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.054 -5.158 -1.252 1.00 0.00 H new ATOM 0 HB3 CYS A 47 0.835 -3.436 -1.012 1.00 0.00 H new ATOM 651 N TRP A 48 2.390 -3.749 2.403 1.00 0.00 N ATOM 652 CA TRP A 48 2.863 -2.909 3.471 1.00 0.00 C ATOM 653 C TRP A 48 4.062 -2.240 2.877 1.00 0.00 C ATOM 654 O TRP A 48 4.747 -2.868 2.075 1.00 0.00 O ATOM 655 CB TRP A 48 3.233 -3.747 4.731 1.00 0.00 C ATOM 656 CG TRP A 48 3.967 -2.981 5.815 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.308 -2.737 5.878 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.359 -2.204 6.862 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.578 -1.805 6.847 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.397 -1.464 7.473 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.039 -2.075 7.278 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.122 -0.569 8.504 1.00 0.00 C ATOM 663 CZ3 TRP A 48 1.766 -1.190 8.331 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.791 -0.445 8.933 1.00 0.00 C ATOM 0 H TRP A 48 3.066 -4.453 2.106 1.00 0.00 H new ATOM 0 HA TRP A 48 2.114 -2.198 3.820 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.318 -4.161 5.155 1.00 0.00 H new ATOM 0 HB3 TRP A 48 3.851 -4.590 4.420 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.051 -3.211 5.254 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.499 -1.427 7.068 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.248 -2.639 6.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.910 0.013 8.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.751 -1.080 8.684 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.553 0.234 9.738 1.00 0.00 H new ATOM 675 N CYS A 49 4.353 -0.967 3.242 1.00 0.00 N ATOM 676 CA CYS A 49 5.563 -0.322 2.801 1.00 0.00 C ATOM 677 C CYS A 49 5.993 0.578 3.904 1.00 0.00 C ATOM 678 O CYS A 49 5.172 0.996 4.723 1.00 0.00 O ATOM 679 CB CYS A 49 5.421 0.580 1.563 1.00 0.00 C ATOM 680 SG CYS A 49 4.942 -0.350 0.092 1.00 0.00 S ATOM 0 H CYS A 49 3.757 -0.391 3.836 1.00 0.00 H new ATOM 0 HA CYS A 49 6.255 -1.122 2.539 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.677 1.351 1.761 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.366 1.090 1.377 1.00 0.00 H new ATOM 685 N ASN A 50 7.299 0.916 3.915 1.00 0.00 N ATOM 686 CA ASN A 50 7.865 1.838 4.863 1.00 0.00 C ATOM 687 C ASN A 50 8.386 2.973 4.041 1.00 0.00 C ATOM 688 O ASN A 50 8.991 2.752 2.990 1.00 0.00 O ATOM 689 CB ASN A 50 9.063 1.280 5.680 1.00 0.00 C ATOM 690 CG ASN A 50 8.571 0.488 6.898 1.00 0.00 C ATOM 691 OD1 ASN A 50 7.960 -0.580 6.774 1.00 0.00 O ATOM 692 ND2 ASN A 50 8.845 1.031 8.122 1.00 0.00 N ATOM 0 H ASN A 50 7.978 0.542 3.252 1.00 0.00 H new ATOM 0 HA ASN A 50 7.093 2.094 5.589 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.674 0.638 5.046 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.699 2.102 6.008 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.543 0.553 8.971 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.351 1.914 8.186 1.00 0.00 H new ATOM 699 N ALA A 51 8.167 4.209 4.550 1.00 0.00 N ATOM 700 CA ALA A 51 8.651 5.475 4.054 1.00 0.00 C ATOM 701 C ALA A 51 8.089 5.790 2.706 1.00 0.00 C ATOM 702 O ALA A 51 8.827 5.948 1.737 1.00 0.00 O ATOM 703 CB ALA A 51 10.182 5.637 4.050 1.00 0.00 C ATOM 0 H ALA A 51 7.598 4.332 5.387 1.00 0.00 H new ATOM 0 HA ALA A 51 8.285 6.201 4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.443 6.621 3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.561 5.538 5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.628 4.867 3.420 1.00 0.00 H new ATOM 709 N LEU A 52 6.749 5.922 2.631 1.00 0.00 N ATOM 710 CA LEU A 52 6.096 6.390 1.432 1.00 0.00 C ATOM 711 C LEU A 52 5.903 7.860 1.673 1.00 0.00 C ATOM 712 O LEU A 52 5.474 8.204 2.772 1.00 0.00 O ATOM 713 CB LEU A 52 4.706 5.759 1.165 1.00 0.00 C ATOM 714 CG LEU A 52 4.789 4.340 0.561 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.454 