USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 476 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 47 HIS : no HD1:sc= -0.0524 X(o=-0.045,f=-0.056) USER MOD Set 1.2: A 69 HIS : no HE2:sc= 0.00712 X(o=-0.045,f=-0.16) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -0.0586 K(o=-1.1,f=-5.2!) USER MOD Set 2.2: A 55 HIS : no HE2:sc= -1.01 X(o=-1.1,f=-1.4) USER MOD Set 3.1: A 17 HIS :FLIP no HD1:sc= -2.55 X(o=-11!,f=-10) USER MOD Set 3.2: A 21 GLN :FLIP amide:sc= -4.77! C(o=-14!,f=-10!) USER MOD Set 3.3: A 31 HIS :FLIP no HE2:sc= -2.8! C(o=-11!,f=-10!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.71! C(o=-1.7!,f=-3.3!) USER MOD Single : A 14 LYS NZ :NH3+ 154:sc= -0.0857 (180deg=-0.44) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.0497 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -157:sc= -4.49! (180deg=-6.19!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -131:sc= -0.473 (180deg=-2.29!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.182 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 1.781 2.675 -1.319 1.00 1.00 N ATOM 12 CA ASP A 2 1.230 3.646 -2.250 1.00 1.00 C ATOM 13 C ASP A 2 -0.290 3.697 -2.086 1.00 1.00 C ATOM 14 O ASP A 2 -0.852 4.756 -1.811 1.00 1.00 O ATOM 15 CB ASP A 2 1.537 3.255 -3.698 1.00 1.00 C ATOM 16 CG ASP A 2 1.725 1.756 -3.937 1.00 1.00 C ATOM 17 OD1 ASP A 2 0.787 1.050 -4.338 1.00 1.00 O ATOM 18 OD2 ASP A 2 2.911 1.309 -3.692 1.00 1.00 O ATOM 0 HA ASP A 2 1.681 4.615 -2.034 1.00 1.00 H new ATOM 0 HB2 ASP A 2 0.726 3.610 -4.334 1.00 1.00 H new ATOM 0 HB3 ASP A 2 2.441 3.774 -4.015 1.00 1.00 H new ATOM 24 N ASP A 3 -0.912 2.541 -2.262 1.00 1.00 N ATOM 25 CA ASP A 3 -2.357 2.441 -2.137 1.00 1.00 C ATOM 26 C ASP A 3 -2.702 1.710 -0.838 1.00 1.00 C ATOM 27 O ASP A 3 -2.124 0.668 -0.536 1.00 1.00 O ATOM 28 CB ASP A 3 -2.957 1.649 -3.300 1.00 1.00 C ATOM 29 CG ASP A 3 -4.475 1.475 -3.247 1.00 1.00 C ATOM 30 OD1 ASP A 3 -5.237 2.426 -3.474 1.00 1.00 O ATOM 31 OD2 ASP A 3 -4.878 0.284 -2.954 1.00 1.00 O ATOM 0 H ASP A 3 -0.442 1.665 -2.490 1.00 1.00 H new ATOM 0 HA ASP A 3 -2.767 3.451 -2.140 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -2.696 2.148 -4.233 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -2.494 0.663 -3.326 1.00 1.00 H new ATOM 37 N ILE A 4 -3.644 2.285 -0.105 1.00 1.00 N ATOM 38 CA ILE A 4 -4.074 1.702 1.154 1.00 1.00 C ATOM 39 C ILE A 4 -5.573 1.399 1.085 1.00 1.00 C ATOM 40 O ILE A 4 -6.394 2.315 1.065 1.00 1.00 O ATOM 41 CB ILE A 4 -3.683 2.604 2.325 1.00 1.00 C ATOM 42 CG1 ILE A 4 -2.166 2.805 2.379 1.00 1.00 C ATOM 43 CG2 ILE A 4 -4.236 2.063 3.644 1.00 1.00 C ATOM 44 CD1 ILE A 4 -1.718 3.222 3.781 1.00 1.00 C ATOM 0 H ILE A 4 -4.122 3.149 -0.359 1.00 1.00 H new ATOM 0 HA ILE A 4 -3.564 0.755 1.328 1.00 1.00 H new ATOM 0 HB ILE A 4 -4.133 3.584 2.166 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.663 1.882 2.092 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -1.871 3.567 1.657 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -3.943 2.724 4.460 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -5.324 2.014 3.590 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -3.836 1.065 3.824 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -0.637 3.358 3.792 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -2.204 4.158 4.055 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -1.993 2.447 4.496 1.00 1.00 H new ATOM 51 N VAL A 5 -5.882 0.111 1.052 1.00 1.00 N ATOM 52 CA VAL A 5 -7.268 -0.324 0.986 1.00 1.00 C ATOM 53 C VAL A 5 -7.818 -0.476 2.406 1.00 1.00 C ATOM 54 O VAL A 5 -7.224 -1.161 3.236 1.00 1.00 O ATOM 55 CB VAL A 5 -7.374 -1.609 0.164 1.00 1.00 C ATOM 56 CG1 VAL A 5 -8.728 -2.288 0.381 1.00 1.00 C ATOM 57 CG2 VAL A 5 -7.132 -1.331 -1.322 1.00 1.00 C ATOM 0 H VAL A 5 -5.198 -0.645 1.070 1.00 1.00 H new ATOM 0 HA VAL A 5 -7.879 0.422 0.478 1.00 1.00 H new ATOM 0 HB VAL A 5 -6.597 -2.292 0.508 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -8.778 -3.199 -0.215 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -8.845 -2.537 1.436 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -9.527 -1.612 0.077 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -7.213 -2.261 -1.884 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -7.876 -0.622 -1.685 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -6.135 -0.912 -1.456 1.00 1.00 H new ATOM 63 N LEU A 6 -8.947 0.177 2.641 1.00 1.00 N ATOM 64 CA LEU A 6 -9.585 0.123 3.946 1.00 1.00 C ATOM 65 C LEU A 6 -10.746 -0.871 3.901 1.00 1.00 C ATOM 66 O LEU A 6 -11.897 -0.477 3.714 1.00 1.00 O ATOM 67 CB LEU A 6 -9.991 1.526 4.402 1.00 1.00 C ATOM 68 CG LEU A 6 -8.857 2.544 4.532 1.00 1.00 C ATOM 69 CD1 LEU A 6 -9.379 3.971 4.358 1.00 1.00 C ATOM 70 CD2 LEU A 6 -8.107 2.364 5.854 1.00 1.00 C ATOM 0 H LEU A 6 -9.436 0.746 1.950 1.00 1.00 H new ATOM 0 HA LEU A 6 -8.885 -0.240 4.698 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -10.725 1.917 3.697 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -10.490 1.442 5.368 1.00 1.00 H new ATOM 0 HG LEU A 6 -8.142 2.363 3.730 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -8.553 4.675 4.455 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -9.831 4.075 3.372 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -10.126 4.181 5.123 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -7.306 3.100 5.921 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -8.798 2.502 6.686 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.683 1.361 5.898 1.00 1.00 H new ATOM 78 N LYS A 7 -10.406 -2.140 4.075 1.00 1.00 N ATOM 79 CA LYS A 7 -11.408 -3.192 4.055 1.00 1.00 C ATOM 80 C LYS A 7 -12.693 -2.679 4.706 1.00 1.00 C ATOM 81 O LYS A 7 -12.725 -2.424 5.909 1.00 1.00 O ATOM 82 CB LYS A 7 -10.858 -4.466 4.700 1.00 1.00 C ATOM 83 CG LYS A 7 -9.906 -5.195 3.750 1.00 1.00 C ATOM 84 CD LYS A 7 -8.446 -4.944 4.136 1.00 1.00 C ATOM 85 CE LYS A 7 -7.729 -6.257 4.450 1.00 1.00 C ATOM 86 NZ LYS A 7 -6.337 -5.997 4.882 1.00 1.00 N ATOM 0 H LYS A 7 -9.451 -2.463 4.230 1.00 1.00 H new ATOM 0 HA LYS A 7 -11.657 -3.463 3.029 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -10.335 -4.214 5.622 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -11.682 -5.126 4.971 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -10.113 -6.265 3.773 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -10.079 -4.858 2.728 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -7.934 -4.431 3.322 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -8.404 -4.286 5.004 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -8.265 -6.793 5.233 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -7.729 -6.898 3.568 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -5.864 -6.899 5.091 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -5.824 -5.505 4.123 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -6.344 -5.403 5.736 1.00 1.00 H new ATOM 99 N ALA A 8 -13.723 -2.543 3.883 1.00 1.00 N ATOM 100 CA ALA A 8 -15.008 -2.065 4.363 1.00 1.00 C ATOM 101 C ALA A 8 -16.065 -3.147 4.139 1.00 1.00 C ATOM 102 O ALA A 8 -16.000 -3.892 3.163 1.00 1.00 O ATOM 103 CB ALA A 8 -15.359 -0.752 3.661 1.00 1.00 C ATOM 0 H ALA A 8 -13.693 -2.756 2.886 1.00 1.00 H new ATOM 0 HA ALA A 8 -14.967 -1.861 5.433 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -16.323 -0.393 4.021 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -14.592 -0.008 3.876 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -15.412 -0.918 2.585 1.00 1.00 H new ATOM 109 N LYS A 9 -17.016 -3.200 5.061 1.00 1.00 N ATOM 110 CA LYS A 9 -18.087 -4.178 4.977 1.00 1.00 C ATOM 111 C LYS A 9 -19.126 -3.705 3.958 1.00 1.00 C ATOM 112 O LYS A 9 -20.016 -4.463 3.577 1.00 1.00 O ATOM 113 CB LYS