USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 804 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 65 LYS NZ :NH3+ -162:sc= 0.799 (180deg=-0.68) USER MOD Set 1.2: A 83 THR OG1 : rot -108:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.121 (180deg=-0.609) USER MOD Single : A 1 MET N :NH3+ 146:sc= -0.0309 (180deg=-0.116) USER MOD Single : A 8 ASN : amide:sc= -2.14! K(o=-2.1!,f=-0.018) USER MOD Single : A 13 THR OG1 : rot 66:sc= 1.27 USER MOD Single : A 19 CYS SG : rot 75:sc= 2.22 USER MOD Single : A 20 LYS NZ :NH3+ 143:sc= -1.12 (180deg=-3.09!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.21) USER MOD Single : A 28 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0973) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= 1.16 (180deg=1.08) USER MOD Single : A 39 LYS NZ :NH3+ 177:sc= 0.921 (180deg=0.905) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0122) USER MOD Single : A 53 GLN : amide:sc= -1.1 K(o=-1.1,f=-4!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 1.31 (180deg=1.31) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.943 X(o=-0.94,f=-1.2) USER MOD Single : A 70 ASN : amide:sc= -0.842 X(o=-0.84,f=-0.67) USER MOD Single : A 72 SER OG : rot -80:sc= -0.156 USER MOD Single : A 79 SER OG : rot 58:sc= 0.265 USER MOD Single : A 84 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0424) USER MOD Single : A 88 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.528) USER MOD Single : A 92 SER OG : rot -28:sc= 0.102 USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.296) USER MOD Single : A 106 MET CE :methyl 137:sc= -0.832 (180deg=-1.92) USER MOD Single : A 108 LYS NZ :NH3+ 160:sc= -0.129 (180deg=-0.595) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.133 8.634 0.770 1.00 0.00 N ATOM 2 CA MET A 1 -19.685 8.784 0.491 1.00 0.00 C ATOM 3 C MET A 1 -19.103 7.466 -0.009 1.00 0.00 C ATOM 4 O MET A 1 -19.372 6.403 0.550 1.00 0.00 O ATOM 5 CB MET A 1 -18.938 9.259 1.748 1.00 0.00 C ATOM 6 CG MET A 1 -19.094 8.344 2.952 1.00 0.00 C ATOM 7 SD MET A 1 -18.197 8.933 4.403 1.00 0.00 S ATOM 8 CE MET A 1 -19.002 10.509 4.693 1.00 0.00 C ATOM 0 H1 MET A 1 -21.395 9.233 1.579 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.679 8.923 -0.066 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.342 7.640 0.993 1.00 0.00 H new ATOM 0 HA MET A 1 -19.559 9.537 -0.287 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.878 9.353 1.513 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.295 10.254 2.014 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.152 8.252 3.198 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.740 7.347 2.692 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.810 10.833 5.716 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.610 11.251 3.998 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.076 10.402 4.542 1.00 0.00 H new ATOM 20 N ALA A 2 -18.317 7.544 -1.078 1.00 0.00 N ATOM 21 CA ALA A 2 -17.726 6.361 -1.693 1.00 0.00 C ATOM 22 C ALA A 2 -16.568 5.837 -0.859 1.00 0.00 C ATOM 23 O ALA A 2 -16.265 4.643 -0.872 1.00 0.00 O ATOM 24 CB ALA A 2 -17.261 6.679 -3.106 1.00 0.00 C ATOM 0 H ALA A 2 -18.073 8.421 -1.539 1.00 0.00 H new ATOM 0 HA ALA A 2 -18.488 5.583 -1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -16.822 5.788 -3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -18.112 7.004 -3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.516 7.474 -3.074 1.00 0.00 H new ATOM 30 N PHE A 3 -15.918 6.738 -0.144 1.00 0.00 N ATOM 31 CA PHE A 3 -14.829 6.368 0.741 1.00 0.00 C ATOM 32 C PHE A 3 -15.194 6.711 2.176 1.00 0.00 C ATOM 33 O PHE A 3 -15.738 7.781 2.446 1.00 0.00 O ATOM 34 CB PHE A 3 -13.539 7.081 0.334 1.00 0.00 C ATOM 35 CG PHE A 3 -13.153 6.837 -1.096 1.00 0.00 C ATOM 36 CD1 PHE A 3 -12.693 5.595 -1.502 1.00 0.00 C ATOM 37 CD2 PHE A 3 -13.255 7.848 -2.034 1.00 0.00 C ATOM 38 CE1 PHE A 3 -12.341 5.367 -2.817 1.00 0.00 C ATOM 39 CE2 PHE A 3 -12.905 7.627 -3.350 1.00 0.00 C ATOM 40 CZ PHE A 3 -12.447 6.385 -3.743 1.00 0.00 C ATOM 0 H PHE A 3 -16.127 7.736 -0.160 1.00 0.00 H new ATOM 0 HA PHE A 3 -14.662 5.294 0.664 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -13.658 8.153 0.493 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -12.729 6.750 0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -12.609 4.795 -0.781 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -13.613 8.822 -1.733 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -11.983 4.394 -3.121 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.989 8.425 -4.073 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.172 6.211 -4.773 1.00 0.00 H new ATOM 50 N ALA A 4 -14.888 5.801 3.087 1.00 0.00 N ATOM 51 CA ALA A 4 -15.243 5.962 4.491 1.00 0.00 C ATOM 52 C ALA A 4 -14.223 6.821 5.227 1.00 0.00 C ATOM 53 O ALA A 4 -14.311 7.001 6.442 1.00 0.00 O ATOM 54 CB ALA A 4 -15.360 4.600 5.156 1.00 0.00 C ATOM 0 H ALA A 4 -14.390 4.936 2.878 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.205 6.471 4.540 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -15.626 4.729 6.205 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -16.132 4.016 4.655 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -14.406 4.077 5.085 1.00 0.00 H new ATOM 60 N GLY A 5 -13.254 7.344 4.490 1.00 0.00 N ATOM 61 CA GLY A 5 -12.211 8.145 5.094 1.00 0.00 C ATOM 62 C GLY A 5 -10.973 7.325 5.384 1.00 0.00 C ATOM 63 O GLY A 5 -9.925 7.871 5.729 1.00 0.00 O ATOM 0 H GLY A 5 -13.172 7.227 3.480 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.954 8.969 4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -12.581 8.586 6.020 1.00 0.00 H new ATOM 67 N ILE A 6 -11.102 6.006 5.237 1.00 0.00 N ATOM 68 CA ILE A 6 -9.984 5.085 5.434 1.00 0.00 C ATOM 69 C ILE A 6 -8.847 5.435 4.481 1.00 0.00 C ATOM 70 O ILE A 6 -7.668 5.332 4.821 1.00 0.00 O ATOM 71 CB ILE A 6 -10.428 3.621 5.208 1.00 0.00 C ATOM 72 CG1 ILE A 6 -11.540 3.249 6.193 1.00 0.00 C ATOM 73 CG2 ILE A 6 -9.247 2.669 5.346 1.00 0.00 C ATOM 74 CD1 ILE A 6 -12.110 1.864 5.970 1.00 0.00 C ATOM 0 H ILE A 6 -11.977 5.550 4.980 1.00 0.00 H new ATOM 0 HA ILE A 6 -9.637 5.184 6.462 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.816 3.530 4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.150 3.313 7.209 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -12.344 3.981 6.113 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.584 1.645 5.183 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.487 2.923 4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.824 2.757 6.347 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.892 1.670 6.704 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.530 1.801 4.966 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.318 1.123 6.079 1.00 0.00 H new ATOM 86 N LEU A 7 -9.219 5.855 3.286 1.00 0.00 N ATOM 87 CA LEU A 7 -8.268 6.379 2.332 1.00 0.00 C ATOM 88 C LEU A 7 -8.870 7.598 1.652 1.00 0.00 C ATOM 89 O LEU A 7 -10.070 7.642 1.382 1.00 0.00 O ATOM 90 CB LEU A 7 -7.815 5.299 1.310 1.00 0.00 C ATOM 91 CG LEU A 7 -8.820 4.810 0.239 1.00 0.00 C ATOM 92 CD1 LEU A 7 -10.175 4.467 0.831 1.00 0.00 C ATOM 93 CD2 LEU A 7 -8.957 5.810 -0.903 1.00 0.00 C ATOM 0 H LEU A 7 -10.183 5.842 2.954 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.364 6.682 2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.940 5.687 0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.488 4.427 1.876 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.408 3.888 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.843 4.129 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.059 3.674 1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.597 5.351 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.671 5.431 -1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.310 6.764 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.988 5.951 -1.381 1.00 0.00 H new ATOM 105 N ASN A 8 -8.052 8.610 1.436 1.00 0.00 N ATOM 106 CA ASN A 8 -8.494 9.805 0.741 1.00 0.00 C ATOM 107 C ASN A 8 -8.095 9.712 -0.717 1.00 0.00 C ATOM 108 O ASN A 8 -6.912 9.711 -1.043 1.00 0.00 O ATOM 109 CB ASN A 8 -7.884 11.062 1.375 1.00 0.00 C ATOM 110 CG ASN A 8 -8.526 11.441 2.702 1.00 0.00 C ATOM 111 OD1 ASN A 8 -8.633 12.622 3.035 1.00 0.00 O ATOM 112 ND2 ASN A 8 -8.949 10.453 3.474 1.00 0.00 N ATOM 0 H ASN A 8 -7.076 8.629 1.732 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.579 9.879 0.820 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.817 10.901 1.529 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.984 11.896 0.680 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.379 10.659 4.376 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.845 9.486 3.167 1.00 0.00 H new ATOM 119 N ASP A 9 -9.100 9.620 -1.586 1.00 0.00 N ATOM 120 CA ASP A 9 -8.890 9.535 -3.033 1.00 0.00 C ATOM 121 C ASP A 9 -7.940 10.625 -3.506 1.00 0.00 C ATOM 122 O ASP A 9 -7.102 10.394 -4.368 1.00 0.00 O ATOM 123 CB ASP A 9 -10.233 9.658 -3.767 1.00 0.00 C ATOM 124 CG ASP A 9 -10.090 9.768 -5.278 1.00 0.00 C ATOM 125 OD1 ASP A 9 -9.990 10.906 -5.786 1.00 0.00 O ATOM 126 OD2 ASP A 9 -10.109 8.726 -5.969 1.00 0.00 O ATOM 0 H ASP A 9 -10.082 9.602 -1.309 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.444 8.566 -3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.848 8.790 -3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.763 10.535 -3.395 1.00 0.00 H new ATOM 131 N ALA A 10 -8.061 11.801 -2.910 1.00 0.00 N ATOM 132 CA ALA A 10 -7.225 12.940 -3.261 1.00 0.00 C ATOM 133 C ALA A 10 -5.774 12.730 -2.824 1.00 0.00 C ATOM 134 O ALA A 10 -4.843 13.185 -3.494 1.00 0.00 O ATOM 135 CB ALA A 10 -7.790 14.198 -2.625 1.00 0.00 C ATOM 0 H ALA A 10 -8.738 11.993 -2.172 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.227 13.045 -4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.164 15.051 -2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.804 14.366 -2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.808 14.081 -1.541 1.00 0.00 H new ATOM 141 N ASP A 11 -5.585 12.037 -1.706 1.00 0.00 N ATOM 142 CA ASP A 11 -4.248 11.816 -1.156 1.00 0.00 C ATOM 143 C ASP A 11 -3.584 10.648 -1.853 1.00 0.00 C ATOM 144 O ASP A 11 -2.392 10.674 -2.162 1.00 0.00 O ATOM 145 CB ASP A 11 -4.309 11.538 0.345 1.00 0.00 C ATOM 146 CG ASP A 11 -3.204 12.241 1.109 1.00 0.00 C ATOM 147 OD1 ASP A 11 -2.039 12.179 0.675 1.00 0.00 O ATOM 148 OD2 ASP A 11 -3.501 12.872 2.149 1.00 0.00 O ATOM 0 H ASP A 11 -6.339 11.618 -1.162 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.666 12.723 -1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.276 11.859 0.732 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.238 10.464 0.516 1.00 0.00 H new ATOM 153 N ILE A 12 -4.372 9.620 -2.089 1.00 0.00 N ATOM 154 CA ILE A 12 -3.926 8.462 -2.842 1.00 0.00 C ATOM 155 C ILE A 12 -3.558 8.881 -4.263 1.00 0.00 C ATOM 156 O ILE A 12 -2.495 8.522 -4.769 1.00 0.00 O ATOM 157 CB ILE A 12 -5.015 7.364 -2.858 1.00 0.00 C ATOM 158 CG1 ILE A 12 -4.967 6.520 -1.576 1.00 0.00 C ATOM 159 CG2 ILE A 12 -4.877 6.463 -4.077 1.00 0.00 C ATOM 160 CD1 ILE A 12 -5.251 7.283 -0.302 1.00 0.00 C ATOM 0 H ILE A 12 -5.338 9.562 -1.766 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.042 8.046 -2.357 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.980 7.868 -2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.689 5.708 -1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.981 6.062 -1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.658 5.702 -4.057 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.975 7.060 -4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.900 5.980 -4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.195 6.604 0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.514 8.077 -0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.249 7.718 -0.353 1.00 0.00 H new ATOM 172 N THR A 13 -4.429 9.674 -4.886 1.00 0.00 N ATOM 173 CA THR A 13 -4.148 10.237 -6.200 1.00 0.00 C ATOM 174 C THR A 13 -2.887 11.098 -6.147 1.00 0.00 C ATOM 175 O THR A 13 -2.143 11.176 -7.115 1.00 0.00 O ATOM 176 CB THR A 13 -5.337 11.078 -6.720 1.00 0.00 C ATOM 177 OG1 THR A 13 -6.494 10.245 -6.873 1.00 0.00 O ATOM 178 CG2 THR A 13 -5.017 11.746 -8.050 1.00 0.00 C ATOM 0 H THR A 13 -5.335 9.939 -4.499 1.00 0.00 H new ATOM 0 HA THR A 13 -3.991 9.408 -6.890 1.00 0.00 H new ATOM 0 HB THR A 13 -5.533 11.860 -5.986 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.786 