USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 572 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 NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 46 CYS SG : rot -155:sc= -1.17 USER MOD Set 1.2: A 49 CYS SG : rot 165:sc= -0.375! USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0555 (180deg=-0.318) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.25 (180deg=0.604) USER MOD Single : A 3 HIS : no HD1:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 5 HIS : no HE2:sc= 0.324 K(o=0.32,f=-1.3) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 7 HIS : no HD1:sc= -0.0924 X(o=-0.092,f=-0.092) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.63 K(o=-0.63,f=-1.8!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -34:sc= 0.0311 USER MOD Single : A 21 CYS SG : rot 180:sc= -0.361 USER MOD Single : A 23 MET CE :methyl -165:sc= -0.0827 (180deg=-0.41) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.297 USER MOD Single : A 29 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.59) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0302) USER MOD Single : A 37 SER OG : rot 76:sc= 1.05 USER MOD Single : A 38 HIS : no HD1:sc=-0.00564 X(o=-0.0056,f=-0.0037) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.0194 X(o=-0.019,f=-0.29) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 48 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -38:sc= 0.00818 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0.048) USER MOD Single : A 56 LYS NZ :NH3+ 171:sc= -0.0108 (180deg=-0.109) USER MOD Single : A 58 ASN : amide:sc= -1.67! X(o=-1.7!,f=-1.2) USER MOD Single : A 64 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00208) USER MOD Single : A 67 SER OG : rot -5:sc= 0.648 USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= 1.14 (180deg=0.91) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.025 -63.244 73.196 1.00 13.12 N ATOM 2 CA MET A 1 12.028 -62.917 71.750 1.00 53.45 C ATOM 3 C MET A 1 11.241 -61.626 71.502 1.00 4.34 C ATOM 4 O MET A 1 10.226 -61.376 72.165 1.00 62.43 O ATOM 5 CB MET A 1 11.427 -64.080 70.912 1.00 74.51 C ATOM 6 CG MET A 1 12.234 -65.391 70.956 1.00 40.12 C ATOM 7 SD MET A 1 12.290 -66.147 72.600 1.00 2.01 S ATOM 8 CE MET A 1 10.567 -66.536 72.910 1.00 2.45 C ATOM 0 H1 MET A 1 12.314 -64.234 73.329 1.00 13.12 H new ATOM 0 H2 MET A 1 12.690 -62.619 73.695 1.00 13.12 H new ATOM 0 H3 MET A 1 11.068 -63.108 73.581 1.00 13.12 H new ATOM 0 HA MET A 1 13.062 -62.772 71.436 1.00 53.45 H new ATOM 0 HB2 MET A 1 10.416 -64.280 71.267 1.00 74.51 H new ATOM 0 HB3 MET A 1 11.343 -63.756 69.875 1.00 74.51 H new ATOM 0 HG2 MET A 1 11.798 -66.101 70.253 1.00 40.12 H new ATOM 0 HG3 MET A 1 13.252 -65.194 70.620 1.00 40.12 H new ATOM 0 HE1 MET A 1 10.495 -67.217 73.758 1.00 2.45 H new ATOM 0 HE2 MET A 1 10.021 -65.619 73.133 1.00 2.45 H new ATOM 0 HE3 MET A 1 10.136 -67.009 72.027 1.00 2.45 H new ATOM 20 N GLY A 2 11.714 -60.827 70.534 1.00 25.11 N ATOM 21 CA GLY A 2 11.061 -59.580 70.152 1.00 71.53 C ATOM 22 C GLY A 2 11.847 -58.876 69.060 1.00 74.35 C ATOM 23 O GLY A 2 13.050 -58.644 69.229 1.00 55.35 O ATOM 0 H GLY A 2 12.558 -61.032 69.999 1.00 25.11 H new ATOM 0 HA2 GLY A 2 10.049 -59.785 69.804 1.00 71.53 H new ATOM 0 HA3 GLY A 2 10.973 -58.928 71.021 1.00 71.53 H new ATOM 27 N HIS A 3 11.184 -58.552 67.935 1.00 2.42 N ATOM 28 CA HIS A 3 11.844 -57.900 66.783 1.00 4.21 C ATOM 29 C HIS A 3 10.860 -57.025 65.994 1.00 73.53 C ATOM 30 O HIS A 3 9.635 -57.138 66.147 1.00 20.44 O ATOM 31 CB HIS A 3 12.507 -58.963 65.845 1.00 52.10 C ATOM 32 CG HIS A 3 11.552 -59.904 65.130 1.00 1.43 C ATOM 33 ND1 HIS A 3 11.360 -61.213 65.517 1.00 75.34 N ATOM 34 CD2 HIS A 3 10.782 -59.737 64.022 1.00 61.03 C ATOM 35 CE1 HIS A 3 10.518 -61.797 64.688 1.00 34.40 C ATOM 36 NE2 HIS A 3 10.153 -60.926 63.775 1.00 23.41 N ATOM 0 H HIS A 3 10.189 -58.731 67.797 1.00 2.42 H new ATOM 0 HA HIS A 3 12.626 -57.252 67.177 1.00 4.21 H new ATOM 0 HB2 HIS A 3 13.099 -58.439 65.095 1.00 52.10 H new ATOM 0 HB3 HIS A 3 13.200 -59.561 66.438 1.00 52.10 H new ATOM 0 HD2 HIS A 3 10.685 -58.831 63.443 1.00 61.03 H new ATOM 0 HE1 HIS A 3 10.184 -62.822 64.749 1.00 34.40 H new ATOM 0 HE2 HIS A 3 9.506 -61.107 63.007 1.00 23.41 H new ATOM 45 N HIS A 4 11.425 -56.147 65.159 1.00 54.53 N ATOM 46 CA HIS A 4 10.687 -55.357 64.156 1.00 61.44 C ATOM 47 C HIS A 4 11.173 -55.802 62.757 1.00 72.31 C ATOM 48 O HIS A 4 11.786 -56.869 62.620 1.00 24.54 O ATOM 49 CB HIS A 4 10.924 -53.833 64.382 1.00 60.30 C ATOM 50 CG HIS A 4 10.448 -53.307 65.718 1.00 55.13 C ATOM 51 ND1 HIS A 4 9.422 -52.394 65.856 1.00 0.10 N ATOM 52 CD2 HIS A 4 10.880 -53.564 66.978 1.00 30.35 C ATOM 53 CE1 HIS A 4 9.248 -52.118 67.131 1.00 32.40 C ATOM 54 NE2 HIS A 4 10.119 -52.813 67.829 1.00 72.44 N ATOM 0 H HIS A 4 12.427 -55.959 65.158 1.00 54.53 H new ATOM 0 HA HIS A 4 9.614 -55.528 64.244 1.00 61.44 H new ATOM 0 HB2 HIS A 4 11.990 -53.627 64.286 1.00 60.30 H new ATOM 0 HB3 HIS A 4 10.420 -53.280 63.589 1.00 60.30 H new ATOM 0 HD2 HIS A 4 11.677 -54.237 67.257 1.00 30.35 H new ATOM 0 HE1 HIS A 4 8.514 -51.436 67.535 1.00 32.40 H new ATOM 0 HE2 HIS A 4 10.212 -52.795 68.845 1.00 72.44 H new ATOM 63 N HIS A 5 10.881 -55.000 61.723 1.00 42.51 N ATOM 64 CA HIS A 5 11.444 -55.203 60.374 1.00 24.33 C ATOM 65 C HIS A 5 11.671 -53.843 59.701 1.00 11.23 C ATOM 66 O HIS A 5 11.171 -52.813 60.177 1.00 52.44 O ATOM 67 CB HIS A 5 10.535 -56.122 59.496 1.00 51.41 C ATOM 68 CG HIS A 5 9.248 -55.496 59.022 1.00 62.43 C ATOM 69 ND1 HIS A 5 9.117 -54.908 57.782 1.00 42.25 N ATOM 70 CD2 HIS A 5 8.034 -55.385 59.612 1.00 42.30 C ATOM 71 CE1 HIS A 5 7.889 -54.466 57.635 1.00 53.20 C ATOM 72 NE2 HIS A 5 7.210 -54.743 58.728 1.00 11.23 N ATOM 0 H HIS A 5 10.254 -54.198 61.793 1.00 42.51 H new ATOM 0 HA HIS A 5 12.401 -55.715 60.475 1.00 24.33 H new ATOM 0 HB2 HIS A 5 11.106 -56.443 58.625 1.00 51.41 H new ATOM 0 HB3 HIS A 5 10.294 -57.019 60.067 1.00 51.41 H new ATOM 0 HD1 HIS A 5 9.859 -54.829 57.086 1.00 42.25 H new ATOM 0 HD2 HIS A 5 7.766 -55.738 60.597 1.00 42.30 H new ATOM 0 HE1 HIS A 5 7.501 -53.960 56.763 1.00 53.20 H new ATOM 81 N HIS A 6 12.435 -53.846 58.602 1.00 54.24 N ATOM 82 CA HIS A 6 12.732 -52.632 57.822 1.00 54.24 C ATOM 83 C HIS A 6 11.545 -52.270 56.908 1.00 3.33 C ATOM 84 O HIS A 6 10.862 -53.154 56.383 1.00 71.44 O ATOM 85 CB HIS A 6 14.031 -52.827 57.004 1.00 62.23 C ATOM 86 CG HIS A 6 15.297 -52.841 57.823 1.00 51.20 C ATOM 87 ND1 HIS A 6 16.113 -51.740 57.960 1.00 43.53 N ATOM 88 CD2 HIS A 6 15.896 -53.830 58.532 1.00 41.33 C ATOM 89 CE1 HIS A 6 17.148 -52.049 58.710 1.00 62.14 C ATOM 90 NE2 HIS A 6 17.040 -53.308 59.071 1.00 74.44 N ATOM 0 H HIS A 6 12.867 -54.690 58.226 1.00 54.24 H new ATOM 0 HA HIS A 6 12.886 -51.801 58.510 1.00 54.24 H new ATOM 0 HB2 HIS A 6 13.960 -53.765 56.454 1.00 62.23 H new ATOM 0 HB3 HIS A 6 14.102 -52.029 56.265 1.00 62.23 H new ATOM 0 HD2 HIS A 6 15.537 -54.842 58.649 1.00 41.33 H new ATOM 0 HE1 HIS A 6 17.951 -51.381 58.983 1.00 62.14 H new ATOM 0 HE2 HIS A 6 17.702 -53.814 59.658 1.00 74.44 H new ATOM 99 N HIS A 7 11.319 -50.964 56.721 1.00 12.25 N ATOM 100 CA HIS A 7 10.127 -50.445 56.008 1.00 32.12 C ATOM 101 C HIS A 7 10.451 -50.076 54.528 1.00 44.53 C ATOM 102 O HIS A 7 9.560 -49.633 53.793 1.00 13.34 O ATOM 103 CB HIS A 7 9.554 -49.232 56.804 1.00 14.24 C ATOM 104 CG HIS A 7 8.222 -48.725 56.312 1.00 41.34 C ATOM 105 ND1 HIS A 7 8.021 -47.443 55.848 1.00 64.12 N ATOM 106 CD2 HIS A 7 7.027 -49.349 56.195 1.00 41.21 C ATOM 107 CE1 HIS A 7 6.776 -47.305 55.461 1.00 22.24 C ATOM 108 NE2 HIS A 7 6.150 -48.442 55.661 1.00 60.53 N ATOM 0 H HIS A 7 11.949 -50.234 57.055 1.00 12.25 H new ATOM 0 HA HIS A 7 9.369 -51.227 55.959 1.00 32.12 H new ATOM 0 HB2 HIS A 7 9.454 -49.517 57.851 1.00 14.24 H new ATOM 0 HB3 HIS A 7 10.275 -48.416 56.764 1.00 14.24 H new ATOM 0 HD2 HIS A 7 6.806 -50.370 56.471 1.00 41.21 H new ATOM 0 HE1 HIS A 7 6.339 -46.408 55.048 1.00 22.24 H new ATOM 0 HE2 HIS A 7 5.168 -48.621 55.452 1.00 60.53 H new ATOM 117 N HIS A 8 11.724 -50.277 54.113 1.00 74.25 N ATOM 118 CA HIS A 8 12.192 -50.101 52.710 1.00 44.31 C ATOM 119 C HIS A 8 11.991 -48.651 52.214 1.00 64.23 C ATOM 120 O HIS A 8 10.916 -48.302 51.707 1.00 24.30 O ATOM 121 CB HIS A 8 11.510 -51.147 51.766 1.00 33.31 C ATOM 122 CG HIS A 8 11.981 -51.140 50.327 1.00 72.21 C ATOM 123 ND1 HIS A 8 13.074 -51.855 49.892 1.00 63.54 N ATOM 124 