USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 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 Set 1.1: A 46 CYS SG : rot -111:sc= -6.18! USER MOD Set 1.2: A 48 GLN : amide:sc= 0.277 K(o=-8.1,f=-9.1) USER MOD Set 1.3: A 66 HIS : no HD1:sc= -2.19 K(o=-8.1,f=-14!) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.0297 (180deg=-0.272) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.113) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc=-0.00662 X(o=-0.0066,f=-0.0066) 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=-0.076) USER MOD Single : A 11 MET CE :methyl 163:sc= -0.16 (180deg=-0.591) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) 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 180:sc= -0.245 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -165:sc= -0.0333 (180deg=-0.301) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.08 X(o=-1.1,f=-1.4) 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) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.0387 X(o=-0.039,f=-0.064) USER MOD Single : A 39 THR OG1 : rot -34:sc= 0.0347 USER MOD Single : A 45 HIS : no HE2:sc= -1.12 K(o=-1.1,f=-2.3!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 52 SER OG : rot 180:sc= 0.00106 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.041) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.245 K(o=-0.25,f=-1.7) USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0491) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -126:sc= 1.07 (180deg=-0.12) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 42.421 -36.443 76.902 1.00 52.24 N ATOM 2 CA MET A 1 41.501 -35.563 76.161 1.00 53.43 C ATOM 3 C MET A 1 41.757 -35.711 74.654 1.00 23.41 C ATOM 4 O MET A 1 42.914 -35.708 74.213 1.00 32.33 O ATOM 5 CB MET A 1 41.657 -34.086 76.623 1.00 14.20 C ATOM 6 CG MET A 1 41.352 -33.865 78.113 1.00 32.43 C ATOM 7 SD MET A 1 41.440 -32.130 78.613 1.00 43.42 S ATOM 8 CE MET A 1 43.163 -31.741 78.305 1.00 21.05 C ATOM 0 H1 MET A 1 42.151 -36.461 77.906 1.00 52.24 H new ATOM 0 H2 MET A 1 42.370 -37.406 76.512 1.00 52.24 H new ATOM 0 H3 MET A 1 43.393 -36.084 76.812 1.00 52.24 H new ATOM 0 HA MET A 1 40.473 -35.858 76.370 1.00 53.43 H new ATOM 0 HB2 MET A 1 42.676 -33.757 76.418 1.00 14.20 H new ATOM 0 HB3 MET A 1 40.993 -33.458 76.029 1.00 14.20 H new ATOM 0 HG2 MET A 1 40.356 -34.249 78.333 1.00 32.43 H new ATOM 0 HG3 MET A 1 42.056 -34.444 78.710 1.00 32.43 H new ATOM 0 HE1 MET A 1 43.412 -30.791 78.778 1.00 21.05 H new ATOM 0 HE2 MET A 1 43.793 -32.528 78.719 1.00 21.05 H new ATOM 0 HE3 MET A 1 43.333 -31.667 77.231 1.00 21.05 H new ATOM 20 N GLY A 2 40.662 -35.867 73.894 1.00 24.52 N ATOM 21 CA GLY A 2 40.707 -35.987 72.440 1.00 4.14 C ATOM 22 C GLY A 2 39.304 -35.880 71.867 1.00 72.32 C ATOM 23 O GLY A 2 38.571 -36.874 71.843 1.00 20.45 O ATOM 0 H GLY A 2 39.719 -35.913 74.279 1.00 24.52 H new ATOM 0 HA2 GLY A 2 41.340 -35.205 72.022 1.00 4.14 H new ATOM 0 HA3 GLY A 2 41.152 -36.942 72.159 1.00 4.14 H new ATOM 27 N HIS A 3 38.902 -34.655 71.476 1.00 34.01 N ATOM 28 CA HIS A 3 37.570 -34.393 70.898 1.00 64.54 C ATOM 29 C HIS A 3 37.567 -34.672 69.385 1.00 60.34 C ATOM 30 O HIS A 3 38.514 -34.311 68.674 1.00 43.40 O ATOM 31 CB HIS A 3 37.092 -32.944 71.197 1.00 40.35 C ATOM 32 CG HIS A 3 37.933 -31.827 70.607 1.00 32.34 C ATOM 33 ND1 HIS A 3 37.790 -31.394 69.311 1.00 14.22 N ATOM 34 CD2 HIS A 3 38.897 -31.038 71.150 1.00 61.11 C ATOM 35 CE1 HIS A 3 38.622 -30.406 69.077 1.00 54.44 C ATOM 36 NE2 HIS A 3 39.305 -30.167 70.173 1.00 0.21 N ATOM 0 H HIS A 3 39.488 -33.824 71.551 1.00 34.01 H new ATOM 0 HA HIS A 3 36.864 -35.074 71.373 1.00 64.54 H new ATOM 0 HB2 HIS A 3 36.072 -32.837 70.828 1.00 40.35 H new ATOM 0 HB3 HIS A 3 37.056 -32.811 72.278 1.00 40.35 H new ATOM 0 HD2 HIS A 3 39.272 -31.088 72.162 1.00 61.11 H new ATOM 0 HE1 HIS A 3 38.727 -29.878 68.141 1.00 54.44 H new ATOM 0 HE2 HIS A 3 40.022 -29.450 70.280 1.00 0.21 H new ATOM 45 N HIS A 4 36.497 -35.319 68.913 1.00 73.04 N ATOM 46 CA HIS A 4 36.305 -35.678 67.500 1.00 62.02 C ATOM 47 C HIS A 4 34.840 -35.414 67.135 1.00 12.42 C ATOM 48 O HIS A 4 33.962 -36.239 67.415 1.00 24.12 O ATOM 49 CB HIS A 4 36.691 -37.168 67.252 1.00 44.12 C ATOM 50 CG HIS A 4 36.435 -37.673 65.844 1.00 12.33 C ATOM 51 ND1 HIS A 4 35.607 -38.742 65.567 1.00 33.32 N ATOM 52 CD2 HIS A 4 36.913 -37.264 64.642 1.00 74.42 C ATOM 53 CE1 HIS A 4 35.595 -38.968 64.273 1.00 3.14 C ATOM 54 NE2 HIS A 4 36.374 -38.091 63.688 1.00 42.31 N ATOM 0 H HIS A 4 35.725 -35.614 69.511 1.00 73.04 H new ATOM 0 HA HIS A 4 36.954 -35.072 66.867 1.00 62.02 H new ATOM 0 HB2 HIS A 4 37.749 -37.296 67.481 1.00 44.12 H new ATOM 0 HB3 HIS A 4 36.136 -37.792 67.952 1.00 44.12 H new ATOM 0 HD2 HIS A 4 37.591 -36.441 64.468 1.00 74.42 H new ATOM 0 HE1 HIS A 4 35.037 -39.746 63.774 1.00 3.14 H new ATOM 0 HE2 HIS A 4 36.551 -38.032 62.685 1.00 42.31 H new ATOM 63 N HIS A 5 34.584 -34.232 66.557 1.00 41.22 N ATOM 64 CA HIS A 5 33.244 -33.838 66.114 1.00 31.14 C ATOM 65 C HIS A 5 33.347 -32.804 64.983 1.00 73.34 C ATOM 66 O HIS A 5 33.825 -31.687 65.200 1.00 32.12 O ATOM 67 CB HIS A 5 32.403 -33.277 67.288 1.00 30.33 C ATOM 68 CG HIS A 5 30.967 -33.018 66.920 1.00 71.55 C ATOM 69 ND1 HIS A 5 30.533 -31.819 66.410 1.00 32.10 N ATOM 70 CD2 HIS A 5 29.870 -33.809 66.974 1.00 51.21 C ATOM 71 CE1 HIS A 5 29.247 -31.883 66.174 1.00 5.10 C ATOM 72 NE2 HIS A 5 28.818 -33.074 66.507 1.00 32.42 N ATOM 0 H HIS A 5 35.299 -33.526 66.385 1.00 41.22 H new ATOM 0 HA HIS A 5 32.736 -34.726 65.739 1.00 31.14 H new ATOM 0 HB2 HIS A 5 32.437 -33.981 68.119 1.00 30.33 H new ATOM 0 HB3 HIS A 5 32.854 -32.349 67.638 1.00 30.33 H new ATOM 0 HD2 HIS A 5 29.833 -34.831 67.322 1.00 51.21 H new ATOM 0 HE1 HIS A 5 28.640 -31.085 65.771 1.00 5.10 H new ATOM 0 HE2 HIS A 5 27.855 -33.400 66.430 1.00 32.42 H new ATOM 81 N HIS A 6 32.920 -33.209 63.777 1.00 71.22 N ATOM 82 CA HIS A 6 32.867 -32.346 62.589 1.00 34.40 C ATOM 83 C HIS A 6 31.836 -32.920 61.608 1.00 23.31 C ATOM 84 O HIS A 6 31.880 -34.115 61.292 1.00 33.42 O ATOM 85 CB HIS A 6 34.262 -32.244 61.911 1.00 3.10 C ATOM 86 CG HIS A 6 34.286 -31.406 60.650 1.00 73.44 C ATOM 87 ND1 HIS A 6 34.258 -31.954 59.384 1.00 74.21 N ATOM 88 CD2 HIS A 6 34.328 -30.064 60.463 1.00 72.52 C ATOM 89 CE1 HIS A 6 34.278 -30.991 58.488 1.00 2.40 C ATOM 90 NE2 HIS A 6 34.323 -29.843 59.115 1.00 65.34 N ATOM 0 H HIS A 6 32.597 -34.160 63.598 1.00 71.22 H new ATOM 0 HA HIS A 6 32.573 -31.340 62.889 1.00 34.40 H new ATOM 0 HB2 HIS A 6 34.970 -31.823 62.625 1.00 3.10 H new ATOM 0 HB3 HIS A 6 34.610 -33.249 61.671 1.00 3.10 H new ATOM 0 HD2 HIS A 6 34.360 -29.310 61.236 1.00 72.52 H new ATOM 0 HE1 HIS A 6 34.260 -31.125 57.416 1.00 2.40 H new ATOM 0 HE2 HIS A 6 34.350 -28.927 58.667 1.00 65.34 H new ATOM 99 N HIS A 7 30.913 -32.059 61.140 1.00 62.55 N ATOM 100 CA HIS A 7 29.881 -32.427 60.160 1.00 61.23 C ATOM 101 C HIS A 7 30.514 -32.690 58.778 1.00 3.32 C ATOM 102 O HIS A 7 30.689 -31.774 57.971 1.00 53.20 O ATOM 103 CB HIS A 7 28.788 -31.324 60.063 1.00 35.15 C ATOM 104 CG HIS A 7 28.066 -31.035 61.358 1.00 54.24 C ATOM 105 ND1 HIS A 7 28.362 -29.951 62.164 1.00 1.21 N ATOM 106 CD2 HIS A 7 27.040 -31.673 61.971 1.00 2.53 C ATOM 107 CE1 HIS A 7 27.549 -29.944 63.203 1.00 64.41 C ATOM 108 NE2 HIS A 7 26.739 -30.965 63.098 1.00 11.33 N ATOM 0 H HIS A 7 30.864 -31.084 61.435 1.00 62.55 H new ATOM 0 HA HIS A 7 29.403 -33.346 60.500 1.00 61.23 H new ATOM 0 HB2 HIS A 7 29.251 -30.403 59.708 1.00 35.15 H new ATOM 0 HB3 HIS A 7 28.055 -31.623 59.313 1.00 35.15 H new ATOM 0 HD2 HIS A 7 26.551 -32.574 61.631 1.00 2.53 H new ATOM 0 HE1 HIS A 7 27.552 -29.219 64.003 1.00 64.41 H new ATOM 0 HE2 HIS A 7 25.996 -31.197 63.757 1.00 11.33 H new ATOM 117 N HIS A 8 30.929 -33.940 58.559 1.00 54.33 N ATOM 118 CA HIS A 8 31.445 -34.419 57.268 1.00 54.43 C ATOM 119 C HIS A 8 30.406 -35.380 56.682 1.00 12.22 C ATOM 120 O HIS A 8 30.344 -36.551 57.077 1.00 2.44 O ATOM 121 CB HIS A 8 32.834 -35.099 57.480 1.00 12.43 C ATOM 122 CG HIS A 8 33.490 -35.654 56.232 1.00 4.23 C ATOM 123 ND1 HIS A 8 34.565 -35.049 55.613 1.00 32.31 N ATOM 124 CD2 HIS A 8 33.244 -36.781 55.514 1.00 74.45 C ATOM 125 CE1 HIS A 8 34.943 -35.776 54.581 1.00 20.23 C ATOM 126 NE2 HIS A 8 34.161 -36.826 54.500 1.00 23.31 N ATOM 0 H HIS A 8 30.917 -34.660 59.281 1.00 54.33 H new