USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 917 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 71 THR OG1 : rot 180:sc= -1.37 USER MOD Set 1.2: A 74 GLN : amide:sc= -0.0204 K(o=-1.4,f=-2.7) USER MOD Set 2.1: A 34 LYS NZ :NH3+ -114:sc= 1.18 (180deg=0) USER MOD Set 2.2: A 37 GLN : amide:sc= -0.0674 K(o=1.1,f=-4.6!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot -93:sc= 0.638 USER MOD Single : A 16 CYS SG : rot 180:sc= -0.497 USER MOD Single : A 19 LYS NZ :NH3+ 149:sc= 0.0084 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.609 K(o=-0.61,f=0) USER MOD Single : A 24 TYR OH : rot -174:sc= 0.0102 USER MOD Single : A 27 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-4.9!) USER MOD Single : A 29 HIS : no HD1:sc= -3.16 K(o=-3.2,f=-3.9!) USER MOD Single : A 32 LYS NZ :NH3+ -159:sc= -0.0471 (180deg=-0.346) USER MOD Single : A 38 TYR OH : rot 30:sc= 0 USER MOD Single : A 46 SER OG : rot -77:sc= 1.23 USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= -0.0571 (180deg=-0.322) USER MOD Single : A 63 ASN : amide:sc= -0.0704 K(o=-0.07,f=-5.6!) USER MOD Single : A 66 ASN : amide:sc= 0.345 K(o=0.34,f=-3!) USER MOD Single : A 69 LYS NZ :NH3+ -174:sc=-0.000552 (180deg=-0.0597) USER MOD Single : A 72 HIS : no HD1:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 77 SER OG : rot 74:sc= 0.263 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 81:sc= 1.25 USER MOD Single : A 98 GLN : amide:sc= -0.0849 X(o=-0.085,f=-0.032) USER MOD Single : A 100 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.1) USER MOD Single : A 101 LYS NZ :NH3+ 171:sc=-0.000846 (180deg=-0.131) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc= -1.83 K(o=-1.8,f=-0.92) USER MOD Single : A 119 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 4 -11.945 -25.282 -2.070 1.00 0.00 N ATOM 2 CA GLY A 4 -12.303 -24.953 -0.670 1.00 0.00 C ATOM 3 C GLY A 4 -12.134 -23.478 -0.384 1.00 0.00 C ATOM 4 O GLY A 4 -12.430 -22.638 -1.236 1.00 0.00 O ATOM 0 HA2 GLY A 4 -13.336 -25.245 -0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.678 -25.530 0.011 1.00 0.00 H new ATOM 10 N ILE A 5 -11.666 -23.151 0.812 1.00 0.00 N ATOM 11 CA ILE A 5 -11.382 -21.765 1.149 1.00 0.00 C ATOM 12 C ILE A 5 -9.976 -21.406 0.698 1.00 0.00 C ATOM 13 O ILE A 5 -9.022 -22.148 0.942 1.00 0.00 O ATOM 14 CB ILE A 5 -11.508 -21.466 2.664 1.00 0.00 C ATOM 15 CG1 ILE A 5 -12.889 -21.848 3.206 1.00 0.00 C ATOM 16 CG2 ILE A 5 -11.233 -19.995 2.938 1.00 0.00 C ATOM 17 CD1 ILE A 5 -13.024 -23.307 3.583 1.00 0.00 C ATOM 0 H ILE A 5 -11.477 -23.820 1.558 1.00 0.00 H new ATOM 0 HA ILE A 5 -12.129 -21.162 0.632 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.766 -22.075 3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.105 -21.236 4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -13.641 -21.607 2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.325 -19.800 4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.224 -19.746 2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.953 -19.383 2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -14.030 -23.494 3.957 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -12.842 -23.928 2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.297 -23.551 4.358 1.00 0.00 H new ATOM 29 N ASP A 6 -9.855 -20.276 0.035 1.00 0.00 N ATOM 30 CA ASP A 6 -8.569 -19.810 -0.447 1.00 0.00 C ATOM 31 C ASP A 6 -7.941 -18.876 0.572 1.00 0.00 C ATOM 32 O ASP A 6 -8.556 -17.894 0.993 1.00 0.00 O ATOM 33 CB ASP A 6 -8.719 -19.095 -1.786 1.00 0.00 C ATOM 34 CG ASP A 6 -8.951 -20.048 -2.941 1.00 0.00 C ATOM 35 OD1 ASP A 6 -9.869 -20.888 -2.858 1.00 0.00 O ATOM 36 OD2 ASP A 6 -8.225 -19.952 -3.956 1.00 0.00 O ATOM 0 H ASP A 6 -10.636 -19.658 -0.185 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.921 -20.675 -0.590 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.552 -18.395 -1.727 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.822 -18.508 -1.981 1.00 0.00 H new ATOM 41 N PRO A 7 -6.709 -19.182 0.984 1.00 0.00 N ATOM 42 CA PRO A 7 -5.992 -18.400 1.987 1.00 0.00 C ATOM 43 C PRO A 7 -5.562 -17.052 1.446 1.00 0.00 C ATOM 44 O PRO A 7 -5.384 -16.095 2.196 1.00 0.00 O ATOM 45 CB PRO A 7 -4.767 -19.253 2.311 1.00 0.00 C ATOM 46 CG PRO A 7 -4.574 -20.144 1.132 1.00 0.00 C ATOM 47 CD PRO A 7 -5.925 -20.326 0.496 1.00 0.00 C ATOM 0 HA PRO A 7 -6.614 -18.187 2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.889 -18.630 2.479 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -4.924 -19.834 3.220 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.871 -19.703 0.426 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.159 -21.104 1.438 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.856 -20.327 -0.592 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.378 -21.273 0.788 1.00 0.00 H new ATOM 55 N PHE A 8 -5.402 -16.992 0.138 1.00 0.00 N ATOM 56 CA PHE A 8 -4.929 -15.801 -0.526 1.00 0.00 C ATOM 57 C PHE A 8 -5.532 -15.697 -1.915 1.00 0.00 C ATOM 58 O PHE A 8 -5.896 -16.710 -2.519 1.00 0.00 O ATOM 59 CB PHE A 8 -3.406 -15.825 -0.600 1.00 0.00 C ATOM 60 CG PHE A 8 -2.740 -15.356 0.661 1.00 0.00 C ATOM 61 CD1 PHE A 8 -2.817 -14.028 1.041 1.00 0.00 C ATOM 62 CD2 PHE A 8 -2.052 -16.246 1.471 1.00 0.00 C ATOM 63 CE1 PHE A 8 -2.215 -13.591 2.203 1.00 0.00 C ATOM 64 CE2 PHE A 8 -1.448 -15.814 2.636 1.00 0.00 C ATOM 65 CZ PHE A 8 -1.531 -14.485 3.001 1.00 0.00 C ATOM 0 H PHE A 8 -5.598 -17.770 -0.491 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.239 -14.926 0.045 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.076 -16.840 -0.820 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.080 -15.197 -1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.354 -13.326 0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.988 -17.286 1.189 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.279 -12.551 2.487 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.912 -16.514 3.260 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.060 -14.145 3.912 1.00 0.00 H new ATOM 75 N THR A 9 -5.634 -14.474 -2.416 1.00 0.00 N ATOM 76 CA THR A 9 -6.279 -14.221 -3.692 1.00 0.00 C ATOM 77 C THR A 9 -6.080 -12.761 -4.088 1.00 0.00 C ATOM 78 O THR A 9 -6.393 -11.864 -3.310 1.00 0.00 O ATOM 79 CB THR A 9 -7.786 -14.574 -3.620 1.00 0.00 C ATOM 80 OG1 THR A 9 -8.426 -14.333 -4.879 1.00 0.00 O ATOM 81 CG2 THR A 9 -8.495 -13.793 -2.521 1.00 0.00 C ATOM 0 H THR A 9 -5.275 -13.639 -1.953 1.00 0.00 H new ATOM 0 HA THR A 9 -5.824 -14.855 -4.453 1.00 0.00 H new ATOM 0 HB THR A 9 -7.857 -15.635 -3.382 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.376 -14.564 -4.812 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.550 -14.068 -2.502 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.041 -14.027 -1.558 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.402 -12.725 -2.716 1.00 0.00 H new ATOM 89 N MET A 10 -5.504 -12.535 -5.271 1.00 0.00 N ATOM 90 CA MET A 10 -5.207 -11.181 -5.745 1.00 0.00 C ATOM 91 C MET A 10 -4.270 -10.536 -4.742 1.00 0.00 C ATOM 92 O MET A 10 -4.590 -9.536 -4.099 1.00 0.00 O ATOM 93 CB MET A 10 -6.484 -10.348 -5.913 1.00 0.00 C ATOM 94 CG MET A 10 -6.411 -9.319 -7.036 1.00 0.00 C ATOM 95 SD MET A 10 -5.020 -8.178 -6.887 1.00 0.00 S ATOM 96 CE MET A 10 -5.308 -7.127 -8.308 1.00 0.00 C ATOM 0 H MET A 10 -5.233 -13.274 -5.920 1.00 0.00 H new ATOM 0 HA MET A 10 -4.738 -11.231 -6.728 1.00 0.00 H new ATOM 0 HB2 MET A 10 -7.321 -11.020 -6.104 1.00 0.00 H new ATOM 0 HB3 MET A 10 -6.695 -9.833 -4.976 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.341 -9.841 -7.991 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.339 -8.747 -7.053 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.531 -6.364 -8.360 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.287 -7.729 -9.216 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.282 -6.647 -8.214 1.00 0.00 H new ATOM 106 N LEU A 11 -3.115 -11.158 -4.597 1.00 0.00 N ATOM 107 CA LEU A 11 -2.195 -10.830 -3.532 1.00 0.00 C ATOM 108 C LEU A 11 -1.630 -9.427 -3.725 1.00 0.00 C ATOM 109 O LEU A 11 -1.330 -9.018 -4.851 1.00 0.00 O ATOM 110 CB LEU A 11 -1.039 -11.850 -3.432 1.00 0.00 C ATOM 111 CG LEU A 11 -1.190 -13.217 -4.137 1.00 0.00 C ATOM 112 CD1 LEU A 11 -2.458 -13.935 -3.703 1.00 0.00 C ATOM 113 CD2 LEU A 11 -1.128 -13.075 -5.652 1.00 0.00 C ATOM 0 H LEU A 11 -2.792 -11.903 -5.214 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.758 -10.868 -2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.142 -11.372 -3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.859 -12.042 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.344 -13.832 -3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.529 -14.892 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.430 -14.105 -2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.325 -13.323 -3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.238 -14.056 -6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.933 -12.423 -5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.168 -12.644 -5.938 1.00 0.00 H new ATOM 125 N PRO A 12 -1.483 -8.678 -2.621 1.00 0.00 N ATOM 126 CA PRO A 12 -0.922 -7.326 -2.643 1.00 0.00 C ATOM 127 C PRO A 12 0.508 -7.325 -3.149 1.00 0.00 C ATOM 128 O PRO A 12 1.192 -8.352 -3.117 1.00 0.00 O ATOM 129 CB PRO A 12 -0.964 -6.877 -1.181 1.00 0.00 C ATOM 130 CG PRO A 12 -1.093 -8.132 -0.394 1.00 0.00 C ATOM 131 CD PRO A 12 -1.839 -9.099 -1.264 1.00 0.00 C ATOM 0 HA PRO A 12 -1.479 -6.667 -3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.059 -6.333 -0.910 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.805 -6.209 -0.998 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.112 -8.526 -0.127 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.630 -7.953 0.538 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.538 -10.129 -1.071 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.914 -9.044 -1.095 1.00 0.00 H new ATOM 139 N ARG A 13 0.958 -6.177 -3.605 1.00 0.00 N ATOM 140 CA ARG A 13 2.277 -6.062 -4.189 1.00 0.00 C ATOM 141 C ARG A 13 2.901 -4.733 -3.811 1.00 0.00 C ATOM 142 O ARG A 13 2.197 -3.778 -3.477 1.00 0.00 O ATOM 143 CB ARG A 13 2.183 -6.212 -5.710 1.00 0.00 C ATOM 144 CG ARG A 13 1.416 -5.096 -6.405 1.00 0.00 C ATOM 145 CD ARG A 13 0.879 -5.566 -7.745 1.00 0.00 C ATOM 146 NE ARG A 13 0.491 -4.462 -8.626 1.00 0.00 N ATOM 147 CZ ARG A 13 -0.763 -4.035 -8.793 1.00 0.00 C ATOM 148 NH1 ARG A 13 -1.742 -4.493 -8.022 1.00 0.00 N ATOM 149 NH2 ARG A 13 -1.027 -3.122 -9.719 1.00 0.00 N ATOM 0 H ARG A 13 0.428 -5.306 -3.583 1.00 0.00 H new ATOM 0 HA ARG A 13 2.915 -6.857 -3.802 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.191 -6.255 -6.122 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.704 -7.164 -5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.591 -4.767 -5.773 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.069 -4.236 -6.551 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.638 -6.171 -8.242 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.016 -6.211 -7.578 1.00 0.00 H new ATOM 0 HE ARG A 13 1.228 -3.987 -9.147 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.540 -5.178 -7.294 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.696 -4.160 -8.158 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.274 -2.751 -10.298 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.983 -2.792 -9.852 1.00 0.00 H new ATOM 163 N LEU A 14 4.221 -4.679 -3.850 1.00 0.00 N ATOM 164 CA LEU A 14 4.932 -3.459 -3.538 1.00 0.00 C ATOM 165 C LEU A 14 4.991 -2.594 -4.781 1.00 0.00 C ATOM 166 O LEU A 14 5.625 -2.955 -5.772 1.00 0.00 O ATOM 167 CB LEU A 14 6.343 -3.768 -3.038 1.00 0.00 C ATOM 168 CG LEU A 14 7.164 -2.553 -2.607 1.00 0.00 C ATOM 169 CD1 LEU A 14 6.527 -1.865 -1.409 1.00 0.00 C ATOM 170 CD2 LEU A 14 8.587 -2.971 -2.284 1.00 0.00 C ATOM 0 H LEU A 14 4.819 -5.468 -4.095 1.00 0.00 H new ATOM 0 HA LEU A 14 4.406 -2.928 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.270 -4.454 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.884 -4.290 -3.827 1.00 0.00 H new ATOM 0 HG LEU A 14 7.185 -1.842 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.130 -1.004 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.522 -1.534 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.472 -2.564 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.162 -2.097 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.577 -3.700 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.045 -3.416 -3.167 1.00 0.00 H new ATOM 182 N CYS A 15 4.328 -1.461 -4.719 1.00 0.00 N ATOM 183 CA CYS A 15 4.198 -0.598 -5.868 1.00 0.00 C ATOM 184 C CYS A 15 5.297 0.453 -5.866 1.00 0.00 C ATOM 185 O CYS A 15 5.302 1.372 -5.047 1.00 0.00 O ATOM 186 CB CYS A 15 2.819 0.063 -5.857 1.00 0.00 C ATOM 187 SG CYS A 15 1.446 -1.106 -5.985 1.00 0.00 S ATOM 0 H CYS A 15 3.868 -1.115 -3.877 1.00 0.00 H new ATOM 0 HA CYS A 15 4.298 -1.191 -6.777 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.710 0.638 -4.937 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.759 0.771 -6.684 1.00 0.00 H new ATOM 0 HG CYS A 15 1.104 -1.239 -7.232 1.00 0.00 H new ATOM 193 N CYS A 16 6.245 0.290 -6.773 1.00 0.00 N ATOM 194 CA CYS A 16 7.329 1.239 -6.915 1.00 0.00 C ATOM 195 C CYS A 16 6.995 2.250 -7.999 1.00 0.00 C ATOM 196 O CYS A 16 6.924 1.910 -9.183 1.00 0.00 O ATOM 197 CB CYS A 16 8.630 0.507 -7.254 1.00 0.00 C ATOM 198 SG CYS A 16 9.111 -0.736 -6.033 1.00 0.00 S ATOM 0 H CYS A 16 6.283 -0.495 -7.423 1.00 0.00 H new ATOM 0 HA CYS A 16 7.463 1.767 -5.971 1.00 0.00 H new ATOM 0 HB2 CYS A 16 8.521 0.025 -8.225 1.00 0.00 H new ATOM 0 HB3 CYS A 16 9.433 1.238 -7.349 1.00 0.00 H new ATOM 0 HG CYS A 16 10.220 -1.303 -6.405 1.00 0.00 H new ATOM 204 N LEU A 17 6.780 3.487 -7.596 1.00 0.00 N ATOM 205 CA LEU A 17 6.482 4.544 -8.542 1.00 0.00 C ATOM 206 C LEU A 17 