CD2 HIS A 8 11.493 -50.513 49.224 1.00 45.41 C ATOM 125 CE1 HIS A 8 13.231 -51.678 48.596 1.00 64.44 C ATOM 126 NE2 HIS A 8 12.286 -50.868 48.165 1.00 24.42 N ATOM 0 H HIS A 8 12.467 -50.570 54.748 1.00 74.25 H new ATOM 0 HA HIS A 8 13.266 -50.286 52.688 1.00 44.31 H new ATOM 0 HB2 HIS A 8 11.675 -52.143 52.178 1.00 33.31 H new ATOM 0 HB3 HIS A 8 10.434 -50.972 51.777 1.00 33.31 H new ATOM 0 HD2 HIS A 8 10.637 -49.855 49.189 1.00 45.41 H new ATOM 0 HE1 HIS A 8 14.005 -52.123 47.988 1.00 64.44 H new ATOM 0 HE2 HIS A 8 12.165 -50.556 47.201 1.00 24.42 H new ATOM 135 N SER A 9 13.018 -47.806 52.393 1.00 64.32 N ATOM 136 CA SER A 9 12.967 -46.385 52.006 1.00 23.13 C ATOM 137 C SER A 9 13.128 -46.208 50.480 1.00 43.54 C ATOM 138 O SER A 9 14.244 -46.214 49.952 1.00 65.13 O ATOM 139 CB SER A 9 14.043 -45.586 52.770 1.00 73.21 C ATOM 140 OG SER A 9 13.830 -45.657 54.175 1.00 72.11 O ATOM 0 H SER A 9 13.906 -48.086 52.809 1.00 64.32 H new ATOM 0 HA SER A 9 11.985 -45.996 52.276 1.00 23.13 H new ATOM 0 HB2 SER A 9 15.031 -45.977 52.528 1.00 73.21 H new ATOM 0 HB3 SER A 9 14.025 -44.545 52.448 1.00 73.21 H new ATOM 0 HG SER A 9 14.525 -45.144 54.638 1.00 72.11 H new ATOM 146 N HIS A 10 11.989 -46.085 49.787 1.00 52.33 N ATOM 147 CA HIS A 10 11.935 -45.740 48.357 1.00 11.50 C ATOM 148 C HIS A 10 10.559 -45.116 48.062 1.00 31.12 C ATOM 149 O HIS A 10 9.556 -45.499 48.669 1.00 33.12 O ATOM 150 CB HIS A 10 12.191 -46.987 47.456 1.00 4.13 C ATOM 151 CG HIS A 10 12.455 -46.658 45.997 1.00 32.12 C ATOM 152 ND1 HIS A 10 13.724 -46.544 45.474 1.00 75.43 N ATOM 153 CD2 HIS A 10 11.612 -46.414 44.958 1.00 12.31 C ATOM 154 CE1 HIS A 10 13.652 -46.254 44.192 1.00 33.43 C ATOM 155 NE2 HIS A 10 12.384 -46.168 43.853 1.00 42.52 N ATOM 0 H HIS A 10 11.069 -46.223 50.205 1.00 52.33 H new ATOM 0 HA HIS A 10 12.724 -45.024 48.127 1.00 11.50 H new ATOM 0 HB2 HIS A 10 13.044 -47.539 47.852 1.00 4.13 H new ATOM 0 HB3 HIS A 10 11.327 -47.649 47.517 1.00 4.13 H new ATOM 0 HD2 HIS A 10 10.533 -46.414 44.997 1.00 12.31 H new ATOM 0 HE1 HIS A 10 14.493 -46.111 43.530 1.00 33.43 H new ATOM 0 HE2 HIS A 10 12.033 -45.953 42.920 1.00 42.52 H new ATOM 164 N MET A 11 10.522 -44.158 47.131 1.00 13.52 N ATOM 165 CA MET A 11 9.287 -43.446 46.753 1.00 21.33 C ATOM 166 C MET A 11 9.273 -43.194 45.228 1.00 12.11 C ATOM 167 O MET A 11 10.344 -43.071 44.622 1.00 10.31 O ATOM 168 CB MET A 11 9.191 -42.108 47.543 1.00 12.20 C ATOM 169 CG MET A 11 10.393 -41.171 47.352 1.00 73.51 C ATOM 170 SD MET A 11 10.254 -39.641 48.296 1.00 72.44 S ATOM 171 CE MET A 11 11.792 -38.814 47.884 1.00 32.42 C ATOM 0 H MET A 11 11.346 -43.850 46.615 1.00 13.52 H new ATOM 0 HA MET A 11 8.420 -44.056 47.005 1.00 21.33 H new ATOM 0 HB2 MET A 11 8.285 -41.584 47.238 1.00 12.20 H new ATOM 0 HB3 MET A 11 9.087 -42.333 48.604 1.00 12.20 H new ATOM 0 HG2 MET A 11 11.303 -41.692 47.648 1.00 73.51 H new ATOM 0 HG3 MET A 11 10.494 -40.930 46.294 1.00 73.51 H new ATOM 0 HE1 MET A 11 11.839 -37.855 48.399 1.00 32.42 H new ATOM 0 HE2 MET A 11 12.633 -39.434 48.194 1.00 32.42 H new ATOM 0 HE3 MET A 11 11.840 -38.650 46.807 1.00 32.42 H new ATOM 181 N PRO A 12 8.073 -43.152 44.575 1.00 21.11 N ATOM 182 CA PRO A 12 7.962 -42.770 43.148 1.00 2.25 C ATOM 183 C PRO A 12 7.986 -41.232 42.964 1.00 0.05 C ATOM 184 O PRO A 12 7.652 -40.479 43.885 1.00 44.21 O ATOM 185 CB PRO A 12 6.600 -43.378 42.740 1.00 51.04 C ATOM 186 CG PRO A 12 5.768 -43.319 43.992 1.00 24.34 C ATOM 187 CD PRO A 12 6.734 -43.496 45.152 1.00 22.24 C ATOM 0 HA PRO A 12 8.792 -43.129 42.539 1.00 2.25 H new ATOM 0 HB2 PRO A 12 6.139 -42.811 41.931 1.00 51.04 H new ATOM 0 HB3 PRO A 12 6.713 -44.403 42.387 1.00 51.04 H new ATOM 0 HG2 PRO A 12 5.242 -42.367 44.065 1.00 24.34 H new ATOM 0 HG3 PRO A 12 5.010 -44.103 43.993 1.00 24.34 H new ATOM 0 HD2 PRO A 12 6.480 -42.841 45.985 1.00 22.24 H new ATOM 0 HD3 PRO A 12 6.715 -44.517 45.533 1.00 22.24 H new ATOM 195 N ASN A 13 8.396 -40.785 41.773 1.00 34.41 N ATOM 196 CA ASN A 13 8.427 -39.354 41.410 1.00 23.35 C ATOM 197 C ASN A 13 7.353 -39.105 40.339 1.00 63.41 C ATOM 198 O ASN A 13 7.410 -39.713 39.266 1.00 42.32 O ATOM 199 CB ASN A 13 9.839 -38.979 40.891 1.00 4.34 C ATOM 200 CG ASN A 13 10.008 -37.485 40.591 1.00 53.04 C ATOM 201 OD1 ASN A 13 9.749 -37.021 39.487 1.00 23.24 O ATOM 202 ND2 ASN A 13 10.456 -36.719 41.572 1.00 30.44 N ATOM 0 H ASN A 13 8.718 -41.402 41.028 1.00 34.41 H new ATOM 0 HA ASN A 13 8.216 -38.730 42.278 1.00 23.35 H new ATOM 0 HB2 ASN A 13 10.580 -39.278 41.632 1.00 4.34 H new ATOM 0 HB3 ASN A 13 10.047 -39.548 39.985 1.00 4.34 H new ATOM 0 HD21 ASN A 13 10.592 -35.720 41.417 1.00 30.44 H new ATOM 0 HD22 ASN A 13 10.665 -37.127 42.483 1.00 30.44 H new ATOM 209 N GLY A 14 6.377 -38.223 40.637 1.00 23.24 N ATOM 210 CA GLY A 14 5.242 -37.953 39.743 1.00 11.11 C ATOM 211 C GLY A 14 5.581 -36.980 38.610 1.00 34.24 C ATOM 212 O GLY A 14 4.914 -35.948 38.442 1.00 34.50 O ATOM 0 H GLY A 14 6.357 -37.682 41.501 1.00 23.24 H new ATOM 0 HA2 GLY A 14 4.895 -38.893 39.314 1.00 11.11 H new ATOM 0 HA3 GLY A 14 4.417 -37.546 40.328 1.00 11.11 H new ATOM 216 N LYS A 15 6.625 -37.315 37.827 1.00 30.53 N ATOM 217 CA LYS A 15 7.105 -36.488 36.710 1.00 72.31 C ATOM 218 C LYS A 15 6.292 -36.775 35.431 1.00 43.42 C ATOM 219 O LYS A 15 5.832 -37.904 35.206 1.00 54.23 O ATOM 220 CB LYS A 15 8.629 -36.730 36.474 1.00 13.52 C ATOM 221 CG LYS A 15 9.033 -38.195 36.192 1.00 32.21 C ATOM 222 CD LYS A 15 10.566 -38.394 36.072 1.00 55.11 C ATOM 223 CE LYS A 15 10.961 -39.858 35.807 1.00 32.13 C ATOM 224 NZ LYS A 15 12.440 -40.049 35.742 1.00 40.44 N ATOM 0 H LYS A 15 7.160 -38.174 37.955 1.00 30.53 H new ATOM 0 HA LYS A 15 6.962 -35.438 36.966 1.00 72.31 H new ATOM 0 HB2 LYS A 15 8.951 -36.114 35.634 1.00 13.52 H new ATOM 0 HB3 LYS A 15 9.175 -36.383 37.352 1.00 13.52 H new ATOM 0 HG2 LYS A 15 8.652 -38.830 36.992 1.00 32.21 H new ATOM 0 HG3 LYS A 15 8.557 -38.525 35.269 1.00 32.21 H new ATOM 0 HD2 LYS A 15 10.946 -37.768 35.264 1.00 55.11 H new ATOM 0 HD3 LYS A 15 11.044 -38.054 36.991 1.00 55.11 H new ATOM 0 HE2 LYS A 15 10.551 -40.490 36.595 1.00 32.13 H new ATOM 0 HE3 LYS A 15 10.514 -40.187 34.869 1.00 32.13 H new ATOM 0 HZ1 LYS A 15 12.653 -41.051 35.562 1.00 40.44 H new ATOM 0 HZ2 LYS A 15 12.832 -39.468 34.973 1.00 40.44 H new ATOM 0 HZ3 LYS A 15 12.867 -39.761 36.645 1.00 40.44 H new ATOM 238 N LEU A 16 6.120 -35.733 34.609 1.00 22.21 N ATOM 239 CA LEU A 16 5.375 -35.791 33.336 1.00 71.43 C ATOM 240 C LEU A 16 6.113 -34.969 32.264 1.00 23.41 C ATOM 241 O LEU A 16 7.121 -34.318 32.561 1.00 74.43 O ATOM 242 CB LEU A 16 3.896 -35.311 33.556 1.00 12.31 C ATOM 243 CG LEU A 16 3.662 -33.995 34.404 1.00 55.15 C ATOM 244 CD1 LEU A 16 4.072 -32.705 33.655 1.00 73.22 C ATOM 245 CD2 LEU A 16 2.197 -33.898 34.892 1.00 43.53 C ATOM 0 H LEU A 16 6.499 -34.808 34.809 1.00 22.21 H new ATOM 0 HA LEU A 16 5.325 -36.819 32.978 1.00 71.43 H new ATOM 0 HB2 LEU A 16 3.444 -35.162 32.576 1.00 12.31 H new ATOM 0 HB3 LEU A 16 3.350 -36.121 34.039 1.00 12.31 H new ATOM 0 HG LEU A 16 4.319 -34.075 35.270 1.00 55.15 H new ATOM 0 HD11 LEU A 16 3.886 -31.840 34.292 1.00 73.22 H new ATOM 0 HD12 LEU A 16 5.132 -32.751 33.405 1.00 73.22 H new ATOM 0 HD13 LEU A 16 3.487 -32.614 32.740 1.00 73.22 H new ATOM 0 HD21 LEU A 16 2.066 -32.984 35.472 1.00 43.53 H new ATOM 0 HD22 LEU A 16 1.527 -33.881 34.032 1.00 43.53 H new ATOM 0 HD23 LEU A 16 1.964 -34.760 35.517 1.00 43.53 H new ATOM 257 N LYS A 17 5.596 -34.988 31.025 1.00 31.44 N ATOM 258 CA LYS A 17 6.208 -34.262 29.893 1.00 73.44 C ATOM 259 C LYS A 17 5.112 -33.587 29.048 1.00 3.34 C ATOM 260 O LYS A 17 4.000 -34.115 28.932 1.00 75.31 O ATOM 261 CB LYS A 17 7.066 -35.234 29.031 1.00 53.41 C ATOM 262 CG LYS A 17 7.780 -34.576 27.828 1.00 54.10 C ATOM 263 CD LYS A 17 8.716 -35.548 27.065 1.00 4.34 C ATOM 264 CE LYS A 17 9.321 -34.911 25.805 1.00 33.04 C ATOM 265 NZ LYS A 17 10.284 -35.815 25.116 1.00 35.13 N ATOM 0 H LYS A 17 4.750 -35.501 30.778 1.00 31.44 H new ATOM 0 HA LYS A 17 6.868 -33.485 30.279 1.00 73.44 H new ATOM 0 HB2 LYS A 17 7.816 -35.699 29.671 1.00 53.41 H new ATOM 0 HB3 LYS A 17 6.423 -36.033 28.661 1.00 53.41 H new ATOM 0 HG2 LYS A 17 7.031 -34.187 27.138 1.00 54.10 H new ATOM 0 HG3 LYS A 17 8.362 -33.724 28.181 1.00 54.10 H new ATOM 0 HD2 LYS A 17 9.519 -35.869 27.728 1.00 4.34 H new ATOM 0 HD3 LYS A 17 8.157 -36.441 26.785 1.00 4.34 H new ATOM 0 HE2 LYS