ATOM 0 HA HIS A 8 31.600 -33.599 56.566 1.00 54.43 H new ATOM 0 HB2 HIS A 8 33.509 -34.372 57.931 1.00 12.43 H new ATOM 0 HB3 HIS A 8 32.715 -35.911 58.198 1.00 12.43 H new ATOM 0 HD2 HIS A 8 32.468 -37.507 55.708 1.00 74.45 H new ATOM 0 HE1 HIS A 8 35.760 -35.546 53.913 1.00 20.23 H new ATOM 0 HE2 HIS A 8 34.226 -37.559 53.794 1.00 23.31 H new ATOM 135 N SER A 9 29.559 -34.869 55.776 1.00 54.13 N ATOM 136 CA SER A 9 28.479 -35.662 55.163 1.00 43.24 C ATOM 137 C SER A 9 28.067 -35.047 53.822 1.00 72.13 C ATOM 138 O SER A 9 27.945 -33.820 53.694 1.00 15.24 O ATOM 139 CB SER A 9 27.263 -35.763 56.110 1.00 74.42 C ATOM 140 OG SER A 9 26.270 -36.623 55.582 1.00 3.04 O ATOM 0 H SER A 9 29.601 -33.904 55.449 1.00 54.13 H new ATOM 0 HA SER A 9 28.852 -36.671 54.986 1.00 43.24 H new ATOM 0 HB2 SER A 9 27.587 -36.132 57.083 1.00 74.42 H new ATOM 0 HB3 SER A 9 26.840 -34.771 56.270 1.00 74.42 H new ATOM 0 HG SER A 9 25.513 -36.669 56.203 1.00 3.04 H new ATOM 146 N HIS A 10 27.853 -35.916 52.830 1.00 53.32 N ATOM 147 CA HIS A 10 27.517 -35.520 51.462 1.00 54.33 C ATOM 148 C HIS A 10 26.035 -35.123 51.376 1.00 61.33 C ATOM 149 O HIS A 10 25.161 -35.982 51.218 1.00 50.43 O ATOM 150 CB HIS A 10 27.857 -36.674 50.481 1.00 61.32 C ATOM 151 CG HIS A 10 29.309 -37.080 50.533 1.00 15.00 C ATOM 152 ND1 HIS A 10 29.790 -38.002 51.442 1.00 5.25 N ATOM 153 CD2 HIS A 10 30.385 -36.665 49.828 1.00 54.22 C ATOM 154 CE1 HIS A 10 31.090 -38.126 51.295 1.00 2.11 C ATOM 155 NE2 HIS A 10 31.476 -37.334 50.318 1.00 44.41 N ATOM 0 H HIS A 10 27.909 -36.926 52.957 1.00 53.32 H new ATOM 0 HA HIS A 10 28.110 -34.651 51.178 1.00 54.33 H new ATOM 0 HB2 HIS A 10 27.235 -37.538 50.715 1.00 61.32 H new ATOM 0 HB3 HIS A 10 27.607 -36.366 49.466 1.00 61.32 H new ATOM 0 HD2 HIS A 10 30.385 -35.941 49.027 1.00 54.22 H new ATOM 0 HE1 HIS A 10 31.733 -38.769 51.878 1.00 2.11 H new ATOM 0 HE2 HIS A 10 32.433 -37.234 49.980 1.00 44.41 H new ATOM 164 N MET A 11 25.765 -33.816 51.537 1.00 71.34 N ATOM 165 CA MET A 11 24.408 -33.245 51.477 1.00 53.21 C ATOM 166 C MET A 11 24.311 -32.276 50.275 1.00 33.32 C ATOM 167 O MET A 11 24.599 -31.084 50.423 1.00 4.33 O ATOM 168 CB MET A 11 24.061 -32.514 52.809 1.00 74.40 C ATOM 169 CG MET A 11 24.021 -33.412 54.058 1.00 21.02 C ATOM 170 SD MET A 11 23.559 -32.507 55.555 1.00 33.43 S ATOM 171 CE MET A 11 21.931 -31.855 55.149 1.00 42.20 C ATOM 0 H MET A 11 26.489 -33.120 51.714 1.00 71.34 H new ATOM 0 HA MET A 11 23.685 -34.050 51.342 1.00 53.21 H new ATOM 0 HB2 MET A 11 24.794 -31.724 52.973 1.00 74.40 H new ATOM 0 HB3 MET A 11 23.090 -32.031 52.697 1.00 74.40 H new ATOM 0 HG2 MET A 11 23.311 -34.223 53.895 1.00 21.02 H new ATOM 0 HG3 MET A 11 25.000 -33.870 54.203 1.00 21.02 H new ATOM 0 HE1 MET A 11 21.423 -31.550 56.064 1.00 42.20 H new ATOM 0 HE2 MET A 11 22.038 -30.994 54.489 1.00 42.20 H new ATOM 0 HE3 MET A 11 21.345 -32.626 54.648 1.00 42.20 H new ATOM 181 N PRO A 12 23.950 -32.785 49.050 1.00 42.25 N ATOM 182 CA PRO A 12 23.803 -31.936 47.838 1.00 4.24 C ATOM 183 C PRO A 12 22.392 -31.297 47.732 1.00 4.24 C ATOM 184 O PRO A 12 21.523 -31.541 48.585 1.00 4.50 O ATOM 185 CB PRO A 12 24.060 -32.959 46.707 1.00 14.45 C ATOM 186 CG PRO A 12 23.460 -34.244 47.220 1.00 71.13 C ATOM 187 CD PRO A 12 23.668 -34.224 48.734 1.00 43.11 C ATOM 0 HA PRO A 12 24.476 -31.078 47.822 1.00 4.24 H new ATOM 0 HB2 PRO A 12 23.591 -32.646 45.774 1.00 14.45 H new ATOM 0 HB3 PRO A 12 25.126 -33.070 46.506 1.00 14.45 H new ATOM 0 HG2 PRO A 12 22.401 -34.308 46.971 1.00 71.13 H new ATOM 0 HG3 PRO A 12 23.946 -35.110 46.770 1.00 71.13 H new ATOM 0 HD2 PRO A 12 22.784 -34.581 49.262 1.00 43.11 H new ATOM 0 HD3 PRO A 12 24.497 -34.866 49.030 1.00 43.11 H new ATOM 195 N ASN A 13 22.184 -30.486 46.679 1.00 44.14 N ATOM 196 CA ASN A 13 20.896 -29.817 46.418 1.00 31.42 C ATOM 197 C ASN A 13 20.911 -29.270 44.977 1.00 53.34 C ATOM 198 O ASN A 13 21.489 -28.210 44.727 1.00 54.34 O ATOM 199 CB ASN A 13 20.646 -28.666 47.447 1.00 13.35 C ATOM 200 CG ASN A 13 19.221 -28.118 47.405 1.00 40.34 C ATOM 201 OD1 ASN A 13 18.334 -28.591 48.119 1.00 4.13 O ATOM 202 ND2 ASN A 13 18.988 -27.124 46.566 1.00 4.11 N ATOM 0 H ASN A 13 22.902 -30.276 45.986 1.00 44.14 H new ATOM 0 HA ASN A 13 20.082 -30.534 46.530 1.00 31.42 H new ATOM 0 HB2 ASN A 13 20.857 -29.033 48.451 1.00 13.35 H new ATOM 0 HB3 ASN A 13 21.346 -27.854 47.251 1.00 13.35 H new ATOM 0 HD21 ASN A 13 18.052 -26.725 46.495 1.00 4.11 H new ATOM 0 HD22 ASN A 13 19.744 -26.756 45.989 1.00 4.11 H new ATOM 209 N GLY A 14 20.301 -30.006 44.028 1.00 2.34 N ATOM 210 CA GLY A 14 20.322 -29.630 42.613 1.00 65.35 C ATOM 211 C GLY A 14 19.103 -30.140 41.873 1.00 40.34 C ATOM 212 O GLY A 14 19.204 -31.030 41.021 1.00 72.51 O ATOM 0 H GLY A 14 19.788 -30.866 44.223 1.00 2.34 H new ATOM 0 HA2 GLY A 14 20.371 -28.544 42.527 1.00 65.35 H new ATOM 0 HA3 GLY A 14 21.223 -30.028 42.145 1.00 65.35 H new ATOM 216 N LYS A 15 17.941 -29.593 42.233 1.00 24.23 N ATOM 217 CA LYS A 15 16.671 -29.896 41.561 1.00 3.15 C ATOM 218 C LYS A 15 16.587 -29.144 40.221 1.00 54.14 C ATOM 219 O LYS A 15 16.871 -27.944 40.155 1.00 33.24 O ATOM 220 CB LYS A 15 15.474 -29.509 42.462 1.00 20.32 C ATOM 221 CG LYS A 15 14.092 -29.817 41.836 1.00 25.21 C ATOM 222 CD LYS A 15 12.913 -29.278 42.676 1.00 42.34 C ATOM 223 CE LYS A 15 11.550 -29.508 42.001 1.00 15.42 C ATOM 224 NZ LYS A 15 10.437 -28.963 42.818 1.00 44.20 N ATOM 0 H LYS A 15 17.851 -28.926 43.000 1.00 24.23 H new ATOM 0 HA LYS A 15 16.629 -30.968 41.369 1.00 3.15 H new ATOM 0 HB2 LYS A 15 15.559 -30.040 43.410 1.00 20.32 H new ATOM 0 HB3 LYS A 15 15.531 -28.444 42.687 1.00 20.32 H new ATOM 0 HG2 LYS A 15 14.047 -29.383 40.837 1.00 25.21 H new ATOM 0 HG3 LYS A 15 13.985 -30.895 41.720 1.00 25.21 H new ATOM 0 HD2 LYS A 15 12.917 -29.762 43.653 1.00 42.34 H new ATOM 0 HD3 LYS A 15 13.053 -28.211 42.849 1.00 42.34 H new ATOM 0 HE2 LYS A 15 11.546 -29.036 41.018 1.00 15.42 H new ATOM 0 HE3 LYS A 15 11.397 -30.576 41.843 1.00 15.42 H new ATOM 0 HZ1 LYS A 15 9.533 -29.136 42.333 1.00 44.20 H new ATOM 0 HZ2 LYS A 15 10.426 -29.431 43.747 1.00 44.20 H new ATOM 0 HZ3 LYS A 15 10.570 -27.940 42.948 1.00 44.20 H new ATOM 238 N LEU A 16 16.165 -29.864 39.180 1.00 72.01 N ATOM 239 CA LEU A 16 16.054 -29.342 37.807 1.00 30.25 C ATOM 240 C LEU A 16 14.601 -29.460 37.319 1.00 11.34 C ATOM 241 O LEU A 16 13.793 -30.197 37.907 1.00 62.45 O ATOM 242 CB LEU A 16 17.018 -30.095 36.837 1.00 21.33 C ATOM 243 CG LEU A 16 16.761 -31.633 36.591 1.00 75.13 C ATOM 244 CD1 LEU A 16 17.562 -32.141 35.373 1.00 32.34 C ATOM 245 CD2 LEU A 16 17.083 -32.500 37.838 1.00 22.05 C ATOM 0 H LEU A 16 15.885 -30.841 39.263 1.00 72.01 H new ATOM 0 HA LEU A 16 16.344 -28.291 37.815 1.00 30.25 H new ATOM 0 HB2 LEU A 16 16.982 -29.591 35.871 1.00 21.33 H new ATOM 0 HB3 LEU A 16 18.033 -29.982 37.219 1.00 21.33 H new ATOM 0 HG LEU A 16 15.695 -31.737 36.387 1.00 75.13 H new ATOM 0 HD11 LEU A 16 17.366 -33.203 35.226 1.00 32.34 H new ATOM 0 HD12 LEU A 16 17.259 -31.590 34.483 1.00 32.34 H new ATOM 0 HD13 LEU A 16 18.627 -31.989 35.549 1.00 32.34 H new ATOM 0 HD21 LEU A 16 16.888 -33.548 37.612 1.00 22.05 H new ATOM 0 HD22 LEU A 16 18.132 -32.375 38.107 1.00 22.05 H new ATOM 0 HD23 LEU A 16 16.455 -32.186 38.672 1.00 22.05 H new ATOM 257 N LYS A 17 14.287 -28.739 36.231 1.00 51.20 N ATOM 258 CA LYS A 17 12.936 -28.704 35.644 1.00 64.13 C ATOM 259 C LYS A 17 13.026 -28.646 34.111 1.00 61.13 C ATOM 260 O LYS A 17 13.760 -27.823 33.554 1.00 74.32 O ATOM 261 CB LYS A 17 12.153 -27.487 36.193 1.00 21.11 C ATOM 262 CG LYS A 17 10.695 -27.354 35.671 1.00 43.43 C ATOM 263 CD LYS A 17 9.931 -26.188 36.343 1.00 4.44 C ATOM 264 CE LYS A 17 9.744 -26.388 37.856 1.00 4.43 C ATOM 265 NZ LYS A 17 8.996 -25.263 38.468 1.00 54.45 N ATOM 0 H LYS A 17 14.964 -28.162 35.732 1.00 51.20 H new ATOM 0 HA LYS A 17 12.403 -29.613 35.922 1.00 64.13 H new ATOM 0 HB2 LYS A 17 12.129 -27.550 37.281 1.00 21.11 H new ATOM 0 HB3 LYS A 17 12.698 -26.578 35.938 1.00 21.11 H new ATOM 0 HG2 LYS A 17 10.711 -27.200 34.592 1.00 43.43 H new ATOM 0 HG3 LYS A 17 10.161 -28.287 35.852 1.00 43.43 H new ATOM 0 HD2 LYS A 17 10.472 -25.258 36.169 1.00 4.44 H new ATOM 0 HD3 LYS A 17 8.954 -26.082 35.872 1.00 4.44 H new ATOM 0 HE2 LYS A 17 9.211 -27.321 38.037 1.00 4.43 H new ATOM 0 HE3 LYS A 17 10.719 -26.480 38.334 1.00 4.43 