9.926 -5.994 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.877 12.327 -8.382 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.158 12.406 -7.928 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.786 10.983 -8.794 1.00 0.00 H new ATOM 186 N ALA A 14 -2.643 11.724 -5.001 1.00 0.00 N ATOM 187 CA ALA A 14 -1.440 12.525 -4.816 1.00 0.00 C ATOM 188 C ALA A 14 -0.192 11.645 -4.847 1.00 0.00 C ATOM 189 O ALA A 14 0.750 11.925 -5.586 1.00 0.00 O ATOM 190 CB ALA A 14 -1.519 13.306 -3.515 1.00 0.00 C ATOM 0 H ALA A 14 -3.260 11.692 -4.189 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.370 13.236 -5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.613 13.899 -3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.385 13.967 -3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.615 12.613 -2.680 1.00 0.00 H new ATOM 196 N ALA A 15 -0.188 10.583 -4.041 1.00 0.00 N ATOM 197 CA ALA A 15 0.901 9.606 -4.059 1.00 0.00 C ATOM 198 C ALA A 15 1.118 9.038 -5.462 1.00 0.00 C ATOM 199 O ALA A 15 2.254 8.871 -5.906 1.00 0.00 O ATOM 200 CB ALA A 15 0.613 8.479 -3.080 1.00 0.00 C ATOM 0 H ALA A 15 -0.926 10.377 -3.368 1.00 0.00 H new ATOM 0 HA ALA A 15 1.814 10.119 -3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.431 7.759 -3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.517 8.887 -2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.316 7.982 -3.360 1.00 0.00 H new ATOM 206 N LEU A 16 0.022 8.751 -6.153 1.00 0.00 N ATOM 207 CA LEU A 16 0.082 8.183 -7.496 1.00 0.00 C ATOM 208 C LEU A 16 0.574 9.212 -8.515 1.00 0.00 C ATOM 209 O LEU A 16 1.304 8.874 -9.444 1.00 0.00 O ATOM 210 CB LEU A 16 -1.294 7.640 -7.893 1.00 0.00 C ATOM 211 CG LEU A 16 -1.787 6.469 -7.039 1.00 0.00 C ATOM 212 CD1 LEU A 16 -3.276 6.260 -7.221 1.00 0.00 C ATOM 213 CD2 LEU A 16 -1.042 5.197 -7.402 1.00 0.00 C ATOM 0 H LEU A 16 -0.924 8.903 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 16 0.799 7.362 -7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.021 8.449 -7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.258 7.323 -8.935 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.593 6.709 -5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.604 5.423 -6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.809 7.162 -6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.488 6.044 -8.268 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.405 4.374 -6.786 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.210 4.964 -8.453 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.025 5.338 -7.228 1.00 0.00 H new ATOM 225 N ALA A 17 0.184 10.468 -8.331 1.00 0.00 N ATOM 226 CA ALA A 17 0.616 11.547 -9.214 1.00 0.00 C ATOM 227 C ALA A 17 2.069 11.909 -8.947 1.00 0.00 C ATOM 228 O ALA A 17 2.752 12.471 -9.802 1.00 0.00 O ATOM 229 CB ALA A 17 -0.273 12.767 -9.042 1.00 0.00 C ATOM 0 H ALA A 17 -0.433 10.766 -7.575 1.00 0.00 H new ATOM 0 HA ALA A 17 0.531 11.199 -10.244 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.065 13.560 -9.709 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.303 12.504 -9.284 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.220 13.113 -8.010 1.00 0.00 H new ATOM 235 N ALA A 18 2.536 11.591 -7.748 1.00 0.00 N ATOM 236 CA ALA A 18 3.941 11.748 -7.412 1.00 0.00 C ATOM 237 C ALA A 18 4.756 10.694 -8.144 1.00 0.00 C ATOM 238 O ALA A 18 5.951 10.858 -8.380 1.00 0.00 O ATOM 239 CB ALA A 18 4.148 11.641 -5.909 1.00 0.00 C ATOM 0 H ALA A 18 1.960 11.222 -6.991 1.00 0.00 H new ATOM 0 HA ALA A 18 4.275 12.737 -7.725 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.206 11.761 -5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.576 12.421 -5.407 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.810 10.664 -5.564 1.00 0.00 H new ATOM 245 N CYS A 19 4.081 9.622 -8.524 1.00 0.00 N ATOM 246 CA CYS A 19 4.707 8.530 -9.247 1.00 0.00 C ATOM 247 C CYS A 19 4.333 8.594 -10.724 1.00 0.00 C ATOM 248 O CYS A 19 4.208 7.570 -11.393 1.00 0.00 O ATOM 249 CB CYS A 19 4.269 7.196 -8.648 1.00 0.00 C ATOM 250 SG CYS A 19 4.547 7.066 -6.866 1.00 0.00 S ATOM 0 H CYS A 19 3.087 9.485 -8.340 1.00 0.00 H new ATOM 0 HA CYS A 19 5.790 8.620 -9.159 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.209 7.048 -8.852 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.805 6.390 -9.149 1.00 0.00 H new ATOM 0 HG CYS A 19 3.661 7.778 -6.235 1.00 0.00 H new ATOM 256 N LYS A 20 4.154 9.814 -11.226 1.00 0.00 N ATOM 257 CA LYS A 20 3.807 10.039 -12.618 1.00 0.00 C ATOM 258 C LYS A 20 4.970 9.679 -13.536 1.00 0.00 C ATOM 259 O LYS A 20 4.816 9.604 -14.754 1.00 0.00 O ATOM 260 CB LYS A 20 3.415 11.501 -12.812 1.00 0.00 C ATOM 261 CG LYS A 20 4.534 12.488 -12.500 1.00 0.00 C ATOM 262 CD LYS A 20 4.062 13.938 -12.564 1.00 0.00 C ATOM 263 CE LYS A 20 3.972 14.474 -13.991 1.00 0.00 C ATOM 264 NZ LYS A 20 2.901 13.823 -14.789 1.00 0.00 N ATOM 0 H LYS A 20 4.246 10.669 -10.677 1.00 0.00 H new ATOM 0 HA LYS A 20 2.965 9.398 -12.877 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.093 11.647 -13.843 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.559 11.725 -12.176 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.931 12.281 -11.506 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.351 12.343 -13.207 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.084 14.017 -12.090 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.746 14.563 -11.990 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.791 15.548 -13.959 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.930 14.326 -14.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.457 14.526 -15.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.312 13.060 -15.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.184 13.426 -14.149 1.00 0.00 H new ATOM 278 N ALA A 21 6.134 9.477 -12.936 1.00 0.00 N ATOM 279 CA ALA A 21 7.316 9.075 -13.672 1.00 0.00 C ATOM 280 C ALA A 21 7.166 7.645 -14.173 1.00 0.00 C ATOM 281 O ALA A 21 7.067 6.708 -13.377 1.00 0.00 O ATOM 282 CB ALA A 21 8.549 9.210 -12.794 1.00 0.00 C ATOM 0 H ALA A 21 6.282 9.587 -11.933 1.00 0.00 H new ATOM 0 HA ALA A 21 7.433 9.729 -14.536 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.431 8.905 -13.357 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.660 10.248 -12.479 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.441 8.574 -11.915 1.00 0.00 H new ATOM 288 N GLU A 22 7.134 7.493 -15.491 1.00 0.00 N ATOM 289 CA GLU A 22 6.976 6.188 -16.121 1.00 0.00 C ATOM 290 C GLU A 22 8.047 5.213 -15.654 1.00 0.00 C ATOM 291 O GLU A 22 9.236 5.396 -15.931 1.00 0.00 O ATOM 292 CB GLU A 22 7.040 6.323 -17.642 1.00 0.00 C ATOM 293 CG GLU A 22 5.907 7.144 -18.230 1.00 0.00 C ATOM 294 CD GLU A 22 4.558 6.473 -18.089 1.00 0.00 C ATOM 295 OE1 GLU A 22 4.406 5.326 -18.559 1.00 0.00 O ATOM 296 OE2 GLU A 22 3.641 7.091 -17.516 1.00 0.00 O ATOM 0 H GLU A 22 7.216 8.267 -16.151 1.00 0.00 H new ATOM 0 HA GLU A 22 6.002 5.797 -15.829 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.990 6.781 -17.918 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.025 5.328 -18.087 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.877 8.116 -17.738 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.108 7.327 -19.286 1.00 0.00 H new ATOM 303 N GLY A 23 7.621 4.193 -14.930 1.00 0.00 N ATOM 304 CA GLY A 23 8.532 3.148 -14.508 1.00 0.00 C ATOM 305 C GLY A 23 9.172 3.423 -13.162 1.00 0.00 C ATOM 306 O GLY A 23 9.970 2.626 -12.673 1.00 0.00 O ATOM 0 H GLY A 23 6.656 4.068 -14.624 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.993 2.202 -14.460 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.314 3.032 -15.258 1.00 0.00 H new ATOM 310 N SER A 24 8.825 4.546 -12.556 1.00 0.00 N ATOM 311 CA SER A 24 9.418 4.936 -11.288 1.00 0.00 C ATOM 312 C SER A 24 8.339 5.170 -10.234 1.00 0.00 C ATOM 313 O SER A 24 7.953 6.311 -9.963 1.00 0.00 O ATOM 314 CB SER A 24 10.262 6.195 -11.481 1.00 0.00 C ATOM 315 OG SER A 24 11.170 6.038 -12.560 1.00 0.00 O ATOM 0 H SER A 24 8.136 5.203 -12.921 1.00 0.00 H new ATOM 0 HA SER A 24 10.059 4.128 -10.936 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.611 7.048 -11.670 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.813 6.412 -10.566 1.00 0.00 H new ATOM 0 HG SER A 24 11.698 6.857 -12.665 1.00 0.00 H new ATOM 321 N PHE A 25 7.852 4.084 -9.647 1.00 0.00 N ATOM 322 CA PHE A 25 6.811 4.167 -8.635 1.00 0.00 C ATOM 323 C PHE A 25 7.426 4.188 -7.246 1.00 0.00 C ATOM 324 O PHE A 25 8.347 3.423 -6.959 1.00 0.00 O ATOM 325 CB PHE A 25 5.855 2.977 -8.747 1.00 0.00 C ATOM 326 CG PHE A 25 4.556 3.182 -8.018 1.00 0.00 C ATOM 327 CD1 PHE A 25 3.508 3.851 -8.627 1.00 0.00 C ATOM 328 CD2 PHE A 25 4.383 2.708 -6.728 1.00 0.00 C ATOM 329 CE1 PHE A 25 2.314 4.046 -7.963 1.00 0.00 C ATOM 330 CE2 PHE A 25 3.191 2.901 -6.058 1.00 0.00 C ATOM 331 CZ PHE A 25 2.154 3.571 -6.676 1.00 0.00 C ATOM 0 H PHE A 25 8.163 3.135 -9.856 1.00 0.00 H new ATOM 0 HA PHE A 25 6.254 5.089 -8.798 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.646 2.787 -9.800 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.347 2.087 -8.354 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.626 4.225 -9.633 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.190 2.181 -6.240 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.505 4.570 -8.450 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.070 2.528 -5.052 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.221 3.723 -6.155 1.00 0.00 H new ATOM 341 N ASP A 26 6.921 5.057 -6.389 1.00 0.00 N ATOM 342 CA ASP A 26 7.392 5.118 -5.017 1.00 0.00 C ATOM 343 C ASP A 26 6.389 4.429 -4.097 1.00 0.00 C ATOM 344 O ASP A 26 5.437 5.046 -3.615 1.00 0.00 O ATOM 345 CB ASP A 26 7.616 6.566 -4.579 1.00 0.00 C ATOM 346 CG ASP A 26 8.449 6.660 -3.316 1.00 0.00 C ATOM 347 OD1 ASP A 26 7.875 6.649 -2.212 1.00 0.00 O ATOM 348 OD2 ASP A 26 9.691 6.743 -3.424 1.00 0.00 O ATOM 0 H ASP A 26 6.187 5.728 -6.617 1.00 0.00 H new ATOM 0 HA ASP A 26 8.348 4.599 -4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.112 7.114 -5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.652 7.047 -4.413 1.00 0.00 H new ATOM 353 N HIS A 27 6.600 3.132 -3.885 1.00 0.00 N ATOM 354 CA HIS A 27 5.724 2.318 -3.037 1.00 0.00 C ATOM 355 C HIS A 27 5.652 2.886 -1.624 1.00 0.00 C ATOM 356 O HIS A 27 4.679 2.684 -0.897 1.00 0.00 O ATOM 357 CB HIS A 27 6.224 0.854 -3.010 1.00 0.00 C ATOM 358 CG HIS A 27 7.023 0.464 -1.790 1.00 0.00 C ATOM 359 ND1 HIS A 27 6.447 0.001 -0.622 1.00 0.00 N ATOM 360 CD2 HIS A 27 8.360 0.468 -1.565 1.00 0.00 C ATOM 361 CE1 HIS A 27 7.395 -0.257 0.261 1.00 0.00 C ATOM 362 NE2 HIS A 27 8.563 0.017 -0.284 1.00 0.00 N ATOM 0 H HIS A 27 7.379 2.615 -4.293 1.00 0.00 H new ATOM 0 HA HIS A 27 4.719 2.339 -3.458 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.361 0.192 -3.085 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.836 0.681 -3.895 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.125 0.770 -2.265 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.239 -0.630 1.262 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.470 -0.089 0.171 1.00 0.00 H new ATOM 371 N LYS A 28 6.695 3.599 -1.256 1.00 0.00 N ATOM 372 CA LYS A 28 6.835 4.124 0.080 1.00 0.00 C ATOM 373 C LYS A 28 5.858 5.264 0.314 1.00 0.00 C ATOM 374 O LYS A 28 5.109 5.255 1.291 1.00 0.00 O ATOM 375 CB LYS A 28 8.276 4.577 0.270 1.00 0.00 C ATOM 376 CG LYS A 28 8.590 5.114 1.658 1.00 0.00 C ATOM 377 CD LYS A 28 10.079 5.373 1.824 1.00 0.00 C ATOM 378 CE LYS A 28 10.397 5.982 3.182 1.00 0.00 C ATOM 379 NZ LYS A 28 9.865 7.363 3.314 1.00 0.00 N ATOM 0 H LYS A 28 7.470 3.830 -1.878 1.00 0.00 H new ATOM 0 HA LYS A 28 6.602 3.351 0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.938 3.737 0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.500 5.350 -0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.037 6.038 1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.256 4.400 2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.626 4.437 1.708 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.422 6.043 1.036 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.975 5.355 3.968 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.477 5.994 3.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.245 7.800 4.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.150 7.925 2.