A 17 8.520 -34.645 25.115 1.00 33.04 H new ATOM 0 HE3 LYS A 17 9.828 -33.985 26.077 1.00 33.04 H new ATOM 0 HZ1 LYS A 17 10.664 -35.340 24.273 1.00 35.13 H new ATOM 0 HZ2 LYS A 17 11.064 -36.049 25.763 1.00 35.13 H new ATOM 0 HZ3 LYS A 17 9.797 -36.689 24.831 1.00 35.13 H new ATOM 279 N CYS A 18 5.452 -32.417 28.472 1.00 44.33 N ATOM 280 CA CYS A 18 4.565 -31.637 27.605 1.00 70.13 C ATOM 281 C CYS A 18 4.273 -32.409 26.313 1.00 21.34 C ATOM 282 O CYS A 18 5.195 -32.715 25.546 1.00 61.22 O ATOM 283 CB CYS A 18 5.213 -30.268 27.284 1.00 4.22 C ATOM 284 SG CYS A 18 4.259 -29.245 26.145 1.00 32.40 S ATOM 0 H CYS A 18 6.367 -31.986 28.602 1.00 44.33 H new ATOM 0 HA CYS A 18 3.622 -31.465 28.124 1.00 70.13 H new ATOM 0 HB2 CYS A 18 5.355 -29.719 28.215 1.00 4.22 H new ATOM 0 HB3 CYS A 18 6.203 -30.438 26.860 1.00 4.22 H new ATOM 0 HG CYS A 18 3.652 -30.006 25.283 1.00 32.40 H new ATOM 290 N ASP A 19 2.990 -32.750 26.104 1.00 72.02 N ATOM 291 CA ASP A 19 2.533 -33.476 24.911 1.00 22.23 C ATOM 292 C ASP A 19 2.647 -32.580 23.654 1.00 24.01 C ATOM 293 O ASP A 19 2.566 -31.345 23.753 1.00 71.31 O ATOM 294 CB ASP A 19 1.074 -33.973 25.129 1.00 21.23 C ATOM 295 CG ASP A 19 0.506 -34.819 23.969 1.00 4.24 C ATOM 296 OD1 ASP A 19 1.244 -35.659 23.400 1.00 23.43 O ATOM 297 OD2 ASP A 19 -0.677 -34.644 23.612 1.00 62.12 O ATOM 0 H ASP A 19 2.241 -32.529 26.760 1.00 72.02 H new ATOM 0 HA ASP A 19 3.170 -34.345 24.750 1.00 22.23 H new ATOM 0 HB2 ASP A 19 1.038 -34.564 26.044 1.00 21.23 H new ATOM 0 HB3 ASP A 19 0.428 -33.108 25.282 1.00 21.23 H new ATOM 302 N VAL A 20 2.831 -33.217 22.481 1.00 64.15 N ATOM 303 CA VAL A 20 3.059 -32.523 21.199 1.00 22.22 C ATOM 304 C VAL A 20 1.796 -31.730 20.746 1.00 61.12 C ATOM 305 O VAL A 20 0.670 -32.247 20.768 1.00 3.22 O ATOM 306 CB VAL A 20 3.519 -33.541 20.078 1.00 63.11 C ATOM 307 CG1 VAL A 20 2.450 -34.615 19.779 1.00 4.03 C ATOM 308 CG2 VAL A 20 3.957 -32.801 18.792 1.00 2.00 C ATOM 0 H VAL A 20 2.826 -34.233 22.396 1.00 64.15 H new ATOM 0 HA VAL A 20 3.862 -31.803 21.354 1.00 22.22 H new ATOM 0 HB VAL A 20 4.387 -34.070 20.471 1.00 63.11 H new ATOM 0 HG11 VAL A 20 2.817 -35.287 19.003 1.00 4.03 H new ATOM 0 HG12 VAL A 20 2.243 -35.185 20.685 1.00 4.03 H new ATOM 0 HG13 VAL A 20 1.534 -34.132 19.438 1.00 4.03 H new ATOM 0 HG21 VAL A 20 4.267 -33.528 18.042 1.00 2.00 H new ATOM 0 HG22 VAL A 20 3.122 -32.216 18.407 1.00 2.00 H new ATOM 0 HG23 VAL A 20 4.791 -32.137 19.020 1.00 2.00 H new ATOM 318 N CYS A 21 2.007 -30.459 20.381 1.00 54.13 N ATOM 319 CA CYS A 21 0.958 -29.563 19.864 1.00 34.34 C ATOM 320 C CYS A 21 0.878 -29.688 18.331 1.00 54.33 C ATOM 321 O CYS A 21 1.808 -30.196 17.689 1.00 32.34 O ATOM 322 CB CYS A 21 1.271 -28.104 20.277 1.00 2.32 C ATOM 323 SG CYS A 21 -0.016 -26.917 19.848 1.00 64.45 S ATOM 0 H CYS A 21 2.924 -30.015 20.436 1.00 54.13 H new ATOM 0 HA CYS A 21 -0.006 -29.846 20.286 1.00 34.34 H new ATOM 0 HB2 CYS A 21 1.434 -28.071 21.354 1.00 2.32 H new ATOM 0 HB3 CYS A 21 2.204 -27.797 19.804 1.00 2.32 H new ATOM 0 HG CYS A 21 0.342 -25.729 20.238 1.00 64.45 H new ATOM 329 N GLY A 22 -0.236 -29.211 17.751 1.00 14.14 N ATOM 330 CA GLY A 22 -0.464 -29.256 16.299 1.00 61.12 C ATOM 331 C GLY A 22 -0.848 -27.892 15.756 1.00 61.44 C ATOM 332 O GLY A 22 -1.706 -27.211 16.334 1.00 5.32 O ATOM 0 H GLY A 22 -1.001 -28.785 18.274 1.00 14.14 H new ATOM 0 HA2 GLY A 22 0.438 -29.608 15.798 1.00 61.12 H new ATOM 0 HA3 GLY A 22 -1.253 -29.974 16.075 1.00 61.12 H new ATOM 336 N MET A 23 -0.212 -27.488 14.647 1.00 33.20 N ATOM 337 CA MET A 23 -0.422 -26.164 14.025 1.00 4.53 C ATOM 338 C MET A 23 -1.266 -26.289 12.745 1.00 42.11 C ATOM 339 O MET A 23 -1.479 -27.394 12.227 1.00 15.25 O ATOM 340 CB MET A 23 0.949 -25.497 13.709 1.00 75.51 C ATOM 341 CG MET A 23 1.785 -26.166 12.606 1.00 63.42 C ATOM 342 SD MET A 23 3.376 -25.339 12.335 1.00 23.34 S ATOM 343 CE MET A 23 2.885 -23.678 11.844 1.00 73.34 C ATOM 0 H MET A 23 0.465 -28.068 14.152 1.00 33.20 H new ATOM 0 HA MET A 23 -0.966 -25.535 14.729 1.00 4.53 H new ATOM 0 HB2 MET A 23 0.769 -24.461 13.423 1.00 75.51 H new ATOM 0 HB3 MET A 23 1.541 -25.477 14.624 1.00 75.51 H new ATOM 0 HG2 MET A 23 1.962 -27.208 12.872 1.00 63.42 H new ATOM 0 HG3 MET A 23 1.217 -26.167 11.675 1.00 63.42 H new ATOM 0 HE1 MET A 23 3.737 -23.163 11.400 1.00 73.34 H new ATOM 0 HE2 MET A 23 2.077 -23.738 11.115 1.00 73.34 H new ATOM 0 HE3 MET A 23 2.544 -23.126 12.720 1.00 73.34 H new ATOM 353 N VAL A 24 -1.747 -25.137 12.255 1.00 75.22 N ATOM 354 CA VAL A 24 -2.454 -25.046 10.965 1.00 51.13 C ATOM 355 C VAL A 24 -1.418 -24.907 9.822 1.00 74.30 C ATOM 356 O VAL A 24 -0.313 -24.374 10.028 1.00 52.32 O ATOM 357 CB VAL A 24 -3.480 -23.839 10.962 1.00 62.33 C ATOM 358 CG1 VAL A 24 -2.778 -22.478 11.135 1.00 2.32 C ATOM 359 CG2 VAL A 24 -4.392 -23.844 9.709 1.00 4.34 C ATOM 0 H VAL A 24 -1.658 -24.243 12.739 1.00 75.22 H new ATOM 0 HA VAL A 24 -3.032 -25.957 10.809 1.00 51.13 H new ATOM 0 HB VAL A 24 -4.123 -23.986 11.830 1.00 62.33 H new ATOM 0 HG11 VAL A 24 -3.522 -21.681 11.127 1.00 2.32 H new ATOM 0 HG12 VAL A 24 -2.241 -22.463 12.084 1.00 2.32 H new ATOM 0 HG13 VAL A 24 -2.074 -22.325 10.317 1.00 2.32 H new ATOM 0 HG21 VAL A 24 -5.077 -22.997 9.754 1.00 4.34 H new ATOM 0 HG22 VAL A 24 -3.778 -23.766 8.812 1.00 4.34 H new ATOM 0 HG23 VAL A 24 -4.963 -24.772 9.679 1.00 4.34 H new ATOM 369 N CYS A 25 -1.769 -25.422 8.641 1.00 13.53 N ATOM 370 CA CYS A 25 -0.956 -25.310 7.420 1.00 3.11 C ATOM 371 C CYS A 25 -1.898 -25.161 6.216 1.00 32.24 C ATOM 372 O CYS A 25 -3.078 -25.533 6.302 1.00 75.41 O ATOM 373 CB CYS A 25 -0.049 -26.557 7.258 1.00 11.45 C ATOM 374 SG CYS A 25 1.022 -26.523 5.800 1.00 73.53 S ATOM 0 H CYS A 25 -2.638 -25.937 8.501 1.00 13.53 H new ATOM 0 HA CYS A 25 -0.308 -24.436 7.485 1.00 3.11 H new ATOM 0 HB2 CYS A 25 0.573 -26.656 8.148 1.00 11.45 H new ATOM 0 HB3 CYS A 25 -0.679 -27.445 7.209 1.00 11.45 H new ATOM 0 HG CYS A 25 1.737 -27.608 5.762 1.00 73.53 H new ATOM 380 N ILE A 26 -1.383 -24.600 5.100 1.00 1.22 N ATOM 381 CA ILE A 26 -2.158 -24.462 3.850 1.00 42.50 C ATOM 382 C ILE A 26 -2.555 -25.862 3.319 1.00 21.41 C ATOM 383 O ILE A 26 -1.724 -26.781 3.295 1.00 61.40 O ATOM 384 CB ILE A 26 -1.363 -23.650 2.740 1.00 1.05 C ATOM 385 CG1 ILE A 26 -2.185 -23.577 1.406 1.00 33.10 C ATOM 386 CG2 ILE A 26 0.049 -24.235 2.512 1.00 65.14 C ATOM 387 CD1 ILE A 26 -1.529 -22.814 0.267 1.00 74.32 C ATOM 0 H ILE A 26 -0.432 -24.235 5.041 1.00 1.22 H new ATOM 0 HA ILE A 26 -3.059 -23.893 4.079 1.00 42.50 H new ATOM 0 HB ILE A 26 -1.229 -22.631 3.102 1.00 1.05 H new ATOM 0 HG12 ILE A 26 -2.386 -24.594 1.069 1.00 33.10 H new ATOM 0 HG13 ILE A 26 -3.149 -23.116 1.620 1.00 33.10 H new ATOM 0 HG21 ILE A 26 0.564 -23.655 1.746 1.00 65.14 H new ATOM 0 HG22 ILE A 26 0.615 -24.192 3.442 1.00 65.14 H new ATOM 0 HG23 ILE A 26 -0.035 -25.272 2.186 1.00 65.14 H new ATOM 0 HD11 ILE A 26 -2.184 -22.827 -0.604 1.00 74.32 H new ATOM 0 HD12 ILE A 26 -1.353 -21.783 0.573 1.00 74.32 H new ATOM 0 HD13 ILE A 26 -0.579 -23.284 0.014 1.00 74.32 H new ATOM 399 N GLY A 27 -3.834 -26.018 2.932 1.00 1.25 N ATOM 400 CA GLY A 27 -4.350 -27.289 2.422 1.00 60.33 C ATOM 401 C GLY A 27 -4.019 -27.520 0.941 1.00 13.43 C ATOM 402 O GLY A 27 -3.100 -26.878 0.406 1.00 51.32 O ATOM 0 H GLY A 27 -4.528 -25.271 2.966 1.00 1.25 H new ATOM 0 HA2 GLY A 27 -3.936 -28.106 3.013 1.00 60.33 H new ATOM 0 HA3 GLY A 27 -5.432 -27.315 2.555 1.00 60.33 H new ATOM 406 N PRO A 28 -4.745 -28.452 0.247 1.00 62.02 N ATOM 407 CA PRO A 28 -4.540 -28.726 -1.199 1.00 65.35 C ATOM 408 C PRO A 28 -4.938 -27.531 -2.098 1.00 24.31 C ATOM 409 O PRO A 28 -5.664 -26.625 -1.665 1.00 33.12 O ATOM 410 CB PRO A 28 -5.434 -29.978 -1.464 1.00 71.04 C ATOM 411 CG PRO A 28 -5.771 -30.525 -0.100 1.00 13.23 C ATOM 412 CD PRO A 28 -5.806 -29.326 0.816 1.00 3.33 C ATOM 0 HA PRO A 28 -3.490 -28.894 -1.440 1.00 65.35 H new ATOM 0 HB2 PRO A 28 -6.336 -29.708 -2.013 1.00 71.04 H new ATOM 0 HB3 PRO A 28 -4.905 -30.718 -2.065 1.00 71.04 H new ATOM 0 HG2 PRO A 28 -6.732 -31.040 -0.110 1.00 13.23 H new ATOM 0 HG3 PRO A 28 -5.025 -31.248 0.228 1.00 13.23 H new ATOM 0 HD2 PRO A 28 -6.781 -28.838 0.808 1.00 3.33 H new ATOM 0 HD3 PRO A 28 -5.595 -29.599 1.850 1.00 3.33 H new ATOM 420 N ASN A 29 -4.470 -27.551 -3.359 1.00 45.13 N ATOM 421 CA ASN A 29 -4.701 -26.460 -4.333 1.00 14.42 C ATOM 422 C ASN A 29 -6.058 -26.684 -5.058 1.00 23.24 C ATOM 