USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1001 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 56 ASN : amide:sc= 0.686 K(o=-3.5,f=-2.9) USER MOD Set 1.2: A 106 GLN : amide:sc= -4.2! K(o=-3.5!,f=-2.9) USER MOD Set 2.1: A 67 TYR OH : rot -48:sc= 0.337 USER MOD Set 2.2: A 80 LYS NZ :NH3+ -163:sc= 0.251 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 137:sc= 0.0649 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.194) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= -0.0312 (180deg=-0.308) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -6.77 K(o=-6.8,f=-11!) USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= -0.0111 (180deg=-0.174) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -179:sc= -0.0893 USER MOD Single : A 37 LYS NZ :NH3+ -153:sc= 0.011 (180deg=-0.516) USER MOD Single : A 38 SER OG : rot -95:sc= 0.45 USER MOD Single : A 42 HIS : no HD1:sc= -2.6 K(o=-2.6,f=-5.4!) USER MOD Single : A 44 TYR OH : rot 50:sc= -1.89 USER MOD Single : A 49 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.041) USER MOD Single : A 55 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -36:sc= 0.463 USER MOD Single : A 74 LYS NZ :NH3+ -130:sc= 1.83 (180deg=-4.04!) USER MOD Single : A 75 ASN : amide:sc= -0.432 K(o=-0.43,f=-0.99) USER MOD Single : A 83 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0172) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0325 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.58) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 102:sc= 1.01 USER MOD Single : A 98 TYR OH : rot -175:sc= 0.399 USER MOD Single : A 100 ASN : amide:sc= -4.06! C(o=-4.1!,f=-2.9!) USER MOD Single : A 101 SER OG : rot -59:sc= 0.0848 USER MOD Single : A 107 TYR OH : rot -140:sc= -1.21 USER MOD Single : A 111 MET CE :methyl 180:sc= -0.329 (180deg=-0.329) USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.0385 USER MOD Single : A 113 HIS : no HD1:sc= -10.4! C(o=-10!,f=-17!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -111:sc= -0.674 (180deg=-2.5!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 120 ASN : amide:sc= -0.159 K(o=-0.16,f=-0.87) USER MOD Single : A 121 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.0012) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.422 12.594 2.093 1.00 0.00 N ATOM 2 CA ALA A 1 -14.013 12.543 0.678 1.00 0.00 C ATOM 3 C ALA A 1 -13.311 11.222 0.401 1.00 0.00 C ATOM 4 O ALA A 1 -12.542 10.802 1.250 1.00 0.00 O ATOM 5 CB ALA A 1 -13.119 13.738 0.309 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.212 13.536 2.481 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.443 12.409 2.166 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.900 11.874 2.631 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.903 12.609 0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.835 13.670 -0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.665 14.666 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.222 13.726 0.929 1.00 0.00 H new ATOM 13 N PRO A 2 -13.577 10.576 -0.748 1.00 0.00 N ATOM 14 CA PRO A 2 -12.916 9.333 -1.176 1.00 0.00 C ATOM 15 C PRO A 2 -11.422 9.505 -1.531 1.00 0.00 C ATOM 16 O PRO A 2 -10.772 8.579 -2.003 1.00 0.00 O ATOM 17 CB PRO A 2 -13.714 8.863 -2.400 1.00 0.00 C ATOM 18 CG PRO A 2 -14.287 10.155 -2.983 1.00 0.00 C ATOM 19 CD PRO A 2 -14.513 11.037 -1.761 1.00 0.00 C ATOM 0 HA PRO A 2 -12.913 8.612 -0.359 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.077 8.348 -3.119 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -14.504 8.167 -2.119 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.595 10.617 -3.687 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -15.217 9.973 -3.522 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.341 12.086 -2.001 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.541 10.956 -1.407 1.00 0.00 H new ATOM 27 N ILE A 3 -10.882 10.701 -1.350 1.00 0.00 N ATOM 28 CA ILE A 3 -9.501 11.065 -1.625 1.00 0.00 C ATOM 29 C ILE A 3 -8.866 11.567 -0.336 1.00 0.00 C ATOM 30 O ILE A 3 -9.126 12.677 0.127 1.00 0.00 O ATOM 31 CB ILE A 3 -9.425 12.091 -2.766 1.00 0.00 C ATOM 32 CG1 ILE A 3 -7.960 12.537 -2.974 1.00 0.00 C ATOM 33 CG2 ILE A 3 -10.348 13.310 -2.534 1.00 0.00 C ATOM 34 CD1 ILE A 3 -7.082 11.449 -3.603 1.00 0.00 C ATOM 0 H ILE A 3 -11.425 11.485 -0.988 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.939 10.195 -1.966 1.00 0.00 H new ATOM 0 HB ILE A 3 -9.785 11.603 -3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.943 13.422 -3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.535 12.827 -2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.254 14.002 -3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.382 12.974 -2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.060 13.814 -1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.066 11.825 -3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -7.070 10.572 -2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.484 11.175 -4.578 1.00 0.00 H new ATOM 46 N VAL A 4 -8.064 10.721 0.263 1.00 0.00 N ATOM 47 CA VAL A 4 -7.260 11.091 1.408 1.00 0.00 C ATOM 48 C VAL A 4 -5.842 11.527 1.021 1.00 0.00 C ATOM 49 O VAL A 4 -5.466 11.530 -0.166 1.00 0.00 O ATOM 50 CB VAL A 4 -7.248 9.925 2.378 1.00 0.00 C ATOM 51 CG1 VAL A 4 -8.648 9.528 2.872 1.00 0.00 C ATOM 52 CG2 VAL A 4 -6.508 8.703 1.878 1.00 0.00 C ATOM 0 H VAL A 4 -7.948 9.751 -0.030 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.705 11.964 1.885 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.685 10.314 3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.566 8.688 3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.107 10.374 3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.266 9.240 2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.549 7.918 2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -6.973 8.347 0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.468 8.963 1.681 1.00 0.00 H new ATOM 62 N THR A 5 -5.037 11.868 2.026 1.00 0.00 N ATOM 63 CA THR A 5 -3.659 12.283 1.854 1.00 0.00 C ATOM 64 C THR A 5 -2.741 11.817 2.968 1.00 0.00 C ATOM 65 O THR A 5 -2.741 12.394 4.040 1.00 0.00 O ATOM 66 CB THR A 5 -3.528 13.803 1.721 1.00 0.00 C ATOM 67 OG1 THR A 5 -4.429 14.575 2.481 1.00 0.00 O ATOM 68 CG2 THR A 5 -3.832 14.249 0.302 1.00 0.00 C ATOM 0 H THR A 5 -5.338 11.861 3.001 1.00 0.00 H new ATOM 0 HA THR A 5 -3.345 11.801 0.928 1.00 0.00 H new ATOM 0 HB THR A 5 -2.506 13.970 2.062 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.258 15.527 2.324 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.733 15.332 0.232 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.132 13.775 -0.386 1.00 0.00 H new ATOM 0 HG23 THR A 5 -4.850 13.960 0.040 1.00 0.00 H new ATOM 76 N CYS A 6 -1.841 10.878 2.674 1.00 0.00 N ATOM 77 CA CYS A 6 -0.920 10.368 3.683 1.00 0.00 C ATOM 78 C CYS A 6 -0.106 11.517 4.301 1.00 0.00 C ATOM 79 O CYS A 6 0.088 12.545 3.643 1.00 0.00 O ATOM 80 CB CYS A 6 -0.012 9.312 3.035 1.00 0.00 C ATOM 81 SG CYS A 6 -0.793 7.976 2.104 1.00 0.00 S ATOM 0 H CYS A 6 -1.732 10.459 1.750 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.478 9.901 4.495 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.675 9.829 2.365 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.591 8.861 3.823 1.00 0.00 H new ATOM 86 N ARG A 7 0.545 11.269 5.440 1.00 0.00 N ATOM 87 CA ARG A 7 1.488 12.197 6.102 1.00 0.00 C ATOM 88 C ARG A 7 2.952 11.705 6.105 1.00 0.00 C ATOM 89 O ARG A 7 3.632 11.755 7.126 1.00 0.00 O ATOM 90 CB ARG A 7 0.960 12.457 7.515 1.00 0.00 C ATOM 91 CG ARG A 7 -0.209 13.446 7.504 1.00 0.00 C ATOM 92 CD ARG A 7 -0.989 13.319 8.813 1.00 0.00 C ATOM 93 NE ARG A 7 -0.186 13.733 9.984 1.00 0.00 N ATOM 94 CZ ARG A 7 -0.170 13.136 11.152 1.00 0.00 C ATOM 95 NH1 ARG A 7 -0.907 12.086 11.387 1.00 0.00 N ATOM 96 NH2 ARG A 7 0.577 13.584 12.115 1.00 0.00 N ATOM 0 H ARG A 7 0.433 10.392 5.949 1.00 0.00 H new ATOM 0 HA ARG A 7 1.529 13.125 5.531 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.638 11.517 7.963 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.764 12.849 8.139 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.162 14.464 7.385 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.863 13.244 6.656 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.890 13.930 8.758 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.312 12.286 8.943 1.00 0.00 H new ATOM 0 HE ARG A 7 0.408 14.555 9.874 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.512 11.713 10.655 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.879 11.638 12.303 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.159 14.408 11.967 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.581 13.112 13.019 1.00 0.00 H new ATOM 110 N PRO A 8 3.482 11.208 4.972 1.00 0.00 N ATOM 111 CA PRO A 8 4.846 10.729 4.858 1.00 0.00 C ATOM 112 C PRO A 8 5.846 11.875 4.987 1.00 0.00 C ATOM 113 O PRO A 8 5.507 13.062 5.017 1.00 0.00 O ATOM 114 CB PRO A 8 4.941 10.078 3.473 1.00 0.00 C ATOM 115 CG PRO A 8 3.882 10.793 2.664 1.00 0.00 C ATOM 116 CD PRO A 8 2.840 11.124 3.690 1.00 0.00 C ATOM 0 HA PRO A 8 5.086 10.023 5.653 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.932 10.207 3.038 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.751 9.006 3.521 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.276 11.689 2.186 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.482 10.159 1.873 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.353 12.068 3.446 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.063 10.359 3.703 1.00 0.00 H new ATOM 124 N LYS A 9 7.130 11.532 4.928 1.00 0.00 N ATOM 125 CA LYS A 9 8.228 12.495 4.972 1.00 0.00 C ATOM 126 C LYS A 9 8.920 12.632 3.621 1.00 0.00 C ATOM 127 O LYS A 9 9.438 11.672 3.048 1.00 0.00 O ATOM 128 CB LYS A 9 9.195 12.068 6.078 1.00 0.00 C ATOM 129 CG LYS A 9 10.490 12.899 6.079 1.00 0.00 C ATOM 130 CD LYS A 9 11.545 12.239 6.967 1.00 0.00 C ATOM 131 CE LYS A 9 12.924 12.843 6.668 1.00 0.00 C ATOM 132 NZ LYS A 9 14.015 11.934 7.105 1.00 0.00 N ATOM 0 H LYS A 9 7.442 10.564 4.847 1.00 0.00 H new ATOM 0 HA LYS A 9 7.837 13.487 5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.703 12.167 7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.443 11.014 5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.869 12.994 5.062 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.283 13.907 6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.293 12.385 8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.562 11.164 6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.015 13.037 5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.021 13.803 7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.920 12.265 6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.068 11.929 8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.822 10.971 6.764 1.00 0.00 H new ATOM 146 N LEU A 10 9.141 13.872 3.207 1.00 0.00 N ATOM 147 CA LEU A 10 9.907 14.130 1.997 1.00 0.00 C ATOM 148 C LEU A 10 11.328 14.556 2.373 1.00 0.00 C ATOM 149 O LEU A 10 12.238 13.717 2.444 1.00 0.00 O ATOM 150 CB LEU A 10 9.098 15.096 1.112 1.00 0.00 C ATOM 151 CG LEU A 10 9.581 15.229 -0.354 1.00 0.00 C ATOM 152 CD1 LEU A 10 11.065 14.969 -0.557 1.00 0.00 C ATOM 153 CD2 LEU A 10 8.762 14.347 -1.300 1.00 0.00 C ATOM 0 H LEU A 10 8.804 14.707 3.686 1.00 0.00 H new ATOM 0 HA LEU A 10 10.057 13.241 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.059 14.768 1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.117 16.084 1.572 1.00 0.00 H new ATOM 0 HG LEU A 10 9.418 16.278 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.314 15.084 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 10 11.643 15.681 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.304 13.955 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.130 14.467 -2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.859 13.304 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.713 14.642 -1.256 1.00 0.00 H new ATOM 165 N ASP A 11 11.444 15.829 2.747 1.00 0.00 N ATOM 166 CA ASP A 11 12.708 16.546 2.970 1.00 0.00 C ATOM 167 C ASP A 11 12.768 17.046 4.409 1.00 0.00 C ATOM 168 O ASP A 11 13.136 18.177 4.714 1.00 0.00 O ATOM 169 CB ASP A 11 12.904 17.690 1.953 1.00 0.00 C ATOM 170 CG ASP A 11 13.446 17.236 0.610 1.00 0.00 C ATOM 171 OD1 ASP A 11 14.006 16.119 0.585 1.00 0.00 O ATOM 172 OD2 ASP A 11 13.234 18.015 -0.340 1.00 0.00 O ATOM 0 H ASP A 11 10.628 16.418 2.911 1.00 0.00 H new ATOM 0 HA ASP A 11 13.534 15.853 2.811 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.949 18.191 1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 11 13.585 18.427 2.378 1.00 0.00 H new ATOM 177 N GLY A 12 12.287 16.212 5.329 1.00 0.00 N ATOM 178 CA GLY A 12 12.228 16.574 6.743 1.00 0.00 C ATOM 179 C GLY A 12 10.863 17.070 7.190 1.00 0.00 C ATOM 180 O GLY A 12 10.527 16.885 8.350 1.00 0.00 O ATOM 0 H GLY A 12 11.932 15.279 5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 12 12.504 15.707 7.343 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.969 17.348 6.942 1.00 0.00 H new ATOM 184 N ARG A 13 10.073 17.662 6.286 1.00 0.00 N ATOM 185 CA ARG A 13 8.710 18.128 6.577 1.00 0.00 C ATOM 186 C ARG A 13 7.681 17.135 6.051 1.00 0.00 C ATOM 187 O ARG A 13 7.883 16.570 4.971 1.00 0.00 O ATOM 188 CB ARG A 13 8.496 19.515 5.963 1.00 0.00 C ATOM 189 CG ARG A 13 9.436 20.562 6.581 1.00 0.00 C ATOM 190 CD ARG A 13 9.162 21.940 5.976 1.00 0.00 C ATOM 191 NE ARG A 13 9.637 22.044 4.582 1.00 0.00 N ATOM 192 CZ ARG A 13 9.627 23.147 3.859 1.00 0.00 C ATOM 193 NH1 ARG A 13 9.166 24.263 4.349 1.00 0.00 N ATOM 194 NH2 ARG A 13 10.073 23.158 2.636 1.00 0.00 N ATOM 0 H ARG A 13 10.364 17.833 5.323 1.00 0.00 H new ATOM 0 HA ARG A 13 8.581 18.200 7.657 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.663 19.466 4.887 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.461 19.823 6.111 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.294 20.596 7.661 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.474 20.279 6.405 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.091 22.142 6.009 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.650 22.704 6.582 1.00 0.00 H new ATOM 0 HE ARG A 13 10.001 21.198 4.144 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.807 24.291 5.303 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.164 25.108 3.778 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.440 22.302 2.219 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.056 24.022 2.095 1.00 0.00 H new ATOM 208 N GLU A 14 6.618 16.937 6.823 1.00 0.00 N ATOM 209 CA GLU A 14 5.502 16.061 6.471 1.00 0.00 C ATOM 210 C GLU A 14 4.844 16.545 5.181 1.00 0.00 C ATOM 211 O GLU A 14 4.355 17.678 5.107 1.00 0.00 O ATOM 212 CB GLU A 14 4.457 15.989 7.590 1.00 0.00 C ATOM 213 CG GLU A 14 4.998 15.336 8.868 1.00 0.00 C ATOM 214 CD GLU A 14 3.884 15.105 9.925 1.00 0.00 C ATOM 215 OE1 GLU A 14 2.706 14.818 9.592 1.00 0.00 O ATOM 216 OE2 GLU A 14 4.191 15.299 11.120 1.00 0.00 O ATOM 0 H GLU A 14 6.504 17.389 7.730 1.00 0.00 H new ATOM 0 HA GLU A 14 5.905 15.059 6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.109 16.996 7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.593 15.426 7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.463 14.382 8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.777 15.968 9.295 1.00 0.00 H new ATOM 223 N LYS A 15 4.906 15.723 4.131 1.00 0.00 N ATOM 224 CA LYS A 15 4.320 16.060 2.836 1.00 0.00 C