USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, 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 NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 7 HIS : no HD1:sc= 0.303 K(o=0.72,f=-0.31) USER MOD Set 1.2: A 9 SER OG : rot 117:sc= 0.413 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0502) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc=-0.00778 X(o=-0.0078,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0104 X(o=-0.01,f=-0.33) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0002) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -162:sc= -0.14 (180deg=-0.548) USER MOD Single : A 13 ASN : amide:sc= -0.297 K(o=-0.3,f=-1.1) USER MOD Single : A 15 LYS NZ :NH3+ 168:sc=-0.00911 (180deg=-0.187) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= -0.12 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.65 K(o=0.65,f=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= -0.122 (180deg=-0.32) USER MOD Single : A 37 SER OG : rot 83:sc= 1.14 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0798 USER MOD Single : A 45 HIS : no HE2:sc= 0.909 K(o=0.91,f=-2.8!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 48 GLN : amide:sc= 0.197 X(o=0.2,f=-0.024) USER MOD Single : A 49 CYS SG : rot -61:sc= -4.44! USER MOD Single : A 52 SER OG : rot 30:sc= 0.0705 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 55 GLN : amide:sc= -0.0439 X(o=-0.044,f=-0.26) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 70:sc= 0.693 USER MOD Single : A 70 LYS NZ :NH3+ 136:sc= 0.888 (180deg=0.0645) USER MOD Single : A 73 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0057) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -53.419 27.369 -64.269 1.00 0.00 N ATOM 2 CA MET A 1 -52.375 26.884 -65.198 1.00 52.33 C ATOM 3 C MET A 1 -51.116 27.747 -65.029 1.00 62.41 C ATOM 4 O MET A 1 -50.997 28.811 -65.638 1.00 32.04 O ATOM 5 CB MET A 1 -52.895 26.892 -66.665 1.00 70.42 C ATOM 6 CG MET A 1 -54.086 25.955 -66.919 1.00 33.21 C ATOM 7 SD MET A 1 -54.615 25.932 -68.645 1.00 23.34 S ATOM 8 CE MET A 1 -55.943 24.725 -68.597 1.00 10.00 C ATOM 0 H1 MET A 1 -54.231 26.720 -64.290 1.00 0.00 H new ATOM 0 H2 MET A 1 -53.033 27.410 -63.304 1.00 0.00 H new ATOM 0 H3 MET A 1 -53.727 28.319 -64.559 1.00 0.00 H new ATOM 0 HA MET A 1 -52.121 25.851 -64.962 1.00 52.33 H new ATOM 0 HB2 MET A 1 -53.185 27.909 -66.930 1.00 70.42 H new ATOM 0 HB3 MET A 1 -52.078 26.610 -67.329 1.00 70.42 H new ATOM 0 HG2 MET A 1 -53.816 24.944 -66.615 1.00 33.21 H new ATOM 0 HG3 MET A 1 -54.923 26.264 -66.293 1.00 33.21 H new ATOM 0 HE1 MET A 1 -56.364 24.608 -69.595 1.00 10.00 H new ATOM 0 HE2 MET A 1 -55.552 23.767 -68.253 1.00 10.00 H new ATOM 0 HE3 MET A 1 -56.720 25.066 -67.913 1.00 10.00 H new ATOM 20 N GLY A 2 -50.202 27.294 -64.153 1.00 53.33 N ATOM 21 CA GLY A 2 -49.012 28.053 -63.801 1.00 2.54 C ATOM 22 C GLY A 2 -47.917 27.153 -63.249 1.00 15.12 C ATOM 23 O GLY A 2 -47.988 26.737 -62.090 1.00 43.14 O ATOM 0 H GLY A 2 -50.276 26.395 -63.677 1.00 53.33 H new ATOM 0 HA2 GLY A 2 -48.642 28.579 -64.681 1.00 2.54 H new ATOM 0 HA3 GLY A 2 -49.269 28.811 -63.061 1.00 2.54 H new ATOM 27 N HIS A 3 -46.916 26.827 -64.088 1.00 63.15 N ATOM 28 CA HIS A 3 -45.775 25.972 -63.695 1.00 72.12 C ATOM 29 C HIS A 3 -44.680 26.823 -63.001 1.00 24.04 C ATOM 30 O HIS A 3 -43.836 26.279 -62.283 1.00 44.41 O ATOM 31 CB HIS A 3 -45.216 25.248 -64.944 1.00 62.32 C ATOM 32 CG HIS A 3 -44.201 24.156 -64.675 1.00 71.11 C ATOM 33 ND1 HIS A 3 -44.557 22.863 -64.364 1.00 54.03 N ATOM 34 CD2 HIS A 3 -42.841 24.170 -64.678 1.00 11.23 C ATOM 35 CE1 HIS A 3 -43.472 22.133 -64.196 1.00 53.43 C ATOM 36 NE2 HIS A 3 -42.416 22.897 -64.380 1.00 32.11 N ATOM 0 H HIS A 3 -46.873 27.147 -65.056 1.00 63.15 H new ATOM 0 HA HIS A 3 -46.112 25.220 -62.982 1.00 72.12 H new ATOM 0 HB2 HIS A 3 -46.052 24.814 -65.493 1.00 62.32 H new ATOM 0 HB3 HIS A 3 -44.758 25.991 -65.596 1.00 62.32 H new ATOM 0 HD2 HIS A 3 -42.211 25.024 -64.878 1.00 11.23 H new ATOM 0 HE1 HIS A 3 -43.453 21.082 -63.948 1.00 53.43 H new ATOM 0 HE2 HIS A 3 -41.444 22.595 -64.313 1.00 32.11 H new ATOM 45 N HIS A 4 -44.726 28.163 -63.217 1.00 33.12 N ATOM 46 CA HIS A 4 -43.735 29.110 -62.655 1.00 25.54 C ATOM 47 C HIS A 4 -43.776 29.095 -61.110 1.00 72.04 C ATOM 48 O HIS A 4 -44.714 29.629 -60.497 1.00 54.42 O ATOM 49 CB HIS A 4 -43.968 30.552 -63.193 1.00 63.44 C ATOM 50 CG HIS A 4 -43.800 30.717 -64.692 1.00 34.40 C ATOM 51 ND1 HIS A 4 -44.003 31.914 -65.344 1.00 33.54 N ATOM 52 CD2 HIS A 4 -43.462 29.824 -65.662 1.00 32.14 C ATOM 53 CE1 HIS A 4 -43.797 31.752 -66.640 1.00 14.25 C ATOM 54 NE2 HIS A 4 -43.468 30.495 -66.860 1.00 3.42 N ATOM 0 H HIS A 4 -45.447 28.612 -63.782 1.00 33.12 H new ATOM 0 HA HIS A 4 -42.745 28.785 -62.977 1.00 25.54 H new ATOM 0 HB2 HIS A 4 -44.975 30.866 -62.920 1.00 63.44 H new ATOM 0 HB3 HIS A 4 -43.276 31.227 -62.689 1.00 63.44 H new ATOM 0 HD2 HIS A 4 -43.231 28.779 -65.516 1.00 32.14 H new ATOM 0 HE1 HIS A 4 -43.884 32.522 -67.393 1.00 14.25 H new ATOM 0 HE2 HIS A 4 -43.253 30.088 -67.770 1.00 3.42 H new ATOM 63 N HIS A 5 -42.755 28.476 -60.503 1.00 41.43 N ATOM 64 CA HIS A 5 -42.640 28.322 -59.051 1.00 24.22 C ATOM 65 C HIS A 5 -41.159 28.461 -58.675 1.00 54.12 C ATOM 66 O HIS A 5 -40.429 27.465 -58.548 1.00 71.42 O ATOM 67 CB HIS A 5 -43.257 26.968 -58.590 1.00 61.40 C ATOM 68 CG HIS A 5 -43.318 26.770 -57.087 1.00 32.03 C ATOM 69 ND1 HIS A 5 -44.404 27.149 -56.324 1.00 55.10 N ATOM 70 CD2 HIS A 5 -42.433 26.219 -56.215 1.00 32.11 C ATOM 71 CE1 HIS A 5 -44.186 26.842 -55.058 1.00 63.25 C ATOM 72 NE2 HIS A 5 -42.998 26.278 -54.968 1.00 62.24 N ATOM 0 H HIS A 5 -41.976 28.063 -61.016 1.00 41.43 H new ATOM 0 HA HIS A 5 -43.205 29.097 -58.533 1.00 24.22 H new ATOM 0 HB2 HIS A 5 -44.267 26.890 -58.993 1.00 61.40 H new ATOM 0 HB3 HIS A 5 -42.677 26.155 -59.025 1.00 61.40 H new ATOM 0 HD2 HIS A 5 -41.464 25.810 -56.460 1.00 32.11 H new ATOM 0 HE1 HIS A 5 -44.865 27.022 -54.237 1.00 63.25 H new ATOM 0 HE2 HIS A 5 -42.568 25.939 -54.107 1.00 62.24 H new ATOM 81 N HIS A 6 -40.711 29.717 -58.583 1.00 64.04 N ATOM 82 CA HIS A 6 -39.339 30.075 -58.217 1.00 4.35 C ATOM 83 C HIS A 6 -39.387 31.194 -57.173 1.00 20.33 C ATOM 84 O HIS A 6 -39.604 32.362 -57.511 1.00 63.05 O ATOM 85 CB HIS A 6 -38.535 30.503 -59.478 1.00 23.15 C ATOM 86 CG HIS A 6 -37.089 30.919 -59.213 1.00 61.31 C ATOM 87 ND1 HIS A 6 -36.015 30.064 -59.341 1.00 71.34 N ATOM 88 CD2 HIS A 6 -36.553 32.115 -58.839 1.00 34.23 C ATOM 89 CE1 HIS A 6 -34.893 30.705 -59.053 1.00 41.25 C ATOM 90 NE2 HIS A 6 -35.192 31.953 -58.746 1.00 3.54 N ATOM 0 H HIS A 6 -41.303 30.527 -58.764 1.00 64.04 H new ATOM 0 HA HIS A 6 -38.828 29.213 -57.788 1.00 4.35 H new ATOM 0 HB2 HIS A 6 -38.535 29.676 -60.188 1.00 23.15 H new ATOM 0 HB3 HIS A 6 -39.054 31.334 -59.956 1.00 23.15 H new ATOM 0 HD2 HIS A 6 -37.100 33.027 -58.650 1.00 34.23 H new ATOM 0 HE1 HIS A 6 -33.901 30.279 -59.067 1.00 41.25 H new ATOM 0 HE2 HIS A 6 -34.524 32.677 -58.483 1.00 3.54 H new ATOM 99 N HIS A 7 -39.246 30.819 -55.898 1.00 13.45 N ATOM 100 CA HIS A 7 -39.063 31.777 -54.800 1.00 43.23 C ATOM 101 C HIS A 7 -37.569 31.821 -54.461 1.00 1.44 C ATOM 102 O HIS A 7 -37.003 30.820 -54.026 1.00 35.32 O ATOM 103 CB HIS A 7 -39.910 31.382 -53.557 1.00 70.41 C ATOM 104 CG HIS A 7 -39.908 32.406 -52.428 1.00 12.12 C ATOM 105 ND1 HIS A 7 -41.024 33.136 -52.059 1.00 4.42 N ATOM 106 CD2 HIS A 7 -38.913 32.822 -51.595 1.00 13.23 C ATOM 107 CE1 HIS A 7 -40.711 33.954 -51.065 1.00 42.33 C ATOM 108 NE2 HIS A 7 -39.440 33.779 -50.767 1.00 44.35 N ATOM 0 H HIS A 7 -39.255 29.845 -55.597 1.00 13.45 H new ATOM 0 HA HIS A 7 -39.407 32.765 -55.107 1.00 43.23 H new ATOM 0 HB2 HIS A 7 -40.939 31.215 -53.875 1.00 70.41 H new ATOM 0 HB3 HIS A 7 -39.539 30.434 -53.169 1.00 70.41 H new ATOM 0 HD2 HIS A 7 -37.894 32.463 -51.588 1.00 13.23 H new ATOM 0 HE1 HIS A 7 -41.384 34.647 -50.581 1.00 42.33 H new ATOM 0 HE2 HIS A 7 -38.930 34.276 -50.037 1.00 44.35 H new ATOM 117 N HIS A 8 -36.943 32.983 -54.677 1.00 43.54 N ATOM 118 CA HIS A 8 -35.528 33.221 -54.340 1.00 1.53 C ATOM 119 C HIS A 8 -35.384 34.597 -53.667 1.00 43.52 C ATOM 120 O HIS A 8 -34.495 34.801 -52.830 1.00 73.41 O ATOM 121 CB HIS A 8 -34.643 33.117 -55.610 1.00 50.02 C ATOM 122 CG HIS A 8 -33.159 33.248 -55.355 1.00 72.22 C ATOM 123 ND1 HIS A 8 -32.447 34.394 -55.633 1.00 61.21 N ATOM 124 CD2 HIS A 8 -32.259 32.371 -54.841 1.00 51.34 C ATOM 125 CE1 HIS A 8 -31.179 34.215 -55.315 1.00 61.00 C ATOM 126 NE2 HIS A 8 -31.040 32.999 -54.830 1.00 11.00 N ATOM 0 H HIS A 8 -37.404 33.792 -55.093 1.00 43.54 H new ATOM 0 HA HIS A 8 -35.188 32.457 -53.640 1.00 1.53 H new ATOM 0 HB2 HIS A 8 -34.832 32.158 -56.091 1.00 50.02 H new ATOM 0 HB3 HIS A 8 -34.947 33.892 -56.313 1.00 50.02 H new ATOM 0 HD2 HIS A 8 -32.465 31.366 -54.504 1.00 51.34 H new