USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 772 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 6 GLN : amide:sc= -0.371 K(o=-1.7,f=-2.3) USER MOD Set 1.2: A 72 SER OG : rot -150:sc= -1.37! USER MOD Set 2.1: A 17 LYS NZ :NH3+ -165:sc= 0.616 (180deg=-0.42) USER MOD Set 2.2: A 52 THR OG1 : rot -140:sc= 0.781 USER MOD Set 3.1: A 14 LYS NZ :NH3+ 143:sc= 1.26 (180deg=0) USER MOD Set 3.2: A 60 TYR OH : rot 180:sc= 1.04 USER MOD Set 4.1: A 8 GLN : amide:sc= 1.03 K(o=0.71,f=-4.6!) USER MOD Set 4.2: A 96 HIS : no HD1:sc= -0.321 K(o=0.71,f=1.4) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.127 (180deg=-0.609) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 7 LYS NZ :NH3+ -142:sc= -2.16! (180deg=-3.06!) USER MOD Single : A 12 SER OG : rot -180:sc= 1.27 USER MOD Single : A 13 ASN : amide:sc= -0.506 K(o=-0.51,f=-3.6!) USER MOD Single : A 20 ASN : amide:sc= -0.0256 K(o=-0.026,f=-1.7) USER MOD Single : A 24 SER OG : rot -52:sc= 0.0906 USER MOD Single : A 26 GLN : amide:sc= -1.44! K(o=-1.4!,f=-0.55) USER MOD Single : A 27 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.098) USER MOD Single : A 30 SER OG : rot 46:sc= 0.129 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0281 USER MOD Single : A 35 SER OG : rot -109:sc= 1.35 USER MOD Single : A 36 MET CE :methyl -163:sc= -0.101 (180deg=-0.497) USER MOD Single : A 38 TYR OH : rot 69:sc= 0.345 USER MOD Single : A 41 SER OG : rot -121:sc= 0.591 USER MOD Single : A 43 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0553) USER MOD Single : A 46 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.3!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 59 GLN : amide:sc= -0.235 K(o=-0.24,f=-1.2) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 70 THR OG1 : rot 27:sc= 0.47 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.846) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0.0593 USER MOD Single : A 85 THR OG1 : rot 59:sc= 0.466 USER MOD Single : A 88 ASN : amide:sc= -0.0351 K(o=-0.035,f=-0.75) USER MOD Single : A 92 HIS : no HD1:sc= -0.057 X(o=-0.057,f=-0.076) USER MOD Single : A 93 HIS : no HE2:sc= 0.65 K(o=0.65,f=-4!) USER MOD Single : A 94 HIS : no HE2:sc= 1.25 K(o=1.3,f=-4.9!) USER MOD Single : A 95 HIS : no HD1:sc= -0.34 X(o=-0.34,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.308 -16.920 -5.453 1.00 0.00 N ATOM 2 CA MET A 1 10.426 -17.402 -6.538 1.00 0.00 C ATOM 3 C MET A 1 9.080 -17.829 -5.984 1.00 0.00 C ATOM 4 O MET A 1 8.973 -18.847 -5.301 1.00 0.00 O ATOM 5 CB MET A 1 11.073 -18.571 -7.285 1.00 0.00 C ATOM 6 CG MET A 1 12.205 -18.147 -8.202 1.00 0.00 C ATOM 7 SD MET A 1 11.664 -16.962 -9.449 1.00 0.00 S ATOM 8 CE MET A 1 10.424 -17.922 -10.318 1.00 0.00 C ATOM 0 H1 MET A 1 12.224 -16.632 -5.852 1.00 0.00 H new ATOM 0 H2 MET A 1 10.865 -16.106 -4.981 1.00 0.00 H new ATOM 0 H3 MET A 1 11.456 -17.682 -4.761 1.00 0.00 H new ATOM 0 HA MET A 1 10.275 -16.579 -7.237 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.453 -19.290 -6.560 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.311 -19.083 -7.873 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.006 -17.707 -7.608 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.620 -19.026 -8.695 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.241 -17.479 -11.297 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.778 -18.945 -10.443 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.498 -17.926 -9.743 1.00 0.00 H new ATOM 20 N ALA A 2 8.058 -17.039 -6.278 1.00 0.00 N ATOM 21 CA ALA A 2 6.701 -17.325 -5.840 1.00 0.00 C ATOM 22 C ALA A 2 5.719 -16.445 -6.600 1.00 0.00 C ATOM 23 O ALA A 2 6.073 -15.336 -6.999 1.00 0.00 O ATOM 24 CB ALA A 2 6.563 -17.097 -4.337 1.00 0.00 C ATOM 0 H ALA A 2 8.146 -16.183 -6.826 1.00 0.00 H new ATOM 0 HA ALA A 2 6.477 -18.371 -6.048 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.541 -17.316 -4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.252 -17.753 -3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.798 -16.059 -4.103 1.00 0.00 H new ATOM 30 N PRO A 3 4.486 -16.928 -6.831 1.00 0.00 N ATOM 31 CA PRO A 3 3.434 -16.133 -7.479 1.00 0.00 C ATOM 32 C PRO A 3 3.067 -14.908 -6.648 1.00 0.00 C ATOM 33 O PRO A 3 2.513 -13.935 -7.157 1.00 0.00 O ATOM 34 CB PRO A 3 2.245 -17.098 -7.569 1.00 0.00 C ATOM 35 CG PRO A 3 2.835 -18.457 -7.415 1.00 0.00 C ATOM 36 CD PRO A 3 4.022 -18.289 -6.510 1.00 0.00 C ATOM 0 HA PRO A 3 3.748 -15.749 -8.450 1.00 0.00 H new ATOM 0 HB2 PRO A 3 1.513 -16.895 -6.787 1.00 0.00 H new ATOM 0 HB3 PRO A 3 1.728 -16.999 -8.523 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.112 -19.151 -6.986 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.134 -18.865 -8.381 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.747 -18.386 -5.460 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.791 -19.036 -6.708 1.00 0.00 H new ATOM 44 N LEU A 4 3.374 -14.974 -5.361 1.00 0.00 N ATOM 45 CA LEU A 4 3.168 -13.852 -4.466 1.00 0.00 C ATOM 46 C LEU A 4 4.398 -12.958 -4.495 1.00 0.00 C ATOM 47 O LEU A 4 5.436 -13.299 -3.925 1.00 0.00 O ATOM 48 CB LEU A 4 2.918 -14.349 -3.041 1.00 0.00 C ATOM 49 CG LEU A 4 2.294 -13.338 -2.087 1.00 0.00 C ATOM 50 CD1 LEU A 4 0.962 -12.846 -2.630 1.00 0.00 C ATOM 51 CD2 LEU A 4 2.116 -13.969 -0.716 1.00 0.00 C ATOM 0 H LEU A 4 3.770 -15.801 -4.913 1.00 0.00 H new ATOM 0 HA LEU A 4 2.296 -13.286 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.269 -15.223 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.867 -14.680 -2.620 1.00 0.00 H new ATOM 0 HG LEU A 4 2.958 -12.479 -1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.530 -12.125 -1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.117 -12.370 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.282 -13.690 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.670 -13.243 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.464 -14.839 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.087 -14.279 -0.329 1.00 0.00 H new ATOM 63 N GLN A 5 4.289 -11.836 -5.179 1.00 0.00 N ATOM 64 CA GLN A 5 5.410 -10.927 -5.323 1.00 0.00 C ATOM 65 C GLN A 5 5.537 -10.066 -4.074 1.00 0.00 C ATOM 66 O GLN A 5 4.596 -9.361 -3.699 1.00 0.00 O ATOM 67 CB GLN A 5 5.226 -10.065 -6.573 1.00 0.00 C ATOM 68 CG GLN A 5 5.024 -10.891 -7.835 1.00 0.00 C ATOM 69 CD GLN A 5 4.857 -10.050 -9.084 1.00 0.00 C ATOM 70 OE1 GLN A 5 4.366 -8.923 -9.037 1.00 0.00 O ATOM 71 NE2 GLN A 5 5.265 -10.598 -10.218 1.00 0.00 N ATOM 0 H GLN A 5 3.434 -11.531 -5.645 1.00 0.00 H new ATOM 0 HA GLN A 5 6.331 -11.498 -5.440 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.367 -9.408 -6.433 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.099 -9.425 -6.699 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.877 -11.556 -7.965 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.144 -11.522 -7.710 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.667 -11.535 -10.216 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.177 -10.083 -11.094 1.00 0.00 H new ATOM 80 N GLN A 6 6.689 -10.155 -3.415 1.00 0.00 N ATOM 81 CA GLN A 6 6.906 -9.459 -2.156 1.00 0.00 C ATOM 82 C GLN A 6 8.282 -8.807 -2.101 1.00 0.00 C ATOM 83 O GLN A 6 9.258 -9.340 -2.635 1.00 0.00 O ATOM 84 CB GLN A 6 6.782 -10.423 -0.974 1.00 0.00 C ATOM 85 CG GLN A 6 5.415 -11.065 -0.820 1.00 0.00 C ATOM 86 CD GLN A 6 5.338 -11.949 0.408 1.00 0.00 C ATOM 87 OE1 GLN A 6 6.337 -12.526 0.836 1.00 0.00 O ATOM 88 NE2 GLN A 6 4.154 -12.066 0.985 1.00 0.00 N ATOM 0 H GLN A 6 7.487 -10.704 -3.735 1.00 0.00 H new ATOM 0 HA GLN A 6 6.141 -8.685 -2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.528 -11.210 -1.085 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.021 -9.885 -0.057 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.654 -10.287 -0.755 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.190 -11.657 -1.707 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.348 -11.572 0.601 1.00 0.00 H new ATOM 0 HE22 GLN A 6 4.046 -12.650 1.814 1.00 0.00 H new ATOM 97 N LYS A 7 8.334 -7.646 -1.461 1.00 0.00 N ATOM 98 CA LYS A 7 9.585 -6.993 -1.098 1.00 0.00 C ATOM 99 C LYS A 7 9.267 -5.848 -0.146 1.00 0.00 C ATOM 100 O LYS A 7 8.104 -5.457 -0.024 1.00 0.00 O ATOM 101 CB LYS A 7 10.340 -6.456 -2.326 1.00 0.00 C ATOM 102 CG LYS A 7 11.754 -5.992 -1.993 1.00 0.00 C ATOM 103 CD LYS A 7 12.442 -5.308 -3.158 1.00 0.00 C ATOM 104 CE LYS A 7 13.864 -4.903 -2.791 1.00 0.00 C ATOM 105 NZ LYS A 7 13.920 -4.089 -1.543 1.00 0.00 N ATOM 0 H LYS A 7 7.503 -7.127 -1.177 1.00 0.00 H new ATOM 0 HA LYS A 7 10.234 -7.728 -0.623 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.388 -7.235 -3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.781 -5.625 -2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.716 -5.306 -1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.348 -6.851 -1.680 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.461 -5.978 -4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.874 -4.426 -3.454 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.473 -5.798 -2.665 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.300 -4.334 -3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.642 -3.347 -1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.993 -3.649 -1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.164 -4.702 -0.739 1.00 0.00 H new ATOM 119 N GLN A 8 10.278 -5.327 0.534 1.00 0.00 N ATOM 120 CA GLN A 8 10.096 -4.174 1.394 1.00 0.00 C ATOM 121 C GLN A 8 9.980 -2.913 0.542 1.00 0.00 C ATOM 122 O GLN A 8 10.885 -2.584 -0.231 1.00 0.00 O ATOM 123 CB GLN A 8 11.265 -4.063 2.377 1.00 0.00 C ATOM 124 CG GLN A 8 11.092 -2.978 3.423 1.00 0.00 C ATOM 125 CD GLN A 8 12.145 -3.044 4.512 1.00 0.00 C ATOM 126 OE1 GLN A 8 13.280 -3.457 4.275 1.00 0.00 O ATOM 127 NE2 GLN A 8 11.775 -2.648 5.719 1.00 0.00 N ATOM 0 H GLN A 8 11.232 -5.687 0.505 1.00 0.00 H new ATOM 0 HA GLN A 8 9.178 -4.291 1.970 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.395 -5.021 2.880 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.180 -3.871 1.817 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.136 -2.002 2.939 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.103 -3.067 3.873 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.825 -2.312 5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.440 -2.679 6.492 1.00 0.00 H new ATOM 136 N VAL A 9 8.843 -2.240 0.658 1.00 0.00 N ATOM 137 CA VAL A 9 8.552 -1.051 -0.130 1.00 0.00 C ATOM 138 C VAL A 9 8.296 0.151 0.767 1.00 0.00 C ATOM 139 O VAL A 9 8.321 0.039 1.995 1.00 0.00 O ATOM 140 CB VAL A 9 7.321 -1.255 -1.042 1.00 0.00 C ATOM 141 CG1 VAL A 9 7.625 -2.264 -2.140 1.00 0.00 C ATOM 142 CG2 VAL A 9 6.114 -1.694 -0.224 1.00 0.00 C ATOM 0 H VAL A 9 8.097 -2.503 1.301 1.00 0.00 H new ATOM 0 HA VAL A 9 9.430 -0.869 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 9 7.084 -0.302 -1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.745 -2.392 -2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.456 -1.903 -2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.892 -3.221 -1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.258 -1.832 -0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.339 -2.634 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.880 -0.931 0.518 1.00 0.00 H new ATOM 152 N VAL A 10 8.049 1.295 0.146 1.00 0.00 N ATOM 153 CA VAL A 10 7.784 2.525 0.875 1.00 0.00 C ATOM 154 C VAL A 10 6.346 2.984 0.668 1.00 0.00 C ATOM 155 O VAL A 10 5.926 3.225 -0.461 1.00 0.00 O ATOM 156 CB VAL A 10 8.716 3.665 0.411 1.00 0.00 C ATOM 157 CG1 VAL A 10 8.543 4.896 1.289 1.00 0.00 C ATOM 158 CG2 VAL A 10 10.168 3.215 0.399 1.00 0.00 C ATOM 0 H VAL A 10 8.027 1.396 -0.869 1.00 0.00 H new ATOM 0 HA VAL A 10 7.961 2.307 1.928 1.00 0.00 H new ATOM 0 HB VAL A 10 8.437 3.930 -0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.210 5.686 