423 O ASN A 29 -6.144 -26.769 -6.293 1.00 61.05 O ATOM 424 CB ASN A 29 -3.485 -26.378 -5.314 1.00 32.35 C ATOM 425 CG ASN A 29 -3.484 -25.145 -6.233 1.00 41.44 C ATOM 426 OD1 ASN A 29 -4.020 -24.089 -5.892 1.00 64.13 O ATOM 427 ND2 ASN A 29 -2.851 -25.260 -7.394 1.00 25.54 N ATOM 0 H ASN A 29 -3.920 -28.323 -3.735 1.00 45.13 H new ATOM 0 HA ASN A 29 -4.771 -25.497 -3.827 1.00 14.42 H new ATOM 0 HB2 ASN A 29 -2.564 -26.381 -4.731 1.00 32.35 H new ATOM 0 HB3 ASN A 29 -3.473 -27.275 -5.932 1.00 32.35 H new ATOM 0 HD21 ASN A 29 -2.800 -24.463 -8.028 1.00 25.54 H new ATOM 0 HD22 ASN A 29 -2.416 -26.146 -7.652 1.00 25.54 H new ATOM 434 N VAL A 30 -7.126 -26.765 -4.241 1.00 61.42 N ATOM 435 CA VAL A 30 -8.503 -27.063 -4.697 1.00 74.24 C ATOM 436 C VAL A 30 -9.135 -25.852 -5.415 1.00 53.11 C ATOM 437 O VAL A 30 -10.016 -26.027 -6.257 1.00 45.03 O ATOM 438 CB VAL A 30 -9.415 -27.546 -3.501 1.00 31.21 C ATOM 439 CG1 VAL A 30 -8.880 -28.862 -2.883 1.00 14.42 C ATOM 440 CG2 VAL A 30 -9.560 -26.454 -2.421 1.00 43.41 C ATOM 0 H VAL A 30 -7.059 -26.624 -3.233 1.00 61.42 H new ATOM 0 HA VAL A 30 -8.435 -27.879 -5.416 1.00 74.24 H new ATOM 0 HB VAL A 30 -10.406 -27.742 -3.910 1.00 31.21 H new ATOM 0 HG11 VAL A 30 -9.529 -29.169 -2.063 1.00 14.42 H new ATOM 0 HG12 VAL A 30 -8.865 -29.642 -3.645 1.00 14.42 H new ATOM 0 HG13 VAL A 30 -7.870 -28.703 -2.506 1.00 14.42 H new ATOM 0 HG21 VAL A 30 -10.194 -26.822 -1.614 1.00 43.41 H new ATOM 0 HG22 VAL A 30 -8.577 -26.202 -2.024 1.00 43.41 H new ATOM 0 HG23 VAL A 30 -10.012 -25.565 -2.861 1.00 43.41 H new ATOM 450 N LEU A 31 -8.673 -24.632 -5.061 1.00 13.43 N ATOM 451 CA LEU A 31 -9.129 -23.371 -5.692 1.00 74.44 C ATOM 452 C LEU A 31 -8.811 -23.328 -7.204 1.00 23.40 C ATOM 453 O LEU A 31 -9.576 -22.753 -7.989 1.00 15.41 O ATOM 454 CB LEU A 31 -8.529 -22.138 -4.927 1.00 51.32 C ATOM 455 CG LEU A 31 -6.969 -22.123 -4.657 1.00 55.30 C ATOM 456 CD1 LEU A 31 -6.150 -21.641 -5.873 1.00 42.11 C ATOM 457 CD2 LEU A 31 -6.615 -21.293 -3.398 1.00 51.43 C ATOM 0 H LEU A 31 -7.974 -24.493 -4.331 1.00 13.43 H new ATOM 0 HA LEU A 31 -10.215 -23.325 -5.613 1.00 74.44 H new ATOM 0 HB2 LEU A 31 -8.780 -21.240 -5.491 1.00 51.32 H new ATOM 0 HB3 LEU A 31 -9.036 -22.062 -3.965 1.00 51.32 H new ATOM 0 HG LEU A 31 -6.689 -23.161 -4.477 1.00 55.30 H new ATOM 0 HD11 LEU A 31 -5.089 -21.653 -5.625 1.00 42.11 H new ATOM 0 HD12 LEU A 31 -6.332 -22.303 -6.720 1.00 42.11 H new ATOM 0 HD13 LEU A 31 -6.450 -20.626 -6.134 1.00 42.11 H new ATOM 0 HD21 LEU A 31 -5.536 -21.306 -3.245 1.00 51.43 H new ATOM 0 HD22 LEU A 31 -6.950 -20.265 -3.534 1.00 51.43 H new ATOM 0 HD23 LEU A 31 -7.110 -21.723 -2.527 1.00 51.43 H new ATOM 469 N MET A 32 -7.679 -23.953 -7.592 1.00 22.34 N ATOM 470 CA MET A 32 -7.253 -24.057 -8.999 1.00 53.34 C ATOM 471 C MET A 32 -8.111 -25.094 -9.730 1.00 11.12 C ATOM 472 O MET A 32 -8.600 -24.835 -10.827 1.00 55.41 O ATOM 473 CB MET A 32 -5.753 -24.450 -9.085 1.00 54.02 C ATOM 474 CG MET A 32 -5.228 -24.644 -10.520 1.00 12.14 C ATOM 475 SD MET A 32 -3.496 -25.137 -10.578 1.00 25.40 S ATOM 476 CE MET A 32 -3.244 -25.346 -12.346 1.00 33.21 C ATOM 0 H MET A 32 -7.037 -24.399 -6.937 1.00 22.34 H new ATOM 0 HA MET A 32 -7.385 -23.086 -9.476 1.00 53.34 H new ATOM 0 HB2 MET A 32 -5.159 -23.679 -8.595 1.00 54.02 H new ATOM 0 HB3 MET A 32 -5.599 -25.373 -8.527 1.00 54.02 H new ATOM 0 HG2 MET A 32 -5.832 -25.400 -11.022 1.00 12.14 H new ATOM 0 HG3 MET A 32 -5.354 -23.715 -11.075 1.00 12.14 H new ATOM 0 HE1 MET A 32 -2.214 -25.651 -12.533 1.00 33.21 H new ATOM 0 HE2 MET A 32 -3.923 -26.111 -12.722 1.00 33.21 H new ATOM 0 HE3 MET A 32 -3.441 -24.403 -12.856 1.00 33.21 H new ATOM 486 N VAL A 33 -8.295 -26.259 -9.076 1.00 23.12 N ATOM 487 CA VAL A 33 -9.065 -27.397 -9.618 1.00 11.12 C ATOM 488 C VAL A 33 -10.539 -26.999 -9.858 1.00 3.24 C ATOM 489 O VAL A 33 -11.161 -27.428 -10.836 1.00 74.51 O ATOM 490 CB VAL A 33 -8.969 -28.637 -8.646 1.00 21.30 C ATOM 491 CG1 VAL A 33 -9.779 -29.852 -9.158 1.00 44.44 C ATOM 492 CG2 VAL A 33 -7.490 -29.032 -8.399 1.00 31.01 C ATOM 0 H VAL A 33 -7.910 -26.438 -8.149 1.00 23.12 H new ATOM 0 HA VAL A 33 -8.634 -27.678 -10.579 1.00 11.12 H new ATOM 0 HB VAL A 33 -9.413 -28.331 -7.699 1.00 21.30 H new ATOM 0 HG11 VAL A 33 -9.680 -30.678 -8.454 1.00 44.44 H new ATOM 0 HG12 VAL A 33 -10.830 -29.577 -9.249 1.00 44.44 H new ATOM 0 HG13 VAL A 33 -9.399 -30.158 -10.132 1.00 44.44 H new ATOM 0 HG21 VAL A 33 -7.450 -29.889 -7.726 1.00 31.01 H new ATOM 0 HG22 VAL A 33 -7.020 -29.293 -9.347 1.00 31.01 H new ATOM 0 HG23 VAL A 33 -6.959 -28.193 -7.950 1.00 31.01 H new ATOM 502 N HIS A 34 -11.058 -26.130 -8.968 1.00 55.21 N ATOM 503 CA HIS A 34 -12.430 -25.598 -9.042 1.00 55.52 C ATOM 504 C HIS A 34 -12.595 -24.742 -10.318 1.00 2.51 C ATOM 505 O HIS A 34 -13.491 -24.987 -11.136 1.00 54.04 O ATOM 506 CB HIS A 34 -12.739 -24.761 -7.764 1.00 61.23 C ATOM 507 CG HIS A 34 -14.192 -24.371 -7.582 1.00 44.41 C ATOM 508 ND1 HIS A 34 -14.986 -24.896 -6.585 1.00 33.23 N ATOM 509 CD2 HIS A 34 -14.975 -23.482 -8.245 1.00 21.42 C ATOM 510 CE1 HIS A 34 -16.184 -24.353 -6.642 1.00 14.14 C ATOM 511 NE2 HIS A 34 -16.202 -23.492 -7.640 1.00 14.15 N ATOM 0 H HIS A 34 -10.530 -25.775 -8.171 1.00 55.21 H new ATOM 0 HA HIS A 34 -13.139 -26.424 -9.092 1.00 55.52 H new ATOM 0 HB2 HIS A 34 -12.420 -25.330 -6.891 1.00 61.23 H new ATOM 0 HB3 HIS A 34 -12.136 -23.853 -7.790 1.00 61.23 H new ATOM 0 HD2 HIS A 34 -14.684 -22.879 -9.092 1.00 21.42 H new ATOM 0 HE1 HIS A 34 -17.011 -24.575 -5.984 1.00 14.14 H new ATOM 0 HE2 HIS A 34 -17.003 -22.924 -7.917 1.00 14.15 H new ATOM 520 N LYS A 35 -11.688 -23.760 -10.479 1.00 2.04 N ATOM 521 CA LYS A 35 -11.701 -22.820 -11.620 1.00 50.43 C ATOM 522 C LYS A 35 -11.388 -23.537 -12.953 1.00 35.42 C ATOM 523 O LYS A 35 -11.848 -23.103 -14.011 1.00 4.12 O ATOM 524 CB LYS A 35 -10.683 -21.671 -11.379 1.00 2.24 C ATOM 525 CG LYS A 35 -11.020 -20.739 -10.190 1.00 34.34 C ATOM 526 CD LYS A 35 -9.967 -19.618 -10.007 1.00 31.30 C ATOM 527 CE LYS A 35 -10.303 -18.665 -8.848 1.00 0.44 C ATOM 528 NZ LYS A 35 -10.307 -19.363 -7.532 1.00 31.34 N ATOM 0 H LYS A 35 -10.925 -23.595 -9.823 1.00 2.04 H new ATOM 0 HA LYS A 35 -12.705 -22.402 -11.695 1.00 50.43 H new ATOM 0 HB2 LYS A 35 -9.698 -22.107 -11.212 1.00 2.24 H new ATOM 0 HB3 LYS A 35 -10.615 -21.069 -12.285 1.00 2.24 H new ATOM 0 HG2 LYS A 35 -12.001 -20.291 -10.349 1.00 34.34 H new ATOM 0 HG3 LYS A 35 -11.083 -21.328 -9.275 1.00 34.34 H new ATOM 0 HD2 LYS A 35 -8.991 -20.069 -9.829 1.00 31.30 H new ATOM 0 HD3 LYS A 35 -9.889 -19.045 -10.931 1.00 31.30 H new ATOM 0 HE2 LYS A 35 -9.576 -17.853 -8.825 1.00 0.44 H new ATOM 0 HE3 LYS A 35 -11.280 -18.214 -9.022 1.00 0.44 H new ATOM 0 HZ1 LYS A 35 -10.471 -18.671 -6.773 1.00 31.34 H new ATOM 0 HZ2 LYS A 35 -11.064 -20.077 -7.520 1.00 31.34 H new ATOM 0 HZ3 LYS A 35 -9.389 -19.829 -7.383 1.00 31.34 H new ATOM 542 N ARG A 36 -10.610 -24.632 -12.867 1.00 22.33 N ATOM 543 CA ARG A 36 -10.175 -25.429 -14.034 1.00 34.25 C ATOM 544 C ARG A 36 -11.390 -26.183 -14.608 1.00 14.21 C ATOM 545 O ARG A 36 -11.662 -26.114 -15.811 1.00 65.33 O ATOM 546 CB ARG A 36 -9.028 -26.421 -13.611 1.00 42.42 C ATOM 547 CG ARG A 36 -8.013 -26.827 -14.718 1.00 54.21 C ATOM 548 CD ARG A 36 -8.630 -27.556 -15.917 1.00 62.35 C ATOM 549 NE ARG A 36 -9.381 -28.761 -15.508 1.00 24.55 N ATOM 550 CZ ARG A 36 -10.449 -29.279 -16.143 1.00 51.23 C ATOM 551 NH1 ARG A 36 -10.929 -28.723 -17.255 1.00 61.51 N ATOM 552 NH2 ARG A 36 -11.056 -30.339 -15.648 1.00 72.52 N ATOM 0 H ARG A 36 -10.262 -24.993 -11.979 1.00 22.33 H new ATOM 0 HA ARG A 36 -9.775 -24.774 -14.808 1.00 34.25 H new ATOM 0 HB2 ARG A 36 -8.473 -25.969 -12.789 1.00 42.42 H new ATOM 0 HB3 ARG A 36 -9.489 -27.329 -13.222 1.00 42.42 H new ATOM 0 HG2 ARG A 36 -7.509 -25.930 -15.076 1.00 54.21 H new ATOM 0 HG3 ARG A 36 -7.250 -27.466 -14.275 1.00 54.21 H new ATOM 0 HD2 ARG A 36 -9.296 -26.877 -16.450 1.00 62.35 H new ATOM 0 HD3 ARG A 36 -7.841 -27.840 -16.613 1.00 62.35 H new ATOM 0 HE ARG A 36 -9.061 -29.244 -14.668 1.00 24.55 H new ATOM 0 HH11 ARG A 36 -10.486 -27.889 -17.640 1.00 61.51 H new ATOM 0 HH12 ARG A 36 -11.739 -29.131 -17.721 1.00 61.51 H new ATOM 0 HH21 ARG A 36 -10.716 -30.765 -14.786 1.00 72.52 H new ATOM 0 HH22 ARG A 36 -11.865 -30.733 -16.127 1.00 72.52 H new ATOM 566 N SER A 37 -12.107 -26.900 -13.717 1.00 34.51 N ATOM 567 CA SER A 37 -13.292 -27.699 -14.081 1.00 