7.591 5.573 -8.519 1.00 0.00 C ATOM 207 O LEU A 17 8.214 5.808 -7.483 1.00 0.00 O ATOM 208 CB LEU A 17 5.117 5.201 -8.289 1.00 0.00 C ATOM 209 CG LEU A 17 4.798 5.623 -6.856 1.00 0.00 C ATOM 210 CD1 LEU A 17 3.680 6.641 -6.866 1.00 0.00 C ATOM 211 CD2 LEU A 17 4.387 4.426 -6.012 1.00 0.00 C ATOM 0 H LEU A 17 6.806 3.785 -6.621 1.00 0.00 H new ATOM 0 HA LEU A 17 6.423 4.093 -9.533 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.044 6.083 -8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.343 4.507 -8.617 1.00 0.00 H new ATOM 0 HG LEU A 17 5.696 6.060 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.453 6.942 -5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.988 7.514 -7.441 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.792 6.202 -7.321 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.166 4.755 -4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.500 3.963 -6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.200 3.701 -5.989 1.00 0.00 H new ATOM 223 N GLU A 18 7.819 6.188 -9.663 1.00 0.00 N ATOM 224 CA GLU A 18 9.002 7.003 -9.874 1.00 0.00 C ATOM 225 C GLU A 18 8.602 8.413 -10.273 1.00 0.00 C ATOM 226 O GLU A 18 7.800 8.606 -11.185 1.00 0.00 O ATOM 227 CB GLU A 18 9.877 6.338 -10.939 1.00 0.00 C ATOM 228 CG GLU A 18 10.293 4.924 -10.542 1.00 0.00 C ATOM 229 CD GLU A 18 10.951 4.142 -11.658 1.00 0.00 C ATOM 230 OE1 GLU A 18 12.161 4.332 -11.887 1.00 0.00 O ATOM 231 OE2 GLU A 18 10.265 3.313 -12.293 1.00 0.00 O ATOM 0 H GLU A 18 7.195 6.138 -10.468 1.00 0.00 H new ATOM 0 HA GLU A 18 9.577 7.080 -8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.334 6.304 -11.883 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.768 6.944 -11.105 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.980 4.982 -9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.413 4.379 -10.200 1.00 0.00 H new ATOM 238 N LYS A 19 9.171 9.386 -9.575 1.00 0.00 N ATOM 239 CA LYS A 19 8.753 10.777 -9.674 1.00 0.00 C ATOM 240 C LYS A 19 8.780 11.297 -11.107 1.00 0.00 C ATOM 241 O LYS A 19 9.795 11.202 -11.804 1.00 0.00 O ATOM 242 CB LYS A 19 9.631 11.661 -8.787 1.00 0.00 C ATOM 243 CG LYS A 19 9.176 13.110 -8.739 1.00 0.00 C ATOM 244 CD LYS A 19 10.063 13.950 -7.838 1.00 0.00 C ATOM 245 CE LYS A 19 9.899 13.554 -6.384 1.00 0.00 C ATOM 246 NZ LYS A 19 10.767 14.357 -5.481 1.00 0.00 N ATOM 0 H LYS A 19 9.939 9.232 -8.921 1.00 0.00 H new ATOM 0 HA LYS A 19 7.719 10.820 -9.331 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.636 11.256 -7.775 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.658 11.622 -9.151 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.183 13.527 -9.746 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.147 13.156 -8.382 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.105 13.830 -8.135 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.816 15.004 -7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.857 13.680 -6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.137 12.497 -6.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.302 14.463 -4.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.679 13.874 -5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.927 15.296 -5.898 1.00 0.00 H new ATOM 260 N GLY A 20 7.651 11.841 -11.531 1.00 0.00 N ATOM 261 CA GLY A 20 7.549 12.451 -12.838 1.00 0.00 C ATOM 262 C GLY A 20 7.625 13.960 -12.750 1.00 0.00 C ATOM 263 O GLY A 20 8.360 14.496 -11.920 1.00 0.00 O ATOM 0 H GLY A 20 6.791 11.870 -10.983 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.351 12.081 -13.477 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.608 12.159 -13.305 1.00 0.00 H new ATOM 267 N PRO A 21 6.855 14.680 -13.577 1.00 0.00 N ATOM 268 CA PRO A 21 6.881 16.143 -13.603 1.00 0.00 C ATOM 269 C PRO A 21 6.115 16.767 -12.438 1.00 0.00 C ATOM 270 O PRO A 21 6.328 17.930 -12.094 1.00 0.00 O ATOM 271 CB PRO A 21 6.202 16.476 -14.931 1.00 0.00 C ATOM 272 CG PRO A 21 5.261 15.346 -15.168 1.00 0.00 C ATOM 273 CD PRO A 21 5.904 14.125 -14.561 1.00 0.00 C ATOM 0 HA PRO A 21 7.894 16.535 -13.510 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.673 17.427 -14.878 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.930 16.561 -15.738 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.292 15.544 -14.709 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.085 15.203 -16.234 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.166 13.480 -14.084 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.413 13.524 -15.315 1.00 0.00 H new ATOM 281 N ASN A 22 5.227 15.991 -11.823 1.00 0.00 N ATOM 282 CA ASN A 22 4.366 16.518 -10.762 1.00 0.00 C ATOM 283 C ASN A 22 4.510 15.709 -9.482 1.00 0.00 C ATOM 284 O ASN A 22 3.584 15.657 -8.667 1.00 0.00 O ATOM 285 CB ASN A 22 2.892 16.503 -11.190 1.00 0.00 C ATOM 286 CG ASN A 22 2.604 17.310 -12.442 1.00 0.00 C ATOM 287 OD1 ASN A 22 1.708 16.966 -13.213 1.00 0.00 O ATOM 288 ND2 ASN A 22 3.335 18.393 -12.646 1.00 0.00 N ATOM 0 H ASN A 22 5.083 15.004 -12.036 1.00 0.00 H new ATOM 0 HA ASN A 22 4.682 17.545 -10.578 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.583 15.471 -11.357 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.283 16.890 -10.373 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.165 18.976 -13.465 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.069 18.645 -11.984 1.00 0.00 H new ATOM 295 N GLY A 23 5.663 15.094 -9.289 1.00 0.00 N ATOM 296 CA GLY A 23 5.840 14.227 -8.152 1.00 0.00 C ATOM 297 C GLY A 23 5.447 12.802 -8.473 1.00 0.00 C ATOM 298 O GLY A 23 6.068 12.164 -9.319 1.00 0.00 O ATOM 0 H GLY A 23 6.476 15.180 -9.898 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.881 14.255 -7.831 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.240 14.592 -7.318 1.00 0.00 H new ATOM 302 N TYR A 24 4.401 12.302 -7.831 1.00 0.00 N ATOM 303 CA TYR A 24 4.000 10.916 -8.030 1.00 0.00 C ATOM 304 C TYR A 24 2.545 10.810 -8.484 1.00 0.00 C ATOM 305 O TYR A 24 2.150 9.818 -9.097 1.00 0.00 O ATOM 306 CB TYR A 24 4.235 10.105 -6.757 1.00 0.00 C ATOM 307 CG TYR A 24 5.688 10.061 -6.341 1.00 0.00 C ATOM 308 CD1 TYR A 24 6.557 9.140 -6.906 1.00 0.00 C ATOM 309 CD2 TYR A 24 6.192 10.949 -5.397 1.00 0.00 C ATOM 310 CE1 TYR A 24 7.887 9.098 -6.543 1.00 0.00 C ATOM 311 CE2 TYR A 24 7.524 10.916 -5.031 1.00 0.00 C ATOM 312 CZ TYR A 24 8.366 9.988 -5.606 1.00 0.00 C ATOM 313 OH TYR A 24 9.692 9.959 -5.251 1.00 0.00 O ATOM 0 H TYR A 24 3.821 12.827 -7.176 1.00 0.00 H new ATOM 0 HA TYR A 24 4.619 10.501 -8.826 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.644 10.532 -5.947 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.876 9.087 -6.910 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.186 8.443 -7.643 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.533 11.675 -4.944 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.549 8.372 -6.991 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.903 11.613 -4.299 1.00 0.00 H new ATOM 0 HH TYR A 24 9.847 10.584 -4.513 1.00 0.00 H new ATOM 323 N GLY A 25 1.756 11.837 -8.186 1.00 0.00 N ATOM 324 CA GLY A 25 0.411 11.917 -8.719 1.00 0.00 C ATOM 325 C GLY A 25 -0.612 11.116 -7.934 1.00 0.00 C ATOM 326 O GLY A 25 -1.565 10.591 -8.509 1.00 0.00 O ATOM 0 H GLY A 25 2.025 12.615 -7.584 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.101 12.962 -8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.418 11.566 -9.751 1.00 0.00 H new ATOM 330 N PHE A 26 -0.442 11.028 -6.626 1.00 0.00 N ATOM 331 CA PHE A 26 -1.418 10.338 -5.798 1.00 0.00 C ATOM 332 C PHE A 26 -1.767 11.187 -4.584 1.00 0.00 C ATOM 333 O PHE A 26 -0.915 11.885 -4.038 1.00 0.00 O ATOM 334 CB PHE A 26 -0.906 8.956 -5.362 1.00 0.00 C ATOM 335 CG PHE A 26 0.151 8.989 -4.291 1.00 0.00 C ATOM 336 CD1 PHE A 26 1.480 9.217 -4.609 1.00 0.00 C ATOM 337 CD2 PHE A 26 -0.191 8.791 -2.961 1.00 0.00 C ATOM 338 CE1 PHE A 26 2.447 9.246 -3.623 1.00 0.00 C ATOM 339 CE2 PHE A 26 0.772 8.818 -1.971 1.00 0.00 C ATOM 340 CZ PHE A 26 2.093 9.047 -2.303 1.00 0.00 C ATOM 0 H PHE A 26 0.352 11.420 -6.119 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.318 10.183 -6.393 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.750 8.367 -5.003 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.505 8.440 -6.234 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.763 9.374 -5.639 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.223 8.614 -2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.480 9.424 -3.884 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.493 8.660 -0.940 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.848 9.070 -1.531 1.00 0.00 H new ATOM 350 N HIS A 27 -3.029 11.153 -4.194 1.00 0.00 N ATOM 351 CA HIS A 27 -3.485 11.883 -3.021 1.00 0.00 C ATOM 352 C HIS A 27 -3.862 10.892 -1.929 1.00 0.00 C ATOM 353 O HIS A 27 -4.578 9.924 -2.184 1.00 0.00 O ATOM 354 CB HIS A 27 -4.682 12.773 -3.377 1.00 0.00 C ATOM 355 CG HIS A 27 -4.433 13.677 -4.549 1.00 0.00 C ATOM 356 ND1 HIS A 27 -4.224 15.035 -4.437 1.00 0.00 N ATOM 357 CD2 HIS A 27 -4.367 13.403 -5.876 1.00 0.00 C ATOM 358 CE1 HIS A 27 -4.041 15.550 -5.638 1.00 0.00 C ATOM 359 NE2 HIS A 27 -4.122 14.580 -6.528 1.00 0.00 N ATOM 0 H HIS A 27 -3.759 10.626 -4.673 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.682 12.526 -2.661 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.543 12.140 -3.594 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.943 13.380 -2.510 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.486 12.432 -6.334 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.856 16.591 -5.856 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.019 14.690 -7.537 1.00 0.00 H new ATOM 368 N LEU A 28 -3.374 11.127 -0.723 1.00 0.00 N ATOM 369 CA LEU A 28 -3.576 10.201 0.384 1.00 0.00 C ATOM 370 C LEU A 28 -4.675 10.716 1.312 1.00 0.00 C ATOM 371 O LEU A 28 -4.804 11.924 1.510 1.00 0.00 O ATOM 372 CB LEU A 28 -2.265 10.036 1.158 1.00 0.00 C ATOM 373 CG LEU A 28 -2.228 8.882 2.157 1.00 0.00 C ATOM 374 CD1 LEU A 28 -2.269 7.546 1.430 1.00 0.00 C ATOM 375 CD2 LEU A 28 -0.988 8.982 3.028 1.00 0.00 C ATOM 0 H LEU A 28 -2.831 11.956 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.884 9.233 -0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.456 9.898 0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.061 10.963 1.694 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.107 8.947 2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.242 6.735 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.186 7.478 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.408 7.467 0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.973 8.154 3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.098 8.939 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.002 9.926 3.574 1.00 0.00 H new ATOM 387 N HIS A 29 -5.472 9.810 1.876 1.00 0.00 N ATOM 388 CA HIS A 29 -6.523 10.214 2.808 1.00 0.00 C ATOM 389 C HIS A 29 -6.654 9.223 3.955 1.00 0.00 C ATOM 390 O HIS A 29 -6.318 8.046 3.816 1.00 0.00 O ATOM 391 CB HIS A 29 -7.882 10.381 2.110 1.00 0.00 C ATOM 392 CG HIS A 29 -8.672 9.114 1.949 1.00 0.00 C ATOM 393 ND1 HIS A 29 -9.803 8.836 2.683 1.00 0.00 N ATOM 394 CD2 HIS A 29 -8.505 8.067 1.112 1.00 0.00 C ATOM 395 CE1 HIS A 29 -10.297 7.673 2.306 1.00 0.00 C ATOM 396 NE2 HIS A 29 -9.530 7.185 1.351 1.00 0.00 N ATOM 0 H HIS A 29 -5.412 8.806 1.707 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.226 11.183 3.208 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.480 11.095 2.677 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.716 10.816 1.124 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.712 7.946 0.389 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.180 7.200 2.711 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.674 6.298 0.869 1.00 0.00 H new ATOM 405 N GLY A 30 -7.125 9.716 5.085 1.00 0.00 N ATOM 406 CA GLY A 30 -7.389 8.865 6.218 1.00 0.00 C ATOM 407 C GLY A 30 -8.776 9.095 6.773 1.00 0.00 C ATOM 408 O GLY A 30 -9.145 10.232 7.067 1.00 0.00 O ATOM 0 H GLY A 30 -7.331 10.703 5.238 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.283 7.821 5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.649 9.053 6.996 1.00 0.00 H new ATOM 412 N GLU A 31 -9.547 8.023 6.886 1.00 0.00 N ATOM 413 CA GLU A 31 -10.889 8.094 7.453 1.00 0.00 C ATOM 414 C GLU A 31 -10.819 8.263 8.967 1.00 0.00 C ATOM 415 O GLU A 31 -9.736 8.401 9.539 1.00 0.00 O ATOM 416 CB GLU A 31 -11.669 6.824 7.114 1.00 0.00 C ATOM 417 CG GLU A 31 -11.925 6.635 5.630 1.00 0.00 C ATOM 418 CD GLU A 31 -12.637 5.334 5.331 1.00 0.00 C ATOM 419 OE1 GLU A 31 -13.884 5.302 5.386 1.00 0.00 O ATOM 420 OE2 GLU A 31 -11.953 4.337 5.034 1.00 0.00 O ATOM 0 H GLU A 31 -9.265 7.088 6.591 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.400 8.956 7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.120 5.961 7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.625 6.846 7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.522 7.467 5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.976 6.659 5.094 1.00 0.00 H new ATOM 427 N LYS A 32 -11.970 8.254 9.612 1.00 0.00 N ATOM 428 CA LYS A 32 -12.016 8.318 11.060 1.00 0.00 C ATOM 429 C LYS A 32 -12.464 6.981 11.629 1.00 0.00 C ATOM 430 O LYS A 32 -13.409 6.366 11.134 1.00 0.00 O ATOM 431 CB LYS A 32 -12.944 9.434 11.528 1.00 0.00 C ATOM 432 CG LYS A 32 -12.811 9.749 13.008 1.00 0.00 C ATOM 433 CD LYS A 32 -11.375 10.097 13.369 1.00 0.00 C ATOM 434 CE LYS A 32 -11.279 10.754 14.736 1.00 0.00 C ATOM 435 NZ LYS A 32 -11.932 12.091 14.752 1.00 0.00 N ATOM 0 H LYS A 32 -12.882 8.203 9.158 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.013 8.539 11.425 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.735 10.336 10.952 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -13.975 9.152 11.315 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.466 10.582 13.266 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.139 8.892 13.596 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.768 9.192 13.358 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.963 10.767 12.614 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.747 10.112 15.482 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.231 10.858 15.