USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 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 31 SER OG : rot -106:sc= 0.641 USER MOD Set 1.2: A 70 ASN : amide:sc= -0.11 K(o=0.53,f=-3.3!) USER MOD Single : A 9 MET CE :methyl 172:sc= -0.629 (180deg=-0.784) USER MOD Single : A 11 ASN : amide:sc= -2.44! X(o=-2.4!,f=-2) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -139:sc= 0.765 (180deg=0.0492) USER MOD Single : A 21 THR OG1 : rot 26:sc= 1.18 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -62:sc= 1.25 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot -163:sc= 1.19 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.0359 K(o=-0.036,f=-1.4!) USER MOD Single : A 68 HIS : no HE2:sc= 0.766 K(o=0.77,f=-3.8!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -173:sc= 0.997 (180deg=0.95) USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= -0.0239 (180deg=-0.156) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 120:sc= -0.152 USER MOD Single : A 86 MET CE :methyl 146:sc= -0.119 (180deg=-1.43) USER MOD Single : A 87 HIS : no HD1:sc= -0.0135 X(o=-0.013,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N VAL A 5 -11.513 -14.254 8.480 1.00 11.13 N ATOM 38 CA VAL A 5 -12.226 -13.384 7.595 1.00 72.41 C ATOM 39 C VAL A 5 -13.730 -13.651 7.694 1.00 1.12 C ATOM 40 O VAL A 5 -14.174 -14.792 7.514 1.00 71.02 O ATOM 41 CB VAL A 5 -11.788 -13.615 6.137 1.00 41.34 C ATOM 42 CG1 VAL A 5 -12.362 -12.548 5.233 1.00 4.35 C ATOM 43 CG2 VAL A 5 -10.275 -13.684 6.009 1.00 44.42 C ATOM 0 HA VAL A 5 -12.006 -12.357 7.886 1.00 72.41 H new ATOM 0 HB VAL A 5 -12.183 -14.581 5.822 1.00 41.34 H new ATOM 0 HG11 VAL A 5 -12.041 -12.729 4.207 1.00 4.35 H new ATOM 0 HG12 VAL A 5 -13.451 -12.576 5.283 1.00 4.35 H new ATOM 0 HG13 VAL A 5 -12.009 -11.569 5.556 1.00 4.35 H new ATOM 0 HG21 VAL A 5 -10.005 -13.848 4.966 1.00 44.42 H new ATOM 0 HG22 VAL A 5 -9.838 -12.747 6.354 1.00 44.42 H new ATOM 0 HG23 VAL A 5 -9.896 -14.507 6.615 1.00 44.42 H new ATOM 53 N PRO A 6 -14.534 -12.630 8.017 1.00 32.01 N ATOM 54 CA PRO A 6 -15.987 -12.763 8.045 1.00 13.42 C ATOM 55 C PRO A 6 -16.566 -12.793 6.622 1.00 74.23 C ATOM 56 O PRO A 6 -15.919 -12.353 5.665 1.00 21.44 O ATOM 57 CB PRO A 6 -16.471 -11.493 8.778 1.00 33.53 C ATOM 58 CG PRO A 6 -15.238 -10.774 9.231 1.00 13.52 C ATOM 59 CD PRO A 6 -14.102 -11.281 8.396 1.00 10.50 C ATOM 0 HA PRO A 6 -16.302 -13.686 8.531 1.00 13.42 H new ATOM 0 HB2 PRO A 6 -17.066 -10.865 8.115 1.00 33.53 H new ATOM 0 HB3 PRO A 6 -17.104 -11.751 9.627 1.00 33.53 H new ATOM 0 HG2 PRO A 6 -15.354 -9.697 9.111 1.00 13.52 H new ATOM 0 HG3 PRO A 6 -15.051 -10.958 10.289 1.00 13.52 H new ATOM 0 HD2 PRO A 6 -13.934 -10.652 7.521 1.00 10.50 H new ATOM 0 HD3 PRO A 6 -13.168 -11.301 8.958 1.00 10.50 H new ATOM 67 N ALA A 7 -17.793 -13.255 6.495 1.00 11.32 N ATOM 68 CA ALA A 7 -18.484 -13.359 5.210 1.00 42.32 C ATOM 69 C ALA A 7 -19.140 -12.021 4.871 1.00 3.11 C ATOM 70 O ALA A 7 -20.214 -11.957 4.276 1.00 53.22 O ATOM 71 CB ALA A 7 -19.528 -14.447 5.299 1.00 44.50 C ATOM 0 H ALA A 7 -18.352 -13.575 7.286 1.00 11.32 H new ATOM 0 HA ALA A 7 -17.772 -13.608 4.423 1.00 42.32 H new ATOM 0 HB1 ALA A 7 -20.048 -14.531 4.345 1.00 44.50 H new ATOM 0 HB2 ALA A 7 -19.046 -15.396 5.534 1.00 44.50 H new ATOM 0 HB3 ALA A 7 -20.245 -14.200 6.082 1.00 44.50 H new ATOM 77 N ASP A 8 -18.452 -10.975 5.224 1.00 12.11 N ATOM 78 CA ASP A 8 -18.889 -9.612 5.005 1.00 43.13 C ATOM 79 C ASP A 8 -17.737 -8.796 4.427 1.00 62.11 C ATOM 80 O ASP A 8 -17.940 -7.760 3.792 1.00 14.03 O ATOM 81 CB ASP A 8 -19.346 -9.014 6.350 1.00 3.22 C ATOM 82 CG ASP A 8 -19.789 -7.566 6.274 1.00 70.22 C ATOM 83 OD1 ASP A 8 -20.922 -7.299 5.844 1.00 53.54 O ATOM 84 OD2 ASP A 8 -19.015 -6.677 6.664 1.00 42.31 O ATOM 0 H ASP A 8 -17.545 -11.040 5.686 1.00 12.11 H new ATOM 0 HA ASP A 8 -19.720 -9.592 4.300 1.00 43.13 H new ATOM 0 HB2 ASP A 8 -20.169 -9.613 6.739 1.00 3.22 H new ATOM 0 HB3 ASP A 8 -18.528 -9.094 7.066 1.00 3.22 H new ATOM 89 N MET A 9 -16.527 -9.308 4.602 1.00 12.43 N ATOM 90 CA MET A 9 -15.317 -8.592 4.214 1.00 35.24 C ATOM 91 C MET A 9 -14.492 -9.440 3.267 1.00 21.41 C ATOM 92 O MET A 9 -14.542 -10.676 3.318 1.00 71.41 O ATOM 93 CB MET A 9 -14.470 -8.283 5.470 1.00 54.55 C ATOM 94 CG MET A 9 -15.187 -7.450 6.528 1.00 22.14 C ATOM 95 SD MET A 9 -15.513 -5.748 6.023 1.00 51.32 S ATOM 96 CE MET A 9 -13.858 -5.073 6.007 1.00 22.52 C ATOM 0 H MET A 9 -16.355 -10.225 5.014 1.00 12.43 H new ATOM 0 HA MET A 9 -15.604 -7.664 3.719 1.00 35.24 H new ATOM 0 HB2 MET A 9 -14.154 -9.224 5.920 1.00 54.55 H new ATOM 0 HB3 MET A 9 -13.566 -7.757 5.163 1.00 54.55 H new ATOM 0 HG2 MET A 9 -16.132 -7.932 6.776 1.00 22.14 H new ATOM 0 HG3 MET A 9 -14.586 -7.440 7.437 1.00 22.14 H new ATOM 0 HE1 MET A 9 -13.878 -4.071 5.578 1.00 22.52 H new ATOM 0 HE2 MET A 9 -13.475 -5.024 7.026 1.00 22.52 H new ATOM 0 HE3 MET A 9 -13.210 -5.712 5.406 1.00 22.52 H new ATOM 106 N ILE A 10 -13.754 -8.797 2.400 1.00 42.11 N ATOM 107 CA ILE A 10 -12.845 -9.493 1.518 1.00 43.52 C ATOM 108 C ILE A 10 -11.418 -9.358 2.064 1.00 34.55 C ATOM 109 O ILE A 10 -11.041 -8.298 2.583 1.00 3.20 O ATOM 110 CB ILE A 10 -12.995 -9.045 -0.003 1.00 50.31 C ATOM 111 CG1 ILE A 10 -12.879 -7.543 -0.218 1.00 52.40 C ATOM 112 CG2 ILE A 10 -14.281 -9.520 -0.608 1.00 12.04 C ATOM 113 CD1 ILE A 10 -11.483 -7.008 -0.294 1.00 20.34 C ATOM 0 H ILE A 10 -13.763 -7.784 2.283 1.00 42.11 H new ATOM 0 HA ILE A 10 -13.103 -10.552 1.504 1.00 43.52 H new ATOM 0 HB ILE A 10 -12.153 -9.521 -0.505 1.00 50.31 H new ATOM 0 HG12 ILE A 10 -13.399 -7.285 -1.140 1.00 52.40 H new ATOM 0 HG13 ILE A 10 -13.400 -7.036 0.594 1.00 52.40 H new ATOM 0 HG21 ILE A 10 -14.339 -9.191 -1.645 1.00 12.04 H new ATOM 0 HG22 ILE A 10 -14.321 -10.609 -0.570 1.00 12.04 H new ATOM 0 HG23 ILE A 10 -15.121 -9.107 -0.049 1.00 12.04 H new ATOM 0 HD11 ILE A 10 -11.515 -5.929 -0.448 1.00 20.34 H new ATOM 0 HD12 ILE A 10 -10.959 -7.226 0.636 1.00 20.34 H new ATOM 0 HD13 ILE A 10 -10.958 -7.478 -1.125 1.00 20.34 H new ATOM 125 N ASN A 11 -10.651 -10.418 2.008 1.00 32.44 N ATOM 126 CA ASN A 11 -9.314 -10.390 2.581 1.00 71.32 C ATOM 127 C ASN A 11 -8.339 -10.096 1.482 1.00 24.21 C ATOM 128 O ASN A 11 -8.167 -10.900 0.566 1.00 25.14 O ATOM 129 CB ASN A 11 -8.984 -11.722 3.238 1.00 73.35 C ATOM 130 CG ASN A 11 -7.736 -11.669 4.114 1.00 11.34 C ATOM 131 OD1 ASN A 11 -7.815 -11.384 5.307 1.00 54.41 O ATOM 132 ND2 ASN A 11 -6.603 -11.938 3.556 1.00 74.54 N ATOM 0 H ASN A 11 -10.918 -11.304 1.579 1.00 32.44 H new ATOM 0 HA ASN A 11 -9.257 -9.619 3.349 1.00 71.32 H new ATOM 0 HB2 ASN A 11 -9.832 -12.040 3.844 1.00 73.35 H new ATOM 0 HB3 ASN A 11 -8.845 -12.477 2.464 1.00 73.35 H new ATOM 0 HD21 ASN A 11 -5.745 -11.917 4.107 1.00 74.54 H new ATOM 0 HD22 ASN A 11 -6.566 -12.172 2.564 1.00 74.54 H new ATOM 139 N LEU A 12 -7.708 -8.977 1.558 1.00 60.45 N ATOM 140 CA LEU A 12 -6.875 -8.528 0.487 1.00 74.35 C ATOM 141 C LEU A 12 -5.435 -8.332 0.913 1.00 44.13 C ATOM 142 O LEU A 12 -5.151 -7.740 1.962 1.00 21.15 O ATOM 143 CB LEU A 12 -7.463 -7.235 -0.075 1.00 65.53 C ATOM 144 CG LEU A 12 -6.646 -6.485 -1.116 1.00 12.51 C ATOM 145 CD1 LEU A 12 -6.342 -7.335 -2.324 1.00 41.23 C ATOM 146 CD2 LEU A 12 -7.353 -5.216 -1.505 1.00 64.15 C ATOM 0 H LEU A 12 -7.751 -8.346 2.358 1.00 60.45 H new ATOM 0 HA LEU A 12 -6.855 -9.298 -0.284 1.00 74.35 H new ATOM 0 HB2 LEU A 12 -8.433 -7.470 -0.514 1.00 65.53 H new ATOM 0 HB3 LEU A 12 -7.646 -6.558 0.760 1.00 65.53 H new ATOM 0 HG LEU A 12 -5.685 -6.231 -0.668 1.00 12.51 H new ATOM 0 HD11 LEU A 12 -5.757 -6.756 -3.039 1.00 41.23 H new ATOM 0 HD12 LEU A 12 -5.774 -8.213 -2.017 1.00 41.23 H new ATOM 0 HD13 LEU A 12 -7.275 -7.651 -2.791 1.00 41.23 H new ATOM 0 HD21 LEU A 12 -6.762 -4.684 -2.251 1.00 64.15 H new ATOM 0 HD22 LEU A 12 -8.331 -5.457 -1.922 1.00 64.15 H new ATOM 0 HD23 LEU A 12 -7.479 -4.585 -0.625 1.00 64.15 H new ATOM 158 N ARG A 13 -4.527 -8.844 0.104 1.00 74.35 N ATOM 159 CA ARG A 13 -3.147 -8.633 0.321 1.00 22.34 C ATOM 160 C ARG A 13 -2.638 -7.693 -0.735 1.00 31.05 C ATOM 161 O ARG A 13 -2.711 -7.971 -1.931 1.00 41.22 O ATOM 162 CB ARG A 13 -2.380 -9.949 0.284 1.00 62.43 C ATOM 163 CG ARG A 13 -0.930 -9.820 0.718 1.00 23.12 C ATOM 164 CD ARG A 13 -0.321 -11.180 0.913 1.00 22.23 C ATOM 165 NE ARG A 13 1.046 -11.129 1.460 1.00 32.30 N ATOM 166 CZ ARG A 13 1.616 -12.117 2.175 1.00 21.54 C ATOM 167 NH1 ARG A 13 0.955 -13.256 2.393 1.00 33.11 N ATOM 168 NH2 ARG A 13 2.846 -11.959 2.659 1.00 75.31 N ATOM 0 H ARG A 13 -4.745 -9.413 -0.714 1.00 74.35 H new ATOM 0 HA ARG A 13 -2.996 -8.198 1.309 1.00 22.34 H new ATOM 0 HB2 ARG A 13 -2.881 -10.670 0.930 1.00 62.43 H new ATOM 0 HB3 ARG A 13 -2.413 -10.351 -0.729 1.00 62.43 H new ATOM 0 HG2 ARG A 13 -0.367 -9.266 -0.033 1.00 23.12 H new ATOM 0 HG3 ARG A 13 -0.870 -9.251 1.646 1.00 23.12 H new ATOM 0 HD2 ARG A 13 -0.953 -11.761 1.584 1.00 22.23 H new ATOM 0 HD3 ARG A 13 -0.304 -11.704 -0.043 1.00 22.23 H new ATOM 0 HE ARG A 13 1.597 -10.289 1.285 1.00 32.30 H new ATOM 0 HH11 ARG A 13 0.015 -13.380 2.017 1.00 33.11 H new ATOM 0 HH12 ARG A 13 1.390 -14.002 2.935 1.00 33.11 H new ATOM 0 HH21 ARG A 13 3.354 -11.091 2.488 1.00 75.31 H new ATOM 0 HH22 ARG A 13 3.281 -12.706 3.201 1.00 75.31 H new ATOM 182 N LEU A 14 -2.128 -6.618 -0.284 1.00 22.24 N ATOM 183 CA LEU A 14 -1.604 -5.562 -1.121 1.00 25.31 C ATOM 184 C LEU A 14 -0.095 -5.692 -1.220 1.00 24.35 C ATOM 185 O LEU A 14 0.602 -5.713 -0.190 1.00 53.01 O ATOM 186 CB LEU A 14 -1.988 -4.146 -0.549 1.00 55.32 C ATOM 187 CG LEU A 14 -3.484 -3.756 -0.496 1.00 52.44 C ATOM 188 CD1 LEU A 14 -4.132 -3.751 -1.861 1.00 52.05 C ATOM 189 CD2 LEU A 14 -4.284 -4.595 0.472 1.00 5.31 C ATOM 0 H LEU A 14 -2.050 -6.419 0.713 1.00 22.24 H new ATOM 0 HA LEU A 14 -2.043 -5.656 -2.114 1.00 25.31 H new ATOM 0 HB2 LEU A 14 -1.591 -4.078 0.464 1.00 55.32 H new ATOM 0 HB3 LEU A 14 -1.470 -3.395 -1.146 1.00 55.32 H new ATOM 0 HG LEU A 14 -3.495 -2.733 -0.119 1.00 52.44 H new ATOM 0 HD11 LEU A 14 -5.181 -3.471 -1.765 1.00 52.05 H new ATOM 0 HD12 LEU A 14 -3.622 -3.033 -2.503 1.00 52.05 H new ATOM 0 HD13 LEU A 14 -4.061 -4.746 -2.301 1.00 52.05 H new ATOM 0 HD21 LEU A 14 -5.324 -4.270 0.461 1.00 5.31 H new ATOM 0 HD22 LEU A 14 -4.228 -5.643 0.178 1.00 5.31 H new ATOM 0 HD23 LEU A 14 -3.878 -4.478 1.477 1.00 5.31 H new ATOM 201 N ILE A 15 0.422 -5.820 -2.431 1.00 5.21 N ATOM 202 CA ILE A 15 1.842 -5.895 -2.605 1.00 1.23 C ATOM 203 C ILE A 15 2.303 -4.659 -3.307 1.00 74.31 C ATOM 204 O ILE A 15 1.799 -4.326 -4.374 1.00 21.51 O ATOM 205 CB ILE A 15 2.296 -7.106 -3.438 1.00 10.41 C ATOM 206 CG1 ILE A 15 1.675 -8.410 -2.909 1.00 32.31 C ATOM 207 CG2 ILE A 15 3.828 -7.176 -3.409 1.00 24.34 C ATOM 208 CD1 ILE A 15 2.158 -9.656 -3.631 1.00 70.43 C ATOM 0 H ILE A 15 -0.123 -5.873 -3.292 1.00 5.21 H new ATOM 0 HA ILE A 15 2.275 -5.998 -1.610 1.00 1.23 H new ATOM 0 HB ILE A 15 1.955 -6.985 -4.466 1.00 10.41 H new ATOM 0 HG12 ILE A 15 1.903 -8.505 -1.847 1.00 32.31 H new ATOM 0 HG13 ILE A 15 0.590 -8.347 -2.998 1.00 32.31 H new ATOM 0 HG21 ILE A 15 4.164 -8.031 -3.996 1.00 24.34 H new ATOM 0 HG22 ILE A 15 4.242 -6.260 -3.831 1.00 24.34 H new ATOM 0 HG23 ILE A 15 4.168 -7.287 -2.379 1.00 24.34 H new ATOM 0 HD11 ILE A 15 1.676 -10.535 -3.202 1.00 70.43 H new ATOM 0 HD12 ILE A 15 1.906 -9.584 -4.689 1.00 70.43 H new ATOM 0 HD13 ILE A 15 3.239 -9.745 -3.520 1.00 70.43 H new ATOM 220 N LEU A 16 3.235 -3.985 -2.725 1.00 64.35 N ATOM 221 CA LEU A 16 3.749 -2.776 -3.317 1.00 32.31 C ATOM 222 C LEU A 16 4.986 -3.063 -4.144 1.00 62.22 C ATOM 223 O LEU A 16 5.637 -4.093 -3.959 1.00 52.31 O ATOM 224 CB LEU A 16 4.055 -1.696 -2.263 1.00 14.45 C ATOM 225 CG LEU A 16 2.867 -1.109 -1.472 1.00 43.42 C ATOM 226 CD1 LEU A 16 2.224 -2.123 -0.532 1.00 55.04 C ATOM 227 CD2 LEU A 16 3.303 0.116 -0.719 1.00 0.51 C ATOM 0 H LEU A 16 3.664 -4.243 -1.837 1.00 64.35 H new ATOM 0 HA LEU A 16 2.967 -2.388 -3.970 1.00 32.31 H new ATOM 0 HB2 LEU A 16 4.760 -2.117 -1.546 1.00 14.45 H new ATOM 0 HB3 LEU A 16 4.564 -0.873 -2.764 1.00 14.45 H new ATOM 0 HG LEU A 16 2.102 -0.833 -2.197 1.00 43.42 H new ATOM 0 HD11 LEU A 16 1.395 -1.654 -0.003 1.00 55.04 H new ATOM 0 HD12 LEU A 16 1.853 -2.970 -1.109 1.00 55.04 H new ATOM 0 HD13 LEU A 16 2.964 -2.471 0.189 1.00 55.04 H new ATOM 0 HD21 LEU A 16 2.457 0.522 -0.164 1.00 0.51 H new ATOM 0 HD22 LEU A 16 4.100 -0.149 -0.024 1.00 0.51 H new ATOM 0 HD23 LEU A 16 3.669 0.864 -1.422 1.00 0.51 H new ATOM 239 N VAL A 17 5.328 -2.126 -5.034 1.00 22.55 N ATOM 240 CA VAL A 17 6.514 -2.231 -5.912 1.00 40.52 C ATOM 241 C VAL A 17 7.824 -2.327 -5.128 1.00 0.14 C ATOM 242 O VAL A 17 8.861 -2.685 -5.675 1.00 60.55 O ATOM 243 CB VAL A 17 6.607 -1.042 -6.902 1.00 41.51 C ATOM 244 CG1 VAL A 17 5.444 -1.064 -7.856 1.00 30.04 C ATOM 245 CG2 VAL A 17 6.661 0.294 -6.161 1.00 22.33 C ATOM 0 H VAL A 17 4.793 -1.268 -5.172 1.00 22.55 H new ATOM 0 HA VAL A 17 6.377 -3.157 -6.470 1.00 40.52 H new ATOM 0 HB VAL A 17 7.532 -1.149 -7.469 1.00 41.51 H new ATOM 0 HG11 VAL A 17 5.523 -0.223 -8.545 1.00 30.04 H new ATOM 0 HG12 VAL A 17 5.453 -1.997 -8.419 1.00 30.04 H new ATOM 0 HG13 VAL A 17 4.512 -0.988 -7.296 1.00 30.04 H new ATOM 0 HG21 VAL A 17 6.726 1.108 -6.883 1.00 22.33 H new ATOM 0 HG22 VAL A 17 5.760 0.413 -5.560 1.00 22.33 H new ATOM 0 HG23 VAL A 17 7.536 0.315 -5.511 1.00 22.33 H new ATOM 255 N SER A 18 7.763 -2.009 -3.859 1.00 1.14 N ATOM 256 CA SER A 18 8.907 -2.078 -2.996 1.00 45.11 C ATOM 257 C SER A 18 9.154 -3.535 -2.547 1.00 43.52 C ATOM 258 O SER A 18 10.147 -3.830 -1.885 1.00 14.21 O ATOM 259 CB SER A 18 8.655 -1.186 -1.789 1.00 54.24 C ATOM 260 OG SER A 18 8.320 0.135 -2.196 1.00 23.25 O ATOM 0 H SER A 18 6.911 -1.693 -3.396 1.00 1.14 H new ATOM 0 HA SER A 18 9.794 -1.736 -3.529 1.00 45.11 H new ATOM 0 HB2 SER A 18 7.847 -1.601 -1.187 1.00 54.24 H new ATOM 0 HB3 SER A 18 9.543 -1.162 -1.157 1.00 54.24 H new ATOM 0 HG SER A 18 8.161 0.691 -1.405 1.00 23.25 H new ATOM 266 N GLY A 19 8.220 -4.426 -2.891 1.00 40.12 N ATOM 267 CA GLY A 19 8.339 -5.830 -2.541 1.00 60.30 C ATOM 268 C GLY A 19 7.746 -6.143 -1.188 1.00 4.35 C ATOM 269 O GLY A 19 7.768 -7.288 -0.742 1.00 2.15 O ATOM 0 H GLY A 19 7.375 -4.192 -3.412 1.00 40.12 H new ATOM 0 HA2 GLY A 19 7.841 -6.433 -3.300 1.00 60.30 H new ATOM 0 HA3 GLY A 19 9.391 -6.114 -2.547 1.00 60.30 H new ATOM 273 N LYS A 20 7.212 -5.135 -0.542 1.00 33.44 N ATOM 274 CA LYS A 20 6.598 -5.307 0.754 1.00 54.43 C ATOM 275 C LYS A 20 5.154 -5.682 0.572 1.00 75.44 C ATOM 276 O LYS A 20 4.443 -5.076 -0.244 1.00 74.21 O ATOM 277 CB LYS A 20 6.720 -4.044 1.650 1.00 21.03 C ATOM 278 CG LYS A 20 8.135 -3.712 2.165 1.00 60.24 C ATOM 279 CD LYS A 20 9.108 -3.357 1.055 1.00 51.14 C ATOM 280 CE LYS A 20 10.494 -3.071 1.599 1.00 52.45 C ATOM 281 NZ LYS A 20 11.467 -2.767 0.523 1.00 14.12 N ATOM 0 H LYS A 20 7.190 -4.179 -0.896 1.00 33.44 H new ATOM 0 HA LYS A 20 7.132 -6.105 1.270 1.00 54.43 H new ATOM 0 HB2 LYS A 20 6.350 -3.187 1.087 1.00 21.03 H new ATOM 0 HB3 LYS A 20 6.062 -4.169 2.510 1.00 21.03 H new ATOM 0 HG2 LYS A 20 8.073 -2.879 2.865 1.00 60.24 H new ATOM 0 HG3 LYS A 20 8.523 -4.567 2.719 1.00 60.24 H new ATOM 0 HD2 LYS A 20 9.159 -4.177 0.339 1.00 51.14 H new ATOM 0 HD3 LYS A 20 8.741 -2.485 0.514 1.00 51.14 H new ATOM 0 HE2 LYS A 20 10.445 -2.229 2.290 1.00 52.45 H new ATOM 0 HE3 LYS A 20 10.843 -3.932 2.169 1.00 52.45 H new ATOM 0 HZ1 LYS A 20 12.373 -3.232 0.733 1.00 14.12 H new ATOM 0 HZ2 LYS A 20 11.101 -3.117 -0.385 1.00 14.12 H new ATOM 0 HZ3 LYS A 20 11.611 -1.739 0.465 1.00 14.12 H new ATOM 295 N THR A 21 4.720 -6.672 1.300 1.00 63.54 N ATOM 296 CA THR A 21 3.387 -7.150 1.179 1.00 75.44 C ATOM 297 C THR A 21 2.647 -6.935 2.491 1.00 52.22 C ATOM 298 O THR A 21 3.163 -7.259 3.561 1.00 62.22 O ATOM 299 CB THR A 21 3.356 -8.671 0.847 1.00 61.24 C ATOM 300 OG1 THR A 21 3.838 -9.450 1.960 1.00 14.43 O ATOM 301 CG2 THR A 21 4.217 -9.004 -0.356 1.00 31.00 C ATOM 0 H THR A 21 5.286 -7.165 1.991 1.00 63.54 H new ATOM 0 HA THR A 21 2.910 -6.599 0.368 1.00 75.44 H new ATOM 0 HB THR A 21 2.316 -8.915 0.630 1.00 61.24 H new ATOM 0 HG1 THR A 21 3.701 -8.951 2.792 1.00 14.43 H new ATOM 0 HG21 THR A 21 4.168 -10.075 -0.554 1.00 31.00 H new ATOM 0 HG22 THR A 21 3.854 -8.457 -1.226 1.00 31.00 H new ATOM 0 HG23 THR A 21 5.250 -8.720 -0.154 1.00 31.00 H new ATOM 309 N LYS A 22 1.477 -6.392 2.426 1.00 60.33 N ATOM 310 CA LYS A 22 0.638 -6.255 3.618 1.00 64.41 C ATOM 311 C LYS A 22 -0.744 -6.799 3.343 1.00 2.22 C ATOM 312 O LYS A 22 -1.274 -6.602 2.264 1.00 3.24 O ATOM 313 CB LYS A 22 0.551 -4.811 4.145 1.00 52.13 C ATOM 314 CG LYS A 22 1.849 -4.230 4.714 1.00 43.10 C ATOM 315 CD LYS A 22 1.578 -2.883 5.381 1.00 4.03 C ATOM 316 CE LYS A 22 2.817 -2.280 6.041 1.00 11.10 C ATOM 317 NZ LYS A 22 3.875 -1.923 5.074 1.00 33.43 N ATOM 0 H LYS A 22 1.060 -6.029 1.569 1.00 60.33 H new ATOM 0 HA LYS A 22 1.117 -6.838 4.405 1.00 64.41 H new ATOM 0 HB2 LYS A 22 0.212 -4.168 3.333 1.00 52.13 H new ATOM 0 HB3 LYS A 22 -0.213 -4.773 4.921 1.00 52.13 H new ATOM 0 HG2 LYS A 22 2.279 -4.922 5.438 1.00 43.10 H new ATOM 0 HG3 LYS A 22 2.581 -4.108 3.916 1.00 43.10 H new ATOM 0 HD2 LYS A 22 1.195 -2.186 4.636 1.00 4.03 H new ATOM 0 HD3 LYS A 22 0.798 -3.007 6.132 1.00 4.03 H new ATOM 0 HE2 LYS A 22 2.527 -1.389 6.598 1.00 11.10 H new ATOM 0 HE3 LYS A 22 3.218 -2.991 6.763 1.00 11.10 H new ATOM 0 HZ1 LYS A 22 4.688 -1.520 5.582 1.00 33.43 H new ATOM 0 HZ2 LYS A 22 4.176 -2.775 4.559 1.00 33.43 H new ATOM 0 HZ3 LYS A 22 3.507 -1.223 4.399 1.00 33.43 H new ATOM 331 N GLU A 23 -1.326 -7.488 4.295 1.00 50.13 N ATOM 332 CA GLU A 23 -2.626 -8.074 4.075 1.00 4.44 C ATOM 333 C GLU A 23 -3.578 -7.604 5.162 1.00 40.21 C ATOM 334 O GLU A 23 -3.256 -7.686 6.347 1.00 72.41 O ATOM 335 CB GLU A 23 -2.507 -9.588 4.109 1.00 72.01 C ATOM 336 CG GLU A 23 -3.705 -10.306 3.593 1.00 51.11 C ATOM 337 CD GLU A 23 -3.599 -11.784 3.827 1.00 21.32 C ATOM 338 OE1 GLU A 23 -2.940 -12.487 3.034 1.00 45.44 O ATOM 339 OE2 GLU A 23 -4.186 -12.273 4.824 1.00 63.33 O ATOM 0 H GLU A 23 -0.926 -7.655 5.218 1.00 50.13 H new ATOM 0 HA GLU A 23 -3.011 -7.767 3.103 1.00 4.44 H new ATOM 0 HB2 GLU A 23 -1.638 -9.886 3.523 1.00 72.01 H new ATOM 0 HB3 GLU A 23 -2.322 -9.904 5.136 1.00 72.01 H new ATOM 0 HG2 GLU A 23 -4.600 -9.922 4.082 1.00 51.11 H new ATOM 0 HG3 GLU A 23 -3.816 -10.112 2.526 1.00 51.11 H new ATOM 346 N PHE A 24 -4.737 -7.122 4.758 1.00 11.55 N ATOM 347 CA PHE A 24 -5.734 -6.576 5.676 1.00 41.41 C ATOM 348 C PHE A 24 -7.145 -6.861 5.184 1.00 24.40 C ATOM 349 O PHE A 24 -7.351 -7.172 3.999 1.00 51.31 O ATOM 350 CB PHE A 24 -5.574 -5.060 5.859 1.00 23.25 C ATOM 351 CG PHE A 24 -4.284 -4.607 6.491 1.00 21.14 C ATOM 352 CD1 PHE A 24 -4.102 -4.690 7.860 1.00 44.14 C ATOM 353 CD2 PHE A 24 -3.264 -4.086 5.716 1.00 31.04 C ATOM 354 CE1 PHE A 24 -2.925 -4.268 8.445 1.00 42.12 C ATOM 355 CE2 PHE A 24 -2.086 -3.661 6.292 1.00 74.42 C ATOM 356 CZ PHE A 24 -1.915 -3.752 7.659 1.00 42.50 C ATOM 0 H PHE A 24 -5.021 -7.095 3.779 1.00 11.55 H new ATOM 0 HA PHE A 24 -5.572 -7.067 6.635 1.00 41.41 H new ATOM 0 HB2 PHE A 24 -5.665 -4.584 4.883 1.00 23.25 H new ATOM 0 HB3 PHE A 24 -6.402 -4.698 6.468 1.00 23.25 H new ATOM 0 HD1 PHE A 24 -4.891 -5.090 8.479 1.00 44.14 H new ATOM 0 HD2 PHE A 24 -3.392 -4.011 4.646 1.00 31.04 H new ATOM 0 HE1 PHE A 24 -2.795 -4.341 9.515 1.00 42.12 H new ATOM 0 HE2 PHE A 24 -1.297 -3.257 5.674 1.00 74.42 H new ATOM 0 HZ PHE A 24 -0.993 -3.420 8.112 1.00 42.50 H new ATOM 366 N LEU A 25 -8.105 -6.784 6.081 1.00 13.32 N ATOM 367 CA LEU A 25 -9.496 -6.900 5.703 1.00 71.13 C ATOM 368 C LEU A 25 -9.997 -5.563 5.205 1.00 1.43 C ATOM 369 O LEU A 25 -9.874 -4.546 5.892 1.00 1.15 O ATOM 370 CB LEU A 25 -10.369 -7.342 6.882 1.00 62.31 C ATOM 371 CG LEU A 25 -10.154 -8.745 7.409 1.00 62.25 C ATOM 372 CD1 LEU A 25 -11.039 -8.992 8.619 1.00 33.53 C ATOM 373 CD2 LEU A 25 -10.463 -9.755 6.335 1.00 51.53 C ATOM 0 H LEU A 25 -7.947 -6.641 7.078 1.00 13.32 H new ATOM 0 HA LEU A 25 -9.564 -7.655 4.920 1.00 71.13 H new ATOM 0 HB2 LEU A 25 -10.208 -6.643 7.703 1.00 62.31 H new ATOM 0 HB3 LEU A 25 -11.413 -7.248 6.584 1.00 62.31 H new ATOM 0 HG LEU A 25 -9.111 -8.850 7.706 1.00 62.25 H new ATOM 0 HD11 LEU A 25 -10.875 -10.004 8.989 1.00 33.53 H new ATOM 0 HD12 LEU A 25 -10.793 -8.275 9.402 1.00 33.53 H new ATOM 0 HD13 LEU A 25 -12.085 -8.874 8.335 1.00 33.53 H new ATOM 0 HD21 LEU A 25 -10.305 -10.761 6.725 1.00 51.53 H new ATOM 0 HD22 LEU A 25 -11.501 -9.646 6.021 1.00 51.53 H new ATOM 0 HD23 LEU A 25 -9.807 -9.590 5.481 1.00 51.53 H new ATOM 385 N PHE A 26 -10.549 -5.565 4.038 1.00 11.42 N ATOM 386 CA PHE A 26 -11.129 -4.381 3.463 1.00 10.45 C ATOM 387 C PHE A 26 -12.489 -4.740 2.924 1.00 11.50 C ATOM 388 O PHE A 26 -12.823 -5.935 2.810 1.00 62.23 O ATOM 389 CB PHE A 26 -10.240 -3.775 2.354 1.00 53.35 C ATOM 390 CG PHE A 26 -8.905 -3.213 2.823 1.00 45.25 C ATOM 391 CD1 PHE A 26 -8.833 -1.942 3.382 1.00 3.35 C ATOM 392 CD2 PHE A 26 -7.728 -3.940 2.686 1.00 10.20 C ATOM 393 CE1 PHE A 26 -7.619 -1.411 3.789 1.00 21.35 C ATOM 394 CE2 PHE A 26 -6.523 -3.416 3.094 1.00 32.42 C ATOM 395 CZ PHE A 26 -6.463 -2.153 3.645 1.00 24.14 C ATOM 0 H PHE A 26 -10.615 -6.392 3.445 1.00 11.42 H new ATOM 0 HA PHE A 26 -11.216 -3.616 4.235 1.00 10.45 H new ATOM 0 HB2 PHE A 26 -10.049 -4.543 1.605 1.00 53.35 H new ATOM 0 HB3 PHE A 26 -10.797 -2.979 1.860 1.00 53.35 H new ATOM 0 HD1 PHE A 26 -9.735 -1.360 3.501 1.00 3.35 H new ATOM 0 HD2 PHE A 26 -7.760 -4.929 2.254 1.00 10.20 H new ATOM 0 HE1 PHE A 26 -7.577 -0.420 4.217 1.00 21.35 H new ATOM 0 HE2 PHE A 26 -5.619 -3.997 2.982 1.00 32.42 H new ATOM 0 HZ PHE A 26 -5.515 -1.745 3.963 1.00 24.14 H new ATOM 405 N SER A 27 -13.284 -3.768 2.616 1.00 5.33 N ATOM 406 CA SER A 27 -14.574 -4.060 2.105 1.00 21.54 C ATOM 407 C SER A 27 -14.475 -4.156 0.604 1.00 64.23 C ATOM 408 O SER A 27 -13.617 -3.515 -0.003 1.00 12.45 O ATOM 409 CB SER A 27 -15.613 -2.996 2.533 1.00 23.22 C ATOM 410 OG SER A 27 -15.318 -1.706 2.010 1.00 65.13 O ATOM 0 H SER A 27 -13.063 -2.777 2.709 1.00 5.33 H new ATOM 0 HA SER A 27 -14.921 -5.008 2.515 1.00 21.54 H new ATOM 0 HB2 SER A 27 -16.603 -3.303 2.196 1.00 23.22 H new ATOM 0 HB3 SER A 27 -15.648 -2.944 3.621 1.00 23.22 H new ATOM 0 HG SER A 27 -14.455 -1.401 2.359 1.00 65.13 H new ATOM 416 N PRO A 28 -15.322 -4.962 -0.034 1.00 61.33 N ATOM 417 CA PRO A 28 -15.345 -5.087 -1.498 1.00 63.21 C ATOM 418 C PRO A 28 -15.656 -3.742 -2.197 1.00 41.41 C ATOM 419 O PRO A 28 -15.479 -3.605 -3.412 1.00 4.11 O ATOM 420 CB PRO A 28 -16.463 -6.116 -1.738 1.00 3.23 C ATOM 421 CG PRO A 28 -17.291 -6.044 -0.505 1.00 35.52 C ATOM 422 CD PRO A 28 -16.305 -5.858 0.595 1.00 61.24 C ATOM 0 HA PRO A 28 -14.381 -5.388 -1.908 1.00 63.21 H new ATOM 0 HB2 PRO A 28 -17.047 -5.871 -2.625 1.00 3.23 H new ATOM 0 HB3 PRO A 28 -16.058 -7.117 -1.889 1.00 3.23 H new ATOM 0 HG2 PRO A 28 -17.998 -5.215 -0.549 1.00 35.52 H new ATOM 0 HG3 PRO A 28 -17.875 -6.954 -0.365 1.00 35.52 H new ATOM 0 HD2 PRO A 28 -16.758 -5.411 1.480 1.00 61.24 H new ATOM 0 HD3 PRO A 28 -15.858 -6.802 0.908 1.00 61.24 H new ATOM 430 N ASN A 29 -16.087 -2.764 -1.399 1.00 72.32 N ATOM 431 CA ASN A 29 -16.446 -1.435 -1.875 1.00 4.14 C ATOM 432 C ASN A 29 -15.253 -0.489 -1.821 1.00 23.44 C ATOM 433 O ASN A 29 -15.317 0.639 -2.342 1.00 32.21 O ATOM 434 CB ASN A 29 -17.585 -0.865 -1.031 1.00 62.43 C ATOM 435 CG ASN A 29 -18.835 -1.711 -1.084 1.00 64.11 C ATOM 436 OD1 ASN A 29 -19.008 -2.632 -0.286 1.00 1.43 O ATOM 437 ND2 ASN A 29 -19.715 -1.412 -2.001 1.00 51.22 N ATOM 0 H ASN A 29 -16.197 -2.878 -0.391 1.00 72.32 H new ATOM 0 HA ASN A 29 -16.768 -1.528 -2.912 1.00 4.14 H new ATOM 0 HB2 ASN A 29 -17.255 -0.778 0.004 1.00 62.43 H new ATOM 0 HB3 ASN A 29 -17.819 0.142 -1.377 1.00 62.43 H new ATOM 0 HD21 ASN A 29 -20.579 -1.949 -2.073 1.00 51.22 H new ATOM 0 HD22 ASN A 29 -19.538 -0.642 -2.646 1.00 51.22 H new ATOM 444 N ASP A 30 -14.172 -0.931 -1.184 1.00 