H new ATOM 0 HZ1 LYS A 17 8.889 -25.432 39.489 1.00 54.45 H new ATOM 0 HZ2 LYS A 17 9.518 -24.376 38.317 1.00 54.45 H new ATOM 0 HZ3 LYS A 17 8.056 -25.191 38.028 1.00 54.45 H new ATOM 279 N CYS A 18 12.260 -29.517 33.439 1.00 50.33 N ATOM 280 CA CYS A 18 12.291 -29.674 31.973 1.00 62.14 C ATOM 281 C CYS A 18 10.867 -29.833 31.430 1.00 64.14 C ATOM 282 O CYS A 18 10.050 -30.561 32.014 1.00 40.05 O ATOM 283 CB CYS A 18 13.154 -30.899 31.597 1.00 31.14 C ATOM 284 SG CYS A 18 14.789 -30.872 32.361 1.00 33.23 S ATOM 0 H CYS A 18 11.595 -30.139 33.899 1.00 50.33 H new ATOM 0 HA CYS A 18 12.733 -28.783 31.526 1.00 62.14 H new ATOM 0 HB2 CYS A 18 12.634 -31.809 31.897 1.00 31.14 H new ATOM 0 HB3 CYS A 18 13.266 -30.939 30.513 1.00 31.14 H new ATOM 0 HG CYS A 18 15.453 -31.930 32.002 1.00 33.23 H new ATOM 290 N ASP A 19 10.586 -29.138 30.322 1.00 5.45 N ATOM 291 CA ASP A 19 9.282 -29.176 29.636 1.00 33.20 C ATOM 292 C ASP A 19 9.443 -28.664 28.197 1.00 54.31 C ATOM 293 O ASP A 19 10.529 -28.198 27.810 1.00 43.24 O ATOM 294 CB ASP A 19 8.220 -28.331 30.409 1.00 60.21 C ATOM 295 CG ASP A 19 8.493 -26.813 30.378 1.00 10.23 C ATOM 296 OD1 ASP A 19 9.421 -26.356 31.078 1.00 0.44 O ATOM 297 OD2 ASP A 19 7.780 -26.072 29.657 1.00 71.31 O ATOM 0 H ASP A 19 11.263 -28.525 29.868 1.00 5.45 H new ATOM 0 HA ASP A 19 8.928 -30.206 29.609 1.00 33.20 H new ATOM 0 HB2 ASP A 19 7.235 -28.523 29.982 1.00 60.21 H new ATOM 0 HB3 ASP A 19 8.188 -28.664 31.446 1.00 60.21 H new ATOM 302 N VAL A 20 8.362 -28.742 27.413 1.00 0.21 N ATOM 303 CA VAL A 20 8.333 -28.270 26.014 1.00 23.14 C ATOM 304 C VAL A 20 6.908 -27.805 25.650 1.00 42.14 C ATOM 305 O VAL A 20 5.927 -28.270 26.239 1.00 41.03 O ATOM 306 CB VAL A 20 8.842 -29.382 25.016 1.00 62.00 C ATOM 307 CG1 VAL A 20 7.935 -30.638 25.046 1.00 4.42 C ATOM 308 CG2 VAL A 20 9.026 -28.832 23.574 1.00 52.33 C ATOM 0 H VAL A 20 7.475 -29.136 27.728 1.00 0.21 H new ATOM 0 HA VAL A 20 9.014 -27.424 25.921 1.00 23.14 H new ATOM 0 HB VAL A 20 9.828 -29.692 25.361 1.00 62.00 H new ATOM 0 HG11 VAL A 20 8.318 -31.380 24.346 1.00 4.42 H new ATOM 0 HG12 VAL A 20 7.928 -31.058 26.052 1.00 4.42 H new ATOM 0 HG13 VAL A 20 6.920 -30.361 24.761 1.00 4.42 H new ATOM 0 HG21 VAL A 20 9.377 -29.632 22.922 1.00 52.33 H new ATOM 0 HG22 VAL A 20 8.073 -28.454 23.204 1.00 52.33 H new ATOM 0 HG23 VAL A 20 9.757 -28.024 23.583 1.00 52.33 H new ATOM 318 N CYS A 21 6.809 -26.874 24.690 1.00 73.25 N ATOM 319 CA CYS A 21 5.532 -26.307 24.233 1.00 23.02 C ATOM 320 C CYS A 21 5.483 -26.284 22.700 1.00 40.13 C ATOM 321 O CYS A 21 6.514 -26.072 22.049 1.00 0.41 O ATOM 322 CB CYS A 21 5.370 -24.874 24.783 1.00 1.30 C ATOM 323 SG CYS A 21 5.405 -24.782 26.579 1.00 1.22 S ATOM 0 H CYS A 21 7.620 -26.490 24.205 1.00 73.25 H new ATOM 0 HA CYS A 21 4.717 -26.928 24.603 1.00 23.02 H new ATOM 0 HB2 CYS A 21 6.166 -24.247 24.380 1.00 1.30 H new ATOM 0 HB3 CYS A 21 4.427 -24.461 24.425 1.00 1.30 H new ATOM 0 HG CYS A 21 5.265 -23.545 26.953 1.00 1.22 H new ATOM 329 N GLY A 22 4.280 -26.509 22.144 1.00 74.25 N ATOM 330 CA GLY A 22 4.038 -26.349 20.710 1.00 22.01 C ATOM 331 C GLY A 22 3.884 -24.885 20.309 1.00 34.33 C ATOM 332 O GLY A 22 3.683 -24.012 21.162 1.00 53.03 O ATOM 0 H GLY A 22 3.460 -26.804 22.674 1.00 74.25 H new ATOM 0 HA2 GLY A 22 4.864 -26.791 20.153 1.00 22.01 H new ATOM 0 HA3 GLY A 22 3.137 -26.896 20.432 1.00 22.01 H new ATOM 336 N MET A 23 3.985 -24.612 19.005 1.00 61.42 N ATOM 337 CA MET A 23 3.879 -23.244 18.441 1.00 1.15 C ATOM 338 C MET A 23 2.882 -23.248 17.267 1.00 73.33 C ATOM 339 O MET A 23 2.367 -24.312 16.890 1.00 54.45 O ATOM 340 CB MET A 23 5.290 -22.747 17.996 1.00 1.24 C ATOM 341 CG MET A 23 6.292 -22.546 19.147 1.00 0.14 C ATOM 342 SD MET A 23 7.955 -22.120 18.578 1.00 74.52 S ATOM 343 CE MET A 23 8.478 -23.632 17.759 1.00 21.41 C ATOM 0 H MET A 23 4.143 -25.331 18.299 1.00 61.42 H new ATOM 0 HA MET A 23 3.506 -22.555 19.199 1.00 1.15 H new ATOM 0 HB2 MET A 23 5.707 -23.465 17.290 1.00 1.24 H new ATOM 0 HB3 MET A 23 5.177 -21.804 17.462 1.00 1.24 H new ATOM 0 HG2 MET A 23 5.927 -21.757 19.804 1.00 0.14 H new ATOM 0 HG3 MET A 23 6.341 -23.459 19.741 1.00 0.14 H new ATOM 0 HE1 MET A 23 9.556 -23.606 17.601 1.00 21.41 H new ATOM 0 HE2 MET A 23 8.223 -24.490 18.381 1.00 21.41 H new ATOM 0 HE3 MET A 23 7.973 -23.718 16.797 1.00 21.41 H new ATOM 353 N VAL A 24 2.603 -22.061 16.698 1.00 73.25 N ATOM 354 CA VAL A 24 1.728 -21.919 15.523 1.00 44.22 C ATOM 355 C VAL A 24 2.145 -20.677 14.718 1.00 32.24 C ATOM 356 O VAL A 24 2.527 -19.656 15.293 1.00 13.15 O ATOM 357 CB VAL A 24 0.200 -21.850 15.920 1.00 52.12 C ATOM 358 CG1 VAL A 24 -0.125 -20.625 16.807 1.00 61.13 C ATOM 359 CG2 VAL A 24 -0.711 -21.917 14.672 1.00 45.42 C ATOM 0 H VAL A 24 2.978 -21.176 17.040 1.00 73.25 H new ATOM 0 HA VAL A 24 1.847 -22.808 14.904 1.00 44.22 H new ATOM 0 HB VAL A 24 -0.010 -22.731 16.526 1.00 52.12 H new ATOM 0 HG11 VAL A 24 -1.187 -20.624 17.052 1.00 61.13 H new ATOM 0 HG12 VAL A 24 0.459 -20.676 17.726 1.00 61.13 H new ATOM 0 HG13 VAL A 24 0.124 -19.710 16.269 1.00 61.13 H new ATOM 0 HG21 VAL A 24 -1.755 -21.867 14.981 1.00 45.42 H new ATOM 0 HG22 VAL A 24 -0.487 -21.078 14.013 1.00 45.42 H new ATOM 0 HG23 VAL A 24 -0.534 -22.853 14.142 1.00 45.42 H new ATOM 369 N CYS A 25 2.075 -20.779 13.388 1.00 61.40 N ATOM 370 CA CYS A 25 2.483 -19.710 12.471 1.00 62.24 C ATOM 371 C CYS A 25 1.527 -19.705 11.273 1.00 41.32 C ATOM 372 O CYS A 25 1.429 -20.704 10.553 1.00 14.12 O ATOM 373 CB CYS A 25 3.947 -19.950 12.037 1.00 52.11 C ATOM 374 SG CYS A 25 4.685 -18.581 11.118 1.00 14.31 S ATOM 0 H CYS A 25 1.731 -21.613 12.913 1.00 61.40 H new ATOM 0 HA CYS A 25 2.433 -18.735 12.955 1.00 62.24 H new ATOM 0 HB2 CYS A 25 4.550 -20.143 12.925 1.00 52.11 H new ATOM 0 HB3 CYS A 25 3.988 -20.849 11.422 1.00 52.11 H new ATOM 0 HG CYS A 25 5.910 -18.880 10.804 1.00 14.31 H new ATOM 380 N ILE A 26 0.812 -18.581 11.073 1.00 21.33 N ATOM 381 CA ILE A 26 -0.253 -18.467 10.041 1.00 1.02 C ATOM 382 C ILE A 26 0.335 -18.290 8.622 1.00 14.20 C ATOM 383 O ILE A 26 1.490 -17.873 8.476 1.00 14.11 O ATOM 384 CB ILE A 26 -1.282 -17.311 10.408 1.00 70.52 C ATOM 385 CG1 ILE A 26 -0.580 -15.913 10.669 1.00 0.32 C ATOM 386 CG2 ILE A 26 -2.140 -17.729 11.638 1.00 4.21 C ATOM 387 CD1 ILE A 26 -0.150 -15.125 9.426 1.00 43.40 C ATOM 0 H ILE A 26 0.950 -17.728 11.615 1.00 21.33 H new ATOM 0 HA ILE A 26 -0.805 -19.407 10.033 1.00 1.02 H new ATOM 0 HB ILE A 26 -1.927 -17.175 9.540 1.00 70.52 H new ATOM 0 HG12 ILE A 26 -1.262 -15.291 11.249 1.00 0.32 H new ATOM 0 HG13 ILE A 26 0.301 -16.083 11.288 1.00 0.32 H new ATOM 0 HG21 ILE A 26 -2.841 -16.931 11.881 1.00 4.21 H new ATOM 0 HG22 ILE A 26 -2.693 -18.639 11.404 1.00 4.21 H new ATOM 0 HG23 ILE A 26 -1.487 -17.911 12.492 1.00 4.21 H new ATOM 0 HD11 ILE A 26 0.317 -14.189 9.732 1.00 43.40 H new ATOM 0 HD12 ILE A 26 0.563 -15.715 8.850 1.00 43.40 H new ATOM 0 HD13 ILE A 26 -1.024 -14.910 8.811 1.00 43.40 H new ATOM 399 N GLY A 27 -0.484 -18.590 7.593 1.00 61.23 N ATOM 400 CA GLY A 27 -0.070 -18.473 6.187 1.00 5.52 C ATOM 401 C GLY A 27 -1.196 -17.957 5.290 1.00 20.01 C ATOM 402 O GLY A 27 -2.360 -17.963 5.712 1.00 63.25 O ATOM 0 H GLY A 27 -1.442 -18.917 7.715 1.00 61.23 H new ATOM 0 HA2 GLY A 27 0.784 -17.800 6.117 1.00 5.52 H new ATOM 0 HA3 GLY A 27 0.261 -19.447 5.826 1.00 5.52 H new ATOM 406 N PRO A 28 -0.879 -17.497 4.029 1.00 62.11 N ATOM 407 CA PRO A 28 -1.880 -16.882 3.110 1.00 44.24 C ATOM 408 C PRO A 28 -2.764 -17.935 2.389 1.00 11.02 C ATOM 409 O PRO A 28 -2.263 -18.980 1.952 1.00 21.13 O ATOM 410 CB PRO A 28 -0.981 -16.106 2.113 1.00 35.41 C ATOM 411 CG PRO A 28 0.290 -16.915 2.030 1.00 1.01 C ATOM 412 CD PRO A 28 0.478 -17.548 3.407 1.00 23.11 C ATOM 0 HA PRO A 28 -2.604 -16.255 3.632 1.00 44.24 H new ATOM 0 HB2 PRO A 28 -1.458 -16.017 1.137 1.00 35.41 H new ATOM 0 HB3 PRO A 28 -0.783 -15.093 2.464 1.00 35.41 H new ATOM 0 HG2 PRO A 28 0.216 -17.679 1.256 1.00 1.01 H new ATOM 0 HG3 PRO A 28 1.139 -16.282 1.773 1.00 1.01 H new ATOM 0 HD2 PRO A 28 0.840 -18.573 3.327 1.00 23.11 H new ATOM 0 HD3 PRO A 28 1.208 -16.998 4.001 1.00 23.11 H new ATOM 420 N ASN A 29 -4.081 -17.657 2.274 1.00 72.52 N ATOM 421 CA ASN A 29 -5.016 -18.548 1.548 1.00 70.44 C ATOM 422 C ASN A 29 -4.861 -18.338 0.019 1.00 70.24 C ATOM 423 O ASN A 29 -5.604 -17.582 -0.620 1.00 74.14 O ATOM 424 