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.827 7.331 3.370 1.00 0.00 H new ATOM 393 N ALA A 29 5.855 6.234 -0.589 1.00 0.00 N ATOM 394 CA ALA A 29 4.897 7.328 -0.533 1.00 0.00 C ATOM 395 C ALA A 29 3.478 6.782 -0.518 1.00 0.00 C ATOM 396 O ALA A 29 2.602 7.291 0.178 1.00 0.00 O ATOM 397 CB ALA A 29 5.082 8.264 -1.718 1.00 0.00 C ATOM 0 H ALA A 29 6.507 6.285 -1.371 1.00 0.00 H new ATOM 0 HA ALA A 29 5.071 7.891 0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.356 9.075 -1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.090 8.677 -1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.932 7.711 -2.645 1.00 0.00 H new ATOM 403 N PHE A 30 3.268 5.716 -1.266 1.00 0.00 N ATOM 404 CA PHE A 30 1.951 5.130 -1.386 1.00 0.00 C ATOM 405 C PHE A 30 1.489 4.519 -0.056 1.00 0.00 C ATOM 406 O PHE A 30 0.295 4.437 0.201 1.00 0.00 O ATOM 407 CB PHE A 30 1.943 4.076 -2.499 1.00 0.00 C ATOM 408 CG PHE A 30 0.579 3.535 -2.827 1.00 0.00 C ATOM 409 CD1 PHE A 30 -0.339 4.309 -3.517 1.00 0.00 C ATOM 410 CD2 PHE A 30 0.216 2.250 -2.449 1.00 0.00 C ATOM 411 CE1 PHE A 30 -1.593 3.814 -3.826 1.00 0.00 C ATOM 412 CE2 PHE A 30 -1.035 1.752 -2.754 1.00 0.00 C ATOM 413 CZ PHE A 30 -1.941 2.534 -3.442 1.00 0.00 C ATOM 0 H PHE A 30 3.995 5.239 -1.800 1.00 0.00 H new ATOM 0 HA PHE A 30 1.248 5.922 -1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.375 4.512 -3.400 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.588 3.248 -2.205 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.072 5.312 -3.818 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.920 1.633 -1.910 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.299 4.427 -4.367 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.305 0.750 -2.454 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.920 2.145 -3.680 1.00 0.00 H new ATOM 423 N PHE A 31 2.418 4.066 0.786 1.00 0.00 N ATOM 424 CA PHE A 31 2.023 3.574 2.107 1.00 0.00 C ATOM 425 C PHE A 31 2.004 4.693 3.145 1.00 0.00 C ATOM 426 O PHE A 31 1.023 4.876 3.863 1.00 0.00 O ATOM 427 CB PHE A 31 2.887 2.371 2.574 1.00 0.00 C ATOM 428 CG PHE A 31 4.263 2.638 3.141 1.00 0.00 C ATOM 429 CD1 PHE A 31 4.434 3.179 4.403 1.00 0.00 C ATOM 430 CD2 PHE A 31 5.389 2.280 2.420 1.00 0.00 C ATOM 431 CE1 PHE A 31 5.697 3.374 4.928 1.00 0.00 C ATOM 432 CE2 PHE A 31 6.653 2.462 2.943 1.00 0.00 C ATOM 433 CZ PHE A 31 6.808 3.013 4.197 1.00 0.00 C ATOM 0 H PHE A 31 3.418 4.029 0.588 1.00 0.00 H new ATOM 0 HA PHE A 31 1.002 3.205 2.009 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.318 1.830 3.330 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.005 1.700 1.723 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.567 3.453 4.986 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.277 1.852 1.435 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.813 3.809 5.910 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.521 2.173 2.370 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.797 3.161 4.605 1.00 0.00 H new ATOM 443 N THR A 32 3.074 5.453 3.198 1.00 0.00 N ATOM 444 CA THR A 32 3.310 6.365 4.301 1.00 0.00 C ATOM 445 C THR A 32 2.649 7.724 4.091 1.00 0.00 C ATOM 446 O THR A 32 2.096 8.313 5.018 1.00 0.00 O ATOM 447 CB THR A 32 4.822 6.515 4.500 1.00 0.00 C ATOM 448 OG1 THR A 32 5.108 7.038 5.804 1.00 0.00 O ATOM 449 CG2 THR A 32 5.418 7.421 3.433 1.00 0.00 C ATOM 0 H THR A 32 3.803 5.459 2.484 1.00 0.00 H new ATOM 0 HA THR A 32 2.854 5.945 5.198 1.00 0.00 H new ATOM 0 HB THR A 32 5.275 5.528 4.410 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.078 7.126 5.916 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.492 7.514 3.593 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.234 6.993 2.448 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.956 8.406 3.493 1.00 0.00 H new ATOM 457 N LYS A 33 2.694 8.197 2.862 1.00 0.00 N ATOM 458 CA LYS A 33 2.180 9.501 2.512 1.00 0.00 C ATOM 459 C LYS A 33 0.678 9.409 2.340 1.00 0.00 C ATOM 460 O LYS A 33 -0.059 10.367 2.559 1.00 0.00 O ATOM 461 CB LYS A 33 2.906 9.964 1.252 1.00 0.00 C ATOM 462 CG LYS A 33 2.355 11.214 0.610 1.00 0.00 C ATOM 463 CD LYS A 33 1.240 10.886 -0.360 1.00 0.00 C ATOM 464 CE LYS A 33 0.864 12.116 -1.146 1.00 0.00 C ATOM 465 NZ LYS A 33 0.219 13.146 -0.288 1.00 0.00 N ATOM 0 H LYS A 33 3.091 7.683 2.075 1.00 0.00 H new ATOM 0 HA LYS A 33 2.359 10.240 3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.954 10.134 1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.878 9.157 0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.983 11.888 1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.154 11.739 0.086 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.558 10.094 -1.038 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.372 10.512 0.183 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.756 12.537 -1.610 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.185 11.838 -1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.263 13.845 -0.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.475 12.691 0.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.943 13.623 0.286 1.00 0.00 H new ATOM 479 N VAL A 34 0.245 8.227 1.960 1.00 0.00 N ATOM 480 CA VAL A 34 -1.157 7.886 1.948 1.00 0.00 C ATOM 481 C VAL A 34 -1.686 7.782 3.379 1.00 0.00 C ATOM 482 O VAL A 34 -2.836 8.130 3.667 1.00 0.00 O ATOM 483 CB VAL A 34 -1.350 6.556 1.196 1.00 0.00 C ATOM 484 CG1 VAL A 34 -2.425 5.697 1.827 1.00 0.00 C ATOM 485 CG2 VAL A 34 -1.652 6.814 -0.265 1.00 0.00 C ATOM 0 H VAL A 34 0.859 7.474 1.650 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.719 8.667 1.436 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.415 6.000 1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.527 4.769 1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.150 5.468 2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.373 6.234 1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.786 5.864 -0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.564 7.404 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.824 7.360 -0.717 1.00 0.00 H new ATOM 495 N GLY A 35 -0.816 7.324 4.275 1.00 0.00 N ATOM 496 CA GLY A 35 -1.180 7.181 5.668 1.00 0.00 C ATOM 497 C GLY A 35 -1.712 5.800 5.979 1.00 0.00 C ATOM 498 O GLY A 35 -2.435 5.611 6.957 1.00 0.00 O ATOM 0 H GLY A 35 0.141 7.048 4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.309 7.382 6.292 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.934 7.925 5.923 1.00 0.00 H new ATOM 502 N LEU A 36 -1.350 4.827 5.153 1.00 0.00 N ATOM 503 CA LEU A 36 -1.860 3.477 5.309 1.00 0.00 C ATOM 504 C LEU A 36 -1.038 2.689 6.329 1.00 0.00 C ATOM 505 O LEU A 36 -1.513 1.705 6.890 1.00 0.00 O ATOM 506 CB LEU A 36 -1.856 2.753 3.964 1.00 0.00 C ATOM 507 CG LEU A 36 -2.623 1.434 3.946 1.00 0.00 C ATOM 508 CD1 LEU A 36 -4.118 1.684 4.051 1.00 0.00 C ATOM 509 CD2 LEU A 36 -2.301 0.647 2.691 1.00 0.00 C ATOM 0 H LEU A 36 -0.707 4.950 4.371 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.884 3.545 5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.281 3.415 3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.823 2.561 3.674 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.312 0.845 4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.648 0.732 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.335 2.206 4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.445 2.294 3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.857 -0.290 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.581 1.230 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.232 0.434 2.659 1.00 0.00 H new ATOM 521 N ALA A 37 0.191 3.131 6.579 1.00 0.00 N ATOM 522 CA ALA A 37 1.084 2.428 7.499 1.00 0.00 C ATOM 523 C ALA A 37 0.539 2.438 8.922 1.00 0.00 C ATOM 524 O ALA A 37 0.737 1.486 9.676 1.00 0.00 O ATOM 525 CB ALA A 37 2.474 3.042 7.470 1.00 0.00 C ATOM 0 H ALA A 37 0.592 3.970 6.160 1.00 0.00 H new ATOM 0 HA ALA A 37 1.147 1.392 7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.123 2.505 8.161 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.881 2.973 6.461 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.415 4.089 7.767 1.00 0.00 H new ATOM 531 N ALA A 38 -0.150 3.508 9.285 1.00 0.00 N ATOM 532 CA ALA A 38 -0.705 3.638 10.625 1.00 0.00 C ATOM 533 C ALA A 38 -2.168 3.211 10.659 1.00 0.00 C ATOM 534 O ALA A 38 -2.953 3.697 11.476 1.00 0.00 O ATOM 535 CB ALA A 38 -0.555 5.065 11.121 1.00 0.00 C ATOM 0 H ALA A 38 -0.339 4.300 8.671 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.148 2.976 11.288 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.974 5.148 12.124 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.501 5.332 11.146 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.084 5.741 10.450 1.00 0.00 H new ATOM 541 N LYS A 39 -2.530 2.311 9.761 1.00 0.00 N ATOM 542 CA LYS A 39 -3.886 1.786 9.709 1.00 0.00 C ATOM 543 C LYS A 39 -3.978 0.464 10.451 1.00 0.00 C ATOM 544 O LYS A 39 -3.002 -0.282 10.544 1.00 0.00 O ATOM 545 CB LYS A 39 -4.337 1.607 8.260 1.00 0.00 C ATOM 546 CG LYS A 39 -4.689 2.915 7.566 1.00 0.00 C ATOM 547 CD LYS A 39 -5.811 3.650 8.284 1.00 0.00 C ATOM 548 CE LYS A 39 -6.221 4.913 7.542 1.00 0.00 C ATOM 549 NZ LYS A 39 -5.144 5.940 7.528 1.00 0.00 N ATOM 0 H LYS A 39 -1.902 1.927 9.055 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.546 2.504 10.195 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.545 1.110 7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.205 0.948 8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.806 3.553 7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.987 2.712 6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.673 2.990 8.383 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.489 3.909 9.293 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.489 4.658 6.517 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.112 5.332 8.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.453 6.760 6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.940 6.243 8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.284 5.536 7.104 1.00 0.00 H new ATOM 563 N SER A 40 -5.161 0.194 10.984 1.00 0.00 N ATOM 564 CA SER A 40 -5.414 -1.029 11.722 1.00 0.00 C ATOM 565 C SER A 40 -5.524 -2.218 10.770 1.00 0.00 C ATOM 566 O SER A 40 -5.852 -2.032 9.594 1.00 0.00 O ATOM 567 CB SER A 40 -6.705 -0.884 12.531 1.00 0.00 C ATOM 568 OG SER A 40 -6.696 0.310 13.297 1.00 0.00 O ATOM 0 H SER A 40 -5.967 0.815 10.916 1.00 0.00 H new ATOM 0 HA SER A 40 -4.580 -1.208 12.401 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.562 -0.881 11.857 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.822 -1.743 13.192 1.00 0.00 H new ATOM 0 HG SER A 40 -7.532 0.380 13.803 1.00 0.00 H new ATOM 574 N PRO A 41 -5.230 -3.440 11.248 1.00 0.00 N ATOM 575 CA PRO A 41 -5.298 -4.657 10.431 1.00 0.00 C ATOM 576 C PRO A 41 -6.542 -4.721 9.546 1.00 0.00 C ATOM 577 O PRO A 41 -6.441 -5.007 8.359 1.00 0.00 O ATOM 578 CB PRO A 41 -5.322 -5.766 11.477 1.00 0.00 C ATOM 579 CG PRO A 41 -4.518 -5.220 12.604 1.00 0.00 C ATOM 580 CD PRO A 41 -4.785 -3.736 12.625 1.00 0.00 C ATOM 0 HA PRO A 41 -4.468 -4.721 9.728 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.340 -5.997 11.789 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.890 -6.689 11.090 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.806 -5.682 13.548 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.457 -5.423 12.461 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.550 -3.477 13.357 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.890 -3.172 12.886 1.00 0.00 H new ATOM 588 N ALA A 42 -7.702 -4.421 10.127 1.00 0.00 N ATOM 589 CA ALA A 42 -8.975 -4.483 9.408 1.00 0.00 C ATOM 590 C ALA A 42 -8.991 -3.573 8.179 1.00 0.00 C ATOM 591 O ALA A 42 -9.477 -3.960 7.112 1.00 0.00 O ATOM 592 CB ALA A 42 -10.119 -4.116 10.341 1.00 0.00 C ATOM 0 H ALA A 42 -7.787 -4.130 11.101 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.100 -5.507 9.057 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.062 -4.165 9.797 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.145 -4.815 11.177 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.970 -3.104 10.719 1.00 0.00 H new ATOM 598 N ASP A 43 -8.448 -2.372 8.326 1.00 0.00 N ATOM 599 CA ASP A 43 -8.445 -1.397 7.241 1.00 0.00 C ATOM 600 C ASP A 43 -7.435 -1.794 6.177 1.00 0.00 C ATOM 601 O ASP A 43 -7.681 -1.670 4.980 1.00 0.00 O ATOM 602 CB ASP A 43 -8.131 0.005 7.767 1.00 0.00 C ATOM 603 CG ASP A 43 -9.180 0.508 8.736 1.00 0.00 C ATOM 604 OD1 ASP A 43 -10.377 0.488 8.389 1.00 0.00 O ATOM 605 OD2 ASP A 43 -8.813 0.913 9.860 1.00 0.00 O ATOM 0 H ASP A 43 -8.004 -2.049 9.185 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.440 -1.382 6.797 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.159 -0.005 8.261 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.055 0.696 6.928 1.00 0.00 H new ATOM 610 N ILE A 44 -6.300 -2.289 6.614 1.00 0.00 N ATOM 611 CA ILE A 44 -5.294 -2.764 5.690 1.00 0.00 C ATOM 612 C ILE A 44 -5.743 -4.084 5.043 1.00 0.00 C ATOM 613 O ILE A 44 -5.357 -4.406 3.920 1.00 0.00 O ATOM 614 CB ILE A 44 -3.922 -2.885 6.400 1.00 0.00 C ATOM 615 CG1 ILE A 44 -3.245 -1.512 6.430 1.00 0.00 C ATOM 616 CG2 ILE A 44 -3.023 -3.915 5.739 1.00 0.00 C ATOM 617 CD1 ILE A 44 -1.849 -1.525 7.008 1.00 0.00 C ATOM 0 H ILE A 44 -6.050 -2.373 7.599 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.172 -2.040 4.885 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.095 -3.231 7.419 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.203 -1.117 5.415 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.862 -0.827 7.013 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.073 -3.964 6.271 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.506 -4.892 5.768 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.843 -3.630 4.702 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.440 -0.515 6.993 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.884 -1.888 8.035 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.215 -2.182 6.413 1.00 0.00 H new ATOM 629 N LYS A 45 -6.613 -4.811 5.740 1.00 0.00 N ATOM 630 CA LYS A 45 -7.189 -6.052 5.223 1.00 0.00 C ATOM 631 C LYS A 45 -8.053 -5.780 3.995 1.00 0.00 C ATOM 632 O LYS A 45 -7.977 -6.498 2.994 1.00 0.00 O ATOM 633 CB LYS A 45 -8.030 -6.738 6.305 1.00 0.00 C ATOM 634 CG LYS A 45 -8.567 -8.096 5.889 1.00 0.00 C ATOM 635 CD LYS A 45 -7.454 -9.125 5.772 1.00 0.00 C ATOM 636 CE LYS A 45 -7.953 -10.403 5.127 1.00 0.00 C ATOM 637 NZ LYS A 45 -6.916 -11.467 5.121 1.00 0.00 N ATOM 0 H LYS A 45 -6.938 -4.559 6.674 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.370 -6.710 4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.424 -6.856 7.203 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.867 -6.091 6.567 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.303 -8.436 6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.083 -8.007 4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.635 -8.713 5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.054 -9.346 6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.834 -10.759 5.662 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.264 -10.195 4.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.299 -12.323 4.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.085 -11.139 4.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.637 -11.685 6.099 1.00 0.00 H new ATOM 651 N LYS A 46 -8.875 -4.737 4.057 1.00 0.00 N ATOM 652 CA LYS A 46 -9.707 -4.394 2.915 1.00 0.00 C ATOM 653 C LYS A 46 -8.819 -3.943 1.765 1.00 0.00 C ATOM 654 O LYS A 46 -9.119 -4.196 0.604 1.00 0.00 O ATOM 655 CB LYS A 46 -10.777 -3.342 3.277 1.00 0.00 C ATOM 656 CG LYS A 46 -10.238 -2.020 3.806 1.00 0.00 C ATOM 657 CD LYS A 46 -9.975 -1.007 2.697 1.00 0.00 C ATOM 658 CE LYS A 46 -11.019 0.103 2.683 1.00 0.00 C ATOM 659 NZ LYS A 46 -12.398 -0.414 2.480 1.00 0.00 N ATOM 0 H LYS A 46 -8.981 -4.128 4.868 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.259 -5.279 2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.380 -3.141 2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.444 -3.769 4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.951 -1.599 4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.313 -2.202 4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.984 -0.572 2.830 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.973 -1.516 1.733 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.975 0.651 3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.780 0.812 1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.059 0.384 2.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.430 -0.986 1.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.671 -1.003 3.292 1.00 0.00 H new ATOM 673 N VAL A 47 -7.692 -3.318 2.098 1.00 0.00 N ATOM 674 CA VAL A 47 -6.704 -2.957 1.091 1.00 0.00 C ATOM 675 C VAL A 47 -6.103 -4.208 0.442 1.00 0.00 C ATOM 676 O VAL A 47 -5.775 -4.205 -0.747 1.00 0.00 O ATOM 677 CB VAL A 47 -5.585 -2.079 1.680 1.00 0.00 C ATOM 678 CG1 VAL A 47 -4.545 -1.755 0.622 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.170 -0.802 2.260 1.00 0.00 C ATOM 0 H VAL A 47 -7.443 -3.054 3.051 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.221 -2.377 0.327 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.095 -2.634 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.763 -1.134 1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.107 -2.680 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.018 -1.218 -0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.369 -0.190 2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.682 -0.247 1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.879 -1.052 3.049 1.00 0.00 H new ATOM 689 N PHE A 48 -5.985 -5.282 1.219 1.00 0.00 N ATOM 690 CA PHE A 48 -5.548 -6.573 0.687 1.00 0.00 C ATOM 691 C PHE A 48 -6.502 -7.041 -0.403 1.00 0.00 C ATOM 692 O PHE A 48 -6.115 -7.747 -1.333 1.00 0.00 O ATOM 693 CB PHE A 48 -5.476 -7.634 1.788 1.00 0.00 C ATOM 694 CG PHE A 48 -4.375 -7.430 2.793 1.00 0.00 C ATOM 695 CD1 PHE A 48 -3.408 -6.455 2.612 1.00 0.00 C ATOM 696 CD2 PHE A 48 -4.310 -8.229 3.921 1.00 0.00 C ATOM 697 CE1 PHE A 48 -2.400 -6.283 3.538 1.00 0.00 C ATOM 698 CE2 PHE A 48 -3.305 -8.061 4.850 1.00 0.00 C ATOM 699 CZ PHE A 48 -2.348 -7.088 4.660 1.00 0.00 C ATOM 0 H PHE A 48 -6.186 -5.285 2.219 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.550 -6.439 0.270 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.430 -7.655 2.315 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.347 -8.611 1.323 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.443 -5.823 1.737 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.056 -8.994 4.076 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.652 -5.519 3.386 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.268 -8.692 5.726 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.560 -6.955 5.386 1.00 0.00 H new ATOM 709 N GLU A 49 -7.758 -6.650 -0.270 1.00 0.00 N ATOM 710 CA GLU A 49 -8.753 -6.933 -1.292 1.00 0.00 C ATOM 711 C GLU A 49 -8.648 -5.937 -2.449 1.00 0.00 C ATOM 712 O GLU A 49 -9.150 -6.189 -3.540 1.00 0.00 O ATOM 713 CB GLU A 49 -10.149 -6.888 -0.680 1.00 0.00 C ATOM 714 CG GLU A 49 -10.312 -7.803 0.522 1.00 0.00 C ATOM 715 CD GLU A 49 -11.695 -7.727 1.129 1.00 0.00 C ATOM 716 OE1 GLU A 49 -12.042 -6.673 1.703 1.00 0.00 O ATOM 717 OE2 GLU A 49 -12.440 -8.724 1.045 1.00 0.00 O ATOM 0 H GLU A 49 -8.114 -6.135 0.536 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.568 -7.931 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.373 -5.864 -0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.880 -7.165 -1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.107 -8.831 0.222 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.573 -7.538 1.278 1.00 0.00 H new ATOM 724 N ILE A 50 -8.006 -4.801 -2.199 1.00 0.00 N ATOM 725 CA ILE A 50 -7.792 -3.786 -3.228 1.00 0.00 C ATOM 726 C ILE A 50 -6.881 -4.288 -4.352 1.00 0.00 C ATOM 727 O ILE A 50 -7.196 -4.099 -5.529 1.00 0.00 O ATOM 728 CB ILE A 50 -7.223 -2.485 -2.603 1.00 0.00 C ATOM 729 CG1 ILE A 50 -8.324 -1.648 -1.945 1.00 0.00 C ATOM 730 CG2 ILE A 50 -6.482 -1.645 -3.628 1.00 0.00 C ATOM 731 CD1 ILE A 50 -9.596 -2.397 -1.641 1.00 0.00 C ATOM 0 H ILE A 50 -7.622 -4.558 -1.286 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.763 -3.567 -3.672 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.515 -2.795 -1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.936 -1.229 -1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.561 -0.809 -2.599 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.099 -0.743 -3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.651 -2.220 -4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.163 -1.368 -4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.314 -1.721 -1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.015 -2.793 -2.566 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.380 -3.220 -0.960 1.00 0.00 H new ATOM 743 N ILE A 51 -5.762 -4.934 -4.003 1.00 0.00 N ATOM 744 CA ILE A 51 -4.887 -5.513 -5.031 1.00 0.00 C ATOM 745 C ILE A 51 -5.632 -6.622 -5.749 1.00 0.00 C ATOM 746 O ILE A 51 -5.444 -6.840 -6.945 1.00 0.00 O ATOM 747 CB ILE A 51 -3.501 -6.042 -4.509 1.00 0.00 C ATOM 748 CG1 ILE A 51 -3.623 -6.722 -3.127 1.00 0.00 C ATOM 749 CG2 ILE A 51 -2.495 -4.904 -4.460 1.00 0.00 C ATOM 750 CD1 ILE A 51 -3.622 -5.758 -1.954 1.00 0.00 C ATOM 0 H ILE A 51 -5.446 -5.068 -3.042 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.638 -4.696 -5.708 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.150 -6.801 -5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.544 -7.305 -3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.798 -7.424 -3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.538 -5.280 -4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.367 -4.489 -5.460 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.858 -4.126 -3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.711 -6.318 -1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.691 -5.192 -1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.464 -5.071 -2.047 1.00 0.00 H new ATOM 762 N ASP A 52 -6.515 -7.300 -5.021 1.00 0.00 N ATOM 763 CA ASP A 52 -7.325 -8.350 -5.612 1.00 0.00 C ATOM 764 C ASP A 52 -8.573 -7.747 -6.254 1.00 0.00 C ATOM 765 O ASP A 52 -9.684 -7.964 -5.769 1.00 0.00 O ATOM 766 CB ASP A 52 -7.763 -9.383 -4.569 1.00 0.00 C ATOM 767 CG ASP A 52 -8.177 -10.704 -5.199 1.00 0.00 C ATOM 768 OD1 ASP A 52 -7.744 -11.003 -6.341 1.00 0.00 O ATOM 769 OD2 ASP A 52 -8.948 -11.446 -4.567 1.00 0.00 O ATOM 0 H ASP A 52 -6.684 -7.140 -4.028 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.712 -8.849 -6.363 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.946 -9.558 -3.869 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.596 -8.982 -3.992 1.00 0.00 H new ATOM 774 N GLN A 53 -8.385 -6.975 -7.323 1.00 0.00 N ATOM 775 CA GLN A 53 -9.499 -6.331 -8.027 1.00 0.00 C ATOM 776 C GLN A 53 -10.618 -7.330 -8.313 1.00 0.00 C ATOM 777 O GLN A 53 -11.793 -7.064 -8.058 1.00 0.00 O ATOM 778 CB GLN A 53 -9.017 -5.729 -9.350 1.00 0.00 C ATOM 779 CG GLN A 53 -10.120 -5.043 -10.141 1.00 0.00 C ATOM 780 CD GLN A 53 -9.735 -4.801 -11.584 1.00 0.00 C ATOM 781 OE1 GLN A 53 -8.561 -4.639 -11.907 1.00 0.00 O ATOM 782 NE2 GLN A 53 -10.724 -4.784 -12.465 1.00 0.00 N ATOM 0 H GLN A 53 -7.468 -6.778 -7.724 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.884 -5.541 -7.382 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.225 -5.008 -9.145 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.579 -6.518 -9.961 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.021 -5.655 -10.107 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.363 -4.091 -9.669 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.686 -4.923 -12.155 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.524 -4.632 -13.454 1.00 0.00 H new ATOM 791 N ASP A 54 -10.227 -8.488 -8.820 1.00 0.00 N ATOM 792 CA ASP A 54 -11.173 -9.536 -9.210 1.00 0.00 C ATOM 793 C ASP A 54 -11.818 -10.204 -7.998 1.00 0.00 C ATOM 794 O ASP A 54 -12.864 -10.845 -8.131 1.00 0.00 O ATOM 795 CB ASP A 54 -10.473 -10.611 -10.046 1.00 0.00 C ATOM 796 CG ASP A 54 -9.931 -10.088 -11.359 1.00 0.00 C ATOM 797 OD1 ASP A 54 -10.696 -10.044 -12.345 1.00 0.00 O ATOM 798 OD2 ASP A 54 -8.737 -9.734 -11.421 1.00 0.00 O ATOM 0 H ASP A 54 -9.249 -8.733 -8.975 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.952 -9.051 -9.798 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.654 -11.037 -9.466 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.175 -11.420 -10.247 1.00 0.00 H new ATOM 803 N LYS A 55 -11.199 -10.059 -6.825 1.00 0.00 N ATOM 804 CA LYS A 55 -11.709 -10.675 -5.595 1.00 0.00 C ATOM 805 C LYS A 55 -11.875 -12.190 -5.743 1.00 0.00 C ATOM 806 O LYS A 55 -12.990 -12.717 -5.697 1.00 0.00 O ATOM 807 CB LYS A 55 -13.031 -10.029 -5.171 1.00 0.00 C ATOM 808 CG LYS A 55 -12.870 -8.807 -4.278 1.00 0.00 C ATOM 809 CD LYS A 55 -12.242 -9.157 -2.933 1.00 0.00 C ATOM 810 CE LYS A 55 -13.072 -10.179 -2.166 1.00 0.00 C ATOM 811 NZ LYS A 55 -12.440 -10.551 -0.872 1.00 0.00 N ATOM 0 H LYS A 55 -10.342 -9.520 -6.699 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.969 -10.500 -4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.585 -9.742 -6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.634 -10.771 -4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.251 -8.067 -4.785 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.845 -8.348 -4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.238 -9.551 -3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.138 -8.252 -2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.066 -9.773 -1.980 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.202 -11.073 -2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.036 -11.248 -0.