0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.511 5.241 1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.785 4.643 2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.801 4.038 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.463 2.911 1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.282 2.373 -0.283 1.00 0.00 H new ATOM 168 N VAL A 11 5.590 3.087 1.750 1.00 0.00 N ATOM 169 CA VAL A 11 4.299 3.754 1.701 1.00 0.00 C ATOM 170 C VAL A 11 4.545 5.258 1.662 1.00 0.00 C ATOM 171 O VAL A 11 4.770 5.887 2.695 1.00 0.00 O ATOM 172 CB VAL A 11 3.423 3.381 2.915 1.00 0.00 C ATOM 173 CG1 VAL A 11 2.027 3.972 2.781 1.00 0.00 C ATOM 174 CG2 VAL A 11 3.356 1.868 3.068 1.00 0.00 C ATOM 0 H VAL A 11 5.846 2.720 2.667 1.00 0.00 H new ATOM 0 HA VAL A 11 3.759 3.433 0.810 1.00 0.00 H new ATOM 0 HB VAL A 11 3.878 3.802 3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.429 3.694 3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.096 5.058 2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.554 3.587 1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.735 1.616 3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.924 1.430 2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.361 1.473 3.218 1.00 0.00 H new ATOM 184 N SER A 12 4.531 5.819 0.463 1.00 0.00 N ATOM 185 CA SER A 12 5.063 7.153 0.230 1.00 0.00 C ATOM 186 C SER A 12 4.054 8.266 0.508 1.00 0.00 C ATOM 187 O SER A 12 4.420 9.309 1.053 1.00 0.00 O ATOM 188 CB SER A 12 5.567 7.244 -1.210 1.00 0.00 C ATOM 189 OG SER A 12 4.628 6.673 -2.104 1.00 0.00 O ATOM 0 H SER A 12 4.154 5.367 -0.370 1.00 0.00 H new ATOM 0 HA SER A 12 5.881 7.304 0.935 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.742 8.287 -1.475 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.523 6.728 -1.300 1.00 0.00 H new ATOM 0 HG SER A 12 4.969 6.736 -3.021 1.00 0.00 H new ATOM 195 N ASN A 13 2.800 8.062 0.133 1.00 0.00 N ATOM 196 CA ASN A 13 1.803 9.120 0.253 1.00 0.00 C ATOM 197 C ASN A 13 0.389 8.549 0.167 1.00 0.00 C ATOM 198 O ASN A 13 0.207 7.368 -0.123 1.00 0.00 O ATOM 199 CB ASN A 13 2.027 10.163 -0.854 1.00 0.00 C ATOM 200 CG ASN A 13 1.179 11.412 -0.691 1.00 0.00 C ATOM 201 OD1 ASN A 13 0.845 11.817 0.425 1.00 0.00 O ATOM 202 ND2 ASN A 13 0.818 12.027 -1.805 1.00 0.00 N ATOM 0 H ASN A 13 2.449 7.185 -0.253 1.00 0.00 H new ATOM 0 HA ASN A 13 1.913 9.597 1.227 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.079 10.447 -0.867 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.808 9.708 -1.820 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.243 12.868 -1.760 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.115 11.660 -2.709 1.00 0.00 H new ATOM 209 N LYS A 14 -0.601 9.393 0.423 1.00 0.00 N ATOM 210 CA LYS A 14 -2.001 9.006 0.347 1.00 0.00 C ATOM 211 C LYS A 14 -2.745 9.942 -0.600 1.00 0.00 C ATOM 212 O LYS A 14 -2.477 11.143 -0.631 1.00 0.00 O ATOM 213 CB LYS A 14 -2.629 9.048 1.743 1.00 0.00 C ATOM 214 CG LYS A 14 -2.415 10.371 2.461 1.00 0.00 C ATOM 215 CD LYS A 14 -2.946 10.333 3.881 1.00 0.00 C ATOM 216 CE LYS A 14 -2.635 11.621 4.622 1.00 0.00 C ATOM 217 NZ LYS A 14 -3.074 11.561 6.039 1.00 0.00 N ATOM 0 H LYS A 14 -0.455 10.367 0.690 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.073 7.989 -0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.699 8.858 1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.209 8.243 2.347 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.351 10.608 2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.911 11.169 1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.024 10.172 3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.506 9.490 4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.563 11.814 4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.128 12.455 4.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.384 12.059 6.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.005 12.014 6.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.140 10.568 6.340 1.00 0.00 H new ATOM 231 N ARG A 15 -3.666 9.394 -1.382 1.00 0.00 N ATOM 232 CA ARG A 15 -4.398 10.186 -2.366 1.00 0.00 C ATOM 233 C ARG A 15 -5.849 9.731 -2.475 1.00 0.00 C ATOM 234 O ARG A 15 -6.285 8.836 -1.750 1.00 0.00 O ATOM 235 CB ARG A 15 -3.723 10.105 -3.742 1.00 0.00 C ATOM 236 CG ARG A 15 -2.415 10.874 -3.833 1.00 0.00 C ATOM 237 CD ARG A 15 -1.862 10.869 -5.247 1.00 0.00 C ATOM 238 NE ARG A 15 -0.703 11.749 -5.383 1.00 0.00 N ATOM 239 CZ ARG A 15 -0.649 12.779 -6.228 1.00 0.00 C ATOM 240 NH1 ARG A 15 -1.664 13.020 -7.047 1.00 0.00 N ATOM 241 NH2 ARG A 15 0.426 13.555 -6.265 1.00 0.00 N ATOM 0 H ARG A 15 -3.924 8.408 -1.356 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.386 11.221 -2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.535 9.059 -3.983 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.411 10.487 -4.496 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.573 11.902 -3.507 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.685 10.433 -3.154 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.580 9.853 -5.523 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.640 11.184 -5.942 1.00 0.00 H new ATOM 0 HE ARG A 15 0.112 11.565 -4.798 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.487 12.417 -7.031 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.622 13.808 -7.693 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.214 13.364 -5.646 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.465 14.342 -6.912 1.00 0.00 H new ATOM 255 N GLU A 16 -6.584 10.362 -3.381 1.00 0.00 N ATOM 256 CA GLU A 16 -7.978 10.024 -3.626 1.00 0.00 C ATOM 257 C GLU A 16 -8.295 10.166 -5.109 1.00 0.00 C ATOM 258 O GLU A 16 -8.136 11.246 -5.685 1.00 0.00 O ATOM 259 CB GLU A 16 -8.906 10.935 -2.817 1.00 0.00 C ATOM 260 CG GLU A 16 -10.382 10.639 -3.037 1.00 0.00 C ATOM 261 CD GLU A 16 -11.291 11.727 -2.503 1.00 0.00 C ATOM 262 OE1 GLU A 16 -11.609 12.668 -3.264 1.00 0.00 O ATOM 263 OE2 GLU A 16 -11.699 11.647 -1.329 1.00 0.00 O ATOM 0 H GLU A 16 -6.231 11.120 -3.965 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.139 8.992 -3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.675 10.828 -1.757 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.707 11.973 -3.083 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.566 10.511 -4.104 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.633 9.694 -2.555 1.00 0.00 H new ATOM 270 N LYS A 17 -8.716 9.076 -5.729 1.00 0.00 N ATOM 271 CA LYS A 17 -9.141 9.109 -7.121 1.00 0.00 C ATOM 272 C LYS A 17 -10.637 8.829 -7.218 1.00 0.00 C ATOM 273 O LYS A 17 -11.170 7.999 -6.476 1.00 0.00 O ATOM 274 CB LYS A 17 -8.355 8.089 -7.946 1.00 0.00 C ATOM 275 CG LYS A 17 -6.851 8.313 -7.917 1.00 0.00 C ATOM 276 CD LYS A 17 -6.109 7.216 -8.661 1.00 0.00 C ATOM 277 CE LYS A 17 -4.617 7.262 -8.373 1.00 0.00 C ATOM 278 NZ LYS A 17 -3.911 6.073 -8.918 1.00 0.00 N ATOM 0 H LYS A 17 -8.773 8.156 -5.291 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.942 10.102 -7.523 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.572 7.088 -7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.700 8.127 -8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.618 9.279 -8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.508 8.349 -6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.507 6.244 -8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.278 7.323 -9.733 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.191 8.167 -8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.457 7.318 -7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.964 6.007 -8.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.452 5.214 -8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.823 6.165 -9.950 1.00 0.00 H new ATOM 292 N PRO A 18 -11.340 9.541 -8.110 1.00 0.00 N ATOM 293 CA PRO A 18 -12.774 9.346 -8.328 1.00 0.00 C ATOM 294 C PRO A 18 -13.070 8.014 -9.010 1.00 0.00 C ATOM 295 O PRO A 18 -12.745 7.816 -10.182 1.00 0.00 O ATOM 296 CB PRO A 18 -13.177 10.514 -9.242 1.00 0.00 C ATOM 297 CG PRO A 18 -12.011 11.445 -9.245 1.00 0.00 C ATOM 298 CD PRO A 18 -10.802 10.600 -8.970 1.00 0.00 C ATOM 0 HA PRO A 18 -13.325 9.325 -7.388 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.401 10.164 -10.250 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.074 11.010 -8.871 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.921 11.953 -10.205 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.127 12.218 -8.485 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.372 10.198 -9.887 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.016 11.167 -8.471 1.00 0.00 H new ATOM 306 N VAL A 19 -13.668 7.098 -8.263 1.00 0.00 N ATOM 307 CA VAL A 19 -13.998 5.781 -8.787 1.00 0.00 C ATOM 308 C VAL A 19 -15.200 5.861 -9.722 1.00 0.00 C ATOM 309 O VAL A 19 -16.285 6.289 -9.322 1.00 0.00 O ATOM 310 CB VAL A 19 -14.296 4.778 -7.652 1.00 0.00 C ATOM 311 CG1 VAL A 19 -14.596 3.395 -8.214 1.00 0.00 C ATOM 312 CG2 VAL A 19 -13.131 4.716 -6.674 1.00 0.00 C ATOM 0 H VAL A 19 -13.935 7.243 -7.289 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.129 5.427 -9.342 1.00 0.00 H new ATOM 0 HB VAL A 19 -15.179 5.125 -7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -14.803 2.706 -7.395 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -15.465 3.449 -8.870 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.736 3.038 -8.780 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.359 4.004 -5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.231 4.397 -7.200 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -12.967 5.702 -6.240 1.00 0.00 H new ATOM 322 N ASN A 20 -14.994 5.460 -10.970 1.00 0.00 N ATOM 323 CA ASN A 20 -16.056 5.477 -11.968 1.00 0.00 C ATOM 324 C ASN A 20 -16.891 4.204 -11.886 1.00 0.00 C ATOM 325 O ASN A 20 -18.111 4.259 -11.736 1.00 0.00 O ATOM 326 CB ASN A 20 -15.463 5.623 -13.371 1.00 0.00 C ATOM 327 CG ASN A 20 -16.527 5.706 -14.450 1.00 0.00 C ATOM 328 OD1 ASN A 20 -17.618 6.229 -14.230 1.00 0.00 O ATOM 329 ND2 ASN A 20 -16.216 5.180 -15.624 1.00 0.00 N ATOM 0 H ASN A 20 -14.098 5.118 -11.316 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.702 6.331 -11.765 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -14.843 6.519 -13.408 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -14.810 4.775 -13.575 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.893 5.199 -16.387 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.300 4.755 -15.766 1.00 0.00 H new ATOM 336 N ASP A 21 -16.223 3.055 -11.977 1.00 0.00 N ATOM 337 CA ASP A 21 -16.900 1.764 -11.894 1.00 0.00 C ATOM 338 C ASP A 21 -17.427 1.533 -10.484 1.00 0.00 C ATOM 339 O ASP A 21 -16.705 1.070 -9.604 1.00 0.00 O ATOM 340 CB ASP A 21 -15.960 0.620 -12.290 1.00 0.00 C ATOM 341 CG ASP A 21 -15.483 0.720 -13.724 1.00 0.00 C ATOM 342 OD1 ASP A 21 -16.189 0.225 -14.630 1.00 0.00 O ATOM 343 OD2 ASP A 21 -14.398 1.289 -13.957 1.00 0.00 O ATOM 0 H ASP A 21 -15.213 2.993 -12.108 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.736 1.780 -12.593 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.097 0.619 -11.624 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -16.473 -0.331 -12.148 1.00 0.00 H new ATOM 348 N ARG A 22 -18.685 1.884 -10.274 1.00 0.00 N ATOM 349 CA ARG A 22 -19.300 1.773 -8.963 1.00 0.00 C ATOM 350 C ARG A 22 -20.488 0.823 -9.004 1.00 0.00 C ATOM 351 O ARG A 22 -20.969 0.461 -10.075 1.00 0.00 O ATOM 352 CB ARG A 22 -19.754 3.150 -8.472 1.00 0.00 C ATOM 353 CG ARG A 22 -18.627 4.166 -8.385 1.00 0.00 C ATOM 354 CD ARG A 22 -19.136 5.544 -7.995 1.00 0.00 C ATOM 355 NE ARG A 22 -20.178 6.023 -8.905 1.00 0.00 N ATOM 356 CZ ARG A 22 -19.963 6.875 -9.907 1.00 0.00 C ATOM 357 NH1 ARG A 22 -18.734 7.312 -10.171 1.00 0.00 N ATOM 358 NH2 ARG A 22 -20.982 7.273 -10.659 1.00 0.00 N ATOM 0 H ARG A 22 -19.302 