30.22 N ATOM 445 CA ASP A 30 -12.948 -0.131 -1.112 1.00 41.04 C ATOM 446 C ASP A 30 -12.253 -0.063 -2.454 1.00 72.05 C ATOM 447 O ASP A 30 -12.423 -0.942 -3.308 1.00 32.21 O ATOM 448 CB ASP A 30 -11.961 -0.602 -0.016 1.00 31.25 C ATOM 449 CG ASP A 30 -12.363 -0.217 1.396 1.00 72.24 C ATOM 450 OD1 ASP A 30 -12.190 0.969 1.766 1.00 51.11 O ATOM 451 OD2 ASP A 30 -12.823 -1.088 2.169 1.00 32.24 O ATOM 0 H ASP A 30 -14.116 -1.833 -0.712 1.00 30.22 H new ATOM 0 HA ASP A 30 -13.272 0.870 -0.828 1.00 41.04 H new ATOM 0 HB2 ASP A 30 -11.866 -1.686 -0.071 1.00 31.25 H new ATOM 0 HB3 ASP A 30 -10.976 -0.185 -0.227 1.00 31.25 H new ATOM 456 N SER A 31 -11.507 0.979 -2.650 1.00 72.15 N ATOM 457 CA SER A 31 -10.794 1.186 -3.872 1.00 51.54 C ATOM 458 C SER A 31 -9.361 0.671 -3.747 1.00 64.43 C ATOM 459 O SER A 31 -8.615 1.128 -2.900 1.00 31.22 O ATOM 460 CB SER A 31 -10.806 2.666 -4.199 1.00 11.14 C ATOM 461 OG SER A 31 -12.143 3.136 -4.326 1.00 14.15 O ATOM 0 H SER A 31 -11.374 1.718 -1.959 1.00 72.15 H new ATOM 0 HA SER A 31 -11.276 0.633 -4.678 1.00 51.54 H new ATOM 0 HB2 SER A 31 -10.291 3.222 -3.415 1.00 11.14 H new ATOM 0 HB3 SER A 31 -10.262 2.844 -5.126 1.00 11.14 H new ATOM 0 HG SER A 31 -12.346 3.293 -5.272 1.00 14.15 H new ATOM 467 N ALA A 32 -8.998 -0.269 -4.611 1.00 31.11 N ATOM 468 CA ALA A 32 -7.669 -0.925 -4.619 1.00 10.22 C ATOM 469 C ALA A 32 -6.497 0.080 -4.564 1.00 10.40 C ATOM 470 O ALA A 32 -5.533 -0.131 -3.841 1.00 1.43 O ATOM 471 CB ALA A 32 -7.558 -1.760 -5.872 1.00 50.50 C ATOM 0 H ALA A 32 -9.619 -0.612 -5.343 1.00 31.11 H new ATOM 0 HA ALA A 32 -7.596 -1.539 -3.722 1.00 10.22 H new ATOM 0 HB1 ALA A 32 -6.586 -2.252 -5.897 1.00 50.50 H new ATOM 0 HB2 ALA A 32 -8.346 -2.513 -5.878 1.00 50.50 H new ATOM 0 HB3 ALA A 32 -7.662 -1.119 -6.747 1.00 50.50 H new ATOM 477 N SER A 33 -6.589 1.160 -5.319 1.00 12.45 N ATOM 478 CA SER A 33 -5.534 2.167 -5.346 1.00 63.11 C ATOM 479 C SER A 33 -5.506 3.005 -4.061 1.00 11.21 C ATOM 480 O SER A 33 -4.439 3.412 -3.593 1.00 63.13 O ATOM 481 CB SER A 33 -5.696 3.026 -6.583 1.00 60.34 C ATOM 482 OG SER A 33 -7.063 3.371 -6.765 1.00 3.45 O ATOM 0 H SER A 33 -7.384 1.366 -5.924 1.00 12.45 H new ATOM 0 HA SER A 33 -4.568 1.664 -5.393 1.00 63.11 H new ATOM 0 HB2 SER A 33 -5.095 3.930 -6.488 1.00 60.34 H new ATOM 0 HB3 SER A 33 -5.329 2.489 -7.458 1.00 60.34 H new ATOM 0 HG SER A 33 -7.201 3.687 -7.682 1.00 3.45 H new ATOM 488 N ASP A 34 -6.679 3.242 -3.498 1.00 44.23 N ATOM 489 CA ASP A 34 -6.811 3.939 -2.212 1.00 11.22 C ATOM 490 C ASP A 34 -6.169 3.086 -1.152 1.00 63.03 C ATOM 491 O ASP A 34 -5.363 3.557 -0.344 1.00 34.32 O ATOM 492 CB ASP A 34 -8.300 4.138 -1.878 1.00 1.33 C ATOM 493 CG ASP A 34 -8.557 4.734 -0.501 1.00 75.31 C ATOM 494 OD1 ASP A 34 -8.639 3.965 0.497 1.00 64.23 O ATOM 495 OD2 ASP A 34 -8.720 5.969 -0.401 1.00 64.34 O ATOM 0 H ASP A 34 -7.568 2.961 -3.911 1.00 44.23 H new ATOM 0 HA ASP A 34 -6.328 4.915 -2.261 1.00 11.22 H new ATOM 0 HB2 ASP A 34 -8.746 4.787 -2.631 1.00 1.33 H new ATOM 0 HB3 ASP A 34 -8.808 3.176 -1.945 1.00 1.33 H new ATOM 500 N ILE A 35 -6.515 1.816 -1.194 1.00 4.44 N ATOM 501 CA ILE A 35 -5.986 0.828 -0.298 1.00 72.30 C ATOM 502 C ILE A 35 -4.472 0.739 -0.429 1.00 35.44 C ATOM 503 O ILE A 35 -3.788 0.712 0.560 1.00 12.14 O ATOM 504 CB ILE A 35 -6.586 -0.554 -0.571 1.00 13.23 C ATOM 505 CG1 ILE A 35 -8.094 -0.549 -0.414 1.00 33.12 C ATOM 506 CG2 ILE A 35 -5.990 -1.553 0.359 1.00 34.32 C ATOM 507 CD1 ILE A 35 -8.711 -1.885 -0.721 1.00 72.32 C ATOM 0 H ILE A 35 -7.184 1.442 -1.867 1.00 4.44 H new ATOM 0 HA ILE A 35 -6.252 1.138 0.713 1.00 72.30 H new ATOM 0 HB ILE A 35 -6.355 -0.822 -1.602 1.00 13.23 H new ATOM 0 HG12 ILE A 35 -8.349 -0.261 0.606 1.00 33.12 H new ATOM 0 HG13 ILE A 35 -8.522 0.205 -1.074 1.00 33.12 H new ATOM 0 HG21 ILE A 35 -6.419 -2.535 0.162 1.00 34.32 H new ATOM 0 HG22 ILE A 35 -4.911 -1.592 0.209 1.00 34.32 H new ATOM 0 HG23 ILE A 35 -6.203 -1.264 1.388 1.00 34.32 H new ATOM 0 HD11 ILE A 35 -9.792 -1.825 -0.593 1.00 72.32 H new ATOM 0 HD12 ILE A 35 -8.483 -2.163 -1.750 1.00 72.32 H new ATOM 0 HD13 ILE A 35 -8.307 -2.637 -0.043 1.00 72.32 H new ATOM 519 N ALA A 36 -3.979 0.692 -1.660 1.00 51.41 N ATOM 520 CA ALA A 36 -2.545 0.654 -1.954 1.00 1.41 C ATOM 521 C ALA A 36 -1.789 1.752 -1.218 1.00 64.21 C ATOM 522 O ALA A 36 -0.749 1.507 -0.608 1.00 63.02 O ATOM 523 CB ALA A 36 -2.325 0.823 -3.442 1.00 72.14 C ATOM 0 H ALA A 36 -4.566 0.679 -2.494 1.00 51.41 H new ATOM 0 HA ALA A 36 -2.166 -0.311 -1.618 1.00 1.41 H new ATOM 0 HB1 ALA A 36 -1.257 0.794 -3.657 1.00 72.14 H new ATOM 0 HB2 ALA A 36 -2.825 0.016 -3.978 1.00 72.14 H new ATOM 0 HB3 ALA A 36 -2.734 1.781 -3.764 1.00 72.14 H new ATOM 529 N LYS A 37 -2.317 2.953 -1.270 1.00 34.40 N ATOM 530 CA LYS A 37 -1.683 4.080 -0.632 1.00 32.52 C ATOM 531 C LYS A 37 -1.869 3.954 0.898 1.00 11.44 C ATOM 532 O LYS A 37 -0.992 4.306 1.677 1.00 54.44 O ATOM 533 CB LYS A 37 -2.296 5.380 -1.199 1.00 24.01 C ATOM 534 CG LYS A 37 -1.417 6.631 -1.101 1.00 5.33 C ATOM 535 CD LYS A 37 -1.220 7.158 0.311 1.00 5.31 C ATOM 536 CE LYS A 37 -0.214 8.299 0.304 1.00 44.44 C ATOM 537 NZ LYS A 37 -0.187 9.046 1.577 1.00 21.22 N ATOM 0 H LYS A 37 -3.189 3.174 -1.751 1.00 34.40 H new ATOM 0 HA LYS A 37 -0.612 4.104 -0.833 1.00 32.52 H new ATOM 0 HB2 LYS A 37 -2.544 5.215 -2.247 1.00 24.01 H new ATOM 0 HB3 LYS A 37 -3.233 5.575 -0.677 1.00 24.01 H new ATOM 0 HG2 LYS A 37 -0.441 6.407 -1.531 1.00 5.33 H new ATOM 0 HG3 LYS A 37 -1.860 7.419 -1.710 1.00 5.33 H new ATOM 0 HD2 LYS A 37 -2.171 7.503 0.715 1.00 5.31 H new ATOM 0 HD3 LYS A 37 -0.869 6.357 0.962 1.00 5.31 H new ATOM 0 HE2 LYS A 37 0.780 7.900 0.101 1.00 44.44 H new ATOM 0 HE3 LYS A 37 -0.454 8.984 -0.509 1.00 44.44 H new ATOM 0 HZ1 LYS A 37 0.515 9.811 1.516 1.00 21.22 H new ATOM 0 HZ2 LYS A 37 -1.126 9.452 1.761 1.00 21.22 H new ATOM 0 HZ3 LYS A 37 0.069 8.402 2.352 1.00 21.22 H new ATOM 551 N HIS A 38 -3.004 3.401 1.283 1.00 51.12 N ATOM 552 CA HIS A 38 -3.385 3.191 2.683 1.00 3.22 C ATOM 553 C HIS A 38 -2.446 2.154 3.359 1.00 21.22 C ATOM 554 O HIS A 38 -1.893 2.411 4.427 1.00 21.45 O ATOM 555 CB HIS A 38 -4.854 2.706 2.713 1.00 34.03 C ATOM 556 CG HIS A 38 -5.495 2.587 4.060 1.00 12.21 C ATOM 557 ND1 HIS A 38 -6.629 3.282 4.405 1.00 33.52 N ATOM 558 CD2 HIS A 38 -5.197 1.823 5.123 1.00 34.13 C ATOM 559 CE1 HIS A 38 -6.991 2.959 5.617 1.00 41.02 C ATOM 560 NE2 HIS A 38 -6.135 2.073 6.087 1.00 43.10 N ATOM 0 H HIS A 38 -3.709 3.075 0.622 1.00 51.12 H new ATOM 0 HA HIS A 38 -3.290 4.123 3.240 1.00 3.22 H new ATOM 0 HB2 HIS A 38 -5.451 3.391 2.111 1.00 34.03 H new ATOM 0 HB3 HIS A 38 -4.901 1.732 2.227 1.00 34.03 H new ATOM 0 HD2 HIS A 38 -4.368 1.136 5.203 1.00 34.13 H new ATOM 0 HE1 HIS A 38 -7.847 3.351 6.146 1.00 41.02 H new ATOM 0 HE2 HIS A 38 -6.167 1.646 7.013 1.00 43.10 H new ATOM 569 N VAL A 39 -2.298 0.995 2.721 1.00 74.14 N ATOM 570 CA VAL A 39 -1.432 -0.091 3.194 1.00 13.31 C ATOM 571 C VAL A 39 0.027 0.314 3.175 1.00 64.51 C ATOM 572 O VAL A 39 0.829 -0.189 3.960 1.00 42.51 O ATOM 573 CB VAL A 39 -1.644 -1.399 2.415 1.00 60.52 C ATOM 574 CG1 VAL A 39 -3.056 -1.911 2.656 1.00 65.22 C ATOM 575 CG2 VAL A 39 -1.418 -1.180 0.956 1.00 40.20 C ATOM 0 H VAL A 39 -2.781 0.778 1.849 1.00 74.14 H new ATOM 0 HA VAL A 39 -1.721 -0.283 4.227 1.00 13.31 H new ATOM 0 HB VAL A 39 -0.927 -2.141 2.766 1.00 60.52 H new ATOM 0 HG11 VAL A 39 -3.206 -2.839 2.103 1.00 65.22 H new ATOM 0 HG12 VAL A 39 -3.199 -2.096 3.721 1.00 65.22 H new ATOM 0 HG13 VAL A 39 -3.776 -1.166 2.317 1.00 65.22 H new ATOM 0 HG21 VAL A 39 -1.572 -2.116 0.419 1.00 40.20 H new ATOM 0 HG22 VAL A 39 -2.119 -0.431 0.588 1.00 40.20 H new ATOM 0 HG23 VAL A 39 -0.398 -0.833 0.794 1.00 40.20 H new ATOM 585 N TYR A 40 0.362 1.200 2.231 1.00 15.23 N ATOM 586 CA TYR A 40 1.699 1.772 2.112 1.00 45.13 C ATOM 587 C TYR A 40 2.227 2.266 3.455 1.00 65.23 C ATOM 588 O TYR A 40 3.354 1.934 3.832 1.00 43.10 O ATOM 589 CB TYR A 40 1.699 2.924 1.075 1.00 3.32 C