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.558 12.651 15.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.736 12.584 13.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.959 11.974 14.865 1.00 0.00 H new ATOM 449 N GLY A 33 -11.777 6.540 12.668 1.00 0.00 N ATOM 450 CA GLY A 33 -12.045 5.239 13.236 1.00 0.00 C ATOM 451 C GLY A 33 -11.205 4.165 12.582 1.00 0.00 C ATOM 452 O GLY A 33 -11.479 2.974 12.726 1.00 0.00 O ATOM 0 H GLY A 33 -11.034 7.064 13.131 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.842 5.259 14.307 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.102 4.999 13.116 1.00 0.00 H new ATOM 456 N LYS A 34 -10.172 4.589 11.865 1.00 0.00 N ATOM 457 CA LYS A 34 -9.293 3.666 11.173 1.00 0.00 C ATOM 458 C LYS A 34 -7.942 3.601 11.867 1.00 0.00 C ATOM 459 O LYS A 34 -7.746 4.207 12.924 1.00 0.00 O ATOM 460 CB LYS A 34 -9.128 4.093 9.701 1.00 0.00 C ATOM 461 CG LYS A 34 -8.677 5.542 9.486 1.00 0.00 C ATOM 462 CD LYS A 34 -7.250 5.784 9.962 1.00 0.00 C ATOM 463 CE LYS A 34 -6.700 7.131 9.523 1.00 0.00 C ATOM 464 NZ LYS A 34 -5.262 7.278 9.882 1.00 0.00 N ATOM 0 H LYS A 34 -9.925 5.572 11.750 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.738 2.671 11.197 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.404 3.430 9.227 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.079 3.946 9.188 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.750 5.789 8.427 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.353 6.212 10.017 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.220 5.722 11.050 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.606 4.992 9.580 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.820 7.240 8.445 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.276 7.930 9.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.157 8.029 10.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.908 6.381 10.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.716 7.527 9.033 1.00 0.00 H new ATOM 478 N LEU A 35 -7.012 2.879 11.263 1.00 0.00 N ATOM 479 CA LEU A 35 -5.642 2.860 11.741 1.00 0.00 C ATOM 480 C LEU A 35 -4.679 3.233 10.623 1.00 0.00 C ATOM 481 O LEU A 35 -3.676 3.901 10.854 1.00 0.00 O ATOM 482 CB LEU A 35 -5.268 1.497 12.353 1.00 0.00 C ATOM 483 CG LEU A 35 -5.475 0.263 11.461 1.00 0.00 C ATOM 484 CD1 LEU A 35 -4.581 -0.876 11.924 1.00 0.00 C ATOM 485 CD2 LEU A 35 -6.931 -0.185 11.484 1.00 0.00 C ATOM 0 H LEU A 35 -7.182 2.299 10.441 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.561 3.605 12.533 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.219 1.532 12.648 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.851 1.361 13.264 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.211 0.536 10.439 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.737 -1.744 11.284 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.538 -0.566 11.867 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.826 -1.136 12.954 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.053 -1.060 10.845 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.218 -0.438 12.505 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.566 0.622 11.118 1.00 0.00 H new ATOM 497 N GLY A 36 -5.024 2.849 9.408 1.00 0.00 N ATOM 498 CA GLY A 36 -4.129 3.045 8.281 1.00 0.00 C ATOM 499 C GLY A 36 -4.583 4.136 7.327 1.00 0.00 C ATOM 500 O GLY A 36 -5.639 4.739 7.511 1.00 0.00 O ATOM 0 H GLY A 36 -5.911 2.402 9.176 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.135 3.292 8.655 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.039 2.108 7.732 1.00 0.00 H new ATOM 504 N GLN A 37 -3.774 4.386 6.302 1.00 0.00 N ATOM 505 CA GLN A 37 -4.070 5.406 5.306 1.00 0.00 C ATOM 506 C GLN A 37 -4.536 4.752 4.009 1.00 0.00 C ATOM 507 O GLN A 37 -4.212 3.594 3.738 1.00 0.00 O ATOM 508 CB GLN A 37 -2.830 6.269 5.051 1.00 0.00 C ATOM 509 CG GLN A 37 -2.286 6.940 6.307 1.00 0.00 C ATOM 510 CD GLN A 37 -3.243 7.966 6.892 1.00 0.00 C ATOM 511 OE1 GLN A 37 -3.312 8.152 8.105 1.00 0.00 O ATOM 512 NE2 GLN A 37 -3.974 8.654 6.031 1.00 0.00 N ATOM 0 H GLN A 37 -2.898 3.888 6.140 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.869 6.045 5.682 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.049 5.648 4.613 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.076 7.036 4.317 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.075 6.178 7.057 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.339 7.426 6.072 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.890 8.472 5.031 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.622 9.367 6.367 1.00 0.00 H new ATOM 521 N TYR A 38 -5.302 5.486 3.214 1.00 0.00 N ATOM 522 CA TYR A 38 -5.842 4.945 1.971 1.00 0.00 C ATOM 523 C TYR A 38 -5.583 5.899 0.816 1.00 0.00 C ATOM 524 O TYR A 38 -5.461 7.112 1.013 1.00 0.00 O ATOM 525 CB TYR A 38 -7.353 4.723 2.093 1.00 0.00 C ATOM 526 CG TYR A 38 -7.788 4.067 3.382 1.00 0.00 C ATOM 527 CD1 TYR A 38 -7.549 2.720 3.622 1.00 0.00 C ATOM 528 CD2 TYR A 38 -8.444 4.802 4.360 1.00 0.00 C ATOM 529 CE1 TYR A 38 -7.953 2.125 4.803 1.00 0.00 C ATOM 530 CE2 TYR A 38 -8.854 4.214 5.538 1.00 0.00 C ATOM 531 CZ TYR A 38 -8.605 2.878 5.756 1.00 0.00 C ATOM 532 OH TYR A 38 -9.020 2.292 6.928 1.00 0.00 O ATOM 0 H TYR A 38 -5.564 6.453 3.405 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.345 3.994 1.780 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.857 5.685 2.002 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.686 4.108 1.257 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.040 2.129 2.875 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.636 5.852 4.196 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.759 1.077 4.978 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.368 4.799 6.286 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.416 1.555 7.157 1.00 0.00 H new ATOM 542 N ILE A 39 -5.504 5.349 -0.387 1.00 0.00 N ATOM 543 CA ILE A 39 -5.366 6.159 -1.589 1.00 0.00 C ATOM 544 C ILE A 39 -6.680 6.880 -1.875 1.00 0.00 C ATOM 545 O ILE A 39 -7.728 6.246 -1.992 1.00 0.00 O ATOM 546 CB ILE A 39 -4.994 5.298 -2.815 1.00 0.00 C ATOM 547 CG1 ILE A 39 -3.726 4.478 -2.549 1.00 0.00 C ATOM 548 CG2 ILE A 39 -4.811 6.178 -4.042 1.00 0.00 C ATOM 549 CD1 ILE A 39 -2.463 5.309 -2.448 1.00 0.00 C ATOM 0 H ILE A 39 -5.533 4.344 -0.557 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.565 6.878 -1.414 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.812 4.602 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.855 3.919 -1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.604 3.747 -3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.549 5.557 -4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.739 6.710 -4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.013 6.898 -3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.611 4.655 -2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.306 5.848 -3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.561 6.022 -1.630 1.00 0.00 H new ATOM 561 N ARG A 40 -6.624 8.202 -1.967 1.00 0.00 N ATOM 562 CA ARG A 40 -7.816 9.003 -2.222 1.00 0.00 C ATOM 563 C ARG A 40 -7.990 9.214 -3.716 1.00 0.00 C ATOM 564 O ARG A 40 -9.082 9.055 -4.251 1.00 0.00 O ATOM 565 CB ARG A 40 -7.710 10.368 -1.529 1.00 0.00 C ATOM 566 CG ARG A 40 -9.027 10.895 -0.959 1.00 0.00 C ATOM 567 CD ARG A 40 -10.129 10.989 -2.000 1.00 0.00 C ATOM 568 NE ARG A 40 -9.850 11.991 -3.026 1.00 0.00 N ATOM 569 CZ ARG A 40 -10.465 12.024 -4.209 1.00 0.00 C ATOM 570 NH1 ARG A 40 -11.345 11.082 -4.526 1.00 0.00 N ATOM 571 NH2 ARG A 40 -10.195 12.994 -5.074 1.00 0.00 N ATOM 0 H ARG A 40 -5.765 8.744 -1.869 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.678 8.468 -1.823 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.982 10.295 -0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.322 11.094 -2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.354 10.242 -0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.860 11.881 -0.525 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.260 10.016 -2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.070 11.232 -1.506 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.147 12.703 -2.827 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.551 10.333 -3.865 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.815 11.107 -5.431 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.516 13.716 -4.835 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.667 13.017 -5.978 1.00 0.00 H new ATOM 585 N LEU A 41 -6.906 9.565 -4.386 1.00 0.00 N ATOM 586 CA LEU A 41 -6.981 9.936 -5.789 1.00 0.00 C ATOM 587 C LEU A 41 -5.682 9.602 -6.500 1.00 0.00 C ATOM 588 O LEU A 41 -4.599 9.776 -5.946 1.00 0.00 O ATOM 589 CB LEU A 41 -7.290 11.437 -5.901 1.00 0.00 C ATOM 590 CG LEU A 41 -7.716 11.961 -7.282 1.00 0.00 C ATOM 591 CD1 LEU A 41 -6.529 12.142 -8.217 1.00 0.00 C ATOM 592 CD2 LEU A 41 -8.751 11.040 -7.909 1.00 0.00 C ATOM 0 H LEU A 41 -5.969 9.601 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.779 9.369 -6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.082 11.674 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.404 11.989 -5.588 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.163 12.943 -7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.878 12.514 -9.180 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.830 12.858 -7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.027 11.185 -8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.039 11.428 -8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.327 10.043 -8.026 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.629 10.988 -7.265 1.00 0.00 H new ATOM 604 N VAL A 42 -5.810 9.123 -7.722 1.00 0.00 N ATOM 605 CA VAL A 42 -4.667 8.855 -8.577 1.00 0.00 C ATOM 606 C VAL A 42 -4.798 9.652 -9.862 1.00 0.00 C ATOM 607 O VAL A 42 -5.746 9.452 -10.626 1.00 0.00 O ATOM 608 CB VAL A 42 -4.551 7.356 -8.912 1.00 0.00 C ATOM 609 CG1 VAL A 42 -3.409 7.106 -9.883 1.00 0.00 C ATOM 610 CG2 VAL A 42 -4.362 6.549 -7.641 1.00 0.00 C ATOM 0 H VAL A 42 -6.710 8.908 -8.152 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.766 9.152 -8.040 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.476 7.036 -9.393 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.347 6.041 -10.105 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.588 7.659 -10.805 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.472 7.439 -9.436 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.281 5.491 -7.890 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.452 6.873 -7.136 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.217 6.702 -6.982 1.00 0.00 H new ATOM 620 N GLU A 43 -3.863 10.571 -10.078 1.00 0.00 N ATOM 621 CA GLU A 43 -3.869 11.412 -11.268 1.00 0.00 C ATOM 622 C GLU A 43 -3.808 10.532 -12.510 1.00 0.00 C ATOM 623 O GLU A 43 -2.934 9.675 -12.622 1.00 0.00 O ATOM 624 CB GLU A 43 -2.668 12.359 -11.248 1.00 0.00 C ATOM 625 CG GLU A 43 -2.576 13.223 -9.999 1.00 0.00 C ATOM 626 CD GLU A 43 -3.477 14.438 -10.033 1.00 0.00 C ATOM 627 OE1 GLU A 43 -3.192 15.371 -10.815 1.00 0.00 O ATOM 628 OE2 GLU A 43 -4.450 14.488 -9.251 1.00 0.00 O ATOM 0 H GLU A 43 -3.088 10.752 -9.440 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.785 12.003 -11.284 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.754 11.771 -11.338 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.717 13.008 -12.122 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.830 12.617 -9.129 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.544 13.550 -9.869 1.00 0.00 H new ATOM 635 N PRO A 44 -4.742 10.712 -13.450 1.00 0.00 N ATOM 636 CA PRO A 44 -4.795 9.892 -14.655 1.00 0.00 C ATOM 637 C PRO A 44 -3.557 10.070 -15.519 1.00 0.00 C ATOM 638 O PRO A 44 -3.288 11.154 -16.039 1.00 0.00 O ATOM 639 CB PRO A 44 -6.043 10.373 -15.392 1.00 0.00 C ATOM 640 CG PRO A 44 -6.809 11.173 -14.398 1.00 0.00 C ATOM 641 CD PRO A 44 -5.809 11.716 -13.418 1.00 0.00 C ATOM 0 HA PRO A 44 -4.831 8.829 -14.415 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.778 10.976 -16.260 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.632 9.531 -15.756 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.350 11.983 -14.887 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.550 10.554 -13.892 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.447 12.700 -13.714 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.236 11.820 -12.421 1.00 0.00 H new ATOM 649 N GLY A 45 -2.809 8.994 -15.647 1.00 0.00 N ATOM 650 CA GLY A 45 -1.574 9.021 -16.404 1.00 0.00 C ATOM 651 C GLY A 45 -0.397 9.505 -15.579 1.00 0.00 C ATOM 652 O GLY A 45 0.426 10.291 -16.057 1.00 0.00 O ATOM 0 H GLY A 45 -3.035 8.088 -15.236 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.362 8.021 -16.782 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.697 9.670 -17.271 1.00 0.00 H new ATOM 656 N SER A 46 -0.322 9.048 -14.339 1.00 0.00 N ATOM 657 CA SER A 46 0.762 9.421 -13.452 1.00 0.00 C ATOM 658 C SER A 46 1.655 8.216 -13.156 1.00 0.00 C ATOM 659 O SER A 46 1.295 7.083 -13.485 1.00 0.00 O ATOM 660 CB SER A 46 0.187 9.971 -12.147 1.00 0.00 C ATOM 661 OG SER A 46 -0.645 9.009 -11.518 1.00 0.00 O ATOM 0 H SER A 46 -1.005 8.414 -13.924 1.00 0.00 H new ATOM 0 HA SER A 46 1.365 10.187 -13.939 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.999 10.250 -11.476 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.385 10.876 -12.349 1.00 0.00 H new