2.250 -10.999 1.00 0.00 H new ATOM 0 HA ARG A 22 -18.558 1.374 -8.272 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -20.524 3.530 -9.143 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -20.213 3.043 -7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -17.891 3.830 -7.654 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.117 4.226 -9.346 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -19.530 5.511 -6.979 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.305 6.250 -7.992 1.00 0.00 H new ATOM 0 HE ARG A 22 -21.129 5.683 -8.763 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -17.947 6.995 -9.604 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.579 7.964 -10.940 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -21.922 6.927 -10.468 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -20.825 7.925 -11.428 1.00 0.00 H new ATOM 372 N ARG A 23 -20.962 0.444 -7.824 1.00 0.00 N ATOM 373 CA ARG A 23 -22.112 -0.445 -7.695 1.00 0.00 C ATOM 374 C ARG A 23 -23.405 0.363 -7.640 1.00 0.00 C ATOM 375 O ARG A 23 -24.472 -0.170 -7.347 1.00 0.00 O ATOM 376 CB ARG A 23 -21.969 -1.298 -6.432 1.00 0.00 C ATOM 377 CG ARG A 23 -20.810 -2.279 -6.490 1.00 0.00 C ATOM 378 CD ARG A 23 -20.501 -2.861 -5.120 1.00 0.00 C ATOM 379 NE ARG A 23 -21.657 -3.523 -4.517 1.00 0.00 N ATOM 380 CZ ARG A 23 -21.675 -4.007 -3.276 1.00 0.00 C ATOM 381 NH1 ARG A 23 -20.589 -3.943 -2.513 1.00 0.00 N ATOM 382 NH2 ARG A 23 -22.779 -4.570 -2.811 1.00 0.00 N ATOM 0 H ARG A 23 -20.564 0.742 -6.933 1.00 0.00 H new ATOM 0 HA ARG A 23 -22.150 -1.100 -8.565 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -21.835 -0.641 -5.573 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -22.894 -1.851 -6.270 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -21.049 -3.085 -7.183 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -19.925 -1.776 -6.880 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -19.683 -3.576 -5.209 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -20.158 -2.064 -4.460 1.00 0.00 H new ATOM 0 HE ARG A 23 -22.501 -3.620 -5.081 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -19.734 -3.521 -2.877 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -20.610 -4.316 -1.564 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -23.608 -4.631 -3.402 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -22.801 -4.943 -1.862 1.00 0.00 H new ATOM 396 N SER A 24 -23.292 1.650 -7.932 1.00 0.00 N ATOM 397 CA SER A 24 -24.433 2.550 -7.906 1.00 0.00 C ATOM 398 C SER A 24 -24.487 3.338 -9.214 1.00 0.00 C ATOM 399 O SER A 24 -24.838 4.518 -9.228 1.00 0.00 O ATOM 400 CB SER A 24 -24.323 3.497 -6.703 1.00 0.00 C ATOM 401 OG SER A 24 -25.553 4.152 -6.435 1.00 0.00 O ATOM 0 H SER A 24 -22.413 2.097 -8.192 1.00 0.00 H new ATOM 0 HA SER A 24 -25.353 1.975 -7.805 1.00 0.00 H new ATOM 0 HB2 SER A 24 -24.012 2.933 -5.824 1.00 0.00 H new ATOM 0 HB3 SER A 24 -23.549 4.240 -6.895 1.00 0.00 H new ATOM 0 HG SER A 24 -25.881 4.580 -7.253 1.00 0.00 H new ATOM 407 N ARG A 25 -24.126 2.654 -10.308 1.00 0.00 N ATOM 408 CA ARG A 25 -24.122 3.237 -11.656 1.00 0.00 C ATOM 409 C ARG A 25 -22.981 4.240 -11.831 1.00 0.00 C ATOM 410 O ARG A 25 -22.390 4.709 -10.854 1.00 0.00 O ATOM 411 CB ARG A 25 -25.469 3.898 -11.971 1.00 0.00 C ATOM 412 CG ARG A 25 -26.626 2.916 -12.043 1.00 0.00 C ATOM 413 CD ARG A 25 -27.953 3.614 -11.811 1.00 0.00 C ATOM 414 NE ARG A 25 -28.033 4.168 -10.461 1.00 0.00 N ATOM 415 CZ ARG A 25 -28.730 5.253 -10.138 1.00 0.00 C ATOM 416 NH1 ARG A 25 -29.453 5.878 -11.057 1.00 0.00 N ATOM 417 NH2 ARG A 25 -28.706 5.711 -8.891 1.00 0.00 N ATOM 0 H ARG A 25 -23.828 1.679 -10.283 1.00 0.00 H new ATOM 0 HA ARG A 25 -23.962 2.422 -12.362 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -25.685 4.646 -11.208 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -25.392 4.426 -12.921 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -26.634 2.430 -13.018 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -26.489 2.133 -11.297 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -28.079 4.413 -12.542 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -28.769 2.908 -11.966 1.00 0.00 H new ATOM 0 HE ARG A 25 -27.521 3.691 -9.719 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -29.475 5.527 -12.014 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -29.987 6.710 -10.807 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -28.153 5.230 -8.182 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -29.241 6.543 -8.643 1.00 0.00 H new ATOM 431 N GLN A 26 -22.671 4.557 -13.084 1.00 0.00 N ATOM 432 CA GLN A 26 -21.575 5.465 -13.399 1.00 0.00 C ATOM 433 C GLN A 26 -22.105 6.855 -13.721 1.00 0.00 C ATOM 434 O GLN A 26 -21.551 7.865 -13.281 1.00 0.00 O ATOM 435 CB GLN A 26 -20.763 4.938 -14.582 1.00 0.00 C ATOM 436 CG GLN A 26 -20.098 3.597 -14.323 1.00 0.00 C ATOM 437 CD GLN A 26 -19.284 3.113 -15.507 1.00 0.00 C ATOM 438 OE1 GLN A 26 -19.606 3.403 -16.661 1.00 0.00 O ATOM 439 NE2 GLN A 26 -18.223 2.378 -15.231 1.00 0.00 N ATOM 0 H GLN A 26 -23.166 4.197 -13.900 1.00 0.00 H new ATOM 0 HA GLN A 26 -20.928 5.527 -12.524 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.419 4.846 -15.448 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -19.996 5.669 -14.839 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -19.450 3.679 -13.450 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -20.862 2.857 -14.084 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.991 2.161 -14.262 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -17.635 2.027 -15.987 1.00 0.00 H new ATOM 448 N GLN A 27 -23.184 6.903 -14.488 1.00 0.00 N ATOM 449 CA GLN A 27 -23.787 8.168 -14.868 1.00 0.00 C ATOM 450 C GLN A 27 -24.596 8.736 -13.709 1.00 0.00 C ATOM 451 O GLN A 27 -25.763 8.397 -13.522 1.00 0.00 O ATOM 452 CB GLN A 27 -24.659 7.996 -16.120 1.00 0.00 C ATOM 453 CG GLN A 27 -25.368 9.268 -16.580 1.00 0.00 C ATOM 454 CD GLN A 27 -24.439 10.463 -16.698 1.00 0.00 C ATOM 455 OE1 GLN A 27 -23.799 10.674 -17.729 1.00 0.00 O ATOM 456 NE2 GLN A 27 -24.399 11.284 -15.660 1.00 0.00 N ATOM 0 H GLN A 27 -23.659 6.080 -14.859 1.00 0.00 H new ATOM 0 HA GLN A 27 -22.994 8.876 -15.108 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -24.034 7.629 -16.934 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -25.408 7.229 -15.923 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -25.838 9.085 -17.546 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -26.167 9.505 -15.877 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -24.943 11.075 -14.823 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -23.824 12.125 -15.697 1.00 0.00 H new ATOM 465 N GLU A 28 -23.943 9.576 -12.920 1.00 0.00 N ATOM 466 CA GLU A 28 -24.573 10.264 -11.804 1.00 0.00 C ATOM 467 C GLU A 28 -24.007 11.670 -11.689 1.00 0.00 C ATOM 468 O GLU A 28 -22.881 11.923 -12.126 1.00 0.00 O ATOM 469 CB GLU A 28 -24.344 9.499 -10.495 1.00 0.00 C ATOM 470 CG GLU A 28 -25.227 8.272 -10.336 1.00 0.00 C ATOM 471 CD GLU A 28 -26.676 8.629 -10.065 1.00 0.00 C ATOM 472 OE1 GLU A 28 -27.401 8.995 -11.017 1.00 0.00 O ATOM 473 OE2 GLU A 28 -27.098 8.549 -8.893 1.00 0.00 O ATOM 0 H GLU A 28 -22.955 9.801 -13.037 1.00 0.00 H new ATOM 0 HA GLU A 28 -25.646 10.317 -11.986 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -23.299 9.192 -10.443 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -24.520 10.173 -9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -25.169 7.667 -11.241 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -24.848 7.660 -9.518 1.00 0.00 H new ATOM 480 N VAL A 29 -24.788 12.583 -11.123 1.00 0.00 N ATOM 481 CA VAL A 29 -24.338 13.957 -10.926 1.00 0.00 C ATOM 482 C VAL A 29 -23.133 13.998 -9.992 1.00 0.00 C ATOM 483 O VAL A 29 -22.198 14.775 -10.199 1.00 0.00 O ATOM 484 CB VAL A 29 -25.463 14.855 -10.360 1.00 0.00 C ATOM 485 CG1 VAL A 29 -24.960 16.272 -10.122 1.00 0.00 C ATOM 486 CG2 VAL A 29 -26.658 14.869 -11.301 1.00 0.00 C ATOM 0 H VAL A 29 -25.735 12.397 -10.793 1.00 0.00 H new ATOM 0 HA VAL A 29 -24.053 14.345 -11.904 1.00 0.00 H new ATOM 0 HB VAL A 29 -25.778 14.440 -9.403 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -25.770 16.884 -9.724 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -24.137 16.251 -9.408 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -24.613 16.698 -11.063 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -27.440 15.506 -10.887 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -26.351 15.256 -12.273 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -27.040 13.855 -11.419 1.00 0.00 H new ATOM 496 N SER A 30 -23.154 13.149 -8.979 1.00 0.00 N ATOM 497 CA SER A 30 -22.046 13.040 -8.048 1.00 0.00 C ATOM 498 C SER A 30 -21.039 12.000 -8.544 1.00 0.00 C ATOM 499 O SER A 30 -21.282 10.795 -8.465 1.00 0.00 O ATOM 500 CB SER A 30 -22.571 12.678 -6.657 1.00 0.00 C ATOM 501 OG SER A 30 -23.520 11.623 -6.727 1.00 0.00 O ATOM 0 H SER A 30 -23.933 12.521 -8.780 1.00 0.00 H new ATOM 0 HA SER A 30 -21.534 14.000 -7.983 1.00 0.00 H new ATOM 0 HB2 SER A 30 -21.740 12.382 -6.017 1.00 0.00 H new ATOM 0 HB3 SER A 30 -23.030 13.554 -6.199 1.00 0.00 H new ATOM 0 HG SER A 30 -23.177 10.913 -7.309 1.00 0.00 H new ATOM 507 N PRO A 31 -19.892 12.455 -9.074 1.00 0.00 N ATOM 508 CA PRO A 31 -18.890 11.579 -9.659 1.00 0.00 C ATOM 509 C PRO A 31 -17.841 11.127 -8.649 1.00 0.00 C ATOM 510 O PRO A 31 -16.901 10.410 -8.993 1.00 0.00 O ATOM 511 CB PRO A 31 -18.262 12.469 -10.734 1.00 0.00 C ATOM 512 CG PRO A 31 -18.439 13.879 -10.251 1.00 0.00 C ATOM 513 CD PRO A 31 -19.480 13.864 -9.153 1.00 0.00 C ATOM 0 HA PRO A 31 -19.318 10.651 -10.038 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -17.207 12.232 -10.871 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -18.749 12.322 -11.698 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.495 14.276 -9.877 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.756 14.526 -11.069 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -19.067 14.213 -8.207 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -20.322 14.513 -9.392 1.00 0.00 H new ATOM 521 N ALA A 32 -18.006 11.543 -7.401 1.00 0.00 N ATOM 522 CA ALA A 32 -17.058 11.198 -6.357 1.00 0.00 C ATOM 523 C ALA A 32 -17.745 10.465 -5.210 1.00 0.00 C ATOM 524 O ALA A 32 -17.622 9.248 -5.078 1.00 0.00 O ATOM 525 CB ALA A 32 -16.349 12.445 -5.852 1.00 0.00 C ATOM 0 H ALA A 32 -18.788 12.119 -7.089 1.00 0.00 H new ATOM 0 HA ALA A 32 -16.314 10.525 -6.783 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -15.642 12.170 -5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.814 12.918 -6.675 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -17.083 13.143 -5.448 1.00 0.00 H new ATOM 531 N GLY A 33 -18.476 11.206 -4.388 1.00 0.00 N ATOM 532 CA GLY A 33 -19.136 10.608 -3.247 1.00 0.00 C ATOM 533 C GLY A 33 -18.337 10.786 -1.973 1.00 0.00 C ATOM 534 O GLY A 33 -17.304 11.459 -1.976 1.00 0.00 O ATOM 0 H GLY A 33 -18.623 12.210 -4.492 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -20.122 11.056 -3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -19.290 9.545 -3.433 1.00 0.00 H new ATOM 538 N THR A 34 -18.802 10.171 -0.892 1.00 0.00 N ATOM 539 CA THR A 34 -18.160 10.296 0.410 1.00 0.00 C ATOM 540 C THR A 34 -16.697 9.843 0.360 1.00 0.00 C ATOM 541 O THR A 34 -16.370 8.824 -0.261 1.00 0.00 O ATOM 542 CB THR A 34 -18.914 9.456 1.455 1.00 0.00 C ATOM 543 OG1 THR A 34 -20.325 9.625 1.271 1.00 0.00 O ATOM 544 CG2 THR A 34 -18.535 9.871 2.870 1.00 0.00 C ATOM 0 H THR A 34 -19.630 9.575 -0.893 1.00 0.00 H new ATOM 0 HA THR A 34 -18.187 11.349 0.690 1.00 0.00 H new ATOM 0 HB THR A 34 -18.640 8.410 1.319 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.808 9.089 1.935 1.00 0.00 H new ATOM 0 HG21 THR A 34 -19.083 9.260 3.587 1.00 0.00 H new ATOM 0 HG22 THR A 34 -17.464 