ATOM 590 CG TYR A 40 2.967 3.760 1.054 1.00 64.12 C ATOM 591 CD1 TYR A 40 4.116 3.319 0.419 1.00 50.21 C ATOM 592 CD2 TYR A 40 3.007 4.995 1.691 1.00 12.25 C ATOM 593 CE1 TYR A 40 5.266 4.078 0.419 1.00 3.11 C ATOM 594 CE2 TYR A 40 4.149 5.755 1.701 1.00 21.41 C ATOM 595 CZ TYR A 40 5.275 5.295 1.063 1.00 1.05 C ATOM 596 OH TYR A 40 6.425 6.058 1.086 1.00 2.02 O ATOM 0 H TYR A 40 -0.293 1.539 1.527 1.00 15.23 H new ATOM 0 HA TYR A 40 2.367 0.982 1.769 1.00 45.13 H new ATOM 0 HB2 TYR A 40 1.543 2.501 0.083 1.00 3.32 H new ATOM 0 HB3 TYR A 40 0.852 3.579 1.280 1.00 3.32 H new ATOM 0 HD1 TYR A 40 4.111 2.364 -0.085 1.00 50.21 H new ATOM 0 HD2 TYR A 40 2.122 5.363 2.188 1.00 12.25 H new ATOM 0 HE1 TYR A 40 6.154 3.721 -0.082 1.00 3.11 H new ATOM 0 HE2 TYR A 40 4.163 6.709 2.207 1.00 21.41 H new ATOM 0 HH TYR A 40 6.258 6.887 1.581 1.00 2.02 H new ATOM 870 N LEU A 58 -1.301 6.180 -9.199 1.00 31.53 N ATOM 871 CA LEU A 58 -2.030 5.147 -8.460 1.00 54.42 C ATOM 872 C LEU A 58 -2.740 4.234 -9.429 1.00 65.03 C ATOM 873 O LEU A 58 -3.765 4.607 -10.006 1.00 34.03 O ATOM 874 CB LEU A 58 -3.074 5.743 -7.489 1.00 42.40 C ATOM 875 CG LEU A 58 -2.564 6.557 -6.296 1.00 21.33 C ATOM 876 CD1 LEU A 58 -3.733 7.068 -5.468 1.00 53.21 C ATOM 877 CD2 LEU A 58 -1.625 5.723 -5.434 1.00 74.34 C ATOM 0 HA LEU A 58 -1.295 4.596 -7.873 1.00 54.42 H new ATOM 0 HB2 LEU A 58 -3.742 6.381 -8.068 1.00 42.40 H new ATOM 0 HB3 LEU A 58 -3.676 4.921 -7.100 1.00 42.40 H new ATOM 0 HG LEU A 58 -2.006 7.412 -6.677 1.00 21.33 H new ATOM 0 HD11 LEU A 58 -3.356 7.645 -4.623 1.00 53.21 H new ATOM 0 HD12 LEU A 58 -4.367 7.703 -6.087 1.00 53.21 H new ATOM 0 HD13 LEU A 58 -4.315 6.223 -5.100 1.00 53.21 H new ATOM 0 HD21 LEU A 58 -1.275 6.322 -4.593 1.00 74.34 H new ATOM 0 HD22 LEU A 58 -2.156 4.847 -5.060 1.00 74.34 H new ATOM 0 HD23 LEU A 58 -0.771 5.403 -6.031 1.00 74.34 H new ATOM 889 N ARG A 59 -2.190 3.059 -9.640 1.00 2.43 N ATOM 890 CA ARG A 59 -2.785 2.085 -10.544 1.00 14.31 C ATOM 891 C ARG A 59 -2.702 0.717 -9.883 1.00 34.31 C ATOM 892 O ARG A 59 -1.742 0.430 -9.156 1.00 5.34 O ATOM 893 CB ARG A 59 -2.026 2.038 -11.891 1.00 33.23 C ATOM 894 CG ARG A 59 -1.839 3.386 -12.604 1.00 13.32 C ATOM 895 CD ARG A 59 -3.149 4.043 -13.030 1.00 71.35 C ATOM 896 NE ARG A 59 -3.846 3.311 -14.100 1.00 41.02 N ATOM 897 CZ ARG A 59 -4.970 3.732 -14.698 1.00 20.22 C ATOM 898 NH1 ARG A 59 -5.541 4.861 -14.321 1.00 24.32 N ATOM 899 NH2 ARG A 59 -5.517 3.020 -15.664 1.00 43.15 N ATOM 0 H ARG A 59 -1.325 2.748 -9.197 1.00 2.43 H new ATOM 0 HA ARG A 59 -3.819 2.367 -10.744 1.00 14.31 H new ATOM 0 HB2 ARG A 59 -1.042 1.602 -11.716 1.00 33.23 H new ATOM 0 HB3 ARG A 59 -2.559 1.365 -12.563 1.00 33.23 H new ATOM 0 HG2 ARG A 59 -1.301 4.065 -11.943 1.00 13.32 H new ATOM 0 HG3 ARG A 59 -1.214 3.237 -13.485 1.00 13.32 H new ATOM 0 HD2 ARG A 59 -3.807 4.121 -12.164 1.00 71.35 H new ATOM 0 HD3 ARG A 59 -2.945 5.059 -13.368 1.00 71.35 H new ATOM 0 HE ARG A 59 -3.447 2.424 -14.407 1.00 41.02 H new ATOM 0 HH11 ARG A 59 -5.127 5.417 -13.572 1.00 24.32 H new ATOM 0 HH12 ARG A 59 -6.396 5.178 -14.778 1.00 24.32 H new ATOM 0 HH21 ARG A 59 -5.085 2.145 -15.960 1.00 43.15 H new ATOM 0 HH22 ARG A 59 -6.372 3.345 -16.116 1.00 43.15 H new ATOM 913 N LEU A 60 -3.689 -0.109 -10.088 1.00 44.21 N ATOM 914 CA LEU A 60 -3.667 -1.417 -9.534 1.00 72.41 C ATOM 915 C LEU A 60 -3.472 -2.510 -10.553 1.00 1.42 C ATOM 916 O LEU A 60 -3.921 -2.409 -11.699 1.00 12.41 O ATOM 917 CB LEU A 60 -4.859 -1.699 -8.631 1.00 24.12 C ATOM 918 CG LEU A 60 -6.262 -1.331 -9.092 1.00 15.32 C ATOM 919 CD1 LEU A 60 -6.536 0.167 -9.036 1.00 12.30 C ATOM 920 CD2 LEU A 60 -6.638 -1.935 -10.433 1.00 43.41 C ATOM 0 H LEU A 60 -4.519 0.110 -10.639 1.00 44.21 H new ATOM 0 HA LEU A 60 -2.777 -1.430 -8.905 1.00 72.41 H new ATOM 0 HB2 LEU A 60 -4.858 -2.767 -8.415 1.00 24.12 H new ATOM 0 HB3 LEU A 60 -4.681 -1.183 -7.687 1.00 24.12 H new ATOM 0 HG LEU A 60 -6.926 -1.792 -8.361 1.00 15.32 H new ATOM 0 HD11 LEU A 60 -7.552 0.364 -9.377 1.00 12.30 H new ATOM 0 HD12 LEU A 60 -6.423 0.520 -8.011 1.00 12.30 H new ATOM 0 HD13 LEU A 60 -5.829 0.690 -9.680 1.00 12.30 H new ATOM 0 HD21 LEU A 60 -7.650 -1.630 -10.698 1.00 43.41 H new ATOM 0 HD22 LEU A 60 -5.943 -1.587 -11.197 1.00 43.41 H new ATOM 0 HD23 LEU A 60 -6.591 -3.022 -10.368 1.00 43.41 H new ATOM 932 N ILE A 61 -2.807 -3.541 -10.133 1.00 22.34 N ATOM 933 CA ILE A 61 -2.570 -4.698 -10.934 1.00 13.44 C ATOM 934 C ILE A 61 -3.244 -5.894 -10.258 1.00 10.14 C ATOM 935 O ILE A 61 -2.910 -6.247 -9.117 1.00 20.44 O ATOM 936 CB ILE A 61 -1.041 -4.985 -11.030 1.00 20.42 C ATOM 937 CG1 ILE A 61 -0.310 -3.816 -11.690 1.00 62.14 C ATOM 938 CG2 ILE A 61 -0.765 -6.286 -11.777 1.00 32.11 C ATOM 939 CD1 ILE A 61 1.196 -3.985 -11.763 1.00 63.31 C ATOM 0 H ILE A 61 -2.404 -3.601 -9.198 1.00 22.34 H new ATOM 0 HA ILE A 61 -2.968 -4.533 -11.935 1.00 13.44 H new ATOM 0 HB ILE A 61 -0.661 -5.098 -10.015 1.00 20.42 H new ATOM 0 HG12 ILE A 61 -0.699 -3.683 -12.700 1.00 62.14 H new ATOM 0 HG13 ILE A 61 -0.536 -2.903 -11.139 1.00 62.14 H new ATOM 0 HG21 ILE A 61 0.311 -6.456 -11.826 1.00 32.11 H new ATOM 0 HG22 ILE A 61 -1.240 -7.115 -11.252 1.00 32.11 H new ATOM 0 HG23 ILE A 61 -1.168 -6.218 -12.787 1.00 32.11 H new ATOM 0 HD11 ILE A 61 1.637 -3.112 -12.245 1.00 63.31 H new ATOM 0 HD12 ILE A 61 1.600 -4.086 -10.756 1.00 63.31 H new ATOM 0 HD13 ILE A 61 1.434 -4.878 -12.341 1.00 63.31 H new ATOM 951 N TYR A 62 -4.172 -6.525 -10.921 1.00 14.40 N ATOM 952 CA TYR A 62 -4.781 -7.696 -10.340 1.00 10.03 C ATOM 953 C TYR A 62 -4.147 -8.893 -10.961 1.00 45.52 C ATOM 954 O TYR A 62 -4.528 -9.350 -12.047 1.00 71.11 O ATOM 955 CB TYR A 62 -6.320 -7.663 -10.464 1.00 41.41 C ATOM 956 CG TYR A 62 -7.099 -8.872 -9.978 1.00 71.44 C ATOM 957 CD1 TYR A 62 -6.763 -9.548 -8.817 1.00 4.12 C ATOM 958 CD2 TYR A 62 -8.208 -9.308 -10.695 1.00 64.11 C ATOM 959 CE1 TYR A 62 -7.509 -10.629 -8.390 1.00 55.22 C ATOM 960 CE2 TYR A 62 -8.958 -10.380 -10.278 1.00 33.11 C ATOM 961 CZ TYR A 62 -8.606 -11.041 -9.129 1.00 72.51 C ATOM 962 OH TYR A 62 -9.351 -12.118 -8.718 1.00 52.51 O ATOM 0 H TYR A 62 -4.519 -6.260 -11.843 1.00 14.40 H new ATOM 0 HA TYR A 62 -4.603 -7.732 -9.265 1.00 10.03 H new ATOM 0 HB2 TYR A 62 -6.681 -6.791 -9.918 1.00 41.41 H new ATOM 0 HB3 TYR A 62 -6.567 -7.506 -11.514 1.00 41.41 H new ATOM 0 HD1 TYR A 62 -5.909 -9.227 -8.240 1.00 4.12 H new ATOM 0 HD2 TYR A 62 -8.486 -8.791 -11.602 1.00 64.11 H new ATOM 0 HE1 TYR A 62 -7.238 -11.151 -7.484 1.00 55.22 H new ATOM 0 HE2 TYR A 62 -9.817 -10.700 -10.849 1.00 33.11 H new ATOM 0 HH TYR A 62 -10.084 -12.270 -9.351 1.00 52.51 H new ATOM 972 N GLN A 63 -3.094 -9.320 -10.285 1.00 41.02 N ATOM 973 CA GLN A 63 -2.240 -10.375 -10.631 1.00 61.54 C ATOM 974 C GLN A 63 -1.337 -10.029 -11.816 1.00 13.23 C ATOM 975 O GLN A 63 -0.138 -9.825 -11.639 1.00 12.13 O ATOM 976 CB GLN A 63 -2.960 -11.666 -10.850 1.00 54.24 C ATOM 977 CG GLN A 63 -1.991 -12.752 -11.020 1.00 1.03 C ATOM 978 CD GLN A 63 -2.623 -14.008 -11.589 1.00 43.01 C ATOM 979 OE1 GLN A 63 -3.596 -13.940 -12.336 1.00 73.02 O ATOM 980 NE2 GLN A 63 -2.089 -15.149 -11.251 1.00 54.05 N ATOM 0 H GLN A 63 -2.816 -8.879 -9.408 1.00 41.02 H new ATOM 0 HA GLN A 63 -1.596 -10.523 -9.764 1.00 61.54 H new ATOM 0 HB2 GLN A 63 -3.612 -11.878 -10.003 1.00 54.24 H new ATOM 0 HB3 GLN A 63 -3.597 -11.593 -11.732 1.00 54.24 H new ATOM 0 HG2 GLN A 63 -1.190 -12.420 -11.681 1.00 1.03 H new ATOM 0 HG3 GLN A 63 -1.535 -12.982 -10.057 1.00 1.03 H new ATOM 0 HE21 GLN A 63 -1.281 -15.170 -10.629 1.00 54.05 H new ATOM 0 HE22 GLN A 63 -2.479 -16.021 -11.609 1.00 54.05 H new ATOM 989 N GLY A 64 -1.905 -9.924 -12.993 1.00 43.45 N ATOM 990 CA GLY A 64 -1.097 -9.728 -14.161 1.00 62.25 C ATOM 991 C GLY A 64 -1.130 -8.333 -14.739 1.00 60.43 C ATOM 992 O GLY A 64 -0.073 -7.759 -15.014 1.00 45.21 O ATOM 0 H GLY A 64 -2.910 -9.971 -13.162 1.00 43.45 H new ATOM 0 HA2 GLY A 64 -0.065 -9.978 -13.915 1.00 62.25 H new ATOM 0 HA3 GLY A 64 -1.421 -10.430 -14.929 1.00 62.25 H new ATOM 996 N ARG A 65 -2.305 -7.761 -14.911 1.00 53.04 N ATOM 997 CA ARG A 65 -2.393 -6.476 -15.610 1.00 23.21 C ATOM 998 C ARG A 65 -3.087 -5.398 -14.788 1.00 33.40 C ATOM 999 O ARG A 65 -3.669 -5.689 -13.740 1.00 11.13 O ATOM 1000 CB ARG A 65 -3.023 -6.656 -17.038 1.00 12.10 C ATOM 1001 CG ARG A 65 -4.479 -7.182 -17.108 1.00 13.21 C ATOM 1002 CD ARG A 65 -5.513 -6.123 -16.724 1.00 2.01 C ATOM 1003 NE ARG A 65 -6.889 -6.637 -16.753 1.00 45.03 N ATOM 1004 CZ ARG A 65 -7.993 -5.897 -16.995 1.00 72.41 C ATOM 1005 NH1 ARG A 65 -7.886 -4.597 -17.302 1.00 32.54 N ATOM 1006 NH2 ARG A 65 -9.195 -6.467 -16.934 1.00 51.35 N ATOM 0 H ARG A 65 -3.194 -8.145 -14.590 1.00 53.04 H new ATOM 0 HA ARG A 65 -1.374 -6.113 -15.748 1.00 23.21 H new ATOM 0 HB2 ARG A 65 -2.987 -5.693 -17.547 1.00 12.10 H new ATOM 0 HB3 ARG A 65 -2.389 -7.339 -17.603 1.00 12.10 H new ATOM 0 HG2 ARG A 65 -4.685 -7.534 -18.119 1.00 13.21 H new ATOM 0 HG3 ARG A 65 -4.582 -8.041 -16.445 1.00 13.21 H new ATOM 0 HD2 ARG A 65 -5.290 -5.749 -15.725 1.00 2.01 H new ATOM 0 HD3 ARG A 65 -5.431 -5.277 -17.406 1.00 2.01 H new ATOM 0 HE ARG A 65 -7.021 -7.633 -16.576 1.00 45.03 H new ATOM 0 HH11 ARG A 65 -6.966 -4.159 -17.354 1.00 32.54 H new ATOM 0 HH12 ARG A 65 -8.724 -4.045 -17.483 1.00 32.54 H new ATOM 0 HH21 ARG A 65 -9.279 -7.458 -16.705 1.00 51.35 H new ATOM 0 HH22 ARG A 65 -10.032 -5.913 -17.116 1.00 51.35 H new ATOM 1020 N PHE A 66 -3.024 -4.165 -15.277 1.00 64.24 N ATOM 1021 CA PHE A 66 -3.637 -3.020 -14.618 1.00 31.11 C ATOM 1022 C PHE A 66 -5.104 -2.958 -15.011 1.00 73.21 C ATOM 1023 O PHE A 66 -5.431 -2.853 -16.195 1.00 33.12 O ATOM 1024 CB PHE A 66 -2.973 -1.715 -15.066 1.00 15.12 C ATOM 1025 CG PHE A 66 -1.487 -1.616 -14.856 1.00 12.41 C ATOM 1026 CD1 PHE A 66 -0.603 -2.083 -15.821 1.00 2.14 C ATOM 1027 CD2 PHE A 66 -0.975 -1.043 -13.715 1.00 54.51 C ATOM 1028 CE1 PHE A 66 0.760 -1.978 -15.642 1.00 72.50 C ATOM 1029 CE2 PHE A 66 0.387 -0.934 -13.533 1.00 43.10 C ATOM 1030 CZ PHE A 66 1.257 -1.403 -14.495 1.00 60.35 C ATOM 0 H PHE A 66 -2.544 -3.931 -16.146 1.00 64.24 H new ATOM 0 HA PHE A 66 -3.518 -3.135 -13.541 1.00 31.11 H new ATOM 0 HB2 PHE A 66 -3.179 -1.573 -16.127 1.00 15.12 H new ATOM 0 HB3 PHE A 66 -3.449 -0.890 -14.536 1.00 15.12 H new ATOM 0 HD1 PHE A 66 -0.989 -2.534 -16.723 1.00 2.14 H new ATOM 0 HD2 PHE A 66 -1.647 -0.675 -12.954 1.00 54.51 H new ATOM 0 HE1 PHE A 66 1.436 -2.346 -16.400 1.00 72.50 H new ATOM 0 HE2 PHE A 66 0.775 -0.479 -12.633 1.00 43.10 H new ATOM 0 HZ PHE A 66 2.324 -1.319 -14.349 1.00 60.35 H new ATOM 1040 N LEU A 67 -5.977 -3.073 -14.050 1.00 12.14 N ATOM 1041 CA LEU A 67 -7.407 -3.036 -14.326 1.00 34.20 C ATOM 1042 C LEU A 67 -7.949 -1.650 -14.490 1.00 62.42 C ATOM 1043 O LEU A 67 -8.696 -1.377 -15.438 1.00 41.32 O ATOM 1044 CB LEU A 67 -8.243 -3.834 -13.320 1.00 51.42 C ATOM 1045 CG LEU A 67 -8.120 -5.358 -13.402 1.00 2.02 C ATOM 1046 CD1 LEU A 67 -6.743 -5.824 -13.074 1.00 64.41 C ATOM 1047 CD2 LEU A 67 -9.166 -6.034 -12.540 1.00 64.41 C ATOM 0 H LEU A 67 -5.736 -3.193 -13.066 1.00 12.14 H new ATOM 0 HA LEU A 67 -7.504 -3.533 -15.291 1.00 34.20 H new ATOM 0 HB2 LEU A 67 -7.962 -3.521 -12.315 1.00 51.42 H new ATOM 0 HB3 LEU A 67 -9.291 -3.566 -13.456 1.00 51.42 H new ATOM 0 HG LEU A 67 -8.308 -5.648 -14.436 1.00 2.02 H new ATOM 0 HD11 LEU A 67 -6.700 -6.911 -13.144 1.00 64.41 H new ATOM 0 HD12 LEU A 67 -6.034 -5.387 -13.777 1.00 64.41 H new ATOM 0 HD13 LEU A 67 -6.486 -5.516 -12.061 1.00 64.41 H new ATOM 0 HD21 LEU A 67 -9.057 -7.116 -12.616 1.00 64.41 H new ATOM 0 HD22 LEU A 67 -9.035 -5.728 -11.502 1.00 64.41 H new ATOM 0 HD23 LEU A 67 -10.160 -5.745 -12.881 1.00 64.41 H new ATOM 1059 N HIS A 68 -7.578 -0.766 -13.601 1.00 11.15 N ATOM 1060 CA HIS A 68 -8.142 0.554 -13.594 1.00 50.25 C ATOM 1061 C HIS A 68 -7.301 1.386 -12.636 1.00 32.41 C ATOM 1062 O HIS A 68 -6.427 0.841 -11.974 1.00 51.42 O ATOM 1063 CB HIS A 68 -9.602 0.433 -13.074 1.00 41.32 C ATOM 1064 CG HIS A 68 -10.528 1.531 -13.485 1.00 35.44 C ATOM 1065 ND1 HIS A 68 -11.255 2.293 -12.600 1.00 1.25 N ATOM 1066 CD2 HIS A 68 -10.896 1.943 -14.712 1.00 45.14 C ATOM 1067 CE1 HIS A 68 -12.016 3.123 -13.274 1.00 2.04 C ATOM 1068 NE2 HIS A 68 -11.816 2.932 -14.553 1.00 31.04 N ATOM 0 H HIS A 68 -6.886 -0.939 -12.872 1.00 11.15 H new ATOM 0 HA HIS A 68 -8.148 1.018 -14.580 1.00 50.25 H new ATOM 0 HB2 HIS A 68 -10.015 -0.514 -13.421 1.00 41.32 H new ATOM 0 HB3 HIS A 68 -9.578 0.391 -11.985 1.00 41.32 H new ATOM 0 HD1 HIS A 68 -11.210 2.224 -11.583 1.00 1.25 H new ATOM 0 HD2 HIS A 68 -10.528 1.558 -15.652 1.00 45.14 H new ATOM 0 HE1 HIS A 68 -12.695 3.844 -12.844 1.00 2.04 H new ATOM 1077 N GLY A 69 -7.532 2.670 -12.582 1.00 52.32 N ATOM 1078 CA GLY A 69 -6.829 3.527 -11.629 1.00 75.33 C ATOM 1079 C GLY A 69 -7.514 3.546 -10.279 1.00 35.13 C ATOM 1080 O GLY A 69 -7.047 4.168 -9.334 1.00 42.15 O ATOM 0 H GLY A 69 -8.198 3.158 -13.181 1.00 52.32 H new ATOM 0 HA2 GLY A 69 -5.804 3.176 -11.512 1.00 75.33 H new ATOM 0 HA3 GLY A 69 -6.775 4.542 -12.024 1.00 75.33 H new ATOM 1084 N ASN A 70 -8.617 2.831 -10.202 1.00 31.44 N ATOM 1085 CA ASN A 70 -9.469 2.769 -9.028 1.00 42.23 C ATOM 1086 C ASN A 70 -10.565 1.767 -9.314 1.00 63.34 C ATOM 1087 O ASN A 70 -11.610 2.122 -9.833 1.00 30.14 O ATOM 1088 CB ASN A 70 -10.093 4.168 -8.703 1.00 55.14 C ATOM 1089 CG ASN A 70 -11.001 4.201 -7.459 1.00 24.54 C ATOM 1090 OD1 ASN A 70 -11.639 3.216 -7.097 1.00 75.42 O ATOM 1091 ND2 ASN A 70 -11.066 5.338 -6.814 1.00 34.13 N ATOM 0 H ASN A 70 -8.957 2.260 -10.976 1.00 31.44 H new ATOM 0 HA ASN A 70 -8.880 2.469 -8.161 1.00 42.23 H new ATOM 0 HB2 ASN A 70 -9.285 4.886 -8.564 1.00 55.14 H new ATOM 0 HB3 ASN A 70 -10.671 4.501 -9.565 1.00 55.14 H new ATOM 0 HD21 ASN A 70 -11.658 5.422 -5.988 1.00 34.13 H new ATOM 0 HD22 ASN A 70 -10.525 6.140 -7.138 1.00 34.13 H new ATOM 1098 N VAL A 71 -10.253 0.512 -9.157 1.00 42.31 N ATOM 1099 CA VAL A 71 -11.246 -0.532 -9.304 1.00 1.40 C ATOM 1100 C VAL A 71 -11.607 -1.030 -7.895 1.00 42.42 C ATOM 1101 O VAL A 71 -10.767 -0.919 -6.972 1.00 13.43 O ATOM 1102 CB VAL A 71 -10.728 -1.699 -10.210 1.00 72.04 C ATOM 1103 CG1 VAL A 71 -9.769 -2.624 -9.498 1.00 23.53 C ATOM 1104 CG2 VAL A 71 -11.856 -2.451 -10.896 1.00 32.42 C ATOM 0 H VAL A 71 -9.317 0.179 -8.926 1.00 42.31 H new ATOM 0 HA VAL A 71 -12.132 -0.137 -9.802 1.00 1.40 H new ATOM 0 HB VAL A 71 -10.149 -1.221 -11.000 1.00 72.04 H new ATOM 0 HG11 VAL A 71 -9.448 -3.411 -10.181 1.00 23.53 H new ATOM 0 HG12 VAL A 71 -8.900 -2.058 -9.161 1.00 23.53 H new ATOM 0 HG13 VAL A 71 -10.266 -3.071 -8.637 1.00 23.53 H new ATOM 0 HG21 VAL A 71 -11.440 -3.249 -11.511 1.00 32.42 H new ATOM 0 HG22 VAL A 71 -12.518 -2.880 -10.144 1.00 32.42 H new ATOM 0 HG23 VAL A 71 -12.421 -1.764 -11.526 1.00 32.42 H new ATOM 1114 N THR A 72 -12.802 -1.519 -7.700 1.00 11.43 N ATOM 1115 CA THR A 72 -13.166 -2.069 -6.424 1.00 13.13 C ATOM 1116 C THR A 72 -12.870 -3.557 -6.391 1.00 62.25 C ATOM 1117 O THR A 72 -12.772 -4.202 -7.443 1.00 73.04 O ATOM 1118 CB THR A 72 -14.643 -1.821 -6.100 1.00 10.11 C ATOM 1119 OG1 THR A 72 -15.463 -2.264 -7.196 1.00 71.13 O ATOM 1120 CG2 THR A 72 -14.904 -0.351 -5.806 1.00 60.42 C ATOM 0 H THR A 72 -13.537 -1.548 -8.406 1.00 11.43 H new ATOM 0 HA THR A 72 -12.569 -1.564 -5.665 1.00 13.13 H new ATOM 0 HB THR A 72 -14.898 -2.390 -5.206 1.00 10.11 H new ATOM 0 HG1 THR A 72 -16.406 -2.105 -6.984 1.00 71.13 H new ATOM 0 HG21 THR A 72 -15.961 -0.207 -5.580 1.00 60.42 H new ATOM 0 HG22 THR A 72 -14.304 -0.039 -4.951 1.00 60.42 H new ATOM 0 HG23 THR A 72 -14.635 0.248 -6.676 1.00 60.42 H new ATOM 1128 N LEU A 73 -12.724 -4.107 -5.200 1.00 23.41 N ATOM 1129 CA LEU A 73 -12.426 -5.509 -5.049 1.00 35.15 C ATOM 1130 C LEU A 73 -13.625 -6.362 -5.461 1.00 22.45 C ATOM 1131 O LEU A 73 -13.471 -7.472 -5.947 1.00 4.33 O ATOM 1132 CB LEU A 73 -12.004 -5.825 -3.617 1.00 13.33 C ATOM 1133 CG LEU A 73 -10.795 -5.052 -3.067 1.00 12.21 C ATOM 1134 CD1 