A 9 -18.668 -4.458 6.365 1.00 1.00 C ATOM 114 CG LYS A 9 -17.943 -5.624 7.039 1.00 1.00 C ATOM 115 CD LYS A 9 -18.900 -6.791 7.292 1.00 1.00 C ATOM 116 CE LYS A 9 -18.286 -7.801 8.264 1.00 1.00 C ATOM 117 NZ LYS A 9 -19.278 -8.207 9.285 1.00 1.00 N ATOM 0 H LYS A 9 -17.067 -2.581 5.870 1.00 1.00 H new ATOM 0 HA LYS A 9 -17.703 -5.133 4.620 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -18.583 -3.566 6.985 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -19.730 -4.687 6.279 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -17.117 -5.956 6.410 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -17.511 -5.292 7.983 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -19.839 -6.415 7.698 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -19.135 -7.285 6.349 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -17.940 -8.677 7.716 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -17.414 -7.363 8.750 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -18.845 -8.892 9.936 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -19.589 -7.370 9.819 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -20.098 -8.644 8.818 1.00 1.00 H new ATOM 130 N ASN A 10 -18.977 -2.455 3.548 1.00 1.00 N ATOM 131 CA ASN A 10 -19.891 -1.871 2.581 1.00 1.00 C ATOM 132 C ASN A 10 -19.091 -1.117 1.518 1.00 1.00 C ATOM 133 O ASN A 10 -19.160 0.108 1.436 1.00 1.00 O ATOM 134 CB ASN A 10 -20.842 -0.877 3.251 1.00 1.00 C ATOM 135 CG ASN A 10 -21.551 -0.009 2.210 1.00 1.00 C ATOM 136 OD1 ASN A 10 -21.680 -0.366 1.051 1.00 1.00 O ATOM 137 ND2 ASN A 10 -22.005 1.147 2.687 1.00 1.00 N ATOM 0 H ASN A 10 -18.237 -1.830 3.867 1.00 1.00 H new ATOM 0 HA ASN A 10 -20.470 -2.680 2.135 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -21.581 -1.418 3.843 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -20.284 -0.242 3.940 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -22.495 1.796 2.071 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -21.863 1.385 3.669 1.00 1.00 H new ATOM 143 N GLY A 11 -18.348 -1.880 0.730 1.00 1.00 N ATOM 144 CA GLY A 11 -17.535 -1.300 -0.324 1.00 1.00 C ATOM 145 C GLY A 11 -16.186 -0.824 0.223 1.00 1.00 C ATOM 146 O GLY A 11 -16.131 -0.158 1.255 1.00 1.00 O ATOM 0 H GLY A 11 -18.292 -2.896 0.801 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -17.373 -2.037 -1.111 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -18.064 -0.462 -0.777 1.00 1.00 H new ATOM 150 N ASP A 12 -15.132 -1.185 -0.495 1.00 1.00 N ATOM 151 CA ASP A 12 -13.789 -0.804 -0.094 1.00 1.00 C ATOM 152 C ASP A 12 -13.568 0.677 -0.408 1.00 1.00 C ATOM 153 O ASP A 12 -14.390 1.303 -1.075 1.00 1.00 O ATOM 154 CB ASP A 12 -12.737 -1.610 -0.859 1.00 1.00 C ATOM 155 CG ASP A 12 -13.184 -3.007 -1.295 1.00 1.00 C ATOM 156 OD1 ASP A 12 -13.364 -3.276 -2.492 1.00 1.00 O ATOM 157 OD2 ASP A 12 -13.349 -3.851 -0.334 1.00 1.00 O ATOM 0 H ASP A 12 -15.181 -1.737 -1.351 1.00 1.00 H new ATOM 0 HA ASP A 12 -13.688 -0.999 0.974 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -12.442 -1.046 -1.744 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -11.850 -1.708 -0.233 1.00 1.00 H new ATOM 163 N VAL A 13 -12.456 1.195 0.090 1.00 1.00 N ATOM 164 CA VAL A 13 -12.117 2.591 -0.128 1.00 1.00 C ATOM 165 C VAL A 13 -10.733 2.682 -0.772 1.00 1.00 C ATOM 166 O VAL A 13 -9.794 2.021 -0.329 1.00 1.00 O ATOM 167 CB VAL A 13 -12.216 3.366 1.188 1.00 1.00 C ATOM 168 CG1 VAL A 13 -11.703 4.797 1.021 1.00 1.00 C ATOM 169 CG2 VAL A 13 -13.649 3.356 1.724 1.00 1.00 C ATOM 0 H VAL A 13 -11.777 0.673 0.644 1.00 1.00 H new ATOM 0 HA VAL A 13 -12.826 3.052 -0.816 1.00 1.00 H new ATOM 0 HB VAL A 13 -11.582 2.866 1.920 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -11.784 5.326 1.971 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -10.660 4.775 0.706 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -12.299 5.311 0.267 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -13.691 3.914 2.660 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -14.313 3.820 0.995 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -13.965 2.328 1.900 1.00 1.00 H new ATOM 175 N LYS A 14 -10.650 3.504 -1.808 1.00 1.00 N ATOM 176 CA LYS A 14 -9.395 3.690 -2.517 1.00 1.00 C ATOM 177 C LYS A 14 -8.701 4.951 -1.998 1.00 1.00 C ATOM 178 O LYS A 14 -9.038 6.061 -2.407 1.00 1.00 O ATOM 179 CB LYS A 14 -9.631 3.696 -4.029 1.00 1.00 C ATOM 180 CG LYS A 14 -9.352 2.317 -4.632 1.00 1.00 C ATOM 181 CD LYS A 14 -7.950 1.829 -4.260 1.00 1.00 C ATOM 182 CE LYS A 14 -7.250 1.200 -5.467 1.00 1.00 C ATOM 183 NZ LYS A 14 -6.990 2.222 -6.505 1.00 1.00 N ATOM 0 H LYS A 14 -11.431 4.049 -2.173 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.722 2.855 -2.325 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -10.660 3.988 -4.239 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -8.987 4.439 -4.498 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -10.095 1.604 -4.276 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -9.449 2.364 -5.717 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -7.358 2.664 -3.886 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -8.017 1.099 -3.453 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -6.311 0.744 -5.154 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -7.869 0.403 -5.880 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -6.175 1.932 -7.081 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -7.827 2.319 -7.114 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -6.785 3.134 -6.050 1.00 1.00 H new ATOM 196 N PHE A 15 -7.747 4.737 -1.105 1.00 1.00 N ATOM 197 CA PHE A 15 -7.003 5.843 -0.526 1.00 1.00 C ATOM 198 C PHE A 15 -5.542 5.816 -0.976 1.00 1.00 C ATOM 199 O PHE A 15 -4.744 4.981 -0.557 1.00 1.00 O ATOM 200 CB PHE A 15 -7.059 5.672 0.994 1.00 1.00 C ATOM 201 CG PHE A 15 -6.508 6.867 1.776 1.00 1.00 C ATOM 202 CD1 PHE A 15 -6.751 8.133 1.342 1.00 1.00 C ATOM 203 CD2 PHE A 15 -5.778 6.663 2.904 1.00 1.00 C ATOM 204 CE1 PHE A 15 -6.240 9.242 2.066 1.00 1.00 C ATOM 205 CE2 PHE A 15 -5.266 7.773 3.628 1.00 1.00 C ATOM 206 CZ PHE A 15 -5.509 9.038 3.195 1.00 1.00 C ATOM 0 H PHE A 15 -7.472 3.815 -0.768 1.00 1.00 H new ATOM 0 HA PHE A 15 -7.436 6.791 -0.846 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -8.093 5.502 1.292 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -6.497 4.780 1.270 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.333 8.294 0.447 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -5.587 5.658 3.250 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -6.431 10.247 1.721 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -4.683 7.611 4.523 1.00 1.00 H new ATOM 0 HZ PHE A 15 -5.122 9.881 3.747 1.00 1.00 H new ATOM 216 N PRO A 16 -5.205 6.765 -1.853 1.00 1.00 N ATOM 217 CA PRO A 16 -3.879 6.927 -2.411 1.00 1.00 C ATOM 218 C PRO A 16 -2.980 7.616 -1.396 1.00 1.00 C ATOM 219 O PRO A 16 -2.864 8.840 -1.429 1.00 1.00 O ATOM 220 CB PRO A 16 -4.078 7.800 -3.648 1.00 1.00 C ATOM 221 CG PRO A 16 -5.259 8.660 -3.257 1.00 1.00 C ATOM 222 CD PRO A 16 -6.117 7.763 -2.368 1.00 1.00 C ATOM 0 HA PRO A 16 -3.406 5.978 -2.663 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -3.195 8.400 -3.868 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -4.287 7.203 -4.536 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -4.938 9.555 -2.724 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.813 8.994 -4.134 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -6.577 8.332 -1.560 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -6.926 7.303 -2.935 1.00 1.00 H new ATOM 230 N HIS A 17 -2.361 6.830 -0.514 1.00 1.00 N ATOM 231 CA HIS A 17 -1.469 7.347 0.519 1.00 1.00 C ATOM 232 C HIS A 17 -0.321 8.140 -0.133 1.00 1.00 C ATOM 233 O HIS A 17 -0.153 9.326 0.144 1.00 1.00 O ATOM 234 CB HIS A 17 -1.008 6.182 1.406 1.00 1.00 C ATOM 235 CG HIS A 17 -0.272 6.544 2.675 1.00 1.00 C ATOM 236 ND1 HIS A 17 -0.707 7.133 3.839 1.00 1.00 N flip ATOM 237 CD2 HIS A 17 1.033 6.311 2.842 1.00 1.00 C flip ATOM 238 CE1 HIS A 17 0.361 7.255 4.718 1.00 1.00 C flip ATOM 239 NE2 HIS A 17 1.397 6.738 4.061 1.00 1.00 N flip ATOM 0 H HIS A 17 -2.466 5.816 -0.498 1.00 1.00 H new ATOM 0 HA HIS A 17 -1.982 8.053 1.172 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -1.885 5.594 1.677 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -0.362 5.536 0.811 1.00 1.00 H new ATOM 0 HD2 HIS A 17 1.688 5.854 2.115 1.00 1.00 H new ATOM 0 HE1 HIS A 17 0.353 7.676 5.713 1.00 1.00 H new ATOM 0 HE2 HIS A 17 2.344 6.675 4.435 1.00 1.00 H new ATOM 247 N LYS A 18 0.431 7.454 -0.983 1.00 1.00 N ATOM 248 CA LYS A 18 1.547 8.080 -1.668 1.00 1.00 C ATOM 249 C LYS A 18 1.125 9.466 -2.162 1.00 1.00 C ATOM 250 O LYS A 18 1.903 10.416 -2.099 1.00 1.00 O ATOM 251 CB LYS A 18 2.077 7.167 -2.776 1.00 1.00 C ATOM 252 CG LYS A 18 2.638 7.987 -3.940 1.00 1.00 C ATOM 253 CD LYS A 18 3.956 8.660 -3.552 1.00 1.00 C ATOM 254 CE LYS A 18 4.762 9.044 -4.795 1.00 1.00 C ATOM 255 NZ LYS A 18 6.177 8.637 -4.640 1.00 1.00 N ATOM 0 H LYS A 18 0.288 6.470 -1.212 1.00 1.00 H new ATOM 0 HA LYS A 18 2.381 8.226 -0.982 1.00 1.00 H new ATOM 0 HB2 LYS A 18 2.855 6.517 -2.376 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.276 6.521 -3.134 1.00 1.00 H new ATOM 0 HG2 LYS A 18 2.796 7.340 -4.802 1.00 1.00 H new ATOM 0 HG3 LYS A 18 1.913 8.744 -4.239 1.00 1.00 H new ATOM 0 HD2 LYS A 18 3.753 9.550 -2.957 1.00 1.00 H new ATOM 0 HD3 LYS A 18 4.543 7.986 -2.928 1.00 1.00 H new ATOM 0 HE2 LYS A 18 4.334 8.565 -5.676 1.00 1.00 H new ATOM 0 HE3 LYS A 18 4.702 10.120 -4.956 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 6.710 8.905 -5.492 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 6.586 9.113 -3.811 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 6.229 7.607 -4.508 1.00 1.00 H new ATOM 268 N ALA A 19 -0.108 9.536 -2.644 1.00 1.00 N ATOM 269 CA ALA A 19 -0.644 10.788 -3.148 1.00 1.00 C ATOM 270 C ALA A 19 -0.755 11.790 -1.997 1.00 1.00 C ATOM 271 O ALA A 19 -0.446 12.970 -2.156 1.00 1.00 O ATOM 272 CB ALA A 19 -1.989 10.531 -3.830 1.00 1.00 C ATOM 0 H ALA A 19 -0.750 8.745 -2.696 1.00 1.00 H new ATOM 0 HA ALA A 19 0.023 11.217 -3.896 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -2.391 11.471 -4.208 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -1.850 9.836 -4.659 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.686 10.102 -3.110 1.00 1.00 H new ATOM 278 N HIS A 20 -1.204 11.282 -0.849 1.00 1.00 N ATOM 279 CA HIS A 20 -1.377 12.084 0.358 1.00 1.00 C ATOM 280 C HIS A 20 -0.018 12.269 1.059 1.00 1.00 C ATOM 281 O HIS A 20 0.036 12.786 2.173 1.00 1.00 O ATOM 282 CB HIS A 20 -2.458 11.435 1.235 1.00 1.00 C ATOM 283 CG HIS A 20 -3.890 11.600 0.781 1.00 1.00 C ATOM 284 ND1 HIS A 20 -4.400 10.926 -0.254 1.00 1.00 N ATOM 285 CD2 HIS A 20 -4.908 12.390 1.261 1.00 1.00 C ATOM 286 CE1 HIS A 20 -5.684 11.281 -0.413 1.00 1.00 C ATOM 287 NE2 HIS A 20 -6.049 12.183 0.497 1.00 1.00 N ATOM 0 H HIS A 20 -1.458 10.301 -0.732 1.00 1.00 H new ATOM 0 HA HIS A 20 -1.727 13.089 0.123 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -2.244 10.369 1.305 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -2.371 11.845 2.241 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -3.895 10.252 -0.829 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -4.832 13.065 2.100 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -6.336 10.887 -1.178 1.00 1.00 H new ATOM 295 N GLN A 21 1.034 11.837 0.379 1.00 1.00 N ATOM 296 CA GLN A 21 2.376 11.951 0.924 1.00 1.00 C ATOM 297 C GLN A 21 3.031 13.250 0.453 1.00 1.00 C ATOM 298 O GLN A 21 4.206 13.492 0.726 1.00 1.00 O ATOM 299 CB GLN A 21 3.227 10.738 0.545 1.00 1.00 C ATOM 300 CG GLN A 21 3.741 10.017 1.793 1.00 1.00 C ATOM 301 CD GLN A 21 3.669 8.498 1.618 1.00 1.00 C ATOM 302 OE1 GLN A 21 3.328 7.842 2.722 1.00 1.00 O flip ATOM 303 NE2 GLN A 21 3.908 7.959 0.550 1.00 1.00 N flip ATOM 0 H GLN A 21 0.984 11.407 -0.545 1.00 1.00 H new ATOM 0 HA GLN A 21 2.305 11.977 2.011 1.00 1.00 H new ATOM 0 HB2 GLN A 21 2.636 10.050 -0.060 1.00 1.00 H new ATOM 0 HB3 GLN A 21 4.070 11.058 -0.068 1.00 1.00 H new ATOM 0 HG2 GLN A 21 4.770 10.315 1.992 1.00 1.00 H new ATOM 0 HG3 GLN A 21 3.150 10.315 2.659 1.00 1.00 H new ATOM 0 HE21 GLN A 21 4.165 8.523 -0.260 1.00 1.00 H new ATOM 0 HE22 GLN A 21 3.851 6.944 0.467 1.00 1.00 H new ATOM 311 N LYS A 22 2.244 14.054 -0.246 1.00 1.00 N ATOM 312 CA LYS A 22 2.734 15.322 -0.759 1.00 1.00 C ATOM 313 C LYS A 22 1.544 16.210 -1.129 1.00 1.00 C ATOM 314 O LYS A 22 1.591 16.933 -2.124 1.00 1.00 O ATOM 315 CB LYS A 22 3.713 15.093 -1.912 1.00 1.00 C ATOM 316 CG LYS A 22 4.654 16.287 -2.078 1.00 1.00 C ATOM 317 CD LYS A 22 5.924 15.884 -2.830 1.00 1.00 C ATOM 318 CE LYS A 22 6.889 15.133 -1.911 1.00 1.00 C ATOM 319 NZ LYS A 22 8.240 15.736 -1.975 1.00 1.00 N ATOM 0 H LYS A 22 1.270 13.852 -0.469 1.00 1.00 H new ATOM 0 HA LYS A 22 3.301 15.850 0.008 1.00 1.00 H new ATOM 0 HB2 LYS A 22 4.295 14.190 -1.726 1.00 1.00 H new ATOM 0 HB3 LYS A 22 3.159 14.930 -2.837 1.00 1.00 H new ATOM 0 HG2 LYS A 22 4.144 17.084 -2.619 1.00 1.00 H new ATOM 0 HG3 LYS A 22 4.918 16.685 -1.098 1.00 1.00 H new ATOM 0 HD2 LYS A 22 5.663 15.255 -3.681 1.00 1.00 H new ATOM 0 HD3 LYS A 22 6.413 16.773 -3.228 1.00 1.00 H new ATOM 0 HE2 LYS A 22 6.520 15.161 -0.886 1.00 1.00 H new ATOM 0 HE3 LYS A 22 6.938 14.084 -2.204 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 8.883 15.215 -1.346 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 8.596 15.687 -2.951 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 8.191 16.730 -1.674 1.00 1.00 H new ATOM 332 N ALA A 23 0.506 16.128 -0.309 1.00 1.00 N ATOM 333 CA ALA A 23 -0.693 16.916 -0.539 1.00 1.00 C ATOM 334 C ALA A 23 -1.229 17.422 0.802 1.00 1.00 C ATOM 335 O ALA A 23 -2.393 17.807 0.904 1.00 1.00 O ATOM 336 CB ALA A 23 -1.720 16.074 -1.297 1.00 1.00 C ATOM 0 H ALA A 23 0.471 15.528 0.515 1.00 1.00 H new ATOM 0 HA ALA A 23 -0.468 17.787 -1.155 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.619 16.665 -1.469 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -1.301 15.764 -2.254 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -1.973 15.192 -0.709 1.00 1.00 H new ATOM 391 N LYS A 28 1.390 15.484 9.448 1.00 1.00 N ATOM 392 CA LYS A 28 1.242 15.114 10.845 1.00 1.00 C ATOM 393 C LYS A 28 -0.235 15.198 11.236 1.00 1.00 C ATOM 394 O LYS A 28 -0.658 14.580 12.212 1.00 1.00 O ATOM 395 CB LYS A 28 2.162 15.961 11.725 1.00 1.00 C ATOM 396 CG LYS A 28 3.629 15.588 11.506 1.00 1.00 C ATOM 397 CD LYS A 28 4.185 14.818 12.706 1.00 1.00 C ATOM 398 CE LYS A 28 5.278 13.840 12.272 1.00 1.00 C ATOM 399 NZ LYS A 28 4.724 12.475 12.128 1.00 1.00 N ATOM 0 HA LYS A 28 1.555 14.082 11.001 1.00 1.00 H new ATOM 0 HB2 LYS A 28 2.015 17.017 11.500 1.00 1.00 H new ATOM 0 HB3 LYS A 28 1.900 15.819 12.773 1.00 1.00 H new ATOM 0 HG2 LYS A 28 3.723 14.982 10.605 1.00 1.00 H new ATOM 0 HG3 LYS A 28 4.217 16.491 11.345 1.00 1.00 H new ATOM 0 HD2 LYS A 28 4.589 15.519 13.437 1.00 1.00 H new ATOM 0 HD3 LYS A 28 3.379 14.273 13.198 1.00 1.00 H new ATOM 0 HE2 LYS A 28 5.710 14.165 11.326 1.00 1.00 H new ATOM 0 HE3 LYS A 28 6.084 13.836 13.006 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 5.479 11.823 11.833 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 4.332 12.161 13.039 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 3.971 12.480 11.411 1.00 1.00 H new ATOM 412 N LYS A 29 -0.978 15.969 10.456 1.00 