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.501 -10.962 -1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.340 -9.703 -0.278 1.00 0.00 H new ATOM 825 N SER A 56 -10.760 -12.877 -5.940 1.00 0.00 N ATOM 826 CA SER A 56 -10.760 -14.325 -6.098 1.00 0.00 C ATOM 827 C SER A 56 -9.724 -14.971 -5.178 1.00 0.00 C ATOM 828 O SER A 56 -9.418 -16.157 -5.310 1.00 0.00 O ATOM 829 CB SER A 56 -10.476 -14.683 -7.556 1.00 0.00 C ATOM 830 OG SER A 56 -9.318 -14.012 -8.026 1.00 0.00 O ATOM 0 H SER A 56 -9.835 -12.451 -5.995 1.00 0.00 H new ATOM 0 HA SER A 56 -11.742 -14.708 -5.821 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.340 -15.760 -7.650 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.333 -14.414 -8.174 1.00 0.00 H new ATOM 0 HG SER A 56 -9.154 -14.257 -8.961 1.00 0.00 H new ATOM 836 N ASP A 57 -9.180 -14.159 -4.264 1.00 0.00 N ATOM 837 CA ASP A 57 -8.170 -14.590 -3.283 1.00 0.00 C ATOM 838 C ASP A 57 -6.808 -14.802 -3.935 1.00 0.00 C ATOM 839 O ASP A 57 -5.831 -15.142 -3.265 1.00 0.00 O ATOM 840 CB ASP A 57 -8.599 -15.855 -2.526 1.00 0.00 C ATOM 841 CG ASP A 57 -9.754 -15.605 -1.576 1.00 0.00 C ATOM 842 OD1 ASP A 57 -9.535 -14.986 -0.511 1.00 0.00 O ATOM 843 OD2 ASP A 57 -10.887 -16.032 -1.886 1.00 0.00 O ATOM 0 H ASP A 57 -9.429 -13.173 -4.182 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.083 -13.781 -2.558 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.884 -16.624 -3.244 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.749 -16.243 -1.964 1.00 0.00 H new ATOM 848 N PHE A 58 -6.745 -14.598 -5.243 1.00 0.00 N ATOM 849 CA PHE A 58 -5.488 -14.642 -5.973 1.00 0.00 C ATOM 850 C PHE A 58 -5.235 -13.283 -6.604 1.00 0.00 C ATOM 851 O PHE A 58 -6.072 -12.775 -7.352 1.00 0.00 O ATOM 852 CB PHE A 58 -5.518 -15.731 -7.049 1.00 0.00 C ATOM 853 CG PHE A 58 -5.645 -17.126 -6.500 1.00 0.00 C ATOM 854 CD1 PHE A 58 -4.540 -17.785 -5.985 1.00 0.00 C ATOM 855 CD2 PHE A 58 -6.868 -17.776 -6.499 1.00 0.00 C ATOM 856 CE1 PHE A 58 -4.653 -19.066 -5.481 1.00 0.00 C ATOM 857 CE2 PHE A 58 -6.987 -19.058 -5.996 1.00 0.00 C ATOM 858 CZ PHE A 58 -5.877 -19.704 -5.486 1.00 0.00 C ATOM 0 H PHE A 58 -7.559 -14.399 -5.824 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.681 -14.882 -5.280 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.352 -15.539 -7.723 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.607 -15.666 -7.643 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.579 -17.291 -5.978 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.739 -17.275 -6.896 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.784 -19.568 -5.083 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.946 -19.554 -6.002 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.967 -20.706 -5.092 1.00 0.00 H new ATOM 868 N VAL A 59 -4.107 -12.675 -6.286 1.00 0.00 N ATOM 869 CA VAL A 59 -3.840 -11.312 -6.708 1.00 0.00 C ATOM 870 C VAL A 59 -2.652 -11.247 -7.668 1.00 0.00 C ATOM 871 O VAL A 59 -1.508 -11.167 -7.239 1.00 0.00 O ATOM 872 CB VAL A 59 -3.576 -10.429 -5.484 1.00 0.00 C ATOM 873 CG1 VAL A 59 -3.543 -8.983 -5.861 1.00 0.00 C ATOM 874 CG2 VAL A 59 -4.604 -10.683 -4.394 1.00 0.00 C ATOM 0 H VAL A 59 -3.361 -13.103 -5.737 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.719 -10.944 -7.238 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.596 -10.695 -5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.354 -8.380 -4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.750 -8.815 -6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.501 -8.698 -6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.392 -10.043 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.601 -10.461 -4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.558 -11.728 -4.086 1.00 0.00 H new ATOM 884 N GLU A 60 -2.942 -11.265 -8.966 1.00 0.00 N ATOM 885 CA GLU A 60 -1.903 -11.360 -9.993 1.00 0.00 C ATOM 886 C GLU A 60 -1.436 -9.992 -10.499 1.00 0.00 C ATOM 887 O GLU A 60 -1.943 -8.956 -10.074 1.00 0.00 O ATOM 888 CB GLU A 60 -2.410 -12.194 -11.165 1.00 0.00 C ATOM 889 CG GLU A 60 -2.597 -13.660 -10.829 1.00 0.00 C ATOM 890 CD GLU A 60 -1.287 -14.356 -10.527 1.00 0.00 C ATOM 891 OE1 GLU A 60 -0.289 -14.091 -11.232 1.00 0.00 O ATOM 892 OE2 GLU A 60 -1.259 -15.196 -9.605 1.00 0.00 O ATOM 0 H GLU A 60 -3.892 -11.215 -9.335 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.042 -11.841 -9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.360 -11.784 -11.508 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.707 -12.106 -11.994 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.260 -13.751 -9.969 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.087 -14.161 -11.663 1.00 0.00 H new ATOM 899 N GLU A 61 -0.489 -10.004 -11.436 1.00 0.00 N ATOM 900 CA GLU A 61 0.077 -8.773 -11.988 1.00 0.00 C ATOM 901 C GLU A 61 -0.939 -8.031 -12.848 1.00 0.00 C ATOM 902 O GLU A 61 -1.119 -6.818 -12.711 1.00 0.00 O ATOM 903 CB GLU A 61 1.307 -9.084 -12.835 1.00 0.00 C ATOM 904 CG GLU A 61 1.900 -7.853 -13.498 1.00 0.00 C ATOM 905 CD GLU A 61 2.819 -8.193 -14.644 1.00 0.00 C ATOM 906 OE1 GLU A 61 3.893 -8.780 -14.403 1.00 0.00 O ATOM 907 OE2 GLU A 61 2.471 -7.863 -15.796 1.00 0.00 O ATOM 0 H GLU A 61 -0.095 -10.858 -11.831 1.00 0.00 H new ATOM 0 HA GLU A 61 0.357 -8.140 -11.146 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.065 -9.552 -12.206 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.038 -9.809 -13.603 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.093 -7.217 -13.862 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.451 -7.276 -12.755 1.00 0.00 H new ATOM 914 N ASP A 62 -1.598 -8.765 -13.738 1.00 0.00 N ATOM 915 CA ASP A 62 -2.583 -8.178 -14.646 1.00 0.00 C ATOM 916 C ASP A 62 -3.732 -7.581 -13.852 1.00 0.00 C ATOM 917 O ASP A 62 -4.467 -6.720 -14.333 1.00 0.00 O ATOM 918 CB ASP A 62 -3.120 -9.228 -15.620 1.00 0.00 C ATOM 919 CG ASP A 62 -2.033 -9.843 -16.476 1.00 0.00 C ATOM 920 OD1 ASP A 62 -1.532 -9.163 -17.394 1.00 0.00 O ATOM 921 OD2 ASP A 62 -1.671 -11.011 -16.233 1.00 0.00 O ATOM 0 H ASP A 62 -1.469 -9.770 -13.852 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.092 -7.392 -15.219 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.623 -10.015 -15.058 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.869 -8.769 -16.266 1.00 0.00 H new ATOM 926 N GLU A 63 -3.864 -8.052 -12.628 1.00 0.00 N ATOM 927 CA GLU A 63 -4.869 -7.562 -11.712 1.00 0.00 C ATOM 928 C GLU A 63 -4.401 -6.262 -11.071 1.00 0.00 C ATOM 929 O GLU A 63 -5.163 -5.301 -10.965 1.00 0.00 O ATOM 930 CB GLU A 63 -5.126 -8.621 -10.654 1.00 0.00 C ATOM 931 CG GLU A 63 -6.261 -8.293 -9.716 1.00 0.00 C ATOM 932 CD GLU A 63 -6.648 -9.487 -8.891 1.00 0.00 C ATOM 933 OE1 GLU A 63 -5.785 -10.299 -8.534 1.00 0.00 O ATOM 934 OE2 GLU A 63 -7.830 -9.674 -8.587 1.00 0.00 O ATOM 0 H GLU A 63 -3.274 -8.788 -12.241 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.795 -7.359 -12.250 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.340 -9.569 -11.148 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.217 -8.764 -10.070 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.968 -7.474 -9.059 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.122 -7.950 -10.289 1.00 0.00 H new ATOM 941 N LEU A 64 -3.132 -6.233 -10.666 1.00 0.00 N ATOM 942 CA LEU A 64 -2.523 -5.028 -10.120 1.00 0.00 C ATOM 943 C LEU A 64 -2.499 -3.903 -11.140 1.00 0.00 C ATOM 944 O LEU A 64 -2.306 -2.743 -10.792 1.00 0.00 O ATOM 945 CB LEU A 64 -1.119 -5.292 -9.606 1.00 0.00 C ATOM 946 CG LEU A 64 -1.047 -5.473 -8.097 1.00 0.00 C ATOM 947 CD1 LEU A 64 -1.123 -6.941 -7.720 1.00 0.00 C ATOM 948 CD2 LEU A 64 0.201 -4.813 -7.552 1.00 0.00 C ATOM 0 H LEU A 64 -2.505 -7.037 -10.708 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.144 -4.719 -9.279 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.726 -6.186 -10.090 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.473 -4.463 -9.895 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.909 -4.984 -7.643 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.069 -7.042 -6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.064 -7.360 -8.077 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.291 -7.477 -8.176 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.242 -4.949 -6.471 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.081 -5.266 -8.008 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.180 -3.748 -7.783 1.00 0.00 H new ATOM 960 N LYS A 65 -2.659 -4.255 -12.401 1.00 0.00 N ATOM 961 CA LYS A 65 -2.742 -3.262 -13.452 1.00 0.00 C ATOM 962 C LYS A 65 -3.848 -2.248 -13.155 1.00 0.00 C ATOM 963 O LYS A 65 -3.600 -1.046 -13.117 1.00 0.00 O ATOM 964 CB LYS A 65 -2.985 -3.939 -14.803 1.00 0.00 C ATOM 965 CG LYS A 65 -1.801 -3.888 -15.763 1.00 0.00 C ATOM 966 CD LYS A 65 -0.512 -4.404 -15.139 1.00 0.00 C ATOM 967 CE LYS A 65 0.567 -4.591 -16.199 1.00 0.00 C ATOM 968 NZ LYS A 65 1.857 -5.071 -15.631 1.00 0.00 N ATOM 0 H LYS A 65 -2.734 -5.220 -12.721 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.793 -2.727 -13.495 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.250 -4.982 -14.629 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.844 -3.468 -15.281 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.032 -4.479 -16.649 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.652 -2.860 -16.095 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.164 -3.703 -14.380 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.701 -5.352 -14.635 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.217 -5.304 -16.946 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.732 -3.645 -16.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.623 -4.894 -16.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.056 -4.564 -14.