ATOM 0 HG SER A 46 -1.513 8.980 -11.972 1.00 0.00 H new ATOM 667 N PRO A 47 2.836 8.432 -12.554 1.00 0.00 N ATOM 668 CA PRO A 47 3.684 7.337 -12.084 1.00 0.00 C ATOM 669 C PRO A 47 2.952 6.412 -11.114 1.00 0.00 C ATOM 670 O PRO A 47 3.234 5.214 -11.054 1.00 0.00 O ATOM 671 CB PRO A 47 4.852 8.036 -11.379 1.00 0.00 C ATOM 672 CG PRO A 47 4.452 9.469 -11.241 1.00 0.00 C ATOM 673 CD PRO A 47 3.459 9.743 -12.332 1.00 0.00 C ATOM 0 HA PRO A 47 4.001 6.699 -12.909 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.043 7.589 -10.404 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.770 7.941 -11.958 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.013 9.656 -10.261 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.319 10.124 -11.332 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.726 10.492 -12.031 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.944 10.116 -13.234 1.00 0.00 H new ATOM 681 N ALA A 48 2.005 6.967 -10.364 1.00 0.00 N ATOM 682 CA ALA A 48 1.201 6.178 -9.441 1.00 0.00 C ATOM 683 C ALA A 48 0.401 5.124 -10.202 1.00 0.00 C ATOM 684 O ALA A 48 0.250 3.990 -9.745 1.00 0.00 O ATOM 685 CB ALA A 48 0.272 7.078 -8.643 1.00 0.00 C ATOM 0 H ALA A 48 1.777 7.961 -10.378 1.00 0.00 H new ATOM 0 HA ALA A 48 1.869 5.670 -8.745 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.322 6.472 -7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.862 7.797 -8.074 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.391 7.611 -9.324 1.00 0.00 H new ATOM 691 N GLU A 49 -0.098 5.510 -11.373 1.00 0.00 N ATOM 692 CA GLU A 49 -0.797 4.587 -12.265 1.00 0.00 C ATOM 693 C GLU A 49 0.136 3.468 -12.711 1.00 0.00 C ATOM 694 O GLU A 49 -0.262 2.308 -12.805 1.00 0.00 O ATOM 695 CB GLU A 49 -1.315 5.333 -13.492 1.00 0.00 C ATOM 696 CG GLU A 49 -2.485 6.260 -13.212 1.00 0.00 C ATOM 697 CD GLU A 49 -3.816 5.539 -13.243 1.00 0.00 C ATOM 698 OE1 GLU A 49 -3.909 4.424 -12.695 1.00 0.00 O ATOM 699 OE2 GLU A 49 -4.770 6.072 -13.845 1.00 0.00 O ATOM 0 H GLU A 49 -0.031 6.463 -11.729 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.637 4.155 -11.721 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.499 5.916 -13.920 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.616 4.605 -14.245 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.350 6.725 -12.236 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.493 7.063 -13.949 1.00 0.00 H new ATOM 706 N LYS A 50 1.385 3.833 -12.975 1.00 0.00 N ATOM 707 CA LYS A 50 2.395 2.881 -13.426 1.00 0.00 C ATOM 708 C LYS A 50 2.688 1.841 -12.348 1.00 0.00 C ATOM 709 O LYS A 50 3.051 0.705 -12.649 1.00 0.00 O ATOM 710 CB LYS A 50 3.686 3.617 -13.792 1.00 0.00 C ATOM 711 CG LYS A 50 3.535 4.581 -14.955 1.00 0.00 C ATOM 712 CD LYS A 50 4.817 5.360 -15.204 1.00 0.00 C ATOM 713 CE LYS A 50 4.735 6.170 -16.486 1.00 0.00 C ATOM 714 NZ LYS A 50 4.629 5.299 -17.686 1.00 0.00 N ATOM 0 H LYS A 50 1.725 4.790 -12.884 1.00 0.00 H new ATOM 0 HA LYS A 50 2.006 2.369 -14.306 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.039 4.167 -12.920 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.454 2.883 -14.038 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.264 4.028 -15.854 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.720 5.275 -14.750 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.008 6.026 -14.363 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.658 4.669 -15.262 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.871 6.834 -16.442 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.619 6.802 -16.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.879 5.846 -18.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.280 4.494 -17.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.654 4.948 -17.775 1.00 0.00 H new ATOM 728 N ALA A 51 2.528 2.239 -11.095 1.00 0.00 N ATOM 729 CA ALA A 51 2.793 1.350 -9.975 1.00 0.00 C ATOM 730 C ALA A 51 1.557 0.537 -9.607 1.00 0.00 C ATOM 731 O ALA A 51 1.650 -0.484 -8.927 1.00 0.00 O ATOM 732 CB ALA A 51 3.287 2.149 -8.785 1.00 0.00 C ATOM 0 H ALA A 51 2.216 3.173 -10.828 1.00 0.00 H new ATOM 0 HA ALA A 51 3.570 0.646 -10.273 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.483 1.476 -7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.205 2.671 -9.053 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.528 2.876 -8.494 1.00 0.00 H new ATOM 738 N GLY A 52 0.401 0.995 -10.063 1.00 0.00 N ATOM 739 CA GLY A 52 -0.826 0.271 -9.819 1.00 0.00 C ATOM 740 C GLY A 52 -1.589 0.791 -8.619 1.00 0.00 C ATOM 741 O GLY A 52 -2.214 0.020 -7.893 1.00 0.00 O ATOM 0 H GLY A 52 0.292 1.856 -10.598 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.461 0.335 -10.702 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.596 -0.784 -9.667 1.00 0.00 H new ATOM 745 N LEU A 53 -1.550 2.099 -8.411 1.00 0.00 N ATOM 746 CA LEU A 53 -2.269 2.712 -7.300 1.00 0.00 C ATOM 747 C LEU A 53 -3.651 3.159 -7.753 1.00 0.00 C ATOM 748 O LEU A 53 -3.807 3.677 -8.859 1.00 0.00 O ATOM 749 CB LEU A 53 -1.488 3.906 -6.743 1.00 0.00 C ATOM 750 CG LEU A 53 -0.114 3.575 -6.155 1.00 0.00 C ATOM 751 CD1 LEU A 53 0.556 4.836 -5.636 1.00 0.00 C ATOM 752 CD2 LEU A 53 -0.239 2.545 -5.043 1.00 0.00 C ATOM 0 H LEU A 53 -1.031 2.756 -8.994 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.377 1.970 -6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.356 4.637 -7.541 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.090 4.383 -5.970 1.00 0.00 H new ATOM 0 HG LEU A 53 0.505 3.151 -6.946 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.532 4.585 -5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.681 5.545 -6.455 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.064 5.284 -4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.749 2.324 -4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.875 2.940 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.681 1.632 -5.441 1.00 0.00 H new ATOM 764 N LEU A 54 -4.650 2.942 -6.911 1.00 0.00 N ATOM 765 CA LEU A 54 -6.009 3.360 -7.217 1.00 0.00 C ATOM 766 C LEU A 54 -6.740 3.786 -5.950 1.00 0.00 C ATOM 767 O LEU A 54 -6.410 3.341 -4.850 1.00 0.00 O ATOM 768 CB LEU A 54 -6.765 2.231 -7.907 1.00 0.00 C ATOM 769 CG LEU A 54 -8.126 2.623 -8.479 1.00 0.00 C ATOM 770 CD1 LEU A 54 -7.977 3.756 -9.486 1.00 0.00 C ATOM 771 CD2 LEU A 54 -8.778 1.420 -9.125 1.00 0.00 C ATOM 0 H LEU A 54 -4.544 2.478 -6.009 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.962 4.216 -7.891 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.147 1.840 -8.715 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.907 1.419 -7.193 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.762 2.974 -7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.957 4.021 -9.883 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.537 4.624 -8.995 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.330 3.435 -10.302 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.748 1.706 -9.531 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.143 1.050 -9.930 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.913 0.636 -8.380 1.00 0.00 H new ATOM 783 N ALA A 55 -7.719 4.669 -6.113 1.00 0.00 N ATOM 784 CA ALA A 55 -8.509 5.170 -4.999 1.00 0.00 C ATOM 785 C ALA A 55 -9.283 4.043 -4.327 1.00 0.00 C ATOM 786 O ALA A 55 -10.288 3.565 -4.856 1.00 0.00 O ATOM 787 CB ALA A 55 -9.465 6.250 -5.477 1.00 0.00 C ATOM 0 H ALA A 55 -7.985 5.055 -7.019 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.827 5.599 -4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.051 6.617 -4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.897 7.073 -5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.135 5.836 -6.231 1.00 0.00 H new ATOM 793 N GLY A 56 -8.804 3.628 -3.165 1.00 0.00 N ATOM 794 CA GLY A 56 -9.430 2.543 -2.447 1.00 0.00 C ATOM 795 C GLY A 56 -8.410 1.612 -1.830 1.00 0.00 C ATOM 796 O GLY A 56 -8.666 1.012 -0.784 1.00 0.00 O ATOM 0 H GLY A 56 -7.986 4.028 -2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.072 2.948 -1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.071 1.981 -3.126 1.00 0.00 H new ATOM 800 N ASP A 57 -7.248 1.500 -2.471 1.00 0.00 N ATOM 801 CA ASP A 57 -6.185 0.622 -1.985 1.00 0.00 C ATOM 802 C ASP A 57 -5.690 1.082 -0.619 1.00 0.00 C ATOM 803 O ASP A 57 -5.494 2.279 -0.383 1.00 0.00 O ATOM 804 CB ASP A 57 -5.010 0.566 -2.972 1.00 0.00 C ATOM 805 CG ASP A 57 -5.340 -0.195 -4.245 1.00 0.00 C ATOM 806 OD1 ASP A 57 -5.287 -1.448 -4.234 1.00 0.00 O ATOM 807 OD2 ASP A 57 -5.644 0.458 -5.263 1.00 0.00 O ATOM 0 H ASP A 57 -7.019 2.005 -3.327 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.605 -0.380 -1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.710 1.582 -3.230 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.156 0.096 -2.485 1.00 0.00 H new ATOM 812 N ARG A 58 -5.504 0.124 0.278 1.00 0.00 N ATOM 813 CA ARG A 58 -5.056 0.415 1.632 1.00 0.00 C ATOM 814 C ARG A 58 -3.534 0.444 1.692 1.00 0.00 C ATOM 815 O ARG A 58 -2.870 -0.492 1.244 1.00 0.00 O ATOM 816 CB ARG A 58 -5.600 -0.630 2.613 1.00 0.00 C ATOM 817 CG ARG A 58 -5.098 -0.442 4.034 1.00 0.00 C ATOM 818 CD ARG A 58 -5.532 -1.575 4.947 1.00 0.00 C ATOM 819 NE ARG A 58 -4.827 -1.527 6.225 1.00 0.00 N ATOM 820 CZ ARG A 58 -4.215 -2.576 6.781 1.00 0.00 C ATOM 821 NH1 ARG A 58 -4.359 -3.792 6.263 1.00 0.00 N ATOM 822 NH2 ARG A 58 -3.492 -2.411 7.882 1.00 0.00 N ATOM 0 H ARG A 58 -5.658 -0.867 0.091 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.438 1.395 1.917 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.689 -0.587 2.612 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.320 -1.624 2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.010 -0.378 4.028 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.471 0.504 4.428 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.607 -1.514 5.120 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.341 -2.531 4.460 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.800 -0.638 6.724 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.940 -3.928 5.436 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.889 -4.588 6.693 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.405 -1.485 8.301 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.023 -3.210 8.309 1.00 0.00 H new ATOM 836 N LEU A 59 -2.992 1.516 2.250 1.00 0.00 N ATOM 837 CA LEU A 59 -1.552 1.670 2.388 1.00 0.00 C ATOM 838 C LEU A 59 -1.053 0.880 3.593 1.00 0.00 C ATOM 839 O LEU A 59 -1.506 1.096 4.718 1.00 0.00 O ATOM 840 CB LEU A 59 -1.197 3.154 2.535 1.00 0.00 C ATOM 841 CG LEU A 59 0.295 3.469 2.635 1.00 0.00 C ATOM 842 CD1 LEU A 59 1.019 3.066 1.360 1.00 0.00 C ATOM 843 CD2 LEU A 59 0.500 4.948 2.926 1.00 0.00 C ATOM 0 H LEU A 59 -3.534 2.298 2.617 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.065 1.281 1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.608 3.694 1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.692 3.541 3.425 1.00 0.00 H new ATOM 0 HG LEU A 59 0.717 2.891 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.079 3.300 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.897 1.996 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.601 3.613 0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.567 5.161 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.063 5.541 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.017 5.204 3.869 1.00 0.00 H new ATOM 855 N VAL A 60 -0.141 -0.049 3.349 1.00 0.00 N ATOM 856 CA VAL A 60 0.374 -0.918 4.401 1.00 0.00 C ATOM 857 C VAL A 60 1.792 -0.520 4.816 1.00 0.00 C ATOM 858 O VAL A 60 2.120 -0.496 6.005 1.00 0.00 O ATOM 859 CB VAL A 60 0.369 -2.394 3.950 1.00 0.00 C ATOM 860 CG1 VAL A 60 0.849 -3.309 5.065 1.00 0.00 C ATOM 861 CG2 VAL A 60 -1.017 -2.805 3.479 1.00 0.00 C ATOM 0 H VAL A 60 0.260 -0.222 2.427 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.286 -0.802 5.260 1.00 0.00 H new ATOM 0 HB VAL A 60 1.061 -2.492 3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.835 -4.343 4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.865 -3.035 5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.191 -3.207 5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.000 -3.849 3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.730 -2.683 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.316 -2.178 2.639 1.00 0.00 H new ATOM 871 N GLU A 61 2.630 -0.204 3.838 1.00 0.00 N ATOM 872 CA GLU A 61 4.026 0.129 4.107 1.00 0.00 C ATOM 873 C GLU A 61 4.529 1.208 3.153 1.00 0.00 C ATOM 874 O GLU A 61 4.057 1.319 2.018 1.00 0.00 O ATOM 875 CB GLU A 61 4.890 -1.135 3.992 1.00 0.00 C ATOM 876 CG GLU A 61 6.377 -0.857 3.868 1.00 0.00 C ATOM 877 CD GLU A 61 7.227 -2.103 3.947 1.00 0.00 C ATOM 878 OE1 GLU A 61 7.399 -2.630 5.064 1.00 0.00 O ATOM 879 OE2 GLU A 61 7.758 -2.530 2.905 1.00 0.00 O ATOM 0 H GLU A 61 2.370 -0.171 2.852 1.00 0.00 H new ATOM 0 HA GLU A 61 4.099 0.523 5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.720 -1.760 4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.564 -1.708 3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.568 -0.355 2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.678 -0.170 4.658 1.00 0.00 H new ATOM 886 N VAL A 62 5.501 1.991 3.620 1.00 0.00 N ATOM 887 CA VAL A 62 6.108 3.039 2.813 1.00 0.00 C ATOM 888 C VAL A 62 7.628 2.964 2.904 1.00 0.00 C ATOM 889 O VAL A 62 8.202 3.164 3.975 1.00 0.00 O ATOM 890 CB VAL A 62 5.654 4.452 3.251 1.00 0.00 C ATOM 891 CG1 VAL A 62 6.313 5.522 2.392 1.00 0.00 C ATOM 892 CG2 VAL A 62 4.142 4.584 3.187 1.00 0.00 C ATOM 0 H VAL A 62 5.885 1.915 4.562 1.00 0.00 H new ATOM 0 HA VAL A 62 5.780 2.874 1.787 1.00 0.00 H new ATOM 0 HB VAL A 62 5.967 4.595 4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.979 6.507 2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.396 5.454 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.036 