ATOM 0 HE1 HIS A 8 -30.389 34.942 -55.433 1.00 61.00 H new ATOM 0 HE2 HIS A 8 -30.166 32.590 -54.499 1.00 11.00 H new ATOM 135 N SER A 9 -36.270 35.528 -54.071 1.00 24.50 N ATOM 136 CA SER A 9 -36.385 36.889 -53.514 1.00 23.44 C ATOM 137 C SER A 9 -35.068 37.693 -53.643 1.00 14.12 C ATOM 138 O SER A 9 -34.792 38.214 -54.723 1.00 70.32 O ATOM 139 CB SER A 9 -36.927 36.861 -52.063 1.00 21.14 C ATOM 140 OG SER A 9 -38.192 36.221 -51.994 1.00 0.43 O ATOM 0 H SER A 9 -36.944 35.348 -54.815 1.00 24.50 H new ATOM 0 HA SER A 9 -37.119 37.424 -54.117 1.00 23.44 H new ATOM 0 HB2 SER A 9 -36.219 36.340 -51.419 1.00 21.14 H new ATOM 0 HB3 SER A 9 -37.012 37.880 -51.685 1.00 21.14 H new ATOM 0 HG SER A 9 -38.121 35.415 -51.441 1.00 0.43 H new ATOM 146 N HIS A 10 -34.240 37.759 -52.553 1.00 14.14 N ATOM 147 CA HIS A 10 -33.006 38.603 -52.514 1.00 73.42 C ATOM 148 C HIS A 10 -32.294 38.490 -51.142 1.00 52.13 C ATOM 149 O HIS A 10 -31.811 39.498 -50.597 1.00 55.31 O ATOM 150 CB HIS A 10 -33.325 40.101 -52.864 1.00 70.14 C ATOM 151 CG HIS A 10 -34.433 40.719 -52.038 1.00 12.24 C ATOM 152 ND1 HIS A 10 -35.699 40.928 -52.529 1.00 0.30 N ATOM 153 CD2 HIS A 10 -34.469 41.134 -50.749 1.00 30.15 C ATOM 154 CE1 HIS A 10 -36.458 41.442 -51.587 1.00 51.21 C ATOM 155 NE2 HIS A 10 -35.735 41.580 -50.494 1.00 21.33 N ATOM 0 H HIS A 10 -34.407 37.237 -51.693 1.00 14.14 H new ATOM 0 HA HIS A 10 -32.325 38.224 -53.276 1.00 73.42 H new ATOM 0 HB2 HIS A 10 -32.419 40.692 -52.732 1.00 70.14 H new ATOM 0 HB3 HIS A 10 -33.597 40.164 -53.918 1.00 70.14 H new ATOM 0 HD2 HIS A 10 -33.646 41.116 -50.050 1.00 30.15 H new ATOM 0 HE1 HIS A 10 -37.500 41.707 -51.691 1.00 51.21 H new ATOM 0 HE2 HIS A 10 -36.065 41.957 -49.606 1.00 21.33 H new ATOM 164 N MET A 11 -32.166 37.263 -50.593 1.00 55.14 N ATOM 165 CA MET A 11 -31.555 37.061 -49.248 1.00 0.33 C ATOM 166 C MET A 11 -30.308 36.132 -49.341 1.00 55.50 C ATOM 167 O MET A 11 -30.440 34.906 -49.228 1.00 42.15 O ATOM 168 CB MET A 11 -32.617 36.513 -48.251 1.00 32.33 C ATOM 169 CG MET A 11 -32.179 36.482 -46.778 1.00 1.11 C ATOM 170 SD MET A 11 -33.469 35.871 -45.654 1.00 10.23 S ATOM 171 CE MET A 11 -34.785 37.061 -45.920 1.00 14.02 C ATOM 0 H MET A 11 -32.471 36.403 -51.048 1.00 55.14 H new ATOM 0 HA MET A 11 -31.210 38.023 -48.868 1.00 0.33 H new ATOM 0 HB2 MET A 11 -33.517 37.122 -48.333 1.00 32.33 H new ATOM 0 HB3 MET A 11 -32.888 35.502 -48.554 1.00 32.33 H new ATOM 0 HG2 MET A 11 -31.296 35.851 -46.683 1.00 1.11 H new ATOM 0 HG3 MET A 11 -31.887 37.487 -46.472 1.00 1.11 H new ATOM 0 HE1 MET A 11 -35.493 37.012 -45.093 1.00 14.02 H new ATOM 0 HE2 MET A 11 -34.362 38.064 -45.976 1.00 14.02 H new ATOM 0 HE3 MET A 11 -35.300 36.831 -46.853 1.00 14.02 H new ATOM 181 N PRO A 12 -29.087 36.698 -49.631 1.00 70.40 N ATOM 182 CA PRO A 12 -27.817 35.955 -49.634 1.00 63.35 C ATOM 183 C PRO A 12 -26.999 36.167 -48.331 1.00 42.23 C ATOM 184 O PRO A 12 -26.288 37.175 -48.175 1.00 43.21 O ATOM 185 CB PRO A 12 -27.114 36.556 -50.878 1.00 75.33 C ATOM 186 CG PRO A 12 -27.657 37.963 -51.016 1.00 4.54 C ATOM 187 CD PRO A 12 -28.824 38.094 -50.045 1.00 31.43 C ATOM 0 HA PRO A 12 -27.940 34.873 -49.675 1.00 63.35 H new ATOM 0 HB2 PRO A 12 -26.032 36.565 -50.750 1.00 75.33 H new ATOM 0 HB3 PRO A 12 -27.325 35.966 -51.770 1.00 75.33 H new ATOM 0 HG2 PRO A 12 -26.884 38.697 -50.790 1.00 4.54 H new ATOM 0 HG3 PRO A 12 -27.985 38.150 -52.039 1.00 4.54 H new ATOM 0 HD2 PRO A 12 -28.568 38.724 -49.193 1.00 31.43 H new ATOM 0 HD3 PRO A 12 -29.695 38.542 -50.523 1.00 31.43 H new ATOM 195 N ASN A 13 -27.125 35.222 -47.383 1.00 13.31 N ATOM 196 CA ASN A 13 -26.384 35.272 -46.099 1.00 3.42 C ATOM 197 C ASN A 13 -25.177 34.328 -46.127 1.00 65.02 C ATOM 198 O ASN A 13 -25.221 33.281 -46.771 1.00 52.14 O ATOM 199 CB ASN A 13 -27.302 34.947 -44.896 1.00 43.20 C ATOM 200 CG ASN A 13 -28.339 36.039 -44.648 1.00 61.12 C ATOM 201 OD1 ASN A 13 -29.436 35.993 -45.188 1.00 71.51 O ATOM 202 ND2 ASN A 13 -27.983 37.038 -43.849 1.00 74.13 N ATOM 0 H ASN A 13 -27.734 34.409 -47.478 1.00 13.31 H new ATOM 0 HA ASN A 13 -26.022 36.292 -45.972 1.00 3.42 H new ATOM 0 HB2 ASN A 13 -27.811 34.000 -45.075 1.00 43.20 H new ATOM 0 HB3 ASN A 13 -26.693 34.817 -44.001 1.00 43.20 H new ATOM 0 HD21 ASN A 13 -28.633 37.802 -43.667 1.00 74.13 H new ATOM 0 HD22 ASN A 13 -27.059 37.041 -43.417 1.00 74.13 H new ATOM 209 N GLY A 14 -24.124 34.722 -45.395 1.00 11.35 