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.794 -6.091 -15.439 1.00 0.00 H new ATOM 982 N LEU A 66 -5.070 -2.729 -12.951 1.00 0.00 N ATOM 983 CA LEU A 66 -6.193 -1.836 -12.675 1.00 0.00 C ATOM 984 C LEU A 66 -6.579 -1.805 -11.204 1.00 0.00 C ATOM 985 O LEU A 66 -7.561 -1.156 -10.841 1.00 0.00 O ATOM 986 CB LEU A 66 -7.415 -2.186 -13.530 1.00 0.00 C ATOM 987 CG LEU A 66 -7.240 -1.959 -15.030 1.00 0.00 C ATOM 988 CD1 LEU A 66 -6.364 -0.742 -15.280 1.00 0.00 C ATOM 989 CD2 LEU A 66 -6.664 -3.194 -15.699 1.00 0.00 C ATOM 0 H LEU A 66 -5.308 -3.721 -12.971 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.848 -0.837 -12.943 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.668 -3.233 -13.363 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.263 -1.594 -13.185 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.220 -1.771 -15.469 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.248 -0.592 -16.353 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.830 0.139 -14.839 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.385 -0.899 -14.827 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.548 -3.009 -16.767 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.692 -3.424 -15.263 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.338 -4.037 -15.548 1.00 0.00 H new ATOM 1001 N PHE A 67 -5.816 -2.484 -10.350 1.00 0.00 N ATOM 1002 CA PHE A 67 -6.165 -2.541 -8.928 1.00 0.00 C ATOM 1003 C PHE A 67 -6.182 -1.129 -8.335 1.00 0.00 C ATOM 1004 O PHE A 67 -6.936 -0.837 -7.408 1.00 0.00 O ATOM 1005 CB PHE A 67 -5.193 -3.437 -8.141 1.00 0.00 C ATOM 1006 CG PHE A 67 -4.094 -2.702 -7.404 1.00 0.00 C ATOM 1007 CD1 PHE A 67 -4.292 -2.278 -6.103 1.00 0.00 C ATOM 1008 CD2 PHE A 67 -2.875 -2.442 -8.002 1.00 0.00 C ATOM 1009 CE1 PHE A 67 -3.299 -1.609 -5.412 1.00 0.00 C ATOM 1010 CE2 PHE A 67 -1.877 -1.774 -7.319 1.00 0.00 C ATOM 1011 CZ PHE A 67 -2.089 -1.356 -6.021 1.00 0.00 C ATOM 0 H PHE A 67 -4.970 -2.993 -10.607 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.160 -2.979 -8.845 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.765 -4.021 -7.420 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.735 -4.144 -8.832 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.238 -2.473 -5.619 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.700 -2.766 -9.017 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.471 -1.285 -4.396 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.930 -1.579 -7.801 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.311 -0.833 -5.485 1.00 0.00 H new ATOM 1021 N LEU A 68 -5.351 -0.254 -8.894 1.00 0.00 N ATOM 1022 CA LEU A 68 -5.244 1.116 -8.409 1.00 0.00 C ATOM 1023 C LEU A 68 -6.489 1.903 -8.778 1.00 0.00 C ATOM 1024 O LEU A 68 -6.959 2.740 -8.011 1.00 0.00 O ATOM 1025 CB LEU A 68 -4.010 1.809 -8.990 1.00 0.00 C ATOM 1026 CG LEU A 68 -2.776 0.924 -9.139 1.00 0.00 C ATOM 1027 CD1 LEU A 68 -2.654 0.425 -10.574 1.00 0.00 C ATOM 1028 CD2 LEU A 68 -1.525 1.678 -8.717 1.00 0.00 C ATOM 0 H LEU A 68 -4.742 -0.471 -9.683 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.145 1.081 -7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.268 2.213 -9.969 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.755 2.656 -8.353 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.885 0.059 -8.485 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.769 -0.205 -10.666 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.540 -0.153 -10.835 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.565 1.276 -11.249 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.655 1.031 -8.830 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.404 2.562 -9.344 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.618 1.982 -7.674 1.00 0.00 H new ATOM 1040 N GLN A 69 -7.030 1.610 -9.952 1.00 0.00 N ATOM 1041 CA GLN A 69 -8.245 2.259 -10.418 1.00 0.00 C ATOM 1042 C GLN A 69 -9.448 1.645 -9.715 1.00 0.00 C ATOM 1043 O GLN A 69 -10.568 2.149 -9.799 1.00 0.00 O ATOM 1044 CB GLN A 69 -8.372 2.124 -11.937 1.00 0.00 C ATOM 1045 CG GLN A 69 -7.180 2.702 -12.690 1.00 0.00 C ATOM 1046 CD GLN A 69 -7.361 2.674 -14.193 1.00 0.00 C ATOM 1047 OE1 GLN A 69 -8.478 2.754 -14.701 1.00 0.00 O ATOM 1048 NE2 GLN A 69 -6.259 2.567 -14.918 1.00 0.00 N ATOM 0 H GLN A 69 -6.644 0.924 -10.601 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.202 3.322 -10.179 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.481 1.070 -12.194 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.281 2.628 -12.266 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -7.018 3.731 -12.368 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.284 2.140 -12.427 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.351 2.503 -14.459 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.318 2.549 -15.936 1.00 0.00 H new ATOM 1057 N ASN A 70 -9.190 0.547 -9.020 1.00 0.00 N ATOM 1058 CA ASN A 70 -10.182 -0.093 -8.171 1.00 0.00 C ATOM 1059 C ASN A 70 -10.142 0.551 -6.791 1.00 0.00 C ATOM 1060 O ASN A 70 -11.128 0.568 -6.057 1.00 0.00 O ATOM 1061 CB ASN A 70 -9.884 -1.592 -8.062 1.00 0.00 C ATOM 1062 CG ASN A 70 -10.922 -2.355 -7.259 1.00 0.00 C ATOM 1063 OD1 ASN A 70 -12.111 -2.035 -7.292 1.00 0.00 O ATOM 1064 ND2 ASN A 70 -10.477 -3.364 -6.525 1.00 0.00 N ATOM 0 H ASN A 70 -8.286 0.075 -9.029 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.175 0.034 -8.603 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.826 -2.017 -9.064 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.906 -1.728 -7.600 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.128 -3.909 -5.959 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.484 -3.596 -6.526 1.00 0.00 H new ATOM 1071 N PHE A 71 -8.978 1.091 -6.460 1.00 0.00 N ATOM 1072 CA PHE A 71 -8.752 1.740 -5.178 1.00 0.00 C ATOM 1073 C PHE A 71 -9.251 3.182 -5.222 1.00 0.00 C ATOM 1074 O PHE A 71 -10.034 3.606 -4.371 1.00 0.00 O ATOM 1075 CB PHE A 71 -7.255 1.693 -4.849 1.00 0.00 C ATOM 1076 CG PHE A 71 -6.902 2.074 -3.437 1.00 0.00 C ATOM 1077 CD1 PHE A 71 -7.705 1.697 -2.371 1.00 0.00 C ATOM 1078 CD2 PHE A 71 -5.749 2.794 -3.177 1.00 0.00 C ATOM 1079 CE1 PHE A 71 -7.365 2.034 -1.077 1.00 0.00 C ATOM 1080 CE2 PHE A 71 -5.401 3.132 -1.883 1.00 0.00 C ATOM 1081 CZ PHE A 71 -6.210 2.751 -0.832 1.00 0.00 C ATOM 0 H PHE A 71 -8.163 1.091 -7.074 1.00 0.00 H new ATOM 0 HA PHE A 71 -9.305 1.216 -4.399 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.888 0.685 -5.040 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.727 2.359 -5.532 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.607 1.133 -2.556 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.113 3.096 -3.996 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -8.001 1.737 -0.256 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.498 3.693 -1.695 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.941 3.013 0.181 1.00 0.00 H new ATOM 1091 N SER A 72 -8.807 3.923 -6.228 1.00 0.00 N ATOM 1092 CA SER A 72 -9.213 5.312 -6.401 1.00 0.00 C ATOM 1093 C SER A 72 -9.401 5.627 -7.882 1.00 0.00 C ATOM 1094 O SER A 72 -9.095 4.796 -8.737 1.00 0.00 O ATOM 1095 CB SER A 72 -8.178 6.248 -5.774 1.00 0.00 C ATOM 1096 OG SER A 72 -8.056 6.004 -4.382 1.00 0.00 O ATOM 0 H SER A 72 -8.162 3.583 -6.941 1.00 0.00 H new ATOM 0 HA SER A 72 -10.166 5.466 -5.895 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.212 6.106 -6.259 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.470 7.285 -5.942 1.00 0.00 H new ATOM 0 HG SER A 72 -8.791 6.445 -3.907 1.00 0.00 H new ATOM 1102 N ALA A 73 -9.898 6.819 -8.191 1.00 0.00 N ATOM 1103 CA ALA A 73 -10.213 7.164 -9.574 1.00 0.00 C ATOM 1104 C ALA A 73 -9.010 7.748 -10.309 1.00 0.00 C ATOM 1105 O ALA A 73 -8.712 7.355 -11.439 1.00 0.00 O ATOM 1106 CB ALA A 73 -11.378 8.138 -9.621 1.00 0.00 C ATOM 0 H ALA A 73 -10.090 7.556 -7.512 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.491 6.241 -10.083 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.602 8.387 -10.658 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.253 7.681 -9.160 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.115 9.046 -9.079 1.00 0.00 H new ATOM 1112 N GLY A 74 -8.299 8.660 -9.659 1.00 0.00 N ATOM 1113 CA GLY A 74 -7.185 9.335 -10.307 1.00 0.00 C ATOM 1114 C GLY A 74 -5.898 8.547 -10.208 1.00 0.00 C ATOM 1115 O GLY A 74 -4.856 9.083 -9.833 1.00 0.00 O ATOM 0 H GLY A 74 -8.471 8.946 -8.695 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.426 9.502 -11.357 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.044 10.316 -9.852 1.00 0.00 H new ATOM 1119 N ALA A 75 -5.965 7.275 -10.555 1.00 0.00 N ATOM 1120 CA ALA A 75 -4.819 6.399 -10.428 1.00 0.00 C ATOM 1121 C ALA A 75 -4.177 6.126 -11.775 1.00 0.00 C ATOM 1122 O ALA A 75 -4.784 6.343 -12.824 1.00 0.00 O ATOM 1123 CB ALA A 75 -5.224 5.096 -9.765 1.00 0.00 C ATOM 0 H ALA A 75 -6.802 6.827 -10.927 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.082 6.903 -9.803 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.353 4.447 -9.676 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.626 5.302 -8.773 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.985 4.601 -10.369 1.00 0.00 H new ATOM 1129 N ARG A 76 -2.941 5.661 -11.730 1.00 0.00 N ATOM 1130 CA ARG A 76 -2.202 5.300 -12.920 1.00 0.00 C ATOM 1131 C ARG A 76 -2.038 3.787 -12.950 1.00 0.00 C ATOM 1132 O ARG A 76 -1.679 3.192 -11.936 1.00 0.00 O ATOM 1133 CB ARG A 76 -0.819 5.964 -12.908 1.00 0.00 C ATOM 1134 CG ARG A 76 -0.830 7.430 -12.484 1.00 0.00 C ATOM 1135 CD ARG A 76 -1.454 8.328 -13.540 1.00 0.00 C ATOM 1136 NE ARG A 76 -0.667 8.338 -14.773 1.00 0.00 N ATOM 1137 CZ ARG A 76 -0.942 9.094 -15.833 1.00 0.00 C ATOM 1138 NH1 ARG A 76 -2.002 9.887 -15.838 1.00 0.00 N ATOM 1139 NH2 ARG A 76 -0.153 9.051 -16.895 1.00 0.00 N ATOM 0 H ARG A 76 -2.423 5.524 -10.862 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.744 5.639 -13.803 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.168 5.408 -12.234 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.384 5.889 -13.905 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.382 7.532 -11.550 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.191 7.758 -12.288 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.466 7.986 -13.757 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.536 9.343 -13.152 1.00 0.00 H new ATOM 0 HE ARG A 76 0.147 7.725 -14.824 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.616 9.922 -15.025 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.204 10.463 -16.655 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.663 8.439 -16.899 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.361 9.629 -17.709 1.00 0.00 H new ATOM 1153 N ALA A 77 -2.317 3.161 -14.085 1.00 0.00 N ATOM 1154 CA ALA A 77 -2.146 1.720 -14.201 1.00 0.00 C ATOM 1155 C ALA A 77 -0.669 1.373 -14.273 1.00 0.00 C ATOM 1156 O ALA A 77 0.023 1.760 -15.217 1.00 0.00 O ATOM 1157 CB ALA A 77 -2.868 1.180 -15.424 1.00 0.00 C ATOM 0 H ALA A 77 -2.659 3.621 -14.929 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.581 1.255 -13.316 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.723 0.101 -15.485 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.933 1.399 -15.344 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.467 1.652 -16.321 1.00 0.00 H new ATOM 1163 N LEU A 78 -0.196 0.634 -13.281 1.00 0.00 N ATOM 1164 CA LEU A 78 1.208 0.270 -13.204 1.00 0.00 C ATOM 1165 C LEU A 78 1.595 -0.599 -14.384 1.00 0.00 C ATOM 1166 O LEU A 78 1.025 -1.669 -14.593 1.00 0.00 O ATOM 1167 CB LEU A 78 1.506 -0.465 -11.898 1.00 0.00 C ATOM 1168 CG LEU A 78 1.220 0.329 -10.625 1.00 0.00 C ATOM 1169 CD1 LEU A 78 1.739 -0.417 -9.410 1.00 0.00 C ATOM 1170 CD2 LEU A 78 1.836 1.716 -10.704 1.00 0.00 C ATOM 0 H LEU A 78 -0.767 0.274 -12.516 1.00 0.00 H new ATOM 0 HA LEU A 78 1.797 1.187 -13.230 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.919 -1.383 -11.874 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.556 -0.758 -11.896 1.00 0.00 H new ATOM 0 HG LEU A 78 0.140 0.443 -10.527 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.528 0.161 -8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.247 -1.387 -9.341 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.815 -0.562 -9.504 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.619 2.263 -9.786 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.915 1.628 -10.828 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.416 2.253 -11.554 1.00 0.00 H new ATOM 1182 N SER A 79 2.559 -0.135 -15.155 1.00 0.00 N ATOM 1183 CA SER A 79 2.988 -0.847 -16.339 1.00 0.00 C ATOM 1184 C SER A 79 4.491 -1.120 -16.297 1.00 0.00 C ATOM 1185 O SER A 79 5.278 -0.239 -15.955 1.00 0.00 O ATOM 1186 CB SER A 79 2.621 -0.025 -17.573 1.00 0.00 C ATOM 1187 OG SER A 79 1.279 0.440 -17.484 1.00 0.00 O ATOM 0 H SER A 79 3.061 0.736 -14.980 1.00 0.00 H new ATOM 0 HA SER A 79 2.482 -1.812 -16.382 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.300 0.823 -17.667 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.743 -0.632 -18.470 1.00 0.00 H new ATOM 0 HG SER A 79 1.173 0.981 -16.674 1.00 0.00 H new ATOM 1193 N ASP A 80 4.871 -2.353 -16.619 1.00 0.00 N ATOM 1194 CA ASP A 80 6.276 -2.748 -16.726 1.00 0.00 C ATOM 1195 C ASP A 80 6.991 -2.662 -15.387 1.00 0.00 C ATOM 1196 O ASP A 80 6.664 -3.402 -14.455 1.00 0.00 O ATOM 1197 CB ASP A 80 7.009 -1.906 -17.780 1.00 0.00 C ATOM 1198 CG ASP A 80 6.411 -2.051 -19.164 1.00 0.00 C ATOM 1199 OD1 ASP A 80 6.758 -3.021 -19.869 1.00 0.00 O ATOM 1200 OD2 ASP A 80 5.588 -1.192 -19.558 1.00 0.00 O ATOM 0 H ASP A 80 4.214 -3.109 -16.814 1.00 0.00 H new ATOM 0 HA ASP A 80 6.291 -3.790 -17.044 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.981 -0.857 -17.485 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.058 -2.201 -17.809 1.00 0.00 H new ATOM 1205 N ALA A 81 7.941 -1.744 -15.280 1.00 0.00 N ATOM 1206 CA ALA A 81 8.801 -1.684 -14.114 1.00 0.00 C ATOM 1207 C ALA A 81 8.031 -1.249 -12.873 1.00 0.00 C ATOM 1208 