ATOM 225 C LYS A 15 3.051 15.241 2.585 1.00 0.00 C ATOM 226 O LYS A 15 3.135 14.020 2.589 1.00 0.00 O ATOM 227 CB LYS A 15 5.345 15.851 1.724 1.00 0.00 C ATOM 228 CG LYS A 15 4.822 16.369 0.372 1.00 0.00 C ATOM 229 CD LYS A 15 5.793 15.983 -0.740 1.00 0.00 C ATOM 230 CE LYS A 15 5.176 16.231 -2.120 1.00 0.00 C ATOM 231 NZ LYS A 15 5.725 15.290 -3.132 1.00 0.00 N ATOM 0 H LYS A 15 5.361 14.811 4.156 1.00 0.00 H new ATOM 0 HA LYS A 15 4.036 17.112 2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.271 16.367 1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.583 14.791 1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.836 15.950 0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.707 17.452 0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.713 16.559 -0.640 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.063 14.932 -0.642 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.094 16.117 -2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.372 17.257 -2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.289 15.481 -4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.755 15.417 -3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.516 14.312 -2.846 1.00 0.00 H new ATOM 245 N PRO A 16 1.932 15.884 2.209 1.00 0.00 N ATOM 246 CA PRO A 16 0.675 15.218 1.894 1.00 0.00 C ATOM 247 C PRO A 16 0.775 14.351 0.635 1.00 0.00 C ATOM 248 O PRO A 16 1.035 14.844 -0.475 1.00 0.00 O ATOM 249 CB PRO A 16 -0.360 16.328 1.735 1.00 0.00 C ATOM 250 CG PRO A 16 0.476 17.535 1.313 1.00 0.00 C ATOM 251 CD PRO A 16 1.807 17.313 2.018 1.00 0.00 C ATOM 0 HA PRO A 16 0.396 14.526 2.688 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.108 16.075 0.984 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.894 16.515 2.666 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.598 17.579 0.231 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.011 18.472 1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.633 17.699 1.420 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.833 17.837 2.974 1.00 0.00 H new ATOM 259 N PHE A 17 0.551 13.045 0.769 1.00 0.00 N ATOM 260 CA PHE A 17 0.592 12.118 -0.358 1.00 0.00 C ATOM 261 C PHE A 17 -0.806 11.704 -0.773 1.00 0.00 C ATOM 262 O PHE A 17 -1.476 10.977 -0.063 1.00 0.00 O ATOM 263 CB PHE A 17 1.434 10.889 -0.036 1.00 0.00 C ATOM 264 CG PHE A 17 2.312 10.442 -1.183 1.00 0.00 C ATOM 265 CD1 PHE A 17 1.789 10.370 -2.487 1.00 0.00 C ATOM 266 CD2 PHE A 17 3.650 10.072 -0.951 1.00 0.00 C ATOM 267 CE1 PHE A 17 2.609 9.954 -3.542 1.00 0.00 C ATOM 268 CE2 PHE A 17 4.462 9.631 -2.002 1.00 0.00 C ATOM 269 CZ PHE A 17 3.941 9.567 -3.304 1.00 0.00 C ATOM 0 H PHE A 17 0.336 12.601 1.662 1.00 0.00 H new ATOM 0 HA PHE A 17 1.060 12.641 -1.192 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.061 11.105 0.829 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.773 10.069 0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.759 10.635 -2.673 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.054 10.129 0.049 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.216 9.930 -4.548 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.485 9.341 -1.812 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.560 9.222 -4.119 1.00 0.00 H new ATOM 279 N LYS A 18 -1.248 12.139 -1.948 1.00 0.00 N ATOM 280 CA LYS A 18 -2.571 11.787 -2.484 1.00 0.00 C ATOM 281 C LYS A 18 -2.802 10.297 -2.448 1.00 0.00 C ATOM 282 O LYS A 18 -1.893 9.553 -2.803 1.00 0.00 O ATOM 283 CB LYS A 18 -2.664 12.248 -3.933 1.00 0.00 C ATOM 284 CG LYS A 18 -2.293 13.718 -4.187 1.00 0.00 C ATOM 285 CD LYS A 18 -1.603 13.909 -5.552 1.00 0.00 C ATOM 286 CE LYS A 18 -0.093 13.705 -5.487 1.00 0.00 C ATOM 287 NZ LYS A 18 0.548 14.790 -4.710 1.00 0.00 N ATOM 0 H LYS A 18 -0.704 12.746 -2.561 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.324 12.277 -1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.013 11.618 -4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.683 12.083 -4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.193 14.332 -4.146 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.632 14.068 -3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.029 13.208 -6.270 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.813 14.912 -5.923 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.130 12.742 -5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.320 13.680 -6.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.559 14.838 -4.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.094 15.697 -4.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.441 14.599 -3.693 1.00 0.00 H new ATOM 301 N VAL A 19 -4.023 9.920 -2.097 1.00 0.00 N ATOM 302 CA VAL A 19 -4.458 8.542 -1.932 1.00 0.00 C ATOM 303 C VAL A 19 -5.969 8.466 -2.116 1.00 0.00 C ATOM 304 O VAL A 19 -6.765 9.028 -1.380 1.00 0.00 O ATOM 305 CB VAL A 19 -4.008 7.987 -0.565 1.00 0.00 C ATOM 306 CG1 VAL A 19 -4.888 6.822 -0.108 1.00 0.00 C ATOM 307 CG2 VAL A 19 -2.591 7.425 -0.642 1.00 0.00 C ATOM 0 H VAL A 19 -4.767 10.593 -1.912 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.991 7.915 -2.692 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.075 8.825 0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.538 6.459 0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.920 7.160 -0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.833 6.016 -0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.299 7.040 0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.559 6.618 -1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.902 8.215 -0.942 1.00 0.00 H new ATOM 317 N ASP A 20 -6.403 7.739 -3.118 1.00 0.00 N ATOM 318 CA ASP A 20 -7.797 7.424 -3.373 1.00 0.00 C ATOM 319 C ASP A 20 -8.226 6.092 -2.748 1.00 0.00 C ATOM 320 O ASP A 20 -7.817 4.995 -3.136 1.00 0.00 O ATOM 321 CB ASP A 20 -8.047 7.441 -4.878 1.00 0.00 C ATOM 322 CG ASP A 20 -6.895 6.899 -5.745 1.00 0.00 C ATOM 323 OD1 ASP A 20 -5.992 6.183 -5.249 1.00 0.00 O ATOM 324 OD2 ASP A 20 -6.902 7.300 -6.920 1.00 0.00 O ATOM 0 H ASP A 20 -5.772 7.332 -3.809 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.411 8.186 -2.894 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.943 6.856 -5.087 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.257 8.466 -5.183 1.00 0.00 H new ATOM 329 N VAL A 21 -9.149 6.168 -1.787 1.00 0.00 N ATOM 330 CA VAL A 21 -9.706 4.964 -1.153 1.00 0.00 C ATOM 331 C VAL A 21 -10.349 4.017 -2.159 1.00 0.00 C ATOM 332 O VAL A 21 -10.134 2.811 -2.097 1.00 0.00 O ATOM 333 CB VAL A 21 -10.711 5.315 -0.051 1.00 0.00 C ATOM 334 CG1 VAL A 21 -12.034 5.891 -0.581 1.00 0.00 C ATOM 335 CG2 VAL A 21 -11.063 4.071 0.761 1.00 0.00 C ATOM 0 H VAL A 21 -9.527 7.045 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.859 4.447 -0.702 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.216 6.075 0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.695 6.115 0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.835 6.805 -1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.512 5.162 -1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.778 4.335 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.503 3.320 0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.160 3.668 1.219 1.00 0.00 H new ATOM 345 N ALA A 22 -11.156 4.562 -3.076 1.00 0.00 N ATOM 346 CA ALA A 22 -11.920 3.806 -4.059 1.00 0.00 C ATOM 347 C ALA A 22 -10.978 2.889 -4.825 1.00 0.00 C ATOM 348 O ALA A 22 -11.202 1.684 -4.876 1.00 0.00 O ATOM 349 CB ALA A 22 -12.656 4.770 -5.001 1.00 0.00 C ATOM 0 H ALA A 22 -11.295 5.570 -3.152 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.670 3.192 -3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.226 4.199 -5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.335 5.397 -4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.931 5.400 -5.516 1.00 0.00 H new ATOM 355 N THR A 23 -9.883 3.459 -5.328 1.00 0.00 N ATOM 356 CA THR A 23 -8.856 2.695 -6.033 1.00 0.00 C ATOM 357 C THR A 23 -8.199 1.677 -5.120 1.00 0.00 C ATOM 358 O THR A 23 -8.055 0.516 -5.511 1.00 0.00 O ATOM 359 CB THR A 23 -7.797 3.619 -6.614 1.00 0.00 C ATOM 360 OG1 THR A 23 -8.455 4.401 -7.572 1.00 0.00 O ATOM 361 CG2 THR A 23 -6.692 2.855 -7.344 1.00 0.00 C ATOM 0 H THR A 23 -9.684 4.457 -5.259 1.00 0.00 H new ATOM 0 HA THR A 23 -9.350 2.163 -6.846 1.00 0.00 H new ATOM 0 HB THR A 23 -7.337 4.188 -5.806 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.817 5.022 -7.982 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.962 3.561 -7.740 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.200 2.175 -6.649 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.126 2.284 -8.165 1.00 0.00 H new ATOM 369 N ALA A 24 -7.800 2.085 -3.913 1.00 0.00 N ATOM 370 CA ALA A 24 -7.168 1.186 -2.960 1.00 0.00 C ATOM 371 C ALA A 24 -8.023 -0.053 -2.690 1.00 0.00 C ATOM 372 O ALA A 24 -7.536 -1.171 -2.750 1.00 0.00 O ATOM 373 CB ALA A 24 -6.912 1.939 -1.666 1.00 0.00 C ATOM 0 H ALA A 24 -7.907 3.042 -3.576 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.226 0.839 -3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.438 1.273 -0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.256 2.787 -1.862 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.858 2.298 -1.261 1.00 0.00 H new ATOM 379 N GLN A 25 -9.310 0.120 -2.422 1.00 0.00 N ATOM 380 CA GLN A 25 -10.225 -1.000 -2.224 1.00 0.00 C ATOM 381 C GLN A 25 -10.424 -1.821 -3.505 1.00 0.00 C ATOM 382 O GLN A 25 -10.460 -3.054 -3.446 1.00 0.00 O ATOM 383 CB GLN A 25 -11.555 -0.461 -1.709 1.00 0.00 C ATOM 384 CG GLN A 25 -12.557 -1.605 -1.486 1.00 0.00 C ATOM 385 CD GLN A 25 -13.622 -1.228 -0.476 1.00 0.00 C ATOM 386 OE1 GLN A 25 -14.780 -1.044 -0.797 1.00 0.00 O ATOM 387 NE2 GLN A 25 -13.266 -1.128 0.786 1.00 0.00 N ATOM 0 H GLN A 25 -9.750 1.036 -2.336 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.790 -1.679 -1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.397 0.078 -0.775 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.964 0.253 -2.423 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.029 -1.865 -2.433 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.026 -2.492 -1.141 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.294 -1.282 1.056 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.961 -0.896 1.495 1.00 0.00 H new ATOM 396 N ALA A 26 -10.536 -1.142 -4.652 1.00 0.00 N ATOM 397 CA ALA A 26 -10.734 -1.775 -5.949 1.00 0.00 C ATOM 398 C ALA A 26 -9.625 -2.792 -6.210 1.00 0.00 C ATOM 399 O ALA A 26 -9.896 -3.983 -6.370 1.00 0.00 O ATOM 400 CB ALA A 26 -10.790 -0.726 -7.071 1.00 0.00 C ATOM 0 H ALA A 26 -10.490 -0.124 -4.700 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.690 -2.298 -5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.938 -1.225 -8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.617 -0.040 -6.887 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.854 -0.168 -7.094 1.00 0.00 H new ATOM 406 N GLN A 27 -8.369 -2.337 -6.181 1.00 0.00 N ATOM 407 CA GLN A 27 -7.218 -3.203 -6.397 1.00 0.00 C ATOM 408 C GLN A 27 -7.089 -4.268 -5.303 1.00 0.00 C ATOM 409 O GLN A 27 -6.737 -5.398 -5.623 1.00 0.00 O ATOM 410 CB GLN A 27 -5.941 -2.384 -6.528 1.00 0.00 C ATOM 411 CG GLN A 27 -5.480 -1.882 -5.167 1.00 0.00 C ATOM 412 CD GLN A 27 -4.466 -0.789 -5.221 1.00 0.00 C ATOM 413 OE1 GLN A 27 -3.534 -0.758 -4.448 1.00 0.00 O ATOM 414 NE2 GLN A 27 -4.673 0.181 -6.070 1.00 0.00 N ATOM 0 H GLN A 27 -8.127 -1.361 -6.007 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.378 -3.732 -7.336 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.158 -2.992 -6.981 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.113 -1.538 -7.194 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.348 -1.528 -4.612 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.063 -2.719 -4.607 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.464 0.136 -6.713 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.044 0.984 -6.090 1.00 0.00 H new ATOM 423 N ALA A 28 -7.397 -3.922 -4.045 1.00 0.00 N ATOM 424 CA ALA A 28 -7.314 -4.830 -2.906 1.00 0.00 C ATOM 425 C ALA A 28 -8.143 -6.084 -3.167 1.00 0.00 C ATOM 426 O ALA A 28 -7.624 -7.201 -3.221 1.00 0.00 O ATOM 427 CB ALA A 28 -7.809 -4.129 -1.633 1.00 0.00 C ATOM 0 H ALA A 28 -7.715 -2.986 -3.793 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.272 -5.120 -2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.742 -4.816 -0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.191 -3.253 -1.437 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.845 -3.819 -1.768 1.00 0.00 H new ATOM 433 N ARG A 29 -9.449 -5.894 -3.393 1.00 0.00 N ATOM 434 CA ARG A 29 -10.339 -7.010 -3.707 1.00 0.00 C ATOM 435 C ARG A 29 -10.001 -7.651 -5.046 1.00 0.00 C ATOM 436 O ARG A 29 -10.175 -8.856 -5.196 1.00 0.00 O ATOM 437 CB ARG A 29 -11.787 -6.519 -3.693 1.00 0.00 C ATOM 438 CG ARG A 29 -12.768 -7.699 -3.657 1.00 0.00 C ATOM 439 CD ARG A 29 -14.169 -7.177 -3.344 1.00 0.00 C ATOM 440 NE ARG A 29 -15.201 -8.201 -3.576 1.00 0.00 N ATOM 441 CZ ARG A 29 -16.464 -8.096 -3.213 1.00 0.00 C ATOM 442 NH1 ARG A 29 -16.900 -7.043 -2.582 1.00 0.00 N ATOM 443 NH2 ARG A 29 -17.313 -9.043 -3.487 1.00 0.00 N ATOM 0 H ARG A 29 -9.907 -4.983 -3.364 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.204 -7.780 -2.947 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.950 -5.880 -2.825 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.977 -5.910 -4.577 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.766 -8.219 -4.615 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.459 -8.422 -2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.210 -6.849 -2.305 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.378 -6.304 -3.963 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.917 -9.056 -4.054 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.260 -6.280 -2.360 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.881 -6.981 -2.310 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -17.004 -9.876 -3.987 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -18.288 -8.952 -3.202 1.00 0.00 H new ATOM 457 N LYS A 30 -9.554 -6.854 -6.023 1.00 0.00 N ATOM 458 CA LYS A 30 -9.190 -7.328 -7.359 1.00 0.00 C ATOM 459 C LYS A 30 -8.070 -8.358 -7.297 1.00 0.00 C ATOM 460 O LYS A 30 -8.218 -9.431 -7.882 1.00 0.00 O ATOM 461 CB LYS A 30 -8.780 -6.143 -8.251 1.00 0.00 C ATOM 462 CG LYS A 30 -8.397 -6.571 -9.668 1.00 0.00 C ATOM 463 CD LYS A 30 -9.656 -6.839 -10.501 1.00 0.00 C ATOM 464 CE LYS A 30 -9.300 -7.610 -11.772 1.00 0.00 C ATOM 465 NZ LYS A 30 -8.960 -9.028 -11.467 1.00 0.00 N ATOM 0 H LYS A 30 -9.434 -5.848 -5.904 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.064 -7.813 -7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.604 -5.431 -8.302 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.938 -5.624 -7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.798 -5.793 -10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.780 -7.469 -9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.375 -7.408 -9.912 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.134 -5.895 -10.763 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.139 -7.576 -12.467 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.456 -7.130 -12.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.988 -9.588 -12.