1.00 N ATOM 413 CA LYS A 29 -2.398 16.143 10.709 1.00 1.00 C ATOM 414 C LYS A 29 -3.003 14.804 11.135 1.00 1.00 C ATOM 415 O LYS A 29 -3.649 14.715 12.178 1.00 1.00 O ATOM 416 CB LYS A 29 -3.086 16.770 9.494 1.00 1.00 C ATOM 417 CG LYS A 29 -4.473 17.297 9.863 1.00 1.00 C ATOM 418 CD LYS A 29 -5.096 18.067 8.695 1.00 1.00 C ATOM 419 CE LYS A 29 -4.457 19.448 8.546 1.00 1.00 C ATOM 420 NZ LYS A 29 -5.479 20.509 8.680 1.00 1.00 N ATOM 0 H LYS A 29 -0.623 16.481 9.648 1.00 1.00 H new ATOM 0 HA LYS A 29 -2.556 16.841 11.531 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -2.475 17.585 9.105 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -3.174 16.030 8.699 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -5.120 16.465 10.141 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -4.399 17.948 10.734 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -4.967 17.501 7.772 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -6.169 18.174 8.856 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -3.684 19.581 9.303 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -3.968 19.526 7.575 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -5.028 21.440 8.576 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -6.202 20.390 7.942 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -5.927 20.444 9.616 1.00 1.00 H new ATOM 433 N CYS A 30 -2.772 13.796 10.306 1.00 1.00 N ATOM 434 CA CYS A 30 -3.287 12.466 10.584 1.00 1.00 C ATOM 435 C CYS A 30 -2.324 11.770 11.549 1.00 1.00 C ATOM 436 O CYS A 30 -2.746 11.039 12.442 1.00 1.00 O ATOM 437 CB CYS A 30 -3.492 11.659 9.301 1.00 1.00 C ATOM 438 SG CYS A 30 -3.942 12.777 7.923 1.00 1.00 S ATOM 0 H CYS A 30 -2.235 13.874 9.442 1.00 1.00 H new ATOM 0 HA CYS A 30 -4.271 12.544 11.047 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -2.581 11.114 9.055 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -4.277 10.917 9.450 1.00 1.00 H new ATOM 0 HG CYS A 30 -4.112 12.082 6.838 1.00 1.00 H new ATOM 443 N HIS A 31 -1.032 12.023 11.336 1.00 1.00 N ATOM 444 CA HIS A 31 0.032 11.450 12.152 1.00 1.00 C ATOM 445 C HIS A 31 0.527 12.494 13.170 1.00 1.00 C ATOM 446 O HIS A 31 1.701 12.860 13.161 1.00 1.00 O ATOM 447 CB HIS A 31 1.128 10.903 11.227 1.00 1.00 C ATOM 448 CG HIS A 31 0.705 9.866 10.211 1.00 1.00 C ATOM 449 ND1 HIS A 31 0.954 9.764 8.863 1.00 1.00 N flip ATOM 450 CD2 HIS A 31 -0.043 8.807 10.534 1.00 1.00 C flip ATOM 451 CE1 HIS A 31 0.340 8.618 8.370 1.00 1.00 C flip ATOM 452 NE2 HIS A 31 -0.253 8.073 9.429 1.00 1.00 N flip ATOM 0 H HIS A 31 -0.696 12.633 10.590 1.00 1.00 H new ATOM 0 HA HIS A 31 -0.328 10.608 12.743 1.00 1.00 H new ATOM 0 HB2 HIS A 31 1.572 11.743 10.692 1.00 1.00 H new ATOM 0 HB3 HIS A 31 1.913 10.471 11.848 1.00 1.00 H new ATOM 0 HD1 HIS A 31 1.502 10.424 8.312 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -0.417 8.579 11.521 1.00 1.00 H new ATOM 0 HE1 HIS A 31 0.344 8.252 7.354 1.00 1.00 H new ATOM 460 N GLU A 32 -0.391 12.938 14.017 1.00 1.00 N ATOM 461 CA GLU A 32 -0.059 13.925 15.031 1.00 1.00 C ATOM 462 C GLU A 32 0.664 13.259 16.204 1.00 1.00 C ATOM 463 O GLU A 32 0.142 13.216 17.316 1.00 1.00 O ATOM 464 CB GLU A 32 -1.310 14.664 15.507 1.00 1.00 C ATOM 465 CG GLU A 32 -0.940 15.966 16.221 1.00 1.00 C ATOM 466 CD GLU A 32 -1.987 16.330 17.276 1.00 1.00 C ATOM 467 OE1 GLU A 32 -1.749 16.139 18.478 1.00 1.00 O ATOM 468 OE2 GLU A 32 -3.080 16.831 16.808 1.00 1.00 O ATOM 0 H GLU A 32 -1.364 12.632 14.022 1.00 1.00 H new ATOM 0 HA GLU A 32 0.611 14.661 14.587 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -1.954 14.883 14.655 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -1.880 14.025 16.181 1.00 1.00 H new ATOM 0 HG2 GLU A 32 0.036 15.861 16.694 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -0.856 16.773 15.493 1.00 1.00 H new ATOM 476 N LYS A 33 1.855 12.755 15.913 1.00 1.00 N ATOM 477 CA LYS A 33 2.655 12.093 16.930 1.00 1.00 C ATOM 478 C LYS A 33 3.732 11.244 16.252 1.00 1.00 C ATOM 479 O LYS A 33 4.899 11.289 16.640 1.00 1.00 O ATOM 480 CB LYS A 33 1.760 11.303 17.886 1.00 1.00 C ATOM 481 CG LYS A 33 0.675 10.545 17.119 1.00 1.00 C ATOM 482 CD LYS A 33 -0.701 10.772 17.749 1.00 1.00 C ATOM 483 CE LYS A 33 -1.239 9.483 18.374 1.00 1.00 C ATOM 484 NZ LYS A 33 -0.954 9.454 19.826 1.00 1.00 N ATOM 0 H LYS A 33 2.285 12.792 14.989 1.00 1.00 H new ATOM 0 HA LYS A 33 3.170 12.828 17.548 1.00 1.00 H new ATOM 0 HB2 LYS A 33 2.365 10.600 18.459 1.00 1.00 H new ATOM 0 HB3 LYS A 33 1.297 11.982 18.602 1.00 1.00 H new ATOM 0 HG2 LYS A 33 0.662 10.874 16.080 1.00 1.00 H new ATOM 0 HG3 LYS A 33 0.905 9.480 17.113 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -0.632 11.548 18.511 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -1.397 11.131 16.991 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -2.314 9.412 18.207 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -0.783 8.619 17.890 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -1.325 8.573 20.235 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 0.074 9.501 19.979 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -1.410 10.268 20.286 1.00 1.00 H new ATOM 497 N GLY A 34 3.303 10.489 15.251 1.00 1.00 N ATOM 498 CA GLY A 34 4.215 9.632 14.515 1.00 1.00 C ATOM 499 C GLY A 34 3.449 8.622 13.658 1.00 1.00 C ATOM 500 O GLY A 34 2.286 8.308 13.903 1.00 1.00 O ATOM 0 H GLY A 34 2.335 10.454 14.933 1.00 1.00 H new ATOM 0 HA2 GLY A 34 4.858 10.241 13.879 1.00 1.00 H new ATOM 0 HA3 GLY A 34 4.865 9.103 15.212 1.00 1.00 H new ATOM 504 N PRO A 35 4.136 8.116 12.632 1.00 1.00 N ATOM 505 CA PRO A 35 3.609 7.146 11.695 1.00 1.00 C ATOM 506 C PRO A 35 3.150 5.906 12.449 1.00 1.00 C ATOM 507 O PRO A 35 2.877 6.005 13.644 1.00 1.00 O ATOM 508 CB PRO A 35 4.779 6.822 10.768 1.00 1.00 C ATOM 509 CG PRO A 35 6.079 7.222 11.635 1.00 1.00 C ATOM 510 CD PRO A 35 5.505 8.463 12.315 1.00 1.00 C ATOM 0 HA PRO A 35 2.748 7.517 11.138 1.00 1.00 H new ATOM 0 HB2 PRO A 35 4.791 5.767 10.492 1.00 1.00 H new ATOM 0 HB3 PRO A 35 4.725 7.393 9.841 1.00 1.00 H new ATOM 0 HG2 PRO A 35 6.374 6.447 12.342 1.00 1.00 H new ATOM 0 HG3 PRO A 35 6.951 7.439 11.019 1.00 1.00 H new ATOM 0 HD2 PRO A 35 6.067 8.716 13.214 1.00 1.00 H new ATOM 0 HD3 PRO A 35 5.550 9.331 11.657 1.00 1.00 H new ATOM 518 N GLY A 36 3.072 4.783 11.751 1.00 1.00 N ATOM 519 CA GLY A 36 2.643 3.542 12.375 1.00 1.00 C ATOM 520 C GLY A 36 1.131 3.543 12.612 1.00 1.00 C ATOM 521 O GLY A 36 0.488 4.588 12.538 1.00 1.00 O ATOM 0 H GLY A 36 3.298 4.706 10.759 1.00 1.00 H new ATOM 0 HA2 GLY A 36 2.915 2.698 11.740 1.00 1.00 H new ATOM 0 HA3 GLY A 36 3.164 3.408 13.323 1.00 1.00 H new ATOM 525 N LYS A 37 0.608 2.358 12.892 1.00 1.00 N ATOM 526 CA LYS A 37 -0.816 2.210 13.141 1.00 1.00 C ATOM 527 C LYS A 37 -1.334 3.449 13.872 1.00 1.00 C ATOM 528 O LYS A 37 -0.708 3.923 14.819 1.00 1.00 O ATOM 529 CB LYS A 37 -1.096 0.898 13.879 1.00 1.00 C ATOM 530 CG LYS A 37 -0.165 0.736 15.082 1.00 1.00 C ATOM 531 CD LYS A 37 1.028 -0.157 14.735 1.00 1.00 C ATOM 532 CE LYS A 37 2.332 0.435 15.273 1.00 1.00 C ATOM 533 NZ LYS A 37 2.958 1.314 14.259 1.00 1.00 N ATOM 0 H LYS A 37 1.144 1.492 12.952 1.00 1.00 H new ATOM 0 HA LYS A 37 -1.363 2.144 12.200 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -2.134 0.878 14.212 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -0.964 0.058 13.197 1.00 1.00 H new ATOM 0 HG2 LYS A 37 0.190 1.714 15.406 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -0.716 0.304 15.918 1.00 1.00 H new ATOM 0 HD2 LYS A 37 0.876 -1.152 15.154 1.00 1.00 H new ATOM 0 HD3 LYS A 37 1.097 -0.274 13.653 1.00 1.00 H new ATOM 0 HE2 LYS A 37 2.133 1.002 16.182 1.00 1.00 H new ATOM 0 HE3 LYS A 37 3.019 -0.367 15.542 