N ATOM 210 CA GLY A 14 -22.852 34.004 -45.346 1.00 70.02 C ATOM 211 C GLY A 14 -21.805 34.811 -44.579 1.00 45.24 C ATOM 212 O GLY A 14 -20.686 35.032 -45.053 1.00 75.11 O ATOM 0 H GLY A 14 -24.138 35.560 -44.814 1.00 11.35 H new ATOM 0 HA2 GLY A 14 -22.994 33.035 -44.867 1.00 70.02 H new ATOM 0 HA3 GLY A 14 -22.499 33.810 -46.359 1.00 70.02 H new ATOM 216 N LYS A 15 -22.191 35.243 -43.369 1.00 65.14 N ATOM 217 CA LYS A 15 -21.380 36.130 -42.509 1.00 22.43 C ATOM 218 C LYS A 15 -21.114 35.471 -41.147 1.00 4.12 C ATOM 219 O LYS A 15 -20.032 35.638 -40.559 1.00 62.24 O ATOM 220 CB LYS A 15 -22.115 37.489 -42.318 1.00 14.44 C ATOM 221 CG LYS A 15 -21.331 38.560 -41.522 1.00 42.13 C ATOM 222 CD LYS A 15 -22.079 39.908 -41.428 1.00 10.42 C ATOM 223 CE LYS A 15 -21.260 40.977 -40.682 1.00 15.45 C ATOM 224 NZ LYS A 15 -19.950 41.247 -41.337 1.00 3.51 N ATOM 0 H LYS A 15 -23.085 34.985 -42.952 1.00 65.14 H new ATOM 0 HA LYS A 15 -20.420 36.307 -42.993 1.00 22.43 H new ATOM 0 HB2 LYS A 15 -22.355 37.894 -43.301 1.00 14.44 H new ATOM 0 HB3 LYS A 15 -23.061 37.303 -41.810 1.00 14.44 H new ATOM 0 HG2 LYS A 15 -21.137 38.188 -40.516 1.00 42.13 H new ATOM 0 HG3 LYS A 15 -20.362 38.720 -41.995 1.00 42.13 H new ATOM 0 HD2 LYS A 15 -22.309 40.264 -42.432 1.00 10.42 H new ATOM 0 HD3 LYS A 15 -23.030 39.759 -40.917 1.00 10.42 H new ATOM 0 HE2 LYS A 15 -21.835 41.902 -40.631 1.00 15.45 H new ATOM 0 HE3 LYS A 15 -21.090 40.650 -39.656 1.00 15.45 H new ATOM 0 HZ1 LYS A 15 -19.527 42.104 -40.927 1.00 3.51 H new ATOM 0 HZ2 LYS A 15 -19.313 40.439 -41.185 1.00 3.51 H new ATOM 0 HZ3 LYS A 15 -20.094 41.386 -42.357 1.00 3.51 H new ATOM 238 N LEU A 16 -22.114 34.729 -40.652 1.00 64.11 N ATOM 239 CA LEU A 16 -22.067 34.113 -39.315 1.00 31.30 C ATOM 240 C LEU A 16 -21.154 32.861 -39.335 1.00 51.40 C ATOM 241 O LEU A 16 -21.418 31.907 -40.081 1.00 45.01 O ATOM 242 CB LEU A 16 -23.521 33.769 -38.834 1.00 61.00 C ATOM 243 CG LEU A 16 -23.839 34.075 -37.328 1.00 14.35 C ATOM 244 CD1 LEU A 16 -23.002 33.186 -36.361 1.00 64.31 C ATOM 245 CD2 LEU A 16 -23.635 35.595 -37.042 1.00 75.43 C ATOM 0 H LEU A 16 -22.976 34.538 -41.163 1.00 64.11 H new ATOM 0 HA LEU A 16 -21.639 34.819 -38.603 1.00 31.30 H new ATOM 0 HB2 LEU A 16 -24.227 34.322 -39.453 1.00 61.00 H new ATOM 0 HB3 LEU A 16 -23.701 32.709 -39.014 1.00 61.00 H new ATOM 0 HG LEU A 16 -24.883 33.825 -37.142 1.00 14.35 H new ATOM 0 HD11 LEU A 16 -23.255 33.432 -35.330 1.00 64.31 H new ATOM 0 HD12 LEU A 16 -23.224 32.135 -36.548 1.00 64.31 H new ATOM 0 HD13 LEU A 16 -21.940 33.367 -36.527 1.00 64.31 H new ATOM 0 HD21 LEU A 16 -23.857 35.801 -35.995 1.00 75.43 H new ATOM 0 HD22 LEU A 16 -22.602 35.870 -37.255 1.00 75.43 H new ATOM 0 HD23 LEU A 16 -24.303 36.177 -37.676 1.00 75.43 H new ATOM 257 N LYS A 17 -20.089 32.877 -38.513 1.00 72.22 N ATOM 258 CA LYS A 17 -19.164 31.749 -38.352 1.00 13.34 C ATOM 259 C LYS A 17 -18.863 31.550 -36.864 1.00 10.04 C ATOM 260 O LYS A 17 -18.805 32.523 -36.097 1.00 60.15 O ATOM 261 CB LYS A 17 -17.864 31.981 -39.162 1.00 24.32 C ATOM 262 CG LYS A 17 -17.087 33.276 -38.811 1.00 43.43 C ATOM 263 CD LYS A 17 -15.716 33.366 -39.521 1.00 62.43 C ATOM 264 CE LYS A 17 -14.762 32.236 -39.112 1.00 72.24 C ATOM 265 NZ LYS A 17 -13.440 32.333 -39.779 1.00 14.50 N ATOM 0 H LYS A 17 -19.847 33.684 -37.937 1.00 72.22 H new ATOM 0 HA LYS A 17 -19.630 30.844 -38.742 1.00 13.34 H new ATOM 0 HB2 LYS A 17 -17.203 31.128 -39.009 1.00 24.32 H new ATOM 0 HB3 LYS A 17 -18.115 32.004 -40.222 1.00 24.32 H new ATOM 0 HG2 LYS A 17 -17.690 34.141 -39.086 1.00 43.43 H new ATOM 0 HG3 LYS A 17 -16.936 33.322 -37.733 1.00 43.43 H new ATOM 0 HD2 LYS A 17 -15.868 33.335 -40.600 1.00 62.43 H new ATOM 0 HD3 LYS A 17 -15.255 34.326 -39.291 1.00 62.43 H new ATOM 0 HE2 LYS A 17 -14.622 32.258 -38.031 1.00 72.24 H new ATOM 0 HE3 LYS A 17 -15.217 31.276 -39.355 1.00 72.24 H new ATOM 0 HZ1 LYS A 17 -12.835 31.546 -39.467 1.00 14.50 H new ATOM 0 HZ2 LYS A 17 -13.567 32.285 -40.810 1.00 14.50 H new ATOM 0 HZ3 LYS A 17 -12.990 33.236 -39.528 1.00 14.50 H new ATOM 279 N CYS A 18 -18.691 30.286 -36.464 1.00 2.54 N ATOM 280 CA CYS A 18 -18.438 29.891 -35.069 1.00 64.33 C ATOM 281 C CYS A 18 -17.167 29.028 -34.981 1.00 74.24 C ATOM 282 O CYS A 18 -16.701 28.498 -35.996 1.00 51.21 O ATOM 283 CB CYS A 18 -19.661 29.125 -34.518 1.00 44.41 C ATOM 284 SG CYS A 18 -21.206 30.062 -34.590 1.00 62.23 S ATOM 0 H CYS A 