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.006 -9.076 -11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.648 -9.412 -10.788 1.00 0.00 H new ATOM 479 N ALA A 31 -6.923 -7.965 -6.740 1.00 0.00 N ATOM 480 CA ALA A 31 -5.772 -8.836 -6.560 1.00 0.00 C ATOM 481 C ALA A 31 -6.100 -10.012 -5.632 1.00 0.00 C ATOM 482 O ALA A 31 -5.625 -11.122 -5.880 1.00 0.00 O ATOM 483 CB ALA A 31 -4.580 -8.021 -6.029 1.00 0.00 C ATOM 0 H ALA A 31 -6.771 -7.016 -6.398 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.502 -9.259 -7.528 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.720 -8.678 -5.896 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.330 -7.236 -6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.844 -7.571 -5.072 1.00 0.00 H new ATOM 489 N GLY A 32 -6.928 -9.766 -4.610 1.00 0.00 N ATOM 490 CA GLY A 32 -7.288 -10.781 -3.637 1.00 0.00 C ATOM 491 C GLY A 32 -6.127 -11.055 -2.694 1.00 0.00 C ATOM 492 O GLY A 32 -5.217 -10.237 -2.558 1.00 0.00 O ATOM 0 H GLY A 32 -7.361 -8.858 -4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.157 -10.453 -3.067 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.571 -11.700 -4.150 1.00 0.00 H new ATOM 496 N LEU A 33 -6.148 -12.224 -2.059 1.00 0.00 N ATOM 497 CA LEU A 33 -5.191 -12.635 -1.029 1.00 0.00 C ATOM 498 C LEU A 33 -4.328 -13.804 -1.515 1.00 0.00 C ATOM 499 O LEU A 33 -4.058 -14.759 -0.786 1.00 0.00 O ATOM 500 CB LEU A 33 -5.938 -13.006 0.253 1.00 0.00 C ATOM 501 CG LEU A 33 -7.089 -12.084 0.678 1.00 0.00 C ATOM 502 CD1 LEU A 33 -8.088 -12.920 1.440 1.00 0.00 C ATOM 503 CD2 LEU A 33 -6.590 -10.916 1.513 1.00 0.00 C ATOM 0 H LEU A 33 -6.853 -12.936 -2.251 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.524 -11.799 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.337 -14.013 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.215 -13.044 1.068 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.560 -11.647 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.921 -12.292 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.459 -13.719 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.606 -13.354 2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.432 -10.285 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.102 -11.293 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.877 -10.331 0.931 1.00 0.00 H new ATOM 515 N THR A 34 -3.928 -13.739 -2.782 1.00 0.00 N ATOM 516 CA THR A 34 -3.146 -14.800 -3.402 1.00 0.00 C ATOM 517 C THR A 34 -2.265 -14.230 -4.507 1.00 0.00 C ATOM 518 O THR A 34 -2.728 -13.622 -5.481 1.00 0.00 O ATOM 519 CB THR A 34 -4.044 -15.911 -3.977 1.00 0.00 C ATOM 520 OG1 THR A 34 -4.945 -16.469 -3.051 1.00 0.00 O ATOM 521 CG2 THR A 34 -3.186 -17.060 -4.516 1.00 0.00 C ATOM 0 H THR A 34 -4.135 -12.956 -3.402 1.00 0.00 H new ATOM 0 HA THR A 34 -2.520 -15.240 -2.625 1.00 0.00 H new ATOM 0 HB THR A 34 -4.623 -15.421 -4.760 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.478 -17.163 -3.491 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.833 -17.839 -4.920 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.532 -16.687 -5.304 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.582 -17.473 -3.708 1.00 0.00 H new ATOM 529 N THR A 35 -0.963 -14.460 -4.394 1.00 0.00 N ATOM 530 CA THR A 35 0.016 -14.064 -5.399 1.00 0.00 C ATOM 531 C THR A 35 0.901 -15.217 -5.818 1.00 0.00 C ATOM 532 O THR A 35 1.119 -16.145 -5.047 1.00 0.00 O ATOM 533 CB THR A 35 0.885 -12.937 -4.879 1.00 0.00 C ATOM 534 OG1 THR A 35 1.577 -12.451 -6.011 1.00 0.00 O ATOM 535 CG2 THR A 35 1.934 -13.389 -3.850 1.00 0.00 C ATOM 0 H THR A 35 -0.551 -14.934 -3.590 1.00 0.00 H new ATOM 0 HA THR A 35 -0.546 -13.729 -6.271 1.00 0.00 H new ATOM 0 HB THR A 35 0.253 -12.204 -4.377 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.174 -11.722 -5.741 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.518 -12.528 -3.524 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.432 -13.834 -2.991 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.596 -14.125 -4.305 1.00 0.00 H new ATOM 543 N GLY A 36 1.439 -15.124 -7.030 1.00 0.00 N ATOM 544 CA GLY A 36 2.353 -16.129 -7.559 1.00 0.00 C ATOM 545 C GLY A 36 2.479 -16.102 -9.073 1.00 0.00 C ATOM 546 O GLY A 36 2.649 -17.142 -9.689 1.00 0.00 O ATOM 0 H GLY A 36 1.254 -14.352 -7.671 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.339 -15.979 -7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.012 -17.117 -7.249 1.00 0.00 H new ATOM 550 N LYS A 37 2.341 -14.917 -9.673 1.00 0.00 N ATOM 551 CA LYS A 37 2.409 -14.692 -11.125 1.00 0.00 C ATOM 552 C LYS A 37 3.579 -13.800 -11.505 1.00 0.00 C ATOM 553 O LYS A 37 4.336 -14.111 -12.409 1.00 0.00 O ATOM 554 CB LYS A 37 1.085 -14.133 -11.662 1.00 0.00 C ATOM 555 CG LYS A 37 0.390 -13.119 -10.731 1.00 0.00 C ATOM 556 CD LYS A 37 -0.643 -13.776 -9.805 1.00 0.00 C ATOM 557 CE LYS A 37 -1.792 -12.808 -9.520 1.00 0.00 C ATOM 558 NZ LYS A 37 -2.545 -13.220 -8.305 1.00 0.00 N ATOM 0 H LYS A 37 2.173 -14.059 -9.148 1.00 0.00 H new ATOM 0 HA LYS A 37 2.578 -15.661 -11.595 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.271 -13.655 -12.624 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.403 -14.963 -11.846 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.142 -12.612 -10.127 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.102 -12.356 -11.334 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.030 -14.684 -10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.167 -14.072 -8.870 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.399 -11.800 -9.385 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.466 -12.775 -10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.525 -12.879 -8.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.543 -14.257 -8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.093 -12.812 -7.462 1.00 0.00 H new ATOM 572 N SER A 38 3.742 -12.701 -10.774 1.00 0.00 N ATOM 573 CA SER A 38 4.808 -11.729 -11.015 1.00 0.00 C ATOM 574 C SER A 38 5.464 -11.280 -9.728 1.00 0.00 C ATOM 575 O SER A 38 6.647 -11.532 -9.498 1.00 0.00 O ATOM 576 CB SER A 38 4.251 -10.533 -11.755 1.00 0.00 C ATOM 577 OG SER A 38 3.149 -10.004 -11.037 1.00 0.00 O ATOM 0 H SER A 38 3.135 -12.457 -9.992 1.00 0.00 H new ATOM 0 HA SER A 38 5.572 -12.216 -11.621 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.023 -9.772 -11.871 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.939 -10.825 -12.758 1.00 0.00 H new ATOM 0 HG SER A 38 2.316 -10.372 -11.399 1.00 0.00 H new ATOM 583 N GLY A 39 4.703 -10.595 -8.885 1.00 0.00 N ATOM 584 CA GLY A 39 5.205 -10.058 -7.651 1.00 0.00 C ATOM 585 C GLY A 39 4.158 -9.284 -6.908 1.00 0.00 C ATOM 586 O GLY A 39 4.575 -8.406 -6.169 1.00 0.00 O ATOM 0 H GLY A 39 3.715 -10.401 -9.050 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.568 -10.871 -7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.057 -9.410 -7.858 1.00 0.00 H new ATOM 590 N ASP A 40 2.869 -9.542 -7.137 1.00 0.00 N ATOM 591 CA ASP A 40 1.762 -8.879 -6.470 1.00 0.00 C ATOM 592 C ASP A 40 0.438 -9.689 -6.581 1.00 0.00 C ATOM 593 O ASP A 40 0.221 -10.478 -7.522 1.00 0.00 O ATOM 594 CB ASP A 40 1.605 -7.432 -6.925 1.00 0.00 C ATOM 595 CG ASP A 40 1.584 -7.356 -8.433 1.00 0.00 C ATOM 596 OD1 ASP A 40 0.499 -7.640 -8.977 1.00 0.00 O ATOM 597 OD2 ASP A 40 2.676 -7.063 -8.968 1.00 0.00 O ATOM 0 H ASP A 40 2.564 -10.241 -7.814 1.00 0.00 H new ATOM 0 HA ASP A 40 2.007 -8.843 -5.409 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.683 -7.014 -6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.426 -6.830 -6.535 1.00 0.00 H new ATOM 602 N PRO A 41 -0.429 -9.585 -5.552 1.00 0.00 N ATOM 603 CA PRO A 41 -0.188 -8.877 -4.283 1.00 0.00 C ATOM 604 C PRO A 41 0.932 -9.471 -3.430 1.00 0.00 C ATOM 605 O PRO A 41 1.603 -10.398 -3.839 1.00 0.00 O ATOM 606 CB PRO A 41 -1.521 -8.911 -3.534 1.00 0.00 C ATOM 607 CG PRO A 41 -2.186 -10.180 -4.060 1.00 0.00 C ATOM 608 CD PRO A 41 -1.697 -10.291 -5.503 1.00 0.00 C ATOM 0 HA PRO A 41 0.155 -7.864 -4.495 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.375 -8.951 -2.455 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.122 -8.026 -3.742 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.898 -11.053 -3.474 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.273 -10.109 -4.012 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.574 -11.334 -5.794 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.416 -9.850 -6.193 1.00 0.00 H new ATOM 616 N HIS A 42 1.229 -8.906 -2.270 1.00 0.00 N ATOM 617 CA HIS A 42 2.299 -9.446 -1.413 1.00 0.00 C ATOM 618 C HIS A 42 1.724 -9.821 -0.063 1.00 0.00 C ATOM 619 O HIS A 42 0.767 -9.200 0.386 1.00 0.00 O ATOM 620 CB HIS A 42 3.426 -8.429 -1.233 1.00 0.00 C ATOM 621 CG HIS A 42 3.637 -7.481 -2.378 1.00 0.00 C ATOM 622 ND1 HIS A 42 2.996 -6.271 -2.542 1.00 0.00 N ATOM 623 CD2 HIS A 42 4.448 -7.688 -3.447 1.00 0.00 C ATOM 624 CE1 HIS A 42 3.433 -5.732 -3.696 1.00 0.00 C ATOM 625 NE2 HIS A 42 4.315 -6.578 -4.259 1.00 0.00 N ATOM 0 H HIS A 42 0.757 -8.083 -1.895 1.00 0.00 H new ATOM 0 HA HIS A 42 2.715 -10.331 -1.895 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.224 -7.845 -0.335 1.00 0.00 H new ATOM 0 HB3 HIS A 42 4.355 -8.971 -1.058 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.073 -8.550 -3.627 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.127 -4.779 -4.102 1.00 0.00 H new ATOM 0 HE2 HIS A 42 4.805 -6.425 -5.140 1.00 0.00 H new ATOM 634 N ARG A 43 2.332 -10.800 0.604 1.00 0.00 N ATOM 635 CA ARG A 43 1.907 -11.255 1.931 1.00 0.00 C ATOM 636 C ARG A 43 2.398 -10.294 3.000 1.00 0.00 C ATOM 637 O ARG A 43 3.591 -10.253 3.266 1.00 0.00 O ATOM 638 CB ARG A 43 2.470 -12.657 2.196 1.00 0.00 C ATOM 639 CG ARG A 43 1.497 -13.736 1.725 1.00 0.00 C ATOM 640 CD ARG A 43 0.307 -13.915 2.688 1.00 0.00 C ATOM 641 NE ARG A 43 0.747 -14.256 4.047 1.00 0.00 N ATOM 642 CZ ARG A 43 1.154 -15.443 4.458 1.00 0.00 C ATOM 643 NH1 ARG A 43 1.151 -16.473 3.658 1.00 0.00 N ATOM 644 NH2 ARG A 43 1.583 -15.614 5.671 1.00 0.00 N ATOM 0 H ARG A 43 3.139 -11.305 0.238 1.00 0.00 H new ATOM 0 HA ARG A 43 0.818 -11.287 1.963 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.424 -12.773 1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.666 -12.779 3.261 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.123 -13.477 0.734 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.028 -14.683 1.628 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.278 -12.996 2.716 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.349 -14.700 2.312 1.00 0.00 H new ATOM 0 HE ARG A 43 0.737 -13.506 4.738 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.830 -16.370 2.695 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.469 -17.381 3.995 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.608 -14.826 6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.895 -16.536 5.977 1.00 0.00 H new ATOM 658 N TYR A 44 1.484 -9.545 3.598 1.00 0.00 N ATOM 659 CA TYR A 44 1.792 -8.656 4.708 1.00 0.00 C ATOM 660 C TYR A 44 1.707 -9.425 6.039 1.00 0.00 C ATOM 661 O TYR A 44 0.703 -10.056 6.358 1.00 0.00 O ATOM 662 CB TYR A 44 0.845 -7.460 4.653 1.00 0.00 C ATOM 663 CG TYR A 44 1.157 -6.371 5.646 1.00 0.00 C ATOM 664 CD1 TYR A 44 1.019 -6.581 7.034 1.00 0.00 C ATOM 665 CD2 TYR A 44 1.595 -5.129 5.161 1.00 0.00 C ATOM 666 CE1 TYR A 44 1.330 -5.557 7.927 1.00 0.00 C ATOM 667 CE2 TYR A 44 1.958 -4.111 6.049 1.00 0.00 C ATOM 668 CZ TYR A 44 1.824 -4.348 7.427 1.00 0.00 C ATOM 669 OH TYR A 44 2.076 -3.391 8.325 1.00 0.00 O ATOM 0 H TYR A 44 0.501 -9.537 3.325 1.00 0.00 H new ATOM 0 HA TYR A 44 2.812 -8.280 4.632 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.872 -7.037 3.649 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.173 -7.810 4.825 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.673 -7.534 7.405 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.652 -4.958 4.096 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.192 -5.695 8.989 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.332 -3.166 5.684 1.00 0.00 H new ATOM 0 HH TYR A 44 2.620 -3.760 9.052 1.00 0.00 H new ATOM 679 N PHE A 45 2.761 -9.367 6.843 1.00 0.00 N ATOM 680 CA PHE A 45 2.836 -10.012 8.168 1.00 0.00 C ATOM 681 C PHE A 45 3.412 -9.083 9.243 1.00 0.00 C ATOM 682 O PHE A 45 4.284 -9.462 10.018 1.00 0.00 O ATOM 683 CB PHE A 45 3.618 -11.327 8.046 1.00 0.00 C ATOM 684 CG PHE A 45 4.847 -11.251 7.152 1.00 0.00 C ATOM 685 CD1 PHE A 45 5.779 -10.193 7.274 1.00 0.00 C ATOM 686 CD2 PHE A 45 5.035 -12.230 6.160 1.00 0.00 C ATOM 687 CE1 PHE A 45 6.888 -10.117 6.424 1.00 0.00 C ATOM 688 CE2 PHE A 45 6.152 -12.157 5.309 1.00 0.00 C ATOM 689 CZ PHE A 45 7.078 -11.103 5.444 1.00 0.00 C ATOM 0 H PHE A 45 3.612 -8.861 6.596 1.00 0.00 H new ATOM 0 HA PHE A 45 1.824 -10.238 8.503 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.928 -11.644 9.042 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.951 -12.097 7.660 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.633 -9.437 8.031 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.324 -13.035 6.052 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.593 -9.305 6.522 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.301 -12.911 4.550 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.937 -11.054 4.791 1.00 0.00 H new ATOM 699 N ALA A 46 2.971 -7.824 9.252 1.00 0.00 N ATOM 700 CA ALA A 46 3.500 -6.820 10.175 1.00 0.00 C ATOM 701 C ALA A 46 5.032 -6.678 10.085 1.00 0.00 C ATOM 702 O ALA A 46 5.726 -6.545 11.094 1.00 0.00 O ATOM 703 CB ALA A 46 2.987 -7.148 11.582 1.00 0.00 C ATOM 0 H ALA A 46 2.245 -7.475 8.627 1.00 0.00 H new ATOM 0 HA ALA A 46 3.136 -5.831 9.896 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.369 -6.412 12.289 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.897 -7.124 11.587 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.330 -8.141 11.872 1.00 0.00 H new ATOM 709 N GLY A 47 5.553 -6.668 8.855 1.00 0.00 N ATOM 710 CA GLY A 47 6.998 -6.593 8.627 1.00 0.00 C ATOM 711 C GLY A 47 7.529 -5.177 8.794 1.00 0.00 C ATOM 712 O GLY A 47 8.636 -4.971 9.278 1.00 0.00 O ATOM 0 H GLY A 47 4.995 -6.711 8.002 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.510 -7.257 9.324 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.225 -6.949 7.622 1.00 0.00 H new ATOM 716 N ASP A 48 6.687 -4.185 8.513 1.00 0.00 N ATOM 717 CA ASP A 48 7.060 -2.775 8.605 1.00 0.00 C ATOM 718 C ASP A 48 6.737 -2.190 9.982 1.00 0.00 C ATOM 719 O ASP A 48 6.722 -0.974 10.179 1.00 0.00 O ATOM 720 CB ASP A 48 6.373 -1.985 7.509 1.00 0.00 C ATOM 721 CG ASP A 48 6.099 -2.803 6.250 1.00 0.00 C ATOM 722 OD1 ASP A 48 7.046 -2.996 5.465 1.00 0.00 O ATOM 723 OD2 ASP A 48 4.956 -3.300 6.166 1.00 0.00 O ATOM 0 H ASP A 48 5.724 -4.337 8.214 1.00 0.00 H new ATOM 0 HA ASP A 48 8.139 -2.703 8.472 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.430 -1.593 7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.992 -1.127 7.248 1.00 0.00 H new ATOM 728 N HIS A 49 6.431 -3.060 10.954 1.00 0.00 N ATOM 729 CA HIS A 49 6.071 -2.698 12.325 1.00 0.00 C ATOM 730 C HIS A 49 4.962 -1.635 12.375 1.00 0.00 C ATOM 731 O HIS A 49 5.049 -0.624 13.078 1.00 0.00 O ATOM 732 CB HIS A 49 7.352 -2.251 13.047 1.00 0.00 C ATOM 733 CG HIS A 49 7.284 -2.356 14.549 1.00 0.00 C ATOM 734 ND1 HIS A 49 8.012 -1.564 15.411 1.00 0.00 N ATOM 735 CD2 HIS A 49 6.538 -3.239 15.286 1.00 0.00 C ATOM 736 CE1 HIS A 49 7.716 -1.964 16.667 1.00 0.00 C ATOM 737 NE2 HIS A 49 6.819 -2.978 16.615 1.00 0.00 N ATOM 0 H HIS A 49 6.428 -4.068 10.799 1.00 0.00 H new ATOM 0 HA HIS A 49 5.650 -3.563 12.837 1.00 0.00 H new ATOM 0 HB2 HIS A 49 8.186 -2.854 12.689 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.567 -1.217 12.776 1.00 0.00 H new ATOM 0 HD2 HIS A 49 5.863 -3.991 14.904 1.00 0.00 H new ATOM 0 HE1 HIS A 49 8.130 -1.542 17.571 1.00 0.00 H new ATOM 0 HE2 HIS A 49 6.420 -3.465 17.417 1.00 0.00 H new ATOM 746 N ILE A 50 3.882 -1.887 11.643 1.00 0.00 N ATOM 747 CA ILE A 50 2.762 -0.949 11.550 1.00 0.00 C ATOM 748 C ILE A 50 1.674 -1.341 12.544 1.00 0.00 C ATOM 749 O ILE A 50 1.645 -2.466 13.031 1.00 0.00 O ATOM 750 CB ILE A 50 2.199 -0.864 10.122 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.330 -0.881 9.080 1.00 0.00 C ATOM 752 CG2 ILE A 50 1.353 0.402 9.984 1.00 0.00 C ATOM 753 CD1 ILE A 50 2.865 -0.623 7.630 1.00 0.00 C ATOM 0 H ILE A 50 3.756 -2.741 11.099 1.00 0.00 H new ATOM 0 HA ILE A 50 3.133 0.045 11.802 1.00 0.00 H new ATOM 0 HB ILE A 50 1.571 -1.736 9.938 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.069 -0.127 9.351 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.831 -1.848 9.121 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.953 0.464 8.972 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.530 0.369 10.698 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.972 1.277 10.184 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.725 -0.652 6.961 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.150 -1.391 7.335 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.391 0.357 7.569 1.00 0.00 H new ATOM 765 N ARG A 51 0.745 -0.426 12.832 1.00 0.00 N ATOM 766 CA ARG A 51 -0.397 -0.611 13.691 1.00 0.00 C ATOM 767 C ARG A 51 -1.584 0.108 13.053 1.00 0.00 C ATOM 768 O ARG A 51 -1.608 1.317 12.825 1.00 0.00 O ATOM 769 CB ARG A 51 -0.015 -0.180 15.112 1.00 0.00 C ATOM 770 CG ARG A 51 -0.389 1.256 15.454 1.00 0.00 C ATOM 771 CD ARG A 51 0.349 2.284 14.574 1.00 0.00 C ATOM 772 NE ARG A 51 1.680 2.615 15.092 1.00 0.00 N ATOM 773 CZ ARG A 51 2.017 3.756 15.657 1.00 0.00 C ATOM 774 NH1 ARG A 51 1.155 4.731 15.752 1.00 0.00 N ATOM 775 NH2 ARG A 51 3.213 3.943 16.124 1.00 0.00 N ATOM 0 H ARG A 51 0.785 0.516 12.442 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.709 -1.650 13.794 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.499 -0.848 15.824 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.060 -0.303 15.240 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.465 1.386 15.335 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.159 1.448 16.502 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.444 1.889 13.562 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.247 3.194 14.506 1.00 0.00 H new ATOM 0 HE ARG A 51 2.405 1.903 15.008 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.210 4.614 15.387 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.426 5.611 16.191 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.909 3.200 16.057 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.457 4.833 16.559 1.00 0.00 H new ATOM 789 N TRP A 52 -2.561 -0.664 12.707 1.00 0.00 N ATOM 790 CA TRP A 52 -3.827 -0.089 12.236 1.00 0.00 C ATOM 791 C TRP A 52 -4.842 0.050 13.367 1.00 0.00 C ATOM 792 O TRP A 52 -5.973 0.450 13.126 1.00 0.00 O ATOM 793 CB TRP A 52 -4.352 -0.942 11.119 1.00 0.00 C ATOM 794 CG TRP A 52 -3.310 -1.345 10.125 1.00 0.00 C ATOM 795 CD1 TRP A 52 -2.458 -2.395 10.228 1.00 0.00 C ATOM 796 CD2 TRP A 52 -2.984 -0.671 8.883 1.00 0.00 C ATOM 797 NE1 TRP A 52 -1.630 -2.421 9.122 1.00 0.00 N ATOM 798 CE2 TRP A 52 -1.913 -1.377 8.274 1.00 0.00 C ATOM 799 CE3 TRP A 52 -3.469 0.481 8.227 1.00 0.00 C ATOM 800 CZ2 TRP A 52 -1.353 -0.968 7.069 1.00 0.00 C ATOM 801 CZ3 TRP A 52 -2.936 0.891 6.997 1.00 0.00 C ATOM 802 CH2 TRP A 52 -1.899 0.155 6.413 1.00 0.00 C ATOM 0 H TRP A 52 -2.532 -1.683 12.732 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.650 0.921 11.867 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.804 -1.839 11.541 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -5.144 -0.400 10.602 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.431 -3.100 11.046 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.906 -3.121 8.957 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.263 1.056 8.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.515 -1.500 6.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.323 1.770 6.503 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.512 0.450 5.449 1.00 0.00 H new ATOM 813 N GLY A 53 -4.463 -0.332 14.592 1.00 0.00 N ATOM 814 CA GLY A 53 -5.364 -0.372 15.746 1.00 0.00 C ATOM 815 C GLY A 53 -6.374 -1.524 15.711 1.00 0.00 C ATOM 816 O GLY A 53 -6.984 -1.848 16.722 1.00 0.00 O ATOM 0 H GLY A 53 -3.511 -0.625 14.811 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.769 -0.452 16.656 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.907 0.571 15.803 1.00 0.00 H new ATOM 820 N VAL A 54 -6.578 -2.140 14.545 1.00 0.00 N ATOM 821 CA VAL A 54 -7.553 -3.209 14.361 1.00 0.00 C ATOM 822 C VAL A 54 -7.054 -4.440 15.078 1.00 0.00 C ATOM 823 O VAL A 54 -5.932 -4.862 14.836 1.00 0.00 O ATOM 824 CB VAL A 54 -7.752 -3.540 12.876 1.00 0.00 C ATOM 825 CG1 VAL A 54 -8.777 -4.679 12.704 1.00 0.00 C ATOM 826 CG2 VAL A 54 -8.198 -2.313 12.073 1.00 0.00 C ATOM 0 H VAL A 54 -6.064 -1.906 13.695 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.511 -2.880 14.765 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.787 -3.864 12.488 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.903 -4.898 11.644 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.420 -5.571 13.219 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.734 -4.374 13.128 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.328 -2.590 11.027 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.143 -1.942 12.470 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.441 -1.533 12.150 1.00 0.00 H new ATOM 836 N ASN A 55 -7.921 -5.103 15.835 1.00 0.00 N ATOM 837 CA ASN A 55 -7.552 -6.320 16.551 1.00 0.00 C ATOM 838 C ASN A 55 -7.123 -7.433 15.600 1.00 0.00 C ATOM 839 O ASN A 55 -6.391 -8.315 16.001 1.00 0.00 O ATOM 840 CB ASN A 55 -8.747 -6.827 17.361 1.00 0.00 C ATOM 841 CG ASN A 55 -9.356 -5.747 18.221 1.00 0.00 C ATOM 842 OD1 ASN A 55 -8.710 -5.106 19.021 1.00 0.00 O ATOM 843 ND2 ASN A 55 -10.630 -5.504 18.046 1.00 0.00 N ATOM 0 H ASN A 55 -8.891 -4.816 15.970 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.715 -6.067 17.201 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.504 -7.217 16.681 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.429 -7.656 17.994 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.088 -4.769 18.586 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -11.165 -6.049 17.370 1.00 0.00 H new ATOM 850 N ASN A 56 -7.603 -7.432 14.353 1.00 0.00 N ATOM 851 CA ASN A 56 -7.201 -8.419 13.351 1.00 0.00 C ATOM 852 C ASN A 56 -5.844 -8.077 12.730 1.00 0.00 C ATOM 853 O ASN A 56 -5.010 -8.950 12.546 1.00 0.00 O ATOM 854 CB ASN A 56 -8.278 -8.484 12.258 1.00 0.00 C ATOM 855 CG ASN A 56 -8.270 -9.798 11.498 1.00 0.00 C ATOM 856 OD1 ASN A 56 -7.707 -10.804 11.882 1.00 0.00 O ATOM 857 ND2 ASN A 56 -8.955 -9.841 10.385 1.00 0.00 N ATOM 0 H ASN A 56 -8.279 -6.749 14.012 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.099 -9.388 13.840 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.258 -8.339 12.712 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.127 -7.663 11.557 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.011 -10.710 9.854 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.434 -9.006 10.048 1.00 0.00 H new ATOM 864 N CYS A 57 -5.651 -6.800 12.376 1.00 0.00 N ATOM 865 CA CYS A 57 -4.414 -6.333 11.773 1.00 0.00 C ATOM 866 C CYS A 57 -3.268 -6.234 12.760 1.00 0.00 C ATOM 867 O CYS A 57 -2.207 -6.702 12.404 1.00 0.00 O ATOM 868 CB CYS A 57 -4.582 -4.963 11.133 1.00 0.00 C ATOM 869 SG CYS A 57 -5.871 -4.895 9.878 1.00 0.00 S ATOM 0 H CYS A 57 -6.351 -6.069 12.503 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.174 -7.084 11.021 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.808 -4.235 11.912 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.635 -4.665 10.683 1.00 0.00 H new ATOM 874 N ASP A 58 -3.443 -5.563 13.910 1.00 0.00 N ATOM 875 CA ASP A 58 -2.450 -5.415 14.994 1.00 0.00 C ATOM 876 C ASP A 58 -1.683 -6.718 15.250 1.00 0.00 C ATOM 877 O ASP A 58 -0.456 -6.736 15.337 1.00 0.00 O ATOM 878 CB ASP A 58 -3.153 -4.968 16.293 1.00 0.00 C ATOM 879 CG ASP A 58 -2.178 -4.386 17.323 1.00 0.00 C ATOM 880 OD1 ASP A 58 -1.178 -5.057 17.651 1.00 0.00 O ATOM 881 OD2 ASP A 58 -2.430 -3.236 17.743 1.00 0.00 O ATOM 0 H ASP A 58 -4.319 -5.086 14.122 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.731 -4.659 14.679 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.910 -4.221 16.053 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.673 -5.820 16.732 1.00 0.00 H new ATOM 886 N LYS A 59 -2.424 -7.832 15.293 1.00 0.00 N ATOM 887 CA LYS A 59 -1.856 -9.175 15.416 1.00 0.00 C ATOM 888 C LYS A 59 -0.764 -9.437 14.373 1.00 0.00 C ATOM 889 O LYS A 59 -0.846 -9.048 13.215 1.00 0.00 O ATOM 890 CB LYS A 59 -2.945 -10.247 15.282 1.00 0.00 C ATOM 891 CG LYS A 59 -4.102 -10.076 16.269 1.00 0.00 C ATOM 892 CD LYS A 59 -3.911 -10.799 17.600 1.00 0.00 C ATOM 893 CE LYS A 59 -3.204 -9.878 18.601 1.00 0.00 C ATOM 894 NZ LYS A 59 -3.005 -10.574 19.892 1.00 0.00 N ATOM 0 H LYS A 59 -3.443 -7.824 15.243 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.407 -9.231 16.408 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.340 -10.226 14.266 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.496 -11.229 15.429 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.242 -9.013 16.464 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.018 -10.438 15.802 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.878 -11.108 17.998 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.324 -11.705 17.450 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.241 -9.564 18.198 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.795 -8.975 18.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.525 -9.937 20.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.928 -10.853 20.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.422 -11.422 19.743 1.00 0.00 H new ATOM 908 N ALA A 60 0.224 -10.225 14.774 1.00 0.00 N ATOM 909 CA ALA A 60 1.342 -10.534 13.888 1.00 0.00 C ATOM 910 C ALA A 60 1.095 -11.815 13.103 1.00 0.00 C ATOM 911 O ALA A 60 1.180 -11.802 11.881 1.00 0.00 O ATOM 912 CB ALA A 60 2.624 -10.639 14.709 1.00 0.00 C ATOM 0 H ALA A 60 0.276 -10.659 15.696 1.00 0.00 H new ATOM 0 HA ALA A 60 1.444 -9.728 13.161 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.461 -10.870 14.049 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.811 -9.692 15.214 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.517 -11.431 15.450 1.00 0.00 H new ATOM 918 N ASP A 61 0.751 -12.898 13.820 1.00 0.00 N ATOM 919 CA ASP A 61 0.470 -14.218 13.228 1.00 0.00 C ATOM 920 C ASP A 61 -0.675 -14.189 12.206 1.00 0.00 C ATOM 921 O ASP A 61 -0.844 -15.105 11.405 1.00 0.00 O ATOM 922 CB ASP A 61 0.059 -15.213 14.321 1.00 0.00 C ATOM 923 CG ASP A 61 0.094 -16.660 13.812 1.00 0.00 C ATOM 924 OD1 ASP A 61 1.078 -17.007 13.121 1.00 0.00 O ATOM 925 OD2 ASP A 61 -0.839 -17.406 14.183 1.00 0.00 O ATOM 0 H ASP A 61 0.659 -12.882 14.836 1.00 0.00 H new ATOM 0 HA ASP A 61 1.391 -14.516 12.726 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.728 -15.111 15.176 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.945 -14.975 14.672 1.00 0.00 H new ATOM 930 N ALA A 62 -1.482 -13.120 12.247 1.00 0.00 N ATOM 931 CA ALA A 62 -2.469 -12.790 11.240 1.00 0.00 C ATOM 932 C ALA A 62 -1.921 -12.841 9.793 1.00 0.00 C ATOM 933 O ALA A 62 -0.735 -12.958 9.488 1.00 0.00 O ATOM 934 CB ALA A 62 -3.078 -11.402 11.538 1.00 0.00 C ATOM 0 H ALA A 62 -1.456 -12.446 13.012 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.241 -13.558 11.296 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.820 -11.159 10.777 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.555 -11.417 12.518 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.290 -10.649 11.529 1.00 0.00 H new ATOM 940 N ILE A 63 -2.832 -12.672 8.839 1.00 0.00 N ATOM 941 CA ILE A 63 -2.495 -12.823 7.426 1.00 0.00 C ATOM 942 C ILE A 63 -2.975 -11.604 6.686 1.00 0.00 C ATOM 943 O ILE A 63 -4.153 -11.508 6.363 1.00 0.00 O ATOM 944 CB ILE A 63 -3.053 -14.130 6.837 1.00 0.00 C ATOM 945 CG1 ILE A 63 -2.521 -15.366 7.594 1.00 0.00 C ATOM 946 CG2 ILE A 63 -2.661 -14.189 5.339 1.00 0.00 C ATOM 947 CD1 ILE A 63 -3.388 -15.765 8.800 1.00 0.00 C ATOM 0 H ILE A 63 -3.807 -12.431 9.017 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.413 -12.899 7.316 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.138 -14.142 6.943 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.462 -16.208 6.904 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.506 -15.164 7.937 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.046 -15.108 4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.086 -13.331 4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.575 -14.169 5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.956 -16.640 9.285 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.426 -14.939 9.510 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.397 -15.999 8.461 1.00 0.00 H new ATOM 959 N LEU A 64 -2.104 -10.631 6.470 1.00 0.00 N ATOM 960 CA LEU A 64 -2.477 -9.419 5.747 1.00 0.00 C ATOM 961 C LEU A 64 -1.923 -9.509 4.331 1.00 0.00 C ATOM 962 O LEU A 64 -1.163 -10.419 3.983 1.00 0.00 O ATOM 963 CB LEU A 64 -2.005 -8.178 6.532 1.00 0.00 C ATOM 964 CG LEU A 64 -2.761 -7.757 7.798 1.00 0.00 C ATOM 965 CD1 LEU A 64 -3.936 -6.873 7.402 1.00 0.00 C ATOM 966 CD2 LEU A 64 -3.232 -8.942 8.633 1.00 0.00 C ATOM 0 H LEU A 64 -1.134 -10.654 6.784 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.559 -9.320 5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.965 -8.344 6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.019 -7.331 5.845 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.069 -7.202 8.431 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.480 -6.569 8.296 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.567 -5.988 6.883 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.603 -7.428 6.743 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.760 -8.579 9.515 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.903 -9.562 8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.371 -9.533 8.944 1.00 0.00 H new ATOM 978 N TRP A 65 -2.299 -8.546 3.506 1.00 0.00 N ATOM 979 CA TRP A 65 -1.837 -8.449 2.134 1.00 0.00 C ATOM 980 C TRP A 65 -1.675 -7.000 1.740 1.00 0.00 C ATOM 981 O TRP A 65 -2.506 -6.178 2.107 1.00 0.00 O ATOM 982 CB TRP A 65 -2.839 -9.150 1.225 1.00 0.00 C ATOM 983 CG TRP A 65 -2.740 -10.638 1.286 1.00 0.00 C ATOM 984 CD1 TRP A 65 -3.311 -11.445 2.207 1.00 0.00 C ATOM 985 CD2 TRP A 65 -1.959 -11.510 0.426 1.00 0.00 C ATOM 986 NE1 TRP A 65 -2.942 -12.753 1.962 1.00 0.00 N ATOM 987 CE2 TRP A 65 -2.127 -12.849 0.856 1.00 0.00 C ATOM 988 CE3 TRP A 65 -1.122 -11.300 -0.679 1.00 0.00 C ATOM 989 CZ2 TRP A 65 -1.526 -13.925 0.185 1.00 0.00 C ATOM 990 CZ3 TRP A 65 -0.462 -12.356 -1.328 1.00 0.00 C ATOM 991 CH2 TRP A 65 -0.687 -13.681 -0.916 1.00 0.00 C ATOM 0 H TRP A 65 -2.942 -7.801 3.775 1.00 0.00 H new ATOM 0 HA TRP A 65 -0.865 -8.933 2.035 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -3.848 -8.847 1.504 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.680 -8.823 0.198 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -3.955 -11.118 3.010 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.236 -13.548 2.529 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.980 -10.293 -1.