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 3.977 1.394 14.450 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 2.814 0.909 13.312 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 2.523 2.258 14.302 1.00 1.00 H new ATOM 546 N ILE A 38 -2.473 3.940 13.406 1.00 1.00 N ATOM 547 CA ILE A 38 -3.083 5.115 14.003 1.00 1.00 C ATOM 548 C ILE A 38 -4.138 4.676 15.020 1.00 1.00 C ATOM 549 O ILE A 38 -5.266 4.355 14.650 1.00 1.00 O ATOM 550 CB ILE A 38 -3.625 6.048 12.918 1.00 1.00 C ATOM 551 CG1 ILE A 38 -2.486 6.774 12.199 1.00 1.00 C ATOM 552 CG2 ILE A 38 -4.652 7.023 13.496 1.00 1.00 C ATOM 553 CD1 ILE A 38 -1.817 5.862 11.170 1.00 1.00 C ATOM 0 H ILE A 38 -2.990 3.544 12.621 1.00 1.00 H new ATOM 0 HA ILE A 38 -2.338 5.696 14.547 1.00 1.00 H new ATOM 0 HB ILE A 38 -4.141 5.442 12.173 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -2.873 7.664 11.704 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -1.747 7.110 12.927 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -5.021 7.674 12.704 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.484 6.464 13.923 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -4.183 7.627 14.273 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -1.011 6.403 10.674 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -1.410 4.984 11.672 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -2.553 5.548 10.430 1.00 1.00 H new ATOM 560 N GLU A 39 -3.734 4.676 16.282 1.00 1.00 N ATOM 561 CA GLU A 39 -4.630 4.280 17.355 1.00 1.00 C ATOM 562 C GLU A 39 -5.657 3.270 16.843 1.00 1.00 C ATOM 563 O GLU A 39 -5.303 2.313 16.156 1.00 1.00 O ATOM 564 CB GLU A 39 -5.321 5.501 17.969 1.00 1.00 C ATOM 565 CG GLU A 39 -4.303 6.587 18.320 1.00 1.00 C ATOM 566 CD GLU A 39 -4.741 7.947 17.772 1.00 1.00 C ATOM 567 OE1 GLU A 39 -5.422 8.709 18.476 1.00 1.00 O ATOM 568 OE2 GLU A 39 -4.351 8.203 16.570 1.00 1.00 O ATOM 0 H GLU A 39 -2.798 4.944 16.585 1.00 1.00 H new ATOM 0 HA GLU A 39 -4.040 3.804 18.138 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -6.055 5.898 17.268 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -5.864 5.203 18.866 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -4.188 6.647 19.402 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -3.328 6.323 17.910 1.00 1.00 H new ATOM 576 N GLY A 40 -6.910 3.515 17.198 1.00 1.00 N ATOM 577 CA GLY A 40 -7.990 2.637 16.784 1.00 1.00 C ATOM 578 C GLY A 40 -8.954 3.360 15.840 1.00 1.00 C ATOM 579 O GLY A 40 -10.078 3.681 16.221 1.00 1.00 O ATOM 0 H GLY A 40 -7.201 4.309 17.768 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -7.579 1.759 16.287 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -8.532 2.282 17.661 1.00 1.00 H new ATOM 583 N PHE A 41 -8.476 3.596 14.627 1.00 1.00 N ATOM 584 CA PHE A 41 -9.280 4.276 13.626 1.00 1.00 C ATOM 585 C PHE A 41 -10.748 3.858 13.726 1.00 1.00 C ATOM 586 O PHE A 41 -11.055 2.760 14.187 1.00 1.00 O ATOM 587 CB PHE A 41 -8.737 3.860 12.257 1.00 1.00 C ATOM 588 CG PHE A 41 -9.494 4.466 11.075 1.00 1.00 C ATOM 589 CD1 PHE A 41 -10.784 4.102 10.836 1.00 1.00 C ATOM 590 CD2 PHE A 41 -8.881 5.369 10.264 1.00 1.00 C ATOM 591 CE1 PHE A 41 -11.488 4.666 9.738 1.00 1.00 C ATOM 592 CE2 PHE A 41 -9.585 5.932 9.168 1.00 1.00 C ATOM 593 CZ PHE A 41 -10.874 5.568 8.928 1.00 1.00 C ATOM 0 H PHE A 41 -7.542 3.329 14.315 1.00 1.00 H new ATOM 0 HA PHE A 41 -9.225 5.354 13.775 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -7.688 4.150 12.190 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -8.773 2.773 12.179 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -11.272 3.385 11.480 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -7.858 5.658 10.454 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -12.511 4.378 9.547 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -9.098 6.649 8.524 1.00 1.00 H new ATOM 0 HZ PHE A 41 -11.409 5.996 8.093 1.00 1.00 H new ATOM 603 N GLY A 42 -11.617 4.757 13.287 1.00 1.00 N ATOM 604 CA GLY A 42 -13.046 4.496 13.322 1.00 1.00 C ATOM 605 C GLY A 42 -13.762 5.209 12.173 1.00 1.00 C ATOM 606 O GLY A 42 -13.231 6.160 11.601 1.00 1.00 O ATOM 0 H GLY A 42 -11.359 5.667 12.905 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -13.225 3.423 13.257 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -13.457 4.830 14.275 1.00 1.00 H new ATOM 610 N LYS A 43 -14.956 4.723 11.870 1.00 1.00 N ATOM 611 CA LYS A 43 -15.750 5.303 10.799 1.00 1.00 C ATOM 612 C LYS A 43 -16.062 6.763 11.134 1.00 1.00 C ATOM 613 O LYS A 43 -15.711 7.664 10.375 1.00 1.00 O ATOM 614 CB LYS A 43 -16.996 4.453 10.537 1.00 1.00 C ATOM 615 CG LYS A 43 -16.805 3.567 9.304 1.00 1.00 C ATOM 616 CD LYS A 43 -16.447 2.135 9.709 1.00 1.00 C ATOM 617 CE LYS A 43 -15.002 2.050 10.204 1.00 1.00 C ATOM 618 NZ LYS A 43 -14.928 1.253 11.449 1.00 1.00 N ATOM 0 H LYS A 43 -15.393 3.934 12.347 1.00 1.00 H new ATOM 0 HA LYS A 43 -15.188 5.303 9.865 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -17.206 3.831 11.407 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -17.860 5.102 10.393 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -17.718 3.563 8.709 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -16.016 3.979 8.674 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -17.124 1.795 10.493 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -16.583 1.468 8.858 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -14.374 1.597 9.437 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -14.613 3.052 10.383 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -13.941 1.205 11.772 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -15.511 1.702 12.184 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -15.280 0.291 11.267 1.00 1.00 H new ATOM 631 N GLU A 44 -16.716 6.950 12.271 1.00 1.00 N ATOM 632 CA GLU A 44 -17.078 8.285 12.715 1.00 1.00 C ATOM 633 C GLU A 44 -15.945 9.269 12.415 1.00 1.00 C ATOM 634 O GLU A 44 -16.196 10.427 12.086 1.00 1.00 O ATOM 635 CB GLU A 44 -17.430 8.290 14.204 1.00 1.00 C ATOM 636 CG GLU A 44 -16.169 8.380 15.066 1.00 1.00 C ATOM 637 CD GLU A 44 -15.348 7.093 14.969 1.00 1.00 C ATOM 638 OE1 GLU A 44 -14.160 7.141 14.613 1.00 1.00 O ATOM 639 OE2 GLU A 44 -15.983 6.015 15.281 1.00 1.00 O ATOM 0 H GLU A 44 -17.005 6.199 12.898 1.00 1.00 H new ATOM 0 HA GLU A 44 -17.964 8.603 12.165 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -18.086 9.133 14.423 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -17.982 7.384 14.454 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -15.564 9.227 14.744 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -16.446 8.562 16.104 1.00 1.00 H new ATOM 647 N MET A 45 -14.724 8.772 12.541 1.00 1.00 N ATOM 648 CA MET A 45 -13.552 9.593 12.289 1.00 1.00 C ATOM 649 C MET A 45 -13.368 9.838 10.790 1.00 1.00 C ATOM 650 O MET A 45 -13.106 10.965 10.369 1.00 1.00 O ATOM 651 CB MET A 45 -12.309 8.897 12.849 1.00 1.00 C ATOM 652 CG MET A 45 -11.624 9.764 13.906 1.00 1.00 C ATOM 653 SD MET A 45 -12.148 9.266 15.538 1.00 1.00 S ATOM 654 CE MET A 45 -11.424 10.577 16.510 1.00 1.00 C ATOM 0 H MET A 45 -14.520 7.811 12.814 1.00 1.00 H new ATOM 0 HA MET A 45 -13.693 10.555 12.782 1.00 1.00 H new ATOM 0 HB2 MET A 45 -12.590 7.939 13.286 1.00 1.00 H new ATOM 0 HB3 MET A 45 -11.611 8.685 12.039 1.00 1.00 H new ATOM 0 HG2 MET A 45 -10.541 9.671 13.819 1.00 1.00 H new ATOM 0 HG3 MET A 45 -11.868 10.813 13.741 1.00 1.00 H new ATOM 0 HE1 MET A 45 -11.656 10.420 17.563 1.00 1.00 H new ATOM 0 HE2 MET A 45 -10.343 10.577 16.373 1.00 1.00 H new ATOM 0 HE3 MET A 45 -11.830 11.536 16.188 1.00 1.00 H new ATOM 664 N ALA A 46 -13.511 8.766 10.025 1.00 1.00 N ATOM 665 CA ALA A 46 -13.363 8.852 8.582 1.00 1.00 C ATOM 666 C ALA A 46 -14.204 10.017 8.055 1.00 1.00 