5.372 1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.851 5.587 3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.805 4.410 2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.684 3.850 3.850 1.00 0.00 H new ATOM 902 N ASN A 63 8.264 2.662 1.779 1.00 0.00 N ATOM 903 CA ASN A 63 9.725 2.617 1.677 1.00 0.00 C ATOM 904 C ASN A 63 10.348 1.647 2.675 1.00 0.00 C ATOM 905 O ASN A 63 11.423 1.907 3.217 1.00 0.00 O ATOM 906 CB ASN A 63 10.332 4.015 1.850 1.00 0.00 C ATOM 907 CG ASN A 63 10.103 4.904 0.645 1.00 0.00 C ATOM 908 OD1 ASN A 63 9.997 4.424 -0.484 1.00 0.00 O ATOM 909 ND2 ASN A 63 10.041 6.207 0.871 1.00 0.00 N ATOM 0 H ASN A 63 7.784 2.440 0.907 1.00 0.00 H new ATOM 0 HA ASN A 63 9.955 2.251 0.676 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.900 4.487 2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 63 11.403 3.922 2.030 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.901 6.853 0.094 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.133 6.565 1.822 1.00 0.00 H new ATOM 916 N GLY A 64 9.671 0.535 2.920 1.00 0.00 N ATOM 917 CA GLY A 64 10.253 -0.517 3.730 1.00 0.00 C ATOM 918 C GLY A 64 9.826 -0.487 5.187 1.00 0.00 C ATOM 919 O GLY A 64 10.278 -1.318 5.977 1.00 0.00 O ATOM 0 H GLY A 64 8.731 0.342 2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.981 -1.482 3.303 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.339 -0.441 3.679 1.00 0.00 H new ATOM 923 N GLU A 65 8.959 0.446 5.560 1.00 0.00 N ATOM 924 CA GLU A 65 8.514 0.523 6.942 1.00 0.00 C ATOM 925 C GLU A 65 6.996 0.482 7.029 1.00 0.00 C ATOM 926 O GLU A 65 6.296 1.144 6.258 1.00 0.00 O ATOM 927 CB GLU A 65 9.058 1.775 7.627 1.00 0.00 C ATOM 928 CG GLU A 65 8.886 1.748 9.135 1.00 0.00 C ATOM 929 CD GLU A 65 9.360 0.440 9.735 1.00 0.00 C ATOM 930 OE1 GLU A 65 10.585 0.252 9.869 1.00 0.00 O ATOM 931 OE2 GLU A 65 8.506 -0.409 10.058 1.00 0.00 O ATOM 0 H GLU A 65 8.557 1.147 4.937 1.00 0.00 H new ATOM 0 HA GLU A 65 8.909 -0.348 7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.116 1.882 7.389 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.551 2.652 7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.443 2.574 9.579 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.836 1.902 9.383 1.00 0.00 H new ATOM 938 N ASN A 66 6.510 -0.297 7.984 1.00 0.00 N ATOM 939 CA ASN A 66 5.087 -0.533 8.166 1.00 0.00 C ATOM 940 C ASN A 66 4.378 0.731 8.635 1.00 0.00 C ATOM 941 O ASN A 66 4.765 1.333 9.637 1.00 0.00 O ATOM 942 CB ASN A 66 4.889 -1.652 9.188 1.00 0.00 C ATOM 943 CG ASN A 66 3.438 -2.040 9.361 1.00 0.00 C ATOM 944 OD1 ASN A 66 2.723 -1.484 10.199 1.00 0.00 O ATOM 945 ND2 ASN A 66 2.997 -3.003 8.572 1.00 0.00 N ATOM 0 H ASN A 66 7.097 -0.786 8.659 1.00 0.00 H new ATOM 0 HA ASN A 66 4.655 -0.825 7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.459 -2.527 8.876 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.292 -1.335 10.150 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.029 -3.316 8.641 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.625 -3.434 7.893 1.00 0.00 H new ATOM 952 N VAL A 67 3.343 1.123 7.905 1.00 0.00 N ATOM 953 CA VAL A 67 2.586 2.329 8.226 1.00 0.00 C ATOM 954 C VAL A 67 1.107 2.005 8.434 1.00 0.00 C ATOM 955 O VAL A 67 0.232 2.830 8.164 1.00 0.00 O ATOM 956 CB VAL A 67 2.730 3.402 7.121 1.00 0.00 C ATOM 957 CG1 VAL A 67 4.180 3.848 6.994 1.00 0.00 C ATOM 958 CG2 VAL A 67 2.215 2.884 5.789 1.00 0.00 C ATOM 0 H VAL A 67 3.006 0.622 7.083 1.00 0.00 H new ATOM 0 HA VAL A 67 2.999 2.729 9.152 1.00 0.00 H new ATOM 0 HB VAL A 67 2.126 4.263 7.407 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.261 4.603 6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.515 4.270 7.942 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.803 2.991 6.738 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.328 3.658 5.030 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.785 2.002 5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.162 2.620 5.884 1.00 0.00 H new ATOM 968 N GLU A 68 0.837 0.805 8.942 1.00 0.00 N ATOM 969 CA GLU A 68 -0.532 0.327 9.110 1.00 0.00 C ATOM 970 C GLU A 68 -1.310 1.126 10.152 1.00 0.00 C ATOM 971 O GLU A 68 -2.537 1.099 10.157 1.00 0.00 O ATOM 972 CB GLU A 68 -0.551 -1.152 9.494 1.00 0.00 C ATOM 973 CG GLU A 68 -0.212 -2.090 8.350 1.00 0.00 C ATOM 974 CD GLU A 68 -0.384 -3.546 8.728 1.00 0.00 C ATOM 975 OE1 GLU A 68 -1.516 -4.064 8.625 1.00 0.00 O ATOM 976 OE2 GLU A 68 0.615 -4.177 9.140 1.00 0.00 O ATOM 0 H GLU A 68 1.552 0.144 9.245 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.021 0.465 8.146 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.157 -1.315 10.306 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.540 -1.405 9.877 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.849 -1.862 7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.817 -1.918 8.035 1.00 0.00 H new ATOM 983 N LYS A 69 -0.607 1.810 11.046 1.00 0.00 N ATOM 984 CA LYS A 69 -1.268 2.606 12.078 1.00 0.00 C ATOM 985 C LYS A 69 -0.740 4.034 12.089 1.00 0.00 C ATOM 986 O LYS A 69 -1.107 4.842 12.946 1.00 0.00 O ATOM 987 CB LYS A 69 -1.066 1.979 13.459 1.00 0.00 C ATOM 988 CG LYS A 69 -1.550 0.543 13.566 1.00 0.00 C ATOM 989 CD LYS A 69 -1.382 0.006 14.978 1.00 0.00 C ATOM 990 CE LYS A 69 0.065 0.102 15.447 1.00 0.00 C ATOM 991 NZ LYS A 69 0.984 -0.692 14.589 1.00 0.00 N ATOM 0 H LYS A 69 0.412 1.831 11.080 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.333 2.625 11.845 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.006 2.013 13.710 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.589 2.583 14.200 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.599 0.488 13.277 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.994 -0.083 12.868 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.024 0.565 15.659 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.708 -1.033 15.014 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.378 1.146 15.444 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.136 -0.249 16.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.939 -0.682 15.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.643 -1.673 14.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.014 -0.278 13.636 1.00 0.00 H new ATOM 1005 N GLU A 70 0.111 4.342 11.129 1.00 0.00 N ATOM 1006 CA GLU A 70 0.778 5.633 11.073 1.00 0.00 C ATOM 1007 C GLU A 70 -0.157 6.705 10.508 1.00 0.00 C ATOM 1008 O GLU A 70 -1.203 6.394 9.936 1.00 0.00 O ATOM 1009 CB GLU A 70 2.054 5.508 10.239 1.00 0.00 C ATOM 1010 CG GLU A 70 3.239 4.907 11.002 1.00 0.00 C ATOM 1011 CD GLU A 70 2.888 3.668 11.819 1.00 0.00 C ATOM 1012 OE1 GLU A 70 2.564 2.618 11.226 1.00 0.00 O ATOM 1013 OE2 GLU A 70 2.956 3.736 13.066 1.00 0.00 O ATOM 0 H GLU A 70 0.360 3.709 10.369 1.00 0.00 H new ATOM 0 HA GLU A 70 1.049 5.943 12.082 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.846 4.890 9.365 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.334 6.495 9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.023 4.650 10.290 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.650 5.665 11.669 1.00 0.00 H new ATOM 1020 N THR A 71 0.212 7.967 10.688 1.00 0.00 N ATOM 1021 CA THR A 71 -0.660 9.074 10.323 1.00 0.00 C ATOM 1022 C THR A 71 -0.275 9.683 8.980 1.00 0.00 C ATOM 1023 O THR A 71 0.782 9.366 8.427 1.00 0.00 O ATOM 1024 CB THR A 71 -0.624 10.180 11.391 1.00 0.00 C ATOM 1025 OG1 THR A 71 0.715 10.676 11.527 1.00 0.00 O ATOM 1026 CG2 THR A 71 -1.113 9.662 12.736 1.00 0.00 C ATOM 0 H THR A 71 1.109 8.248 11.084 1.00 0.00 H new ATOM 0 HA THR A 71 -1.666 8.662 10.249 1.00 0.00 H new ATOM 0 HB THR A 71 -1.287 10.984 11.071 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.735 11.382 12.207 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.076 10.466 13.471 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.139 9.307 12.638 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.475 8.841 13.064 1.00 0.00 H new ATOM 1034 N HIS A 72 -1.130 10.567 8.469 1.00 0.00 N ATOM 1035 CA HIS A 72 -0.870 11.255 7.209 1.00 0.00 C ATOM 1036 C HIS A 72 0.486 11.958 7.252 1.00 0.00 C ATOM 1037 O HIS A 72 1.299 11.798 6.345 1.00 0.00 O ATOM 1038 CB HIS A 72 -1.990 12.272 6.933 1.00 0.00 C ATOM 1039 CG HIS A 72 -1.895 12.961 5.602 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -2.709 12.652 4.537 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -1.094 13.966 5.178 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -2.410 13.429 3.513 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -1.433 14.239 3.876 1.00 0.00 N ATOM 0 H HIS A 72 -2.012 10.823 8.912 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.848 10.521 6.404 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.951 11.760 6.995 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.980 13.027 7.720 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.329 14.462 5.757 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.884 13.406 2.543 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.001 14.950 3.286 1.00 0.00 H new ATOM 1052 N GLN A 73 0.739 12.695 8.330 1.00 0.00 N ATOM 1053 CA GLN A 73 1.978 13.456 8.465 1.00 0.00 C ATOM 1054 C GLN A 73 3.193 12.537 8.479 1.00 0.00 C ATOM 1055 O GLN A 73 4.184 12.797 7.796 1.00 0.00 O ATOM 1056 CB GLN A 73 1.962 14.297 9.743 1.00 0.00 C ATOM 1057 CG GLN A 73 3.138 15.257 9.845 1.00 0.00 C ATOM 1058 CD GLN A 73 3.185 16.005 11.166 1.00 0.00 C ATOM 1059 OE1 GLN A 73 2.764 15.491 12.205 1.00 0.00 O ATOM 1060 NE2 GLN A 73 3.704 17.222 11.138 1.00 0.00 N ATOM 0 H GLN A 73 0.103 12.782 9.123 1.00 0.00 H new ATOM 0 HA GLN A 73 2.049 14.116 7.601 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.033 14.866 9.784 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.968 13.633 10.607 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.066 14.700 9.717 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.083 15.977 9.029 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.042 17.612 10.258 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.766 17.770 11.996 1.00 0.00 H new ATOM 1069 N GLN A 74 3.102 11.456 9.247 1.00 0.00 N ATOM 1070 CA GLN A 74 4.219 10.534 9.408 1.00 0.00 C ATOM 1071 C GLN A 74 4.556 9.854 8.085 1.00 0.00 C ATOM 1072 O GLN A 74 5.727 9.655 7.754 1.00 0.00 O ATOM 1073 CB GLN A 74 3.897 9.491 10.479 1.00 0.00 C ATOM 1074 CG GLN A 74 3.723 10.083 11.860 1.00 0.00 C ATOM 1075 CD GLN A 74 3.544 9.014 12.910 1.00 0.00 C ATOM 1076 OE1 GLN A 74 4.072 7.910 12.787 1.00 0.00 O ATOM 1077 NE2 GLN A 74 2.788 9.320 13.944 1.00 0.00 N ATOM 0 H GLN A 74 2.264 11.197 9.768 1.00 0.00 H new ATOM 0 HA GLN A 74 5.091 11.105 9.728 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.985 8.964 10.200 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.697 8.751 10.507 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.593 10.692 12.106 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.858 10.746 11.865 1.00 0.00 H new ATOM 0 HE21 GLN A 74 2.367 10.247 14.011 1.00 0.00 H new ATOM 0 HE22 GLN A 74 2.624 8.631 14.677 1.00 0.00 H new ATOM 1086 N VAL A 75 3.524 9.509 7.332 1.00 0.00 N ATOM 1087 CA VAL A 75 3.706 8.895 6.027 1.00 0.00 C ATOM 1088 C VAL A 75 4.252 9.907 5.015 1.00 0.00 C ATOM 1089 O VAL A 75 5.130 9.581 4.213 1.00 0.00 O ATOM 1090 CB VAL A 75 2.386 8.280 5.511 1.00 0.00 C ATOM 1091 CG1 VAL A 75 2.547 7.740 4.101 1.00 0.00 C ATOM 1092 CG2 VAL A 75 1.917 7.176 6.450 1.00 0.00 C ATOM 0 H VAL A 75 2.550 9.644 7.603 1.00 0.00 H new ATOM 0 HA VAL A 75 4.436 8.093 6.140 1.00 0.00 H new ATOM 0 HB VAL A 75 1.633 9.068 5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.602 7.313 3.765 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.838 8.550 3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.317 6.968 4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.986 6.751 6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.677 6.396 6.503 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.752 7.590 7.445 1.00 0.00 H new ATOM 1102 N VAL A 76 3.748 11.140 5.074 1.00 0.00 N ATOM 1103 CA VAL A 76 4.182 12.201 4.161 1.00 0.00 C ATOM 1104 C VAL A 76 5.684 12.448 4.265 1.00 0.00 C ATOM 1105 O VAL A 76 6.353 12.657 3.252 1.00 0.00 O ATOM 1106 CB VAL A 76 3.406 13.522 4.406 1.00 0.00 C ATOM 1107 CG1 VAL A 76 4.118 14.716 3.786 1.00 0.00 C ATOM 1108 CG2 VAL A 76 2.001 13.414 3.840 1.00 0.00 C ATOM 0 H VAL A 76 3.037 11.430 5.746 1.00 0.00 H new ATOM 0 HA VAL A 76 3.958 11.857 3.151 1.00 0.00 H new ATOM 0 HB VAL A 76 3.357 13.681 5.483 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.544 15.622 3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.111 14.815 4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.210 14.567 2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.465 14.346 4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.054 13.224 2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.474 12.594 4.328 1.00 0.00 H new ATOM 1118 N SER A 77 6.213 12.401 5.480 1.00 0.00 N ATOM 1119 CA SER A 77 7.643 12.576 5.696 1.00 0.00 C ATOM 1120 C SER A 77 8.437 11.536 4.907 1.00 0.00 C ATOM 1121 O SER A 77 9.465 11.842 4.305 1.00 0.00 O ATOM 1122 CB SER A 77 7.963 12.461 7.186 1.00 0.00 C ATOM 1123 OG SER A 77 7.203 13.389 7.938 1.00 0.00 O ATOM 0 H SER A 77 5.674 12.243 6.331 1.00 0.00 H new ATOM 0 HA SER A 77 7.929 13.567 5.345 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.753 11.448 7.530 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.026 12.639 7.349 1.00 0.00 H new ATOM 0 HG SER A 77 6.272 13.087 7.985 1.00 0.00 H new ATOM 1129 N ARG A 78 7.931 10.309 4.897 1.00 0.00 N ATOM 1130 CA ARG A 78 8.565 9.219 4.170 1.00 0.00 C ATOM 1131 C ARG A 78 8.456 9.440 2.663 1.00 0.00 C ATOM 1132 O ARG A 78 9.379 9.132 1.910 1.00 0.00 O ATOM 1133 CB ARG A 78 7.918 7.892 4.554 1.00 0.00 C ATOM 1134 CG ARG A 78 7.821 7.679 6.054 