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -1.708 -14.938 0.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.217 -12.151 -2.142 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.220 -14.502 -1.440 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.613 -6.706 0.998 1.00 0.00 N ATOM 1003 CA GLU A 66 -0.293 -5.372 0.500 1.00 0.00 C ATOM 1004 C GLU A 66 -0.255 -5.348 -1.028 1.00 0.00 C ATOM 1005 O GLU A 66 0.308 -6.247 -1.667 1.00 0.00 O ATOM 1006 CB GLU A 66 1.011 -4.839 1.109 1.00 0.00 C ATOM 1007 CG GLU A 66 2.171 -5.821 0.932 1.00 0.00 C ATOM 1008 CD GLU A 66 3.493 -5.289 1.465 1.00 0.00 C ATOM 1009 OE1 GLU A 66 3.593 -5.170 2.694 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.354 -4.960 0.606 1.00 0.00 O ATOM 0 H GLU A 66 0.070 -7.410 0.718 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.091 -4.701 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.267 -3.888 0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.861 -4.643 2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.930 -6.754 1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.282 -6.056 -0.127 1.00 0.00 H new ATOM 1017 N TYR A 67 -0.785 -4.284 -1.627 1.00 0.00 N ATOM 1018 CA TYR A 67 -0.819 -4.145 -3.086 1.00 0.00 C ATOM 1019 C TYR A 67 -0.517 -2.713 -3.524 1.00 0.00 C ATOM 1020 O TYR A 67 -0.925 -1.787 -2.844 1.00 0.00 O ATOM 1021 CB TYR A 67 -2.183 -4.595 -3.626 1.00 0.00 C ATOM 1022 CG TYR A 67 -2.248 -4.769 -5.132 1.00 0.00 C ATOM 1023 CD1 TYR A 67 -1.788 -5.947 -5.730 1.00 0.00 C ATOM 1024 CD2 TYR A 67 -2.635 -3.707 -5.958 1.00 0.00 C ATOM 1025 CE1 TYR A 67 -1.764 -6.088 -7.129 1.00 0.00 C ATOM 1026 CE2 TYR A 67 -2.605 -3.816 -7.358 1.00 0.00 C ATOM 1027 CZ TYR A 67 -2.186 -5.020 -7.944 1.00 0.00 C ATOM 1028 OH TYR A 67 -2.288 -5.169 -9.285 1.00 0.00 O ATOM 0 H TYR A 67 -1.200 -3.500 -1.123 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.041 -4.785 -3.501 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.451 -5.540 -3.154 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.935 -3.865 -3.326 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.446 -6.761 -5.108 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.964 -2.782 -5.508 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.424 -7.010 -7.576 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.901 -2.982 -7.977 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.472 -5.587 -9.631 1.00 0.00 H new ATOM 1038 N PRO A 68 0.232 -2.492 -4.607 1.00 0.00 N ATOM 1039 CA PRO A 68 0.589 -1.163 -5.110 1.00 0.00 C ATOM 1040 C PRO A 68 -0.600 -0.418 -5.707 1.00 0.00 C ATOM 1041 O PRO A 68 -1.414 -0.995 -6.416 1.00 0.00 O ATOM 1042 CB PRO A 68 1.598 -1.431 -6.215 1.00 0.00 C ATOM 1043 CG PRO A 68 1.252 -2.843 -6.670 1.00 0.00 C ATOM 1044 CD PRO A 68 0.774 -3.533 -5.438 1.00 0.00 C ATOM 0 HA PRO A 68 0.966 -0.540 -4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.504 -0.712 -7.029 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.623 -1.366 -5.849 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.482 -2.833 -7.442 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.121 -3.346 -7.094 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.018 -4.281 -5.675 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.590 -4.052 -4.936 1.00 0.00 H new ATOM 1052 N ILE A 69 -0.589 0.906 -5.572 1.00 0.00 N ATOM 1053 CA ILE A 69 -1.655 1.795 -6.046 1.00 0.00 C ATOM 1054 C ILE A 69 -1.084 3.001 -6.780 1.00 0.00 C ATOM 1055 O ILE A 69 0.059 3.405 -6.576 1.00 0.00 O ATOM 1056 CB ILE A 69 -2.545 2.266 -4.863 1.00 0.00 C ATOM 1057 CG1 ILE A 69 -3.654 3.220 -5.329 1.00 0.00 C ATOM 1058 CG2 ILE A 69 -1.775 2.839 -3.676 1.00 0.00 C ATOM 1059 CD1 ILE A 69 -4.721 3.507 -4.294 1.00 0.00 C ATOM 0 H ILE A 69 0.177 1.405 -5.120 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.269 1.227 -6.745 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.011 1.356 -4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.199 4.163 -5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.130 2.797 -6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.477 3.141 -2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.100 2.081 -3.280 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.198 3.705 -4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.460 4.189 -4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.209 2.576 -4.006 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.263 3.963 -3.416 1.00 0.00 H new ATOM 1071 N TYR A 70 -1.910 3.655 -7.583 1.00 0.00 N ATOM 1072 CA TYR A 70 -1.578 4.886 -8.266 1.00 0.00 C ATOM 1073 C TYR A 70 -2.455 6.015 -7.768 1.00 0.00 C ATOM 1074 O TYR A 70 -3.661 5.975 -7.933 1.00 0.00 O ATOM 1075 CB TYR A 70 -1.734 4.655 -9.755 1.00 0.00 C ATOM 1076 CG TYR A 70 -0.654 3.730 -10.271 1.00 0.00 C ATOM 1077 CD1 TYR A 70 -0.664 2.369 -9.935 1.00 0.00 C ATOM 1078 CD2 TYR A 70 0.316 4.214 -11.161 1.00 0.00 C ATOM 1079 CE1 TYR A 70 0.314 1.533 -10.471 1.00 0.00 C ATOM 1080 CE2 TYR A 70 1.300 3.376 -11.692 1.00 0.00 C ATOM 1081 CZ TYR A 70 1.277 2.008 -11.369 1.00 0.00 C ATOM 1082 OH TYR A 70 2.187 1.149 -11.885 1.00 0.00 O ATOM 0 H TYR A 70 -2.857 3.330 -7.780 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.548 5.177 -8.061 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.715 4.226 -9.960 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -1.686 5.608 -10.282 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.418 1.974 -9.271 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.302 5.257 -11.442 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.329 0.491 -10.186 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.067 3.773 -12.341 1.00 0.00 H new ATOM 0 HH TYR A 70 2.431 0.484 -11.207 1.00 0.00 H new ATOM 1092 N TRP A 71 -1.827 7.000 -7.126 1.00 0.00 N ATOM 1093 CA TRP A 71 -2.507 8.223 -6.707 1.00 0.00 C ATOM 1094 C TRP A 71 -3.104 9.002 -7.889 1.00 0.00 C ATOM 1095 O TRP A 71 -2.826 8.715 -9.050 1.00 0.00 O ATOM 1096 CB TRP A 71 -1.505 9.108 -5.957 1.00 0.00 C ATOM 1097 CG TRP A 71 -0.137 9.237 -6.540 1.00 0.00 C ATOM 1098 CD1 TRP A 71 0.250 10.074 -7.516 1.00 0.00 C ATOM 1099 CD2 TRP A 71 1.036 8.458 -6.229 1.00 0.00 C ATOM 1100 NE1 TRP A 71 1.585 9.914 -7.795 1.00 0.00 N ATOM 1101 CE2 TRP A 71 2.127 8.919 -7.022 1.00 0.00 C ATOM 1102 CE3 TRP A 71 1.273 7.406 -5.341 1.00 0.00 C ATOM 1103 CZ2 TRP A 71 3.393 8.328 -6.972 1.00 0.00 C ATOM 1104 CZ3 TRP A 71 2.561 6.866 -5.213 1.00 0.00 C ATOM 1105 CH2 TRP A 71 3.613 7.311 -6.037 1.00 0.00 C ATOM 0 H TRP A 71 -0.837 6.972 -6.883 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.339 7.942 -6.061 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.933 10.107 -5.875 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.405 8.720 -4.943 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.401 10.778 -8.014 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.103 10.460 -8.483 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.461 7.007 -4.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 4.181 8.648 -7.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.748 6.101 -4.474 1.00 0.00 H new ATOM 0 HH2 TRP A 71 4.593 6.866 -5.947 1.00 0.00 H new ATOM 1116 N VAL A 72 -3.722 10.149 -7.591 1.00 0.00 N ATOM 1117 CA VAL A 72 -4.301 11.014 -8.635 1.00 0.00 C ATOM 1118 C VAL A 72 -3.235 11.636 -9.547 1.00 0.00 C ATOM 1119 O VAL A 72 -3.420 11.836 -10.736 1.00 0.00 O ATOM 1120 CB VAL A 72 -5.167 12.121 -8.004 1.00 0.00 C ATOM 1121 CG1 VAL A 72 -4.360 13.127 -7.172 1.00 0.00 C ATOM 1122 CG2 VAL A 72 -5.979 12.872 -9.060 1.00 0.00 C ATOM 0 H VAL A 72 -3.836 10.503 -6.641 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.926 10.375 -9.258 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.844 11.601 -7.326 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.032 13.878 -6.757 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.854 12.605 -6.360 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.620 13.613 -7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.577 13.645 -8.577 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.302 13.333 -9.779 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.637 12.174 -9.577 1.00 0.00 H new ATOM 1132 N GLY A 73 -2.083 11.985 -8.974 1.00 0.00 N ATOM 1133 CA GLY A 73 -0.999 12.621 -9.719 1.00 0.00 C ATOM 1134 C GLY A 73 -0.403 11.691 -10.778 1.00 0.00 C ATOM 1135 O GLY A 73 0.231 12.161 -11.717 1.00 0.00 O ATOM 0 H GLY A 73 -1.877 11.836 -7.986 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.373 13.525 -10.200 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.216 12.929 -9.026 1.00 0.00 H new ATOM 1139 N LYS A 74 -0.512 10.373 -10.570 1.00 0.00 N ATOM 1140 CA LYS A 74 -0.091 9.365 -11.532 1.00 0.00 C ATOM 1141 C LYS A 74 -1.145 9.186 -12.631 1.00 0.00 C ATOM 1142 O LYS A 74 -2.297 9.548 -12.472 1.00 0.00 O ATOM 1143 CB LYS A 74 0.157 8.048 -10.784 1.00 0.00 C ATOM 1144 CG LYS A 74 1.640 7.882 -10.433 1.00 0.00 C ATOM 1145 CD LYS A 74 1.833 6.712 -9.456 1.00 0.00 C ATOM 1146 CE LYS A 74 3.279 6.237 -9.437 1.00 0.00 C ATOM 1147 NZ LYS A 74 3.471 5.209 -10.474 1.00 0.00 N ATOM 0 H LYS A 74 -0.902 9.978 -9.714 1.00 0.00 H new ATOM 0 HA LYS A 74 0.830 9.684 -12.020 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.440 8.026 -9.872 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.170 7.210 -11.399 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.217 7.705 -11.341 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.020 8.802 -9.988 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.537 7.021 -8.453 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.181 5.886 -9.741 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.951 7.077 -9.613 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.527 5.831 -8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.940 4.379 -10.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.547 4.927 -10.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.062 5.593 -11.239 1.00 0.00 H new ATOM 1161 N ASN A 75 -0.727 8.553 -13.723 1.00 0.00 N ATOM 1162 CA ASN A 75 -1.581 8.233 -14.871 1.00 0.00 C ATOM 1163 C ASN A 75 -1.382 6.776 -15.338 1.00 0.00 C ATOM 1164 O ASN A 75 -1.377 6.464 -16.526 1.00 0.00 O ATOM 1165 CB ASN A 75 -1.282 9.249 -15.981 1.00 0.00 C ATOM 1166 CG ASN A 75 -2.234 9.101 -17.155 1.00 0.00 C ATOM 1167 OD1 ASN A 75 -3.377 8.705 -17.039 1.00 0.00 O ATOM 1168 ND2 ASN A 75 -1.776 9.432 -18.334 1.00 0.00 N ATOM 0 H ASN A 75 0.236 8.239 -13.841 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.631 8.307 -14.589 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -1.356 10.259 -15.578 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.256 9.118 -16.326 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -2.378 9.358 -19.154 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.817 9.765 -18.434 1.00 0.00 H new ATOM 1175 N ALA A 76 -1.049 5.887 -14.408 1.00 0.00 N ATOM 1176 CA ALA A 76 -0.881 4.479 -14.741 1.00 0.00 C ATOM 1177 C ALA A 76 -1.565 3.600 -13.702 1.00 0.00 C ATOM 1178 O ALA A 76 -2.129 4.116 -12.743 1.00 0.00 O ATOM 1179 CB ALA A 76 0.619 4.202 -14.949 1.00 0.00 C ATOM 0 H ALA A 76 -0.891 6.115 -13.426 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.376 4.226 -15.678 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.764 3.151 -15.199 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.995 4.824 -15.762 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.162 4.435 -14.033 1.00 0.00 H new ATOM 1185 N GLU A 77 -1.491 2.289 -13.894 1.00 0.00 N ATOM 1186 CA GLU A 77 -1.987 1.304 -12.938 1.00 0.00 C ATOM 1187 C GLU A 77 -1.081 0.069 -12.890 1.00 0.00 C ATOM 1188 O GLU A 77 -0.278 -0.166 -13.794 1.00 0.00 O ATOM 1189 CB GLU A 77 -3.416 0.905 -13.308 1.00 0.00 C ATOM 1190 CG GLU A 77 -4.245 0.560 -12.059 1.00 0.00 C ATOM 1191 CD GLU A 77 -5.312 -0.497 -12.381 1.00 0.00 C ATOM 1192 OE1 GLU A 77 -6.377 -0.119 -12.908 1.00 0.00 O ATOM 1193 OE2 GLU A 77 -5.072 -1.691 -12.078 1.00 0.00 O ATOM 0 H GLU A 77 -1.079 1.873 -14.729 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.983 1.754 -11.945 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.894 1.721 -13.850 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.393 0.047 -13.980 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.587 0.190 -11.272 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.724 1.461 -11.676 1.00 0.00 H new ATOM 1200 N TRP A 78 -1.174 -0.697 -11.801 1.00 0.00 N ATOM 1201 CA TRP A 78 -0.368 -1.894 -11.615 1.00 0.00 C ATOM 1202 C TRP A 78 -1.015 -3.070 -12.330 1.00 0.00 C ATOM 1203 O TRP A 78 -2.232 -3.241 -12.314 1.00 0.00 O ATOM 1204 CB TRP A 78 -0.207 -2.230 -10.128 1.00 0.00 C ATOM 1205 CG TRP A 78 1.112 -2.854 -9.820 1.00 0.00 C ATOM 1206 CD1 TRP A 78 1.376 -4.176 -9.771 1.00 0.00 C ATOM 1207 CD2 TRP A 78 2.360 -2.195 -9.461 1.00 0.00 C ATOM 1208 NE1 TRP A 78 2.692 -4.382 -9.428 1.00 0.00 N ATOM 1209 CE2 TRP A 78 3.349 -3.191 -9.217 1.00 0.00 C ATOM 1210 CE3 TRP A 78 2.744 -0.857 -9.252 1.00 0.00 C ATOM 1211 CZ2 TRP A 78 4.655 -2.872 -8.827 1.00 0.00 C ATOM 1212 CZ3 TRP A 78 4.043 -0.528 -8.843 1.00 0.00 C ATOM 1213 CH2 TRP A 78 5.009 -1.524 -8.642 1.00 0.00 C ATOM 0 H TRP A 78 -1.810 -0.501 -11.028 1.00 0.00 H new ATOM 0 HA TRP A 78 0.619 -1.702 -12.035 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -0.320 -1.320 -9.539 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -1.005 -2.907 -9.824 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.659 -4.958 -9.972 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.126 -5.301 -9.341 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.023 -0.069 -9.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.383 -3.654 -8.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.304 0.507 -8.680 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.014 -1.259 -8.348 1.00 0.00 H new ATOM 1224 N ALA A 79 -0.191 -3.962 -12.858 1.00 0.00 N ATOM 1225 CA ALA A 79 -0.686 -5.149 -13.540 1.00 0.00 C ATOM 1226 C ALA A 79 -0.764 -6.359 -12.612 1.00 0.00 C ATOM 1227 O ALA A 79 -0.451 -6.270 -11.437 1.00 0.00 O ATOM 1228 CB ALA A 79 0.186 -5.427 -14.750 1.00 0.00 C ATOM 0 H ALA A 79 0.826 -3.887 -12.827 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.708 -4.959 -13.870 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.179 -6.315 -15.266 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.151 -4.574 -15.428 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.214 -5.592 -14.427 1.00 0.00 H new ATOM 1234 N LYS A 80 -1.224 -7.501 -13.129 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.281 -8.750 -12.355 1.00 0.00 C ATOM 1236 C LYS A 80 -0.033 -9.598 -12.498 1.00 0.00 C ATOM 1237 O LYS A 80 0.446 -10.133 -11.504 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.495 -9.571 -12.795 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.810 -8.877 -12.427 1.00 0.00 C ATOM 1240 CD LYS A 80 -4.080 -8.955 -10.912 1.00 0.00 C ATOM 1241 CE LYS A 80 -5.077 -7.872 -10.494 1.00 0.00 C ATOM 1242 NZ LYS A 80 -4.406 -6.557 -10.314 1.00 0.00 N ATOM 0 H LYS A 80 -1.565 -7.589 -14.086 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.360 -8.465 -11.306 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.456 -9.730 -13.873 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.459 -10.555 -12.327 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.772 -7.833 -12.738 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.633 -9.342 -12.970 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.473 -9.939 -10.656 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.147 -8.831 -10.363 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.858 -7.783 -11.249 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.565 -8.164 -9.