C ATOM 667 O ALA A 46 -13.670 11.010 7.567 1.00 1.00 O ATOM 668 CB ALA A 46 -13.757 7.516 7.948 1.00 1.00 C ATOM 0 H ALA A 46 -13.728 7.833 10.377 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.325 9.047 8.314 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -13.646 7.580 6.866 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -13.112 6.726 8.333 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -14.794 7.289 8.194 1.00 1.00 H new ATOM 674 N HIS A 47 -15.523 9.858 8.172 1.00 1.00 N ATOM 675 CA HIS A 47 -16.483 10.861 7.727 1.00 1.00 C ATOM 676 C HIS A 47 -16.270 12.170 8.508 1.00 1.00 C ATOM 677 O HIS A 47 -16.796 13.213 8.124 1.00 1.00 O ATOM 678 CB HIS A 47 -17.900 10.279 7.845 1.00 1.00 C ATOM 679 CG HIS A 47 -18.117 8.899 7.271 1.00 1.00 C ATOM 680 ND1 HIS A 47 -18.668 7.905 7.973 1.00 1.00 N ATOM 681 CD2 HIS A 47 -17.838 8.379 6.029 1.00 1.00 C ATOM 682 CE1 HIS A 47 -18.730 6.809 7.202 1.00 1.00 C ATOM 683 NE2 HIS A 47 -18.230 7.046 5.990 1.00 1.00 N ATOM 0 H HIS A 47 -15.953 9.028 8.579 1.00 1.00 H new ATOM 0 HA HIS A 47 -16.335 11.116 6.678 1.00 1.00 H new ATOM 0 HB2 HIS A 47 -18.171 10.255 8.901 1.00 1.00 H new ATOM 0 HB3 HIS A 47 -18.591 10.964 7.354 1.00 1.00 H new ATOM 0 HD2 HIS A 47 -17.385 8.921 5.212 1.00 1.00 H new ATOM 0 HE1 HIS A 47 -19.132 5.859 7.522 1.00 1.00 H new ATOM 0 HE2 HIS A 47 -18.152 6.395 5.209 1.00 1.00 H new ATOM 691 N GLY A 48 -15.500 12.070 9.583 1.00 1.00 N ATOM 692 CA GLY A 48 -15.215 13.230 10.410 1.00 1.00 C ATOM 693 C GLY A 48 -14.143 14.112 9.767 1.00 1.00 C ATOM 694 O GLY A 48 -14.185 14.371 8.565 1.00 1.00 O ATOM 0 H GLY A 48 -15.065 11.203 9.900 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -16.127 13.809 10.557 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -14.881 12.905 11.395 1.00 1.00 H new ATOM 698 N LYS A 49 -13.208 14.551 10.596 1.00 1.00 N ATOM 699 CA LYS A 49 -12.126 15.399 10.123 1.00 1.00 C ATOM 700 C LYS A 49 -10.851 14.565 9.991 1.00 1.00 C ATOM 701 O LYS A 49 -9.795 14.956 10.486 1.00 1.00 O ATOM 702 CB LYS A 49 -11.970 16.622 11.029 1.00 1.00 C ATOM 703 CG LYS A 49 -12.443 17.893 10.321 1.00 1.00 C ATOM 704 CD LYS A 49 -11.349 18.963 10.324 1.00 1.00 C ATOM 705 CE LYS A 49 -11.214 19.604 11.706 1.00 1.00 C ATOM 706 NZ LYS A 49 -11.253 21.080 11.598 1.00 1.00 N ATOM 0 H LYS A 49 -13.177 14.336 11.593 1.00 1.00 H new ATOM 0 HA LYS A 49 -12.354 15.792 9.132 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -12.544 16.476 11.944 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -10.926 16.732 11.321 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -12.724 17.658 9.294 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -13.335 18.278 10.815 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -10.398 18.517 10.031 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -11.583 19.729 9.585 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -12.020 19.259 12.354 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -10.278 19.292 12.169 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -11.160 21.500 12.545 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -10.469 21.405 10.997 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -12.157 21.373 11.176 1.00 1.00 H new ATOM 719 N GLY A 50 -10.990 13.431 9.320 1.00 1.00 N ATOM 720 CA GLY A 50 -9.862 12.539 9.117 1.00 1.00 C ATOM 721 C GLY A 50 -10.055 11.689 7.859 1.00 1.00 C ATOM 722 O GLY A 50 -9.598 10.549 7.799 1.00 1.00 O ATOM 0 H GLY A 50 -11.867 13.110 8.910 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -8.945 13.121 9.030 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -9.746 11.890 9.985 1.00 1.00 H new ATOM 726 N CYS A 51 -10.732 12.279 6.884 1.00 1.00 N ATOM 727 CA CYS A 51 -10.991 11.591 5.631 1.00 1.00 C ATOM 728 C CYS A 51 -11.830 12.511 4.742 1.00 1.00 C ATOM 729 O CYS A 51 -11.340 13.032 3.742 1.00 1.00 O ATOM 730 CB CYS A 51 -11.670 10.239 5.857 1.00 1.00 C ATOM 731 SG CYS A 51 -11.116 8.903 4.736 1.00 1.00 S ATOM 0 H CYS A 51 -11.109 13.225 6.937 1.00 1.00 H new ATOM 0 HA CYS A 51 -10.047 11.369 5.133 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -11.493 9.927 6.886 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -12.747 10.366 5.744 1.00 1.00 H new ATOM 0 HG CYS A 51 -11.754 7.806 5.019 1.00 1.00 H new ATOM 736 N LYS A 52 -13.082 12.682 5.140 1.00 1.00 N ATOM 737 CA LYS A 52 -13.995 13.530 4.393 1.00 1.00 C ATOM 738 C LYS A 52 -13.853 14.975 4.875 1.00 1.00 C ATOM 739 O LYS A 52 -13.583 15.875 4.080 1.00 1.00 O ATOM 740 CB LYS A 52 -15.424 12.990 4.482 1.00 1.00 C ATOM 741 CG LYS A 52 -16.255 13.433 3.276 1.00 1.00 C ATOM 742 CD LYS A 52 -17.686 12.901 3.371 1.00 1.00 C ATOM 743 CE LYS A 52 -18.670 13.850 2.684 1.00 1.00 C ATOM 744 NZ LYS A 52 -20.056 13.565 3.122 1.00 1.00 N ATOM 0 H LYS A 52 -13.486 12.248 5.970 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.741 13.521 3.333 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -15.402 11.901 4.533 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -15.893 13.343 5.400 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -16.271 14.521 3.221 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -15.790 13.074 2.358 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -17.743 11.915 2.909 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -17.964 12.779 4.418 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -18.413 14.883 2.919 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -18.594 13.741 1.602 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -20.711 14.218 2.647 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -20.303 12.585 2.876 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -20.128 13.692 4.152 1.00 1.00 H new ATOM 757 N GLY A 53 -14.041 15.153 6.174 1.00 1.00 N ATOM 758 CA GLY A 53 -13.937 16.473 6.771 1.00 1.00 C ATOM 759 C GLY A 53 -12.841 17.297 6.093 1.00 1.00 C ATOM 760 O GLY A 53 -13.093 18.406 5.624 1.00 1.00 O ATOM 0 H GLY A 53 -14.265 14.405 6.830 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -14.892 16.991 6.685 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -13.720 16.379 7.835 1.00 1.00 H new ATOM 764 N CYS A 54 -11.647 16.723 6.063 1.00 1.00 N ATOM 765 CA CYS A 54 -10.510 17.390 5.451 1.00 1.00 C ATOM 766 C CYS A 54 -10.967 17.988 4.117 1.00 1.00 C ATOM 767 O CYS A 54 -10.973 19.204 3.942 1.00 1.00 O ATOM 768 CB CYS A 54 -9.324 16.441 5.274 1.00 1.00 C ATOM 769 SG CYS A 54 -7.815 17.186 5.994 1.00 1.00 S ATOM 0 H CYS A 54 -11.442 15.803 6.453 1.00 1.00 H new ATOM 0 HA CYS A 54 -10.157 18.187 6.105 1.00 1.00 H new ATOM 0 HB2 CYS A 54 -9.535 15.487 5.758 1.00 1.00 H new ATOM 0 HB3 CYS A 54 -9.168 16.234 4.215 1.00 1.00 H new ATOM 0 HG CYS A 54 -6.813 16.372 5.841 1.00 1.00 H new ATOM 774 N HIS A 55 -11.341 17.096 3.200 1.00 1.00 N ATOM 775 CA HIS A 55 -11.805 17.476 1.870 1.00 1.00 C ATOM 776 C HIS A 55 -12.820 18.628 1.983 1.00 1.00 C ATOM 777 O HIS A 55 -12.744 19.595 1.226 1.00 1.00 O ATOM 778 CB HIS A 55 -12.344 16.227 1.156 1.00 1.00 C ATOM 779 CG HIS A 55 -11.407 15.047 1.052 1.00 1.00 C ATOM 780 ND1 HIS A 55 -11.838 13.782 1.073 1.00 1.00 N ATOM 781 CD2 HIS A 55 -10.039 14.982 0.927 1.00 1.00 C ATOM 782 CE1 HIS A 55 -10.782 12.961 0.964 1.00 1.00 C ATOM 783 NE2 HIS A 55 -9.646 13.651 0.870 1.00 1.00 N ATOM 0 H HIS A 55 -11.330 16.089 3.361 1.00 1.00 H new ATOM 0 HA HIS A 55 -10.989 17.859 1.257 1.00 1.00 H new ATOM 0 HB2 HIS A 55 -13.245 15.901 1.675 1.00 1.00 H new ATOM 0 HB3 HIS A 55 -12.643 16.514 0.148 1.00 1.00 H new ATOM 0 HD1 HIS A 55 -12.811 13.488 1.158 1.00 1.00 H new ATOM 0 HD2 HIS A 55 -9.375 15.832 0.880 1.00 1.00 H new ATOM 0 HE1 HIS A 55 -10.845 11.883 0.954 1.00 1.00 H new ATOM 791 N GLU A 56 -13.737 18.486 