18 -18.724 29.495 -37.107 1.00 2.54 H new ATOM 0 HA CYS A 18 -18.282 30.784 -34.464 1.00 64.33 H new ATOM 0 HB2 CYS A 18 -19.782 28.200 -35.082 1.00 44.41 H new ATOM 0 HB3 CYS A 18 -19.466 28.844 -33.483 1.00 44.41 H new ATOM 0 HG CYS A 18 -22.174 29.340 -34.110 1.00 62.23 H new ATOM 290 N ASP A 19 -16.607 28.892 -33.764 1.00 10.31 N ATOM 291 CA ASP A 19 -15.392 28.088 -33.525 1.00 41.11 C ATOM 292 C ASP A 19 -15.412 27.500 -32.103 1.00 12.33 C ATOM 293 O ASP A 19 -15.612 28.228 -31.127 1.00 12.22 O ATOM 294 CB ASP A 19 -14.116 28.941 -33.736 1.00 4.54 C ATOM 295 CG ASP A 19 -12.829 28.098 -33.708 1.00 62.41 C ATOM 296 OD1 ASP A 19 -12.486 27.490 -34.749 1.00 10.43 O ATOM 297 OD2 ASP A 19 -12.163 28.012 -32.652 1.00 32.12 O ATOM 0 H ASP A 19 -16.981 29.333 -32.924 1.00 10.31 H new ATOM 0 HA ASP A 19 -15.378 27.269 -34.244 1.00 41.11 H new ATOM 0 HB2 ASP A 19 -14.185 29.461 -34.692 1.00 4.54 H new ATOM 0 HB3 ASP A 19 -14.062 29.705 -32.961 1.00 4.54 H new ATOM 302 N VAL A 20 -15.193 26.177 -32.009 1.00 2.00 N ATOM 303 CA VAL A 20 -15.102 25.459 -30.728 1.00 73.12 C ATOM 304 C VAL A 20 -14.269 24.179 -30.923 1.00 74.11 C ATOM 305 O VAL A 20 -14.279 23.592 -32.017 1.00 34.14 O ATOM 306 CB VAL A 20 -16.533 25.118 -30.129 1.00 42.15 C ATOM 307 CG1 VAL A 20 -17.333 24.149 -31.040 1.00 33.01 C ATOM 308 CG2 VAL A 20 -16.433 24.576 -28.672 1.00 30.42 C ATOM 0 H VAL A 20 -15.074 25.574 -32.823 1.00 2.00 H new ATOM 0 HA VAL A 20 -14.610 26.110 -30.005 1.00 73.12 H new ATOM 0 HB VAL A 20 -17.089 26.055 -30.093 1.00 42.15 H new ATOM 0 HG11 VAL A 20 -18.304 23.945 -30.590 1.00 33.01 H new ATOM 0 HG12 VAL A 20 -17.476 24.605 -32.020 1.00 33.01 H new ATOM 0 HG13 VAL A 20 -16.781 23.216 -31.151 1.00 33.01 H new ATOM 0 HG21 VAL A 20 -17.432 24.354 -28.297 1.00 30.42 H new ATOM 0 HG22 VAL A 20 -15.832 23.667 -28.662 1.00 30.42 H new ATOM 0 HG23 VAL A 20 -15.965 25.327 -28.036 1.00 30.42 H new ATOM 318 N CYS A 21 -13.522 23.790 -29.876 1.00 62.31 N ATOM 319 CA CYS A 21 -12.751 22.533 -29.844 1.00 23.13 C ATOM 320 C CYS A 21 -12.391 22.180 -28.392 1.00 44.13 C ATOM 321 O CYS A 21 -12.250 23.074 -27.545 1.00 11.44 O ATOM 322 CB CYS A 21 -11.470 22.641 -30.704 1.00 31.14 C ATOM 323 SG CYS A 21 -10.536 21.096 -30.845 1.00 33.43 S ATOM 0 H CYS A 21 -13.435 24.341 -29.022 1.00 62.31 H new ATOM 0 HA CYS A 21 -13.369 21.740 -30.264 1.00 23.13 H new ATOM 0 HB2 CYS A 21 -11.745 22.979 -31.703 1.00 31.14 H new ATOM 0 HB3 CYS A 21 -10.822 23.406 -30.276 1.00 31.14 H new ATOM 0 HG CYS A 21 -9.485 21.290 -31.585 1.00 33.43 H new ATOM 329 N GLY A 22 -12.255 20.872 -28.108 1.00 1.15 N ATOM 330 CA GLY A 22 -11.847 20.393 -26.788 1.00 21.11 C ATOM 331 C GLY A 22 -11.731 18.877 -26.703 1.00 40.33 C ATOM 332 O GLY A 22 -12.330 18.151 -27.497 1.00 55.43 O ATOM 0 H GLY A 22 -12.425 20.128 -28.785 1.00 1.15 H new ATOM 0 HA2 GLY A 22 -10.886 20.838 -26.529 1.00 21.11 H new ATOM 0 HA3 GLY A 22 -12.568 20.737 -26.046 1.00 21.11 H new ATOM 336 N MET A 23 -10.948 18.410 -25.722 1.00 41.33 N ATOM 337 CA MET A 23 -10.714 16.977 -25.457 1.00 25.10 C ATOM 338 C MET A 23 -10.283 16.828 -23.985 1.00 54.03 C ATOM 339 O MET A 23 -9.174 17.246 -23.621 1.00 3.24 O ATOM 340 CB MET A 23 -9.630 16.398 -26.418 1.00 74.44 C ATOM 341 CG MET A 23 -9.244 14.929 -26.162 1.00 54.03 C ATOM 342 SD MET A 23 -10.635 13.792 -26.367 1.00 52.53 S ATOM 343 CE MET A 23 -9.912 12.217 -25.882 1.00 24.50 C ATOM 0 H MET A 23 -10.450 19.024 -25.078 1.00 41.33 H new ATOM 0 HA MET A 23 -11.629 16.413 -25.636 1.00 25.10 H new ATOM 0 HB2 MET A 23 -9.990 16.489 -27.443 1.00 74.44 H new ATOM 0 HB3 MET A 23 -8.733 17.012 -26.340 1.00 74.44 H new ATOM 0 HG2 MET A 23 -8.444 14.644 -26.846 1.00 54.03 H new ATOM 0 HG3 MET A 23 -8.848 14.833 -25.151 1.00 54.03 H new ATOM 0 HE1 MET A 23 -10.663 11.431 -25.963 1.00 24.50 H new ATOM 0 HE2 MET A 23 -9.072 11.985 -26.537 1.00 24.50 H new ATOM 0 HE3 MET A 23 -9.562 12.279 -24.852 1.00 24.50 H new ATOM 353 N VAL A 24 -11.173 16.271 -23.138 1.00 4.21 N ATOM 354 CA VAL A 24 -10.947 16.152 -21.681 1.00 4.52 C ATOM 355 C VAL A 24 -10.450 14.744 -21.288 1.00 11.41 C ATOM 356 O VAL A 24 -10.620 13.775 -22.038 1.00 23.43 O ATOM 357 CB VAL A 24 -12.252 16.520 -20.867 1.00 42.41 C ATOM 358 CG1 VAL A 24 -12.675 17.988 -21.132 1.00 22.34 C ATOM 359 CG2 VAL A 24 -13.421 15.535 -21.171 1.00 0.25 C ATOM 0 H VAL A 24 -12.069 15.891 -23.444 1.00 4.21 H new ATOM 0 HA VAL A 