9.729 3.016 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.786 10.921 3.021 1.00 0.00 H new ATOM 552 N SER A 35 -15.825 10.599 1.012 1.00 0.00 N ATOM 553 CA SER A 35 -14.405 10.283 1.037 1.00 0.00 C ATOM 554 C SER A 35 -14.086 9.282 2.145 1.00 0.00 C ATOM 555 O SER A 35 -13.345 9.581 3.080 1.00 0.00 O ATOM 556 CB SER A 35 -13.582 11.562 1.214 1.00 0.00 C ATOM 557 OG SER A 35 -13.758 12.431 0.108 1.00 0.00 O ATOM 0 H SER A 35 -16.078 11.439 1.533 1.00 0.00 H new ATOM 0 HA SER A 35 -14.140 9.824 0.085 1.00 0.00 H new ATOM 0 HB2 SER A 35 -13.882 12.069 2.131 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.527 11.309 1.319 1.00 0.00 H new ATOM 0 HG SER A 35 -12.939 12.447 -0.429 1.00 0.00 H new ATOM 563 N MET A 36 -14.679 8.101 2.042 1.00 0.00 N ATOM 564 CA MET A 36 -14.360 6.997 2.940 1.00 0.00 C ATOM 565 C MET A 36 -13.483 5.995 2.209 1.00 0.00 C ATOM 566 O MET A 36 -13.061 4.982 2.766 1.00 0.00 O ATOM 567 CB MET A 36 -15.636 6.315 3.442 1.00 0.00 C ATOM 568 CG MET A 36 -16.478 7.187 4.359 1.00 0.00 C ATOM 569 SD MET A 36 -15.612 7.646 5.873 1.00 0.00 S ATOM 570 CE MET A 36 -15.385 6.043 6.640 1.00 0.00 C ATOM 0 H MET A 36 -15.387 7.881 1.342 1.00 0.00 H new ATOM 0 HA MET A 36 -13.826 7.389 3.806 1.00 0.00 H new ATOM 0 HB2 MET A 36 -16.239 6.018 2.584 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.364 5.402 3.973 1.00 0.00 H new ATOM 0 HG2 MET A 36 -16.772 8.091 3.825 1.00 0.00 H new ATOM 0 HG3 MET A 36 -17.395 6.657 4.616 1.00 0.00 H new ATOM 0 HE1 MET A 36 -15.146 6.175 7.695 1.00 0.00 H new ATOM 0 HE2 MET A 36 -16.302 5.461 6.546 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.569 5.516 6.146 1.00 0.00 H new ATOM 580 N ARG A 37 -13.216 6.303 0.951 1.00 0.00 N ATOM 581 CA ARG A 37 -12.417 5.450 0.091 1.00 0.00 C ATOM 582 C ARG A 37 -11.103 6.139 -0.261 1.00 0.00 C ATOM 583 O ARG A 37 -11.024 6.919 -1.206 1.00 0.00 O ATOM 584 CB ARG A 37 -13.216 5.062 -1.168 1.00 0.00 C ATOM 585 CG ARG A 37 -14.231 6.116 -1.623 1.00 0.00 C ATOM 586 CD ARG A 37 -13.578 7.242 -2.408 1.00 0.00 C ATOM 587 NE ARG A 37 -14.425 8.431 -2.495 1.00 0.00 N ATOM 588 CZ ARG A 37 -14.173 9.458 -3.308 1.00 0.00 C ATOM 589 NH1 ARG A 37 -13.173 9.388 -4.180 1.00 0.00 N ATOM 590 NH2 ARG A 37 -14.929 10.549 -3.263 1.00 0.00 N ATOM 0 H ARG A 37 -13.549 7.154 0.497 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.175 4.530 0.623 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.517 4.872 -1.983 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.743 4.127 -0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.994 5.641 -2.240 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.738 6.530 -0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.632 7.508 -1.936 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.345 6.892 -3.414 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.253 8.477 -1.902 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.597 8.548 -4.229 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.982 10.174 -4.801 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.706 10.604 -2.605 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.732 11.332 -3.887 1.00 0.00 H new ATOM 604 N TYR A 38 -10.082 5.874 0.532 1.00 0.00 N ATOM 605 CA TYR A 38 -8.791 6.511 0.341 1.00 0.00 C ATOM 606 C TYR A 38 -7.890 5.602 -0.475 1.00 0.00 C ATOM 607 O TYR A 38 -8.218 4.438 -0.698 1.00 0.00 O ATOM 608 CB TYR A 38 -8.135 6.808 1.694 1.00 0.00 C ATOM 609 CG TYR A 38 -9.060 7.469 2.690 1.00 0.00 C ATOM 610 CD1 TYR A 38 -9.327 8.831 2.626 1.00 0.00 C ATOM 611 CD2 TYR A 38 -9.674 6.727 3.690 1.00 0.00 C ATOM 612 CE1 TYR A 38 -10.176 9.433 3.534 1.00 0.00 C ATOM 613 CE2 TYR A 38 -10.527 7.320 4.599 1.00 0.00 C ATOM 614 CZ TYR A 38 -10.774 8.674 4.516 1.00 0.00 C ATOM 615 OH TYR A 38 -11.633 9.267 5.415 1.00 0.00 O ATOM 0 H TYR A 38 -10.121 5.222 1.315 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.939 7.451 -0.190 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.765 5.875 2.120 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.270 7.451 1.534 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.864 9.428 1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.481 5.667 3.758 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.370 10.494 3.474 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.998 6.728 5.370 1.00 0.00 H new ATOM 0 HH TYR A 38 -12.453 9.539 4.953 1.00 0.00 H new ATOM 625 N GLU A 39 -6.773 6.127 -0.935 1.00 0.00 N ATOM 626 CA GLU A 39 -5.784 5.310 -1.612 1.00 0.00 C ATOM 627 C GLU A 39 -4.398 5.616 -1.078 1.00 0.00 C ATOM 628 O GLU A 39 -4.118 6.737 -0.649 1.00 0.00 O ATOM 629 CB GLU A 39 -5.811 5.528 -3.124 1.00 0.00 C ATOM 630 CG GLU A 39 -7.125 5.157 -3.785 1.00 0.00 C ATOM 631 CD GLU A 39 -6.955 4.885 -5.263 1.00 0.00 C ATOM 632 OE1 GLU A 39 -6.441 5.766 -5.981 1.00 0.00 O ATOM 633 OE2 GLU A 39 -7.321 3.781 -5.713 1.00 0.00 O ATOM 0 H GLU A 39 -6.527 7.113 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.031 4.267 -1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.596 6.576 -3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.011 4.943 -3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.540 4.274 -3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.843 5.965 -3.645 1.00 0.00 H new ATOM 640 N ALA A 40 -3.535 4.618 -1.105 1.00 0.00 N ATOM 641 CA ALA A 40 -2.170 4.780 -0.644 1.00 0.00 C ATOM 642 C ALA A 40 -1.195 4.519 -1.779 1.00 0.00 C ATOM 643 O ALA A 40 -1.396 3.611 -2.589 1.00 0.00 O ATOM 644 CB ALA A 40 -1.887 3.851 0.527 1.00 0.00 C ATOM 0 H ALA A 40 -3.757 3.682 -1.443 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.040 5.808 -0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.858 3.987 0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.566 4.082 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.034 2.817 0.215 1.00 0.00 H new ATOM 650 N SER A 41 -0.151 5.326 -1.839 1.00 0.00 N ATOM 651 CA SER A 41 0.856 5.201 -2.871 1.00 0.00 C ATOM 652 C SER A 41 2.007 4.349 -2.357 1.00 0.00 C ATOM 653 O SER A 41 2.635 4.677 -1.347 1.00 0.00 O ATOM 654 CB SER A 41 1.358 6.590 -3.288 1.00 0.00 C ATOM 655 OG SER A 41 2.176 6.525 -4.447 1.00 0.00 O ATOM 0 H SER A 41 0.020 6.082 -1.176 1.00 0.00 H new ATOM 0 HA SER A 41 0.421 4.717 -3.745 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.506 7.243 -3.479 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.922 7.035 -2.468 1.00 0.00 H new ATOM 0 HG SER A 41 3.060 6.896 -4.245 1.00 0.00 H new ATOM 661 N PHE A 42 2.250 3.234 -3.024 1.00 0.00 N ATOM 662 CA PHE A 42 3.349 2.361 -2.667 1.00 0.00 C ATOM 663 C PHE A 42 4.494 2.553 -3.644 1.00 0.00 C ATOM 664 O PHE A 42 4.367 2.262 -4.836 1.00 0.00 O ATOM 665 CB PHE A 42 2.894 0.900 -2.651 1.00 0.00 C ATOM 666 CG PHE A 42 1.881 0.602 -1.579 1.00 0.00 C ATOM 667 CD1 PHE A 42 0.528 0.789 -1.811 1.00 0.00 C ATOM 668 CD2 PHE A 42 2.285 0.136 -0.339 1.00 0.00 C ATOM 669 CE1 PHE A 42 -0.401 0.517 -0.826 1.00 0.00 C ATOM 670 CE2 PHE A 42 1.360 -0.137 0.650 1.00 0.00 C ATOM 671 CZ PHE A 42 0.015 0.053 0.406 1.00 0.00 C ATOM 0 H PHE A 42 1.697 2.913 -3.819 1.00 0.00 H new ATOM 0 HA PHE A 42 3.692 2.618 -1.665 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.469 0.649 -3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.763 0.258 -2.508 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.196 1.151 -2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.336 -0.016 -0.143 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -1.453 0.667 -1.019 1.00 0.00 H new ATOM 0 HE2 PHE A 42 1.689 -0.499 1.613 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.710 -0.161 1.177 1.00 0.00 H new ATOM 681 N LYS A 43 5.596 3.066 -3.130 1.00 0.00 N ATOM 682 CA LYS A 43 6.760 3.349 -3.942 1.00 0.00 C ATOM 683 C LYS A 43 7.735 2.181 -3.875 1.00 0.00 C ATOM 684 O LYS A 43 8.270 1.868 -2.807 1.00 0.00 O ATOM 685 CB LYS A 43 7.442 4.629 -3.449 1.00 0.00 C ATOM 686 CG LYS A 43 8.506 5.159 -4.394 1.00 0.00 C ATOM 687 CD LYS A 43 9.254 6.331 -3.785 1.00 0.00 C ATOM 688 CE LYS A 43 10.109 7.047 -4.818 1.00 0.00 C ATOM 689 NZ LYS A 43 11.024 6.122 -5.540 1.00 0.00 N ATOM 0 H LYS A 43 5.708 3.297 -2.143 1.00 0.00 H new ATOM 0 HA LYS A 43 6.446 3.491 -4.976 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.685 5.399 -3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.896 4.437 -2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.210 4.362 -4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.042 5.469 -5.330 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.541 7.033 -3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.886 5.976 -2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.461 7.547 -5.538 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.696 7.822 -4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.699 6.674 -6.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.543 5.540 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.470 5.504 -6.167 1.00 0.00 H new ATOM 703 N PRO A 44 7.961 1.508 -5.006 1.00 0.00 N ATOM 704 CA PRO A 44 8.894 0.394 -5.082 1.00 0.00 C ATOM 705 C PRO A 44 10.338 0.872 -5.036 1.00 0.00 C ATOM 706 O PRO A 44 10.670 1.926 -5.582 1.00 0.00 O ATOM 707 CB PRO A 44 8.592 -0.258 -6.442 1.00 0.00 C ATOM 708 CG PRO A 44 7.368 0.425 -6.960 1.00 0.00 C ATOM 709 CD PRO A 44 7.326 1.771 -6.300 1.00 0.00 C ATOM 0 HA PRO A 44 8.777 -0.292 -4.243 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.429 -0.134 -7.129 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.425 -1.330 -6.333 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.408 0.525 -8.045 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.473 -0.151 -6.726 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.869 2.522 -6.874 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.305 2.135 -6.185 1.00 0.00 H new ATOM 717 N LEU A 45 11.192 0.104 -4.371 1.00 0.00 N ATOM 718 CA LEU A 45 12.620 0.400 -4.354 1.00 0.00 C ATOM 719 C LEU A 45 13.230 0.039 -5.702 1.00 0.00 C ATOM 720 O LEU A 45 14.346 0.441 -6.030 1.00 0.00 O ATOM 721 CB LEU A 45 13.315 -0.352 -3.216 1.00 0.00 C ATOM 722 CG LEU A 45 12.813 0.007 -1.814 1.00 0.00 C ATOM 723 CD1 LEU A 45 13.539 -0.803 -0.754 1.00 0.00 C ATOM 724 CD2 LEU A 45 12.982 1.495 -1.547 1.00 0.00 C ATOM 0 H LEU A 45 10.923 -0.724 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 45 12.763 1.466 -4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.183 -1.423 -3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.385 -0.152 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 45 11.752 -0.237 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 45 13.165 -0.530 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.366 -1.865 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 45 14.608 -0.596 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.619 1.729 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 45 14.036 1.761 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.411 2.064 -2.281 1.00 0.00 H new ATOM 736 N ASN A 46 12.473 -0.728 -6.476 1.00 0.00 N ATOM 737 CA ASN A 46 12.809 -0.984 -7.863 1.00 0.00 C ATOM 738 C ASN A 46 12.298 0.191 -8.687 1.00 0.00 C ATOM 739 O ASN A 46 11.090 0.339 -8.865 1.00 0.00 O ATOM 740 CB ASN A 46 12.170 -2.297 -8.342 1.00 0.00 C ATOM 741 CG ASN A 46 12.731 -2.785 -9.669 1.00 0.00 C ATOM 742 OD1 ASN A 46 13.183 -1.998 -10.498 1.00 0.00 O ATOM 743 ND2 ASN A 46 12.699 -4.092 -9.882 1.00 0.00 N ATOM 0 H ASN A 46 11.617 -1.185 -6.160 1.00 0.00 H new ATOM 0 HA ASN A 46 13.888 -1.087 -7.977 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.323 -3.066 -7.585 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.094 -2.156 -8.439 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.057 -4.475 -10.757 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.316 -4.715 -9.171 1.00 0.00 H new ATOM 750 N GLY A 47 