1.00 0.00 C ATOM 1135 CD ARG A 78 7.386 6.264 6.384 1.00 0.00 C ATOM 1136 NE ARG A 78 8.323 5.284 5.844 1.00 0.00 N ATOM 1137 CZ ARG A 78 9.463 4.944 6.437 1.00 0.00 C ATOM 1138 NH1 ARG A 78 9.791 5.487 7.602 1.00 0.00 N ATOM 1139 NH2 ARG A 78 10.276 4.068 5.859 1.00 0.00 N ATOM 0 H ARG A 78 7.077 10.044 5.388 1.00 0.00 H new ATOM 0 HA ARG A 78 9.621 9.192 4.437 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.918 7.846 4.123 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.492 7.076 4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.788 7.881 6.515 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.111 8.388 6.479 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.315 6.146 7.465 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.391 6.082 5.977 1.00 0.00 H new ATOM 0 HE ARG A 78 8.089 4.833 4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.169 6.165 8.042 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.666 5.227 8.058 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.026 3.656 4.960 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.151 3.807 6.314 1.00 0.00 H new ATOM 1153 N ILE A 79 7.322 9.978 2.231 1.00 0.00 N ATOM 1154 CA ILE A 79 7.105 10.278 0.820 1.00 0.00 C ATOM 1155 C ILE A 79 8.073 11.366 0.352 1.00 0.00 C ATOM 1156 O ILE A 79 8.561 11.338 -0.775 1.00 0.00 O ATOM 1157 CB ILE A 79 5.651 10.734 0.560 1.00 0.00 C ATOM 1158 CG1 ILE A 79 4.666 9.669 1.058 1.00 0.00 C ATOM 1159 CG2 ILE A 79 5.432 11.013 -0.924 1.00 0.00 C ATOM 1160 CD1 ILE A 79 3.218 10.103 0.991 1.00 0.00 C ATOM 0 H ILE A 79 6.537 10.216 2.838 1.00 0.00 H new ATOM 0 HA ILE A 79 7.287 9.363 0.256 1.00 0.00 H new ATOM 0 HB ILE A 79 5.474 11.658 1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.793 8.763 0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.912 9.412 2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.403 11.333 -1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.112 11.800 -1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.625 10.106 -1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.580 9.300 1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.075 10.991 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.954 10.332 -0.042 1.00 0.00 H new ATOM 1172 N ARG A 80 8.349 12.318 1.238 1.00 0.00 N ATOM 1173 CA ARG A 80 9.287 13.400 0.949 1.00 0.00 C ATOM 1174 C ARG A 80 10.730 12.902 0.969 1.00 0.00 C ATOM 1175 O ARG A 80 11.617 13.513 0.371 1.00 0.00 O ATOM 1176 CB ARG A 80 9.112 14.539 1.955 1.00 0.00 C ATOM 1177 CG ARG A 80 8.104 15.599 1.530 1.00 0.00 C ATOM 1178 CD ARG A 80 6.725 15.019 1.256 1.00 0.00 C ATOM 1179 NE ARG A 80 5.739 16.065 0.987 1.00 0.00 N ATOM 1180 CZ ARG A 80 4.785 15.981 0.058 1.00 0.00 C ATOM 1181 NH1 ARG A 80 4.659 14.882 -0.680 1.00 0.00 N ATOM 1182 NH2 ARG A 80 3.955 16.997 -0.132 1.00 0.00 N ATOM 0 H ARG A 80 7.934 12.363 2.169 1.00 0.00 H new ATOM 0 HA ARG A 80 9.069 13.772 -0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.799 14.119 2.911 1.00 0.00 H new ATOM 0 HB3 ARG A 80 10.078 15.017 2.117 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.027 16.356 2.311 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.467 16.102 0.634 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.778 14.342 0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.403 14.428 2.113 1.00 0.00 H new ATOM 0 HE ARG A 80 5.784 16.916 1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.294 14.096 -0.538 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.927 14.825 -1.388 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.046 17.842 0.432 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.225 16.934 -0.842 1.00 0.00 H new ATOM 1196 N ALA A 81 10.959 11.793 1.668 1.00 0.00 N ATOM 1197 CA ALA A 81 12.281 11.179 1.719 1.00 0.00 C ATOM 1198 C ALA A 81 12.577 10.459 0.410 1.00 0.00 C ATOM 1199 O ALA A 81 13.732 10.188 0.076 1.00 0.00 O ATOM 1200 CB ALA A 81 12.380 10.214 2.893 1.00 0.00 C ATOM 0 H ALA A 81 10.245 11.302 2.207 1.00 0.00 H new ATOM 0 HA ALA A 81 13.023 11.965 1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.374 9.767 2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.206 10.754 3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.631 9.430 2.783 1.00 0.00 H new ATOM 1206 N ALA A 82 11.518 10.152 -0.326 1.00 0.00 N ATOM 1207 CA ALA A 82 11.644 9.530 -1.630 1.00 0.00 C ATOM 1208 C ALA A 82 12.101 10.555 -2.655 1.00 0.00 C ATOM 1209 O ALA A 82 11.378 11.499 -2.985 1.00 0.00 O ATOM 1210 CB ALA A 82 10.328 8.907 -2.046 1.00 0.00 C ATOM 0 H ALA A 82 10.556 10.327 -0.036 1.00 0.00 H new ATOM 0 HA ALA A 82 12.393 8.740 -1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.438 8.444 -3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 82 10.038 8.150 -1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.559 9.678 -2.093 1.00 0.00 H new ATOM 1216 N LEU A 83 13.306 10.352 -3.156 1.00 0.00 N ATOM 1217 CA LEU A 83 13.944 11.315 -4.039 1.00 0.00 C ATOM 1218 C LEU A 83 13.511 11.116 -5.480 1.00 0.00 C ATOM 1219 O LEU A 83 12.850 11.972 -6.066 1.00 0.00 O ATOM 1220 CB LEU A 83 15.461 11.189 -3.941 1.00 0.00 C ATOM 1221 CG LEU A 83 16.069 11.644 -2.615 1.00 0.00 C ATOM 1222 CD1 LEU A 83 17.574 11.441 -2.625 1.00 0.00 C ATOM 1223 CD2 LEU A 83 15.727 13.101 -2.343 1.00 0.00 C ATOM 0 H LEU A 83 13.867 9.522 -2.965 1.00 0.00 H new ATOM 0 HA LEU A 83 13.636 12.312 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 83 15.734 10.147 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 83 15.910 11.770 -4.746 1.00 0.00 H new ATOM 0 HG LEU A 83 15.645 11.038 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 83 17.992 11.770 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 83 17.798 10.385 -2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 83 18.014 12.023 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 83 16.168 13.407 -1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 83 16.123 13.724 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 83 14.644 13.218 -2.294 1.00 0.00 H new ATOM 1235 N ASN A 84 13.892 9.983 -6.044 1.00 0.00 N ATOM 1236 CA ASN A 84 13.586 9.685 -7.432 1.00 0.00 C ATOM 1237 C ASN A 84 12.350 8.812 -7.515 1.00 0.00 C ATOM 1238 O ASN A 84 11.566 8.908 -8.455 1.00 0.00 O ATOM 1239 CB ASN A 84 14.763 8.974 -8.104 1.00 0.00 C ATOM 1240 CG ASN A 84 16.006 9.839 -8.190 1.00 0.00 C ATOM 1241 OD1 ASN A 84 16.211 10.549 -9.173 1.00 0.00 O ATOM 1242 ND2 ASN A 84 16.846 9.783 -7.165 1.00 0.00 N ATOM 0 H ASN A 84 14.415 9.253 -5.561 1.00 0.00 H new ATOM 0 HA ASN A 84 13.401 10.625 -7.952 1.00 0.00 H new ATOM 0 HB2 ASN A 84 14.997 8.066 -7.549 1.00 0.00 H new ATOM 0 HB3 ASN A 84 14.470 8.667 -9.108 1.00 0.00 H new ATOM 0 HD21 ASN A 84 17.699 10.342 -7.174 1.00 0.00 H new ATOM 0 HD22 ASN A 84 16.639 9.181 -6.368 1.00 0.00 H new ATOM 1249 N ALA A 85 12.185 7.959 -6.519 1.00 0.00 N ATOM 1250 CA ALA A 85 11.074 7.023 -6.499 1.00 0.00 C ATOM 1251 C ALA A 85 10.676 6.664 -5.075 1.00 0.00 C ATOM 1252 O ALA A 85 11.486 6.763 -4.150 1.00 0.00 O ATOM 1253 CB ALA A 85 11.431 5.770 -7.281 1.00 0.00 C ATOM 0 H ALA A 85 12.807 7.895 -5.713 1.00 0.00 H new ATOM 0 HA ALA A 85 10.218 7.506 -6.971 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.591 5.076 -7.259 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.654 6.037 -8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.304 5.297 -6.832 1.00 0.00 H new ATOM 1259 N VAL A 86 9.433 6.235 -4.915 1.00 0.00 N ATOM 1260 CA VAL A 86 8.919 5.813 -3.621 1.00 0.00 C ATOM 1261 C VAL A 86 8.310 4.419 -3.746 1.00 0.00 C ATOM 1262 O VAL A 86 7.692 4.092 -4.762 1.00 0.00 O ATOM 1263 CB VAL A 86 7.862 6.810 -3.076 1.00 0.00 C ATOM 1264 CG1 VAL A 86 6.640 6.869 -3.980 1.00 0.00 C ATOM 1265 CG2 VAL A 86 7.461 6.458 -1.651 1.00 0.00 C ATOM 0 H VAL A 86 8.755 6.170 -5.675 1.00 0.00 H new ATOM 0 HA VAL A 86 9.748 5.791 -2.914 1.00 0.00 H new ATOM 0 HB VAL A 86 8.319 7.799 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.918 7.576 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.940 7.193 -4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.185 5.881 -4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.719 7.173 -1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.037 5.454 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.339 6.494 -1.006 1.00 0.00 H new ATOM 1275 N ARG A 87 8.511 3.588 -2.735 1.00 0.00 N ATOM 1276 CA ARG A 87 7.954 2.246 -2.744 1.00 0.00 C ATOM 1277 C ARG A 87 6.780 2.167 -1.785 1.00 0.00 C ATOM 1278 O ARG A 87 6.949 2.278 -0.570 1.00 0.00 O ATOM 1279 CB ARG A 87 9.014 1.208 -2.367 1.00 0.00 C ATOM 1280 CG ARG A 87 10.229 1.220 -3.280 1.00 0.00 C ATOM 1281 CD ARG A 87 11.098 -0.009 -3.068 1.00 0.00 C ATOM 1282 NE ARG A 87 11.560 -0.126 -1.683 1.00 0.00 N ATOM 1283 CZ ARG A 87 11.823 -1.288 -1.084 1.00 0.00 C ATOM 1284 NH1 ARG A 87 11.741 -2.426 -1.763 1.00 0.00 N ATOM 1285 NH2 ARG A 87 12.194 -1.309 0.190 1.00 0.00 N ATOM 0 H ARG A 87 9.053 3.818 -1.902 1.00 0.00 H new ATOM 0 HA ARG A 87 7.609 2.025 -3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.338 1.388 -1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.563 0.216 -2.389 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.904 1.262 -4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.817 2.119 -3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.534 -0.902 -3.338 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.959 0.038 -3.734 1.00 0.00 H new ATOM 0 HE ARG A 87 11.688 0.731 -1.145 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.476 -2.414 -2.748 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.943 -3.312 -1.300 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.278 -0.436 0.711 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.395 -2.198 0.648 1.00 0.00 H new ATOM 1299 N LEU A 88 5.594 1.978 -2.334 1.00 0.00 N ATOM 1300 CA LEU A 88 4.377 1.957 -1.540 1.00 0.00 C ATOM 1301 C LEU A 88 3.722 0.589 -1.598 1.00 0.00 C ATOM 1302 O LEU A 88 3.408 0.089 -2.675 1.00 0.00 O ATOM 1303 CB LEU A 88 3.395 3.019 -2.041 1.00 0.00 C ATOM 1304 CG LEU A 88 3.906 4.459 -1.983 1.00 0.00 C ATOM 1305 CD1 LEU A 88 2.891 5.406 -2.602 1.00 0.00 C ATOM 1306 CD2 LEU A 88 4.207 4.859 -0.545 1.00 0.00 C ATOM 0 H LEU A 88 5.446 1.836 -3.333 1.00 0.00 H new ATOM 0 HA LEU A 88 4.644 2.176 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.128 2.787 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.480 2.951 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 88 4.830 4.523 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.269 6.427 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.724 5.130 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.951 5.341 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.570 5.887 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.298 4.781 0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.969 4.196 -0.135 1.00 0.00 H new ATOM 1318 N LEU A 89 3.526 -0.022 -0.448 1.00 0.00 N ATOM 1319 CA LEU A 89 2.846 -1.303 -0.392 1.00 0.00 C ATOM 1320 C LEU A 89 1.371 -1.092 -0.109 1.00 0.00 C ATOM 1321 O LEU A 89 1.004 -0.538 0.931 1.00 0.00 O ATOM 1322 CB LEU A 89 3.441 -2.208 0.685 1.00 0.00 C ATOM 1323 CG LEU A 89 2.777 -3.580 0.794 1.00 0.00 C ATOM 1324 CD1 LEU A 89 3.253 -4.499 -0.318 1.00 0.00 C ATOM 1325 CD2 LEU A 89 3.042 -4.199 2.150 1.00 0.00 C ATOM 0 H LEU A 89 3.825 0.343 0.456 1.00 0.00 H new ATOM 0 HA LEU A 89 2.976 -1.789 -1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.503 -2.347 0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.366 -1.704 1.648 1.00 0.00 H new ATOM 0 HG LEU A 89 1.701 -3.445 0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.767 -5.470 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.000 -4.062 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.333 -4.625 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.560 -5.175 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.116 -4.316 2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.641 -3.552 2.930 1.00 0.00 H new ATOM 1337 N VAL A 90 0.530 -1.517 -1.030 1.00 0.00 N ATOM 1338 CA VAL A 90 -0.904 -1.387 -0.857 1.00 0.00 C ATOM 1339 C VAL A 90 -1.599 -2.710 -1.124 1.00 0.00 C ATOM 1340 O VAL A 90 -1.035 -3.608 -1.755 1.00 0.00 O ATOM 1341 CB VAL A 90 -1.509 -0.301 -1.778 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -0.984 1.080 -1.419 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -1.228 -0.614 -3.242 1.00 0.00 C ATOM 0 H VAL A 90 0.814 -1.955 -1.906 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.067 -1.086 0.178 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.588 -0.302 -1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.427 1.822 -2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.248 1.313 -0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.100 1.097 -1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.663 0.163 -3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.151 -0.652 -3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.669 -1.577 -3.499 1.00 0.00 H new ATOM 1353 N VAL A 91 -2.817 -2.824 -0.635 1.00 0.00 N ATOM 1354 CA VAL A 91 -3.601 -4.027 -0.815 1.00 0.00 C ATOM 1355 C VAL A 91 -5.008 -3.672 -1.294 1.00 0.00 C ATOM 1356 O VAL A 91 -5.600 -2.686 -0.842 1.00 0.00 O ATOM 1357 CB VAL A 91 -3.662 -4.849 0.496 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -4.272 -4.035 1.625 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -4.420 -6.152 0.286 1.00 0.00 C ATOM 0 H VAL A 91 -3.288 -2.090 -0.105 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.118 -4.642 -1.574 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.641 -5.099 0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.302 -4.637 2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.667 -3.145 1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.285 -3.738 