CB ASN A 29 -6.487 -18.346 2.014 1.00 75.12 C ATOM 425 CG ASN A 29 -7.482 -19.326 1.342 1.00 1.24 C ATOM 426 OD1 ASN A 29 -7.137 -20.450 0.980 1.00 5.40 O ATOM 427 ND2 ASN A 29 -8.722 -18.914 1.190 1.00 60.44 N ATOM 0 H ASN A 29 -4.520 -16.827 2.672 1.00 72.52 H new ATOM 0 HA ASN A 29 -4.760 -19.581 1.782 1.00 70.44 H new ATOM 0 HB2 ASN A 29 -6.539 -18.471 3.096 1.00 75.12 H new ATOM 0 HB3 ASN A 29 -6.793 -17.323 1.797 1.00 75.12 H new ATOM 0 HD21 ASN A 29 -9.416 -19.530 0.766 1.00 60.44 H new ATOM 0 HD22 ASN A 29 -8.990 -17.979 1.496 1.00 60.44 H new ATOM 434 N VAL A 30 -3.822 -18.978 -0.538 1.00 10.13 N ATOM 435 CA VAL A 30 -3.496 -18.928 -1.973 1.00 74.31 C ATOM 436 C VAL A 30 -4.519 -19.731 -2.810 1.00 25.43 C ATOM 437 O VAL A 30 -4.678 -19.459 -4.005 1.00 60.43 O ATOM 438 CB VAL A 30 -2.023 -19.424 -2.235 1.00 14.34 C ATOM 439 CG1 VAL A 30 -0.996 -18.499 -1.522 1.00 13.14 C ATOM 440 CG2 VAL A 30 -1.837 -20.902 -1.808 1.00 35.14 C ATOM 0 H VAL A 30 -3.175 -19.553 0.002 1.00 10.13 H new ATOM 0 HA VAL A 30 -3.558 -17.888 -2.293 1.00 74.31 H new ATOM 0 HB VAL A 30 -1.839 -19.371 -3.308 1.00 14.34 H new ATOM 0 HG11 VAL A 30 0.014 -18.859 -1.716 1.00 13.14 H new ATOM 0 HG12 VAL A 30 -1.098 -17.482 -1.901 1.00 13.14 H new ATOM 0 HG13 VAL A 30 -1.184 -18.506 -0.448 1.00 13.14 H new ATOM 0 HG21 VAL A 30 -0.810 -21.211 -2.003 1.00 35.14 H new ATOM 0 HG22 VAL A 30 -2.051 -21.003 -0.744 1.00 35.14 H new ATOM 0 HG23 VAL A 30 -2.520 -21.534 -2.377 1.00 35.14 H new ATOM 450 N LEU A 31 -5.191 -20.726 -2.167 1.00 51.34 N ATOM 451 CA LEU A 31 -6.226 -21.570 -2.802 1.00 12.12 C ATOM 452 C LEU A 31 -7.363 -20.713 -3.380 1.00 35.00 C ATOM 453 O LEU A 31 -7.841 -20.994 -4.475 1.00 70.22 O ATOM 454 CB LEU A 31 -6.753 -22.622 -1.768 1.00 61.24 C ATOM 455 CG LEU A 31 -7.733 -23.754 -2.302 1.00 23.52 C ATOM 456 CD1 LEU A 31 -7.671 -25.018 -1.419 1.00 64.21 C ATOM 457 CD2 LEU A 31 -9.209 -23.276 -2.407 1.00 10.33 C ATOM 0 H LEU A 31 -5.024 -20.961 -1.189 1.00 51.34 H new ATOM 0 HA LEU A 31 -5.783 -22.107 -3.641 1.00 12.12 H new ATOM 0 HB2 LEU A 31 -5.890 -23.111 -1.317 1.00 61.24 H new ATOM 0 HB3 LEU A 31 -7.266 -22.082 -0.972 1.00 61.24 H new ATOM 0 HG LEU A 31 -7.384 -23.993 -3.306 1.00 23.52 H new ATOM 0 HD11 LEU A 31 -8.353 -25.771 -1.813 1.00 64.21 H new ATOM 0 HD12 LEU A 31 -6.655 -25.413 -1.420 1.00 64.21 H new ATOM 0 HD13 LEU A 31 -7.961 -24.764 -0.399 1.00 64.21 H new ATOM 0 HD21 LEU A 31 -9.830 -24.092 -2.777 1.00 10.33 H new ATOM 0 HD22 LEU A 31 -9.563 -22.968 -1.423 1.00 10.33 H new ATOM 0 HD23 LEU A 31 -9.270 -22.433 -3.095 1.00 10.33 H new ATOM 469 N MET A 32 -7.756 -19.655 -2.641 1.00 12.30 N ATOM 470 CA MET A 32 -8.816 -18.714 -3.052 1.00 61.52 C ATOM 471 C MET A 32 -8.501 -18.063 -4.414 1.00 33.33 C ATOM 472 O MET A 32 -9.384 -17.911 -5.267 1.00 3.32 O ATOM 473 CB MET A 32 -8.976 -17.631 -1.958 1.00 12.15 C ATOM 474 CG MET A 32 -10.087 -16.601 -2.220 1.00 61.52 C ATOM 475 SD MET A 32 -11.734 -17.334 -2.347 1.00 62.14 S ATOM 476 CE MET A 32 -12.740 -15.887 -2.710 1.00 14.41 C ATOM 0 H MET A 32 -7.343 -19.429 -1.736 1.00 12.30 H new ATOM 0 HA MET A 32 -9.749 -19.266 -3.168 1.00 61.52 H new ATOM 0 HB2 MET A 32 -9.176 -18.124 -1.007 1.00 12.15 H new ATOM 0 HB3 MET A 32 -8.029 -17.102 -1.851 1.00 12.15 H new ATOM 0 HG2 MET A 32 -10.086 -15.865 -1.416 1.00 61.52 H new ATOM 0 HG3 MET A 32 -9.864 -16.065 -3.143 1.00 61.52 H new ATOM 0 HE1 MET A 32 -13.783 -16.186 -2.815 1.00 14.41 H new ATOM 0 HE2 MET A 32 -12.649 -15.167 -1.896 1.00 14.41 H new ATOM 0 HE3 MET A 32 -12.398 -15.430 -3.639 1.00 14.41 H new ATOM 486 N VAL A 33 -7.222 -17.700 -4.601 1.00 52.52 N ATOM 487 CA VAL A 33 -6.736 -17.073 -5.836 1.00 54.14 C ATOM 488 C VAL A 33 -6.728 -18.101 -6.983 1.00 33.32 C ATOM 489 O VAL A 33 -7.253 -17.829 -8.060 1.00 3.41 O ATOM 490 CB VAL A 33 -5.305 -16.468 -5.639 1.00 23.34 C ATOM 491 CG1 VAL A 33 -4.807 -15.744 -6.916 1.00 11.23 C ATOM 492 CG2 VAL A 33 -5.272 -15.524 -4.412 1.00 43.32 C ATOM 0 H VAL A 33 -6.496 -17.834 -3.897 1.00 52.52 H new ATOM 0 HA VAL A 33 -7.413 -16.258 -6.092 1.00 54.14 H new ATOM 0 HB VAL A 33 -4.621 -17.295 -5.451 1.00 23.34 H new ATOM 0 HG11 VAL A 33 -3.811 -15.338 -6.739 1.00 11.23 H new ATOM 0 HG12 VAL A 33 -4.769 -16.452 -7.744 1.00 11.23 H new ATOM 0 HG13 VAL A 33 -5.491 -14.932 -7.164 1.00 11.23 H new ATOM 0 HG21 VAL A 33 -4.268 -15.115 -4.294 1.00 43.32 H new ATOM 0 HG22 VAL A 33 -5.981 -14.709 -4.561 1.00 43.32 H new ATOM 0 HG23 VAL A 33 -5.544 -16.082 -3.516 1.00 43.32 H new ATOM 502 N HIS A 34 -6.168 -19.295 -6.690 1.00 15.33 N ATOM 503 CA HIS A 34 -6.046 -20.416 -7.649 1.00 31.14 C ATOM 504 C HIS A 34 -7.432 -20.837 -8.192 1.00 65.12 C ATOM 505 O HIS A 34 -7.587 -21.136 -9.386 1.00 12.14 O ATOM 506 CB HIS A 34 -5.355 -21.615 -6.936 1.00 31.13 C ATOM 507 CG HIS A 34 -5.024 -22.792 -7.821 1.00 52.30 C ATOM 508 ND1 HIS A 34 -3.783 -22.982 -8.379 1.00 11.05 N ATOM 509 CD2 HIS A 34 -5.762 -23.868 -8.200 1.00 52.21 C ATOM 510 CE1 HIS A 34 -3.774 -24.101 -9.065 1.00 3.13 C ATOM 511 NE2 HIS A 34 -4.957 -24.660 -8.973 1.00 42.31 N ATOM 0 H HIS A 34 -5.783 -19.510 -5.770 1.00 15.33 H new ATOM 0 HA HIS A 34 -5.444 -20.095 -8.499 1.00 31.14 H new ATOM 0 HB2 HIS A 34 -4.434 -21.259 -6.474 1.00 31.13 H new ATOM 0 HB3 HIS A 34 -6.003 -21.959 -6.130 1.00 31.13 H new ATOM 0 HD2 HIS A 34 -6.792 -24.062 -7.940 1.00 52.21 H new ATOM 0 HE1 HIS A 34 -2.932 -24.496 -9.614 1.00 3.13 H new ATOM 0 HE2 HIS A 34 -5.232 -25.541 -9.407 1.00 42.31 H new ATOM 520 N LYS A 35 -8.417 -20.831 -7.282 1.00 75.50 N ATOM 521 CA LYS A 35 -9.791 -21.270 -7.534 1.00 22.35 C ATOM 522 C LYS A 35 -10.509 -20.302 -8.490 1.00 2.44 C ATOM 523 O LYS A 35 -10.957 -20.713 -9.563 1.00 35.42 O ATOM 524 CB LYS A 35 -10.543 -21.380 -6.180 1.00 71.10 C ATOM 525 CG LYS A 35 -12.049 -21.713 -6.290 1.00 1.32 C ATOM 526 CD LYS A 35 -12.735 -21.813 -4.901 1.00 42.43 C ATOM 527 CE LYS A 35 -14.259 -21.928 -5.017 1.00 73.12 C ATOM 528 NZ LYS A 35 -14.923 -21.999 -3.697 1.00 31.20 N ATOM 0 H LYS A 35 -8.272 -20.511 -6.324 1.00 75.50 H new ATOM 0 HA LYS A 35 -9.777 -22.248 -8.016 1.00 22.35 H new ATOM 0 HB2 LYS A 35 -10.060 -22.148 -5.576 1.00 71.10 H new ATOM 0 HB3 LYS A 35 -10.434 -20.437 -5.644 1.00 71.10 H new ATOM 0 HG2 LYS A 35 -12.546 -20.945 -6.883 1.00 1.32 H new ATOM 0 HG3 LYS A 35 -12.172 -22.656 -6.822 1.00 1.32 H new ATOM 0 HD2 LYS A 35 -12.346 -22.680 -4.367 1.00 42.43 H new ATOM 0 HD3 LYS A 35 -12.482 -20.934 -4.308 1.00 42.43 H new ATOM 0 HE2 LYS A 35 -14.644 -21.070 -5.568 1.00 73.12 H new ATOM 0 HE3 LYS A 35 -14.510 -22.817 -5.595 1.00 73.12 H new ATOM 0 HZ1 LYS A 35 -15.952 -22.076 -3.830 1.00 31.20 H new ATOM 0 HZ2 LYS A 35 -14.578 -22.832 -3.179 1.00 31.20 H new ATOM 0 HZ3 LYS A 35 -14.707 -21.139 -3.153 1.00 31.20 H new ATOM 542 N ARG A 36 -10.566 -19.006 -8.092 1.00 14.25 N ATOM 543 CA ARG A 36 -11.298 -17.947 -8.831 1.00 64.50 C ATOM 544 C ARG A 36 -10.652 -17.714 -10.219 1.00 12.44 C ATOM 545 O ARG A 36 -11.356 -17.526 -11.219 1.00 21.41 O ATOM 546 CB ARG A 36 -11.323 -16.629 -7.984 1.00 51.30 C ATOM 547 CG ARG A 36 -12.478 -15.614 -8.263 1.00 43.01 C ATOM 548 CD ARG A 36 -12.452 -14.981 -9.669 1.00 35.34 C ATOM 549 NE ARG A 36 -11.127 -14.403 -9.990 1.00 5.03 N ATOM 550 CZ ARG A 36 -10.673 -14.146 -11.229 1.00 15.42 C ATOM 551 NH1 ARG A 36 -11.422 -14.397 -12.294 1.00 2.23 N ATOM 552 NH2 ARG A 36 -9.449 -13.683 -11.400 1.00 24.13 N ATOM 0 H ARG A 36 -10.105 -18.666 -7.248 1.00 14.25 H new ATOM 0 HA ARG A 36 -12.327 -18.267 -8.995 1.00 64.50 H new ATOM 0 HB2 ARG A 36 -11.366 -16.907 -6.931 1.00 51.30 H new ATOM 0 HB3 ARG A 36 -10.376 -16.112 -8.139 1.00 51.30 H new ATOM 0 HG2 ARG A 36 -13.432 -16.123 -8.126 1.00 43.01 H new ATOM 0 HG3 ARG A 36 -12.432 -14.818 -7.520 1.00 43.01 H new ATOM 0 HD2 ARG A 36 -12.708 -15.736 -10.412 1.00 35.34 H new ATOM 0 HD3 ARG A 36 -13.212 -14.202 -9.731 1.00 35.34 H new ATOM 0 HE ARG A 36 -10.510 -14.182 -9.209 1.00 5.03 H new ATOM 0 HH11 ARG A 36 -12.356 -14.790 -12.179 1.00 2.23 H new ATOM 0 HH12 ARG A 36 -11.064 -14.197 -13.228 1.00 2.23 H new ATOM 0 HH21 ARG A 36 -8.848 -13.520 -10.592 1.00 24.13 H new ATOM 0 HH22 ARG A 36 -9.104 -13.488 -12.340 1.00 24.13 H new ATOM 566 N SER A 37 -9.309 -17.758 -10.267 1.00 51.31 N ATOM 567 CA SER A 37 -8.525 -17.540 -11.505 1.00 72.24 C ATOM 568 C SER A 37 -8.846 -18.595 -12.590 1.00 23.52 C ATOM 