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.023 -5.925 -9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.509 -6.692 -9.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.216 -6.134 -11.245 1.00 0.00 H new ATOM 1256 N ASP A 81 0.437 -9.787 -13.725 1.00 0.00 N ATOM 1257 CA ASP A 81 1.624 -10.555 -14.086 1.00 0.00 C ATOM 1258 C ASP A 81 2.778 -9.636 -14.515 1.00 0.00 C ATOM 1259 O ASP A 81 3.526 -9.919 -15.440 1.00 0.00 O ATOM 1260 CB ASP A 81 1.292 -11.615 -15.140 1.00 0.00 C ATOM 1261 CG ASP A 81 0.932 -10.979 -16.487 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -0.043 -10.185 -16.468 1.00 0.00 O ATOM 1263 OD2 ASP A 81 1.601 -11.304 -17.488 1.00 0.00 O ATOM 0 H ASP A 81 -0.025 -9.386 -14.541 1.00 0.00 H new ATOM 0 HA ASP A 81 1.968 -11.087 -13.199 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.145 -12.281 -15.268 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.460 -12.227 -14.792 1.00 0.00 H new ATOM 1268 N VAL A 82 3.028 -8.573 -13.750 1.00 0.00 N ATOM 1269 CA VAL A 82 4.139 -7.659 -14.021 1.00 0.00 C ATOM 1270 C VAL A 82 4.934 -7.355 -12.762 1.00 0.00 C ATOM 1271 O VAL A 82 4.418 -6.848 -11.771 1.00 0.00 O ATOM 1272 CB VAL A 82 3.591 -6.391 -14.663 1.00 0.00 C ATOM 1273 CG1 VAL A 82 4.644 -5.300 -14.724 1.00 0.00 C ATOM 1274 CG2 VAL A 82 3.101 -6.659 -16.100 1.00 0.00 C ATOM 0 H VAL A 82 2.472 -8.322 -12.932 1.00 0.00 H new ATOM 0 HA VAL A 82 4.834 -8.135 -14.712 1.00 0.00 H new ATOM 0 HB VAL A 82 2.758 -6.066 -14.040 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.219 -4.410 -15.188 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.977 -5.059 -13.715 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.493 -5.646 -15.314 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.716 -5.735 -16.531 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.931 -7.024 -16.705 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.309 -7.408 -16.081 1.00 0.00 H new ATOM 1284 N LYS A 83 6.241 -7.633 -12.800 1.00 0.00 N ATOM 1285 CA LYS A 83 7.145 -7.296 -11.685 1.00 0.00 C ATOM 1286 C LYS A 83 7.334 -5.795 -11.548 1.00 0.00 C ATOM 1287 O LYS A 83 7.118 -5.062 -12.486 1.00 0.00 O ATOM 1288 CB LYS A 83 8.512 -7.939 -11.922 1.00 0.00 C ATOM 1289 CG LYS A 83 8.435 -9.444 -11.657 1.00 0.00 C ATOM 1290 CD LYS A 83 9.703 -10.139 -12.169 1.00 0.00 C ATOM 1291 CE LYS A 83 10.828 -10.095 -11.128 1.00 0.00 C ATOM 1292 NZ LYS A 83 10.591 -11.087 -10.046 1.00 0.00 N ATOM 0 H LYS A 83 6.700 -8.090 -13.588 1.00 0.00 H new ATOM 0 HA LYS A 83 6.693 -7.675 -10.768 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.836 -7.758 -12.947 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.256 -7.484 -11.268 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.318 -9.627 -10.589 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.558 -9.863 -12.150 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.476 -11.176 -12.417 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.037 -9.657 -13.088 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.784 -10.299 -11.611 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.894 -9.094 -10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.433 -11.147 -9.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.774 -10.790 -9.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.400 -12.019 -10.465 1.00 0.00 H new ATOM 1306 N THR A 84 7.903 -5.341 -10.433 1.00 0.00 N ATOM 1307 CA THR A 84 8.173 -3.907 -10.165 1.00 0.00 C ATOM 1308 C THR A 84 9.076 -3.237 -11.189 1.00 0.00 C ATOM 1309 O THR A 84 8.659 -2.285 -11.820 1.00 0.00 O ATOM 1310 CB THR A 84 8.822 -3.702 -8.801 1.00 0.00 C ATOM 1311 OG1 THR A 84 9.942 -4.551 -8.654 1.00 0.00 O ATOM 1312 CG2 THR A 84 7.856 -4.025 -7.672 1.00 0.00 C ATOM 0 H THR A 84 8.197 -5.956 -9.674 1.00 0.00 H new ATOM 0 HA THR A 84 7.187 -3.446 -10.213 1.00 0.00 H new ATOM 0 HB THR A 84 9.119 -2.655 -8.748 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.349 -4.406 -7.774 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.351 -3.868 -6.714 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.985 -3.374 -7.741 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.539 -5.065 -7.751 1.00 0.00 H new ATOM 1320 N SER A 85 10.305 -3.723 -11.362 1.00 0.00 N ATOM 1321 CA SER A 85 11.258 -3.184 -12.337 1.00 0.00 C ATOM 1322 C SER A 85 10.666 -3.121 -13.745 1.00 0.00 C ATOM 1323 O SER A 85 10.842 -2.145 -14.462 1.00 0.00 O ATOM 1324 CB SER A 85 12.495 -4.076 -12.368 1.00 0.00 C ATOM 1325 OG SER A 85 13.191 -3.928 -11.148 1.00 0.00 O ATOM 0 H SER A 85 10.672 -4.509 -10.825 1.00 0.00 H new ATOM 0 HA SER A 85 11.510 -2.169 -12.029 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.207 -5.117 -12.515 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.137 -3.802 -13.205 1.00 0.00 H new ATOM 0 HG SER A 85 13.988 -4.498 -11.155 1.00 0.00 H new ATOM 1331 N GLN A 86 9.944 -4.178 -14.133 1.00 0.00 N ATOM 1332 CA GLN A 86 9.208 -4.216 -15.395 1.00 0.00 C ATOM 1333 C GLN A 86 7.968 -3.312 -15.426 1.00 0.00 C ATOM 1334 O GLN A 86 7.599 -2.846 -16.502 1.00 0.00 O ATOM 1335 CB GLN A 86 8.823 -5.668 -15.695 1.00 0.00 C ATOM 1336 CG GLN A 86 8.101 -5.783 -17.049 1.00 0.00 C ATOM 1337 CD GLN A 86 8.373 -7.120 -17.708 1.00 0.00 C ATOM 1338 OE1 GLN A 86 7.556 -8.014 -17.739 1.00 0.00 O ATOM 1339 NE2 GLN A 86 9.572 -7.317 -18.207 1.00 0.00 N ATOM 0 H GLN A 86 9.855 -5.030 -13.579 1.00 0.00 H new ATOM 0 HA GLN A 86 9.869 -3.820 -16.166 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.718 -6.290 -15.703 1.00 0.00 H new ATOM 0 HB3 GLN A 86 8.178 -6.047 -14.902 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.028 -5.659 -16.903 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.428 -4.978 -17.707 1.00 0.00 H new ATOM 0 HE21 GLN A 86 10.264 -6.568 -18.183 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.811 -8.219 -18.618 1.00 0.00 H new ATOM 1348 N GLN A 87 7.345 -3.062 -14.274 1.00 0.00 N ATOM 1349 CA GLN A 87 6.152 -2.260 -14.080 1.00 0.00 C ATOM 1350 C GLN A 87 6.310 -0.916 -14.761 1.00 0.00 C ATOM 1351 O GLN A 87 7.240 -0.153 -14.497 1.00 0.00 O ATOM 1352 CB GLN A 87 5.828 -2.051 -12.586 1.00 0.00 C ATOM 1353 CG GLN A 87 4.371 -1.674 -12.350 1.00 0.00 C ATOM 1354 CD GLN A 87 3.410 -2.721 -12.887 1.00 0.00 C ATOM 1355 OE1 GLN A 87 2.823 -2.553 -13.936 1.00 0.00 O ATOM 1356 NE2 GLN A 87 3.274 -3.846 -12.229 1.00 0.00 N ATOM 0 H GLN A 87 7.691 -3.445 -13.394 1.00 0.00 H new ATOM 0 HA GLN A 87 5.320 -2.805 -14.527 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.057 -2.965 -12.037 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.472 -1.268 -12.184 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.201 -1.542 -11.282 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.164 -0.716 -12.827 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.769 -3.984 -11.348 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.674 -4.583 -12.598 1.00 0.00 H new ATOM 1365 N LYS A 88 5.353 -0.596 -15.623 1.00 0.00 N ATOM 1366 CA LYS A 88 5.395 0.632 -16.413 1.00 0.00 C ATOM 1367 C LYS A 88 4.475 1.659 -15.797 1.00 0.00 C ATOM 1368 O LYS A 88 3.428 1.992 -16.334 1.00 0.00 O ATOM 1369 CB LYS A 88 5.034 0.353 -17.874 1.00 0.00 C ATOM 1370 CG LYS A 88 5.951 -0.673 -18.553 1.00 0.00 C ATOM 1371 CD LYS A 88 7.322 -0.074 -18.897 1.00 0.00 C ATOM 1372 CE LYS A 88 7.249 0.655 -20.245 1.00 0.00 C ATOM 1373 NZ LYS A 88 8.332 1.659 -20.378 1.00 0.00 N ATOM 0 H LYS A 88 4.531 -1.174 -15.795 1.00 0.00 H new ATOM 0 HA LYS A 88 6.410 1.030 -16.406 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.005 -0.005 -17.923 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.073 1.288 -18.433 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.085 -1.532 -17.896 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.476 -1.039 -19.463 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.632 0.619 -18.115 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.073 -0.863 -18.940 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.321 -0.069 -21.056 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.281 1.147 -20.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.254 2.134 -21.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.248 2.364 -19.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.255 1.185 -20.310 1.00 0.00 H new ATOM 1387 N GLY A 89 4.893 2.204 -14.663 1.00 0.00 N ATOM 1388 CA GLY A 89 4.082 3.218 -14.016 1.00 0.00 C ATOM 1389 C GLY A 89 4.827 3.967 -12.941 1.00 0.00 C ATOM 1390 O GLY A 89 4.752 5.189 -12.860 1.00 0.00 O ATOM 0 H GLY A 89 5.763 1.969 -14.186 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.728 3.925 -14.766 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.201 2.748 -13.580 1.00 0.00 H new ATOM 1394 N GLY A 90 5.484 3.250 -12.037 1.00 0.00 N ATOM 1395 CA GLY A 90 6.331 3.862 -11.022 1.00 0.00 C ATOM 1396 C GLY A 90 6.398 2.989 -9.790 1.00 0.00 C ATOM 1397 O GLY A 90 5.371 2.400 -9.467 1.00 0.00 O ATOM 0 H GLY A 90 5.445 2.232 -11.987 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.334 4.015 -11.421 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.940 4.844 -10.758 1.00 0.00 H new ATOM 1401 N PRO A 91 7.492 3.054 -9.023 1.00 0.00 N ATOM 1402 CA PRO A 91 7.717 2.321 -7.775 1.00 0.00 C ATOM 1403 C PRO A 91 6.867 2.805 -6.600 1.00 0.00 C ATOM 1404 O PRO A 91 7.286 2.603 -5.461 1.00 0.00 O ATOM 1405 CB PRO A 91 9.206 2.520 -7.460 1.00 0.00 C ATOM 1406 CG PRO A 91 9.522 3.860 -8.096 1.00 0.00 C ATOM 1407 CD PRO A 91 8.629 3.909 -9.316 1.00 0.00 C ATOM 0 HA PRO A 91 7.430 1.278 -7.909 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.392 2.531 -6.386 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.816 1.721 -7.881 1.00 0.00 H new ATOM 0 HG2 PRO A 91 9.311 4.684 -7.415 1.00 0.00 H new ATOM 0 HG3 PRO A 91 10.575 3.933 -8.369 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.306 4.930 -9.520 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.160 3.560 -10.201 1.00 0.00 H new ATOM 1415 N THR A 92 5.714 3.436 -6.878 1.00 0.00 N ATOM 1416 CA THR A 92 4.691 3.844 -5.918 1.00 0.00 C ATOM 1417 C THR A 92 4.851 3.151 -4.555 1.00 0.00 C ATOM 1418 O THR A 92 4.665 1.935 -4.420 1.00 0.00 O ATOM 1419 CB THR A 92 3.243 3.717 -6.406 1.00 0.00 C ATOM 1420 OG1 THR A 92 2.463 3.858 -5.242 1.00 0.00 O ATOM 1421 CG2 THR A 92 3.004 2.418 -7.176 1.00 0.00 C ATOM 0 H THR A 92 5.463 3.686 -7.834 1.00 0.00 H new ATOM 0 HA THR A 92 4.875 4.912 -5.801 1.00 0.00 H new ATOM 0 HB THR A 92 2.975 4.479 -7.138 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.085 4.762 -5.209 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.965 2.374 -7.501 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.658 2.386 -8.047 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.219 1.567 -6.529 1.00 0.00 H new ATOM 1429 N PRO A 93 5.275 3.922 -3.548 1.00 0.00 N ATOM 1430 CA PRO A 93 5.530 3.375 -2.241 1.00 0.00 C ATOM 1431 C PRO A 93 4.240 2.956 -1.563 1.00 0.00 C ATOM 1432 O PRO A 93 4.217 1.991 -0.804 1.00 0.00 O ATOM 1433 CB PRO A 93 6.188 4.510 -1.462 1.00 0.00 C ATOM 1434 CG PRO A 93 5.777 5.777 -2.178 1.00 0.00 C ATOM 1435 CD PRO A 93 5.588 5.334 -3.610 1.00 0.00 C ATOM 0 HA PRO A 93 6.157 2.485 -2.293 1.00 0.00 H new ATOM 0 HB2 PRO A 93 5.855 4.519 -0.424 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.272 4.400 -1.448 1.00 0.00 H new ATOM 0 HG2 PRO A 93 4.859 6.192 -1.763 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.541 6.550 -2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.784 5.892 -4.089 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.490 5.509 -4.196 1.00 0.00 H new ATOM 1443 N ILE A 94 3.201 3.755 -1.779 1.00 0.00 N ATOM 1444 CA ILE A 94 1.895 3.550 -1.189 1.00 0.00 C ATOM 1445 C ILE A 94 1.347 2.207 -1.639 1.00 0.00 C ATOM 1446 O ILE A 94 1.358 1.913 -2.837 1.00 0.00 O ATOM 1447 CB ILE A 94 0.910 4.676 -1.545 1.00 0.00 C ATOM 1448 CG1 ILE A 94 1.485 6.059 -1.195 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.426 4.506 -0.790 1.00 0.00 C ATOM 1450 CD1 ILE A 94 0.941 7.188 -2.022 1.00 0.00 C ATOM 0 H ILE A 94 3.250 4.577 -2.381 1.00 0.00 H new ATOM 0 HA ILE A 94 2.010 3.562 -0.105 1.00 0.00 H new ATOM 0 HB ILE A 94 0.741 4.612 -2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.284 6.266 -0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.568 6.028 -1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.103 5.316 -1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.877 3.551 -1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.243 4.531 0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.401 8.124 -1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.165 7.009 -3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.139 7.251 -1.886 1.00 0.00 H new ATOM 1462 N ARG A 95 0.886 1.399 -0.691 1.00 0.00 N ATOM 1463 CA ARG A 95 0.262 0.117 -0.988 1.00 0.00 C ATOM 1464 C ARG A 95 -0.958 -0.110 -0.113 1.00 0.00 C ATOM 1465 O ARG A 95 -0.918 0.108 1.093 1.00 0.00 O ATOM 1466 CB ARG A 95 1.301 -0.994 -0.813 1.00 0.00 C ATOM 1467 CG ARG A 95 2.279 -1.107 -1.978 1.00 0.00 C ATOM 1468 CD ARG A 95 3.500 -1.914 -1.588 1.00 0.00 C ATOM 1469 NE ARG A 95 4.480 -1.933 -2.686 1.00 0.00 N ATOM 1470 CZ ARG A 95 5.646 -2.544 -2.612 1.00 0.00 C ATOM 1471 NH1 ARG A 95 5.993 -3.207 -1.542 1.00 0.00 N ATOM 1472 NH2 ARG A 95 6.483 -2.494 -3.609 1.00 0.00 N ATOM 0 H ARG A 95 0.935 1.615 0.305 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.088 0.111 -2.020 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.861 -0.814 0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.785 -1.946 -0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 95 1.784 -1.577 -2.828 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.585 -0.111 -2.298 1.00 0.00 H new ATOM 0 HD2 ARG A 95 3.955 -1.487 -0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.205 -2.933 -1.339 1.00 0.00 H new ATOM 0 HE ARG A 95 4.244 -1.447 -3.551 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.358 -3.258 -0.746 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.899 -3.674 -1.503 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.238 -1.979 -4.455 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.383 -2.969 -3.544 1.00 0.00 H new ATOM 1486 N VAL A 96 -2.074 -0.513 -0.703 1.00 0.00 N ATOM 1487 CA VAL A 96 -3.283 -0.878 0.042 1.00 0.00 C ATOM 1488 C VAL A 96 -3.064 -2.131 0.877 1.00 0.00 C ATOM 1489 O VAL A 96 -2.605 -3.143 0.356 1.00 0.00 O ATOM 1490 CB VAL A 96 -4.474 -1.047 -0.897 1.00 0.00 C ATOM 1491 CG1 VAL A 96 -4.257 -2.144 -1.918 1.00 0.00 C ATOM 1492 CG2 VAL A 96 -5.748 -1.345 -0.103 1.00 0.00 C ATOM 0 H VAL A 96 -2.173 -0.598 -1.715 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.507 -0.061 0.727 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.581 -0.104 -1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.134 -2.222 -2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.383 -1.909 -2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.098 -3.092 -1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.586 -1.462 -0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.615 -2.265 0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.952 -0.521 0.581 1.00 0.00 H new ATOM 1502 N VAL A 97 -3.431 -2.086 2.155 1.00 0.00 N ATOM 1503 CA VAL A 97 -3.300 -3.225 3.063 1.00 0.00 C ATOM 1504 C VAL A 97 -4.671 -3.731 3.465 1.00 0.00 C ATOM 1505 O VAL A 97 -5.598 -2.976 3.766 1.00 0.00 O ATOM 1506 CB VAL A 97 -2.482 -2.896 4.306 1.00 0.00 C ATOM 1507 CG1 VAL A 97 -2.154 -4.144 5.146 1.00 0.00 C ATOM 1508 CG2 VAL A 97 -1.171 -2.202 3.916 1.00 0.00 C ATOM 0 H VAL A 97 -3.829 -1.255 2.593 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.762 -4.003 2.522 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.097 -2.231 4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.570 -3.852 6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.080 -4.618 5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.579 -4.847 4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.599 -1.974 4.815 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.588 -2.861 3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.393 -1.278 3.383 1.00 0.00 H new ATOM 1518 N TYR A 98 -4.828 -5.043 3.469 1.00 0.00 N ATOM 1519 CA TYR A 98 -6.083 -5.687 3.784 1.00 0.00 C ATOM 1520 C TYR A 98 -5.846 -7.040 4.424 1.00 0.00 C ATOM 1521 O TYR A 98 -4.976 -7.808 4.031 1.00 0.00 O ATOM 1522 CB TYR A 98 -6.945 -5.820 2.531 1.00 0.00 C ATOM 1523 CG TYR A 98 -6.214 -6.244 1.275 1.00 0.00 C ATOM 1524 CD1 TYR A 98 -5.387 -5.333 0.586 1.00 0.00 C ATOM 1525 CD2 TYR A 98 -6.343 -7.556 0.807 1.00 0.00 C ATOM 1526 CE1 TYR A 98 -4.654 -5.744 -0.539 1.00 0.00 C ATOM 1527 CE2 TYR A 98 -5.640 -7.950 -0.344 1.00 0.00 C ATOM 1528 CZ TYR A 98 -4.791 -7.053 -1.018 1.00 0.00 C ATOM 1529 OH TYR A 98 -4.133 -7.445 -2.138 1.00 0.00 O ATOM 0 H TYR A 98 -4.076 -5.696 3.250 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.618 -5.065 4.501 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.736 -6.543 2.731 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -7.429 -4.862 2.342 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -5.317 -4.310 0.926 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -6.977 -8.260 1.326 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.987 -5.053 -1.033 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.753 -8.957 -0.717 1.00 0.00 H new ATOM 0 HH TYR A 98 -4.407 -8.355 -2.377 1.00 0.00 H new ATOM 1539 N ALA A 99 -6.612 -7.315 5.476 1.00 0.00 N ATOM 1540 CA ALA A 99 -6.508 -8.588 6.165 1.00 0.00 C ATOM 1541 C ALA A 99 -7.178 -9.649 5.324 1.00 0.00 C ATOM 1542 O ALA A 99 -8.223 -9.366 4.738 1.00 0.00 O ATOM 1543 CB ALA A 99 -7.134 -8.488 7.562 1.00 0.00 C ATOM 0 H ALA A 99 -7.305 -6.676 5.864 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.461 -8.860 6.302 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.049 -9.450 8.068 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.612 -7.726 8.141 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.186 -8.217 7.471 1.00 0.00 H new ATOM 1549 N ASN A 100 -6.639 -10.872 5.395 1.00 0.00 N ATOM 1550 CA ASN A 100 -7.190 -12.049 4.749 1.00 0.00 C ATOM 1551 C ASN A 100 -8.635 -12.263 5.092 1.00 0.00 C ATOM 1552 O ASN A 100 -9.251 -13.027 4.382 1.00 0.00 O ATOM 1553 CB ASN A 100 -6.396 -13.327 5.081 1.00 0.00 C ATOM 1554 CG ASN A 100 -6.485 -14.430 4.048 1.00 0.00 C ATOM 1555 OD1 ASN A 100 -5.655 -14.532 3.165 1.00 0.00 O ATOM 1556 ND2 ASN A 100 -7.445 -15.315 4.164 1.00 0.00 N ATOM 0 H ASN A 100 -5.786 -11.066 5.919 1.00 0.00 H new ATOM 0 HA ASN A 100 -7.108 -11.855 3.679 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -5.348 -13.060 5.214 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -6.749 -13.717 6.036 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -7.500 -16.097 3.511 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.137 -15.222 4.907 1.00 0.00 H new ATOM 1563 N SER A 101 -9.129 -11.700 6.202 1.00 0.00 N ATOM 1564 CA SER A 101 -10.515 -11.770 6.678 1.00 0.00 C ATOM 1565 C SER A 101 -11.117 -13.160 6.439 1.00 0.00 C ATOM 1566 O SER A 101 -12.268 -13.301 6.044 1.00 0.00 O ATOM 1567 CB SER A 101 -11.356 -10.669 6.022 1.00 0.00 C ATOM 1568 OG SER A 101 -12.538 -10.495 6.775 1.00 0.00 O ATOM 0 H SER A 101 -8.538 -11.152 6.827 1.00 0.00 H new ATOM 0 HA SER A 101 -10.519 -11.603 7.755 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.793 -9.737 5.981 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.599 -10.940 4.994 1.00 0.00 H new ATOM 0 HG SER A 101 -13.033 -11.340 6.807 1.00 0.00 H new ATOM 1574 N ARG A 102 -10.283 -14.209 6.570 1.00 0.00 N ATOM 1575 CA ARG A 102 -10.620 -15.582 6.174 1.00 0.00 C ATOM 1576 C ARG A 102 -11.175 -15.735 4.734 1.00 0.00 C ATOM 1577 O ARG A 102 -12.238 -16.303 4.530 1.00 0.00 O ATOM 1578 CB ARG A 102 -11.637 -16.058 7.221 1.00 0.00 C ATOM 1579 CG ARG A 102 -10.952 -16.484 8.506 1.00 0.00 C ATOM 1580 CD ARG A 102 -12.053 -17.046 9.399 1.00 0.00 C ATOM 1581 NE ARG A 102 -11.498 -17.974 10.391 1.00 0.00 N ATOM 1582 CZ ARG A 102 -12.206 -18.826 11.104 1.00 0.00 C ATOM 1583 NH1 ARG A 102 -13.502 -18.894 10.991 1.00 0.00 N ATOM 1584 NH2 ARG A 102 -11.623 -19.625 11.945 1.00 0.00 N ATOM 0 H ARG A 102 -9.344 -14.121 6.960 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.713 -16.186 6.147 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -12.345 -15.257 7.433 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.211 -16.893 6.819 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -10.186 -17.235 8.310 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.455 -15.639 8.983 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.568 -16.230 9.906 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -12.795 -17.561 8.789 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.489 -17.958 10.540 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.990 -18.279 10.340 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -14.029 -19.562 11.554 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -10.610 -19.596 12.057 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.178 -20.282 12.493 1.00 0.00 H new ATOM 1598 N GLY A 103 -10.445 -15.281 3.719 1.00 0.00 N ATOM 1599 CA GLY A 103 -10.851 -15.285 2.314 1.00 0.00 C ATOM 1600 C GLY A 103 -11.312 -13.925 1.778 1.00 0.00 C ATOM 1601 O GLY A 103 -11.144 -13.662 0.591 1.00 0.00 O ATOM 0 H GLY A 103 -9.516 -14.884 3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.014 -15.634 1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.660 -16.004 2.185 1.00 0.00 H new ATOM 1605 N ALA A 104 -11.915 -13.064 2.601 1.00 0.00 N ATOM 1606 CA ALA A 104 -12.329 -11.720 2.180 1.00 0.00 C ATOM 1607 C ALA A 104 -11.295 -10.640 2.519 1.00 0.00 C ATOM 1608 O ALA A 104 -10.227 -10.895 3.045 1.00 0.00 O ATOM 1609 CB ALA A 104 -13.701 -11.420 2.798 1.00 0.00 C ATOM 0 H ALA A 104 -12.130 -13.276 3.575 1.00 0.00 H new ATOM 0 HA ALA A 104 -12.403 -11.701 1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -14.026 -10.424 2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -14.425 -12.158 2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -13.628 -11.464 3.885 1.00 0.00 H new ATOM 1615 N VAL A 105 -11.610 -9.382 2.256 1.00 0.00 N ATOM 1616 CA VAL A 105 -10.715 -8.273 2.584 1.00 0.00 C ATOM 1617 C VAL A 105 -11.444 -7.302 3.484 1.00 0.00 C ATOM 1618 O VAL A 105 -12.575 -6.920 3.207 1.00 0.00 O ATOM 1619 CB VAL A 105 -10.158 -7.634 1.305 1.00 0.00 C ATOM 1620 CG1 VAL A 105 -9.696 -8.694 0.297 1.00 0.00 C ATOM 1621 CG2 VAL A 105 -11.161 -6.692 0.644 1.00 0.00 C ATOM 0 H VAL A 105 -12.484 -9.098 1.813 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.845 -8.631 3.134 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.294 -7.045 1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.308 -8.203 -0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -8.912 -9.305 0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.539 -9.329 0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -10.720 -6.265 -0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -12.061 -7.247 0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -11.419 -5.891 1.337 1.00 0.00 H new ATOM 1631 N GLN A 106 -10.791 -6.878 4.559 1.00 0.00 N ATOM 1632 CA GLN A 106 -11.373 -5.850 5.425 1.00 0.00 C ATOM 1633 C GLN A 106 -10.854 -4.454 5.112 1.00 0.00 C ATOM 1634 O GLN A 106 -11.115 -3.566 5.909 1.00 0.00 O ATOM 1635 CB GLN A 106 -11.189 -6.244 6.892 1.00 0.00 C ATOM 1636 CG GLN A 106 -9.770 -5.986 7.408 1.00 0.00 C ATOM 1637 CD GLN A 106 -9.609 -6.358 8.873 1.00 0.00 C ATOM 1638 OE1 GLN A 106 -10.142 -7.312 9.417 1.00 0.00 O ATOM 1639 NE2 GLN A 106 -8.773 -5.631 9.557 1.00 0.00 N ATOM 0 H GLN A 106 -9.876 -7.220 4.852 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.443 -5.798 5.223 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.899 -5.687 7.504 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.426 -7.301 7.011 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.060 -6.558 6.811 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.524 -4.933 7.274 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.318 -4.830 9.120 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.573 -5.863 10.530 1.00 0.00 H new ATOM 1648 N TYR A 107 -10.084 -4.286 4.022 1.00 0.00 N ATOM 1649 CA TYR A 107 -9.419 -3.027 3.666 1.00 0.00 C ATOM 1650 C TYR A 107 -8.862 -2.363 4.935 1.00 0.00 C ATOM 1651 O TYR A 107 -9.281 -1.282 5.321 1.00 0.00 O ATOM 1652 CB TYR A 107 -10.427 -2.143 2.907 1.00 0.00 C ATOM 1653 CG TYR A 107 -9.966 -0.722 2.661 1.00 0.00 C ATOM 1654 CD1 TYR A 107 -8.830 -0.498 1.867 1.00 0.00 C ATOM 1655 CD2 TYR A 107 -10.575 0.352 3.352 1.00 0.00 C ATOM 1656 CE1 TYR A 107 -8.338 0.808 1.747 1.00 0.00 C ATOM 1657 CE2 TYR A 107 -10.057 1.656 3.248 1.00 0.00 C ATOM 1658 CZ TYR A 107 -8.921 1.881 2.450 1.00 0.00 C ATOM 1659 OH TYR A 107 -8.381 3.124 2.347 1.00 0.00 O ATOM 0 H TYR A 107 -9.906 -5.036 3.355 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.567 -3.196 3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -10.647 -2.610 1.947 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -11.360 -2.115 3.470 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -8.344 -1.318 1.358 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -11.445 0.169 3.965 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -7.493 0.997 1.101 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -10.526 2.474 3.774 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.398 3.562 3.224 1.00 0.00 H new ATOM 1669 N CYS A 108 -7.970 -3.060 5.651 1.00 0.00 N ATOM 1670 CA CYS A 108 -7.386 -2.531 6.887 1.00 0.00 C ATOM 1671 C CYS A 108 -6.942 -1.063 6.758 1.00 0.00 C ATOM 1672 O CYS A 108 -7.066 -0.286 7.702 1.00 0.00 O ATOM 1673 CB CYS A 108 -6.184 -3.388 7.274 1.00 0.00 C ATOM 1674 SG CYS A 108 -5.674 -3.098 8.977 1.00 0.00 S ATOM 0 H CYS A 108 -7.638 -3.990 5.395 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.159 -2.567 7.655 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.432 -4.441 7.143 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.352 -3.171 6.604 1.00 0.00 H new ATOM 1679 N GLY A 109 -6.474 -0.698 5.566 1.00 0.00 N ATOM 1680 CA GLY A 109 -6.179 0.668 5.191 1.00 0.00 C ATOM 1681 C GLY A 109 -4.951 0.719 4.314 1.00 0.00 C ATOM 1682 O GLY A 109 -4.200 -0.240 4.170 1.00 0.00 O ATOM 0 H GLY A 109 -6.287 -1.368 4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -7.029 1.099 4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -6.021 1.271 6.085 1.00 0.00 H new ATOM 1686 N VAL A 110 -4.735 1.855 3.682 1.00 0.00 N ATOM 1687 CA VAL A 110 -3.587 2.036 2.791 1.00 0.00 C ATOM 1688 C VAL A 110 -2.420 2.568 3.602 1.00 0.00 C ATOM 1689 O VAL A 110 -2.619 3.281 4.581 1.00 0.00 O ATOM 1690 CB VAL A 110 -3.916 2.988 1.628 1.00 0.00 C ATOM 1691 CG1 VAL A 110 -3.114 2.615 0.375 1.00 0.00 C ATOM 1692 CG2 VAL A 110 -5.404 2.984 1.271 1.00 0.00 C ATOM 0 H VAL A 110 -5.337 2.674 3.764 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.327 1.073 2.351 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.644 3.987 1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.363 3.302 -0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.048 2.681 0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.360 1.596 0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.582 3.672 0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.705 1.979 0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.987 3.298 2.137 1.00 0.00 H new ATOM 1702 N MET A 111 -1.202 2.251 3.184 1.00 0.00 N ATOM 1703 CA MET A 111 0.036 2.712 3.813 1.00 0.00 C ATOM 1704 C MET A 111 0.954 3.331 2.788 1.00 0.00 C ATOM 1705 O MET A 111 0.726 3.196 1.596 1.00 0.00 O ATOM 1706 CB MET A 111 0.753 1.564 4.545 1.00 0.00 C ATOM 1707 CG MET A 111 0.795 0.262 3.752 1.00 0.00 C ATOM 1708 SD MET A 111 2.050 0.176 2.462 1.00 0.00 S ATOM 1709 CE MET A 111 2.450 -1.600 2.569 1.00 0.00 C ATOM 0 H MET A 111 -1.040 1.650 2.376 1.00 0.00 H new ATOM 0 HA MET A 111 -0.230 3.470 4.550 1.00 0.00 H new ATOM 0 HB2 MET A 111 1.773 1.872 4.774 1.00 0.00 H new ATOM 0 HB3 MET A 111 0.253 1.383 5.497 1.00 0.00 H new ATOM 0 HG2 MET A 111 0.958 -0.561 4.448 1.00 0.00 H new ATOM 0 HG3 MET A 111 -0.182 0.104 3.295 1.00 0.00 H new ATOM 0 HE1 MET A 111 3.219 -1.845 1.836 1.00 0.00 H new ATOM 0 HE2 MET A 111 2.816 -1.831 3.569 1.00 0.00 H new ATOM 0 HE3 MET A 111 1.555 -2.187 2.366 1.00 0.00 H new ATOM 1719 N THR A 112 2.030 3.956 3.241 1.00 0.00 N ATOM 1720 CA THR A 112 3.046 4.588 2.433 1.00 0.00 C ATOM 1721 C THR A 112 4.396 4.617 3.121 1.00 0.00 C ATOM 1722 O THR A 112 4.538 4.707 4.330 1.00 0.00 O ATOM 1723 CB THR A 112 2.626 6.016 2.086 1.00 0.00 C ATOM 1724 OG1 THR A 112 3.504 6.426 1.059 1.00 0.00 O ATOM 1725 CG2 THR A 112 2.753 7.049 3.191 1.00 0.00 C ATOM 0 H THR A 112 2.223 4.037 4.239 1.00 0.00 H new ATOM 0 HA THR A 112 3.147 3.993 1.525 1.00 0.00 H new ATOM 0 HB THR A 112 1.565 5.976 1.840 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.285 7.342 0.787 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.425 8.020 2.821 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.132 6.755 4.037 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.793 7.115 3.510 1.00 0.00 H new ATOM 1733 N HIS A 113 5.451 4.529 2.332 1.00 0.00 N ATOM 1734 CA HIS A 113 6.797 4.601 2.883 1.00 0.00 C ATOM 1735 C HIS A 113 7.066 5.998 3.419 1.00 0.00 C ATOM 1736 O HIS A 113 6.773 6.971 2.730 1.00 0.00 O ATOM 1737 CB HIS A 113 7.818 4.219 1.820 1.00 0.00 C ATOM 1738 CG HIS A 113 7.513 2.949 1.068 1.00 0.00 C ATOM 1739 ND1 HIS A 113 8.049 2.600 -0.148 1.00 0.00 N ATOM 1740 CD2 HIS A 113 6.606 1.995 1.397 1.00 0.00 C ATOM 1741 CE1 HIS A 113 7.507 1.442 -0.561 1.00 0.00 C ATOM 1742 NE2 HIS A 113 6.604 1.084 0.360 1.00 0.00 N ATOM 0 H HIS A 113 5.407 4.409 1.320 1.00 0.00 H new ATOM 0 HA HIS A 113 6.885 3.895 3.709 1.00 0.00 H new ATOM 0 HB2 HIS A 113 7.897 5.037 1.104 1.00 0.00 H new ATOM 0 HB3 HIS A 113 8.793 4.116 2.295 1.00 0.00 H new ATOM 0 HD2 HIS A 113 6.004 1.956 2.293 1.00 0.00 H new ATOM 0 HE1 HIS A 113 7.753 0.903 -1.464 1.00 0.00 H new ATOM 0 HE2 HIS A 113 6.004 0.261 0.304 1.00 0.00 H new ATOM 1751 N SER A 114 7.732 6.092 4.568 1.00 0.00 N ATOM 1752 CA SER A 114 8.099 7.378 5.158 1.00 0.00 C ATOM 1753 C SER A 114 9.055 8.122 4.256 1.00 0.00 C ATOM 1754 O SER A 114 8.839 9.288 3.991 1.00 0.00 O ATOM 1755 CB SER A 114 8.800 7.200 6.504 1.00 0.00 C ATOM 1756 OG SER A 114 9.447 8.414 6.875 1.00 0.00 O ATOM 0 H SER A 114 8.031 5.284 5.114 1.00 0.00 H new ATOM 0 HA SER A 114 7.171 7.934 5.290 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.075 6.915 7.267 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.530 6.393 6.441 1.00 0.00 H new ATOM 0 HG SER A 114 9.894 8.296 7.739 1.00 0.00 H new ATOM 1762 N LYS A 115 10.152 7.485 3.836 1.00 0.00 N ATOM 1763 CA LYS A 115 11.149 8.111 2.966 1.00 0.00 C ATOM 1764 C LYS A 115 10.645 8.211 1.542 1.00 0.00 C ATOM 1765 O LYS A 115 10.502 7.185 0.904 1.00 0.00 O ATOM 1766 CB LYS A 115 12.442 7.287 2.982 1.00 0.00 C ATOM 1767 CG LYS A 115 13.273 7.584 4.236 1.00 0.00 C ATOM 1768 CD LYS A 115 14.324 8.677 3.986 1.00 0.00 C ATOM 1769 CE LYS A 115 13.746 10.079 4.224 1.00 0.00 C ATOM 1770 NZ LYS A 115 13.167 10.699 2.994 1.00 0.00 N ATOM 0 H LYS A 115 10.373 6.522 4.090 1.00 0.00 H new ATOM 0 HA LYS A 115 11.340 9.116 3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.200 6.225 2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 115 13.030 7.510 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 115 12.611 7.896 5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.770 6.672 4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.179 8.518 4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 115 14.691 8.603 2.962 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.973 10.020 4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.532 10.727 4.