24 -10.165 16.866 -21.424 1.00 4.52 H new ATOM 0 HB VAL A 24 -12.014 16.421 -19.808 1.00 42.41 H new ATOM 0 HG11 VAL A 24 -13.575 18.216 -20.561 1.00 22.34 H new ATOM 0 HG12 VAL A 24 -11.872 18.659 -20.827 1.00 22.34 H new ATOM 0 HG13 VAL A 24 -12.876 18.122 -22.195 1.00 22.34 H new ATOM 0 HG21 VAL A 24 -14.299 15.822 -20.592 1.00 0.25 H new ATOM 0 HG22 VAL A 24 -13.660 15.571 -22.234 1.00 0.25 H new ATOM 0 HG23 VAL A 24 -13.123 14.522 -20.900 1.00 0.25 H new ATOM 369 N CYS A 25 -9.809 14.666 -20.105 1.00 34.04 N ATOM 370 CA CYS A 25 -9.346 13.408 -19.495 1.00 73.14 C ATOM 371 C CYS A 25 -10.376 12.909 -18.453 1.00 54.31 C ATOM 372 O CYS A 25 -10.969 13.715 -17.721 1.00 70.13 O ATOM 373 CB CYS A 25 -7.970 13.633 -18.822 1.00 10.33 C ATOM 374 SG CYS A 25 -6.688 14.250 -19.948 1.00 0.32 S ATOM 0 H CYS A 25 -9.596 15.488 -19.540 1.00 34.04 H new ATOM 0 HA CYS A 25 -9.244 12.650 -20.272 1.00 73.14 H new ATOM 0 HB2 CYS A 25 -8.090 14.341 -18.002 1.00 10.33 H new ATOM 0 HB3 CYS A 25 -7.633 12.693 -18.385 1.00 10.33 H new ATOM 0 HG CYS A 25 -5.576 14.409 -19.294 1.00 0.32 H new ATOM 380 N ILE A 26 -10.586 11.590 -18.406 1.00 42.22 N ATOM 381 CA ILE A 26 -11.441 10.930 -17.412 1.00 74.32 C ATOM 382 C ILE A 26 -10.959 9.478 -17.231 1.00 24.03 C ATOM 383 O ILE A 26 -10.635 8.798 -18.204 1.00 12.11 O ATOM 384 CB ILE A 26 -12.975 10.992 -17.797 1.00 71.04 C ATOM 385 CG1 ILE A 26 -13.857 10.351 -16.673 1.00 2.45 C ATOM 386 CG2 ILE A 26 -13.248 10.335 -19.180 1.00 50.15 C ATOM 387 CD1 ILE A 26 -15.353 10.416 -16.910 1.00 71.32 C ATOM 0 H ILE A 26 -10.161 10.940 -19.067 1.00 42.22 H new ATOM 0 HA ILE A 26 -11.354 11.465 -16.466 1.00 74.32 H new ATOM 0 HB ILE A 26 -13.253 12.042 -17.884 1.00 71.04 H new ATOM 0 HG12 ILE A 26 -13.569 9.306 -16.559 1.00 2.45 H new ATOM 0 HG13 ILE A 26 -13.633 10.849 -15.729 1.00 2.45 H new ATOM 0 HG21 ILE A 26 -14.312 10.397 -19.409 1.00 50.15 H new ATOM 0 HG22 ILE A 26 -12.680 10.858 -19.950 1.00 50.15 H new ATOM 0 HG23 ILE A 26 -12.944 9.289 -19.152 1.00 50.15 H new ATOM 0 HD11 ILE A 26 -15.874 9.946 -16.076 1.00 71.32 H new ATOM 0 HD12 ILE A 26 -15.664 11.458 -16.991 1.00 71.32 H new ATOM 0 HD13 ILE A 26 -15.598 9.891 -17.833 1.00 71.32 H new ATOM 399 N GLY A 27 -10.877 9.035 -15.970 1.00 21.15 N ATOM 400 CA GLY A 27 -10.436 7.685 -15.623 1.00 4.45 C ATOM 401 C GLY A 27 -10.724 7.409 -14.152 1.00 43.43 C ATOM 402 O GLY A 27 -9.790 7.386 -13.337 1.00 74.13 O ATOM 0 H GLY A 27 -11.116 9.608 -15.161 1.00 21.15 H new ATOM 0 HA2 GLY A 27 -10.949 6.953 -16.247 1.00 4.45 H new ATOM 0 HA3 GLY A 27 -9.369 7.579 -15.820 1.00 4.45 H new ATOM 406 N PRO A 28 -12.032 7.218 -13.761 1.00 5.43 N ATOM 407 CA PRO A 28 -12.438 7.106 -12.337 1.00 23.42 C ATOM 408 C PRO A 28 -11.883 5.839 -11.658 1.00 31.34 C ATOM 409 O PRO A 28 -11.694 4.794 -12.300 1.00 33.51 O ATOM 410 CB PRO A 28 -13.984 7.098 -12.412 1.00 1.13 C ATOM 411 CG PRO A 28 -14.305 6.574 -13.774 1.00 1.03 C ATOM 412 CD PRO A 28 -13.209 7.086 -14.675 1.00 50.55 C ATOM 0 HA PRO A 28 -12.044 7.918 -11.725 1.00 23.42 H new ATOM 0 HB2 PRO A 28 -14.413 6.465 -11.635 1.00 1.13 H new ATOM 0 HB3 PRO A 28 -14.391 8.099 -12.269 1.00 1.13 H new ATOM 0 HG2 PRO A 28 -14.338 5.484 -13.777 1.00 1.03 H new ATOM 0 HG3 PRO A 28 -15.282 6.923 -14.108 1.00 1.03 H new ATOM 0 HD2 PRO A 28 -13.006 6.394 -15.492 1.00 50.55 H new ATOM 0 HD3 PRO A 28 -13.475 8.042 -15.126 1.00 50.55 H new ATOM 420 N ASN A 29 -11.649 5.939 -10.336 1.00 3.43 N ATOM 421 CA ASN A 29 -11.059 4.847 -9.528 1.00 5.03 C ATOM 422 C ASN A 29 -12.080 3.726 -9.245 1.00 54.55 C ATOM 423 O ASN A 29 -11.728 2.728 -8.620 1.00 73.04 O ATOM 424 CB ASN A 29 -10.443 5.392 -8.210 1.00 11.41 C ATOM 425 CG ASN A 29 -9.174 6.225 -8.434 1.00 72.40 C ATOM 426 OD1 ASN A 29 -9.229 7.446 -8.536 1.00 22.04 O ATOM 427 ND2 ASN A 29 -8.031 5.558 -8.556 1.00 35.54 N ATOM 0 H ASN A 29 -11.862 6.777 -9.795 1.00 3.43 H new ATOM 0 HA ASN A 29 -10.254 4.409 -10.118 1.00 5.03 H new ATOM 0 HB2 ASN A 29 -11.185 6.003 -7.696 1.00 11.41 H new ATOM 0 HB3 ASN A 29 -10.209 4.555 -7.553 1.00 11.41 H new ATOM 0 HD21 ASN A 29 -7.164 6.062 -8.740 1.00 35.54 H new ATOM 0 HD22 ASN A 29 -8.021 4.542 -8.465 1.00 35.54 H new ATOM 434 N VAL A 30 -13.333 3.894 -9.711 1.00 45.22 N ATOM 435 CA VAL A 30 -14.346 2.819 -9.716 1.00 12.23 C ATOM 436 C VAL A 30 -13.881 1.647 -10.611 1.00 60.40 C ATOM 437 O VAL A 30 -14.167 0.480 -10.336 1.00 22.11 O ATOM 