1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.449 -6.711 1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.438 -5.933 -0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.917 -6.747 -0.477 1.00 0.00 H new ATOM 1369 N ASP A 92 -5.502 -4.463 -2.242 1.00 0.00 N ATOM 1370 CA ASP A 92 -6.835 -4.280 -2.817 1.00 0.00 C ATOM 1371 C ASP A 92 -7.897 -4.259 -1.716 1.00 0.00 C ATOM 1372 O ASP A 92 -7.975 -5.185 -0.920 1.00 0.00 O ATOM 1373 CB ASP A 92 -7.107 -5.410 -3.808 1.00 0.00 C ATOM 1374 CG ASP A 92 -8.456 -5.295 -4.478 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -8.584 -4.493 -5.427 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -9.391 -6.012 -4.060 1.00 0.00 O ATOM 0 H ASP A 92 -4.989 -5.252 -2.636 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.879 -3.324 -3.338 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.328 -5.413 -4.570 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.046 -6.365 -3.287 1.00 0.00 H new ATOM 1381 N PRO A 93 -8.727 -3.198 -1.670 1.00 0.00 N ATOM 1382 CA PRO A 93 -9.589 -2.903 -0.510 1.00 0.00 C ATOM 1383 C PRO A 93 -10.505 -4.049 -0.073 1.00 0.00 C ATOM 1384 O PRO A 93 -10.597 -4.338 1.122 1.00 0.00 O ATOM 1385 CB PRO A 93 -10.430 -1.706 -0.973 1.00 0.00 C ATOM 1386 CG PRO A 93 -10.240 -1.621 -2.450 1.00 0.00 C ATOM 1387 CD PRO A 93 -8.884 -2.194 -2.732 1.00 0.00 C ATOM 0 HA PRO A 93 -8.973 -2.718 0.370 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.481 -1.847 -0.722 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -10.105 -0.788 -0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.015 -2.179 -2.975 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.305 -0.588 -2.792 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.833 -2.643 -3.724 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.106 -1.432 -2.687 1.00 0.00 H new ATOM 1395 N GLU A 94 -11.167 -4.717 -1.016 1.00 0.00 N ATOM 1396 CA GLU A 94 -12.039 -5.839 -0.665 1.00 0.00 C ATOM 1397 C GLU A 94 -11.213 -7.058 -0.277 1.00 0.00 C ATOM 1398 O GLU A 94 -11.625 -7.873 0.554 1.00 0.00 O ATOM 1399 CB GLU A 94 -12.997 -6.189 -1.805 1.00 0.00 C ATOM 1400 CG GLU A 94 -14.003 -5.091 -2.111 1.00 0.00 C ATOM 1401 CD GLU A 94 -15.122 -5.564 -3.017 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -14.847 -5.882 -4.190 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -16.279 -5.635 -2.551 1.00 0.00 O ATOM 0 H GLU A 94 -11.119 -4.507 -2.013 1.00 0.00 H new ATOM 0 HA GLU A 94 -12.639 -5.531 0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -12.418 -6.401 -2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.534 -7.102 -1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.428 -4.721 -1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -13.489 -4.253 -2.581 1.00 0.00 H new ATOM 1410 N THR A 95 -10.045 -7.170 -0.885 1.00 0.00 N ATOM 1411 CA THR A 95 -9.138 -8.270 -0.618 1.00 0.00 C ATOM 1412 C THR A 95 -8.505 -8.122 0.763 1.00 0.00 C ATOM 1413 O THR A 95 -8.300 -9.106 1.472 1.00 0.00 O ATOM 1414 CB THR A 95 -8.052 -8.347 -1.700 1.00 0.00 C ATOM 1415 OG1 THR A 95 -8.676 -8.416 -2.991 1.00 0.00 O ATOM 1416 CG2 THR A 95 -7.162 -9.559 -1.493 1.00 0.00 C ATOM 0 H THR A 95 -9.700 -6.503 -1.575 1.00 0.00 H new ATOM 0 HA THR A 95 -9.710 -9.197 -0.636 1.00 0.00 H new ATOM 0 HB THR A 95 -7.429 -7.455 -1.635 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.942 -7.516 -3.274 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.401 -9.589 -2.273 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.679 -9.494 -0.518 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.765 -10.466 -1.539 1.00 0.00 H new ATOM 1424 N ASP A 96 -8.226 -6.878 1.142 1.00 0.00 N ATOM 1425 CA ASP A 96 -7.661 -6.558 2.452 1.00 0.00 C ATOM 1426 C ASP A 96 -8.548 -7.103 3.558 1.00 0.00 C ATOM 1427 O ASP A 96 -8.069 -7.710 4.516 1.00 0.00 O ATOM 1428 CB ASP A 96 -7.545 -5.039 2.595 1.00 0.00 C ATOM 1429 CG ASP A 96 -7.229 -4.589 4.009 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -6.050 -4.657 4.411 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -8.163 -4.136 4.712 1.00 0.00 O ATOM 0 H ASP A 96 -8.385 -6.062 0.550 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.675 -7.015 2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.766 -4.677 1.924 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.480 -4.579 2.276 1.00 0.00 H new ATOM 1436 N GLU A 97 -9.846 -6.911 3.383 1.00 0.00 N ATOM 1437 CA GLU A 97 -10.833 -7.372 4.342 1.00 0.00 C ATOM 1438 C GLU A 97 -10.751 -8.886 4.526 1.00 0.00 C ATOM 1439 O GLU A 97 -10.867 -9.389 5.641 1.00 0.00 O ATOM 1440 CB GLU A 97 -12.227 -6.979 3.867 1.00 0.00 C ATOM 1441 CG GLU A 97 -12.385 -5.492 3.610 1.00 0.00 C ATOM 1442 CD GLU A 97 -13.748 -5.140 3.061 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -13.988 -5.370 1.859 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -14.588 -4.631 3.828 1.00 0.00 O ATOM 0 H GLU A 97 -10.242 -6.432 2.574 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.629 -6.902 5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.457 -7.524 2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.957 -7.290 4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.219 -4.947 4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.619 -5.165 2.907 1.00 0.00 H new ATOM 1451 N GLN A 98 -10.565 -9.606 3.425 1.00 0.00 N ATOM 1452 CA GLN A 98 -10.435 -11.057 3.482 1.00 0.00 C ATOM 1453 C GLN A 98 -9.084 -11.470 4.060 1.00 0.00 C ATOM 1454 O GLN A 98 -9.016 -12.256 5.005 1.00 0.00 O ATOM 1455 CB GLN A 98 -10.577 -11.659 2.081 1.00 0.00 C ATOM 1456 CG GLN A 98 -11.947 -11.470 1.455 1.00 0.00 C ATOM 1457 CD GLN A 98 -13.027 -12.260 2.161 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -13.290 -13.413 1.823 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -13.671 -11.643 3.135 1.00 0.00 N ATOM 0 H GLN A 98 -10.501 -9.211 2.487 1.00 0.00 H new ATOM 0 HA GLN A 98 -11.228 -11.431 4.130 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -9.828 -11.211 1.428 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -10.358 -12.726 2.133 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -12.207 -10.412 1.473 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -11.908 -11.771 0.408 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -13.422 -10.686 3.385 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -14.417 -12.124 3.638 1.00 0.00 H new ATOM 1468 N LEU A 99 -8.015 -10.891 3.522 1.00 0.00 N ATOM 1469 CA LEU A 99 -6.663 -11.341 3.830 1.00 0.00 C ATOM 1470 C LEU A 99 -6.270 -11.039 5.273 1.00 0.00 C ATOM 1471 O LEU A 99 -5.497 -11.783 5.869 1.00 0.00 O ATOM 1472 CB LEU A 99 -5.640 -10.739 2.861 1.00 0.00 C ATOM 1473 CG LEU A 99 -5.818 -11.131 1.386 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -4.589 -10.731 0.587 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -6.087 -12.626 1.239 1.00 0.00 C ATOM 0 H LEU A 99 -8.060 -10.108 2.870 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.660 -12.424 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.687 -9.653 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.642 -11.039 3.181 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.684 -10.597 0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.726 -11.013 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.446 -9.653 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.713 -11.240 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.208 -12.872 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.248 -13.189 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.997 -12.887 1.779 1.00 0.00 H new ATOM 1487 N GLN A 100 -6.794 -9.949 5.829 1.00 0.00 N ATOM 1488 CA GLN A 100 -6.479 -9.577 7.208 1.00 0.00 C ATOM 1489 C GLN A 100 -6.857 -10.702 8.172 1.00 0.00 C ATOM 1490 O GLN A 100 -6.114 -11.008 9.103 1.00 0.00 O ATOM 1491 CB GLN A 100 -7.200 -8.281 7.609 1.00 0.00 C ATOM 1492 CG GLN A 100 -8.718 -8.396 7.626 1.00 0.00 C ATOM 1493 CD GLN A 100 -9.404 -7.152 8.152 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -8.852 -6.423 8.976 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -10.621 -6.912 7.694 1.00 0.00 N ATOM 0 H GLN A 100 -7.433 -9.313 5.352 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.404 -9.408 7.267 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -6.858 -7.978 8.599 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -6.914 -7.489 6.917 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.072 -8.599 6.615 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.005 -9.249 8.241 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.042 -7.542 7.011 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.138 -6.097 8.024 1.00 0.00 H new ATOM 1504 N LYS A 101 -8.016 -11.310 7.943 1.00 0.00 N ATOM 1505 CA LYS A 101 -8.479 -12.417 8.768 1.00 0.00 C ATOM 1506 C LYS A 101 -7.762 -13.713 8.407 1.00 0.00 C ATOM 1507 O LYS A 101 -7.455 -14.528 9.276 1.00 0.00 O ATOM 1508 CB LYS A 101 -9.990 -12.595 8.628 1.00 0.00 C ATOM 1509 CG LYS A 101 -10.786 -11.423 9.179 1.00 0.00 C ATOM 1510 CD LYS A 101 -12.286 -11.641 9.045 1.00 0.00 C ATOM 1511 CE LYS A 101 -12.747 -12.883 9.795 1.00 0.00 C ATOM 1512 NZ LYS A 101 -12.456 -12.803 11.251 1.00 0.00 N ATOM 0 H LYS A 101 -8.653 -11.053 7.189 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.246 -12.178 9.806 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.237 -12.730 7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.291 -13.506 9.146 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.533 -11.274 10.229 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.503 -10.512 8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.816 -10.768 9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.547 -11.736 7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.819 -13.017 9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.256 -13.761 9.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.919 -13.594 11.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.429 -12.855 11.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.816 -11.903 11.628 1.00 0.00 H new ATOM 1526 N LEU A 102 -7.501 -13.894 7.120 1.00 0.00 N ATOM 1527 CA LEU A 102 -6.884 -15.120 6.621 1.00 0.00 C ATOM 1528 C LEU A 102 -5.424 -15.229 7.067 1.00 0.00 C ATOM 1529 O LEU A 102 -4.958 -16.307 7.439 1.00 0.00 O ATOM 1530 CB LEU A 102 -6.988 -15.166 5.093 1.00 0.00 C ATOM 1531 CG LEU A 102 -8.422 -15.155 4.545 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -8.432 -14.951 3.038 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -9.141 -16.444 4.909 1.00 0.00 C ATOM 0 H LEU A 102 -7.707 -13.205 6.397 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.419 -15.972 7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.450 -14.313 4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.484 -16.064 4.735 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.950 -14.318 5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.461 -14.948 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.960 -13.999 2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.882 -15.760 2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.156 -16.419 4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.606 -17.292 4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.178 -16.546 5.994 1.00 0.00 H new ATOM 1545 N GLY A 103 -4.719 -14.108 7.045 1.00 0.00 N ATOM 1546 CA GLY A 103 -3.324 -14.083 7.445 1.00 0.00 C ATOM 1547 C GLY A 103 -2.587 -12.916 6.823 1.00 0.00 C ATOM 1548 O GLY A 103 -2.033 -13.032 5.729 1.00 0.00 O ATOM 0 H GLY A 103 -5.092 -13.204 6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.257 -14.019 8.531 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.844 -15.016 7.151 1.00 0.00 H new ATOM 1552 N VAL A 104 -2.575 -11.786 7.514 1.00 0.00 N ATOM 1553 CA VAL A 104 -2.001 -10.571 6.954 1.00 0.00 C ATOM 1554 C VAL A 104 -0.471 -10.546 7.076 1.00 0.00 C ATOM 1555 O VAL A 104 0.108 -9.935 7.978 1.00 0.00 O ATOM 1556 CB VAL A 104 -2.630 -9.295 7.570 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -2.524 -9.292 9.089 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -1.997 -8.041 6.977 1.00 0.00 C ATOM 0 H VAL A 104 -2.953 -11.684 8.456 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.244 -10.577 5.891 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.691 -9.297 7.318 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -2.976 -8.382 9.483 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.046 -10.160 9.492 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.474 -9.332 9.381 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.453 -7.157 7.423 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.927 -8.041 7.184 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.158 -8.027 5.899 1.00 0.00 H new ATOM 1568 N GLN A 105 0.177 -11.239 6.157 1.00 0.00 N ATOM 1569 CA GLN A 105 1.620 -11.152 6.001 1.00 0.00 C ATOM 1570 C GLN A 105 1.920 -10.484 4.665 1.00 0.00 C ATOM 1571 O GLN A 105 2.880 -10.819 3.968 1.00 0.00 O ATOM 1572 CB GLN A 105 2.250 -12.540 6.075 1.00 0.00 C ATOM 1573 CG GLN A 105 2.029 -13.230 7.412 1.00 0.00 C ATOM 1574 CD GLN A 105 2.699 -14.587 7.489 1.00 0.00 C ATOM 1575 OE1 GLN A 105 2.110 -15.605 7.131 1.00 0.00 O ATOM 1576 NE2 GLN A 105 3.938 -14.614 7.959 1.00 0.00 N ATOM 0 H GLN A 105 -0.277 -11.874 5.501 1.00 0.00 H new ATOM 0 HA GLN A 105 2.048 -10.558 6.808 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.837 -13.162 5.280 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.321 -12.456 5.890 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.411 -12.595 8.211 1.00 0.00 H new ATOM 0 HG3 GLN A 105 0.959 -13.348 7.583 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.394 -13.748 8.246 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.436 -15.501 8.033 1.00 0.00 H new ATOM 1585 N VAL A 106 1.049 -9.547 4.321 1.00 0.00 