2.928 1.00 1.00 N ATOM 792 CA GLU A 56 -14.754 19.501 3.144 1.00 1.00 C ATOM 793 C GLU A 56 -14.109 20.812 3.595 1.00 1.00 C ATOM 794 O GLU A 56 -14.668 21.888 3.387 1.00 1.00 O ATOM 795 CB GLU A 56 -15.798 19.026 4.156 1.00 1.00 C ATOM 796 CG GLU A 56 -16.778 20.148 4.501 1.00 1.00 C ATOM 797 CD GLU A 56 -16.607 20.598 5.954 1.00 1.00 C ATOM 798 OE1 GLU A 56 -16.169 21.730 6.205 1.00 1.00 O ATOM 799 OE2 GLU A 56 -16.951 19.724 6.839 1.00 1.00 O ATOM 0 H GLU A 56 -13.797 17.683 3.554 1.00 1.00 H new ATOM 0 HA GLU A 56 -15.268 19.678 2.199 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -16.343 18.175 3.749 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -15.300 18.682 5.063 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -16.617 20.994 3.833 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -17.800 19.805 4.341 1.00 1.00 H new ATOM 807 N GLU A 57 -12.939 20.680 4.205 1.00 1.00 N ATOM 808 CA GLU A 57 -12.212 21.841 4.688 1.00 1.00 C ATOM 809 C GLU A 57 -11.227 22.331 3.624 1.00 1.00 C ATOM 810 O GLU A 57 -11.319 23.469 3.165 1.00 1.00 O ATOM 811 CB GLU A 57 -11.491 21.529 6.001 1.00 1.00 C ATOM 812 CG GLU A 57 -11.357 22.785 6.865 1.00 1.00 C ATOM 813 CD GLU A 57 -12.384 22.782 8.000 1.00 1.00 C ATOM 814 OE1 GLU A 57 -12.877 21.712 8.386 1.00 1.00 O ATOM 815 OE2 GLU A 57 -12.665 23.944 8.483 1.00 1.00 O ATOM 0 H GLU A 57 -12.477 19.787 4.375 1.00 1.00 H new ATOM 0 HA GLU A 57 -12.929 22.638 4.886 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -12.041 20.763 6.549 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -10.502 21.122 5.789 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -10.351 22.839 7.280 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -11.495 23.672 6.247 1.00 1.00 H new ATOM 823 N MET A 58 -10.309 21.448 3.263 1.00 1.00 N ATOM 824 CA MET A 58 -9.308 21.776 2.262 1.00 1.00 C ATOM 825 C MET A 58 -9.966 22.220 0.954 1.00 1.00 C ATOM 826 O MET A 58 -9.323 22.845 0.111 1.00 1.00 O ATOM 827 CB MET A 58 -8.427 20.553 2.000 1.00 1.00 C ATOM 828 CG MET A 58 -6.957 20.956 1.859 1.00 1.00 C ATOM 829 SD MET A 58 -6.270 21.327 3.463 1.00 1.00 S ATOM 830 CE MET A 58 -5.148 19.951 3.647 1.00 1.00 C ATOM 0 H MET A 58 -10.237 20.505 3.646 1.00 1.00 H new ATOM 0 HA MET A 58 -8.700 22.598 2.639 1.00 1.00 H new ATOM 0 HB2 MET A 58 -8.536 19.840 2.818 1.00 1.00 H new ATOM 0 HB3 MET A 58 -8.758 20.049 1.092 1.00 1.00 H new ATOM 0 HG2 MET A 58 -6.393 20.149 1.391 1.00 1.00 H new ATOM 0 HG3 MET A 58 -6.871 21.825 1.207 1.00 1.00 H new ATOM 0 HE1 MET A 58 -4.632 20.028 4.604 1.00 1.00 H new ATOM 0 HE2 MET A 58 -5.709 19.017 3.611 1.00 1.00 H new ATOM 0 HE3 MET A 58 -4.417 19.967 2.838 1.00 1.00 H new ATOM 840 N LYS A 59 -11.241 21.881 0.824 1.00 1.00 N ATOM 841 CA LYS A 59 -11.993 22.237 -0.366 1.00 1.00 C ATOM 842 C LYS A 59 -11.432 21.471 -1.566 1.00 1.00 C ATOM 843 O LYS A 59 -11.788 21.755 -2.709 1.00 1.00 O ATOM 844 CB LYS A 59 -12.006 23.755 -0.558 1.00 1.00 C ATOM 845 CG LYS A 59 -13.432 24.268 -0.772 1.00 1.00 C ATOM 846 CD LYS A 59 -13.607 24.823 -2.187 1.00 1.00 C ATOM 847 CE LYS A 59 -13.574 26.353 -2.183 1.00 1.00 C ATOM 848 NZ LYS A 59 -13.656 26.876 -3.565 1.00 1.00 N ATOM 0 H LYS A 59 -11.772 21.363 1.524 1.00 1.00 H new ATOM 0 HA LYS A 59 -13.037 21.943 -0.259 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -11.569 24.239 0.315 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -11.387 24.022 -1.415 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -14.143 23.459 -0.604 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -13.656 25.046 -0.042 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -12.816 24.440 -2.832 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -14.553 24.477 -2.603 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -14.404 26.739 -1.592 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -12.656 26.702 -1.710 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -13.632 27.916 -3.545 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -12.850 26.522 -4.119 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -14.544 26.558 -4.004 1.00 1.00 H new ATOM 861 N LYS A 60 -10.567 20.514 -1.265 1.00 1.00 N ATOM 862 CA LYS A 60 -9.954 19.705 -2.305 1.00 1.00 C ATOM 863 C LYS A 60 -10.138 18.224 -1.967 1.00 1.00 C ATOM 864 O LYS A 60 -9.882 17.804 -0.840 1.00 1.00 O ATOM 865 CB LYS A 60 -8.493 20.111 -2.510 1.00 1.00 C ATOM 866 CG LYS A 60 -7.789 20.322 -1.168 1.00 1.00 C ATOM 867 CD LYS A 60 -6.361 20.830 -1.373 1.00 1.00 C ATOM 868 CE LYS A 60 -6.357 22.304 -1.783 1.00 1.00 C ATOM 869 NZ LYS A 60 -6.397 22.432 -3.257 1.00 1.00 N ATOM 0 H LYS A 60 -10.276 20.280 -0.316 1.00 1.00 H new ATOM 0 HA LYS A 60 -10.446 19.879 -3.262 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -7.974 19.340 -3.080 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.446 21.028 -3.098 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.351 21.037 -0.567 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -7.769 19.385 -0.612 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -5.791 20.703 -0.453 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -5.866 20.234 -2.140 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -7.216 22.812 -1.345 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -5.464 22.793 -1.394 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -5.658 23.095 -3.568 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -6.232 21.501 -3.691 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -7.329 22.790 -3.549 1.00 1.00 H new ATOM 882 N GLY A 61 -10.580 17.472 -2.965 1.00 1.00 N ATOM 883 CA GLY A 61 -10.801 16.047 -2.788 1.00 1.00 C ATOM 884 C GLY A 61 -12.266 15.684 -3.040 1.00 1.00 C ATOM 885 O GLY A 61 -13.132 16.540 -3.203 1.00 1.00 O ATOM 0 H GLY A 61 -10.791 17.823 -3.899 1.00 1.00 H new ATOM 0 HA2 GLY A 61 -10.161 15.489 -3.472 1.00 1.00 H new ATOM 0 HA3 GLY A 61 -10.519 15.754 -1.777 1.00 1.00 H new ATOM 889 N PRO A 62 -12.526 14.376 -3.070 1.00 1.00 N ATOM 890 CA PRO A 62 -13.839 13.809 -3.292 1.00 1.00 C ATOM 891 C PRO A 62 -14.572 13.684 -1.964 1.00 1.00 C ATOM 892 O PRO A 62 -13.928 13.399 -0.955 1.00 1.00 O ATOM 893 CB PRO A 62 -13.575 12.434 -3.903 1.00 1.00 C ATOM 894 CG PRO A 62 -12.226 12.047 -3.300 1.00 1.00 C ATOM 895 CD PRO A 62 -11.532 13.341 -2.882 1.00 1.00 C ATOM 0 HA PRO A 62 -14.461 14.423 -3.943 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -14.355 11.719 -3.641 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -13.534 12.476 -4.991 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -12.362 11.389 -2.442 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -11.622 11.503 -4.026 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -11.202 13.294 -1.844 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -10.647 13.529 -3.490 1.00 1.00 H new ATOM 903 N THR A 63 -15.879 13.896 -1.984 1.00 1.00 N ATOM 904 CA THR A 63 -16.672 13.803 -0.771 1.00 1.00 C ATOM 905 C THR A 63 -17.771 12.749 -0.930 1.00 1.00 C ATOM 906 O THR A 63 -18.145 12.087 0.036 1.00 1.00 O ATOM 907 CB THR A 63 -17.210 15.198 -0.448 1.00 1.00 C ATOM 908 OG1 THR A 63 -17.813 15.626 -1.666 1.00 1.00 O ATOM 909 CG2 THR A 63 -16.093 16.215 -0.208 1.00 1.00 C ATOM 0 H THR A 63 -16.409 14.132 -2.823 1.00 1.00 H new ATOM 0 HA THR A 63 -16.066 13.470 0.072 1.00 1.00 H new ATOM 0 HB THR A 63 -17.849 15.146 0.434 1.00 1.00 H new ATOM 0 HG1 THR A 63 -18.190 16.523 -1.547 1.00 1.00 H new ATOM 0 HG21 THR A 63 -16.529 17.188 0.017 1.00 1.00 H new ATOM 0 HG22 THR A 63 -15.479 15.890 0.632 1.00 1.00 H new ATOM 0 HG23 THR A 63 -15.474 16.293 -1.102 1.00 1.00 H new ATOM 915 N LYS A 64 -18.256 12.628 -2.157 1.00 1.00 N ATOM 916 CA LYS A 64 -19.304 11.667 -2.456 1.00 1.00 