3.594 0.685 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.220 4.369 -0.914 1.00 0.00 C ATOM 0 H LEU A 52 6.113 5.706 3.399 1.00 0.00 H new ATOM 0 HA LEU A 52 6.703 6.128 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.147 5.717 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.146 6.403 0.488 1.00 0.00 H new ATOM 0 HG LEU A 52 5.547 3.808 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.551 2.600 0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.184 3.504 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.678 4.147 0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.266 3.351 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.497 4.944 -1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.203 4.833 -0.997 1.00 0.00 H new ATOM 728 N PRO A 53 6.204 8.768 0.757 1.00 0.00 N ATOM 729 CA PRO A 53 6.048 10.185 1.004 1.00 0.00 C ATOM 730 C PRO A 53 4.590 10.555 0.943 1.00 0.00 C ATOM 731 O PRO A 53 3.747 9.725 0.611 1.00 0.00 O ATOM 732 CB PRO A 53 6.861 10.862 -0.112 1.00 0.00 C ATOM 733 CG PRO A 53 6.939 9.829 -1.243 1.00 0.00 C ATOM 734 CD PRO A 53 6.873 8.489 -0.513 1.00 0.00 C ATOM 0 HA PRO A 53 6.397 10.494 1.989 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.377 11.779 -0.450 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.856 11.137 0.238 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.115 9.943 -1.947 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.862 9.929 -1.814 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.319 7.752 -1.095 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.871 8.082 -0.350 1.00 0.00 H new ATOM 742 N ASP A 54 4.276 11.813 1.275 1.00 0.00 N ATOM 743 CA ASP A 54 2.923 12.265 1.476 1.00 0.00 C ATOM 744 C ASP A 54 2.150 12.428 0.191 1.00 0.00 C ATOM 745 O ASP A 54 0.957 12.716 0.221 1.00 0.00 O ATOM 746 CB ASP A 54 2.910 13.635 2.180 1.00 0.00 C ATOM 747 CG ASP A 54 3.628 13.546 3.530 1.00 0.00 C ATOM 748 OD1 ASP A 54 3.139 12.798 4.419 1.00 0.00 O ATOM 749 OD2 ASP A 54 4.685 14.215 3.682 1.00 0.00 O ATOM 0 H ASP A 54 4.975 12.544 1.410 1.00 0.00 H new ATOM 0 HA ASP A 54 2.450 11.491 2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.397 14.380 1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.882 13.966 2.328 1.00 0.00 H new ATOM 754 N ASN A 55 2.800 12.258 -0.980 1.00 0.00 N ATOM 755 CA ASN A 55 2.150 12.429 -2.263 1.00 0.00 C ATOM 756 C ASN A 55 1.574 11.121 -2.726 1.00 0.00 C ATOM 757 O ASN A 55 0.972 11.060 -3.796 1.00 0.00 O ATOM 758 CB ASN A 55 3.085 12.983 -3.378 1.00 0.00 C ATOM 759 CG ASN A 55 4.340 12.116 -3.558 1.00 0.00 C ATOM 760 OD1 ASN A 55 5.158 12.066 -2.634 1.00 0.00 O ATOM 761 ND2 ASN A 55 4.483 11.434 -4.727 1.00 0.00 N ATOM 0 H ASN A 55 3.785 12.000 -1.045 1.00 0.00 H new ATOM 0 HA ASN A 55 1.369 13.172 -2.101 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.538 13.030 -4.320 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.381 14.002 -3.130 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.300 10.842 -4.875 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.773 11.515 -5.455 1.00 0.00 H new ATOM 768 N VAL A 56 1.754 10.042 -1.936 1.00 0.00 N ATOM 769 CA VAL A 56 1.235 8.741 -2.256 1.00 0.00 C ATOM 770 C VAL A 56 -0.032 8.684 -1.450 1.00 0.00 C ATOM 771 O VAL A 56 -0.141 9.329 -0.410 1.00 0.00 O ATOM 772 CB VAL A 56 2.207 7.603 -1.925 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.844 6.341 -2.738 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.643 8.088 -2.234 1.00 0.00 C ATOM 0 H VAL A 56 2.270 10.073 -1.057 1.00 0.00 H new ATOM 0 HA VAL A 56 1.068 8.604 -3.324 1.00 0.00 H new ATOM 0 HB VAL A 56 2.141 7.336 -0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.541 5.539 -2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.830 6.028 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.905 6.564 -3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.353 