438 CB VAL A 30 -15.758 3.350 -10.179 1.00 52.41 C ATOM 439 CG1 VAL A 30 -15.749 3.817 -11.652 1.00 62.01 C ATOM 440 CG2 VAL A 30 -16.870 2.303 -9.932 1.00 51.24 C ATOM 0 H VAL A 30 -13.671 4.777 -10.094 1.00 45.22 H new ATOM 0 HA VAL A 30 -14.454 2.458 -8.693 1.00 12.23 H new ATOM 0 HB VAL A 30 -15.981 4.223 -9.565 1.00 52.41 H new ATOM 0 HG11 VAL A 30 -16.742 4.174 -11.927 1.00 62.01 H new ATOM 0 HG12 VAL A 30 -15.027 4.624 -11.773 1.00 62.01 H new ATOM 0 HG13 VAL A 30 -15.472 2.983 -12.297 1.00 62.01 H new ATOM 0 HG21 VAL A 30 -17.828 2.704 -10.263 1.00 51.24 H new ATOM 0 HG22 VAL A 30 -16.645 1.394 -10.490 1.00 51.24 H new ATOM 0 HG23 VAL A 30 -16.922 2.072 -8.868 1.00 51.24 H new ATOM 450 N LEU A 31 -13.122 1.998 -11.662 1.00 30.11 N ATOM 451 CA LEU A 31 -12.517 1.040 -12.597 1.00 12.44 C ATOM 452 C LEU A 31 -11.347 0.304 -11.923 1.00 34.40 C ATOM 453 O LEU A 31 -11.155 -0.906 -12.115 1.00 43.24 O ATOM 454 CB LEU A 31 -12.024 1.788 -13.869 1.00 45.44 C ATOM 455 CG LEU A 31 -13.101 2.622 -14.634 1.00 11.25 C ATOM 456 CD1 LEU A 31 -12.474 3.425 -15.796 1.00 75.41 C ATOM 457 CD2 LEU A 31 -14.258 1.715 -15.130 1.00 14.12 C ATOM 0 H LEU A 31 -12.909 2.970 -11.888 1.00 30.11 H new ATOM 0 HA LEU A 31 -13.267 0.303 -12.887 1.00 12.44 H new ATOM 0 HB2 LEU A 31 -11.212 2.456 -13.582 1.00 45.44 H new ATOM 0 HB3 LEU A 31 -11.604 1.055 -14.558 1.00 45.44 H new ATOM 0 HG LEU A 31 -13.522 3.343 -13.933 1.00 11.25 H new ATOM 0 HD11 LEU A 31 -13.251 3.994 -16.306 1.00 75.41 H new ATOM 0 HD12 LEU A 31 -11.723 4.110 -15.402 1.00 75.41 H new ATOM 0 HD13 LEU A 31 -12.004 2.739 -16.501 1.00 75.41 H new ATOM 0 HD21 LEU A 31 -14.994 2.321 -15.659 1.00 14.12 H new ATOM 0 HD22 LEU A 31 -13.862 0.955 -15.803 1.00 14.12 H new ATOM 0 HD23 LEU A 31 -14.733 1.231 -14.276 1.00 14.12 H new ATOM 469 N MET A 32 -10.569 1.070 -11.140 1.00 51.34 N ATOM 470 CA MET A 32 -9.375 0.568 -10.435 1.00 51.21 C ATOM 471 C MET A 32 -9.755 -0.465 -9.360 1.00 10.34 C ATOM 472 O MET A 32 -9.193 -1.561 -9.312 1.00 34.12 O ATOM 473 CB MET A 32 -8.586 1.747 -9.798 1.00 42.11 C ATOM 474 CG MET A 32 -7.295 1.344 -9.070 1.00 51.22 C ATOM 475 SD MET A 32 -6.468 2.753 -8.291 1.00 23.11 S ATOM 476 CE MET A 32 -5.020 1.971 -7.575 1.00 23.12 C ATOM 0 H MET A 32 -10.751 2.060 -10.977 1.00 51.34 H new ATOM 0 HA MET A 32 -8.737 0.072 -11.167 1.00 51.21 H new ATOM 0 HB2 MET A 32 -8.336 2.463 -10.581 1.00 42.11 H new ATOM 0 HB3 MET A 32 -9.238 2.262 -9.092 1.00 42.11 H new ATOM 0 HG2 MET A 32 -7.528 0.598 -8.310 1.00 51.22 H new ATOM 0 HG3 MET A 32 -6.614 0.874 -9.779 1.00 51.22 H new ATOM 0 HE1 MET A 32 -4.417 2.721 -7.063 1.00 23.12 H new ATOM 0 HE2 MET A 32 -5.333 1.208 -6.862 1.00 23.12 H new ATOM 0 HE3 MET A 32 -4.428 1.508 -8.365 1.00 23.12 H new ATOM 486 N VAL A 33 -10.727 -0.093 -8.514 1.00 75.51 N ATOM 487 CA VAL A 33 -11.199 -0.935 -7.399 1.00 41.23 C ATOM 488 C VAL A 33 -11.965 -2.165 -7.927 1.00 43.13 C ATOM 489 O VAL A 33 -11.973 -3.211 -7.282 1.00 33.21 O ATOM 490 CB VAL A 33 -12.080 -0.126 -6.374 1.00 2.22 C ATOM 491 CG1 VAL A 33 -13.409 0.358 -6.998 1.00 3.51 C ATOM 492 CG2 VAL A 33 -12.328 -0.931 -5.073 1.00 63.42 C ATOM 0 H VAL A 33 -11.211 0.802 -8.582 1.00 75.51 H new ATOM 0 HA VAL A 33 -10.316 -1.280 -6.862 1.00 41.23 H new ATOM 0 HB VAL A 33 -11.510 0.765 -6.108 1.00 2.22 H new ATOM 0 HG11 VAL A 33 -13.981 0.910 -6.253 1.00 3.51 H new ATOM 0 HG12 VAL A 33 -13.197 1.008 -7.847 1.00 3.51 H new ATOM 0 HG13 VAL A 33 -13.987 -0.502 -7.335 1.00 3.51 H new ATOM 0 HG21 VAL A 33 -12.939 -0.340 -4.391 1.00 63.42 H new ATOM 0 HG22 VAL A 33 -12.846 -1.860 -5.313 1.00 63.42 H new ATOM 0 HG23 VAL A 33 -11.373 -1.160 -4.599 1.00 63.42 H new ATOM 502 N HIS A 34 -12.614 -2.011 -9.097 1.00 22.41 N ATOM 503 CA HIS A 34 -13.303 -3.124 -9.781 1.00 70.25 C ATOM 504 C HIS A 34 -12.299 -4.230 -10.159 1.00 33.05 C ATOM 505 O HIS A 34 -12.515 -5.404 -9.856 1.00 74.41 O ATOM 506 CB HIS A 34 -14.045 -2.606 -11.037 1.00 63.33 C ATOM 507 CG HIS A 34 -14.880 -3.631 -11.790 1.00 12.34 C ATOM 508 ND1 HIS A 34 -16.258 -3.647 -11.749 1.00 1.20 N ATOM 509 CD2 HIS A 34 -14.525 -4.624 -12.647 1.00 61.33 C ATOM 510 CE1 HIS A 34 -16.712 -4.594 -12.546 1.00 35.31 C ATOM 511 NE2 HIS A 34 -15.681 -5.200 -13.106 1.00 70.12 N ATOM 0 H HIS A 34 -12.676 -1.121 -9.591 1.00 22.41 H new ATOM 0 HA HIS A 34 -14.038 -3.550 -9.098 1.00 70.25 H new ATOM 0 HB2 HIS A 34 -14.697 -1.786 -10.737 1.00 63.33 