O ALA A 81 8.396 -1.593 -11.752 1.00 0.00 O ATOM 1209 CB ALA A 81 9.981 -0.758 -14.365 1.00 0.00 C ATOM 0 H ALA A 81 8.133 -1.034 -15.986 1.00 0.00 H new ATOM 0 HA ALA A 81 9.181 -2.689 -13.932 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.614 -0.727 -13.478 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.560 -1.128 -15.211 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.616 0.245 -14.586 1.00 0.00 H new ATOM 1215 N GLU A 82 6.952 -0.509 -13.090 1.00 0.00 N ATOM 1216 CA GLU A 82 6.111 -0.032 -11.999 1.00 0.00 C ATOM 1217 C GLU A 82 5.482 -1.211 -11.303 1.00 0.00 C ATOM 1218 O GLU A 82 5.578 -1.344 -10.094 1.00 0.00 O ATOM 1219 CB GLU A 82 5.023 0.906 -12.528 1.00 0.00 C ATOM 1220 CG GLU A 82 5.496 1.766 -13.681 1.00 0.00 C ATOM 1221 CD GLU A 82 4.467 2.766 -14.154 1.00 0.00 C ATOM 1222 OE1 GLU A 82 3.480 2.350 -14.794 1.00 0.00 O ATOM 1223 OE2 GLU A 82 4.653 3.973 -13.906 1.00 0.00 O ATOM 0 H GLU A 82 6.637 -0.224 -14.017 1.00 0.00 H new ATOM 0 HA GLU A 82 6.727 0.524 -11.292 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.166 0.315 -12.850 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.680 1.550 -11.718 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.397 2.300 -13.379 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.773 1.121 -14.515 1.00 0.00 H new ATOM 1230 N THR A 83 4.868 -2.081 -12.080 1.00 0.00 N ATOM 1231 CA THR A 83 4.273 -3.283 -11.528 1.00 0.00 C ATOM 1232 C THR A 83 5.358 -4.211 -10.989 1.00 0.00 C ATOM 1233 O THR A 83 5.225 -4.763 -9.906 1.00 0.00 O ATOM 1234 CB THR A 83 3.449 -4.047 -12.578 1.00 0.00 C ATOM 1235 OG1 THR A 83 3.076 -3.173 -13.652 1.00 0.00 O ATOM 1236 CG2 THR A 83 2.196 -4.631 -11.948 1.00 0.00 C ATOM 0 H THR A 83 4.768 -1.980 -13.090 1.00 0.00 H new ATOM 0 HA THR A 83 3.609 -2.970 -10.722 1.00 0.00 H new ATOM 0 HB THR A 83 4.065 -4.857 -12.969 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.116 -2.982 -13.600 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.625 -5.168 -12.705 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.476 -5.318 -11.150 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.587 -3.826 -11.537 1.00 0.00 H new ATOM 1244 N LYS A 84 6.439 -4.350 -11.752 1.00 0.00 N ATOM 1245 CA LYS A 84 7.535 -5.250 -11.401 1.00 0.00 C ATOM 1246 C LYS A 84 8.118 -4.923 -10.027 1.00 0.00 C ATOM 1247 O LYS A 84 8.083 -5.755 -9.122 1.00 0.00 O ATOM 1248 CB LYS A 84 8.619 -5.183 -12.482 1.00 0.00 C ATOM 1249 CG LYS A 84 9.825 -6.074 -12.225 1.00 0.00 C ATOM 1250 CD LYS A 84 10.684 -6.198 -13.474 1.00 0.00 C ATOM 1251 CE LYS A 84 11.964 -6.978 -13.214 1.00 0.00 C ATOM 1252 NZ LYS A 84 12.921 -6.221 -12.367 1.00 0.00 N ATOM 0 H LYS A 84 6.580 -3.845 -12.627 1.00 0.00 H new ATOM 0 HA LYS A 84 7.141 -6.265 -11.347 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.177 -5.459 -13.439 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.959 -4.151 -12.574 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.419 -5.662 -11.409 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.491 -7.062 -11.909 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.112 -6.693 -14.259 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.935 -5.203 -13.841 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.719 -7.922 -12.728 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.438 -7.223 -14.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.827 -6.729 -12.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.072 -5.276 -12.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.535 -6.127 -11.406 1.00 0.00 H new ATOM 1266 N VAL A 85 8.632 -3.711 -9.867 1.00 0.00 N ATOM 1267 CA VAL A 85 9.256 -3.308 -8.611 1.00 0.00 C ATOM 1268 C VAL A 85 8.228 -3.260 -7.482 1.00 0.00 C ATOM 1269 O VAL A 85 8.504 -3.673 -6.352 1.00 0.00 O ATOM 1270 CB VAL A 85 9.942 -1.930 -8.742 1.00 0.00 C ATOM 1271 CG1 VAL A 85 10.616 -1.530 -7.438 1.00 0.00 C ATOM 1272 CG2 VAL A 85 10.950 -1.943 -9.881 1.00 0.00 C ATOM 0 H VAL A 85 8.630 -2.990 -10.589 1.00 0.00 H new ATOM 0 HA VAL A 85 10.013 -4.055 -8.373 1.00 0.00 H new ATOM 0 HB VAL A 85 9.174 -1.190 -8.966 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.091 -0.556 -7.558 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.870 -1.475 -6.645 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.370 -2.272 -7.176 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.424 -0.964 -9.959 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.710 -2.699 -9.686 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.440 -2.174 -10.816 1.00 0.00 H new ATOM 1282 N PHE A 86 7.034 -2.777 -7.804 1.00 0.00 N ATOM 1283 CA PHE A 86 5.969 -2.642 -6.822 1.00 0.00 C ATOM 1284 C PHE A 86 5.546 -4.007 -6.276 1.00 0.00 C ATOM 1285 O PHE A 86 5.328 -4.157 -5.076 1.00 0.00 O ATOM 1286 CB PHE A 86 4.777 -1.910 -7.443 1.00 0.00 C ATOM 1287 CG PHE A 86 3.681 -1.600 -6.463 1.00 0.00 C ATOM 1288 CD1 PHE A 86 3.839 -0.586 -5.532 1.00 0.00 C ATOM 1289 CD2 PHE A 86 2.496 -2.316 -6.470 1.00 0.00 C ATOM 1290 CE1 PHE A 86 2.838 -0.293 -4.628 1.00 0.00 C ATOM 1291 CE2 PHE A 86 1.490 -2.026 -5.568 1.00 0.00 C ATOM 1292 CZ PHE A 86 1.661 -1.013 -4.646 1.00 0.00 C ATOM 0 H PHE A 86 6.780 -2.471 -8.743 1.00 0.00 H new ATOM 0 HA PHE A 86 6.344 -2.055 -5.983 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.126 -0.979 -7.890 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.369 -2.518 -8.250 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.757 -0.018 -5.513 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.356 -3.110 -7.189 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.976 0.499 -3.907 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.570 -2.592 -5.584 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.876 -0.785 -3.941 1.00 0.00 H new ATOM 1302 N LEU A 87 5.442 -5.001 -7.156 1.00 0.00 N ATOM 1303 CA LEU A 87 5.123 -6.363 -6.735 1.00 0.00 C ATOM 1304 C LEU A 87 6.220 -6.901 -5.823 1.00 0.00 C ATOM 1305 O LEU A 87 5.939 -7.529 -4.805 1.00 0.00 O ATOM 1306 CB LEU A 87 4.963 -7.291 -7.947 1.00 0.00 C ATOM 1307 CG LEU A 87 3.728 -7.046 -8.819 1.00 0.00 C ATOM 1308 CD1 LEU A 87 3.809 -7.873 -10.091 1.00 0.00 C ATOM 1309 CD2 LEU A 87 2.455 -7.376 -8.057 1.00 0.00 C ATOM 0 H LEU A 87 5.573 -4.889 -8.161 1.00 0.00 H new ATOM 0 HA LEU A 87 4.179 -6.335 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.850 -7.196 -8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.934 -8.321 -7.590 1.00 0.00 H new ATOM 0 HG LEU A 87 3.703 -5.990 -9.087 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.925 -7.689 -10.701 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.701 -7.593 -10.651 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.859 -8.931 -9.834 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.591 -7.194 -8.696 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.471 -8.424 -7.758 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.389 -6.747 -7.170 1.00 0.00 H new ATOM 1321 N LYS A 88 7.468 -6.620 -6.186 1.00 0.00 N ATOM 1322 CA LYS A 88 8.626 -7.106 -5.437 1.00 0.00 C ATOM 1323 C LYS A 88 8.685 -6.505 -4.038 1.00 0.00 C ATOM 1324 O LYS A 88 9.327 -7.058 -3.144 1.00 0.00 O ATOM 1325 CB LYS A 88 9.919 -6.785 -6.184 1.00 0.00 C ATOM 1326 CG LYS A 88 10.055 -7.502 -7.514 1.00 0.00 C ATOM 1327 CD LYS A 88 10.198 -8.998 -7.318 1.00 0.00 C ATOM 1328 CE LYS A 88 10.593 -9.694 -8.609 1.00 0.00 C ATOM 1329 NZ LYS A 88 10.823 -11.146 -8.403 1.00 0.00 N ATOM 0 H LYS A 88 7.706 -6.054 -7.000 1.00 0.00 H new ATOM 0 HA LYS A 88 8.518 -8.186 -5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.971 -5.710 -6.355 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.767 -7.048 -5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.182 -7.295 -8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.923 -7.118 -8.050 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.949 -9.195 -6.553 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.256 -9.410 -6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.809 -9.552 -9.353 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.498 -9.235 -9.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.509 -11.492 -9.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.196 -11.306 -7.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.925 -11.659 -8.515 1.00 0.00 H new ATOM 1343 N ALA A 89 8.026 -5.365 -3.857 1.00 0.00 N ATOM 1344 CA ALA A 89 7.965 -4.722 -2.550 1.00 0.00 C ATOM 1345 C ALA A 89 7.230 -5.602 -1.544 1.00 0.00 C ATOM 1346 O ALA A 89 7.429 -5.476 -0.335 1.00 0.00 O ATOM 1347 CB ALA A 89 7.290 -3.361 -2.652 1.00 0.00 C ATOM 0 H ALA A 89 7.528 -4.869 -4.596 1.00 0.00 H new ATOM 0 HA ALA A 89 8.987 -4.578 -2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.254 -2.898 -1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.856 -2.724 -3.332 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.276 -3.485 -3.031 1.00 0.00 H new ATOM 1353 N GLY A 90 6.389 -6.495 -2.051 1.00 0.00 N ATOM 1354 CA GLY A 90 5.608 -7.352 -1.186 1.00 0.00 C ATOM 1355 C GLY A 90 5.843 -8.826 -1.447 1.00 0.00 C ATOM 1356 O GLY A 90 6.128 -9.583 -0.519 1.00 0.00 O ATOM 0 H GLY A 90 6.235 -6.640 -3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.851 -7.129 -0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.550 -7.129 -1.321 1.00 0.00 H new ATOM 1360 N ASP A 91 5.725 -9.232 -2.710 1.00 0.00 N ATOM 1361 CA ASP A 91 5.876 -10.636 -3.095 1.00 0.00 C ATOM 1362 C ASP A 91 7.270 -11.148 -2.759 1.00 0.00 C ATOM 1363 O ASP A 91 8.263 -10.697 -3.333 1.00 0.00 O ATOM 1364 CB ASP A 91 5.621 -10.826 -4.584 1.00 0.00 C ATOM 1365 CG ASP A 91 5.723 -12.281 -4.981 1.00 0.00 C ATOM 1366 OD1 ASP A 91 5.081 -13.133 -4.318 1.00 0.00 O ATOM 1367 OD2 ASP A 91 6.442 -12.587 -5.946 1.00 0.00 O ATOM 0 H ASP A 91 5.524 -8.605 -3.489 1.00 0.00 H new ATOM 0 HA ASP A 91 5.138 -11.206 -2.530 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.630 -10.447 -4.836 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.341 -10.240 -5.155 1.00 0.00 H new ATOM 1372 N SER A 92 7.341 -12.085 -1.832 1.00 0.00 N ATOM 1373 CA SER A 92 8.613 -12.605 -1.367 1.00 0.00 C ATOM 1374 C SER A 92 8.973 -13.871 -2.129 1.00 0.00 C ATOM 1375 O SER A 92 10.113 -14.333 -2.089 1.00 0.00 O ATOM 1376 CB SER A 92 8.532 -12.889 0.137 1.00 0.00 C ATOM 1377 OG SER A 92 9.781 -13.310 0.665 1.00 0.00 O ATOM 0 H SER A 92 6.526 -12.504 -1.384 1.00 0.00 H new ATOM 0 HA SER A 92 9.392 -11.864 -1.547 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.202 -11.991 0.659 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.782 -13.658 0.321 1.00 0.00 H new ATOM 0 HG SER A 92 10.299 -13.757 -0.037 1.00 0.00 H new ATOM 1383 N ASP A 93 7.996 -14.418 -2.838 1.00 0.00 N ATOM 1384 CA ASP A 93 8.183 -15.695 -3.527 1.00 0.00 C ATOM 1385 C ASP A 93 8.839 -15.502 -4.888 1.00 0.00 C ATOM 1386 O ASP A 93 9.497 -16.403 -5.407 1.00 0.00 O ATOM 1387 CB ASP A 93 6.849 -16.418 -3.729 1.00 0.00 C ATOM 1388 CG ASP A 93 5.880 -16.216 -2.585 1.00 0.00 C ATOM 1389 OD1 ASP A 93 5.972 -16.938 -1.574 1.00 0.00 O ATOM 1390 OD2 ASP A 93 5.013 -15.321 -2.703 1.00 0.00 O ATOM 0 H ASP A 93 7.071 -14.004 -2.953 1.00 0.00 H new ATOM 0 HA ASP A 93 8.833 -16.298 -2.893 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.389 -16.066 -4.652 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.037 -17.485 -3.853 1.00 0.00 H new ATOM 1395 N GLY A 94 8.654 -14.322 -5.464 1.00 0.00 N ATOM 1396 CA GLY A 94 9.169 -14.056 -6.791 1.00 0.00 C ATOM 1397 C GLY A 94 8.263 -14.623 -7.862 1.00 0.00 C ATOM 1398 O GLY A 94 8.728 -15.095 -8.899 1.00 0.00 O ATOM 0 H GLY A 94 8.155 -13.543 -5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.273 -12.980 -6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.165 -14.488 -6.889 1.00 0.00 H new ATOM 1402 N ASP A 95 6.964 -14.550 -7.615 1.00 0.00 N ATOM 1403 CA ASP A 95 5.971 -15.136 -8.504 1.00 0.00 C ATOM 1404 C ASP A 95 5.285 -14.067 -9.352 1.00 0.00 C ATOM 1405 O ASP A 95 4.713 -14.368 -10.402 1.00 0.00 O ATOM 1406 CB ASP A 95 4.929 -15.932 -7.701 1.00 0.00 C ATOM 1407 CG ASP A 95 4.323 -15.131 -6.564 1.00 0.00 C ATOM 1408 OD1 ASP A 95 3.787 -14.048 -6.810 1.00 0.00 O ATOM 1409 OD2 ASP A 95 4.399 -15.571 -5.396 1.00 0.00 O ATOM 0 H ASP A 95 6.569 -14.086 -6.797 1.00 0.00 H new ATOM 0 HA ASP A 95 6.490 -15.818 -9.178 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.135 -16.260 -8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.397 -16.830 -7.297 1.00 0.00 H new ATOM 1414 N GLY A 96 5.345 -12.820 -8.901 1.00 0.00 N ATOM 1415 CA GLY A 96 4.783 -11.727 -9.676 1.00 0.00 C ATOM 1416 C GLY A 96 3.345 -11.419 -9.305 1.00 0.00 C ATOM 1417 O GLY A 96 2.558 -10.970 -10.140 1.00 0.00 O ATOM 0 H GLY A 96 5.771 -12.545 -8.016 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.390 -10.834 -9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.834 -11.976 -10.736 1.00 0.00 H new ATOM 1421 N LYS A 97 2.998 -11.689 -8.062 1.00 0.00 N ATOM 1422 CA LYS A 97 1.662 -11.433 -7.545 1.00 0.00 C ATOM 1423 C LYS A 97 1.778 -10.735 -6.214 1.00 0.00 C ATOM 1424 O LYS A 97 2.865 -10.605 -5.659 1.00 0.00 O ATOM 1425 CB LYS A 97 0.925 -12.763 -7.354 1.00 0.00 C ATOM 1426 CG LYS A 97 1.080 -13.352 -5.954 1.00 0.00 C ATOM 1427 CD LYS A 97 0.754 -14.833 -5.925 1.00 0.00 C ATOM 1428 CE LYS A 97 -0.675 -15.108 -6.352 1.00 0.00 C ATOM 1429 NZ LYS A 97 -1.000 -16.552 -6.250 1.00 0.00 N ATOM 0 H LYS A 97 3.636 -12.094 -7.377 1.00 0.00 H new ATOM 0 HA LYS A 97 1.109 -10.808 -8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.135 -12.615 -7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.295 -13.482 -8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.102 -13.198 -5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.425 -12.822 -5.263 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.439 -15.368 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.912 -15.220 -4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.360 -14.534 -5.728 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.821 -14.772 -7.