0.41 C ATOM 568 C SER A 37 -14.395 -26.826 -14.719 1.00 71.34 C ATOM 569 O SER A 37 -15.071 -27.255 -15.655 1.00 11.22 O ATOM 570 CB SER A 37 -13.839 -28.429 -12.831 1.00 41.33 C ATOM 571 OG SER A 37 -12.836 -29.222 -12.205 1.00 61.22 O ATOM 0 H SER A 37 -11.878 -26.940 -12.724 1.00 34.51 H new ATOM 0 HA SER A 37 -12.986 -28.435 -14.824 1.00 0.41 H new ATOM 0 HB2 SER A 37 -14.221 -27.697 -12.120 1.00 41.33 H new ATOM 0 HB3 SER A 37 -14.678 -29.063 -13.118 1.00 41.33 H new ATOM 0 HG SER A 37 -12.220 -28.641 -11.712 1.00 61.22 H new ATOM 577 N HIS A 38 -14.547 -25.594 -14.195 1.00 54.20 N ATOM 578 CA HIS A 38 -15.572 -24.634 -14.653 1.00 13.30 C ATOM 579 C HIS A 38 -15.161 -23.983 -15.994 1.00 23.23 C ATOM 580 O HIS A 38 -15.832 -24.193 -17.018 1.00 62.41 O ATOM 581 CB HIS A 38 -15.813 -23.541 -13.571 1.00 50.03 C ATOM 582 CG HIS A 38 -16.576 -23.999 -12.351 1.00 25.33 C ATOM 583 ND1 HIS A 38 -17.515 -23.213 -11.714 1.00 61.34 N ATOM 584 CD2 HIS A 38 -16.520 -25.150 -11.637 1.00 30.42 C ATOM 585 CE1 HIS A 38 -17.991 -23.856 -10.669 1.00 63.44 C ATOM 586 NE2 HIS A 38 -17.406 -25.032 -10.601 1.00 24.31 N ATOM 0 H HIS A 38 -13.962 -25.235 -13.441 1.00 54.20 H new ATOM 0 HA HIS A 38 -16.502 -25.181 -14.812 1.00 13.30 H new ATOM 0 HB2 HIS A 38 -14.847 -23.151 -13.250 1.00 50.03 H new ATOM 0 HB3 HIS A 38 -16.355 -22.713 -14.029 1.00 50.03 H new ATOM 0 HD2 HIS A 38 -15.892 -26.003 -11.847 1.00 30.42 H new ATOM 0 HE1 HIS A 38 -18.736 -23.481 -9.983 1.00 63.44 H new ATOM 0 HE2 HIS A 38 -17.584 -25.742 -9.890 1.00 24.31 H new ATOM 595 N THR A 39 -14.051 -23.197 -15.948 1.00 14.23 N ATOM 596 CA THR A 39 -13.512 -22.404 -17.088 1.00 74.40 C ATOM 597 C THR A 39 -14.445 -21.223 -17.477 1.00 30.24 C ATOM 598 O THR A 39 -15.674 -21.322 -17.382 1.00 40.54 O ATOM 599 CB THR A 39 -13.180 -23.306 -18.338 1.00 34.21 C ATOM 600 OG1 THR A 39 -12.353 -24.402 -17.913 1.00 74.24 O ATOM 601 CG2 THR A 39 -12.446 -22.544 -19.461 1.00 34.22 C ATOM 0 H THR A 39 -13.494 -23.095 -15.100 1.00 14.23 H new ATOM 0 HA THR A 39 -12.573 -21.973 -16.741 1.00 74.40 H new ATOM 0 HB THR A 39 -14.131 -23.649 -18.746 1.00 34.21 H new ATOM 0 HG1 THR A 39 -12.142 -24.970 -18.683 1.00 74.24 H new ATOM 0 HG21 THR A 39 -12.247 -23.222 -20.291 1.00 34.22 H new ATOM 0 HG22 THR A 39 -13.068 -21.719 -19.807 1.00 34.22 H new ATOM 0 HG23 THR A 39 -11.503 -22.152 -19.079 1.00 34.22 H new ATOM 609 N GLY A 40 -13.843 -20.093 -17.877 1.00 52.13 N ATOM 610 CA GLY A 40 -14.589 -18.910 -18.303 1.00 34.23 C ATOM 611 C GLY A 40 -13.758 -18.041 -19.239 1.00 42.43 C ATOM 612 O GLY A 40 -13.366 -18.495 -20.321 1.00 33.13 O ATOM 0 H GLY A 40 -12.830 -19.978 -17.913 1.00 52.13 H new ATOM 0 HA2 GLY A 40 -15.506 -19.217 -18.806 1.00 34.23 H new ATOM 0 HA3 GLY A 40 -14.884 -18.329 -17.429 1.00 34.23 H new ATOM 616 N GLU A 41 -13.468 -16.803 -18.811 1.00 62.52 N ATOM 617 CA GLU A 41 -12.667 -15.849 -19.595 1.00 72.31 C ATOM 618 C GLU A 41 -11.164 -16.144 -19.429 1.00 24.52 C ATOM 619 O GLU A 41 -10.693 -16.447 -18.327 1.00 22.42 O ATOM 620 CB GLU A 41 -12.983 -14.401 -19.154 1.00 4.12 C ATOM 621 CG GLU A 41 -12.193 -13.300 -19.901 1.00 13.41 C ATOM 622 CD GLU A 41 -12.452 -13.279 -21.422 1.00 62.34 C ATOM 623 OE1 GLU A 41 -13.459 -12.675 -21.853 1.00 54.34 O ATOM 624 OE2 GLU A 41 -11.666 -13.873 -22.195 1.00 43.35 O ATOM 0 H GLU A 41 -13.781 -16.435 -17.913 1.00 62.52 H new ATOM 0 HA GLU A 41 -12.925 -15.959 -20.648 1.00 72.31 H new ATOM 0 HB2 GLU A 41 -14.049 -14.220 -19.293 1.00 4.12 H new ATOM 0 HB3 GLU A 41 -12.781 -14.311 -18.087 1.00 4.12 H new ATOM 0 HG2 GLU A 41 -12.456 -12.328 -19.483 1.00 13.41 H new ATOM 0 HG3 GLU A 41 -11.127 -13.446 -19.724 1.00 13.41 H new ATOM 631 N ARG A 42 -10.427 -16.038 -20.544 1.00 60.14 N ATOM 632 CA ARG A 42 -8.977 -16.258 -20.591 1.00 12.23 C ATOM 633 C ARG A 42 -8.235 -14.945 -20.264 1.00 51.15 C ATOM 634 O ARG A 42 -8.635 -13.877 -20.742 1.00 74.30 O ATOM 635 CB ARG A 42 -8.585 -16.793 -21.994 1.00 4.43 C ATOM 636 CG ARG A 42 -9.264 -18.133 -22.340 1.00 72.01 C ATOM 637 CD ARG A 42 -8.972 -18.622 -23.769 1.00 41.42 C ATOM 638 NE ARG A 42 -9.603 -19.934 -24.011 1.00 24.32 N ATOM 639 CZ ARG A 42 -9.906 -20.457 -25.210 1.00 35.42 C ATOM 640 NH1 ARG A 42 -9.644 -19.796 -26.338 1.00 74.02 N ATOM 641 NH2 ARG A 42 -10.466 -21.662 -25.274 1.00 24.32 N ATOM 0 H ARG A 42 -10.828 -15.794 -21.450 1.00 60.14 H new ATOM 0 HA ARG A 42 -8.689 -16.999 -19.845 1.00 12.23 H new ATOM 0 HB2 ARG A 42 -8.852 -16.052 -22.747 1.00 4.43 H new ATOM 0 HB3 ARG A 42 -7.503 -16.918 -22.040 1.00 4.43 H new ATOM 0 HG2 ARG A 42 -8.933 -18.892 -21.631 1.00 72.01 H new ATOM 0 HG3 ARG A 42 -10.342 -18.028 -22.214 1.00 72.01 H new ATOM 0 HD2 ARG A 42 -9.345 -17.895 -24.491 1.00 41.42 H new ATOM 0 HD3 ARG A 42 -7.895 -18.698 -23.920 1.00 41.42 H new ATOM 0 HE ARG A 42 -9.830 -20.496 -23.191 1.00 24.32 H new ATOM 0 HH11 ARG A 42 -9.206 -18.876 -26.300 1.00 74.02 H new ATOM 0 HH12 ARG A 42 -9.882 -20.211 -27.239 1.00 74.02 H new ATOM 0 HH21 ARG A 42 -10.661 -22.180 -24.417 1.00 24.32 H new ATOM 0 HH22 ARG A 42 -10.700 -22.068 -26.180 1.00 24.32 H new ATOM 655 N PRO A 43 -7.141 -15.001 -19.438 1.00 55.13 N ATOM 656 CA PRO A 43 -6.387 -13.794 -19.020 1.00 62.14 C ATOM 657 C PRO A 43 -5.447 -13.249 -20.111 1.00 1.13 C ATOM 658 O PRO A 43 -4.848 -12.195 -19.914 1.00 35.35 O ATOM 659 CB PRO A 43 -5.601 -14.299 -17.793 1.00 53.20 C ATOM 660 CG PRO A 43 -5.321 -15.736 -18.106 1.00 5.32 C ATOM 661 CD PRO A 43 -6.556 -16.239 -18.832 1.00 63.44 C ATOM 0 HA PRO A 43 -7.043 -12.949 -18.811 1.00 62.14 H new ATOM 0 HB2 PRO A 43 -4.679 -13.735 -17.650 1.00 53.20 H new ATOM 0 HB3 PRO A 43 -6.183 -14.196 -16.877 1.00 53.20 H new ATOM 0 HG2 PRO A 43 -4.432 -15.836 -18.728 1.00 5.32 H new ATOM 0 HG3 PRO A 43 -5.140 -16.308 -17.196 1.00 5.32 H new ATOM 0 HD2 PRO A 43 -6.300 -16.975 -19.594 1.00 63.44 H new ATOM 0 HD3 PRO A 43 -7.255 -16.719 -18.147 1.00 63.44 H new ATOM 669 N PHE A 44 -5.323 -13.993 -21.239 1.00 52.30 N ATOM 670 CA PHE A 44 -4.480 -13.629 -22.395 1.00 12.05 C ATOM 671 C PHE A 44 -3.037 -13.358 -21.956 1.00 72.34 C ATOM 672 O PHE A 44 -2.496 -12.254 -22.117 1.00 23.53 O ATOM 673 CB PHE A 44 -5.104 -12.448 -23.207 1.00 51.41 C ATOM 674 CG PHE A 44 -6.527 -12.739 -23.694 1.00 2.45 C ATOM 675 CD1 PHE A 44 -6.812 -13.926 -24.374 1.00 42.52 C ATOM 676 CD2 PHE A 44 -7.578 -11.850 -23.455 1.00 22.11 C ATOM 677 CE1 PHE A 44 -8.094 -14.211 -24.787 1.00 30.55 C ATOM 678 CE2 PHE A 44 -8.858 -12.137 -23.876 1.00 35.13 C ATOM 679 CZ PHE A 44 -9.115 -13.319 -24.539 1.00 22.34 C ATOM 0 H PHE A 44 -5.816 -14.876 -21.368 1.00 52.30 H new ATOM 0 HA PHE A 44 -4.445 -14.479 -23.077 1.00 12.05 H new ATOM 0 HB2 PHE A 44 -5.115 -11.553 -22.585 1.00 51.41 H new ATOM 0 HB3 PHE A 44 -4.470 -12.231 -24.066 1.00 51.41 H new ATOM 0 HD1 PHE A 44 -6.017 -14.628 -24.578 1.00 42.52 H new ATOM 0 HD2 PHE A 44 -7.384 -10.925 -22.933 1.00 22.11 H new ATOM 0 HE1 PHE A 44 -8.300 -15.135 -25.306 1.00 30.55 H new ATOM 0 HE2 PHE A 44 -9.659 -11.438 -23.687 1.00 35.13 H new ATOM 0 HZ PHE A 44 -10.119 -13.546 -24.865 1.00 22.34 H new ATOM 689 N HIS A 45 -2.428 -14.405 -21.387 1.00 12.34 N ATOM 690 CA HIS A 45 -1.102 -14.342 -20.775 1.00 3.45 C ATOM 691 C HIS A 45 -0.046 -14.627 -21.847 1.00 44.12 C ATOM 692 O HIS A 45 0.060 -15.756 -22.338 1.00 4.54 O ATOM 693 CB HIS A 45 -0.995 -15.365 -19.607 1.00 30.20 C ATOM 694 CG HIS A 45 0.328 -15.366 -18.851 1.00 73.32 C ATOM 695 ND1 HIS A 45 0.483 -14.814 -17.596 1.00 23.23 N ATOM 696 CD2 HIS A 45 1.549 -15.885 -19.170 1.00 30.03 C ATOM 697 CE1 HIS A 45 1.724 -14.999 -17.183 1.00 21.24 C ATOM 698 NE2 HIS A 45 2.382 -15.644 -18.117 1.00 50.51 N ATOM 0 H HIS A 45 -2.851 -15.332 -21.340 1.00 12.34 H new ATOM 0 HA HIS A 45 -0.935 -13.347 -20.362 1.00 3.45 H new ATOM 0 HB2 HIS A 45 -1.798 -15.164 -18.898 1.00 30.20 H new ATOM 0 HB3 HIS A 45 -1.165 -16.365 -20.007 1.00 30.20 H new ATOM 0 HD2 HIS A 45 1.808 -16.393 -20.087 1.00 30.03 H new ATOM 0 HE1 HIS A 45 2.129 -14.674 -16.236 1.00 21.24 H new ATOM 0 HE2 HIS A 45 3.362 -15.922 -18.064 1.00 50.51 H new ATOM 707 N CYS A 46 0.695 -13.576 -22.217 1.00 53.35 N ATOM 708 CA CYS A 46 1.897 -13.681 -23.042 1.00 5.04 C ATOM 709 C CYS A 46 2.957 -14.509 -22.297 1.00 23.34 C ATOM 710 O CYS A 46 3.604 -14.007 -21.365 1.00 31.21 O ATOM 711 CB CYS A 46 2.437 -12.273 -23.368 1.00 5.41 C ATOM 712 SG CYS A 46 4.055 -12.261 -24.209 1.00 1.34 S ATOM 0 H CYS A 