569 O SER A 37 -8.599 -18.361 -13.782 1.00 51.54 O ATOM 570 CB SER A 37 -7.012 -17.548 -11.162 1.00 61.24 C ATOM 571 OG SER A 37 -6.205 -17.253 -12.282 1.00 22.10 O ATOM 0 H SER A 37 -8.731 -17.946 -9.448 1.00 51.31 H new ATOM 0 HA SER A 37 -8.802 -16.570 -11.918 1.00 72.24 H new ATOM 0 HB2 SER A 37 -6.817 -16.820 -10.375 1.00 61.24 H new ATOM 0 HB3 SER A 37 -6.737 -18.526 -10.767 1.00 61.24 H new ATOM 0 HG SER A 37 -5.261 -17.268 -12.018 1.00 22.10 H new ATOM 577 N HIS A 38 -9.419 -19.736 -12.166 1.00 31.52 N ATOM 578 CA HIS A 38 -9.695 -20.886 -13.049 1.00 42.01 C ATOM 579 C HIS A 38 -11.192 -21.298 -12.985 1.00 61.10 C ATOM 580 O HIS A 38 -11.600 -22.274 -13.626 1.00 23.10 O ATOM 581 CB HIS A 38 -8.763 -22.048 -12.611 1.00 55.13 C ATOM 582 CG HIS A 38 -8.744 -23.240 -13.532 1.00 74.41 C ATOM 583 ND1 HIS A 38 -9.439 -24.407 -13.283 1.00 42.53 N ATOM 584 CD2 HIS A 38 -8.088 -23.444 -14.697 1.00 34.43 C ATOM 585 CE1 HIS A 38 -9.206 -25.269 -14.253 1.00 51.32 C ATOM 586 NE2 HIS A 38 -8.389 -24.708 -15.117 1.00 22.01 N ATOM 0 H HIS A 38 -9.705 -19.888 -11.199 1.00 31.52 H new ATOM 0 HA HIS A 38 -9.497 -20.622 -14.088 1.00 42.01 H new ATOM 0 HB2 HIS A 38 -7.747 -21.663 -12.521 1.00 55.13 H new ATOM 0 HB3 HIS A 38 -9.067 -22.381 -11.619 1.00 55.13 H new ATOM 0 HD2 HIS A 38 -7.445 -22.738 -15.202 1.00 34.43 H new ATOM 0 HE1 HIS A 38 -9.616 -26.265 -14.325 1.00 51.32 H new ATOM 0 HE2 HIS A 38 -8.036 -25.148 -15.967 1.00 22.01 H new ATOM 595 N THR A 39 -12.017 -20.522 -12.239 1.00 22.13 N ATOM 596 CA THR A 39 -13.423 -20.896 -11.949 1.00 33.21 C ATOM 597 C THR A 39 -14.330 -20.792 -13.189 1.00 63.32 C ATOM 598 O THR A 39 -15.402 -21.416 -13.233 1.00 24.01 O ATOM 599 CB THR A 39 -14.033 -20.050 -10.771 1.00 23.23 C ATOM 600 OG1 THR A 39 -15.241 -20.670 -10.309 1.00 34.22 O ATOM 601 CG2 THR A 39 -14.350 -18.592 -11.168 1.00 71.43 C ATOM 0 H THR A 39 -11.732 -19.633 -11.827 1.00 22.13 H new ATOM 0 HA THR A 39 -13.388 -21.941 -11.642 1.00 33.21 H new ATOM 0 HB THR A 39 -13.276 -20.021 -9.987 1.00 23.23 H new ATOM 0 HG1 THR A 39 -15.701 -21.092 -11.064 1.00 34.22 H new ATOM 0 HG21 THR A 39 -14.768 -18.064 -10.311 1.00 71.43 H new ATOM 0 HG22 THR A 39 -13.435 -18.095 -11.489 1.00 71.43 H new ATOM 0 HG23 THR A 39 -15.072 -18.586 -11.985 1.00 71.43 H new ATOM 609 N GLY A 40 -13.908 -20.008 -14.186 1.00 32.43 N ATOM 610 CA GLY A 40 -14.677 -19.833 -15.410 1.00 55.53 C ATOM 611 C GLY A 40 -13.777 -19.472 -16.576 1.00 72.24 C ATOM 612 O GLY A 40 -12.992 -20.311 -17.027 1.00 32.25 O ATOM 0 H GLY A 40 -13.033 -19.485 -14.163 1.00 32.43 H new ATOM 0 HA2 GLY A 40 -15.219 -20.751 -15.636 1.00 55.53 H new ATOM 0 HA3 GLY A 40 -15.422 -19.050 -15.266 1.00 55.53 H new ATOM 616 N GLU A 41 -13.894 -18.225 -17.050 1.00 25.34 N ATOM 617 CA GLU A 41 -13.097 -17.698 -18.165 1.00 4.10 C ATOM 618 C GLU A 41 -11.638 -17.440 -17.730 1.00 34.15 C ATOM 619 O GLU A 41 -11.392 -16.767 -16.720 1.00 71.35 O ATOM 620 CB GLU A 41 -13.733 -16.384 -18.709 1.00 42.03 C ATOM 621 CG GLU A 41 -12.955 -15.725 -19.886 1.00 74.43 C ATOM 622 CD GLU A 41 -13.562 -14.395 -20.355 1.00 31.13 C ATOM 623 OE1 GLU A 41 -13.397 -13.380 -19.648 1.00 3.14 O ATOM 624 OE2 GLU A 41 -14.208 -14.350 -21.427 1.00 73.02 O ATOM 0 H GLU A 41 -14.552 -17.547 -16.666 1.00 25.34 H new ATOM 0 HA GLU A 41 -13.090 -18.445 -18.958 1.00 4.10 H new ATOM 0 HB2 GLU A 41 -14.750 -16.597 -19.038 1.00 42.03 H new ATOM 0 HB3 GLU A 41 -13.806 -15.666 -17.892 1.00 42.03 H new ATOM 0 HG2 GLU A 41 -11.923 -15.556 -19.579 1.00 74.43 H new ATOM 0 HG3 GLU A 41 -12.928 -16.419 -20.726 1.00 74.43 H new ATOM 631 N ARG A 42 -10.697 -18.016 -18.484 1.00 4.42 N ATOM 632 CA ARG A 42 -9.268 -17.689 -18.375 1.00 32.02 C ATOM 633 C ARG A 42 -8.999 -16.329 -19.078 1.00 21.14 C ATOM 634 O ARG A 42 -9.380 -16.157 -20.247 1.00 51.31 O ATOM 635 CB ARG A 42 -8.408 -18.834 -18.995 1.00 60.23 C ATOM 636 CG ARG A 42 -8.785 -19.206 -20.452 1.00 71.01 C ATOM 637 CD ARG A 42 -7.941 -20.347 -21.031 1.00 72.33 C ATOM 638 NE ARG A 42 -8.378 -20.718 -22.396 1.00 33.14 N ATOM 639 CZ ARG A 42 -7.680 -21.467 -23.265 1.00 12.31 C ATOM 640 NH1 ARG A 42 -6.474 -21.942 -22.947 1.00 2.33 N ATOM 641 NH2 ARG A 42 -8.208 -21.743 -24.457 1.00 64.41 N ATOM 0 H ARG A 42 -10.903 -18.724 -19.189 1.00 4.42 H new ATOM 0 HA ARG A 42 -8.986 -17.597 -17.326 1.00 32.02 H new ATOM 0 HB2 ARG A 42 -7.359 -18.538 -18.969 1.00 60.23 H new ATOM 0 HB3 ARG A 42 -8.504 -19.722 -18.370 1.00 60.23 H new ATOM 0 HG2 ARG A 42 -9.837 -19.490 -20.485 1.00 71.01 H new ATOM 0 HG3 ARG A 42 -8.673 -18.325 -21.084 1.00 71.01 H new ATOM 0 HD2 ARG A 42 -6.893 -20.048 -21.054 1.00 72.33 H new ATOM 0 HD3 ARG A 42 -8.010 -21.217 -20.378 1.00 72.33 H new ATOM 0 HE ARG A 42 -9.288 -20.375 -22.703 1.00 33.14 H new ATOM 0 HH11 ARG A 42 -6.070 -21.738 -22.033 1.00 2.33 H new ATOM 0 HH12 ARG A 42 -5.956 -22.510 -23.618 1.00 2.33 H new ATOM 0 HH21 ARG A 42 -9.132 -21.386 -24.700 1.00 64.41 H new ATOM 0 HH22 ARG A 42 -7.688 -22.311 -25.126 1.00 64.41 H new ATOM 655 N PRO A 43 -8.405 -15.321 -18.361 1.00 13.44 N ATOM 656 CA PRO A 43 -8.008 -14.040 -18.995 1.00 62.12 C ATOM 657 C PRO A 43 -6.847 -14.236 -19.993 1.00 51.55 C ATOM 658 O PRO A 43 -6.263 -15.329 -20.078 1.00 53.23 O ATOM 659 CB PRO A 43 -7.607 -13.138 -17.790 1.00 35.50 C ATOM 660 CG PRO A 43 -7.261 -14.093 -16.679 1.00 23.35 C ATOM 661 CD PRO A 43 -8.120 -15.327 -16.896 1.00 3.44 C ATOM 0 HA PRO A 43 -8.806 -13.597 -19.591 1.00 62.12 H new ATOM 0 HB2 PRO A 43 -6.758 -12.501 -18.040 1.00 35.50 H new ATOM 0 HB3 PRO A 43 -8.426 -12.479 -17.502 1.00 35.50 H new ATOM 0 HG2 PRO A 43 -6.201 -14.348 -16.701 1.00 23.35 H new ATOM 0 HG3 PRO A 43 -7.461 -13.646 -15.705 1.00 23.35 H new ATOM 0 HD2 PRO A 43 -7.596 -16.235 -16.596 1.00 3.44 H new ATOM 0 HD3 PRO A 43 -9.039 -15.281 -16.311 1.00 3.44 H new ATOM 669 N PHE A 44 -6.526 -13.180 -20.756 1.00 13.31 N ATOM 670 CA PHE A 44 -5.481 -13.238 -21.798 1.00 30.31 C ATOM 671 C PHE A 44 -4.094 -13.186 -21.146 1.00 34.23 C ATOM 672 O PHE A 44 -3.867 -12.377 -20.248 1.00 70.45 O ATOM 673 CB PHE A 44 -5.672 -12.078 -22.816 1.00 45.02 C ATOM 674 CG PHE A 44 -7.050 -12.094 -23.468 1.00 1.13 C ATOM 675 CD1 PHE A 44 -7.340 -13.007 -24.482 1.00 61.40 C ATOM 676 CD2 PHE A 44 -8.069 -11.239 -23.035 1.00 72.43 C ATOM 677 CE1 PHE A 44 -8.598 -13.056 -25.048 1.00 61.00 C ATOM 678 CE2 PHE A 44 -9.324 -11.295 -23.600 1.00 54.24 C ATOM 679 CZ PHE A 44 -9.588 -12.203 -24.605 1.00 43.34 C ATOM 0 H PHE A 44 -6.977 -12.269 -20.672 1.00 13.31 H new ATOM 0 HA PHE A 44 -5.566 -14.178 -22.344 1.00 30.31 H new ATOM 0 HB2 PHE A 44 -5.525 -11.125 -22.308 1.00 45.02 H new ATOM 0 HB3 PHE A 44 -4.907 -12.148 -23.589 1.00 45.02 H new ATOM 0 HD1 PHE A 44 -6.572 -13.683 -24.828 1.00 61.40 H new ATOM 0 HD2 PHE A 44 -7.869 -10.526 -22.248 1.00 72.43 H new ATOM 0 HE1 PHE A 44 -8.807 -13.762 -25.838 1.00 61.00 H new ATOM 0 HE2 PHE A 44 -10.101 -10.628 -23.256 1.00 54.24 H new ATOM 0 HZ PHE A 44 -10.573 -12.246 -25.046 1.00 43.34 H new ATOM 689 N HIS A 45 -3.188 -14.090 -21.556 1.00 52.11 N ATOM 690 CA HIS A 45 -1.833 -14.182 -20.982 1.00 40.44 C ATOM 691 C HIS A 45 -0.822 -14.368 -22.099 1.00 41.20 C ATOM 692 O HIS A 45 -1.014 -15.224 -22.969 1.00 5.31 O ATOM 693 CB HIS A 45 -1.708 -15.389 -20.011 1.00 4.12 C ATOM 694 CG HIS A 45 -2.729 -15.426 -18.902 1.00 24.34 C ATOM 695 ND1 HIS A 45 -3.657 -16.440 -18.773 1.00 1.42 N ATOM 696 CD2 HIS A 45 -2.957 -14.584 -17.865 1.00 75.32 C ATOM 697 CE1 HIS A 45 -4.403 -16.221 -17.713 1.00 62.45 C ATOM 698 NE2 HIS A 45 -4.001 -15.106 -17.149 1.00 43.41 N ATOM 0 H HIS A 45 -3.372 -14.774 -22.290 1.00 52.11 H new ATOM 0 HA HIS A 45 -1.643 -13.261 -20.431 1.00 40.44 H new ATOM 0 HB2 HIS A 45 -1.788 -16.310 -20.589 1.00 4.12 H new ATOM 0 HB3 HIS A 45 -0.713 -15.377 -19.567 1.00 4.12 H new ATOM 0 HD1 HIS A 45 -3.750 -17.237 -19.403 1.00 1.42 H new ATOM 0 HD2 HIS A 45 -2.418 -13.674 -17.645 1.00 75.32 H new ATOM 0 HE1 HIS A 45 -5.209 -16.851 -17.366 1.00 62.45 H new ATOM 707 N CYS A 46 0.245 -13.569 -22.077 1.00 74.25 N ATOM 708 CA CYS A 46 1.438 -13.820 -22.889 1.00 2.32 C ATOM 709 C CYS A 46 2.495 -14.464 -21.995 1.00 70.43 C ATOM 710 O CYS A 46 2.947 -13.833 -21.026 1.00 15.41 O ATOM 711 CB CYS A 46 1.986 -12.522 -23.488 1.00 11.31 C ATOM 712 SG CYS A 46 3.510 -12.757 -24.480 1.00 50.04 S ATOM 0 H CYS A 46 0.308 -12.732 -21.498 1.00 