13.231 1.036 -9.127 1.00 0.00 N ATOM 751 CA GLY A 47 12.898 2.281 -9.810 1.00 0.00 C ATOM 752 C GLY A 47 11.787 2.152 -10.834 1.00 0.00 C ATOM 753 O GLY A 47 11.987 1.610 -11.922 1.00 0.00 O ATOM 0 H GLY A 47 14.233 0.876 -9.020 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.607 3.023 -9.067 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.791 2.660 -10.306 1.00 0.00 H new ATOM 757 N GLY A 48 10.622 2.676 -10.488 1.00 0.00 N ATOM 758 CA GLY A 48 9.477 2.609 -11.369 1.00 0.00 C ATOM 759 C GLY A 48 8.360 3.518 -10.906 1.00 0.00 C ATOM 760 O GLY A 48 8.587 4.426 -10.101 1.00 0.00 O ATOM 0 H GLY A 48 10.449 3.152 -9.602 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.778 2.888 -12.379 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.114 1.582 -11.417 1.00 0.00 H new ATOM 764 N LEU A 49 7.156 3.273 -11.398 1.00 0.00 N ATOM 765 CA LEU A 49 6.007 4.095 -11.050 1.00 0.00 C ATOM 766 C LEU A 49 5.365 3.602 -9.758 1.00 0.00 C ATOM 767 O LEU A 49 5.314 2.398 -9.499 1.00 0.00 O ATOM 768 CB LEU A 49 4.979 4.077 -12.188 1.00 0.00 C ATOM 769 CG LEU A 49 3.754 4.975 -11.983 1.00 0.00 C ATOM 770 CD1 LEU A 49 4.164 6.437 -11.910 1.00 0.00 C ATOM 771 CD2 LEU A 49 2.742 4.757 -13.098 1.00 0.00 C ATOM 0 H LEU A 49 6.948 2.509 -12.041 1.00 0.00 H new ATOM 0 HA LEU A 49 6.350 5.118 -10.898 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.478 4.377 -13.110 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.637 3.052 -12.329 1.00 0.00 H new ATOM 0 HG LEU A 49 3.287 4.706 -11.036 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.279 7.056 -11.764 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.849 6.581 -11.075 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.658 6.723 -12.838 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.878 5.402 -12.937 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.200 4.997 -14.057 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.421 3.715 -13.100 1.00 0.00 H new ATOM 783 N GLU A 50 4.892 4.540 -8.950 1.00 0.00 N ATOM 784 CA GLU A 50 4.205 4.215 -7.710 1.00 0.00 C ATOM 785 C GLU A 50 2.817 3.656 -8.001 1.00 0.00 C ATOM 786 O GLU A 50 2.124 4.134 -8.899 1.00 0.00 O ATOM 787 CB GLU A 50 4.078 5.464 -6.840 1.00 0.00 C ATOM 788 CG GLU A 50 5.408 6.055 -6.413 1.00 0.00 C ATOM 789 CD GLU A 50 5.245 7.394 -5.728 1.00 0.00 C ATOM 790 OE1 GLU A 50 4.841 7.425 -4.548 1.00 0.00 O ATOM 791 OE2 GLU A 50 5.515 8.425 -6.372 1.00 0.00 O ATOM 0 H GLU A 50 4.973 5.540 -9.134 1.00 0.00 H new ATOM 0 HA GLU A 50 4.788 3.461 -7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.515 6.220 -7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.499 5.217 -5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.911 5.363 -5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.049 6.171 -7.287 1.00 0.00 H new ATOM 798 N LYS A 51 2.417 2.648 -7.246 1.00 0.00 N ATOM 799 CA LYS A 51 1.094 2.069 -7.405 1.00 0.00 C ATOM 800 C LYS A 51 0.167 2.565 -6.306 1.00 0.00 C ATOM 801 O LYS A 51 0.485 2.467 -5.121 1.00 0.00 O ATOM 802 CB LYS A 51 1.155 0.538 -7.395 1.00 0.00 C ATOM 803 CG LYS A 51 1.778 -0.059 -8.647 1.00 0.00 C ATOM 804 CD LYS A 51 1.569 -1.565 -8.702 1.00 0.00 C ATOM 805 CE LYS A 51 1.993 -2.146 -10.043 1.00 0.00 C ATOM 806 NZ LYS A 51 3.469 -2.162 -10.215 1.00 0.00 N ATOM 0 H LYS A 51 2.987 2.215 -6.519 1.00 0.00 H new ATOM 0 HA LYS A 51 0.701 2.385 -8.371 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.726 0.212 -6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.145 0.144 -7.280 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.339 0.404 -9.531 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.845 0.164 -8.667 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.139 -2.040 -7.904 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.518 -1.793 -8.523 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.609 -3.162 -10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.543 -1.563 -10.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.706 -2.567 -11.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.836 -1.191 -10.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.900 -2.740 -9.465 1.00 0.00 H new ATOM 820 N THR A 52 -0.972 3.109 -6.704 1.00 0.00 N ATOM 821 CA THR A 52 -1.941 3.620 -5.752 1.00 0.00 C ATOM 822 C THR A 52 -3.038 2.586 -5.518 1.00 0.00 C ATOM 823 O THR A 52 -3.827 2.293 -6.420 1.00 0.00 O ATOM 824 CB THR A 52 -2.576 4.925 -6.265 1.00 0.00 C ATOM 825 OG1 THR A 52 -1.690 5.563 -7.198 1.00 0.00 O ATOM 826 CG2 THR A 52 -2.862 5.878 -5.117 1.00 0.00 C ATOM 0 H THR A 52 -1.247 3.207 -7.681 1.00 0.00 H new ATOM 0 HA THR A 52 -1.421 3.824 -4.816 1.00 0.00 H new ATOM 0 HB THR A 52 -3.516 4.675 -6.756 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.703 6.532 -7.051 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.310 6.792 -5.506 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.550 5.406 -4.416 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.931 6.120 -4.605 1.00 0.00 H new ATOM 834 N PHE A 53 -3.069 2.017 -4.323 1.00 0.00 N ATOM 835 CA PHE A 53 -4.067 1.012 -3.987 1.00 0.00 C ATOM 836 C PHE A 53 -5.134 1.600 -3.078 1.00 0.00 C ATOM 837 O PHE A 53 -4.828 2.339 -2.141 1.00 0.00 O ATOM 838 CB PHE A 53 -3.419 -0.200 -3.314 1.00 0.00 C ATOM 839 CG PHE A 53 -2.568 -1.025 -4.241 1.00 0.00 C ATOM 840 CD1 PHE A 53 -3.154 -1.885 -5.154 1.00 0.00 C ATOM 841 CD2 PHE A 53 -1.186 -0.945 -4.193 1.00 0.00 C ATOM 842 CE1 PHE A 53 -2.378 -2.651 -6.004 1.00 0.00 C ATOM 843 CE2 PHE A 53 -0.404 -1.708 -5.041 1.00 0.00 C ATOM 844 CZ PHE A 53 -1.001 -2.561 -5.946 1.00 0.00 C ATOM 0 H PHE A 53 -2.416 2.233 -3.570 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.535 0.684 -4.915 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.805 0.143 -2.481 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.201 -0.832 -2.894 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.230 -1.958 -5.203 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.714 -0.279 -3.486 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.847 -3.318 -6.712 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.673 -1.636 -4.995 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.392 -3.158 -6.609 1.00 0.00 H new ATOM 854 N ARG A 54 -6.384 1.262 -3.362 1.00 0.00 N ATOM 855 CA ARG A 54 -7.515 1.769 -2.598 1.00 0.00 C ATOM 856 C ARG A 54 -7.595 1.090 -1.235 1.00 0.00 C ATOM 857 O ARG A 54 -7.602 -0.141 -1.139 1.00 0.00 O ATOM 858 CB ARG A 54 -8.814 1.526 -3.364 1.00 0.00 C ATOM 859 CG ARG A 54 -10.051 2.049 -2.653 1.00 0.00 C ATOM 860 CD ARG A 54 -11.214 1.087 -2.802 1.00 0.00 C ATOM 861 NE ARG A 54 -10.923 -0.206 -2.175 1.00 0.00 N ATOM 862 CZ ARG A 54 -11.594 -1.329 -2.425 1.00 0.00 C ATOM 863 NH1 ARG A 54 -12.591 -1.338 -3.301 1.00 0.00 N ATOM 864 NH2 ARG A 54 -11.263 -2.452 -1.805 1.00 0.00 N ATOM 0 H ARG A 54 -6.642 0.633 -4.123 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.373 2.839 -2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.742 1.999 -4.343 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.930 0.456 -3.535 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.831 2.198 -1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.325 3.022 -3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.106 1.520 -2.350 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.433 0.939 -3.860 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.156 -0.248 -1.503 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.849 -0.480 -3.789 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.099 -2.203 -3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.494 -2.457 -1.135 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.778 -3.311 -1.997 1.00 0.00 H new ATOM 878 N LEU A 55 -7.669 1.901 -0.195 1.00 0.00 N ATOM 879 CA LEU A 55 -7.747 1.413 1.172 1.00 0.00 C ATOM 880 C LEU A 55 -8.882 2.106 1.920 1.00 0.00 C ATOM 881 O LEU A 55 -9.105 3.306 1.759 1.00 0.00 O ATOM 882 CB LEU A 55 -6.421 1.654 1.901 1.00 0.00 C ATOM 883 CG LEU A 55 -5.220 0.883 1.351 1.00 0.00 C ATOM 884 CD1 LEU A 55 -3.949 1.283 2.082 1.00 0.00 C ATOM 885 CD2 LEU A 55 -5.449 -0.616 1.472 1.00 0.00 C ATOM 0 H LEU A 55 -7.677 2.918 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.945 0.342 1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.195 2.720 1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.550 1.391 2.951 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.106 1.133 0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.105 0.724 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.774 2.351 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.055 1.061 3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.585 -1.149 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.589 -0.879 2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.338 -0.895 0.906 1.00 0.00 H new ATOM 897 N GLN A 56 -9.605 1.347 2.724 1.00 0.00 N ATOM 898 CA GLN A 56 -10.677 1.904 3.534 1.00 0.00 C ATOM 899 C GLN A 56 -10.078 2.675 4.711 1.00 0.00 C ATOM 900 O GLN A 56 -8.890 2.534 5.007 1.00 0.00 O ATOM 901 CB GLN A 56 -11.580 0.776 4.043 1.00 0.00 C ATOM 902 CG GLN A 56 -12.937 1.240 4.547 1.00 0.00 C ATOM 903 CD GLN A 56 -13.697 0.134 5.253 1.00 0.00 C ATOM 904 OE1 GLN A 56 -13.512 -1.047 4.960 1.00 0.00 O ATOM 905 NE2 GLN A 56 -14.565 0.508 6.177 1.00 0.00 N ATOM 0 H GLN A 56 -9.470 0.342 2.834 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.275 2.586 2.930 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.731 0.056 3.238 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -11.067 0.251 4.848 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.801 2.078 5.230 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.528 1.606 3.708 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.688 1.498 6.390 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.111 -0.193 6.677 1.00 0.00 H new ATOM 914 N ALA A 57 -10.898 3.479 5.382 1.00 0.00 N ATOM 915 CA ALA A 57 -10.454 4.228 6.559 1.00 0.00 C ATOM 916 C ALA A 57 -9.842 3.294 7.600 1.00 0.00 C ATOM 917 O ALA A 57 -8.835 3.618 8.228 1.00 0.00 O ATOM 918 CB ALA A 57 -11.617 5.000 7.160 1.00 0.00 C ATOM 0 H ALA A 57 -11.875 3.630 5.132 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.687 4.935 6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.274 5.553 8.034 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.011 5.698 6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.402 4.304 7.456 1.00 0.00 H new ATOM 924 N GLN A 58 -10.451 2.126 7.756 1.00 0.00 N ATOM 925 CA GLN A 58 -9.973 1.122 8.695 1.00 0.00 C ATOM 926 C GLN A 58 -8.611 0.575 8.262 1.00 0.00 C ATOM 927 O GLN A 58 -7.770 0.243 9.096 1.00 0.00 O ATOM 928 CB GLN A 58 -10.991 -0.013 8.794 1.00 0.00 C ATOM 929 CG GLN A 58 -10.609 -1.101 9.783 1.00 0.00 C ATOM 930 CD GLN A 58 -11.614 -2.231 9.813 1.00 0.00 C ATOM 931 OE1 GLN A 58 -12.806 -2.027 9.578 1.00 0.00 O ATOM 932 NE2 GLN A 58 -11.141 -3.432 10.093 1.00 0.00 N ATOM 0 H GLN A 58 -11.285 1.850 7.238 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.854 1.587 9.674 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.957 0.403 9.082 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -11.118 -0.461 7.808 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -9.628 -1.498 9.522 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.523 -0.668 10.780 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -10.146 -3.557 10.282 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -11.770 -4.234 10.121 1.00 0.00 H new ATOM 941 N GLN A 59 -8.393 0.503 6.955 1.00 0.00 N ATOM 942 CA GLN A 59 -7.145 -0.029 6.419 1.00 0.00 C ATOM 943 C GLN A 59 -6.012 0.976 6.596 1.00 0.00 C ATOM 944 O GLN A 59 -4.893 0.610 6.955 1.00 0.00 O ATOM 945 CB GLN A 59 -7.301 -0.393 4.940 1.00 0.00 C ATOM 946 CG GLN A 59 -8.342 -1.472 4.682 1.00 0.00 C ATOM 947 CD GLN