N ATOM 1586 CA VAL A 106 1.091 -8.840 3.048 1.00 0.00 C ATOM 1587 C VAL A 106 2.315 -7.934 2.915 1.00 0.00 C ATOM 1588 O VAL A 106 2.630 -7.486 1.815 1.00 0.00 O ATOM 1589 CB VAL A 106 -0.190 -8.001 2.823 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -1.435 -8.864 2.985 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -0.244 -6.797 3.757 1.00 0.00 C ATOM 0 H VAL A 106 0.283 -9.252 4.926 1.00 0.00 H new ATOM 0 HA VAL A 106 1.157 -9.614 2.283 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.160 -7.624 1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.324 -8.254 2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.413 -9.675 2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.460 -9.281 3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.157 -6.232 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.234 -7.139 4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.621 -6.158 3.578 1.00 0.00 H new ATOM 1601 N ARG A 107 2.994 -7.668 4.031 1.00 0.00 N ATOM 1602 CA ARG A 107 4.011 -6.620 4.083 1.00 0.00 C ATOM 1603 C ARG A 107 5.139 -6.851 3.080 1.00 0.00 C ATOM 1604 O ARG A 107 5.546 -5.928 2.378 1.00 0.00 O ATOM 1605 CB ARG A 107 4.594 -6.504 5.489 1.00 0.00 C ATOM 1606 CG ARG A 107 5.617 -5.392 5.607 1.00 0.00 C ATOM 1607 CD ARG A 107 6.232 -5.330 6.990 1.00 0.00 C ATOM 1608 NE ARG A 107 7.201 -4.246 7.083 1.00 0.00 N ATOM 1609 CZ ARG A 107 7.908 -3.958 8.170 1.00 0.00 C ATOM 1610 NH1 ARG A 107 7.747 -4.669 9.279 1.00 0.00 N ATOM 1611 NH2 ARG A 107 8.775 -2.952 8.142 1.00 0.00 N ATOM 0 H ARG A 107 2.857 -8.165 4.911 1.00 0.00 H new ATOM 0 HA ARG A 107 3.512 -5.689 3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 107 3.787 -6.326 6.199 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.059 -7.451 5.765 1.00 0.00 H new ATOM 0 HG2 ARG A 107 6.403 -5.543 4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 107 5.143 -4.438 5.378 1.00 0.00 H new ATOM 0 HD2 ARG A 107 5.448 -5.187 7.734 1.00 0.00 H new ATOM 0 HD3 ARG A 107 6.719 -6.278 7.218 1.00 0.00 H new ATOM 0 HE ARG A 107 7.347 -3.668 6.255 1.00 0.00 H new ATOM 0 HH11 ARG A 107 7.079 -5.439 9.298 1.00 0.00 H new ATOM 0 HH12 ARG A 107 8.292 -4.445 10.112 1.00 0.00 H new ATOM 0 HH21 ARG A 107 8.895 -2.406 7.289 1.00 0.00 H new ATOM 0 HH22 ARG A 107 9.321 -2.726 8.973 1.00 0.00 H new ATOM 1625 N GLU A 108 5.634 -8.069 3.002 1.00 0.00 N ATOM 1626 CA GLU A 108 6.653 -8.395 2.018 1.00 0.00 C ATOM 1627 C GLU A 108 6.831 -9.906 1.915 1.00 0.00 C ATOM 1628 O GLU A 108 7.270 -10.424 0.887 1.00 0.00 O ATOM 1629 CB GLU A 108 7.985 -7.719 2.373 1.00 0.00 C ATOM 1630 CG GLU A 108 9.022 -7.789 1.262 1.00 0.00 C ATOM 1631 CD GLU A 108 10.251 -6.950 1.550 1.00 0.00 C ATOM 1632 OE1 GLU A 108 11.185 -7.457 2.206 1.00 0.00 O ATOM 1633 OE2 GLU A 108 10.294 -5.780 1.112 1.00 0.00 O ATOM 0 H GLU A 108 5.353 -8.845 3.601 1.00 0.00 H new ATOM 0 HA GLU A 108 6.326 -8.019 1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 108 7.798 -6.673 2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 108 8.393 -8.188 3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.322 -8.827 1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 108 8.570 -7.454 0.328 1.00 0.00 H new ATOM 1640 N GLU A 109 6.472 -10.610 2.984 1.00 0.00 N ATOM 1641 CA GLU A 109 6.574 -12.063 3.030 1.00 0.00 C ATOM 1642 C GLU A 109 5.796 -12.685 1.873 1.00 0.00 C ATOM 1643 O GLU A 109 6.303 -13.543 1.148 1.00 0.00 O ATOM 1644 CB GLU A 109 6.033 -12.597 4.364 1.00 0.00 C ATOM 1645 CG GLU A 109 6.540 -11.850 5.595 1.00 0.00 C ATOM 1646 CD GLU A 109 5.645 -10.688 5.998 1.00 0.00 C ATOM 1647 OE1 GLU A 109 5.565 -9.696 5.246 1.00 0.00 O ATOM 1648 OE2 GLU A 109 5.022 -10.764 7.076 1.00 0.00 O ATOM 0 H GLU A 109 6.104 -10.191 3.838 1.00 0.00 H new ATOM 0 HA GLU A 109 7.625 -12.336 2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.944 -12.547 4.347 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.302 -13.649 4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.618 -12.547 6.429 1.00 0.00 H new ATOM 0 HG3 GLU A 109 7.544 -11.476 5.397 1.00 0.00 H new ATOM 1655 N LEU A 110 4.573 -12.211 1.683 1.00 0.00 N ATOM 1656 CA LEU A 110 3.702 -12.715 0.628 1.00 0.00 C ATOM 1657 C LEU A 110 4.239 -12.352 -0.759 1.00 0.00 C ATOM 1658 O LEU A 110 3.887 -12.984 -1.754 1.00 0.00 O ATOM 1659 CB LEU A 110 2.290 -12.148 0.808 1.00 0.00 C ATOM 1660 CG LEU A 110 1.248 -12.650 -0.193 1.00 0.00 C ATOM 1661 CD1 LEU A 110 1.058 -14.154 -0.060 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -0.069 -11.924 0.012 1.00 0.00 C ATOM 0 H LEU A 110 4.158 -11.472 2.250 1.00 0.00 H new ATOM 0 HA LEU A 110 3.672 -13.802 0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.947 -12.387 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.342 -11.061 0.738 1.00 0.00 H new ATOM 0 HG LEU A 110 1.606 -12.441 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.313 -14.492 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.005 -14.659 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 110 0.720 -14.390 0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.802 -12.290 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.431 -12.105 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.079 -10.854 -0.134 1.00 0.00 H new ATOM 1674 N LEU A 111 5.105 -11.348 -0.821 1.00 0.00 N ATOM 1675 CA LEU A 111 5.632 -10.869 -2.094 1.00 0.00 C ATOM 1676 C LEU A 111 6.617 -11.861 -2.704 1.00 0.00 C ATOM 1677 O LEU A 111 6.640 -12.043 -3.918 1.00 0.00 O ATOM 1678 CB LEU A 111 6.280 -9.493 -1.934 1.00 0.00 C ATOM 1679 CG LEU A 111 5.315 -8.303 -1.993 1.00 0.00 C ATOM 1680 CD1 LEU A 111 4.248 -8.388 -0.909 1.00 0.00 C ATOM 1681 CD2 LEU A 111 6.082 -7.000 -1.879 1.00 0.00 C ATOM 0 H LEU A 111 5.458 -10.849 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 111 4.790 -10.775 -2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.806 -9.466 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.030 -9.370 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 111 4.807 -8.335 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.584 -7.527 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.671 -9.304 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.725 -8.394 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 111 5.385 -6.163 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 111 6.620 -6.976 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.793 -6.923 -2.702 1.00 0.00 H new ATOM 1693 N ARG A 112 7.418 -12.514 -1.871 1.00 0.00 N ATOM 1694 CA ARG A 112 8.332 -13.544 -2.366 1.00 0.00 C ATOM 1695 C ARG A 112 7.583 -14.846 -2.546 1.00 0.00 C ATOM 1696 O ARG A 112 8.010 -15.734 -3.280 1.00 0.00 O ATOM 1697 CB ARG A 112 9.524 -13.760 -1.432 1.00 0.00 C ATOM 1698 CG ARG A 112 10.504 -12.605 -1.430 1.00 0.00 C ATOM 1699 CD ARG A 112 9.999 -11.445 -0.598 1.00 0.00 C ATOM 1700 NE ARG A 112 10.191 -11.675 0.831 1.00 0.00 N ATOM 1701 CZ ARG A 112 11.016 -10.962 1.593 1.00 0.00 C ATOM 1702 NH1 ARG A 112 11.808 -10.047 1.047 1.00 0.00 N ATOM 1703 NH2 ARG A 112 11.087 -11.197 2.897 1.00 0.00 N ATOM 0 H ARG A 112 7.456 -12.355 -0.864 1.00 0.00 H new ATOM 0 HA ARG A 112 8.725 -13.200 -3.323 1.00 0.00 H new ATOM 0 HB2 ARG A 112 9.157 -13.917 -0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 112 10.047 -14.670 -1.727 1.00 0.00 H new ATOM 0 HG2 ARG A 112 11.464 -12.943 -1.039 1.00 0.00 H new ATOM 0 HG3 ARG A 112 10.676 -12.271 -2.453 1.00 0.00 H new ATOM 0 HD2 ARG A 112 10.520 -10.534 -0.892 1.00 0.00 H new ATOM 0 HD3 ARG A 112 8.940 -11.287 -0.801 1.00 0.00 H new ATOM 0 HE ARG A 112 9.661 -12.427 1.271 1.00 0.00 H new ATOM 0 HH11 ARG A 112 11.785 -9.889 0.040 1.00 0.00 H new ATOM 0 HH12 ARG A 112 12.439 -9.502 1.635 1.00 0.00 H new ATOM 0 HH21 ARG A 112 10.509 -11.925 3.316 1.00 0.00 H new ATOM 0 HH22 ARG A 112 11.720 -10.650 3.480 1.00 0.00 H new ATOM 1717 N ALA A 113 6.457 -14.947 -1.866 1.00 0.00 N ATOM 1718 CA ALA A 113 5.596 -16.114 -1.981 1.00 0.00 C ATOM 1719 C ALA A 113 4.782 -16.066 -3.274 1.00 0.00 C ATOM 1720 O ALA A 113 4.326 -17.096 -3.767 1.00 0.00 O ATOM 1721 CB ALA A 113 4.674 -16.215 -0.776 1.00 0.00 C ATOM 0 H ALA A 113 6.114 -14.232 -1.224 1.00 0.00 H new ATOM 0 HA ALA A 113 6.229 -17.001 -2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 113 4.037 -17.093 -0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 113 5.270 -16.303 0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 113 4.053 -15.321 -0.717 1.00 0.00 H new ATOM 1727 N GLN A 114 4.615 -14.867 -3.826 1.00 0.00 N ATOM 1728 CA GLN A 114 3.826 -14.693 -5.038 1.00 0.00 C ATOM 1729 C GLN A 114 4.727 -14.668 -6.275 1.00 0.00 C ATOM 1730 O GLN A 114 4.259 -14.463 -7.392 1.00 0.00 O ATOM 1731 CB GLN A 114 2.995 -13.406 -4.952 1.00 0.00 C ATOM 1732 CG GLN A 114 3.813 -12.133 -5.106 1.00 0.00 C ATOM 1733 CD GLN A 114 3.035 -10.870 -4.773 1.00 0.00 C ATOM 1734 OE1 GLN A 114 3.246 -9.822 -5.382 1.00 0.00 O ATOM 1735 NE2 GLN A 114 2.163 -10.943 -3.779 1.00 0.00 N ATOM 0 H GLN A 114 5.015 -14.006 -3.454 1.00 0.00 H new ATOM 0 HA GLN A 114 3.147 -15.541 -5.130 1.00 0.00 H new ATOM 0 HB2 GLN A 114 2.227 -13.429 -5.725 1.00 0.00 H new ATOM 0 HB3 GLN A 114 2.480 -13.381 -3.992 1.00 0.00 H new ATOM 0 HG2 GLN A 114 4.688 -12.192 -4.459 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.178 -12.066 -6.131 1.00 0.00 H new ATOM 0 HE21 GLN A 114 2.013 -11.829 -3.296 1.00 0.00 H new ATOM 0 HE22 GLN A 114 1.641 -10.113 -3.496 1.00 0.00 H new ATOM 1744 N GLU A 115 6.021 -14.871 -6.062 1.00 0.00 N ATOM 1745 CA GLU A 115 6.978 -14.931 -7.161 1.00 0.00 C ATOM 1746 C GLU A 115 7.929 -16.107 -6.963 1.00 0.00 C ATOM 1747 O GLU A 115 7.868 -16.796 -5.943 1.00 0.00 O ATOM 1748 CB GLU A 115 7.767 -13.618 -7.274 1.00 0.00 C ATOM 1749 CG GLU A 115 8.656 -13.315 -6.075 1.00 0.00 C ATOM 1750 CD GLU A 115 9.488 -12.059 -6.266 1.00 0.00 C ATOM 1751 OE1 GLU A 115 10.588 -12.151 -6.855 1.00 0.00 O ATOM 1752 OE2 GLU A 115 9.053 -10.974 -5.824 1.00 0.00 O ATOM 0 H GLU A 115 6.433 -14.997 -5.137 1.00 0.00 H new ATOM 0 HA GLU A 115 6.426 -15.074 -8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 115 8.386 -13.656 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 115 7.064 -12.796 -7.407 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.035 -13.203 -5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.319 -14.162 -5.896 1.00 0.00 H new ATOM 1759 N ALA A 116 8.786 -16.346 -7.939 1.00 0.00 N ATOM 1760 CA ALA A 116 9.764 -17.417 -7.850 1.00 0.00 C ATOM 1761 C ALA A 116 11.081 -16.989 -8.483 1.00 0.00 C ATOM 1762 O ALA A 116 11.181 -16.883 -9.706 1.00 0.00 O ATOM 1763 CB ALA A 116 9.239 -18.674 -8.526 1.00 0.00 C ATOM 0 H ALA A 116 8.825 -15.811 -8.806 1.00 0.00 H new ATOM 0 HA ALA A 116 9.939 -17.636 -6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 116 9.984 -19.466 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 116 8.319 -18.993 -8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 116 9.037 -18.465 -9.577 1.00 0.00 H new ATOM 1769 N PRO A 117 12.103 -16.723 -7.653 1.00 0.00 N ATOM 1770 CA PRO A 117 13.430 -16.317 -8.121 1.00 0.00 C ATOM 1771 C PRO A 117 14.213 -17.478 -8.721 1.00 0.00 C ATOM 1772 O PRO A 117 15.256 -17.887 -8.204 1.00 0.00 O ATOM 1773 CB PRO A 117 14.134 -15.811 -6.862 1.00 0.00 C ATOM 1774 CG PRO A 117 13.096 -15.785 -5.789 1.00 0.00 C ATOM 1775 CD PRO A 117 12.048 -16.778 -6.190 1.00 0.00 C ATOM 0 HA PRO A 117 13.358 -15.570 -8.911 1.00 0.00 H new ATOM 0 HB2 PRO A 117 14.961 -16.466 -6.588 1.00 0.00 H new ATOM 0 HB3 PRO A 117 14.553 -14.818 -7.023 1.00 0.00 H new ATOM 0 HG2 PRO A 117 13.529 -16.046 -4.823 1.00 0.00 H new ATOM 0 HG3 PRO A 117 12.668 -14.788 -5.687 1.00 0.00 H new ATOM 0 HD2 PRO A 117 12.269 -17.776 -5.813 1.00 0.00 H new ATOM 0 HD3 PRO A 117 11.063 -16.505 -5.810 1.00 0.00 H new ATOM 1783 N GLY A 118 13.695 -17.993 -9.812 1.00 0.00 N ATOM 1784 CA GLY A 118 14.299 -19.123 -10.480 1.00 0.00 C ATOM 1785 C GLY A 118 13.638 -19.388 -11.813 1.00 0.00 C ATOM 1786 O GLY A 118 12.526 -19.915 -11.868 1.00 0.00 O ATOM 0 H GLY A 118 12.848 -17.643 -10.260 1.00 0.00 H new ATOM 0 HA2 GLY A 118 15.362 -18.935 -10.630 1.00 0.00 H new ATOM 0 HA3 GLY A 118 14.218 -20.008 -9.849 1.00 0.00 H new ATOM 1790 N GLN A 119 14.312 -19.005 -12.886 1.00 0.00 N ATOM 1791 CA GLN A 119 13.761 -19.145 -14.224 1.00 0.00 C ATOM 1792 C GLN A 119 14.882 -19.144 -15.256 1.00 0.00 C ATOM 1793 O GLN A 119 15.373 -18.088 -15.659 1.00 0.00 O ATOM 1794 CB GLN A 119 12.775 -18.004 -14.509 1.00 0.00 C ATOM 1795 CG GLN A 119 11.962 -18.184 -15.783 1.00 0.00 C ATOM 1796 CD GLN A 119 11.111 -19.438 -15.762 1.00 0.00 C ATOM 1797 OE1 GLN A 119 9.975 -19.423 -15.291 1.00 0.00 O ATOM 1798 NE2 GLN A 119 11.639 -20.523 -16.301 1.00 0.00 N ATOM 0 H GLN A 119 15.245 -18.593 -12.856 1.00 0.00 H new ATOM 0 HA GLN A 119 13.228 -20.094 -14.289 1.00 0.00 H new ATOM 0 HB2 GLN A 119 12.091 -17.911 -13.665 1.00 0.00 H new ATOM 0 HB3 GLN A 119 13.329 -17.068 -14.575 1.00 0.00 H new ATOM 0 HG2 GLN A 119 11.319 -17.316 -15.924 1.00 0.00 H new ATOM 0 HG3 GLN A 119 12.637 -18.223 -16.638 1.00 0.00 H new ATOM 0 HE21 GLN A 119 12.585 -20.495 -16.681 1.00 0.00 H new ATOM 0 HE22 GLN A 119 11.100 -21.388 -16.337 1.00 0.00 H new ATOM 1807 N ALA A 120 15.296 -20.331 -15.669 1.00 0.00 N ATOM 1808 CA ALA A 120 16.368 -20.472 -16.638 1.00 0.00 C ATOM 1809 C ALA A 120 16.041 -21.581 -17.628 1.00 0.00 C ATOM 1810 O ALA A 120 16.431 -22.739 -17.381 1.00 0.00 O ATOM 1811 CB ALA A 120 17.689 -20.752 -15.933 1.00 0.00 C ATOM 1812 OXT ALA A 120 15.367 -21.296 -18.639 1.00 0.00 O ATOM 0 H ALA A 120 14.903 -21.215 -15.345 1.00 0.00 H new ATOM 0 HA ALA A 120 16.467 -19.536 -17.189 1.00 0.00 H new ATOM 0 HB1 ALA A 120 18.482 -20.855 -16.674 1.00 0.00 H new ATOM 0 HB2 ALA A 120 17.925 -19.927 -15.261 1.00 0.00 H new ATOM 0 HB3 ALA A 120 17.607 -21.675 -15.359 1.00 0.00 H new TER 1818 ALA A 120