74.25 H new ATOM 0 HA CYS A 46 1.177 -14.480 -23.716 1.00 2.32 H new ATOM 0 HB2 CYS A 46 1.219 -12.070 -24.117 1.00 11.31 H new ATOM 0 HB3 CYS A 46 2.192 -11.818 -22.682 1.00 11.31 H new ATOM 0 HG CYS A 46 4.517 -12.211 -23.865 1.00 50.04 H new ATOM 717 N ASN A 47 2.900 -15.693 -22.349 1.00 2.40 N ATOM 718 CA ASN A 47 3.777 -16.533 -21.523 1.00 45.40 C ATOM 719 C ASN A 47 5.184 -15.932 -21.369 1.00 43.15 C ATOM 720 O ASN A 47 5.598 -15.602 -20.250 1.00 23.13 O ATOM 721 CB ASN A 47 3.865 -17.975 -22.099 1.00 23.10 C ATOM 722 CG ASN A 47 2.508 -18.685 -22.208 1.00 32.40 C ATOM 723 OD1 ASN A 47 1.577 -18.425 -21.438 1.00 43.13 O ATOM 724 ND2 ASN A 47 2.385 -19.595 -23.157 1.00 42.22 N ATOM 0 H ASN A 47 2.624 -16.135 -23.226 1.00 2.40 H new ATOM 0 HA ASN A 47 3.330 -16.575 -20.530 1.00 45.40 H new ATOM 0 HB2 ASN A 47 4.323 -17.934 -23.087 1.00 23.10 H new ATOM 0 HB3 ASN A 47 4.525 -18.569 -21.467 1.00 23.10 H new ATOM 0 HD21 ASN A 47 1.507 -20.102 -23.267 1.00 42.22 H new ATOM 0 HD22 ASN A 47 3.168 -19.791 -23.780 1.00 42.22 H new ATOM 731 N GLN A 48 5.901 -15.756 -22.504 1.00 34.43 N ATOM 732 CA GLN A 48 7.309 -15.304 -22.504 1.00 20.31 C ATOM 733 C GLN A 48 7.401 -13.758 -22.506 1.00 55.34 C ATOM 734 O GLN A 48 7.855 -13.121 -23.467 1.00 60.24 O ATOM 735 CB GLN A 48 8.102 -15.958 -23.671 1.00 12.20 C ATOM 736 CG GLN A 48 7.544 -15.685 -25.086 1.00 74.01 C ATOM 737 CD GLN A 48 8.338 -16.379 -26.188 1.00 1.55 C ATOM 738 OE1 GLN A 48 8.860 -17.476 -26.003 1.00 63.20 O ATOM 739 NE2 GLN A 48 8.471 -15.737 -27.336 1.00 52.00 N ATOM 0 H GLN A 48 5.522 -15.922 -23.436 1.00 34.43 H new ATOM 0 HA GLN A 48 7.780 -15.639 -21.580 1.00 20.31 H new ATOM 0 HB2 GLN A 48 9.132 -15.605 -23.631 1.00 12.20 H new ATOM 0 HB3 GLN A 48 8.128 -17.036 -23.511 1.00 12.20 H new ATOM 0 HG2 GLN A 48 6.506 -16.016 -25.131 1.00 74.01 H new ATOM 0 HG3 GLN A 48 7.544 -14.610 -25.269 1.00 74.01 H new ATOM 0 HE21 GLN A 48 8.028 -14.827 -27.466 1.00 52.00 H new ATOM 0 HE22 GLN A 48 9.016 -16.151 -28.092 1.00 52.00 H new ATOM 748 N CYS A 49 6.895 -13.186 -21.389 1.00 52.32 N ATOM 749 CA CYS A 49 7.025 -11.768 -21.003 1.00 54.22 C ATOM 750 C CYS A 49 6.265 -11.553 -19.683 1.00 14.22 C ATOM 751 O CYS A 49 6.659 -10.710 -18.868 1.00 30.24 O ATOM 752 CB CYS A 49 6.454 -10.807 -22.072 1.00 62.01 C ATOM 753 SG CYS A 49 4.688 -11.088 -22.421 1.00 20.35 S ATOM 0 H CYS A 49 6.363 -13.725 -20.706 1.00 52.32 H new ATOM 0 HA CYS A 49 8.087 -11.545 -20.897 1.00 54.22 H new ATOM 0 HB2 CYS A 49 6.592 -9.779 -21.738 1.00 62.01 H new ATOM 0 HB3 CYS A 49 7.023 -10.921 -22.995 1.00 62.01 H new ATOM 758 N GLY A 50 5.173 -12.324 -19.482 1.00 3.24 N ATOM 759 CA GLY A 50 4.317 -12.173 -18.310 1.00 33.35 C ATOM 760 C GLY A 50 3.427 -10.949 -18.419 1.00 5.21 C ATOM 761 O GLY A 50 3.299 -10.180 -17.465 1.00 63.12 O ATOM 0 H GLY A 50 4.873 -13.056 -20.125 1.00 3.24 H new ATOM 0 HA2 GLY A 50 3.699 -13.063 -18.194 1.00 33.35 H new ATOM 0 HA3 GLY A 50 4.935 -12.095 -17.416 1.00 33.35 H new ATOM 765 N ALA A 51 2.831 -10.755 -19.608 1.00 60.42 N ATOM 766 CA ALA A 51 1.929 -9.630 -19.889 1.00 35.44 C ATOM 767 C ALA A 51 0.489 -10.150 -20.009 1.00 4.15 C ATOM 768 O ALA A 51 0.126 -10.764 -21.020 1.00 61.34 O ATOM 769 CB ALA A 51 2.375 -8.911 -21.177 1.00 34.20 C ATOM 0 H ALA A 51 2.964 -11.379 -20.404 1.00 60.42 H new ATOM 0 HA ALA A 51 1.968 -8.909 -19.072 1.00 35.44 H new ATOM 0 HB1 ALA A 51 1.702 -8.078 -21.380 1.00 34.20 H new ATOM 0 HB2 ALA A 51 3.390 -8.535 -21.051 1.00 34.20 H new ATOM 0 HB3 ALA A 51 2.348 -9.611 -22.012 1.00 34.20 H new ATOM 775 N SER A 52 -0.286 -9.969 -18.938 1.00 15.45 N ATOM 776 CA SER A 52 -1.714 -10.321 -18.907 1.00 1.41 C ATOM 777 C SER A 52 -2.559 -9.150 -19.451 1.00 14.04 C ATOM 778 O SER A 52 -2.276 -7.984 -19.151 1.00 21.44 O ATOM 779 CB SER A 52 -2.124 -10.678 -17.458 1.00 33.12 C ATOM 780 OG SER A 52 -1.801 -9.631 -16.561 1.00 64.30 O ATOM 0 H SER A 52 0.057 -9.573 -18.063 1.00 15.45 H new ATOM 0 HA SER A 52 -1.893 -11.188 -19.543 1.00 1.41 H new ATOM 0 HB2 SER A 52 -3.195 -10.876 -17.419 1.00 33.12 H new ATOM 0 HB3 SER A 52 -1.619 -11.593 -17.150 1.00 33.12 H new ATOM 0 HG SER A 52 -2.072 -9.882 -15.653 1.00 64.30 H new ATOM 786 N PHE A 53 -3.586 -9.472 -20.261 1.00 64.05 N ATOM 787 CA PHE A 53 -4.460 -8.477 -20.904 1.00 31.22 C ATOM 788 C PHE A 53 -5.934 -8.797 -20.621 1.00 71.11 C ATOM 789 O PHE A 53 -6.302 -9.961 -20.407 1.00 14.32 O ATOM 790 CB PHE A 53 -4.195 -8.444 -22.433 1.00 3.30 C ATOM 791 CG PHE A 53 -2.755 -8.070 -22.812 1.00 63.25 C ATOM 792 CD1 PHE A 53 -2.302 -6.752 -22.691 1.00 22.14 C ATOM 793 CD2 PHE A 53 -1.856 -9.029 -23.280 1.00 53.03 C ATOM 794 CE1 PHE A 53 -1.007 -6.410 -23.038 1.00 71.14 C ATOM 795 CE2 PHE A 53 -0.564 -8.685 -23.626 1.00 34.10 C ATOM 796 CZ PHE A 53 -0.141 -7.375 -23.505 1.00 72.42 C ATOM 0 H PHE A 53 -3.832 -10.436 -20.488 1.00 64.05 H new ATOM 0 HA PHE A 53 -4.237 -7.494 -20.490 1.00 31.22 H new ATOM 0 HB2 PHE A 53 -4.427 -9.423 -22.852 1.00 3.30 H new ATOM 0 HB3 PHE A 53 -4.878 -7.730 -22.894 1.00 3.30 H new ATOM 0 HD1 PHE A 53 -2.973 -5.990 -22.321 1.00 22.14 H new ATOM 0 HD2 PHE A 53 -2.176 -10.056 -23.373 1.00 53.03 H new ATOM 0 HE1 PHE A 53 -0.675 -5.387 -22.943 1.00 71.14 H new ATOM 0 HE2 PHE A 53 0.116 -9.440 -23.991 1.00 34.10 H new ATOM 0 HZ PHE A 53 0.869 -7.107 -23.777 1.00 72.42 H new ATOM 806 N THR A 54 -6.766 -7.746 -20.596 1.00 3.44 N ATOM 807 CA THR A 54 -8.231 -7.876 -20.513 1.00 50.35 C ATOM 808 C THR A 54 -8.856 -7.760 -21.919 1.00 52.52 C ATOM 809 O THR A 54 -9.972 -8.240 -22.148 1.00 63.53 O ATOM 810 CB THR A 54 -8.852 -6.809 -19.543 1.00 32.05 C ATOM 811 OG1 THR A 54 -10.283 -6.992 -19.425 1.00 3.20 O ATOM 812 CG2 THR A 54 -8.559 -5.367 -19.988 1.00 12.03 C ATOM 0 H THR A 54 -6.443 -6.779 -20.633 1.00 3.44 H new ATOM 0 HA THR A 54 -8.458 -8.861 -20.104 1.00 50.35 H new ATOM 0 HB THR A 54 -8.379 -6.964 -18.573 1.00 32.05 H new ATOM 0 HG1 THR A 54 -10.650 -6.318 -18.815 1.00 3.20 H new ATOM 0 HG21 THR A 54 -9.011 -4.670 -19.283 1.00 12.03 H new ATOM 0 HG22 THR A 54 -7.481 -5.207 -20.016 1.00 12.03 H new ATOM 0 HG23 THR A 54 -8.977 -5.201 -20.981 1.00 12.03 H new ATOM 820 N GLN A 55 -8.122 -7.130 -22.857 1.00 45.54 N ATOM 821 CA GLN A 55 -8.578 -6.926 -24.232 1.00 50.42 C ATOM 822 C GLN A 55 -7.805 -7.872 -25.153 1.00 21.14 C ATOM 823 O GLN A 55 -6.571 -7.936 -25.075 1.00 0.21 O ATOM 824 CB GLN A 55 -8.360 -5.445 -24.648 1.00 11.41 C ATOM 825 CG GLN A 55 -9.153 -4.419 -23.793 1.00 54.25 C ATOM 826 CD GLN A 55 -10.678 -4.596 -23.860 1.00 73.15 C ATOM 827 OE1 GLN A 55 -11.392 -4.369 -22.876 1.00 1.42 O ATOM 828 NE2 GLN A 55 -11.208 -4.936 -25.025 1.00 3.12 N ATOM 0 H GLN A 55 -7.193 -6.750 -22.674 1.00 45.54 H new ATOM 0 HA GLN A 55 -9.643 -7.143 -24.310 1.00 50.42 H new ATOM 0 HB2 GLN A 55 -7.297 -5.213 -24.580 1.00 11.41 H new ATOM 0 HB3 GLN A 55 -8.646 -5.327 -25.693 1.00 11.41 H new ATOM 0 HG2 GLN A 55 -8.833 -4.503 -22.754 1.00 54.25 H new ATOM 0 HG3 GLN A 55 -8.899 -3.412 -24.125 1.00 54.25 H new ATOM 0 HE21 GLN A 55 -10.604 -5.120 -25.826 1.00 3.12 H new ATOM 0 HE22 GLN A 55 -12.220 -5.014 -25.121 1.00 3.12 H new ATOM 837 N LYS A 56 -8.539 -8.625 -25.990 1.00 51.54 N ATOM 838 CA LYS A 56 -7.951 -9.566 -26.954 1.00 60.24 C ATOM 839 C LYS A 56 -7.082 -8.829 -27.957 1.00 24.34 C ATOM 840 O LYS A 56 -6.025 -9.318 -28.286 1.00 44.22 O ATOM 841 CB LYS A 56 -9.054 -10.398 -27.661 1.00 55.14 C ATOM 842 CG LYS A 56 -10.046 -9.596 -28.536 1.00 65.35 C ATOM 843 CD LYS A 56 -11.166 -10.490 -29.118 1.00 53.44 C ATOM 844 CE LYS A 56 -10.624 -11.658 -29.973 1.00 10.21 C ATOM 845 NZ LYS A 56 -11.702 -12.575 -30.421 1.00 22.24 N ATOM 0 H LYS A 56 -9.558 -8.597 -26.016 1.00 51.54 H new ATOM 0 HA LYS A 56 -7.314 -10.263 -26.409 1.00 60.24 H new ATOM 0 HB2 LYS A 56 -8.571 -11.148 -28.287 1.00 55.14 H new ATOM 0 HB3 LYS A 56 -9.621 -10.935 -26.901 1.00 55.14 H new ATOM 0 HG2 LYS A 56 -10.492 -8.800 -27.940 1.00 65.35 H new ATOM 0 HG3 LYS A 56 -9.504 -9.118 -29.352 1.00 65.35 H new ATOM 0 HD2 LYS A 56 -11.764 -10.893 -28.300 1.00 53.44 H new ATOM 0 HD3 LYS A 56 -11.831 -9.879 -29.728 1.00 53.44 H new ATOM 0 HE2 LYS A 56 -10.105 -11.258 -30.844 1.00 10.21 H new ATOM 0 HE3 LYS A 56 -9.890 -12.219 -29.395 1.00 10.21 H new ATOM 0 HZ1 LYS A 56 -11.291 -13.342 -30.991 1.00 22.24 H new ATOM 0 HZ2 LYS A 56 -12.181 -12.979 -29.591 1.00 22.24 H new ATOM 0 HZ3 