A 59 -8.072 -2.742 5.465 1.00 0.00 C ATOM 948 OE1 GLN A 59 -6.925 -3.060 5.780 1.00 0.00 O ATOM 949 NE2 GLN A 59 -9.123 -3.485 5.775 1.00 0.00 N ATOM 0 H GLN A 59 -9.062 0.805 6.247 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.898 -0.934 6.974 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.573 0.503 4.381 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.339 -0.729 4.554 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.328 -1.090 4.945 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.363 -1.704 3.617 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.058 -3.188 5.496 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -8.998 -4.355 6.293 1.00 0.00 H new ATOM 958 N TYR A 60 -6.317 2.247 6.354 1.00 0.00 N ATOM 959 CA TYR A 60 -5.349 3.322 6.560 1.00 0.00 C ATOM 960 C TYR A 60 -5.050 3.486 8.051 1.00 0.00 C ATOM 961 O TYR A 60 -4.013 4.019 8.444 1.00 0.00 O ATOM 962 CB TYR A 60 -5.882 4.636 5.971 1.00 0.00 C ATOM 963 CG TYR A 60 -5.024 5.842 6.290 1.00 0.00 C ATOM 964 CD1 TYR A 60 -3.826 6.066 5.624 1.00 0.00 C ATOM 965 CD2 TYR A 60 -5.409 6.745 7.273 1.00 0.00 C ATOM 966 CE1 TYR A 60 -3.037 7.160 5.927 1.00 0.00 C ATOM 967 CE2 TYR A 60 -4.625 7.839 7.583 1.00 0.00 C ATOM 968 CZ TYR A 60 -3.440 8.042 6.909 1.00 0.00 C ATOM 969 OH TYR A 60 -2.655 9.132 7.218 1.00 0.00 O ATOM 0 H TYR A 60 -7.227 2.559 6.015 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.422 3.063 6.048 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.959 4.533 4.889 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.890 4.809 6.347 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.506 5.375 4.858 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.337 6.589 7.804 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.110 7.324 5.398 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.939 8.532 8.350 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.083 9.652 7.930 1.00 0.00 H new ATOM 979 N HIS A 61 -5.969 3.011 8.877 1.00 0.00 N ATOM 980 CA HIS A 61 -5.815 3.092 10.322 1.00 0.00 C ATOM 981 C HIS A 61 -4.855 2.011 10.820 1.00 0.00 C ATOM 982 O HIS A 61 -4.495 1.975 11.995 1.00 0.00 O ATOM 983 CB HIS A 61 -7.182 2.943 10.994 1.00 0.00 C ATOM 984 CG HIS A 61 -7.244 3.517 12.373 1.00 0.00 C ATOM 985 ND1 HIS A 61 -7.289 2.747 13.511 1.00 0.00 N ATOM 986 CD2 HIS A 61 -7.292 4.802 12.790 1.00 0.00 C ATOM 987 CE1 HIS A 61 -7.360 3.530 14.569 1.00 0.00 C ATOM 988 NE2 HIS A 61 -7.364 4.784 14.159 1.00 0.00 N ATOM 0 H HIS A 61 -6.833 2.564 8.570 1.00 0.00 H new ATOM 0 HA HIS A 61 -5.395 4.064 10.580 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.936 3.429 10.374 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -7.440 1.885 11.039 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -7.277 5.680 12.161 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.407 3.201 15.597 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.413 5.605 14.762 1.00 0.00 H new ATOM 997 N ALA A 62 -4.443 1.130 9.914 1.00 0.00 N ATOM 998 CA ALA A 62 -3.511 0.066 10.248 1.00 0.00 C ATOM 999 C ALA A 62 -2.094 0.430 9.813 1.00 0.00 C ATOM 1000 O ALA A 62 -1.200 0.574 10.647 1.00 0.00 O ATOM 1001 CB ALA A 62 -3.946 -1.246 9.607 1.00 0.00 C ATOM 0 H ALA A 62 -4.743 1.135 8.939 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.513 -0.061 11.331 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.236 -2.031 9.868 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.937 -1.517 9.970 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.976 -1.129 8.524 1.00 0.00 H new ATOM 1007 N LEU A 63 -1.899 0.600 8.509 1.00 0.00 N ATOM 1008 CA LEU A 63 -0.582 0.932 7.973 1.00 0.00 C ATOM 1009 C LEU A 63 -0.379 2.444 7.957 1.00 0.00 C ATOM 1010 O LEU A 63 -1.338 3.206 7.857 1.00 0.00 O ATOM 1011 CB LEU A 63 -0.399 0.323 6.570 1.00 0.00 C ATOM 1012 CG LEU A 63 -1.476 0.667 5.532 1.00 0.00 C ATOM 1013 CD1 LEU A 63 -1.167 1.983 4.832 1.00 0.00 C ATOM 1014 CD2 LEU A 63 -1.607 -0.458 4.517 1.00 0.00 C ATOM 0 H LEU A 63 -2.633 0.514 7.806 1.00 0.00 H new ATOM 0 HA LEU A 63 0.180 0.500 8.622 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.567 0.646 6.181 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.356 -0.761 6.671 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.425 0.782 6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.948 2.199 4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.126 2.786 5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.206 1.908 4.323 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.374 -0.201 3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.654 -0.601 4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.887 -1.379 5.029 1.00 0.00 H new ATOM 1026 N THR A 64 0.868 2.874 8.069 1.00 0.00 N ATOM 1027 CA THR A 64 1.175 4.292 8.159 1.00 0.00 C ATOM 1028 C THR A 64 2.139 4.712 7.047 1.00 0.00 C ATOM 1029 O THR A 64 2.953 3.913 6.585 1.00 0.00 O ATOM 1030 CB THR A 64 1.791 4.622 9.536 1.00 0.00 C ATOM 1031 OG1 THR A 64 1.008 4.017 10.576 1.00 0.00 O ATOM 1032 CG2 THR A 64 1.854 6.125 9.766 1.00 0.00 C ATOM 0 H THR A 64 1.683 2.262 8.100 1.00 0.00 H new ATOM 0 HA THR A 64 0.244 4.847 8.041 1.00 0.00 H new ATOM 0 HB THR A 64 2.806 4.226 9.554 1.00 0.00 H new ATOM 0 HG1 THR A 64 1.403 4.227 11.448 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.292 6.325 10.744 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.467 6.586 8.992 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.847 6.541 9.727 1.00 0.00 H new ATOM 1040 N VAL A 65 2.028 5.958 6.607 1.00 0.00 N ATOM 1041 CA VAL A 65 2.929 6.497 5.597 1.00 0.00 C ATOM 1042 C VAL A 65 4.358 6.546 6.129 1.00 0.00 C ATOM 1043 O VAL A 65 4.609 7.041 7.229 1.00 0.00 O ATOM 1044 CB VAL A 65 2.481 7.906 5.146 1.00 0.00 C ATOM 1045 CG1 VAL A 65 3.510 8.542 4.222 1.00 0.00 C ATOM 1046 CG2 VAL A 65 1.128 7.832 4.457 1.00 0.00 C ATOM 0 H VAL A 65 1.321 6.616 6.935 1.00 0.00 H new ATOM 0 HA VAL A 65 2.896 5.835 4.732 1.00 0.00 H new ATOM 0 HB VAL A 65 2.393 8.532 6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.167 9.532 3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.462 8.631 4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.639 7.919 3.337 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.824 8.831 4.144 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.200 7.184 3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.389 7.428 5.149 1.00 0.00 H new ATOM 1056 N GLY A 66 5.288 6.018 5.344 1.00 0.00 N ATOM 1057 CA GLY A 66 6.672 5.935 5.769 1.00 0.00 C ATOM 1058 C GLY A 66 7.023 4.555 6.283 1.00 0.00 C ATOM 1059 O GLY A 66 8.183 4.267 6.594 1.00 0.00 O ATOM 0 H GLY A 66 5.106 5.643 4.413 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.324 6.188 4.933 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.856 6.671 6.551 1.00 0.00 H new ATOM 1063 N ASP A 67 6.021 3.691 6.373 1.00 0.00 N ATOM 1064 CA ASP A 67 6.240 2.336 6.850 1.00 0.00 C ATOM 1065 C ASP A 67 6.955 1.522 5.784 1.00 0.00 C ATOM 1066 O ASP A 67 6.341 1.061 4.825 1.00 0.00 O ATOM 1067 CB ASP A 67 4.919 1.663 7.223 1.00 0.00 C ATOM 1068 CG ASP A 67 5.108 0.505 8.186 1.00 0.00 C ATOM 1069 OD1 ASP A 67 5.863 -0.434 7.866 1.00 0.00 O ATOM 1070 OD2 ASP A 67 4.510 0.543 9.283 1.00 0.00 O ATOM 0 H ASP A 67 5.055 3.904 6.123 1.00 0.00 H new ATOM 0 HA ASP A 67 6.860 2.385 7.745 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.254 2.400 7.672 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.430 1.303 6.318 1.00 0.00 H new ATOM 1075 N GLN A 68 8.267 1.420 5.919 1.00 0.00 N ATOM 1076 CA GLN A 68 9.050 0.538 5.071 1.00 0.00 C ATOM 1077 C GLN A 68 8.828 -0.909 5.493 1.00 0.00 C ATOM 1078 O GLN A 68 9.293 -1.332 6.555 1.00 0.00 O ATOM 1079 CB GLN A 68 10.541 0.870 5.158 1.00 0.00 C ATOM 1080 CG GLN A 68 10.901 2.268 4.684 1.00 0.00 C ATOM 1081 CD GLN A 68 12.382 2.555 4.837 1.00 0.00 C ATOM 1082 OE1 GLN A 68 13.036 2.038 5.743 1.00 0.00 O ATOM 1083 NE2 GLN A 68 12.927 3.369 3.949 1.00 0.00 N ATOM 0 H GLN A 68 8.812 1.938 6.608 1.00 0.00 H new ATOM 0 HA GLN A 68 8.725 0.679 4.040 1.00 0.00 H new ATOM 0 HB2 GLN A 68 10.867 0.755 6.192 1.00 0.00 H new ATOM 0 HB3 GLN A 68 11.098 0.144 4.566 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.616 2.381 3.638 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.329 3.002 5.251 1.00 0.00 H new ATOM 0 HE21 GLN A 68 12.352 3.778 3.212 1.00 0.00 H new ATOM 0 HE22 GLN A 68 13.922 3.588 4.001 1.00 0.00 H new ATOM 1092 N GLY A 69 8.141 -1.669 4.658 1.00 0.00 N ATOM 1093 CA GLY A 69 7.830 -3.043 4.993 1.00 0.00 C ATOM 1094 C GLY A 69 7.457 -3.848 3.770 1.00 0.00 C ATOM 1095 O GLY A 69 7.384 -3.308 2.669 1.00 0.00 O ATOM 0 H GLY A 69 7.791 -1.359 3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.690 -3.502 5.482 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.007 -3.066 5.708 1.00 0.00 H new ATOM 1099 N THR A 70 7.221 -5.135 3.959 1.00 0.00 N ATOM 1100 CA THR A 70 6.971 -6.034 2.845 1.00 0.00 C ATOM 1101 C THR A 70 5.578 -5.836 2.261 1.00 0.00 C ATOM 1102 O THR A 70 4.617 -5.584 2.986 1.00 0.00 O ATOM 1103 CB THR A 70 7.141 -7.495 3.280 1.00 0.00 C ATOM 1104 OG1 THR A 70 6.735 -7.637 4.646 1.00 0.00 O ATOM 1105 CG2 THR A 70 8.584 -7.950 3.110 1.00 0.00 C ATOM 0 H THR A 70 7.197 -5.582 4.876 1.00 0.00 H new ATOM 0 HA THR A 70 7.703 -5.798 2.072 1.00 0.00 H new ATOM 0 HB THR A 70 6.514 -8.123 2.647 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.070 -6.951 4.863 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.677 -8.989 3.425 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.872 -7.861 2.063 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.237 -7.326 3.720 1.00 0.00 H new ATOM 1113 N LEU A 71 5.480 -5.951 0.951 1.00 0.00 N ATOM 1114 CA LEU A 71 4.208 -5.822 0.267 1.00 0.00 C ATOM 1115 C LEU A 71 3.861 -7.130 -0.430 1.00 0.00 C ATOM 1116 O LEU A 71 4.617 -7.618 -1.265 1.00 0.00 O ATOM 1117 CB LEU A 71 4.268 -4.677 -0.744 1.00 0.00 C ATOM 1118 CG LEU A 71 2.951 -4.356 -1.454 1.00 0.00 C ATOM 1119 CD1 LEU A 71 1.891 -3.935 -0.449 1.00 0.00 C ATOM 1120 CD2 LEU A 71 3.165 -3.268 -2.494 1.00 0.00 C ATOM 0 H LEU A 71 6.272 -6.135 0.335 1.00 0.00 H new ATOM 0 HA LEU A 71 3.431 -5.597 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.612 -3.779 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.017 -4.920 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 71 2.602 -5.256 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.962 -3.711 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.721 -4.744 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.229 -3.048 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.220 -3.049 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.535 -2.366 -2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.893 -3.607 -3.231 1.00 0.00 H new ATOM 1132 N SER A 72 2.724 -7.692 -0.058 1.00 0.00 N ATOM 1133 CA SER A 72 2.265 -8.961 -0.597 1.00 0.00 C ATOM 1134 C SER A 72 1.193 -8.712 -1.651 1.00 0.00 C ATOM 1135 O SER A 72 0.135 -8.154 -1.345 1.00 0.00 O ATOM 1136 CB SER A 72 1.701 -9.809 0.545 1.00 0.00 C ATOM 1137 OG SER A 72 1.374 -11.113 0.112 1.00 0.00 O ATOM 0 H SER A 72 2.091 -7.280 0.628 1.00 0.00 H new ATOM 0 HA SER A 72 3.095 -9.491 -1.064 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.431 -9.865 1.352 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.812 -9.327 0.952 1.00 0.00 H new ATOM 0 HG SER A 72 0.629 -11.458 0.647 1.00 0.00 H new ATOM 1143 N TYR A 73 1.466 -9.090 -2.894 1.00 0.00 N ATOM 1144 CA TYR A 73 0.481 -8.922 -3.952 1.00 0.00 C ATOM 1145 C TYR A 73 0.692 -9.915 -5.088 1.00 0.00 C ATOM 1146 O TYR A 73 1.822 -10.225 -5.463 1.00 0.00 O ATOM 1147 CB TYR A 73 0.508 -7.484 -4.496 1.00 0.00 C ATOM 1148 CG TYR A 73 1.848 -7.047 -5.057 1.00 0.00 C ATOM 1149 CD1 TYR A 73 2.860 -6.600 -4.219 1.00 0.00 C ATOM 1150 CD2 TYR A 73 2.095 -7.073 -6.424 