LEU A 73 -9.642 -5.017 -4.052 1.00 44.23 C ATOM 1135 CD2 LEU A 73 -11.158 -3.668 -2.570 1.00 1.32 C ATOM 0 H LEU A 73 -12.809 -3.596 -4.321 1.00 23.41 H new ATOM 0 HA LEU A 73 -11.592 -5.751 -5.707 1.00 35.15 H new ATOM 0 HB2 LEU A 73 -12.855 -5.637 -2.962 1.00 13.33 H new ATOM 0 HB3 LEU A 73 -11.784 -6.891 -3.555 1.00 13.33 H new ATOM 0 HG LEU A 73 -10.453 -5.609 -2.195 1.00 12.21 H new ATOM 0 HD11 LEU A 73 -8.811 -4.460 -3.619 1.00 44.23 H new ATOM 0 HD12 LEU A 73 -9.321 -6.035 -4.273 1.00 44.23 H new ATOM 0 HD13 LEU A 73 -9.965 -4.531 -4.973 1.00 44.23 H new ATOM 0 HD21 LEU A 73 -10.264 -3.171 -2.194 1.00 1.32 H new ATOM 0 HD22 LEU A 73 -11.579 -3.086 -3.390 1.00 1.32 H new ATOM 0 HD23 LEU A 73 -11.892 -3.750 -1.768 1.00 1.32 H new ATOM 1147 N GLY A 74 -14.825 -5.822 -5.268 1.00 64.00 N ATOM 1148 CA GLY A 74 -16.030 -6.512 -5.702 1.00 25.44 C ATOM 1149 C GLY A 74 -16.051 -6.684 -7.214 1.00 72.41 C ATOM 1150 O GLY A 74 -16.503 -7.713 -7.734 1.00 21.23 O ATOM 0 H GLY A 74 -14.986 -4.920 -4.820 1.00 64.00 H new ATOM 0 HA2 GLY A 74 -16.086 -7.489 -5.221 1.00 25.44 H new ATOM 0 HA3 GLY A 74 -16.908 -5.950 -5.385 1.00 25.44 H new ATOM 1154 N ALA A 75 -15.516 -5.691 -7.914 1.00 10.23 N ATOM 1155 CA ALA A 75 -15.436 -5.693 -9.372 1.00 10.35 C ATOM 1156 C ALA A 75 -14.426 -6.727 -9.871 1.00 21.11 C ATOM 1157 O ALA A 75 -14.412 -7.083 -11.053 1.00 0.40 O ATOM 1158 CB ALA A 75 -15.087 -4.303 -9.890 1.00 34.21 C ATOM 0 H ALA A 75 -15.122 -4.854 -7.484 1.00 10.23 H new ATOM 0 HA ALA A 75 -16.415 -5.971 -9.762 1.00 10.35 H new ATOM 0 HB1 ALA A 75 -15.032 -4.324 -10.978 1.00 34.21 H new ATOM 0 HB2 ALA A 75 -15.855 -3.595 -9.579 1.00 34.21 H new ATOM 0 HB3 ALA A 75 -14.124 -3.994 -9.484 1.00 34.21 H new ATOM 1164 N LEU A 76 -13.579 -7.200 -8.964 1.00 73.42 N ATOM 1165 CA LEU A 76 -12.560 -8.201 -9.276 1.00 55.40 C ATOM 1166 C LEU A 76 -13.156 -9.606 -9.184 1.00 44.41 C ATOM 1167 O LEU A 76 -12.478 -10.601 -9.450 1.00 63.45 O ATOM 1168 CB LEU A 76 -11.426 -8.106 -8.276 1.00 55.52 C ATOM 1169 CG LEU A 76 -10.772 -6.752 -8.102 1.00 13.20 C ATOM 1170 CD1 LEU A 76 -9.696 -6.853 -7.076 1.00 23.25 C ATOM 1171 CD2 LEU A 76 -10.201 -6.263 -9.395 1.00 44.31 C ATOM 0 H LEU A 76 -13.578 -6.901 -7.989 1.00 73.42 H new ATOM 0 HA LEU A 76 -12.194 -8.015 -10.286 1.00 55.40 H new ATOM 0 HB2 LEU A 76 -11.803 -8.427 -7.305 1.00 55.52 H new ATOM 0 HB3 LEU A 76 -10.655 -8.819 -8.570 1.00 55.52 H new ATOM 0 HG LEU A 76 -11.527 -6.038 -7.775 1.00 13.20 H new ATOM 0 HD11 LEU A 76 -9.223 -5.879 -6.948 1.00 23.25 H new ATOM 0 HD12 LEU A 76 -10.127 -7.175 -6.128 1.00 23.25 H new ATOM 0 HD13 LEU A 76 -8.951 -7.579 -7.401 1.00 23.25 H new ATOM 0 HD21 LEU A 76 -9.737 -5.289 -9.242 1.00 44.31 H new ATOM 0 HD22 LEU A 76 -9.452 -6.970 -9.752 1.00 44.31 H new ATOM 0 HD23 LEU A 76 -10.997 -6.174 -10.134 1.00 44.31 H new ATOM 1183 N LYS A 77 -14.439 -9.659 -8.816 1.00 55.15 N ATOM 1184 CA LYS A 77 -15.193 -10.902 -8.618 1.00 24.45 C ATOM 1185 C LYS A 77 -14.578 -11.687 -7.475 1.00 33.22 C ATOM 1186 O LYS A 77 -13.879 -12.688 -7.679 1.00 53.52 O ATOM 1187 CB LYS A 77 -15.326 -11.802 -9.900 1.00 12.32 C ATOM 1188 CG LYS A 77 -15.943 -11.139 -11.155 1.00 42.11 C ATOM 1189 CD LYS A 77 -15.006 -10.108 -11.763 1.00 1.15 C ATOM 1190 CE LYS A 77 -15.572 -9.455 -13.002 1.00 25.42 C ATOM 1191 NZ LYS A 77 -14.643 -8.427 -13.530 1.00 12.40 N ATOM 0 H LYS A 77 -14.995 -8.822 -8.643 1.00 55.15 H new ATOM 0 HA LYS A 77 -16.214 -10.605 -8.377 1.00 24.45 H new ATOM 0 HB2 LYS A 77 -14.334 -12.169 -10.162 1.00 12.32 H new ATOM 0 HB3 LYS A 77 -15.930 -12.672 -9.643 1.00 12.32 H new ATOM 0 HG2 LYS A 77 -16.172 -11.905 -11.896 1.00 42.11 H new ATOM 0 HG3 LYS A 77 -16.886 -10.662 -10.888 1.00 42.11 H new ATOM 0 HD2 LYS A 77 -14.789 -9.340 -11.021 1.00 1.15 H new ATOM 0 HD3 LYS A 77 -14.059 -10.587 -12.012 1.00 1.15 H new ATOM 0 HE2 LYS A 77 -15.755 -10.211 -13.765 1.00 25.42 H new ATOM 0 HE3 LYS A 77 -16.533 -8.997 -12.770 1.00 25.42 H new ATOM 0 HZ1 LYS A 77 -15.102 -7.911 -14.308 1.00 12.40 H new ATOM 0 HZ2 LYS A 77 -14.395 -7.761 -12.771 1.00 12.40 H new ATOM 0 HZ3 LYS A 77 -13.780 -8.887 -13.882 1.00 12.40 H new ATOM 1205 N LEU A 78 -14.782 -11.194 -6.279 1.00 14.05 N ATOM 1206 CA LEU A 78 -14.181 -11.787 -5.112 1.00 71.14 C ATOM 1207 C LEU A 78 -15.215 -12.135 -4.079 1.00 23.35 C ATOM 1208 O LEU A 78 -15.937 -11.254 -3.591 1.00 61.22 O ATOM 1209 CB LEU A 78 -13.162 -10.835 -4.490 1.00 70.32 C ATOM 1210 CG LEU A 78 -12.002 -10.408 -5.377 1.00 71.33 C ATOM 1211 CD1 LEU A 78 -11.102 -9.451 -4.633 1.00 1.45 C ATOM 1212 CD2 LEU A 78 -11.217 -11.609 -5.858 1.00 1.02 C ATOM 0 H LEU A 78 -15.364 -10.378 -6.088 1.00 14.05 H new ATOM 0 HA LEU A 78 -13.683 -12.701 -5.436 1.00 71.14 H new ATOM 0 HB2 LEU A 78 -13.688 -9.939 -4.162 1.00 70.32 H new ATOM 0 HB3 LEU A 78 -12.753 -11.309 -3.598 1.00 70.32 H new ATOM 0 HG LEU A 78 -12.409 -9.900 -6.251 1.00 71.33 H new ATOM 0 HD11 LEU A 78 -10.276 -9.153 -5.278 1.00 1.45 H new ATOM 0 HD12 LEU A 78 -11.671 -8.569 -4.341 1.00 1.45 H new ATOM 0 HD13 LEU A 78 -10.708 -9.940 -3.742 1.00 1.45 H new ATOM 0 HD21 LEU A 78 -10.394 -11.276 -6.490 1.00 1.02 H new ATOM 0 HD22 LEU A 78 -10.820 -12.151 -5.000 1.00 1.02 H new ATOM 0 HD23 LEU A 78 -11.872 -12.266 -6.431 1.00 1.02 H new ATOM 1224 N PRO A 79 -15.343 -13.418 -3.760 1.00 32.43 N ATOM 1225 CA PRO A 79 -16.188 -13.868 -2.667 1.00 20.51 C ATOM 1226 C PRO A 79 -15.564 -13.470 -1.315 1.00 34.51 C ATOM 1227 O PRO A 79 -14.330 -13.347 -1.193 1.00 4.53 O ATOM 1228 CB PRO A 79 -16.203 -15.400 -2.826 1.00 74.23 C ATOM 1229 CG PRO A 79 -15.653 -15.659 -4.188 1.00 12.11 C ATOM 1230 CD PRO A 79 -14.705 -14.539 -4.457 1.00 2.03 C ATOM 0 HA PRO A 79 -17.187 -13.432 -2.689 1.00 20.51 H new ATOM 0 HB2 PRO A 79 -15.596 -15.881 -2.059 1.00 74.23 H new ATOM 0 HB3 PRO A 79 -17.214 -15.796 -2.728 1.00 74.23 H new ATOM 0 HG2 PRO A 79 -15.144 -16.622 -4.229 1.00 12.11 H new ATOM 0 HG3 PRO A 79 -16.448 -15.687 -4.933 1.00 12.11 H new ATOM 0 HD2 PRO A 79 -13.709 -14.747 -4.067 1.00 2.03 H new ATOM 0 HD3 PRO A 79 -14.596 -14.346 -5.524 1.00 2.03 H new ATOM 1238 N PHE A 80 -16.394 -13.283 -0.319 1.00 3.43 N ATOM 1239 CA PHE A 80 -15.937 -12.843 0.986 1.00 64.34 C ATOM 1240 C PHE A 80 -15.290 -14.010 1.692 1.00 52.12 C ATOM 1241 O PHE A 80 -15.683 -15.162 1.490 1.00 14.20 O ATOM 1242 CB PHE A 80 -17.110 -12.371 1.848 1.00 61.20 C ATOM 1243 CG PHE A 80 -18.041 -11.396 1.194 1.00 41.11 C ATOM 1244 CD1 PHE A 80 -17.582 -10.438 0.314 1.00 2.03 C ATOM 1245 CD2 PHE A 80 -19.388 -11.468 1.448 1.00 3.31 C ATOM 1246 CE1 PHE A 80 -18.453 -9.561 -0.292 1.00 53.20 C ATOM 1247 CE2 PHE A 80 -20.268 -10.600 0.850 1.00 11.23 C ATOM 1248 CZ PHE A 80 -19.801 -9.644 -0.024 1.00 20.41 C ATOM 0 H PHE A 80 -17.401 -13.429 -0.384 1.00 3.43 H new ATOM 0 HA PHE A 80 -15.237 -12.020 0.845 1.00 64.34 H new ATOM 0 HB2 PHE A 80 -17.685 -13.244 2.157 1.00 61.20 H new ATOM 0 HB3 PHE A 80 -16.712 -11.914 2.754 1.00 61.20 H new ATOM 0 HD1 PHE A 80 -16.526 -10.375 0.098 1.00 2.03 H new ATOM 0 HD2 PHE A 80 -19.761 -12.219 2.129 1.00 3.31 H new ATOM 0 HE1 PHE A 80 -18.081 -8.811 -0.974 1.00 53.20 H new ATOM 0 HE2 PHE A 80 -21.324 -10.667 1.065 1.00 11.23 H new ATOM 0 HZ PHE A 80 -20.490 -8.961 -0.498 1.00 20.41 H new ATOM 1258 N GLY A 81 -14.319 -13.738 2.506 1.00 32.22 N ATOM 1259 CA GLY A 81 -13.671 -14.805 3.229 1.00 63.24 C ATOM 1260 C GLY A 81 -12.468 -15.358 2.511 1.00 34.31 C ATOM 1261 O GLY A 81 -11.687 -16.111 3.089 1.00 34.23 O ATOM 0 H GLY A 81 -13.956 -12.803 2.690 1.00 32.22 H new ATOM 0 HA2 GLY A 81 -13.365 -14.439 4.209 1.00 63.24 H new ATOM 0 HA3 GLY A 81 -14.387 -15.609 3.398 1.00 63.24 H new ATOM 1265 N LYS A 82 -12.295 -14.978 1.273 1.00 41.03 N ATOM 1266 CA LYS A 82 -11.210 -15.492 0.497 1.00 53.41 C ATOM 1267 C LYS A 82 -10.071 -14.513 0.408 1.00 51.01 C ATOM 1268 O LYS A 82 -10.279 -13.296 0.261 1.00 2.53 O ATOM 1269 CB LYS A 82 -11.679 -15.907 -0.877 1.00 61.14 C ATOM 1270 CG LYS A 82 -12.719 -17.000 -0.824 