LYS A 56 -12.390 -12.048 -30.996 1.00 22.24 H new ATOM 859 N GLY A 57 -7.534 -7.631 -28.382 1.00 20.33 N ATOM 860 CA GLY A 57 -6.803 -6.803 -29.327 1.00 40.13 C ATOM 861 C GLY A 57 -5.403 -6.443 -28.836 1.00 71.13 C ATOM 862 O GLY A 57 -4.462 -6.439 -29.620 1.00 4.51 O ATOM 0 H GLY A 57 -8.416 -7.223 -28.072 1.00 20.33 H new ATOM 0 HA2 GLY A 57 -6.726 -7.328 -30.279 1.00 40.13 H new ATOM 0 HA3 GLY A 57 -7.365 -5.888 -29.512 1.00 40.13 H new ATOM 866 N ASN A 58 -5.267 -6.193 -27.515 1.00 14.21 N ATOM 867 CA ASN A 58 -3.967 -5.879 -26.880 1.00 10.33 C ATOM 868 C ASN A 58 -3.014 -7.083 -26.994 1.00 15.35 C ATOM 869 O ASN A 58 -1.846 -6.914 -27.325 1.00 55.21 O ATOM 870 CB ASN A 58 -4.157 -5.479 -25.390 1.00 53.43 C ATOM 871 CG ASN A 58 -4.874 -4.142 -25.181 1.00 52.31 C ATOM 872 OD1 ASN A 58 -5.709 -3.720 -25.983 1.00 34.33 O ATOM 873 ND2 ASN A 58 -4.565 -3.458 -24.090 1.00 75.50 N ATOM 0 H ASN A 58 -6.050 -6.203 -26.862 1.00 14.21 H new ATOM 0 HA ASN A 58 -3.528 -5.031 -27.405 1.00 10.33 H new ATOM 0 HB2 ASN A 58 -4.721 -6.263 -24.885 1.00 53.43 H new ATOM 0 HB3 ASN A 58 -3.179 -5.432 -24.911 1.00 53.43 H new ATOM 0 HD21 ASN A 58 -5.021 -2.565 -23.902 1.00 75.50 H new ATOM 0 HD22 ASN A 58 -3.871 -3.824 -23.438 1.00 75.50 H new ATOM 880 N LEU A 59 -3.548 -8.301 -26.753 1.00 51.54 N ATOM 881 CA LEU A 59 -2.775 -9.556 -26.887 1.00 72.45 C ATOM 882 C LEU A 59 -2.482 -9.871 -28.374 1.00 74.54 C ATOM 883 O LEU A 59 -1.406 -10.358 -28.702 1.00 20.40 O ATOM 884 CB LEU A 59 -3.525 -10.741 -26.225 1.00 75.02 C ATOM 885 CG LEU A 59 -2.766 -12.121 -26.242 1.00 10.04 C ATOM 886 CD1 LEU A 59 -1.437 -12.065 -25.448 1.00 41.40 C ATOM 887 CD2 LEU A 59 -3.670 -13.262 -25.742 1.00 12.41 C ATOM 0 H LEU A 59 -4.516 -8.442 -26.463 1.00 51.54 H new ATOM 0 HA LEU A 59 -1.825 -9.417 -26.371 1.00 72.45 H new ATOM 0 HB2 LEU A 59 -3.741 -10.478 -25.189 1.00 75.02 H new ATOM 0 HB3 LEU A 59 -4.484 -10.868 -26.728 1.00 75.02 H new ATOM 0 HG LEU A 59 -2.507 -12.330 -27.280 1.00 10.04 H new ATOM 0 HD11 LEU A 59 -0.948 -13.039 -25.487 1.00 41.40 H new ATOM 0 HD12 LEU A 59 -0.782 -11.312 -25.887 1.00 41.40 H new ATOM 0 HD13 LEU A 59 -1.644 -11.805 -24.410 1.00 41.40 H new ATOM 0 HD21 LEU A 59 -3.117 -14.201 -25.766 1.00 12.41 H new ATOM 0 HD22 LEU A 59 -3.988 -13.054 -24.720 1.00 12.41 H new ATOM 0 HD23 LEU A 59 -4.546 -13.340 -26.385 1.00 12.41 H new ATOM 899 N LEU A 60 -3.450 -9.552 -29.249 1.00 24.11 N ATOM 900 CA LEU A 60 -3.396 -9.883 -30.684 1.00 14.31 C ATOM 901 C LEU A 60 -2.359 -9.020 -31.427 1.00 21.21 C ATOM 902 O LEU A 60 -1.765 -9.472 -32.399 1.00 74.43 O ATOM 903 CB LEU A 60 -4.813 -9.763 -31.331 1.00 4.15 C ATOM 904 CG LEU A 60 -5.846 -10.879 -30.950 1.00 2.13 C ATOM 905 CD1 LEU A 60 -7.231 -10.585 -31.564 1.00 2.12 C ATOM 906 CD2 LEU A 60 -5.328 -12.277 -31.354 1.00 64.44 C ATOM 0 H LEU A 60 -4.298 -9.054 -28.979 1.00 24.11 H new ATOM 0 HA LEU A 60 -3.071 -10.919 -30.777 1.00 14.31 H new ATOM 0 HB2 LEU A 60 -5.235 -8.797 -31.054 1.00 4.15 H new ATOM 0 HB3 LEU A 60 -4.696 -9.761 -32.415 1.00 4.15 H new ATOM 0 HG LEU A 60 -5.962 -10.876 -29.866 1.00 2.13 H new ATOM 0 HD11 LEU A 60 -7.928 -11.375 -31.284 1.00 2.12 H new ATOM 0 HD12 LEU A 60 -7.598 -9.628 -31.192 1.00 2.12 H new ATOM 0 HD13 LEU A 60 -7.146 -10.544 -32.650 1.00 2.12 H new ATOM 0 HD21 LEU A 60 -6.064 -13.032 -31.078 1.00 64.44 H new ATOM 0 HD22 LEU A 60 -5.164 -12.307 -32.431 1.00 64.44 H new ATOM 0 HD23 LEU A 60 -4.389 -12.480 -30.838 1.00 64.44 H new ATOM 918 N ARG A 61 -2.181 -7.767 -30.979 1.00 52.45 N ATOM 919 CA ARG A 61 -1.105 -6.882 -31.479 1.00 40.23 C ATOM 920 C ARG A 61 0.241 -7.255 -30.815 1.00 73.15 C ATOM 921 O ARG A 61 1.298 -7.136 -31.439 1.00 50.25 O ATOM 922 CB ARG A 61 -1.436 -5.367 -31.280 1.00 23.25 C ATOM 923 CG ARG A 61 -2.371 -4.738 -32.354 1.00 33.05 C ATOM 924 CD ARG A 61 -3.758 -5.405 -32.419 1.00 42.33 C ATOM 925 NE ARG A 61 -4.684 -4.726 -33.350 1.00 13.51 N ATOM 926 CZ ARG A 61 -5.876 -4.204 -33.018 1.00 54.04 C ATOM 927 NH1 ARG A 61 -6.323 -4.263 -31.768 1.00 62.13 N ATOM 928 NH2 ARG A 61 -6.621 -3.630 -33.947 1.00 0.44 N ATOM 0 H ARG A 61 -2.771 -7.337 -30.266 1.00 52.45 H new ATOM 0 HA ARG A 61 -1.023 -7.038 -32.555 1.00 40.23 H new ATOM 0 HB2 ARG A 61 -1.899 -5.240 -30.301 1.00 23.25 H new ATOM 0 HB3 ARG A 61 -0.501 -4.808 -31.265 1.00 23.25 H new ATOM 0 HG2 ARG A 61 -2.496 -3.676 -32.141 1.00 33.05 H new ATOM 0 HG3 ARG A 61 -1.893 -4.813 -33.331 1.00 33.05 H new ATOM 0 HD2 ARG A 61 -3.641 -6.444 -32.726 1.00 42.33 H new ATOM 0 HD3 ARG A 61 -4.197 -5.415 -31.421 1.00 42.33 H new ATOM 0 HE ARG A 61 -4.394 -4.648 -34.325 1.00 13.51 H new ATOM 0 HH11 ARG A 61 -5.759 -4.709 -31.045 1.00 62.13 H new ATOM 0 HH12 ARG A 61 -7.230 -3.862 -31.531 1.00 62.13 H new ATOM 0 HH21 ARG A 61 -6.290 -3.585 -34.911 1.00 0.44 H new ATOM 0 HH22 ARG A 61 -7.527 -3.232 -33.700 1.00 0.44 H new ATOM 942 N HIS A 62 0.179 -7.733 -29.552 1.00 25.13 N ATOM 943 CA HIS A 62 1.365 -8.088 -28.738 1.00 54.13 C ATOM 944 C HIS A 62 2.133 -9.283 -29.339 1.00 41.33 C ATOM 945 O HIS A 62 3.362 -9.276 -29.395 1.00 5.03 O ATOM 946 CB HIS A 62 0.896 -8.412 -27.295 1.00 1.01 C ATOM 947 CG HIS A 62 1.973 -8.765 -26.317 1.00 44.13 C ATOM 948 ND1 HIS A 62 2.615 -7.829 -25.548 1.00 73.10 N ATOM 949 CD2 HIS A 62 2.477 -9.961 -25.958 1.00 55.02 C ATOM 950 CE1 HIS A 62 3.462 -8.456 -24.758 1.00 54.11 C ATOM 951 NE2 HIS A 62 3.415 -9.773 -24.968 1.00 21.34 N ATOM 0 H HIS A 62 -0.704 -7.885 -29.064 1.00 25.13 H new ATOM 0 HA HIS A 62 2.053 -7.242 -28.728 1.00 54.13 H new ATOM 0 HB2 HIS A 62 0.351 -7.550 -26.909 1.00 1.01 H new ATOM 0 HB3 HIS A 62 0.190 -9.241 -27.342 1.00 1.01 H new ATOM 0 HD1 HIS A 62 2.463 -6.821 -25.582 1.00 73.10 H new ATOM 0 HD2 HIS A 62 2.191 -10.914 -26.379 1.00 55.02 H new ATOM 0 HE1 HIS A 62 4.106 -7.971 -24.039 1.00 54.11 H new ATOM 959 N ILE A 63 1.375 -10.302 -29.768 1.00 12.20 N ATOM 960 CA ILE A 63 1.923 -11.550 -30.346 1.00 5.22 C ATOM 961 C ILE A 63 2.623 -11.320 -31.705 1.00 71.02 C ATOM 962 O ILE A 63 3.471 -12.123 -32.109 1.00 41.22 O ATOM 963 CB ILE A 63 0.840 -12.684 -30.450 1.00 43.20 C ATOM 964 CG1 ILE A 63 -0.368 -12.234 -31.337 1.00 65.23 C ATOM 965 CG2 ILE A 63 0.373 -13.113 -29.034 1.00 12.40 C ATOM 966 CD1 ILE A 63 -1.512 -13.240 -31.448 1.00 23.42 C ATOM 0 H ILE A 63 0.356 -10.289 -29.726 1.00 12.20 H new ATOM 0 HA ILE A 63 2.687 -11.890 -29.647 1.00 5.22 H new ATOM 0 HB ILE A 63 1.293 -13.548 -30.936 1.00 43.20 H new ATOM 0 HG12 ILE A 63 -0.765 -11.302 -30.935 1.00 65.23 H new ATOM 0 HG13 ILE A 63 0.001 -12.017 -32.340 1.00 65.23 H new ATOM 0 HG21 ILE A 63 -0.377 -13.899 -29.121 1.00 12.40 H new ATOM 0 HG22 ILE A 63 1.226 -13.486 -28.467 1.00 12.40 H new ATOM 0 HG23 ILE A 63 -0.058 -12.255 -28.518 1.00 12.40 H new ATOM 0 HD11 ILE A 63 -2.297 -12.830 -32.084 1.00 23.42 H new ATOM 0 HD12 ILE A 63 -1.140 -14.168 -31.883 1.00 23.42 H new ATOM 0 HD13 ILE A 63 -1.917 -13.441 -30.456 1.00 23.42 H new ATOM 978 N LYS A 64 2.225 -10.244 -32.411 1.00 34.30 N ATOM 979 CA LYS A 64 2.863 -9.808 -33.671 1.00 62.55 C ATOM 980 C LYS A 64 4.346 -9.424 -33.431 1.00 45.13 C ATOM 981 O LYS A 64 5.200 -9.655 -34.288 1.00 42.41 O ATOM 982 CB LYS A 64 2.070 -8.613 -34.261 1.00 33.51 C ATOM 983 CG LYS A 64 0.571 -8.917 -34.538 1.00 30.21 C ATOM 984 CD LYS A 64 -0.239 -7.671 -34.987 1.00 55.14 C ATOM 985 CE LYS A 64 0.223 -7.101 -36.338 1.00 3.35 C ATOM 986 NZ LYS A 64 -0.033 -8.058 -37.443 1.00 73.13 N ATOM 0 H LYS A 64 1.448 -9.649 -32.123 1.00 34.30 H new ATOM 0 HA LYS A 64 2.848 -10.632 -34.385 1.00 62.55 H new ATOM 0 HB2 LYS A 64 2.137 -7.771 -33.572 1.00 33.51 H new ATOM 0 HB3 LYS A 64 2.544 -8.301 -35.192 1.00 33.51 H new ATOM 0 HG2 LYS A 64 0.500 -9.684 -35.309 1.00 30.21 H new ATOM 0 HG3 LYS A 64 0.119 -9.329 -33.636 1.00 30.21 H new ATOM 0 HD2 LYS A 64 -1.294 -7.937 -35.054 1.00 55.14 H new ATOM 0 HD3 LYS A 64 -0.153 -6.896 -34.225 1.00 55.14 H new ATOM 0 HE2 LYS A 64 -0.298 -6.164 -36.537 1.00 3.35 H new ATOM 0 HE3 LYS A 64 1.287 -6.870 -36.293 1.00 3.35 H new ATOM 0 HZ1 LYS A 64 0.195 -7.607 -38.352 1.00 73.13 H new ATOM 0 HZ2 LYS A 64 0.562 -8.902 -37.316 1.00 73.13 H new ATOM 0 HZ3 LYS A 64 -1.035 -8.337 -37.436 1.00 73.13 H new ATOM 1000 N LEU A 65 4.641 -8.869 -32.231 1.00 34.30 N ATOM 1001 CA LEU A 65 6.019 -8.498 -31.829 1.00 23.24 C ATOM 1002 C LEU A 65 6.905 -9.750 -31.647 1.00 24.04 C ATOM 