1.00 0.00 C ATOM 1151 CE1 TYR A 73 4.081 -6.197 -4.723 1.00 0.00 C ATOM 1152 CE2 TYR A 73 3.314 -6.671 -6.937 1.00 0.00 C ATOM 1153 CZ TYR A 73 4.302 -6.232 -6.082 1.00 0.00 C ATOM 1154 OH TYR A 73 5.520 -5.827 -6.586 1.00 0.00 O ATOM 0 H TYR A 73 2.348 -9.509 -3.190 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.498 -9.119 -3.514 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.246 -7.391 -5.277 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.224 -6.801 -3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.690 -6.567 -3.153 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.322 -7.413 -7.097 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.858 -5.856 -4.055 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.491 -6.701 -8.002 1.00 0.00 H new ATOM 0 HH TYR A 73 5.515 -5.914 -7.562 1.00 0.00 H new ATOM 1164 N LYS A 74 -0.411 -10.440 -5.602 1.00 0.00 N ATOM 1165 CA LYS A 74 -0.391 -11.186 -6.848 1.00 0.00 C ATOM 1166 C LYS A 74 -0.975 -10.310 -7.943 1.00 0.00 C ATOM 1167 O LYS A 74 -2.159 -9.967 -7.905 1.00 0.00 O ATOM 1168 CB LYS A 74 -1.188 -12.492 -6.748 1.00 0.00 C ATOM 1169 CG LYS A 74 -0.570 -13.537 -5.834 1.00 0.00 C ATOM 1170 CD LYS A 74 -1.136 -14.918 -6.125 1.00 0.00 C ATOM 1171 CE LYS A 74 -0.533 -15.982 -5.220 1.00 0.00 C ATOM 1172 NZ LYS A 74 -1.060 -15.905 -3.834 1.00 0.00 N ATOM 0 H LYS A 74 -1.333 -10.362 -5.172 1.00 0.00 H new ATOM 0 HA LYS A 74 0.641 -11.454 -7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.193 -12.264 -6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.293 -12.917 -7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.512 -13.548 -5.967 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.760 -13.274 -4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.218 -14.901 -5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.944 -15.177 -7.166 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.743 -16.969 -5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.551 -15.869 -5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.278 -16.024 -3.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.509 -14.979 -3.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.762 -16.658 -3.687 1.00 0.00 H new ATOM 1186 N GLY A 75 -0.138 -9.918 -8.891 1.00 0.00 N ATOM 1187 CA GLY A 75 -0.587 -9.031 -9.943 1.00 0.00 C ATOM 1188 C GLY A 75 -0.988 -7.672 -9.402 1.00 0.00 C ATOM 1189 O GLY A 75 -0.164 -6.956 -8.835 1.00 0.00 O ATOM 0 H GLY A 75 0.841 -10.197 -8.951 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.208 -8.909 -10.679 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.435 -9.481 -10.460 1.00 0.00 H new ATOM 1193 N THR A 76 -2.256 -7.326 -9.553 1.00 0.00 N ATOM 1194 CA THR A 76 -2.754 -6.040 -9.088 1.00 0.00 C ATOM 1195 C THR A 76 -3.832 -6.242 -8.019 1.00 0.00 C ATOM 1196 O THR A 76 -4.518 -5.304 -7.616 1.00 0.00 O ATOM 1197 CB THR A 76 -3.330 -5.229 -10.268 1.00 0.00 C ATOM 1198 OG1 THR A 76 -2.534 -5.450 -11.444 1.00 0.00 O ATOM 1199 CG2 THR A 76 -3.350 -3.738 -9.951 1.00 0.00 C ATOM 0 H THR A 76 -2.960 -7.917 -9.994 1.00 0.00 H new ATOM 0 HA THR A 76 -1.923 -5.486 -8.651 1.00 0.00 H new ATOM 0 HB THR A 76 -4.353 -5.563 -10.441 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.904 -4.935 -12.191 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.761 -3.191 -10.800 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.969 -3.561 -9.072 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.334 -3.394 -9.755 1.00 0.00 H new ATOM 1207 N ARG A 77 -3.951 -7.481 -7.542 1.00 0.00 N ATOM 1208 CA ARG A 77 -4.996 -7.843 -6.584 1.00 0.00 C ATOM 1209 C ARG A 77 -4.791 -7.167 -5.232 1.00 0.00 C ATOM 1210 O ARG A 77 -5.763 -6.822 -4.558 1.00 0.00 O ATOM 1211 CB ARG A 77 -5.034 -9.358 -6.389 1.00 0.00 C ATOM 1212 CG ARG A 77 -5.440 -10.122 -7.633 1.00 0.00 C ATOM 1213 CD ARG A 77 -5.373 -11.621 -7.409 1.00 0.00 C ATOM 1214 NE ARG A 77 -5.843 -12.368 -8.572 1.00 0.00 N ATOM 1215 CZ ARG A 77 -5.837 -13.697 -8.655 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -5.357 -14.427 -7.654 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -6.312 -14.301 -9.739 1.00 0.00 N ATOM 0 H ARG A 77 -3.336 -8.252 -7.804 1.00 0.00 H new ATOM 0 HA ARG A 77 -5.943 -7.497 -6.997 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.049 -9.699 -6.069 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.730 -9.595 -5.585 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.453 -9.841 -7.920 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.786 -9.847 -8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.346 -11.909 -7.184 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.976 -11.885 -6.540 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.197 -11.840 -9.369 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.992 -13.970 -6.819 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.354 -15.445 -7.721 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.683 -13.746 -10.511 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.306 -15.319 -9.799 1.00 0.00 H new ATOM 1231 N PHE A 78 -3.524 -6.984 -4.853 1.00 0.00 N ATOM 1232 CA PHE A 78 -3.158 -6.448 -3.540 1.00 0.00 C ATOM 1233 C PHE A 78 -3.610 -7.393 -2.428 1.00 0.00 C ATOM 1234 O PHE A 78 -4.783 -7.437 -2.060 1.00 0.00 O ATOM 1235 CB PHE A 78 -3.747 -5.045 -3.330 1.00 0.00 C ATOM 1236 CG PHE A 78 -3.305 -4.381 -2.054 1.00 0.00 C ATOM 1237 CD1 PHE A 78 -2.031 -3.847 -1.941 1.00 0.00 C ATOM 1238 CD2 PHE A 78 -4.164 -4.288 -0.968 1.00 0.00 C ATOM 1239 CE1 PHE A 78 -1.622 -3.232 -0.772 1.00 0.00 C ATOM 1240 CE2 PHE A 78 -3.761 -3.674 0.203 1.00 0.00 C ATOM 1241 CZ PHE A 78 -2.487 -3.145 0.301 1.00 0.00 C ATOM 0 H PHE A 78 -2.724 -7.203 -5.447 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.072 -6.365 -3.503 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.465 -4.414 -4.173 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.835 -5.114 -3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.349 -3.912 -2.776 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.160 -4.700 -1.039 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.626 -2.820 -0.698 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.440 -3.607 1.040 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.169 -2.665 1.215 1.00 0.00 H new ATOM 1251 N VAL A 79 -2.673 -8.168 -1.909 1.00 0.00 N ATOM 1252 CA VAL A 79 -2.974 -9.127 -0.858 1.00 0.00 C ATOM 1253 C VAL A 79 -2.895 -8.446 0.503 1.00 0.00 C ATOM 1254 O VAL A 79 -3.616 -8.797 1.438 1.00 0.00 O ATOM 1255 CB VAL A 79 -2.007 -10.329 -0.911 1.00 0.00 C ATOM 1256 CG1 VAL A 79 -2.377 -11.385 0.118 1.00 0.00 C ATOM 1257 CG2 VAL A 79 -1.988 -10.924 -2.308 1.00 0.00 C ATOM 0 H VAL A 79 -1.695 -8.152 -2.199 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.986 -9.501 -1.013 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.007 -9.970 -0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.676 -12.217 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.334 -10.951 1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.387 -11.745 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.302 -11.771 -2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.990 -11.260 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.658 -10.168 -3.021 1.00 0.00 H new ATOM 1267 N GLY A 80 -2.012 -7.465 0.604 1.00 0.00 N ATOM 1268 CA GLY A 80 -1.920 -6.680 1.810 1.00 0.00 C ATOM 1269 C GLY A 80 -0.508 -6.223 2.091 1.00 0.00 C ATOM 1270 O GLY A 80 0.458 -6.849 1.648 1.00 0.00 O ATOM 0 H GLY A 80 -1.357 -7.200 -0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.571 -5.810 1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.283 -7.269 2.652 1.00 0.00 H new ATOM 1274 N PHE A 81 -0.388 -5.119 2.811 1.00 0.00 N ATOM 1275 CA PHE A 81 0.908 -4.622 3.232 1.00 0.00 C ATOM 1276 C PHE A 81 1.291 -5.277 4.550 1.00 0.00 C ATOM 1277 O PHE A 81 0.505 -5.284 5.496 1.00 0.00 O ATOM 1278 CB PHE A 81 0.877 -3.097 3.376 1.00 0.00 C ATOM 1279 CG PHE A 81 2.204 -2.503 3.756 1.00 0.00 C ATOM 1280 CD1 PHE A 81 3.202 -2.351 2.809 1.00 0.00 C ATOM 1281 CD2 PHE A 81 2.451 -2.102 5.058 1.00 0.00 C ATOM 1282 CE1 PHE A 81 4.422 -1.804 3.154 1.00 0.00 C ATOM 1283 CE2 PHE A 81 3.669 -1.555 5.408 1.00 0.00 C ATOM 1284 CZ PHE A 81 4.655 -1.409 4.454 1.00 0.00 C ATOM 0 H PHE A 81 -1.177 -4.549 3.116 1.00 0.00 H new ATOM 0 HA PHE A 81 1.653 -4.872 2.477 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.548 -2.658 2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.138 -2.826 4.130 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.025 -2.663 1.790 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.682 -2.218 5.808 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.193 -1.686 2.406 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.850 -1.242 6.426 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.610 -0.985 4.726 1.00 0.00 H new ATOM 1294 N VAL A 82 2.487 -5.835 4.605 1.00 0.00 N ATOM 1295 CA VAL A 82 2.920 -6.574 5.774 1.00 0.00 C ATOM 1296 C VAL A 82 4.042 -5.842 6.496 1.00 0.00 C ATOM 1297 O VAL A 82 5.185 -5.803 6.020 1.00 0.00 O ATOM 1298 CB VAL A 82 3.394 -7.997 5.401 1.00 0.00 C ATOM 1299 CG1 VAL A 82 3.762 -8.790 6.648 1.00 0.00 C ATOM 1300 CG2 VAL A 82 2.327 -8.728 4.599 1.00 0.00 C ATOM 0 H VAL A 82 3.175 -5.790 3.853 1.00 0.00 H new ATOM 0 HA VAL A 82 2.059 -6.655 6.437 1.00 0.00 H new ATOM 0 HB VAL A 82 4.285 -7.904 4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.093 -9.788 6.360 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.566 -8.281 7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.891 -8.870 7.299 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.682 -9.727 4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.415 -8.805 5.192 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.118 -8.176 3.683 1.00 0.00 H new ATOM 1310 N SER A 83 3.710 -5.257 7.636 1.00 0.00 N ATOM 1311 CA SER A 83 4.698 -4.638 8.502 1.00 0.00 C ATOM 1312 C SER A 83 5.447 -5.720 9.280 1.00 0.00 C ATOM 1313 O SER A 83 5.376 -5.795 10.511 1.00 0.00 O ATOM 1314 CB SER A 83 4.011 -3.653 9.449 1.00 0.00 C ATOM 1315 OG SER A 83 2.808 -4.205 9.964 1.00 0.00 O ATOM 0 H SER A 83 2.753 -5.198 7.985 1.00 0.00 H new ATOM 0 HA SER A 83 5.420 -4.085 7.901 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.682 -3.403 10.270 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.794 -2.725 8.921 1.00 0.00 H new ATOM 0 HG SER A 83 2.385 -3.560 10.569 1.00 0.00 H new ATOM 1321 N ARG A 84 6.138 -6.569 8.531 1.00 0.00 N ATOM 1322 CA ARG A 84 6.848 -7.718 9.074 1.00 0.00 C ATOM 1323 C ARG A 84 7.878 -7.293 10.113 1.00 0.00 C ATOM 1324 O ARG A 84 8.915 -6.722 9.783 1.00 0.00 O ATOM 1325 CB ARG A 84 7.517 -8.482 7.928 1.00 0.00 C ATOM 1326 CG ARG A 84 8.341 -9.681 8.365 1.00 0.00 C ATOM 1327 CD ARG A 84 8.865 -10.448 7.162 1.00 0.00 C ATOM 1328 NE ARG A 84 9.792 -11.510 7.543 1.00 0.00 N ATOM 1329 CZ ARG A 84 9.523 -12.811 7.431 1.00 0.00 C ATOM 1330 NH1 ARG A 84 8.334 -13.219 7.007 1.00 0.00 N ATOM 1331 NH2 ARG A 84 10.444 -13.710 7.747 1.00 0.00 N ATOM 0 H ARG A 84 6.222 -6.478 7.519 1.00 0.00 H new ATOM 0 HA ARG A 84 6.133 -8.369 9.577 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.746 -8.820 7.235 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.161 -7.796 7.378 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.176 -9.348 8.981 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.732 -10.340 8.984 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.026 -10.879 6.616 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.366 -9.757 6.484 1.00 0.00 H new ATOM 0 HE ARG A 84 10.701 -11.240 7.918 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.617 -12.535 6.764 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.137 -14.216 6.924 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.361 -13.407 8.077 