7.293 -2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.719 8.350 -3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.870 8.963 -1.625 1.00 0.00 H new ATOM 784 N GLY A 57 -1.031 7.913 -1.910 1.00 0.00 N ATOM 785 CA GLY A 57 -2.268 7.722 -1.212 1.00 0.00 C ATOM 786 C GLY A 57 -2.240 6.245 -1.103 1.00 0.00 C ATOM 787 O GLY A 57 -1.579 5.597 -1.918 1.00 0.00 O ATOM 0 H GLY A 57 -0.980 7.406 -2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.285 8.217 -0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.129 8.088 -1.771 1.00 0.00 H new ATOM 791 N ILE A 58 -2.904 5.690 -0.076 1.00 0.00 N ATOM 792 CA ILE A 58 -2.703 4.348 0.378 1.00 0.00 C ATOM 793 C ILE A 58 -4.039 4.038 0.973 1.00 0.00 C ATOM 794 O ILE A 58 -5.017 4.670 0.577 1.00 0.00 O ATOM 795 CB ILE A 58 -1.589 4.258 1.421 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.756 5.248 2.600 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.226 4.494 0.733 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.863 4.892 3.788 1.00 0.00 C ATOM 0 H ILE A 58 -3.609 6.195 0.461 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.389 3.658 -0.406 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.643 3.258 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.520 6.257 2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.798 5.255 2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.571 4.431 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.070 3.736 -0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.217 5.482 0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.017 5.616 4.588 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.116 3.894 4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.181 4.912 3.477 1.00 0.00 H new ATOM 810 N ILE A 59 -4.129 3.094 1.950 1.00 0.00 N ATOM 811 CA ILE A 59 -5.341 2.896 2.713 1.00 0.00 C ATOM 812 C ILE A 59 -5.427 4.063 3.657 1.00 0.00 C ATOM 813 O ILE A 59 -4.511 4.319 4.438 1.00 0.00 O ATOM 814 CB ILE A 59 -5.479 1.573 3.459 1.00 0.00 C ATOM 815 CG1 ILE A 59 -5.485 0.402 2.451 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.799 1.581 4.266 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.121 -0.255 2.268 1.00 0.00 C ATOM 0 H ILE A 59 -3.364 2.471 2.209 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.169 2.841 2.006 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.637 1.447 4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.199 -0.350 2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.835 0.767 1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.904 0.638 4.802 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.784 2.404 4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.641 1.707 3.585 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.203 -1.068 1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.407 0.484 1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.777 -0.651 3.223 1.00 0.00 H new ATOM 829 N VAL A 60 -6.515 4.836 3.508 1.00 0.00 N ATOM 830 CA VAL A 60 -6.596 6.194 3.943 1.00 0.00 C ATOM 831 C VAL A 60 -8.022 6.481 4.305 1.00 0.00 C ATOM 832 O VAL A 60 -8.857 5.576 4.303 1.00 0.00 O ATOM 833 CB VAL A 60 -5.965 7.109 2.878 1.00 0.00 C ATOM 834 CG1 VAL A 60 -6.920 7.837 1.904 1.00 0.00 C ATOM 835 CG2 VAL A 60 -4.822 7.926 3.506 1.00 0.00 C ATOM 0 H VAL A 60 -7.372 4.502 3.067 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.017 6.391 4.845 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.511 6.460 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.339 8.445 1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.499 7.102 1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.597 8.478 2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.378 8.572 2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.215 8.536 4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.062 7.249 3.896 1.00 0.00 H new