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.761 11.499 2.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.131 9.991 2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 12.205 11.039 3.196 1.00 0.00 H new ATOM 1784 N VAL A 116 10.520 9.414 0.997 1.00 0.00 N ATOM 1785 CA VAL A 116 10.041 9.615 -0.375 1.00 0.00 C ATOM 1786 C VAL A 116 10.558 10.928 -0.910 1.00 0.00 C ATOM 1787 O VAL A 116 10.118 11.941 -0.433 1.00 0.00 O ATOM 1788 CB VAL A 116 8.497 9.604 -0.433 1.00 0.00 C ATOM 1789 CG1 VAL A 116 7.984 8.163 -0.400 1.00 0.00 C ATOM 1790 CG2 VAL A 116 7.791 10.373 0.703 1.00 0.00 C ATOM 0 H VAL A 116 10.746 10.279 1.487 1.00 0.00 H new ATOM 0 HA VAL A 116 10.414 8.795 -0.989 1.00 0.00 H new ATOM 0 HB VAL A 116 8.255 10.115 -1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 116 6.895 8.164 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 116 8.379 7.616 -1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.312 7.681 0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.711 10.305 0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.068 9.938 1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.094 11.420 0.677 1.00 0.00 H new ATOM 1800 N ASP A 117 11.516 10.919 -1.825 1.00 0.00 N ATOM 1801 CA ASP A 117 12.029 12.165 -2.423 1.00 0.00 C ATOM 1802 C ASP A 117 11.667 12.261 -3.902 1.00 0.00 C ATOM 1803 O ASP A 117 10.708 12.931 -4.292 1.00 0.00 O ATOM 1804 CB ASP A 117 13.526 12.284 -2.122 1.00 0.00 C ATOM 1805 CG ASP A 117 14.128 13.633 -2.520 1.00 0.00 C ATOM 1806 OD1 ASP A 117 13.534 14.300 -3.392 1.00 0.00 O ATOM 1807 OD2 ASP A 117 15.274 13.819 -2.073 1.00 0.00 O ATOM 0 H ASP A 117 11.960 10.070 -2.176 1.00 0.00 H new ATOM 0 HA ASP A 117 11.547 13.032 -1.971 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.687 12.125 -1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.057 11.490 -2.647 1.00 0.00 H new ATOM 1812 N LYS A 118 12.369 11.451 -4.692 1.00 0.00 N ATOM 1813 CA LYS A 118 12.211 11.368 -6.140 1.00 0.00 C ATOM 1814 C LYS A 118 11.765 9.987 -6.569 1.00 0.00 C ATOM 1815 O LYS A 118 10.908 9.832 -7.437 1.00 0.00 O ATOM 1816 CB LYS A 118 13.532 11.783 -6.804 1.00 0.00 C ATOM 1817 CG LYS A 118 13.543 11.536 -8.327 1.00 0.00 C ATOM 1818 CD LYS A 118 12.836 12.668 -9.081 1.00 0.00 C ATOM 1819 CE LYS A 118 13.195 12.605 -10.568 1.00 0.00 C ATOM 1820 NZ LYS A 118 12.420 11.560 -11.280 1.00 0.00 N ATOM 0 H LYS A 118 13.083 10.818 -4.331 1.00 0.00 H new ATOM 0 HA LYS A 118 11.425 12.051 -6.463 1.00 0.00 H new ATOM 0 HB2 LYS A 118 13.713 12.840 -6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 118 14.352 11.231 -6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 118 14.572 11.451 -8.676 1.00 0.00 H new ATOM 0 HG3 LYS A 118 13.052 10.588 -8.547 1.00 0.00 H new ATOM 0 HD2 LYS A 118 11.757 12.583 -8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 118 13.131 13.632 -8.667 1.00 0.00 H new ATOM 0 HE2 LYS A 118 13.006 13.575 -11.029 1.00 0.00 H new ATOM 0 HE3 LYS A 118 14.261 12.404 -10.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 12.692 11.549 -12.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 12.620 10.631 -10.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.404 11.766 -11.199 1.00 0.00 H new ATOM 1834 N ASN A 119 12.427 8.973 -6.013 1.00 0.00 N ATOM 1835 CA ASN A 119 12.120 7.592 -6.335 1.00 0.00 C ATOM 1836 C ASN A 119 10.879 7.124 -5.601 1.00 0.00 C ATOM 1837 O ASN A 119 10.128 6.336 -6.143 1.00 0.00 O ATOM 1838 CB ASN A 119 13.291 6.698 -5.947 1.00 0.00 C ATOM 1839 CG ASN A 119 14.359 6.669 -7.010 1.00 0.00 C ATOM 1840 OD1 ASN A 119 14.113 6.398 -8.166 1.00 0.00 O ATOM 1841 ND2 ASN A 119 15.578 6.951 -6.631 1.00 0.00 N ATOM 0 H ASN A 119 13.181 9.089 -5.336 1.00 0.00 H new ATOM 0 HA ASN A 119 11.940 7.529 -7.408 1.00 0.00 H new ATOM 0 HB2 ASN A 119 13.722 7.052 -5.010 1.00 0.00 H new ATOM 0 HB3 ASN A 119 12.930 5.685 -5.769 1.00 0.00 H new ATOM 0 HD21 ASN A 119 16.338 6.945 -7.311 1.00 0.00 H new ATOM 0 HD22 ASN A 119 15.769 7.177 -5.655 1.00 0.00 H new ATOM 1848 N ASN A 120 10.664 7.585 -4.366 1.00 0.00 N ATOM 1849 CA ASN A 120 9.472 7.262 -3.587 1.00 0.00 C ATOM 1850 C ASN A 120 9.533 5.784 -3.171 1.00 0.00 C ATOM 1851 O ASN A 120 8.585 5.030 -3.319 1.00 0.00 O ATOM 1852 CB ASN A 120 8.180 7.630 -4.358 1.00 0.00 C ATOM 1853 CG ASN A 120 8.222 8.940 -5.112 1.00 0.00 C ATOM 1854 OD1 ASN A 120 9.012 9.825 -4.851 1.00 0.00 O ATOM 1855 ND2 ASN A 120 7.343 9.097 -6.071 1.00 0.00 N ATOM 0 H ASN A 120 11.318 8.197 -3.878 1.00 0.00 H new ATOM 0 HA ASN A 120 9.446 7.863 -2.678 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.960 6.831 -5.066 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.353 7.665 -3.649 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.319 9.967 -6.604 1.00 0.00 H new ATOM 0 HD22 ASN A 120 6.683 8.350 -6.285 1.00 0.00 H new ATOM 1862 N GLN A 121 10.697 5.309 -2.738 1.00 0.00 N ATOM 1863 CA GLN A 121 10.880 3.905 -2.358 1.00 0.00 C ATOM 1864 C GLN A 121 10.786 3.742 -0.851 1.00 0.00 C ATOM 1865 O GLN A 121 10.497 4.685 -0.141 1.00 0.00 O ATOM 1866 CB GLN A 121 12.227 3.392 -2.858 1.00 0.00 C ATOM 1867 CG GLN A 121 12.370 3.503 -4.384 1.00 0.00 C ATOM 1868 CD GLN A 121 12.012 2.212 -5.107 1.00 0.00 C ATOM 1869 OE1 GLN A 121 12.645 1.813 -6.057 1.00 0.00 O ATOM 1870 NE2 GLN A 121 10.985 1.516 -4.676 1.00 0.00 N ATOM 0 H GLN A 121 11.537 5.879 -2.640 1.00 0.00 H new ATOM 0 HA GLN A 121 10.086 3.319 -2.820 1.00 0.00 H new ATOM 0 HB2 GLN A 121 13.027 3.956 -2.379 1.00 0.00 H new ATOM 0 HB3 GLN A 121 12.349 2.351 -2.560 1.00 0.00 H new ATOM 0 HG2 GLN A 121 11.729 4.307 -4.747 1.00 0.00 H new ATOM 0 HG3 GLN A 121 13.396 3.778 -4.629 1.00 0.00 H new ATOM 0 HE21 GLN A 121 10.446 1.845 -3.875 1.00 0.00 H new ATOM 0 HE22 GLN A 121 10.727 0.646 -5.142 1.00 0.00 H new ATOM 1879 N GLY A 122 10.922 2.522 -0.347 1.00 0.00 N ATOM 1880 CA GLY A 122 10.838 2.241 1.088 1.00 0.00 C ATOM 1881 C GLY A 122 12.224 2.077 1.670 1.00 0.00 C ATOM 1882 O GLY A 122 13.031 1.349 1.099 1.00 0.00 O ATOM 0 H GLY A 122 11.094 1.695 -0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 122 10.316 3.053 1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 122 10.256 1.335 1.255 1.00 0.00 H new ATOM 1886 N LYS A 123 12.514 2.841 2.727 1.00 0.00 N ATOM 1887 CA LYS A 123 13.802 2.787 3.426 1.00 0.00 C ATOM 1888 C LYS A 123 13.618 2.584 4.918 1.00 0.00 C ATOM 1889 O LYS A 123 13.895 1.500 5.386 1.00 0.00 O ATOM 1890 CB LYS A 123 14.661 4.016 3.131 1.00 0.00 C ATOM 1891 CG LYS A 123 14.771 4.337 1.638 1.00 0.00 C ATOM 1892 CD LYS A 123 16.097 5.045 1.363 1.00 0.00 C ATOM 1893 CE LYS A 123 16.081 5.708 -0.016 1.00 0.00 C ATOM 1894 NZ LYS A 123 16.338 4.724 -1.098 1.00 0.00 N ATOM 0 H LYS A 123 11.861 3.516 3.123 1.00 0.00 H new ATOM 0 HA LYS A 123 14.339 1.920 3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 123 14.240 4.877 3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 123 15.661 3.857 3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 123 14.709 3.420 1.053 1.00 0.00 H new ATOM 0 HG3 LYS A 123 13.939 4.969 1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 123 16.280 5.797 2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 123 16.916 4.328 1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 123 15.115 6.186 -0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 123 16.835 6.494 -0.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 16.320 5.208 -2.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 17.271 4.286 -0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 15.604 3.988 -1.079 1.00 0.00 H new ATOM 1908 N GLU A 124 13.149 3.623 5.607 1.00 0.00 N ATOM 1909 CA GLU A 124 12.942 3.604 7.056 1.00 0.00 C ATOM 1910 C GLU A 124 11.898 2.540 7.419 1.00 0.00 C ATOM 1911 O GLU A 124 12.220 1.473 7.926 1.00 0.00 O ATOM 1912 CB GLU A 124 12.504 5.009 7.513 1.00 0.00 C ATOM 1913 CG GLU A 124 13.639 6.024 7.588 1.00 0.00 C ATOM 1914 CD GLU A 124 14.593 5.753 8.754 1.00 0.00 C ATOM 1915 OE1 GLU A 124 14.116 5.694 9.906 1.00 0.00 O ATOM 1916 OE2 GLU A 124 15.799 5.680 8.437 1.00 0.00 O ATOM 0 H GLU A 124 12.899 4.511 5.172 1.00 0.00 H new ATOM 0 HA GLU A 124 13.868 3.344 7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.743 5.381 6.827 1.00 0.00 H new ATOM 0 HB3 GLU A 124 12.037 4.930 8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 124 14.199 6.007 6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 124 13.220 7.025 7.691 1.00 0.00 H new ATOM 1923 N PHE A 125 10.631 2.829 7.120 1.00 0.00 N ATOM 1924 CA PHE A 125 9.497 1.967 7.412 1.00 0.00 C ATOM 1925 C PHE A 125 8.262 2.425 6.622 1.00 0.00 C ATOM 1926 O PHE A 125 8.323 3.339 5.778 1.00 0.00 O ATOM 1927 CB PHE A 125 9.228 1.970 8.929 1.00 0.00 C ATOM 1928 CG PHE A 125 9.156 3.342 9.558 1.00 0.00 C ATOM 1929 CD1 PHE A 125 10.335 3.978 9.982 1.00 0.00 C ATOM 1930 CD2 PHE A 125 7.918 3.978 9.727 1.00 0.00 C ATOM 1931 CE1 PHE A 125 10.308 5.288 10.491 1.00 0.00 C ATOM 1932 CE2 PHE A 125 7.891 5.253 10.319 1.00 0.00 C ATOM 1933 CZ PHE A 125 9.073 5.932 10.659 1.00 0.00 C ATOM 0 H PHE A 125 10.363 3.696 6.654 1.00 0.00 H new ATOM 0 HA PHE A 125 9.724 0.946 7.104 1.00 0.00 H new ATOM 0 HB2 PHE A 125 8.289 1.450 9.118 1.00 0.00 H new ATOM 0 HB3 PHE A 125 10.014 1.400 9.424 1.00 0.00 H new ATOM 0 HD1 PHE A 125 11.276 3.452 9.916 1.00 0.00 H new ATOM 0 HD2 PHE A 125 7.004 3.498 9.409 1.00 0.00 H new ATOM 0 HE1 PHE A 125 11.227 5.793 10.750 1.00 0.00 H new ATOM 0 HE2 PHE A 125 6.938 5.722 10.517 1.00 0.00 H new ATOM 0 HZ PHE A 125 9.031 6.940 11.046 1.00 0.00 H new ATOM 1943 N PHE A 126 7.140 1.759 6.880 1.00 0.00 N ATOM 1944 CA PHE A 126 5.871 1.985 6.215 1.00 0.00 C ATOM 1945 C PHE A 126 4.918 2.629 7.205 1.00 0.00 C ATOM 1946 O PHE A 126 4.567 2.079 8.247 1.00 0.00 O ATOM 1947 CB PHE A 126 5.312 0.693 5.644 1.00 0.00 C ATOM 1948 CG PHE A 126 6.144 0.088 4.529 1.00 0.00 C ATOM 1949 CD1 PHE A 126 7.510 -0.222 4.684 1.00 0.00 C ATOM 1950 CD2 PHE A 126 5.517 -0.231 3.324 1.00 0.00 C ATOM 1951 CE1 PHE A 126 8.246 -0.781 3.634 1.00 0.00 C ATOM 1952 CE2 PHE A 126 6.218 -0.884 2.302 1.00 0.00 C ATOM 1953 CZ PHE A 126 7.604 -1.102 2.429 1.00 0.00 C ATOM 0 H PHE A 126 7.093 1.022 7.584 1.00 0.00 H new ATOM 0 HA PHE A 126 6.011 2.656 5.367 1.00 0.00 H new ATOM 0 HB2 PHE A 126 5.221 -0.036 6.449 1.00 0.00 H new ATOM 0 HB3 PHE A 126 4.306 0.881 5.269 1.00 0.00 H new ATOM 0 HD1 PHE A 126 7.996 -0.025 5.628 1.00 0.00 H new ATOM 0 HD2 PHE A 126 4.479 0.029 3.178 1.00 0.00 H new ATOM 0 HE1 PHE A 126 9.304 -0.965 3.751 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.697 -1.220 1.418 1.00 0.00 H new ATOM 0 HZ PHE A 126 8.168 -1.513 1.605 1.00 0.00 H new ATOM 1963 N GLU A 127 4.517 3.840 6.891 1.00 0.00 N ATOM 1964 CA GLU A 127 3.573 4.607 7.675 1.00 0.00 C ATOM 1965 C GLU A 127 2.223 4.548 6.988 1.00 0.00 C ATOM 1966 O GLU A 127 2.120 4.745 5.788 1.00 0.00 O ATOM 1967 CB GLU A 127 4.039 6.053 7.854 1.00 0.00 C ATOM 1968 CG GLU A 127 5.544 6.152 8.081 1.00 0.00 C ATOM 1969 CD GLU A 127 5.890 7.446 8.834 1.00 0.00 C ATOM 1970 OE1 GLU A 127 5.498 7.530 10.025 1.00 0.00 O ATOM 1971 OE2 GLU A 127 6.537 8.317 8.210 1.00 0.00 O ATOM 0 H GLU A 127 4.847 4.333 6.061 1.00 0.00 H new ATOM 0 HA GLU A 127 3.497 4.179 8.674 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.768 6.632 6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.516 6.499 8.700 1.00 0.00 H new ATOM 0 HG2 GLU A 127 5.889 5.289 8.651 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.064 6.131 7.124 1.00 0.00 H new ATOM 1978 N LYS A 128 1.174 4.211 7.730 1.00 0.00 N ATOM 1979 CA LYS A 128 -0.217 4.217 7.265 1.00 0.00 C ATOM 1980 C LYS A 128 -0.593 5.554 6.602 1.00 0.00 C ATOM 1981 O LYS A 128 0.111 6.549 6.747 1.00 0.00 O ATOM 1982 CB LYS A 128 -1.200 3.902 8.406 1.00 0.00 C ATOM 1983 CG LYS A 128 -0.659 2.941 9.469 1.00 0.00 C ATOM 1984 CD LYS A 128 0.023 3.703 10.621 1.00 0.00 C ATOM 1985 CE LYS A 128 -1.041 4.148 11.622 1.00 0.00 C ATOM 1986 NZ LYS A 128 -0.520 5.203 12.517 1.00 0.00 N ATOM 0 H LYS A 128 1.266 3.916 8.702 1.00 0.00 H new ATOM 0 HA LYS A 128 -0.295 3.429 6.516 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -1.484 4.836 8.891 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -2.108 3.476 7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.475 2.336 9.864 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.054 2.255 9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 128 0.758 3.065 11.112 1.00 0.00 H new ATOM 0 HD3 LYS A 128 0.561 4.568 10.234 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -1.915 4.519 11.087 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -1.368 3.293 12.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -1.263 5.488 13.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 0.300 4.838 13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -0.230 6.026 11.951 1.00 0.00 H new ATOM 2000 N CYS A 129 -1.739 5.582 5.950 1.00 0.00 N ATOM 2001 CA CYS A 129 -2.243 6.801 5.332 1.00 0.00 C ATOM 2002 C CYS A 129 -3.383 7.404 6.153 1.00 0.00 C ATOM 2003 O CYS A 129 -3.835 6.778 7.121 1.00 0.00 O ATOM 2004 CB CYS A 129 -2.693 6.456 3.920 1.00 0.00 C ATOM 2005 SG CYS A 129 -2.712 7.849 2.785 1.00 0.00 S ATOM 0 H CYS A 129 -2.345 4.770 5.832 1.00 0.00 H new ATOM 0 HA CYS A 129 -1.458 7.556 5.294 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -2.034 5.686 3.520 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -3.694 6.027 3.966 1.00 0.00 H new ATOM 2010 N ASP A 130 -3.838 8.585 5.737 1.00 0.00 N ATOM 2011 CA ASP A 130 -4.878 9.352 6.420 1.00 0.00 C ATOM 2012 C ASP A 130 -5.764 10.206 5.520 1.00 0.00 C ATOM 2013 O ASP A 130 -5.236 11.045 4.758 1.00 0.00 O ATOM 2014 CB ASP A 130 -4.260 10.196 7.541 1.00 0.00 C ATOM 2015 CG ASP A 130 -2.875 10.794 7.248 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -1.837 10.093 7.404 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -2.836 12.027 7.100 1.00 0.00 O ATOM 2018 OXT ASP A 130 -6.987 9.945 5.589 1.00 0.00 O ATOM 0 H ASP A 130 -3.486 9.045 4.897 1.00 0.00 H new ATOM 0 HA ASP A 130 -5.557 8.607 6.835 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -4.944 11.012 7.774 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -4.185 9.578 8.435 1.00 0.00 H new TER 2023 ASP A 130