1003 O LEU A 65 8.131 -9.671 -31.813 1.00 23.45 O ATOM 1004 CB LEU A 65 6.038 -7.638 -30.533 1.00 60.41 C ATOM 1005 CG LEU A 65 5.636 -6.128 -30.673 1.00 74.32 C ATOM 1006 CD1 LEU A 65 4.155 -5.935 -31.066 1.00 42.11 C ATOM 1007 CD2 LEU A 65 5.984 -5.370 -29.380 1.00 35.14 C ATOM 0 H LEU A 65 3.938 -8.667 -31.520 1.00 34.30 H new ATOM 0 HA LEU A 65 6.428 -7.893 -32.638 1.00 23.24 H new ATOM 0 HB2 LEU A 65 5.367 -8.101 -29.809 1.00 60.41 H new ATOM 0 HB3 LEU A 65 7.042 -7.683 -30.111 1.00 60.41 H new ATOM 0 HG LEU A 65 6.216 -5.708 -31.495 1.00 74.32 H new ATOM 0 HD11 LEU A 65 3.936 -4.870 -31.148 1.00 42.11 H new ATOM 0 HD12 LEU A 65 3.967 -6.419 -32.024 1.00 42.11 H new ATOM 0 HD13 LEU A 65 3.515 -6.379 -30.304 1.00 42.11 H new ATOM 0 HD21 LEU A 65 5.702 -4.322 -29.485 1.00 35.14 H new ATOM 0 HD22 LEU A 65 5.441 -5.810 -28.543 1.00 35.14 H new ATOM 0 HD23 LEU A 65 7.056 -5.440 -29.194 1.00 35.14 H new ATOM 1019 N HIS A 66 6.278 -10.901 -31.317 1.00 64.23 N ATOM 1020 CA HIS A 66 6.978 -12.197 -31.180 1.00 60.52 C ATOM 1021 C HIS A 66 7.525 -12.677 -32.540 1.00 65.33 C ATOM 1022 O HIS A 66 8.551 -13.358 -32.594 1.00 2.34 O ATOM 1023 CB HIS A 66 6.043 -13.280 -30.569 1.00 4.21 C ATOM 1024 CG HIS A 66 5.666 -13.050 -29.126 1.00 50.21 C ATOM 1025 ND1 HIS A 66 6.076 -13.858 -28.093 1.00 23.23 N ATOM 1026 CD2 HIS A 66 4.896 -12.094 -28.567 1.00 3.23 C ATOM 1027 CE1 HIS A 66 5.555 -13.374 -26.964 1.00 52.21 C ATOM 1028 NE2 HIS A 66 4.825 -12.307 -27.200 1.00 75.22 N ATOM 0 H HIS A 66 5.275 -10.957 -31.139 1.00 64.23 H new ATOM 0 HA HIS A 66 7.817 -12.044 -30.502 1.00 60.52 H new ATOM 0 HB2 HIS A 66 5.131 -13.331 -31.164 1.00 4.21 H new ATOM 0 HB3 HIS A 66 6.532 -14.251 -30.652 1.00 4.21 H new ATOM 0 HD2 HIS A 66 4.411 -11.290 -29.101 1.00 3.23 H new ATOM 0 HE1 HIS A 66 5.712 -13.803 -25.985 1.00 52.21 H new ATOM 0 HE2 HIS A 66 4.312 -11.750 -26.517 1.00 75.22 H new ATOM 1036 N SER A 67 6.835 -12.292 -33.627 1.00 12.31 N ATOM 1037 CA SER A 67 7.241 -12.619 -34.998 1.00 24.10 C ATOM 1038 C SER A 67 8.194 -11.541 -35.565 1.00 0.05 C ATOM 1039 O SER A 67 8.569 -11.606 -36.738 1.00 14.44 O ATOM 1040 CB SER A 67 5.977 -12.760 -35.869 1.00 74.01 C ATOM 1041 OG SER A 67 5.082 -13.711 -35.317 1.00 5.22 O ATOM 0 H SER A 67 5.977 -11.743 -33.576 1.00 12.31 H new ATOM 0 HA SER A 67 7.788 -13.562 -35.001 1.00 24.10 H new ATOM 0 HB2 SER A 67 5.480 -11.794 -35.953 1.00 74.01 H new ATOM 0 HB3 SER A 67 6.258 -13.063 -36.878 1.00 74.01 H new ATOM 0 HG SER A 67 4.287 -13.781 -35.886 1.00 5.22 H new ATOM 1047 N GLY A 68 8.561 -10.538 -34.722 1.00 41.22 N ATOM 1048 CA GLY A 68 9.537 -9.500 -35.094 1.00 45.35 C ATOM 1049 C GLY A 68 8.914 -8.119 -35.292 1.00 41.24 C ATOM 1050 O GLY A 68 8.000 -7.738 -34.548 1.00 53.24 O ATOM 0 H GLY A 68 8.188 -10.434 -33.778 1.00 41.22 H new ATOM 0 HA2 GLY A 68 10.301 -9.437 -34.319 1.00 45.35 H new ATOM 0 HA3 GLY A 68 10.039 -9.798 -36.014 1.00 45.35 H new ATOM 1054 N GLU A 69 9.398 -7.388 -36.315 1.00 43.51 N ATOM 1055 CA GLU A 69 9.015 -5.992 -36.574 1.00 25.14 C ATOM 1056 C GLU A 69 7.736 -5.986 -37.426 1.00 63.53 C ATOM 1057 O GLU A 69 7.777 -6.188 -38.638 1.00 24.35 O ATOM 1058 CB GLU A 69 10.194 -5.235 -37.271 1.00 61.35 C ATOM 1059 CG GLU A 69 10.091 -3.678 -37.307 1.00 61.24 C ATOM 1060 CD GLU A 69 9.040 -3.110 -38.290 1.00 61.23 C ATOM 1061 OE1 GLU A 69 9.243 -3.235 -39.516 1.00 61.22 O ATOM 1062 OE2 GLU A 69 8.012 -2.566 -37.844 1.00 41.34 O ATOM 0 H GLU A 69 10.071 -7.755 -36.988 1.00 43.51 H new ATOM 0 HA GLU A 69 8.809 -5.469 -35.640 1.00 25.14 H new ATOM 0 HB2 GLU A 69 11.121 -5.505 -36.765 1.00 61.35 H new ATOM 0 HB3 GLU A 69 10.274 -5.596 -38.296 1.00 61.35 H new ATOM 0 HG2 GLU A 69 9.856 -3.322 -36.304 1.00 61.24 H new ATOM 0 HG3 GLU A 69 11.068 -3.271 -37.569 1.00 61.24 H new ATOM 1069 N LYS A 70 6.607 -5.847 -36.748 1.00 13.02 N ATOM 1070 CA LYS A 70 5.282 -5.676 -37.370 1.00 45.13 C ATOM 1071 C LYS A 70 4.808 -4.225 -37.116 1.00 63.20 C ATOM 1072 O LYS A 70 5.484 -3.511 -36.365 1.00 41.11 O ATOM 1073 CB LYS A 70 4.285 -6.745 -36.794 1.00 25.41 C ATOM 1074 CG LYS A 70 3.935 -7.930 -37.765 1.00 32.14 C ATOM 1075 CD LYS A 70 4.699 -9.245 -37.469 1.00 40.12 C ATOM 1076 CE LYS A 70 6.222 -9.145 -37.636 1.00 52.24 C ATOM 1077 NZ LYS A 70 6.623 -8.768 -39.015 1.00 43.22 N ATOM 0 H LYS A 70 6.574 -5.849 -35.729 1.00 13.02 H new ATOM 0 HA LYS A 70 5.329 -5.836 -38.447 1.00 45.13 H new ATOM 0 HB2 LYS A 70 4.711 -7.160 -35.880 1.00 25.41 H new ATOM 0 HB3 LYS A 70 3.360 -6.241 -36.514 1.00 25.41 H new ATOM 0 HG2 LYS A 70 2.864 -8.125 -37.709 1.00 32.14 H new ATOM 0 HG3 LYS A 70 4.150 -7.621 -38.788 1.00 32.14 H new ATOM 0 HD2 LYS A 70 4.477 -9.558 -36.449 1.00 40.12 H new ATOM 0 HD3 LYS A 70 4.324 -10.026 -38.130 1.00 40.12 H new ATOM 0 HE2 LYS A 70 6.613 -8.408 -36.934 1.00 52.24 H new ATOM 0 HE3 LYS A 70 6.675 -10.102 -37.379 1.00 52.24 H new ATOM 0 HZ1 LYS A 70 7.299 -9.467 -39.383 1.00 43.22 H new ATOM 0 HZ2 LYS A 70 5.782 -8.744 -39.627 1.00 43.22 H new ATOM 0 HZ3 LYS A 70 7.069 -7.828 -39.002 1.00 43.22 H new ATOM 1091 N PRO A 71 3.692 -3.739 -37.791 1.00 32.11 N ATOM 1092 CA PRO A 71 3.059 -2.426 -37.477 1.00 51.14 C ATOM 1093 C PRO A 71 2.922 -2.140 -35.958 1.00 25.21 C ATOM 1094 O PRO A 71 1.988 -2.604 -35.282 1.00 10.11 O ATOM 1095 CB PRO A 71 1.681 -2.539 -38.157 1.00 62.15 C ATOM 1096 CG PRO A 71 1.933 -3.380 -39.373 1.00 33.42 C ATOM 1097 CD PRO A 71 3.021 -4.375 -38.975 1.00 15.10 C ATOM 0 HA PRO A 71 3.664 -1.592 -37.832 1.00 51.14 H new ATOM 0 HB2 PRO A 71 0.949 -3.004 -37.497 1.00 62.15 H new ATOM 0 HB3 PRO A 71 1.289 -1.558 -38.426 1.00 62.15 H new ATOM 0 HG2 PRO A 71 1.026 -3.897 -39.685 1.00 33.42 H new ATOM 0 HG3 PRO A 71 2.254 -2.765 -40.214 1.00 33.42 H new ATOM 0 HD2 PRO A 71 2.597 -5.346 -38.718 1.00 15.10 H new ATOM 0 HD3 PRO A 71 3.726 -4.541 -39.790 1.00 15.10 H new ATOM 1105 N PHE A 72 3.900 -1.387 -35.454 1.00 14.14 N ATOM 1106 CA PHE A 72 4.086 -1.060 -34.034 1.00 72.40 C ATOM 1107 C PHE A 72 4.217 0.464 -33.904 1.00 61.11 C ATOM 1108 O PHE A 72 3.601 1.078 -33.028 1.00 24.54 O ATOM 1109 CB PHE A 72 5.366 -1.785 -33.510 1.00 0.11 C ATOM 1110 CG PHE A 72 5.777 -1.448 -32.075 1.00 0.10 C ATOM 1111 CD1 PHE A 72 5.125 -2.031 -30.988 1.00 42.52 C ATOM 1112 CD2 PHE A 72 6.809 -0.537 -31.813 1.00 51.43 C ATOM 1113 CE1 PHE A 72 5.497 -1.723 -29.692 1.00 13.33 C ATOM 1114 CE2 PHE A 72 7.175 -0.232 -30.520 1.00 35.43 C ATOM 1115 CZ PHE A 72 6.517 -0.824 -29.458 1.00 72.32 C ATOM 0 H PHE A 72 4.617 -0.969 -36.047 1.00 14.14 H new ATOM 0 HA PHE A 72 3.237 -1.394 -33.438 1.00 72.40 H new ATOM 0 HB2 PHE A 72 5.206 -2.861 -33.580 1.00 0.11 H new ATOM 0 HB3 PHE A 72 6.196 -1.542 -34.173 1.00 0.11 H new ATOM 0 HD1 PHE A 72 4.321 -2.731 -31.161 1.00 42.52 H new ATOM 0 HD2 PHE A 72 7.325 -0.067 -32.637 1.00 51.43 H new ATOM 0 HE1 PHE A 72 4.988 -2.188 -28.861 1.00 13.33 H new ATOM 0 HE2 PHE A 72 7.976 0.469 -30.336 1.00 35.43 H new ATOM 0 HZ PHE A 72 6.802 -0.583 -28.445 1.00 72.32 H new ATOM 1125 N LYS A 73 5.035 1.044 -34.798 1.00 32.43 N ATOM 1126 CA LYS A 73 5.344 2.480 -34.841 1.00 50.02 C ATOM 1127 C LYS A 73 4.561 3.127 -36.011 1.00 40.11 C ATOM 1128 O LYS A 73 4.921 2.893 -37.183 1.00 20.10 O ATOM 1129 CB LYS A 73 6.873 2.680 -35.010 1.00 13.23 C ATOM 1130 CG LYS A 73 7.340 4.158 -34.920 1.00 24.43 C ATOM 1131 CD LYS A 73 8.845 4.341 -35.217 1.00 52.03 C ATOM 1132 CE LYS A 73 9.753 3.516 -34.285 1.00 61.43 C ATOM 1133 NZ LYS A 73 11.196 3.729 -34.572 1.00 73.55 N ATOM 1134 OXT LYS A 73 3.565 3.836 -35.758 1.00 37.28 O ATOM 0 H LYS A 73 5.510 0.513 -35.528 1.00 32.43 H new ATOM 0 HA LYS A 73 5.043 2.960 -33.910 1.00 50.02 H new ATOM 0 HB2 LYS A 73 7.390 2.101 -34.244 1.00 13.23 H new ATOM 0 HB3 LYS A 73 7.176 2.274 -35.975 1.00 13.23 H new ATOM 0 HG2 LYS A 73 6.762 4.758 -35.623 1.00 24.43 H new ATOM 0 HG3 LYS A 73 7.124 4.540 -33.922 1.00 24.43 H new ATOM 0 HD2 LYS A 73 9.042 4.056 -36.251 1.00 52.03 H new ATOM 0 HD3 LYS A 73 9.102 5.396 -35.123 1.00 52.03 H new ATOM 0 HE2 LYS A 73 9.547 3.785 -33.249 1.00 61.43 H new ATOM 0 HE3 LYS A 73 9.515 2.458 -34.393 1.00 61.43 H new ATOM 0 HZ1 LYS A 73 11.768 3.154 -33.921 1.00 73.55 H new ATOM 0 HZ2 LYS A 73 11.400 3.448 -35.552 1.00 73.55 H new ATOM 0 HZ3 LYS A 73 11.431 4.734 -34.444 1.00 73.55 H new TER 1148 LYS A 73 HETATM 1149 ZN ZN A 101 4.484 -11.117 -24.426 1.00 73.35 ZN