46 0.471 -12.618 -21.947 1.00 53.35 H new ATOM 0 HA CYS A 46 1.654 -14.180 -23.980 1.00 5.04 H new ATOM 0 HB2 CYS A 46 1.711 -11.756 -23.996 1.00 5.41 H new ATOM 0 HB3 CYS A 46 2.519 -11.705 -22.441 1.00 5.41 H new ATOM 0 HG CYS A 46 4.656 -11.132 -23.978 1.00 1.34 H new ATOM 717 N ASN A 47 3.053 -15.805 -22.655 1.00 22.24 N ATOM 718 CA ASN A 47 4.017 -16.744 -22.058 1.00 13.03 C ATOM 719 C ASN A 47 5.439 -16.467 -22.616 1.00 51.41 C ATOM 720 O ASN A 47 5.907 -17.154 -23.540 1.00 12.41 O ATOM 721 CB ASN A 47 3.581 -18.217 -22.322 1.00 74.22 C ATOM 722 CG ASN A 47 4.488 -19.264 -21.656 1.00 10.33 C ATOM 723 OD1 ASN A 47 5.001 -19.053 -20.559 1.00 32.13 O ATOM 724 ND2 ASN A 47 4.701 -20.393 -22.320 1.00 30.42 N ATOM 0 H ASN A 47 2.461 -16.229 -23.369 1.00 22.24 H new ATOM 0 HA ASN A 47 4.038 -16.595 -20.978 1.00 13.03 H new ATOM 0 HB2 ASN A 47 2.561 -18.353 -21.963 1.00 74.22 H new ATOM 0 HB3 ASN A 47 3.567 -18.394 -23.397 1.00 74.22 H new ATOM 0 HD21 ASN A 47 5.304 -21.113 -21.922 1.00 30.42 H new ATOM 0 HD22 ASN A 47 4.262 -20.541 -23.229 1.00 30.42 H new ATOM 731 N GLN A 48 6.065 -15.404 -22.062 1.00 25.11 N ATOM 732 CA GLN A 48 7.439 -14.953 -22.363 1.00 3.01 C ATOM 733 C GLN A 48 7.673 -13.609 -21.634 1.00 54.33 C ATOM 734 O GLN A 48 8.750 -13.357 -21.067 1.00 73.03 O ATOM 735 CB GLN A 48 7.708 -14.769 -23.892 1.00 54.12 C ATOM 736 CG GLN A 48 9.171 -14.471 -24.262 1.00 2.00 C ATOM 737 CD GLN A 48 10.159 -15.508 -23.710 1.00 33.33 C ATOM 738 OE1 GLN A 48 10.737 -15.334 -22.638 1.00 41.43 O ATOM 739 NE2 GLN A 48 10.308 -16.620 -24.404 1.00 74.44 N ATOM 0 H GLN A 48 5.607 -14.815 -21.366 1.00 25.11 H new ATOM 0 HA GLN A 48 8.127 -15.725 -22.020 1.00 3.01 H new ATOM 0 HB2 GLN A 48 7.394 -15.674 -24.413 1.00 54.12 H new ATOM 0 HB3 GLN A 48 7.083 -13.956 -24.261 1.00 54.12 H new ATOM 0 HG2 GLN A 48 9.264 -14.433 -25.347 1.00 2.00 H new ATOM 0 HG3 GLN A 48 9.441 -13.485 -23.884 1.00 2.00 H new ATOM 0 HE21 GLN A 48 9.817 -16.738 -25.290 1.00 74.44 H new ATOM 0 HE22 GLN A 48 10.915 -17.362 -24.055 1.00 74.44 H new ATOM 748 N CYS A 49 6.645 -12.736 -21.670 1.00 42.32 N ATOM 749 CA CYS A 49 6.656 -11.439 -20.975 1.00 2.43 C ATOM 750 C CYS A 49 6.157 -11.585 -19.530 1.00 35.20 C ATOM 751 O CYS A 49 6.729 -11.004 -18.600 1.00 51.34 O ATOM 752 CB CYS A 49 5.790 -10.429 -21.754 1.00 32.24 C ATOM 753 SG CYS A 49 6.428 -10.029 -23.400 1.00 32.14 S ATOM 0 H CYS A 49 5.783 -12.915 -22.185 1.00 42.32 H new ATOM 0 HA CYS A 49 7.681 -11.071 -20.933 1.00 2.43 H new ATOM 0 HB2 CYS A 49 4.782 -10.831 -21.854 1.00 32.24 H new ATOM 0 HB3 CYS A 49 5.710 -9.510 -21.173 1.00 32.24 H new ATOM 0 HG CYS A 49 5.496 -9.451 -24.098 1.00 32.14 H new ATOM 758 N GLY A 50 5.103 -12.389 -19.358 1.00 34.11 N ATOM 759 CA GLY A 50 4.402 -12.515 -18.075 1.00 74.52 C ATOM 760 C GLY A 50 3.202 -11.582 -17.979 1.00 5.53 C ATOM 761 O GLY A 50 2.505 -11.563 -16.958 1.00 43.33 O ATOM 0 H GLY A 50 4.712 -12.969 -20.101 1.00 34.11 H new ATOM 0 HA2 GLY A 50 4.070 -13.545 -17.944 1.00 74.52 H new ATOM 0 HA3 GLY A 50 5.095 -12.298 -17.262 1.00 74.52 H new ATOM 765 N ALA A 51 2.969 -10.808 -19.051 1.00 32.45 N ATOM 766 CA ALA A 51 1.864 -9.842 -19.140 1.00 24.20 C ATOM 767 C ALA A 51 0.554 -10.559 -19.497 1.00 31.45 C ATOM 768 O ALA A 51 0.574 -11.603 -20.151 1.00 64.34 O ATOM 769 CB ALA A 51 2.198 -8.754 -20.185 1.00 33.03 C ATOM 0 H ALA A 51 3.549 -10.836 -19.889 1.00 32.45 H new ATOM 0 HA ALA A 51 1.733 -9.362 -18.170 1.00 24.20 H new ATOM 0 HB1 ALA A 51 1.375 -8.042 -20.245 1.00 33.03 H new ATOM 0 HB2 ALA A 51 3.108 -8.232 -19.889 1.00 33.03 H new ATOM 0 HB3 ALA A 51 2.347 -9.219 -21.159 1.00 33.03 H new ATOM 775 N SER A 52 -0.570 -9.976 -19.060 1.00 21.51 N ATOM 776 CA SER A 52 -1.922 -10.502 -19.314 1.00 43.42 C ATOM 777 C SER A 52 -2.853 -9.359 -19.764 1.00 71.24 C ATOM 778 O SER A 52 -2.698 -8.212 -19.316 1.00 14.31 O ATOM 779 CB SER A 52 -2.458 -11.206 -18.042 1.00 51.25 C ATOM 780 OG SER A 52 -2.456 -10.342 -16.915 1.00 65.24 O ATOM 0 H SER A 52 -0.568 -9.115 -18.513 1.00 21.51 H new ATOM 0 HA SER A 52 -1.885 -11.239 -20.116 1.00 43.42 H new ATOM 0 HB2 SER A 52 -3.472 -11.562 -18.224 1.00 51.25 H new ATOM 0 HB3 SER A 52 -1.847 -12.083 -17.828 1.00 51.25 H new ATOM 0 HG SER A 52 -2.802 -10.822 -16.134 1.00 65.24 H new ATOM 786 N PHE A 53 -3.811 -9.676 -20.655 1.00 11.21 N ATOM 787 CA PHE A 53 -4.714 -8.678 -21.276 1.00 32.00 C ATOM 788 C PHE A 53 -6.178 -9.103 -21.129 1.00 35.31 C ATOM 789 O PHE A 53 -6.480 -10.282 -20.976 1.00 4.42 O ATOM 790 CB PHE A 53 -4.335 -8.500 -22.771 1.00 14.33 C ATOM 791 CG PHE A 53 -2.882 -8.070 -22.958 1.00 64.21 C ATOM 792 CD1 PHE A 53 -2.498 -6.746 -22.724 1.00 22.01 C ATOM 793 CD2 PHE A 53 -1.895 -8.989 -23.318 1.00 53.11 C ATOM 794 CE1 PHE A 53 -1.180 -6.359 -22.847 1.00 14.12 C ATOM 795 CE2 PHE A 53 -0.576 -8.601 -23.432 1.00 63.34 C ATOM 796 CZ PHE A 53 -0.220 -7.284 -23.204 1.00 51.44 C ATOM 0 H PHE A 53 -3.984 -10.631 -20.968 1.00 11.21 H new ATOM 0 HA PHE A 53 -4.597 -7.723 -20.764 1.00 32.00 H new ATOM 0 HB2 PHE A 53 -4.504 -9.438 -23.300 1.00 14.33 H new ATOM 0 HB3 PHE A 53 -4.992 -7.757 -23.223 1.00 14.33 H new ATOM 0 HD1 PHE A 53 -3.243 -6.017 -22.443 1.00 22.01 H new ATOM 0 HD2 PHE A 53 -2.167 -10.016 -23.510 1.00 53.11 H new ATOM 0 HE1 PHE A 53 -0.899 -5.332 -22.664 1.00 14.12 H new ATOM 0 HE2 PHE A 53 0.179 -9.326 -23.699 1.00 63.34 H new ATOM 0 HZ PHE A 53 0.811 -6.979 -23.306 1.00 51.44 H new ATOM 806 N THR A 54 -7.090 -8.123 -21.156 1.00 1.14 N ATOM 807 CA THR A 54 -8.548 -8.376 -21.070 1.00 52.32 C ATOM 808 C THR A 54 -9.195 -8.362 -22.469 1.00 1.14 C ATOM 809 O THR A 54 -10.329 -8.814 -22.639 1.00 0.31 O ATOM 810 CB THR A 54 -9.244 -7.339 -20.121 1.00 54.10 C ATOM 811 OG1 THR A 54 -10.629 -7.663 -19.915 1.00 61.23 O ATOM 812 CG2 THR A 54 -9.143 -5.900 -20.647 1.00 20.20 C ATOM 0 H THR A 54 -6.848 -7.135 -21.237 1.00 1.14 H new ATOM 0 HA THR A 54 -8.690 -9.369 -20.644 1.00 52.32 H new ATOM 0 HB THR A 54 -8.709 -7.399 -19.173 1.00 54.10 H new ATOM 0 HG1 THR A 54 -11.015 -7.995 -20.752 1.00 61.23 H new ATOM 0 HG21 THR A 54 -9.641 -5.223 -19.953 1.00 20.20 H new ATOM 0 HG22 THR A 54 -8.094 -5.619 -20.739 1.00 20.20 H new ATOM 0 HG23 THR A 54 -9.623 -5.835 -21.624 1.00 20.20 H new ATOM 820 N GLN A 55 -8.458 -7.845 -23.464 1.00 34.41 N ATOM 821 CA GLN A 55 -8.942 -7.706 -24.855 1.00 13.14 C ATOM 822 C GLN A 55 -8.084 -8.544 -25.807 1.00 51.34 C ATOM 823 O GLN A 55 -6.894 -8.777 -25.542 1.00 74.53 O ATOM 824 CB GLN A 55 -8.909 -6.211 -25.294 1.00 62.00 C ATOM 825 CG GLN A 55 -9.821 -5.271 -24.474 1.00 65.20 C ATOM 826 CD GLN A 55 -11.314 -5.582 -24.627 1.00 35.55 C ATOM 827 OE1 GLN A 55 -11.890 -6.374 -23.881 1.00 34.31 O ATOM 828 NE2 GLN A 55 -11.950 -4.958 -25.602 1.00 34.33 N ATOM 0 H GLN A 55 -7.504 -7.509 -23.330 1.00 34.41 H new ATOM 0 HA GLN A 55 -9.970 -8.066 -24.897 1.00 13.14 H new ATOM 0 HB2 GLN A 55 -7.883 -5.850 -25.224 1.00 62.00 H new ATOM 0 HB3 GLN A 55 -9.198 -6.149 -26.343 1.00 62.00 H new ATOM 0 HG2 GLN A 55 -9.549 -5.342 -23.421 1.00 65.20 H new ATOM 0 HG3 GLN A 55 -9.639 -4.241 -24.782 1.00 65.20 H new ATOM 0 HE21 GLN A 55 -11.447 -4.307 -26.205 1.00 34.33 H new ATOM 0 HE22 GLN A 55 -12.945 -5.127 -25.752 1.00 34.33 H new ATOM 837 N LYS A 56 -8.708 -8.970 -26.920 1.00 23.11 N ATOM 838 CA LYS A 56 -8.029 -9.669 -28.023 1.00 23.14 C ATOM 839 C LYS A 56 -6.967 -8.767 -28.639 1.00 14.20 C ATOM 840 O LYS A 56 -5.800 -9.120 -28.629 1.00 23.34 O ATOM 841 CB LYS A 56 -9.062 -10.099 -29.102 1.00 73.04 C ATOM 842 CG LYS A 56 -10.104 -11.128 -28.630 1.00 1.15 C ATOM 843 CD LYS A 56 -9.487 -12.506 -28.304 1.00 41.32 C ATOM 844 CE LYS A 56 -10.544 -13.513 -27.821 1.00 2.41 C ATOM 845 NZ LYS A 56 -11.623 -13.739 -28.818 1.00 2.31 N ATOM 0 H LYS A 56 -9.707 -8.837 -27.079 1.00 23.11 H new ATOM 0 HA LYS A 56 -7.544 -10.562 -27.629 1.00 23.14 H new ATOM 0 HB2 LYS A 56 -9.585 -9.211 -29.457 1.00 73.04 H new ATOM 0 HB3 LYS A 56 -8.524 -10.514 -29.954 1.00 73.04 H new ATOM 0 HG2 LYS A 56 -10.610 -10.744 -27.744 1.00 1.15 H new ATOM 0 HG3 LYS A 56 -10.863 -11.250 -29.403 1.00 1.15 H new ATOM 0 HD2 LYS A 56 -8.991 -12.900 -29.191 1.00 41.32 H new ATOM 0 HD3 LYS A 56 -8.722 -12.388 -27.537 1.00 41.32 H new ATOM 0 HE2 LYS A 56 -10.058 -14.463 -27.597 1.00 2.41 H new ATOM 0 HE3 LYS A 56 -10.984 -13.153 -26.891 1.00 2.41 H new ATOM 0 HZ1 LYS A 56 -12.220 -14.532 -28.509 1.00 2.31 H new ATOM 0 HZ2 LYS A 56 -12.204 -12.880 -28.902 1.00 2.31 H new ATOM 0 HZ3 LYS A 56 -11.201 -13.963 -29.742 1.00 2.31 H new ATOM 859 N GLY A 57 -7.401 -7.579 -29.103 1.00 75.21 N ATOM 860 CA GLY A 57 -6.549 -6.646 -29.847 1.00 63.32 C ATOM 861 C GLY A 57 -5.270 -6.230 -29.126 1.00 52.04 C ATOM 862 O GLY A 57 -4.279 -5.895 -29.776 1.00 24.10 O ATOM 0 H GLY A 57 -8.355 -7.244 -28.969 1.00 75.21 H new ATOM 0 HA2 GLY A 57 -6.280 -7.103 -30.799 1.00 63.32 H new ATOM 0 HA3 GLY A 57 -7.128 -5.751 -30.075 1.00 63.32 H new ATOM 866 N ASN A 58 -5.296 -6.269 -27.784 1.00 32.31 N ATOM 867 CA ASN A 58 -4.129 -5.943 -26.942 1.00 23.12 C ATOM 868 C ASN A 58 -3.108 -7.091 -26.970 1.00 52.14 C ATOM 869 O ASN A 58 -1.901 -6.851 -27.074 1.00 41.31 O ATOM 870 CB ASN A 58 -4.571 -5.630 -25.493 1.00 71.45 C ATOM 871 CG ASN A 58 -5.533 -4.441 -25.398 1.00 34.42 C ATOM 872 OD1 ASN A 58 -5.542 -3.543 -26.254 1.00 4.33 O ATOM 873 ND2 ASN A 58 -6.338 -4.409 -24.343 1.00 42.43 N ATOM 0 H ASN A 58 -6.126 -6.527 -27.250 1.00 32.31 H new ATOM 0 HA ASN A 58 -3.649 -5.052 -27.347 1.00 23.12 H new ATOM 0 HB2 ASN A 58 -5.051 -6.512 -25.068 1.00 71.45 H new ATOM 0 HB3 ASN A 58 -3.688 -5.424 -24.887 1.00 71.45 H new ATOM 0 HD21 ASN A 58 -6.987 -3.631 -24.220 1.00 42.43 H new ATOM 0 HD22 ASN A 58 -6.308 -5.162 -23.656 1.00 42.43 H new ATOM 880 N LEU A 59 -3.614 -8.343 -26.905 1.00 31.32 N ATOM 881 CA LEU A 59 -2.776 -9.555 -27.015 1.00 15.30 C ATOM 882 C LEU A 59 -2.235 -9.701 -28.453 1.00 13.44 C ATOM 883 O LEU A 59 -1.082 -10.071 -28.648 1.00 62.40 O ATOM 884 CB LEU A 59 -3.580 -10.831 -26.634 1.00 10.04 C ATOM 885 CG LEU A 59 -2.779 -12.181 -26.714 1.00 62.42 C ATOM 886 CD1 LEU A 59 -1.659 -12.240 -25.654 1.00 44.44 C ATOM 887 CD2 LEU A 59 -3.713 -13.411 -26.632 1.00 73.51 C ATOM 0 H LEU A 59 -4.607 -8.539 -26.776 1.00 31.32 H new ATOM 0 HA LEU A 59 -1.943 -9.448 -26.320 1.00 15.30 H new ATOM 0 HB2 LEU A 59 -3.958 -10.712 -25.619 1.00 10.04 H new ATOM 0 HB3 LEU A 59 -4.447 -10.903 -27.291 1.00 10.04 H new ATOM 0 HG LEU A 59 -2.299 -12.212 -27.692 1.00 62.42 H new ATOM 0 HD11 LEU A 59 -1.127 -13.187 -25.739 1.00 44.44 H new ATOM 0 HD12 LEU A 59 -0.963 -11.417 -25.814 1.00 44.44 H new ATOM 0 HD13 LEU A 59 -2.095 -12.157 -24.659 1.00 44.44 H new ATOM 0 HD21 LEU A 59 -3.119 -14.323 -26.691 1.00 73.51 H new ATOM 0 HD22 LEU A 59 -4.257 -13.392 -25.688 1.00 73.51 H new ATOM 0 HD23 LEU A 59 -4.422 -13.385 -27.460 1.00 73.51 H new ATOM 899 N LEU A 60 -3.095 -9.378 -29.438 1.00 51.23 N ATOM 900 CA LEU A 60 -2.789 -9.496 -30.876 1.00 41.13 C ATOM 901 C LEU A 60 -1.681 -8.516 -31.282 1.00 60.33 C ATOM 902 O LEU A 60 -0.783 -8.863 -32.048 1.00 62.25 O ATOM 903 CB LEU A 60 -4.081 -9.247 -31.711 1.00 32.32 C ATOM 904 CG LEU A 60 -5.234 -10.281 -31.524 1.00 3.11 C ATOM 905 CD1 LEU A 60 -6.496 -9.856 -32.308 1.00 53.14 C ATOM 906 CD2 LEU A 60 -4.779 -11.700 -31.909 1.00 12.44 C ATOM 0 H LEU A 60 -4.034 -9.023 -29.255 1.00 51.23 H new ATOM 0 HA LEU A 60 -2.428 -10.505 -31.076 1.00 41.13 H new ATOM 0 HB2 LEU A 60 -4.465 -8.258 -31.461 1.00 32.32 H new ATOM 0 HB3 LEU A 60 -3.808 -9.226 -32.766 1.00 32.32 H new ATOM 0 HG LEU A 60 -5.497 -10.300 -30.466 1.00 3.11 H new ATOM 0 HD11 LEU A 60 -7.283 -10.595 -32.159 1.00 53.14 H new ATOM 0 HD12 LEU A 60 -6.838 -8.885 -31.949 1.00 53.14 H new ATOM 0 HD13 LEU A 60 -6.259 -9.787 -33.370 1.00 53.14 H new ATOM 0 HD21 LEU A 60 -5.605 -12.398 -31.768 1.00 12.44 H new ATOM 0 HD22 LEU A 60 -4.469 -11.712 -32.954 1.00 12.44 H new ATOM 0 HD23 LEU A 60 -3.941 -11.997 -31.278 1.00 12.44 H new ATOM 918 N ARG A 61 -1.758 -7.295 -30.733 1.00 45.41 N ATOM 919 CA ARG A 61 -0.749 -6.242 -30.943 1.00 74.54 C ATOM 920 C ARG A 61 0.549 -6.592 -30.189 1.00 13.54 C ATOM 921 O ARG A 61 1.647 -6.271 -30.651 1.00 42.21 O ATOM 922 CB ARG A 61 -1.331 -4.863 -30.504 1.00 42.33 C ATOM 923 CG ARG A 61 -0.357 -3.643 -30.564 1.00 65.23 C ATOM 924 CD ARG A 61 0.387 -3.385 -29.233 1.00 54.41 C ATOM 925 NE ARG A 61 1.383 -2.312 -29.336 1.00 50.30 N ATOM 926 CZ ARG A 61 1.645 -1.409 -28.376 1.00 14.22 C ATOM 927 NH1 ARG A 61 0.982 -1.420 -27.209 1.00 4.12 N ATOM 928 NH2 ARG A 61 2.588 -0.502 -28.578 1.00 21.14 N ATOM 0 H ARG A 61 -2.526 -7.007 -30.127 1.00 45.41 H new ATOM 0 HA ARG A 61 -0.499 -6.175 -32.002 1.00 74.54 H new ATOM 0 HB2 ARG A 61 -2.194 -4.642 -31.132 1.00 42.33 H new ATOM 0 HB3 ARG A 61 -1.697 -4.957 -29.482 1.00 42.33 H new ATOM 0 HG2 ARG A 61 0.375 -3.810 -31.354 1.00 65.23 H new ATOM 0 HG3 ARG A 61 -0.921 -2.750 -30.835 1.00 65.23 H new ATOM 0 HD2 ARG A 61 -0.338 -3.128 -28.461 1.00 54.41 H new ATOM 0 HD3 ARG A 61 0.881 -4.303 -28.914 1.00 54.41 H new ATOM 0 HE ARG A 61 1.917 -2.247 -30.202 1.00 50.30 H new ATOM 0 HH11 ARG A 61 0.263 -2.123 -27.037 1.00 4.12 H new ATOM 0 HH12 ARG A 61 1.197 -0.725 -26.494 1.00 4.12 H new ATOM 0 HH21 ARG A 61 3.108 -0.493 -29.456 1.00 21.14 H new ATOM 0 HH22 ARG A 61 2.795 0.188 -27.856 1.00 21.14 H new ATOM 942 N HIS A 62 0.410 -7.252 -29.034 1.00 51.41 N ATOM 943 CA HIS A 62 1.549 -7.638 -28.195 1.00 44.32 C ATOM 944 C HIS A 62 2.403 -8.722 -28.888 1.00 4.32 C ATOM 945 O HIS A 62 3.614 -8.566 -29.033 1.00 1.25 O ATOM 946 CB HIS A 62 1.032 -8.115 -26.816 1.00 21.20 C ATOM 947 CG HIS A 62 2.106 -8.351 -25.798 1.00 44.20 C ATOM 948 ND1 HIS A 62 2.520 -7.393 -24.897 1.00 51.02 N ATOM 949 CD2 HIS A 62 2.858 -9.439 -25.557 1.00 31.34 C ATOM 950 CE1 HIS A 62 3.485 -7.921 -24.143 1.00 45.11 C ATOM 951 NE2 HIS A 62 3.744 -9.165 -24.513 1.00 74.44 N ATOM 0 H HIS A 62 -0.494 -7.533 -28.655 1.00 51.41 H new ATOM 0 HA HIS A 62 2.195 -6.773 -28.044 1.00 44.32 H new ATOM 0 HB2 HIS A 62 0.336 -7.372 -26.426 1.00 21.20 H new ATOM 0 HB3 HIS A 62 0.469 -9.038 -26.953 1.00 21.20 H new ATOM 0 HD1 HIS A 62 2.152 -6.445 -24.820 1.00 51.02 H new ATOM 0 HD2 HIS A 62 2.788 -10.377 -26.087 1.00 31.34 H new ATOM 0 HE1 HIS A 62 3.987 -7.403 -23.339 1.00 45.11 H new ATOM 959 N ILE A 63 1.747 -9.815 -29.324 1.00 4.22 N ATOM 960 CA ILE A 63 2.402 -10.936 -30.050 1.00 0.02 C ATOM 961 C ILE A 63 2.869 -10.493 -31.456 1.00 13.14 C ATOM 962 O ILE A 63 3.750 -11.124 -32.052 1.00 54.12 O ATOM 963 CB ILE A 63 1.490 -12.223 -30.129 1.00 12.41 C ATOM 964 CG1 ILE A 63 0.216 -11.966 -30.989 1.00 32.24 C ATOM 965 CG2 ILE A 63 1.120 -12.712 -28.702 1.00 24.30 C ATOM 966 CD1 ILE A 63 -0.742 -13.146 -31.106 1.00 1.42 C ATOM 0 H ILE A 63 0.746 -9.952 -29.186 1.00 4.22 H new ATOM 0 HA ILE A 63 3.283 -11.213 -29.470 1.00 0.02 H new ATOM 0 HB ILE A 63 2.057 -13.012 -30.623 1.00 12.41 H new ATOM 0 HG12 ILE A 63 -0.325 -11.121 -30.563 1.00 32.24 H new ATOM 0 HG13 ILE A 63 0.528 -11.672 -31.991 1.00 32.24 H new ATOM 0 HG21 ILE A 63 0.491 -13.600 -28.773 1.00 24.30 H new ATOM 0 HG22 ILE A 63 2.030 -12.955 -28.153 1.00 24.30 H new ATOM 0 HG23 ILE A 63 0.579 -11.925 -28.177 1.00 24.30 H new ATOM 0 HD11 ILE A 63 -1.594 -12.863 -31.724 1.00 1.42 H new ATOM 0 HD12 ILE A 63 -0.226 -13.990 -31.564 1.00 1.42 H new ATOM 0 HD13 ILE A 63 -1.092 -13.430 -30.114 1.00 1.42 H new ATOM 978 N LYS A 64 2.217 -9.440 -31.987 1.00 73.32 N ATOM 979 CA LYS A 64 2.678 -8.716 -33.183 1.00 40.40 C ATOM 980 C LYS A 64 4.090 -8.145 -32.961 1.00 30.15 C ATOM 981 O LYS A 64 4.942 -8.239 -33.842 1.00 1.41 O ATOM 982 CB LYS A 64 1.636 -7.616 -33.588 1.00 43.43 C ATOM 983 CG LYS A 64 2.096 -6.507 -34.581 1.00 32.22 C ATOM 984 CD LYS A 64 2.705 -5.258 -33.890 1.00 53.11 C ATOM 985 CE LYS A 64 3.213 -4.194 -34.879 1.00 45.04 C ATOM 986 NZ LYS A 64 2.118 -3.608 -35.699 1.00 43.52 N ATOM 0 H LYS A 64 1.352 -9.068 -31.595 1.00 73.32 H new ATOM 0 HA LYS A 64 2.750 -9.411 -34.019 1.00 40.40 H new ATOM 0 HB2 LYS A 64 0.772 -8.118 -34.024 1.00 43.43 H new ATOM 0 HB3 LYS A 64 1.294 -7.127 -32.676 1.00 43.43 H new ATOM 0 HG2 LYS A 64 2.834 -6.928 -35.264 1.00 32.22 H new ATOM 0 HG3 LYS A 64 1.243 -6.197 -35.184 1.00 32.22 H new ATOM 0 HD2 LYS A 64 1.953 -4.809 -33.241 1.00 53.11 H new ATOM 0 HD3 LYS A 64 3.531 -5.572 -33.252 1.00 53.11 H new ATOM 0 HE2 LYS A 64 3.714 -3.399 -34.327 1.00 45.04 H new ATOM 0 HE3 LYS A 64 3.957 -4.641 -35.538 1.00 45.04 H new ATOM 0 HZ1 LYS A 64 2.510 -2.886 -36.336 1.00 43.52 H new ATOM 0 HZ2 LYS A 64 1.666 -4.357 -36.261 1.00 43.52 H new ATOM 0 HZ3 LYS A 64 1.411 -3.171 -35.073 1.00 43.52 H new ATOM 1000 N LEU A 65 4.320 -7.568 -31.766 1.00 71.10 N ATOM 1001 CA LEU A 65 5.638 -7.027 -31.375 1.00 5.42 C ATOM 1002 C LEU A 65 6.662 -8.159 -31.150 1.00 13.41 C ATOM 1003 O LEU A 65 7.857 -7.969 -31.378 