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.856 -16.755 -6.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.206 -17.113 -6.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.166 -16.801 -5.254 1.00 0.00 H new ATOM 1443 N ILE A 98 0.660 -10.291 -5.703 1.00 0.00 N ATOM 1444 CA ILE A 98 0.625 -9.754 -4.377 1.00 0.00 C ATOM 1445 C ILE A 98 -0.178 -10.663 -3.479 1.00 0.00 C ATOM 1446 O ILE A 98 -1.407 -10.675 -3.519 1.00 0.00 O ATOM 1447 CB ILE A 98 0.045 -8.331 -4.341 1.00 0.00 C ATOM 1448 CG1 ILE A 98 1.021 -7.349 -4.990 1.00 0.00 C ATOM 1449 CG2 ILE A 98 -0.260 -7.907 -2.916 1.00 0.00 C ATOM 1450 CD1 ILE A 98 2.373 -7.297 -4.306 1.00 0.00 C ATOM 0 H ILE A 98 -0.237 -10.292 -6.189 1.00 0.00 H new ATOM 0 HA ILE A 98 1.653 -9.694 -4.019 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.889 -8.326 -4.904 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.162 -7.626 -6.035 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.580 -6.352 -4.982 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.669 -6.897 -2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.987 -8.593 -2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.657 -7.927 -2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 98 3.013 -6.580 -4.820 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.244 -6.990 -3.268 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.835 -8.284 -4.338 1.00 0.00 H new ATOM 1462 N GLY A 99 0.521 -11.473 -2.714 1.00 0.00 N ATOM 1463 CA GLY A 99 -0.128 -12.140 -1.628 1.00 0.00 C ATOM 1464 C GLY A 99 -0.656 -11.098 -0.681 1.00 0.00 C ATOM 1465 O GLY A 99 -0.014 -10.065 -0.490 1.00 0.00 O ATOM 0 H GLY A 99 1.514 -11.677 -2.826 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.942 -12.764 -1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.572 -12.800 -1.115 1.00 0.00 H new ATOM 1469 N VAL A 100 -1.826 -11.320 -0.129 1.00 0.00 N ATOM 1470 CA VAL A 100 -2.440 -10.354 0.734 1.00 0.00 C ATOM 1471 C VAL A 100 -1.497 -9.910 1.847 1.00 0.00 C ATOM 1472 O VAL A 100 -1.321 -8.718 2.093 1.00 0.00 O ATOM 1473 CB VAL A 100 -3.733 -10.919 1.317 1.00 0.00 C ATOM 1474 CG1 VAL A 100 -4.837 -10.846 0.271 1.00 0.00 C ATOM 1475 CG2 VAL A 100 -3.553 -12.357 1.797 1.00 0.00 C ATOM 0 H VAL A 100 -2.371 -12.171 -0.268 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.674 -9.473 0.137 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.008 -10.317 2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.760 -11.249 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.994 -9.807 -0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.549 -11.429 -0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.494 -12.725 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.251 -12.985 0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.785 -12.389 2.570 1.00 0.00 H new ATOM 1485 N ASP A 101 -0.844 -10.870 2.465 1.00 0.00 N ATOM 1486 CA ASP A 101 0.075 -10.587 3.549 1.00 0.00 C ATOM 1487 C ASP A 101 1.384 -10.020 3.004 1.00 0.00 C ATOM 1488 O ASP A 101 2.085 -9.273 3.691 1.00 0.00 O ATOM 1489 CB ASP A 101 0.309 -11.860 4.349 1.00 0.00 C ATOM 1490 CG ASP A 101 1.239 -11.653 5.529 1.00 0.00 C ATOM 1491 OD1 ASP A 101 2.466 -11.810 5.359 1.00 0.00 O ATOM 1492 OD2 ASP A 101 0.751 -11.335 6.634 1.00 0.00 O ATOM 0 H ASP A 101 -0.933 -11.860 2.234 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.355 -9.834 4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.648 -12.238 4.709 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.727 -12.624 3.693 1.00 0.00 H new ATOM 1497 N GLU A 102 1.688 -10.359 1.753 1.00 0.00 N ATOM 1498 CA GLU A 102 2.846 -9.797 1.062 1.00 0.00 C ATOM 1499 C GLU A 102 2.693 -8.284 0.947 1.00 0.00 C ATOM 1500 O GLU A 102 3.638 -7.530 1.174 1.00 0.00 O ATOM 1501 CB GLU A 102 3.000 -10.402 -0.344 1.00 0.00 C ATOM 1502 CG GLU A 102 3.080 -11.922 -0.372 1.00 0.00 C ATOM 1503 CD GLU A 102 4.269 -12.470 0.387 1.00 0.00 C ATOM 1504 OE1 GLU A 102 4.208 -12.530 1.633 1.00 0.00 O ATOM 1505 OE2 GLU A 102 5.260 -12.863 -0.260 1.00 0.00 O ATOM 0 H GLU A 102 1.147 -11.021 1.197 1.00 0.00 H new ATOM 0 HA GLU A 102 3.737 -10.038 1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.157 -10.084 -0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.900 -9.995 -0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.165 -12.336 0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.132 -12.258 -1.408 1.00 0.00 H new ATOM 1512 N PHE A 103 1.483 -7.848 0.611 1.00 0.00 N ATOM 1513 CA PHE A 103 1.192 -6.429 0.468 1.00 0.00 C ATOM 1514 C PHE A 103 1.337 -5.725 1.808 1.00 0.00 C ATOM 1515 O PHE A 103 1.904 -4.637 1.888 1.00 0.00 O ATOM 1516 CB PHE A 103 -0.221 -6.220 -0.076 1.00 0.00 C ATOM 1517 CG PHE A 103 -0.452 -4.844 -0.634 1.00 0.00 C ATOM 1518 CD1 PHE A 103 0.103 -4.478 -1.849 1.00 0.00 C ATOM 1519 CD2 PHE A 103 -1.215 -3.920 0.054 1.00 0.00 C ATOM 1520 CE1 PHE A 103 -0.102 -3.216 -2.368 1.00 0.00 C ATOM 1521 CE2 PHE A 103 -1.422 -2.654 -0.461 1.00 0.00 C ATOM 1522 CZ PHE A 103 -0.865 -2.301 -1.673 1.00 0.00 C ATOM 0 H PHE A 103 0.687 -8.461 0.433 1.00 0.00 H new ATOM 0 HA PHE A 103 1.905 -6.004 -0.239 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.414 -6.957 -0.856 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.940 -6.405 0.722 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.704 -5.189 -2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.654 -4.190 1.003 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.335 -2.945 -3.318 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -2.020 -1.940 0.086 1.00 0.00 H new ATOM 0 HZ PHE A 103 -1.026 -1.312 -2.076 1.00 0.00 H new ATOM 1532 N GLY A 104 0.831 -6.364 2.859 1.00 0.00 N ATOM 1533 CA GLY A 104 0.955 -5.817 4.199 1.00 0.00 C ATOM 1534 C GLY A 104 2.394 -5.533 4.566 1.00 0.00 C ATOM 1535 O GLY A 104 2.696 -4.526 5.205 1.00 0.00 O ATOM 0 H GLY A 104 0.336 -7.254 2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.375 -4.897 4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.530 -6.518 4.917 1.00 0.00 H new ATOM 1539 N ALA A 105 3.287 -6.410 4.128 1.00 0.00 N ATOM 1540 CA ALA A 105 4.709 -6.253 4.385 1.00 0.00 C ATOM 1541 C ALA A 105 5.262 -4.997 3.714 1.00 0.00 C ATOM 1542 O ALA A 105 6.157 -4.352 4.252 1.00 0.00 O ATOM 1543 CB ALA A 105 5.467 -7.483 3.912 1.00 0.00 C ATOM 0 H ALA A 105 3.048 -7.243 3.589 1.00 0.00 H new ATOM 0 HA ALA A 105 4.846 -6.143 5.461 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.531 -7.353 4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.103 -8.362 4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.311 -7.617 2.842 1.00 0.00 H new ATOM 1549 N MET A 106 4.719 -4.641 2.551 1.00 0.00 N ATOM 1550 CA MET A 106 5.224 -3.486 1.809 1.00 0.00 C ATOM 1551 C MET A 106 4.616 -2.189 2.342 1.00 0.00 C ATOM 1552 O MET A 106 5.147 -1.105 2.111 1.00 0.00 O ATOM 1553 CB MET A 106 4.942 -3.613 0.303 1.00 0.00 C ATOM 1554 CG MET A 106 3.610 -3.025 -0.141 1.00 0.00 C ATOM 1555 SD MET A 106 3.489 -2.830 -1.929 1.00 0.00 S ATOM 1556 CE MET A 106 3.555 -4.535 -2.469 1.00 0.00 C ATOM 0 H MET A 106 3.940 -5.127 2.107 1.00 0.00 H new ATOM 0 HA MET A 106 6.304 -3.458 1.953 1.00 0.00 H new ATOM 0 HB2 MET A 106 5.744 -3.120 -0.247 1.00 0.00 H new ATOM 0 HB3 MET A 106 4.969 -4.668 0.029 1.00 0.00 H new ATOM 0 HG2 MET A 106 2.801 -3.669 0.205 1.00 0.00 H new ATOM 0 HG3 MET A 106 3.470 -2.055 0.335 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.813 -4.698 -3.251 1.00 0.00 H new ATOM 0 HE2 MET A 106 4.549 -4.755 -2.860 1.00 0.00 H new ATOM 0 HE3 MET A 106 3.343 -5.192 -1.626 1.00 0.00 H new ATOM 1566 N ILE A 107 3.495 -2.306 3.040 1.00 0.00 N ATOM 1567 CA ILE A 107 2.855 -1.150 3.659 1.00 0.00 C ATOM 1568 C ILE A 107 3.598 -0.793 4.935 1.00 0.00 C ATOM 1569 O ILE A 107 3.681 0.363 5.341 1.00 0.00 O ATOM 1570 CB ILE A 107 1.381 -1.443 4.019 1.00 0.00 C ATOM 1571 CG1 ILE A 107 0.604 -1.909 2.791 1.00 0.00 C ATOM 1572 CG2 ILE A 107 0.724 -0.210 4.623 1.00 0.00 C ATOM 1573 CD1 ILE A 107 -0.791 -2.393 3.117 1.00 0.00 C ATOM 0 H ILE A 107 3.009 -3.189 3.193 1.00 0.00 H new ATOM 0 HA ILE A 107 2.884 -0.327 2.944 1.00 0.00 H new ATOM 0 HB ILE A 107 1.366 -2.244 4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.539 -1.088 2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.156 -2.713 2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.313 -0.435 4.870 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.258 0.080 5.528 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.756 0.609 3.904 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.290 -2.710 2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.732 -3.234 3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.358 -1.584 3.578 1.00 0.00 H new ATOM 1585 N LYS A 108 4.140 -1.821 5.546 1.00 0.00 N ATOM 1586 CA LYS A 108 4.791 -1.704 6.830 1.00 0.00 C ATOM 1587 C LYS A 108 6.293 -1.453 6.676 1.00 0.00 C ATOM 1588 O LYS A 108 6.915 -0.826 7.533 1.00 0.00 O ATOM 1589 CB LYS A 108 4.483 -2.978 7.622 1.00 0.00 C ATOM 1590 CG LYS A 108 5.371 -3.238 8.825 1.00 0.00 C ATOM 1591 CD LYS A 108 6.481 -4.220 8.485 1.00 0.00 C ATOM 1592 CE LYS A 108 7.277 -4.610 9.716 1.00 0.00 C ATOM 1593 NZ LYS A 108 6.408 -5.157 10.792 1.00 0.00 N ATOM 0 H LYS A 108 4.142 -2.767 5.164 1.00 0.00 H new ATOM 0 HA LYS A 108 4.411 -0.840 7.375 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.448 -2.931 7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 108 4.559 -3.830 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.805 -2.299 9.170 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.771 -3.632 9.645 1.00 0.00 H new ATOM 0 HD2 LYS A 108 6.051 -5.113 8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 108 7.147 -3.775 7.746 1.00 0.00 H new ATOM 0 HE2 LYS A 108 8.026 -5.353 9.443 1.00 0.00 H new ATOM 0 HE3 LYS A 108 7.814 -3.739 10.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.985 -5.712 11.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 5.951 -4.374 11.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 5.679 -5.769 10.372 1.00 0.00 H new ATOM 1607 N ALA A 109 6.871 -1.916 5.578 1.00 0.00 N ATOM 1608 CA ALA A 109 8.294 -1.731 5.336 1.00 0.00 C ATOM 1609 C ALA A 109 8.566 -1.472 3.860 1.00 0.00 C ATOM 1610 O ALA A 109 8.919 -0.327 3.508 1.00 0.00 O ATOM 1611 CB ALA A 109 9.078 -2.939 5.823 1.00 0.00 C ATOM 1612 OXT ALA A 109 8.431 -2.414 3.054 1.00 0.00 O ATOM 0 H ALA A 109 6.378 -2.421 4.842 1.00 0.00 H new ATOM 0 HA ALA A 109 8.624 -0.857 5.897 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.140 -2.784 5.634 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.915 -3.071 6.893 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.742 -3.829 5.292 1.00 0.00 H new TER 1618 ALA A 109 HETATM 1619 CA CA A 201 -7.174 -11.310 -7.963 1.00 0.00 CA HETATM 1620 CA CA A 202 4.142 -14.559 -4.004 1.00 0.00 CA