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.236 -14.705 7.661 1.00 0.00 H new ATOM 1345 N THR A 85 7.573 -7.566 11.369 1.00 0.00 N ATOM 1346 CA THR A 85 8.456 -7.217 12.463 1.00 0.00 C ATOM 1347 C THR A 85 8.975 -8.480 13.149 1.00 0.00 C ATOM 1348 O THR A 85 8.236 -9.151 13.872 1.00 0.00 O ATOM 1349 CB THR A 85 7.726 -6.332 13.491 1.00 0.00 C ATOM 1350 OG1 THR A 85 7.058 -5.254 12.815 1.00 0.00 O ATOM 1351 CG2 THR A 85 8.698 -5.766 14.516 1.00 0.00 C ATOM 0 H THR A 85 6.713 -8.032 11.656 1.00 0.00 H new ATOM 0 HA THR A 85 9.298 -6.659 12.054 1.00 0.00 H new ATOM 0 HB THR A 85 6.996 -6.949 14.014 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.417 -5.620 12.170 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.155 -5.145 15.229 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.186 -6.584 15.045 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.451 -5.162 14.009 1.00 0.00 H new ATOM 1359 N PRO A 86 10.244 -8.841 12.902 1.00 0.00 N ATOM 1360 CA PRO A 86 10.870 -10.001 13.539 1.00 0.00 C ATOM 1361 C PRO A 86 11.191 -9.735 15.005 1.00 0.00 C ATOM 1362 O PRO A 86 11.201 -8.581 15.441 1.00 0.00 O ATOM 1363 CB PRO A 86 12.153 -10.199 12.731 1.00 0.00 C ATOM 1364 CG PRO A 86 12.479 -8.849 12.194 1.00 0.00 C ATOM 1365 CD PRO A 86 11.162 -8.152 11.974 1.00 0.00 C ATOM 0 HA PRO A 86 10.220 -10.876 13.541 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.959 -10.581 13.357 1.00 0.00 H new ATOM 0 HB3 PRO A 86 12.006 -10.919 11.926 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.101 -8.292 12.894 1.00 0.00 H new ATOM 0 HG3 PRO A 86 13.039 -8.926 11.262 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.230 -7.087 12.195 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.829 -8.242 10.940 1.00 0.00 H new ATOM 1373 N ASP A 87 11.454 -10.804 15.754 1.00 0.00 N ATOM 1374 CA ASP A 87 11.774 -10.706 17.181 1.00 0.00 C ATOM 1375 C ASP A 87 12.882 -9.689 17.423 1.00 0.00 C ATOM 1376 O ASP A 87 13.894 -9.668 16.712 1.00 0.00 O ATOM 1377 CB ASP A 87 12.185 -12.072 17.739 1.00 0.00 C ATOM 1378 CG ASP A 87 11.012 -13.024 17.893 1.00 0.00 C ATOM 1379 OD1 ASP A 87 10.514 -13.544 16.870 1.00 0.00 O ATOM 1380 OD2 ASP A 87 10.578 -13.259 19.038 1.00 0.00 O ATOM 0 H ASP A 87 11.452 -11.758 15.394 1.00 0.00 H new ATOM 0 HA ASP A 87 10.877 -10.370 17.701 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.926 -12.521 17.078 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.664 -11.934 18.708 1.00 0.00 H new ATOM 1385 N ASN A 88 12.694 -8.843 18.426 1.00 0.00 N ATOM 1386 CA ASN A 88 13.617 -7.739 18.666 1.00 0.00 C ATOM 1387 C ASN A 88 14.789 -8.169 19.541 1.00 0.00 C ATOM 1388 O ASN A 88 14.913 -7.758 20.694 1.00 0.00 O ATOM 1389 CB ASN A 88 12.902 -6.547 19.301 1.00 0.00 C ATOM 1390 CG ASN A 88 13.800 -5.326 19.386 1.00 0.00 C ATOM 1391 OD1 ASN A 88 14.636 -5.094 18.511 1.00 0.00 O ATOM 1392 ND2 ASN A 88 13.648 -4.552 20.447 1.00 0.00 N ATOM 0 H ASN A 88 11.916 -8.898 19.084 1.00 0.00 H new ATOM 0 HA ASN A 88 14.008 -7.434 17.695 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.014 -6.304 18.718 1.00 0.00 H new ATOM 0 HB3 ASN A 88 12.563 -6.818 20.301 1.00 0.00 H new ATOM 0 HD21 ASN A 88 14.235 -3.726 20.564 1.00 0.00 H new ATOM 0 HD22 ASN A 88 12.943 -4.780 21.148 1.00 0.00 H new ATOM 1399 N GLU A 89 15.610 -9.046 18.995 1.00 0.00 N ATOM 1400 CA GLU A 89 16.889 -9.399 19.593 1.00 0.00 C ATOM 1401 C GLU A 89 17.738 -10.074 18.526 1.00 0.00 C ATOM 1402 O GLU A 89 18.648 -10.852 18.803 1.00 0.00 O ATOM 1403 CB GLU A 89 16.696 -10.308 20.811 1.00 0.00 C ATOM 1404 CG GLU A 89 17.923 -10.372 21.705 1.00 0.00 C ATOM 1405 CD GLU A 89 17.652 -11.063 23.020 1.00 0.00 C ATOM 1406 OE1 GLU A 89 17.125 -10.402 23.939 1.00 0.00 O ATOM 1407 OE2 GLU A 89 17.971 -12.263 23.142 1.00 0.00 O ATOM 0 H GLU A 89 15.411 -9.536 18.123 1.00 0.00 H new ATOM 0 HA GLU A 89 17.394 -8.502 19.951 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.847 -9.950 21.394 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.448 -11.314 20.471 1.00 0.00 H new ATOM 0 HG2 GLU A 89 18.722 -10.897 21.181 1.00 0.00 H new ATOM 0 HG3 GLU A 89 18.280 -9.360 21.898 1.00 0.00 H new ATOM 1414 N LEU A 90 17.422 -9.732 17.290 1.00 0.00 N ATOM 1415 CA LEU A 90 18.076 -10.295 16.127 1.00 0.00 C ATOM 1416 C LEU A 90 18.573 -9.157 15.250 1.00 0.00 C ATOM 1417 O LEU A 90 17.843 -8.192 15.022 1.00 0.00 O ATOM 1418 CB LEU A 90 17.075 -11.166 15.360 1.00 0.00 C ATOM 1419 CG LEU A 90 17.612 -11.871 14.114 1.00 0.00 C ATOM 1420 CD1 LEU A 90 18.649 -12.917 14.493 1.00 0.00 C ATOM 1421 CD2 LEU A 90 16.468 -12.506 13.340 1.00 0.00 C ATOM 0 H LEU A 90 16.698 -9.050 17.065 1.00 0.00 H new ATOM 0 HA LEU A 90 18.922 -10.914 16.425 1.00 0.00 H new ATOM 0 HB2 LEU A 90 16.686 -11.923 16.041 1.00 0.00 H new ATOM 0 HB3 LEU A 90 16.233 -10.541 15.064 1.00 0.00 H new ATOM 0 HG LEU A 90 18.096 -11.131 13.477 1.00 0.00 H new ATOM 0 HD11 LEU A 90 19.018 -13.407 13.592 1.00 0.00 H new ATOM 0 HD12 LEU A 90 19.479 -12.436 15.010 1.00 0.00 H new ATOM 0 HD13 LEU A 90 18.194 -13.659 15.149 1.00 0.00 H new ATOM 0 HD21 LEU A 90 16.861 -13.006 12.454 1.00 0.00 H new ATOM 0 HD22 LEU A 90 15.961 -13.235 13.973 1.00 0.00 H new ATOM 0 HD23 LEU A 90 15.761 -11.734 13.037 1.00 0.00 H new ATOM 1433 N GLU A 91 19.802 -9.252 14.765 1.00 0.00 N ATOM 1434 CA GLU A 91 20.376 -8.178 13.959 1.00 0.00 C ATOM 1435 C GLU A 91 19.641 -8.021 12.635 1.00 0.00 C ATOM 1436 O GLU A 91 19.693 -6.963 12.010 1.00 0.00 O ATOM 1437 CB GLU A 91 21.869 -8.407 13.733 1.00 0.00 C ATOM 1438 CG GLU A 91 22.692 -8.226 14.998 1.00 0.00 C ATOM 1439 CD GLU A 91 22.590 -6.821 15.568 1.00 0.00 C ATOM 1440 OE1 GLU A 91 21.485 -6.414 15.983 1.00 0.00 O ATOM 1441 OE2 GLU A 91 23.617 -6.115 15.606 1.00 0.00 O ATOM 0 H GLU A 91 20.418 -10.052 14.912 1.00 0.00 H new ATOM 0 HA GLU A 91 20.255 -7.247 14.513 1.00 0.00 H new ATOM 0 HB2 GLU A 91 22.023 -9.414 13.346 1.00 0.00 H new ATOM 0 HB3 GLU A 91 22.227 -7.715 12.971 1.00 0.00 H new ATOM 0 HG2 GLU A 91 22.360 -8.943 15.749 1.00 0.00 H new ATOM 0 HG3 GLU A 91 23.736 -8.451 14.782 1.00 0.00 H new ATOM 1448 N HIS A 92 18.927 -9.062 12.226 1.00 0.00 N ATOM 1449 CA HIS A 92 18.091 -8.989 11.033 1.00 0.00 C ATOM 1450 C HIS A 92 16.903 -8.051 11.261 1.00 0.00 C ATOM 1451 O HIS A 92 16.292 -7.573 10.312 1.00 0.00 O ATOM 1452 CB HIS A 92 17.602 -10.378 10.614 1.00 0.00 C ATOM 1453 CG HIS A 92 18.660 -11.217 9.959 1.00 0.00 C ATOM 1454 ND1 HIS A 92 18.902 -12.533 10.291 1.00 0.00 N ATOM 1455 CD2 HIS A 92 19.528 -10.918 8.965 1.00 0.00 C ATOM 1456 CE1 HIS A 92 19.873 -13.002 9.530 1.00 0.00 C ATOM 1457 NE2 HIS A 92 20.270 -12.044 8.716 1.00 0.00 N ATOM 0 H HIS A 92 18.909 -9.965 12.701 1.00 0.00 H new ATOM 0 HA HIS A 92 18.701 -8.587 10.224 1.00 0.00 H new ATOM 0 HB2 HIS A 92 17.227 -10.902 11.493 1.00 0.00 H new ATOM 0 HB3 HIS A 92 16.763 -10.266 9.928 1.00 0.00 H new ATOM 0 HD2 HIS A 92 19.620 -9.967 8.461 1.00 0.00 H new ATOM 0 HE1 HIS A 92 20.275 -14.004 9.568 1.00 0.00 H new ATOM 0 HE2 HIS A 92 21.008 -12.127 8.016 1.00 0.00 H new ATOM 1466 N HIS A 93 16.594 -7.780 12.529 1.00 0.00 N ATOM 1467 CA HIS A 93 15.544 -6.823 12.878 1.00 0.00 C ATOM 1468 C HIS A 93 16.059 -5.401 12.670 1.00 0.00 C ATOM 1469 O HIS A 93 15.291 -4.483 12.402 1.00 0.00 O ATOM 1470 CB HIS A 93 15.100 -7.031 14.342 1.00 0.00 C ATOM 1471 CG HIS A 93 14.071 -6.049 14.845 1.00 0.00 C ATOM 1472 ND1 HIS A 93 12.766 -6.393 15.131 1.00 0.00 N ATOM 1473 CD2 HIS A 93 14.177 -4.731 15.148 1.00 0.00 C ATOM 1474 CE1 HIS A 93 12.119 -5.330 15.574 1.00 0.00 C ATOM 1475 NE2 HIS A 93 12.953 -4.313 15.595 1.00 0.00 N ATOM 0 H HIS A 93 17.055 -8.209 13.331 1.00 0.00 H new ATOM 0 HA HIS A 93 14.680 -6.983 12.233 1.00 0.00 H new ATOM 0 HB2 HIS A 93 14.698 -8.039 14.443 1.00 0.00 H new ATOM 0 HB3 HIS A 93 15.979 -6.973 14.984 1.00 0.00 H new ATOM 0 HD1 HIS A 93 12.363 -7.323 15.018 1.00 0.00 H new ATOM 0 HD2 HIS A 93 15.065 -4.123 15.054 1.00 0.00 H new ATOM 0 HE1 HIS A 93 11.081 -5.301 15.869 1.00 0.00 H new ATOM 1484 N HIS A 94 17.371 -5.237 12.777 1.00 0.00 N ATOM 1485 CA HIS A 94 17.995 -3.924 12.667 1.00 0.00 C ATOM 1486 C HIS A 94 18.463 -3.669 11.238 1.00 0.00 C ATOM 1487 O HIS A 94 19.199 -2.722 10.975 1.00 0.00 O ATOM 1488 CB HIS A 94 19.184 -3.808 13.630 1.00 0.00 C ATOM 1489 CG HIS A 94 18.807 -3.900 15.078 1.00 0.00 C ATOM 1490 ND1 HIS A 94 19.417 -4.761 15.967 1.00 0.00 N ATOM 1491 CD2 HIS A 94 17.876 -3.224 15.794 1.00 0.00 C ATOM 1492 CE1 HIS A 94 18.877 -4.613 17.161 1.00 0.00 C ATOM 1493 NE2 HIS A 94 17.940 -3.688 17.085 1.00 0.00 N ATOM 0 H HIS A 94 18.027 -6.001 12.941 1.00 0.00 H new ATOM 0 HA HIS A 94 17.250 -3.174 12.934 1.00 0.00 H new ATOM 0 HB2 HIS A 94 19.902 -4.596 13.401 1.00 0.00 H new ATOM 0 HB3 HIS A 94 19.688 -2.857 13.456 1.00 0.00 H new ATOM 0 HD1 HIS A 94 20.169 -5.411 15.737 1.00 0.00 H new ATOM 0 HD2 HIS A 94 17.208 -2.462 15.419 1.00 0.00 H new ATOM 0 HE1 HIS A 94 19.155 -5.158 18.051 1.00 0.00 H new ATOM 1502 N HIS A 95 18.028 -4.522 10.319 1.00 0.00 N ATOM 1503 CA HIS A 95 18.427 -4.413 8.919 1.00 0.00 C ATOM 1504 C HIS A 95 17.208 -4.189 8.030 1.00 0.00 C ATOM 1505 O HIS A 95 16.070 -4.263 8.492 1.00 0.00 O ATOM 1506 CB HIS A 95 19.178 -5.673 8.465 1.00 0.00 C ATOM 1507 CG HIS A 95 20.601 -5.752 8.940 1.00 0.00 C ATOM 1508 ND1 HIS A 95 21.561 -6.524 8.320 1.00 0.00 N ATOM 1509 CD2 HIS A 95 21.226 -5.149 9.980 1.00 0.00 C ATOM 1510 CE1 HIS A 95 22.709 -6.393 8.959 1.00 0.00 C ATOM 1511 NE2 HIS A 95 22.530 -5.563 9.966 1.00 0.00 N ATOM 0 H HIS A 95 17.398 -5.299 10.517 1.00 0.00 H new ATOM 0 HA HIS A 95 19.095 -3.556 8.827 1.00 0.00 H new ATOM 0 HB2 HIS A 95 18.639 -6.551 8.822 1.00 0.00 H new ATOM 0 HB3 HIS A 95 19.168 -5.714 7.376 1.00 0.00 H new ATOM 0 HD2 HIS A 95 20.778 -4.468 10.688 1.00 0.00 H new ATOM 0 HE1 HIS A 95 23.636 -6.883 8.700 1.00 0.00 H new ATOM 0 HE2 HIS A 95 23.249 -5.275 10.630 1.00 0.00 H new ATOM 1520 N HIS A 96 17.456 -3.910 6.757 1.00 0.00 N ATOM 1521 CA HIS A 96 16.387 -3.699 5.783 1.00 0.00 C ATOM 1522 C HIS A 96 16.709 -4.469 4.509 1.00 0.00 C ATOM 1523 O HIS A 96 17.865 -4.830 4.282 1.00 0.00 O ATOM 1524 CB HIS A 96 16.220 -2.205 5.469 1.00 0.00 C ATOM 1525 CG HIS A 96 15.878 -1.366 6.665 1.00 0.00 C ATOM 1526 ND1 HIS A 96 16.766 -0.485 7.243 1.00 0.00 N ATOM 1527 CD2 HIS A 96 14.737 -1.272 7.390 1.00 0.00 C ATOM 1528 CE1 HIS A 96 16.187 0.113 8.267 1.00 0.00 C ATOM 1529 NE2 HIS A 96 14.957 -0.345 8.379 1.00 0.00 N ATOM 0 H HIS A 96 18.396 -3.824 6.370 1.00 0.00 H new ATOM 0 HA HIS A 96 15.449 -4.062 6.204 1.00 0.00 H new ATOM 0 HB2 HIS A 96 17.144 -1.831 5.028 1.00 0.00 H new ATOM 0 HB3 HIS A 96 15.438 -2.087 4.719 1.00 0.00 H new ATOM 0 HD2 HIS A 96 13.824 -1.824 7.221 1.00 0.00 H new ATOM 0 HE1 HIS A 96 16.645 0.854 8.906 1.00 0.00 H new ATOM 0 HE2 HIS A 96 14.279 -0.058 9.085 1.00 0.00 H new ATOM 1538 N HIS A 97 15.702 -4.726 3.682 1.00 0.00 N ATOM 1539 CA HIS A 97 15.910 -5.507 2.471 1.00 0.00 C ATOM 1540 C HIS A 97 15.061 -4.968 1.320 1.00 0.00 C ATOM 1541 O HIS A 97 13.995 -5.550 1.021 1.00 0.00 O ATOM 1542 CB HIS A 97 15.587 -6.982 2.731 1.00 0.00 C ATOM 1543 CG HIS A 97 16.073 -7.902 1.655 1.00 0.00 C ATOM 1544 ND1 HIS A 97 15.298 -8.286 0.586 1.00 0.00 N ATOM 1545 CD2 HIS A 97 17.265 -8.525 1.493 1.00 0.00 C ATOM 1546 CE1 HIS A 97 15.987 -9.105 -0.184 1.00 0.00 C ATOM 1547 NE2 HIS A 97 17.185 -9.270 0.341 1.00 0.00 N ATOM 1548 OXT HIS A 97 15.474 -3.969 0.707 1.00 0.00 O ATOM 0 H HIS A 97 14.744 -4.408 3.826 1.00 0.00 H new ATOM 0 HA HIS A 97 16.958 -5.422 2.185 1.00 0.00 H new ATOM 0 HB2 HIS A 97 16.032 -7.280 3.680 1.00 0.00 H new ATOM 0 HB3 HIS A 97 14.508 -7.096 2.834 1.00 0.00 H new ATOM 0 HD2 HIS A 97 18.120 -8.450 2.148 1.00 0.00 H new ATOM 0 HE1 HIS A 97 15.629 -9.564 -1.094 1.00 0.00 H new ATOM 0 HE2 HIS A 97 17.928 -9.853 -0.044 1.00 0.00 H new TER 1557 HIS A 97