1.00 11.12 C ATOM 1271 CD LYS A 82 -13.076 -17.462 -2.194 1.00 52.31 C ATOM 1272 CE LYS A 82 -14.154 -18.539 -2.157 1.00 62.33 C ATOM 1273 NZ LYS A 82 -13.726 -19.747 -1.408 1.00 61.40 N ATOM 0 H LYS A 82 -12.895 -14.313 0.784 1.00 41.03 H new ATOM 0 HA LYS A 82 -10.834 -16.377 1.010 1.00 53.41 H new ATOM 0 HB2 LYS A 82 -12.092 -15.041 -1.394 1.00 61.14 H new ATOM 0 HB3 LYS A 82 -10.825 -16.250 -1.461 1.00 61.14 H new ATOM 0 HG2 LYS A 82 -12.341 -17.839 -0.240 1.00 11.12 H new ATOM 0 HG3 LYS A 82 -13.611 -16.634 -0.315 1.00 11.12 H new ATOM 0 HD2 LYS A 82 -13.426 -16.616 -2.785 1.00 52.31 H new ATOM 0 HD3 LYS A 82 -12.188 -17.852 -2.691 1.00 52.31 H new ATOM 0 HE2 LYS A 82 -15.055 -18.131 -1.698 1.00 62.33 H new ATOM 0 HE3 LYS A 82 -14.416 -18.822 -3.177 1.00 62.33 H new ATOM 0 HZ1 LYS A 82 -14.410 -20.514 -1.567 1.00 61.40 H new ATOM 0 HZ2 LYS A 82 -12.787 -20.046 -1.739 1.00 61.40 H new ATOM 0 HZ3 LYS A 82 -13.681 -19.528 -0.392 1.00 61.40 H new ATOM 1287 N THR A 83 -8.878 -15.036 0.515 1.00 35.43 N ATOM 1288 CA THR A 83 -7.681 -14.258 0.466 1.00 1.53 C ATOM 1289 C THR A 83 -7.332 -13.935 -0.976 1.00 25.02 C ATOM 1290 O THR A 83 -7.118 -14.829 -1.796 1.00 14.04 O ATOM 1291 CB THR A 83 -6.522 -15.034 1.112 1.00 32.04 C ATOM 1292 OG1 THR A 83 -6.907 -15.446 2.432 1.00 73.24 O ATOM 1293 CG2 THR A 83 -5.274 -14.167 1.205 1.00 31.03 C ATOM 0 H THR A 83 -8.714 -16.035 0.641 1.00 35.43 H new ATOM 0 HA THR A 83 -7.843 -13.330 1.015 1.00 1.53 H new ATOM 0 HB THR A 83 -6.298 -15.903 0.493 1.00 32.04 H new ATOM 0 HG1 THR A 83 -6.171 -15.943 2.847 1.00 73.24 H new ATOM 0 HG21 THR A 83 -4.468 -14.738 1.665 1.00 31.03 H new ATOM 0 HG22 THR A 83 -4.972 -13.855 0.205 1.00 31.03 H new ATOM 0 HG23 THR A 83 -5.487 -13.286 1.811 1.00 31.03 H new ATOM 1301 N THR A 84 -7.309 -12.685 -1.283 1.00 64.02 N ATOM 1302 CA THR A 84 -6.969 -12.241 -2.595 1.00 42.20 C ATOM 1303 C THR A 84 -5.696 -11.408 -2.537 1.00 61.32 C ATOM 1304 O THR A 84 -5.584 -10.509 -1.721 1.00 60.43 O ATOM 1305 CB THR A 84 -8.110 -11.400 -3.165 1.00 5.40 C ATOM 1306 OG1 THR A 84 -9.329 -12.164 -3.069 1.00 14.21 O ATOM 1307 CG2 THR A 84 -7.839 -11.055 -4.625 1.00 15.04 C ATOM 0 H THR A 84 -7.527 -11.934 -0.628 1.00 64.02 H new ATOM 0 HA THR A 84 -6.805 -13.106 -3.238 1.00 42.20 H new ATOM 0 HB THR A 84 -8.196 -10.471 -2.601 1.00 5.40 H new ATOM 0 HG1 THR A 84 -9.975 -11.681 -2.512 1.00 14.21 H new ATOM 0 HG21 THR A 84 -8.661 -10.456 -5.016 1.00 15.04 H new ATOM 0 HG22 THR A 84 -6.910 -10.489 -4.699 1.00 15.04 H new ATOM 0 HG23 THR A 84 -7.751 -11.973 -5.206 1.00 15.04 H new ATOM 1315 N VAL A 85 -4.743 -11.726 -3.369 1.00 24.22 N ATOM 1316 CA VAL A 85 -3.506 -10.979 -3.420 1.00 43.35 C ATOM 1317 C VAL A 85 -3.488 -10.082 -4.666 1.00 23.40 C ATOM 1318 O VAL A 85 -3.964 -10.482 -5.736 1.00 11.50 O ATOM 1319 CB VAL A 85 -2.268 -11.932 -3.384 1.00 31.31 C ATOM 1320 CG1 VAL A 85 -2.285 -12.921 -4.537 1.00 14.32 C ATOM 1321 CG2 VAL A 85 -0.972 -11.150 -3.374 1.00 70.30 C ATOM 0 H VAL A 85 -4.796 -12.503 -4.028 1.00 24.22 H new ATOM 0 HA VAL A 85 -3.446 -10.343 -2.537 1.00 43.35 H new ATOM 0 HB VAL A 85 -2.331 -12.501 -2.456 1.00 31.31 H new ATOM 0 HG11 VAL A 85 -1.408 -13.566 -4.476 1.00 14.32 H new ATOM 0 HG12 VAL A 85 -3.187 -13.530 -4.481 1.00 14.32 H new ATOM 0 HG13 VAL A 85 -2.272 -12.378 -5.482 1.00 14.32 H new ATOM 0 HG21 VAL A 85 -0.130 -11.842 -3.349 1.00 70.30 H new ATOM 0 HG22 VAL A 85 -0.911 -10.536 -4.273 1.00 70.30 H new ATOM 0 HG23 VAL A 85 -0.941 -10.508 -2.493 1.00 70.30 H new ATOM 1331 N MET A 86 -2.980 -8.874 -4.528 1.00 14.33 N ATOM 1332 CA MET A 86 -2.917 -7.922 -5.628 1.00 41.14 C ATOM 1333 C MET A 86 -1.610 -7.200 -5.638 1.00 42.11 C ATOM 1334 O MET A 86 -0.959 -7.059 -4.604 1.00 75.32 O ATOM 1335 CB MET A 86 -4.053 -6.898 -5.589 1.00 54.33 C ATOM 1336 CG MET A 86 -5.431 -7.482 -5.778 1.00 60.04 C ATOM 1337 SD MET A 86 -6.719 -6.233 -5.762 1.00 54.24 S ATOM 1338 CE MET A 86 -6.320 -5.306 -7.236 1.00 12.12 C ATOM 0 H MET A 86 -2.598 -8.521 -3.651 1.00 14.33 H new ATOM 0 HA MET A 86 -3.022 -8.510 -6.540 1.00 41.14 H new ATOM 0 HB2 MET A 86 -4.022 -6.376 -4.632 1.00 54.33 H new ATOM 0 HB3 MET A 86 -3.879 -6.152 -6.365 1.00 54.33 H new ATOM 0 HG2 MET A 86 -5.466 -8.022 -6.724 1.00 60.04 H new ATOM 0 HG3 MET A 86 -5.625 -8.208 -4.989 1.00 60.04 H new ATOM 0 HE1 MET A 86 -7.239 -4.946 -7.699 1.00 12.12 H new ATOM 0 HE2 MET A 86 -5.689 -4.457 -6.972 1.00 12.12 H new ATOM 0 HE3 MET A 86 -5.788 -5.949 -7.937 1.00 12.12 H new ATOM 1348 N HIS A 87 -1.214 -6.754 -6.794 1.00 65.42 N ATOM 1349 CA HIS A 87 -0.003 -5.994 -6.942 1.00 2.21 C ATOM 1350 C HIS A 87 -0.383 -4.546 -7.187 1.00 21.44 C ATOM 1351 O HIS A 87 -1.224 -4.259 -8.019 1.00 72.22 O ATOM 1352 CB HIS A 87 0.857 -6.511 -8.092 1.00 21.13 C ATOM 1353 CG HIS A 87 1.382 -7.927 -7.929 1.00 20.25 C ATOM 1354 ND1 HIS A 87 2.606 -8.201 -7.365 1.00 22.14 N ATOM 1355 CD2 HIS A 87 0.860 -9.148 -8.277 1.00 43.44 C ATOM 1356 CE1 HIS A 87 2.817 -9.496 -7.369 1.00 45.05 C ATOM 1357 NE2 HIS A 87 1.779 -10.091 -7.911 1.00 75.12 N ATOM 0 H HIS A 87 -1.722 -6.907 -7.665 1.00 65.42 H new ATOM 0 HA HIS A 87 0.590 -6.091 -6.033 1.00 2.21 H new ATOM 0 HB2 HIS A 87 0.272 -6.462 -9.011 1.00 21.13 H new ATOM 0 HB3 HIS A 87 1.706 -5.839 -8.218 1.00 21.13 H new ATOM 0 HD2 HIS A 87 -0.094 -9.329 -8.750 1.00 43.44 H new ATOM 0 HE1 HIS A 87 3.699 -9.991 -6.989 1.00 45.05 H new ATOM 0 HE2 HIS A 87 1.675 -11.098 -8.039 1.00 75.12 H new ATOM 1366 N LEU A 88 0.188 -3.653 -6.453 1.00 23.40 N ATOM 1367 CA LEU A 88 -0.182 -2.263 -6.555 1.00 42.10 C ATOM 1368 C LEU A 88 1.009 -1.430 -6.890 1.00 11.21 C ATOM 1369 O LEU A 88 2.108 -1.657 -6.356 1.00 14.14 O ATOM 1370 CB LEU A 88 -0.788 -1.750 -5.232 1.00 11.24 C ATOM 1371 CG LEU A 88 -2.075 -2.424 -4.699 1.00 3.22 C ATOM 1372 CD1 LEU A 88 -3.201 -2.366 -5.702 1.00 34.22 C ATOM 1373 CD2 LEU A 88 -1.820 -3.842 -4.237 1.00 55.11 C ATOM 0 H LEU A 88 0.918 -3.852 -5.769 1.00 23.40 H new ATOM 0 HA LEU A 88 -0.927 -2.181 -7.346 1.00 42.10 H new ATOM 0 HB2 LEU A 88 -0.023 -1.839 -4.460 1.00 11.24 H new ATOM 0 HB3 LEU A 88 -0.996 -0.687 -5.353 1.00 11.24 H new ATOM 0 HG LEU A 88 -2.390 -1.850 -3.827 1.00 3.22 H new ATOM 0 HD11 LEU A 88 -4.084 -2.851 -5.286 1.00 34.22 H new ATOM 0 HD12 LEU A 88 -3.432 -1.325 -5.930 1.00 34.22 H new ATOM 0 HD13 LEU A 88 -2.901 -2.880 -6.615 1.00 34.22 H new ATOM 0 HD21 LEU A 88 -2.749 -4.278 -3.871 1.00 55.11 H new ATOM 0 HD22 LEU A 88 -1.445 -4.435 -5.071 1.00 55.11 H new ATOM 0 HD23 LEU A 88 -1.081 -3.836 -3.436 1.00 55.11 H new ATOM 1385 N VAL A 89 0.825 -0.469 -7.756 1.00 43.21 N ATOM 1386 CA VAL A 89 1.891 0.410 -8.073 1.00 2.42 C ATOM 1387 C VAL A 89 1.529 1.827 -7.656 1.00 11.00 C ATOM 1388 O VAL A 89 0.414 2.309 -7.907 1.00 2.43 O ATOM 1389 CB VAL A 89 2.291 0.362 -9.594 1.00 64.53 C ATOM 1390 CG1 VAL A 89 2.705 -1.045 -9.998 1.00 33.31 C ATOM 1391 CG2 VAL A 89 1.169 0.840 -10.492 1.00 42.22 C ATOM 0 H VAL A 89 -0.051 -0.285 -8.245 1.00 43.21 H new ATOM 0 HA VAL A 89 2.766 0.076 -7.516 1.00 2.42 H new ATOM 0 HB VAL A 89 3.136 1.039 -9.720 1.00 64.53 H new ATOM 0 HG11 VAL A 89 2.977 -1.055 -11.053 1.00 33.31 H new ATOM 0 HG12 VAL A 89 3.560 -1.359 -9.399 1.00 33.31 H new ATOM 0 HG13 VAL A 89 1.874 -1.731 -9.831 1.00 33.31 H new ATOM 0 HG21 VAL A 89 1.489 0.790 -11.533 1.00 42.22 H new ATOM 0 HG22 VAL A 89 0.294 0.205 -10.351 1.00 42.22 H new ATOM 0 HG23 VAL A 89 0.915 1.870 -10.240 1.00 42.22 H new ATOM 1401 N ALA A 90 2.446 2.458 -6.991 1.00 3.24 N ATOM 1402 CA ALA A 90 2.303 3.824 -6.595 1.00 70.11 C ATOM 1403 C ALA A 90 3.578 4.523 -6.906 1.00 33.44 C ATOM 1404 O ALA A 90 4.664 3.941 -6.732 1.00 5.33 O ATOM 1405 CB ALA A 90 1.938 3.962 -5.124 1.00 2.44 C ATOM 0 H ALA A 90 3.327 2.032 -6.704 1.00 3.24 H new ATOM 0 HA ALA A 90 1.479 4.277 -7.146 1.00 70.11 H new ATOM 0 HB1 ALA A 90 1.840 5.018 -4.871 1.00 2.44 H new ATOM 0 HB2 ALA A 90 0.992 3.455 -4.935 1.00 2.44 H new ATOM 0 HB3 ALA A 90 2.720 3.513 -4.511 1.00 2.44 H new