C ATOM 917 C LYS A 64 -18.877 10.284 -1.961 1.00 1.00 C ATOM 918 O LYS A 64 -17.686 9.991 -1.878 1.00 1.00 O ATOM 919 CB LYS A 64 -19.659 11.707 -3.944 1.00 1.00 C ATOM 920 CG LYS A 64 -20.395 13.000 -4.298 1.00 1.00 C ATOM 921 CD LYS A 64 -21.811 12.706 -4.796 1.00 1.00 C ATOM 922 CE LYS A 64 -22.037 13.303 -6.187 1.00 1.00 C ATOM 923 NZ LYS A 64 -22.153 12.229 -7.199 1.00 1.00 N ATOM 0 H LYS A 64 -17.943 13.180 -2.956 1.00 1.00 H new ATOM 0 HA LYS A 64 -20.221 11.926 -1.927 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -18.750 11.627 -4.540 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -20.282 10.849 -4.196 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -20.441 13.648 -3.423 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -19.840 13.540 -5.066 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -21.973 11.629 -4.828 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -22.539 13.117 -4.097 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -22.943 13.909 -6.186 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -21.210 13.965 -6.444 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -22.306 12.651 -8.137 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -21.278 11.667 -7.211 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -22.957 11.613 -6.961 1.00 1.00 H new ATOM 936 N CYS A 65 -19.874 9.470 -1.646 1.00 1.00 N ATOM 937 CA CYS A 65 -19.617 8.124 -1.162 1.00 1.00 C ATOM 938 C CYS A 65 -19.017 7.308 -2.309 1.00 1.00 C ATOM 939 O CYS A 65 -17.901 6.802 -2.198 1.00 1.00 O ATOM 940 CB CYS A 65 -20.882 7.474 -0.600 1.00 1.00 C ATOM 941 SG CYS A 65 -22.169 8.651 -0.044 1.00 1.00 S ATOM 0 H CYS A 65 -20.861 9.717 -1.716 1.00 1.00 H new ATOM 0 HA CYS A 65 -18.909 8.161 -0.334 1.00 1.00 H new ATOM 0 HB2 CYS A 65 -21.310 6.824 -1.364 1.00 1.00 H new ATOM 0 HB3 CYS A 65 -20.604 6.838 0.240 1.00 1.00 H new ATOM 0 HG CYS A 65 -23.193 7.992 0.410 1.00 1.00 H new ATOM 946 N GLY A 66 -19.784 7.206 -3.384 1.00 1.00 N ATOM 947 CA GLY A 66 -19.342 6.459 -4.550 1.00 1.00 C ATOM 948 C GLY A 66 -17.886 6.784 -4.889 1.00 1.00 C ATOM 949 O GLY A 66 -17.196 5.979 -5.514 1.00 1.00 O ATOM 0 H GLY A 66 -20.708 7.628 -3.473 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -19.446 5.390 -4.363 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -19.979 6.697 -5.402 1.00 1.00 H new ATOM 953 N GLU A 67 -17.461 7.964 -4.462 1.00 1.00 N ATOM 954 CA GLU A 67 -16.099 8.404 -4.712 1.00 1.00 C ATOM 955 C GLU A 67 -15.127 7.682 -3.777 1.00 1.00 C ATOM 956 O GLU A 67 -13.991 7.401 -4.154 1.00 1.00 O ATOM 957 CB GLU A 67 -15.978 9.922 -4.564 1.00 1.00 C ATOM 958 CG GLU A 67 -16.801 10.645 -5.631 1.00 1.00 C ATOM 959 CD GLU A 67 -16.104 10.589 -6.992 1.00 1.00 C ATOM 960 OE1 GLU A 67 -15.409 9.607 -7.293 1.00 1.00 O ATOM 961 OE2 GLU A 67 -16.305 11.613 -7.750 1.00 1.00 O ATOM 0 H GLU A 67 -18.036 8.629 -3.944 1.00 1.00 H new ATOM 0 HA GLU A 67 -15.839 8.150 -5.740 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -16.317 10.222 -3.573 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -14.932 10.216 -4.645 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -17.788 10.189 -5.705 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -16.951 11.684 -5.338 1.00 1.00 H new ATOM 969 N CYS A 68 -15.610 7.402 -2.575 1.00 1.00 N ATOM 970 CA CYS A 68 -14.797 6.719 -1.583 1.00 1.00 C ATOM 971 C CYS A 68 -15.153 5.231 -1.615 1.00 1.00 C ATOM 972 O CYS A 68 -14.277 4.376 -1.728 1.00 1.00 O ATOM 973 CB CYS A 68 -14.983 7.320 -0.188 1.00 1.00 C ATOM 974 SG CYS A 68 -13.635 8.505 0.167 1.00 1.00 S ATOM 0 H CYS A 68 -16.554 7.636 -2.266 1.00 1.00 H new ATOM 0 HA CYS A 68 -13.741 6.846 -1.823 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -15.947 7.824 -0.126 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -14.989 6.528 0.561 1.00 1.00 H new ATOM 0 HG CYS A 68 -13.803 9.011 1.352 1.00 1.00 H new ATOM 979 N HIS A 69 -16.454 4.960 -1.511 1.00 1.00 N ATOM 980 CA HIS A 69 -16.983 3.600 -1.523 1.00 1.00 C ATOM 981 C HIS A 69 -17.253 3.159 -2.973 1.00 1.00 C ATOM 982 O HIS A 69 -17.966 3.844 -3.705 1.00 1.00 O ATOM 983 CB HIS A 69 -18.211 3.537 -0.603 1.00 1.00 C ATOM 984 CG HIS A 69 -17.976 3.807 0.865 1.00 1.00 C ATOM 985 ND1 HIS A 69 -17.351 2.939 1.665 1.00 1.00 N ATOM 986 CD2 HIS A 69 -18.306 4.884 1.653 1.00 1.00 C ATOM 987 CE1 HIS A 69 -17.293 3.453 2.903 1.00 1.00 C ATOM 988 NE2 HIS A 69 -17.868 4.654 2.952 1.00 1.00 N ATOM 0 H HIS A 69 -17.170 5.680 -1.416 1.00 1.00 H new ATOM 0 HA HIS A 69 -16.260 2.886 -1.128 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -18.946 4.255 -0.967 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -18.657 2.547 -0.699 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -16.978 2.033 1.381 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -18.824 5.770 1.316 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -16.840 2.958 3.749 1.00 1.00 H new ATOM 996 N LYS A 70 -16.674 2.025 -3.338 1.00 1.00 N ATOM 997 CA LYS A 70 -16.846 1.493 -4.679 1.00 1.00 C ATOM 998 C LYS A 70 -16.924 -0.034 -4.611 1.00 1.00 C ATOM 999 O LYS A 70 -16.403 -0.644 -3.679 1.00 1.00 O ATOM 1000 CB LYS A 70 -15.748 2.013 -5.607 1.00 1.00 C ATOM 1001 CG LYS A 70 -15.615 1.128 -6.849 1.00 1.00 C ATOM 1002 CD LYS A 70 -14.748 1.803 -7.913 1.00 1.00 C ATOM 1003 CE LYS A 70 -15.577 2.161 -9.149 1.00 1.00 C ATOM 1004 NZ LYS A 70 -14.735 2.127 -10.365 1.00 1.00 N ATOM 0 H LYS A 70 -16.084 1.459 -2.728 1.00 1.00 H new ATOM 0 HA LYS A 70 -17.785 1.841 -5.110 1.00 1.00 H new ATOM 0 HB2 LYS A 70 -15.975 3.036 -5.908 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -14.798 2.041 -5.073 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -15.176 0.170 -6.572 1.00 1.00 H new ATOM 0 HG3 LYS A 70 -16.603 0.919 -7.259 1.00 1.00 H new ATOM 0 HD2 LYS A 70 -14.296 2.705 -7.500 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -13.932 1.139 -8.198 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -16.406 1.461 -9.254 1.00 1.00 H new ATOM 0 HE3 LYS A 70 -16.011 3.153 -9.028 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 -15.313 2.372 -11.194 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 -13.959 2.812 -10.269 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 -14.341 1.172 -10.488 1.00 1.00 H new ATOM 1017 N LYS A 71 -17.578 -0.606 -5.611 1.00 1.00 N ATOM 1018 CA LYS A 71 -17.730 -2.049 -5.677 1.00 1.00 C ATOM 1019 C LYS A 71 -17.121 -2.563 -6.983 1.00 1.00 C ATOM 1020 O LYS A 71 -16.175 -1.974 -7.504 1.00 1.00 O ATOM 1021 CB LYS A 71 -19.196 -2.443 -5.486 1.00 1.00 C ATOM 1022 CG LYS A 71 -19.340 -3.513 -4.403 1.00 1.00 C ATOM 1023 CD LYS A 71 -19.587 -4.890 -5.022 1.00 1.00 C ATOM 1024 CE LYS A 71 -19.010 -5.999 -4.140 1.00 1.00 C ATOM 1025 NZ LYS A 71 -19.788 -7.248 -4.302 1.00 1.00 N ATOM 0 H LYS A 71 -18.009 -0.096 -6.382 1.00 1.00 H new ATOM 0 HA LYS A 71 -17.187 -2.526 -4.862 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -19.780 -1.564 -5.213 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -19.601 -2.816 -6.427 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -18.437 -3.541 -3.793 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -20.166 -3.255 -3.740 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -20.658 -5.046 -5.155 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -19.133 -4.934 -6.012 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -17.967 -6.176 -4.404 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -19.026 -5.687 -3.096 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -19.383 -7.990 -3.696 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -20.777 -7.079 -4.028 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -19.751 -7.553 -5.295 1.00 1.00 H new