1.00 23.20 O ATOM 1004 CB LEU A 65 5.508 -6.131 -30.110 1.00 54.31 C ATOM 1005 CG LEU A 65 4.637 -4.847 -30.278 1.00 75.21 C ATOM 1006 CD1 LEU A 65 4.509 -4.068 -28.952 1.00 60.43 C ATOM 1007 CD2 LEU A 65 5.185 -3.949 -31.406 1.00 33.41 C ATOM 0 H LEU A 65 3.603 -7.464 -31.048 1.00 71.10 H new ATOM 0 HA LEU A 65 6.006 -6.409 -32.194 1.00 5.42 H new ATOM 0 HB2 LEU A 65 5.086 -6.731 -29.304 1.00 54.31 H new ATOM 0 HB3 LEU A 65 6.508 -5.831 -29.795 1.00 54.31 H new ATOM 0 HG LEU A 65 3.634 -5.166 -30.562 1.00 75.21 H new ATOM 0 HD11 LEU A 65 3.896 -3.181 -29.109 1.00 60.43 H new ATOM 0 HD12 LEU A 65 4.042 -4.704 -28.200 1.00 60.43 H new ATOM 0 HD13 LEU A 65 5.499 -3.768 -28.609 1.00 60.43 H new ATOM 0 HD21 LEU A 65 4.559 -3.062 -31.501 1.00 33.41 H new ATOM 0 HD22 LEU A 65 6.206 -3.649 -31.169 1.00 33.41 H new ATOM 0 HD23 LEU A 65 5.178 -4.501 -32.346 1.00 33.41 H new ATOM 1019 N HIS A 66 6.175 -9.340 -30.709 1.00 52.43 N ATOM 1020 CA HIS A 66 7.011 -10.556 -30.588 1.00 32.12 C ATOM 1021 C HIS A 66 7.456 -11.042 -31.983 1.00 44.13 C ATOM 1022 O HIS A 66 8.608 -11.480 -32.145 1.00 75.34 O ATOM 1023 CB HIS A 66 6.251 -11.700 -29.847 1.00 3.01 C ATOM 1024 CG HIS A 66 6.160 -11.518 -28.361 1.00 74.22 C ATOM 1025 ND1 HIS A 66 6.931 -12.217 -27.463 1.00 43.31 N ATOM 1026 CD2 HIS A 66 5.382 -10.705 -27.623 1.00 74.10 C ATOM 1027 CE1 HIS A 66 6.614 -11.815 -26.236 1.00 71.54 C ATOM 1028 NE2 HIS A 66 5.679 -10.885 -26.278 1.00 61.15 N ATOM 0 H HIS A 66 5.204 -9.477 -30.430 1.00 52.43 H new ATOM 0 HA HIS A 66 7.890 -10.295 -29.999 1.00 32.12 H new ATOM 0 HB2 HIS A 66 5.243 -11.774 -30.255 1.00 3.01 H new ATOM 0 HB3 HIS A 66 6.750 -12.646 -30.056 1.00 3.01 H new ATOM 0 HD1 HIS A 66 7.628 -12.924 -27.698 1.00 43.31 H new ATOM 0 HD2 HIS A 66 4.644 -10.021 -28.014 1.00 74.10 H new ATOM 0 HE1 HIS A 66 7.060 -12.197 -25.330 1.00 71.54 H new ATOM 1036 N SER A 67 6.525 -10.940 -32.963 1.00 12.03 N ATOM 1037 CA SER A 67 6.737 -11.350 -34.367 1.00 51.01 C ATOM 1038 C SER A 67 7.086 -12.855 -34.470 1.00 42.41 C ATOM 1039 O SER A 67 8.258 -13.240 -34.345 1.00 75.42 O ATOM 1040 CB SER A 67 7.818 -10.465 -35.056 1.00 54.42 C ATOM 1041 OG SER A 67 7.485 -9.087 -34.977 1.00 10.05 O ATOM 0 H SER A 67 5.592 -10.564 -32.794 1.00 12.03 H new ATOM 0 HA SER A 67 5.799 -11.197 -34.900 1.00 51.01 H new ATOM 0 HB2 SER A 67 8.785 -10.635 -34.583 1.00 54.42 H new ATOM 0 HB3 SER A 67 7.918 -10.758 -36.101 1.00 54.42 H new ATOM 0 HG SER A 67 6.598 -8.987 -34.572 1.00 10.05 H new ATOM 1047 N GLY A 68 6.058 -13.696 -34.679 1.00 75.42 N ATOM 1048 CA GLY A 68 6.246 -15.142 -34.754 1.00 12.53 C ATOM 1049 C GLY A 68 4.949 -15.879 -35.032 1.00 35.41 C ATOM 1050 O GLY A 68 4.876 -16.715 -35.940 1.00 22.44 O ATOM 0 H GLY A 68 5.092 -13.392 -34.798 1.00 75.42 H new ATOM 0 HA2 GLY A 68 6.967 -15.372 -35.538 1.00 12.53 H new ATOM 0 HA3 GLY A 68 6.671 -15.500 -33.816 1.00 12.53 H new ATOM 1054 N GLU A 69 3.898 -15.545 -34.255 1.00 1.32 N ATOM 1055 CA GLU A 69 2.560 -16.166 -34.380 1.00 0.10 C ATOM 1056 C GLU A 69 1.740 -15.584 -35.553 1.00 31.03 C ATOM 1057 O GLU A 69 0.593 -15.989 -35.785 1.00 64.44 O ATOM 1058 CB GLU A 69 1.802 -16.009 -33.032 1.00 31.44 C ATOM 1059 CG GLU A 69 2.481 -16.723 -31.845 1.00 21.13 C ATOM 1060 CD GLU A 69 2.619 -18.242 -32.068 1.00 52.03 C ATOM 1061 OE1 GLU A 69 1.629 -18.970 -31.858 1.00 11.25 O ATOM 1062 OE2 GLU A 69 3.704 -18.713 -32.481 1.00 64.40 O ATOM 0 H GLU A 69 3.952 -14.837 -33.523 1.00 1.32 H new ATOM 0 HA GLU A 69 2.695 -17.224 -34.607 1.00 0.10 H new ATOM 0 HB2 GLU A 69 1.710 -14.948 -32.800 1.00 31.44 H new ATOM 0 HB3 GLU A 69 0.791 -16.399 -33.148 1.00 31.44 H new ATOM 0 HG2 GLU A 69 3.469 -16.292 -31.683 1.00 21.13 H new ATOM 0 HG3 GLU A 69 1.903 -16.544 -30.939 1.00 21.13 H new ATOM 1069 N LYS A 70 2.355 -14.663 -36.300 1.00 22.42 N ATOM 1070 CA LYS A 70 1.751 -13.979 -37.456 1.00 11.23 C ATOM 1071 C LYS A 70 2.698 -14.088 -38.674 1.00 65.24 C ATOM 1072 O LYS A 70 3.891 -14.374 -38.494 1.00 24.41 O ATOM 1073 CB LYS A 70 1.488 -12.487 -37.094 1.00 62.44 C ATOM 1074 CG LYS A 70 2.753 -11.680 -36.718 1.00 61.33 C ATOM 1075 CD LYS A 70 2.445 -10.217 -36.341 1.00 62.22 C ATOM 1076 CE LYS A 70 1.862 -9.394 -37.499 1.00 75.21 C ATOM 1077 NZ LYS A 70 2.801 -9.305 -38.645 1.00 52.13 N ATOM 0 H LYS A 70 3.312 -14.362 -36.116 1.00 22.42 H new ATOM 0 HA LYS A 70 0.802 -14.449 -37.712 1.00 11.23 H new ATOM 0 HB2 LYS A 70 1.003 -12.002 -37.941 1.00 62.44 H new ATOM 0 HB3 LYS A 70 0.787 -12.448 -36.260 1.00 62.44 H new ATOM 0 HG2 LYS A 70 3.253 -12.168 -35.881 1.00 61.33 H new ATOM 0 HG3 LYS A 70 3.449 -11.694 -37.557 1.00 61.33 H new ATOM 0 HD2 LYS A 70 1.742 -10.205 -35.508 1.00 62.22 H new ATOM 0 HD3 LYS A 70 3.361 -9.740 -35.992 1.00 62.22 H new ATOM 0 HE2 LYS A 70 0.927 -9.846 -37.830 1.00 75.21 H new ATOM 0 HE3 LYS A 70 1.624 -8.390 -37.147 1.00 75.21 H new ATOM 0 HZ1 LYS A 70 2.492 -8.549 -39.289 1.00 52.13 H new ATOM 0 HZ2 LYS A 70 3.757 -9.092 -38.295 1.00 52.13 H new ATOM 0 HZ3 LYS A 70 2.813 -10.211 -39.155 1.00 52.13 H new ATOM 1091 N PRO A 71 2.190 -13.907 -39.932 1.00 22.23 N ATOM 1092 CA PRO A 71 3.064 -13.704 -41.116 1.00 23.24 C ATOM 1093 C PRO A 71 3.799 -12.347 -41.036 1.00 24.31 C ATOM 1094 O PRO A 71 3.293 -11.397 -40.430 1.00 64.04 O ATOM 1095 CB PRO A 71 2.083 -13.753 -42.312 1.00 65.54 C ATOM 1096 CG PRO A 71 0.753 -13.372 -41.729 1.00 31.25 C ATOM 1097 CD PRO A 71 0.745 -13.942 -40.325 1.00 32.21 C ATOM 0 HA PRO A 71 3.852 -14.453 -41.196 1.00 23.24 H new ATOM 0 HB2 PRO A 71 2.383 -13.061 -43.099 1.00 65.54 H new ATOM 0 HB3 PRO A 71 2.050 -14.748 -42.757 1.00 65.54 H new ATOM 0 HG2 PRO A 71 0.628 -12.289 -41.713 1.00 31.25 H new ATOM 0 HG3 PRO A 71 -0.066 -13.779 -42.322 1.00 31.25 H new ATOM 0 HD2 PRO A 71 0.130 -13.345 -39.652 1.00 32.21 H new ATOM 0 HD3 PRO A 71 0.347 -14.956 -40.305 1.00 32.21 H new ATOM 1105 N PHE A 72 4.999 -12.281 -41.625 1.00 31.51 N ATOM 1106 CA PHE A 72 5.809 -11.049 -41.673 1.00 13.13 C ATOM 1107 C PHE A 72 5.190 -10.058 -42.683 1.00 42.30 C ATOM 1108 O PHE A 72 5.083 -8.856 -42.412 1.00 1.33 O ATOM 1109 CB PHE A 72 7.279 -11.399 -42.044 1.00 52.34 C ATOM 1110 CG PHE A 72 8.255 -10.217 -42.023 1.00 73.22 C ATOM 1111 CD1 PHE A 72 8.810 -9.771 -40.820 1.00 32.42 C ATOM 1112 CD2 PHE A 72 8.615 -9.551 -43.201 1.00 51.43 C ATOM 1113 CE1 PHE A 72 9.689 -8.700 -40.797 1.00 52.44 C ATOM 1114 CE2 PHE A 72 9.492 -8.481 -43.173 1.00 1.43 C ATOM 1115 CZ PHE A 72 10.027 -8.055 -41.972 1.00 11.23 C ATOM 0 H PHE A 72 5.440 -13.079 -42.083 1.00 31.51 H new ATOM 0 HA PHE A 72 5.815 -10.572 -40.693 1.00 13.13 H new ATOM 0 HB2 PHE A 72 7.640 -12.160 -41.353 1.00 52.34 H new ATOM 0 HB3 PHE A 72 7.290 -11.842 -43.040 1.00 52.34 H new ATOM 0 HD1 PHE A 72 8.550 -10.267 -39.897 1.00 32.42 H new ATOM 0 HD2 PHE A 72 8.202 -9.877 -44.144 1.00 51.43 H new ATOM 0 HE1 PHE A 72 10.111 -8.369 -39.860 1.00 52.44 H new ATOM 0 HE2 PHE A 72 9.759 -7.978 -44.091 1.00 1.43 H new ATOM 0 HZ PHE A 72 10.709 -7.218 -41.951 1.00 11.23 H new ATOM 1125 N LYS A 73 4.795 -10.591 -43.851 1.00 24.23 N ATOM 1126 CA LYS A 73 4.107 -9.826 -44.910 1.00 12.14 C ATOM 1127 C LYS A 73 2.686 -9.440 -44.433 1.00 74.12 C ATOM 1128 O LYS A 73 1.849 -10.348 -44.244 1.00 5.23 O ATOM 1129 CB LYS A 73 4.039 -10.661 -46.221 1.00 50.04 C ATOM 1130 CG LYS A 73 5.412 -11.122 -46.749 1.00 72.41 C ATOM 1131 CD LYS A 73 5.304 -12.070 -47.969 1.00 51.04 C ATOM 1132 CE LYS A 73 4.525 -13.362 -47.658 1.00 10.31 C ATOM 1133 NZ LYS A 73 4.492 -14.286 -48.826 1.00 41.42 N ATOM 1134 OXT LYS A 73 2.415 -8.238 -44.228 1.00 38.40 O ATOM 0 H LYS A 73 4.944 -11.571 -44.091 1.00 24.23 H new ATOM 0 HA LYS A 73 4.668 -8.915 -45.117 1.00 12.14 H new ATOM 0 HB2 LYS A 73 3.416 -11.538 -46.048 1.00 50.04 H new ATOM 0 HB3 LYS A 73 3.547 -10.067 -46.991 1.00 50.04 H new ATOM 0 HG2 LYS A 73 6.001 -10.248 -47.026 1.00 72.41 H new ATOM 0 HG3 LYS A 73 5.951 -11.629 -45.949 1.00 72.41 H new ATOM 0 HD2 LYS A 73 4.814 -11.545 -48.789 1.00 51.04 H new ATOM 0 HD3 LYS A 73 6.306 -12.329 -48.311 1.00 51.04 H new ATOM 0 HE2 LYS A 73 4.984 -13.867 -46.808 1.00 10.31 H new ATOM 0 HE3 LYS A 73 3.506 -13.110 -47.366 1.00 10.31 H new ATOM 0 HZ1 LYS A 73 3.959 -15.143 -48.576 1.00 41.42 H new ATOM 0 HZ2 LYS A 73 4.031 -13.814 -49.630 1.00 41.42 H new ATOM 0 HZ3 LYS A 73 5.464 -14.547 -49.089 1.00 41.42 H new TER 1148 LYS A 73 HETATM 1149 ZN ZN A 101 5.470 -9.627 -24.971 1.00 30.55 ZN