H new ATOM 0 HB3 HIS A 34 -13.308 -2.192 -11.725 1.00 63.33 H new ATOM 0 HD2 HIS A 34 -13.518 -4.907 -12.917 1.00 61.33 H new ATOM 0 HE1 HIS A 34 -17.752 -4.834 -12.713 1.00 35.31 H new ATOM 0 HE2 HIS A 34 -15.736 -5.971 -13.772 1.00 70.12 H new ATOM 520 N LYS A 35 -11.208 -3.826 -10.824 1.00 65.00 N ATOM 521 CA LYS A 35 -10.140 -4.746 -11.261 1.00 55.11 C ATOM 522 C LYS A 35 -9.314 -5.258 -10.063 1.00 13.00 C ATOM 523 O LYS A 35 -8.724 -6.323 -10.131 1.00 63.33 O ATOM 524 CB LYS A 35 -9.219 -4.060 -12.302 1.00 50.40 C ATOM 525 CG LYS A 35 -9.942 -3.580 -13.581 1.00 53.35 C ATOM 526 CD LYS A 35 -8.972 -2.985 -14.627 1.00 24.11 C ATOM 527 CE LYS A 35 -9.714 -2.348 -15.808 1.00 15.50 C ATOM 528 NZ LYS A 35 -10.541 -1.185 -15.386 1.00 72.52 N ATOM 0 H LYS A 35 -11.038 -2.852 -11.076 1.00 65.00 H new ATOM 0 HA LYS A 35 -10.616 -5.607 -11.731 1.00 55.11 H new ATOM 0 HB2 LYS A 35 -8.734 -3.205 -11.831 1.00 50.40 H new ATOM 0 HB3 LYS A 35 -8.430 -4.757 -12.586 1.00 50.40 H new ATOM 0 HG2 LYS A 35 -10.480 -4.417 -14.025 1.00 53.35 H new ATOM 0 HG3 LYS A 35 -10.686 -2.830 -13.313 1.00 53.35 H new ATOM 0 HD2 LYS A 35 -8.341 -2.235 -14.150 1.00 24.11 H new ATOM 0 HD3 LYS A 35 -8.312 -3.770 -14.996 1.00 24.11 H new ATOM 0 HE2 LYS A 35 -8.992 -2.026 -16.558 1.00 15.50 H new ATOM 0 HE3 LYS A 35 -10.353 -3.095 -16.280 1.00 15.50 H new ATOM 0 HZ1 LYS A 35 -10.818 -0.634 -16.223 1.00 72.52 H new ATOM 0 HZ2 LYS A 35 -11.394 -1.525 -14.897 1.00 72.52 H new ATOM 0 HZ3 LYS A 35 -9.990 -0.582 -14.742 1.00 72.52 H new ATOM 542 N ARG A 36 -9.256 -4.477 -8.981 1.00 75.53 N ATOM 543 CA ARG A 36 -8.531 -4.870 -7.754 1.00 63.34 C ATOM 544 C ARG A 36 -9.297 -6.009 -7.049 1.00 53.53 C ATOM 545 O ARG A 36 -8.719 -7.048 -6.720 1.00 73.55 O ATOM 546 CB ARG A 36 -8.371 -3.615 -6.830 1.00 54.22 C ATOM 547 CG ARG A 36 -7.376 -3.733 -5.634 1.00 33.44 C ATOM 548 CD ARG A 36 -7.867 -4.617 -4.462 1.00 30.12 C ATOM 549 NE ARG A 36 -9.237 -4.270 -4.041 1.00 53.23 N ATOM 550 CZ ARG A 36 -9.568 -3.421 -3.057 1.00 74.42 C ATOM 551 NH1 ARG A 36 -8.633 -2.790 -2.360 1.00 1.54 N ATOM 552 NH2 ARG A 36 -10.842 -3.233 -2.757 1.00 33.44 N ATOM 0 H ARG A 36 -9.703 -3.562 -8.923 1.00 75.53 H new ATOM 0 HA ARG A 36 -7.535 -5.240 -7.998 1.00 63.34 H new ATOM 0 HB2 ARG A 36 -8.055 -2.776 -7.451 1.00 54.22 H new ATOM 0 HB3 ARG A 36 -9.353 -3.363 -6.429 1.00 54.22 H new ATOM 0 HG2 ARG A 36 -6.433 -4.136 -6.003 1.00 33.44 H new ATOM 0 HG3 ARG A 36 -7.168 -2.733 -5.253 1.00 33.44 H new ATOM 0 HD2 ARG A 36 -7.835 -5.665 -4.761 1.00 30.12 H new ATOM 0 HD3 ARG A 36 -7.189 -4.506 -3.616 1.00 30.12 H new ATOM 0 HE ARG A 36 -10.003 -4.717 -4.544 1.00 53.23 H new ATOM 0 HH11 ARG A 36 -7.647 -2.948 -2.570 1.00 1.54 H new ATOM 0 HH12 ARG A 36 -8.900 -2.147 -1.614 1.00 1.54 H new ATOM 0 HH21 ARG A 36 -11.566 -3.732 -3.273 1.00 33.44 H new ATOM 0 HH22 ARG A 36 -11.100 -2.589 -2.010 1.00 33.44 H new ATOM 566 N SER A 37 -10.596 -5.771 -6.820 1.00 34.21 N ATOM 567 CA SER A 37 -11.477 -6.669 -6.044 1.00 42.33 C ATOM 568 C SER A 37 -11.933 -7.885 -6.879 1.00 41.34 C ATOM 569 O SER A 37 -12.229 -8.953 -6.324 1.00 1.50 O ATOM 570 CB SER A 37 -12.704 -5.873 -5.546 1.00 75.45 C ATOM 571 OG SER A 37 -12.304 -4.707 -4.837 1.00 1.24 O ATOM 0 H SER A 37 -11.075 -4.941 -7.170 1.00 34.21 H new ATOM 0 HA SER A 37 -10.913 -7.052 -5.194 1.00 42.33 H new ATOM 0 HB2 SER A 37 -13.327 -5.591 -6.395 1.00 75.45 H new ATOM 0 HB3 SER A 37 -13.313 -6.505 -4.899 1.00 75.45 H new ATOM 0 HG SER A 37 -12.113 -3.987 -5.473 1.00 1.24 H new ATOM 577 N HIS A 38 -11.976 -7.718 -8.215 1.00 71.50 N ATOM 578 CA HIS A 38 -12.429 -8.765 -9.154 1.00 24.23 C ATOM 579 C HIS A 38 -11.450 -8.851 -10.337 1.00 21.42 C ATOM 580 O HIS A 38 -11.522 -8.057 -11.281 1.00 74.12 O ATOM 581 CB HIS A 38 -13.880 -8.488 -9.641 1.00 72.43 C ATOM 582 CG HIS A 38 -14.913 -8.555 -8.538 1.00 43.24 C ATOM 583 ND1 HIS A 38 -15.489 -7.434 -7.976 1.00 64.35 N ATOM 584 CD2 HIS A 38 -15.444 -9.616 -7.872 1.00 60.24 C ATOM 585 CE1 HIS A 38 -16.324 -7.800 -7.021 1.00 14.52 C ATOM 586 NE2 HIS A 38 -16.317 -9.115 -6.938 1.00 1.23 N ATOM 0 H HIS A 38 -11.697 -6.852 -8.675 1.00 71.50 H new ATOM 0 HA HIS A 38 -12.441 -9.725 -8.638 1.00 24.23 H new ATOM 0 HB2 HIS A 38 -13.917 -7.501 -10.102 1.00 72.43 H new ATOM 0 HB3 HIS A 38 -14.139 -9.211 -10.414 1.00 72.43 H new ATOM 0 HD2 HIS A 38 -15.220 -10.658 -8.046 1.00 60.24 H new ATOM 0 HE1 HIS A 38 -16.914 -7.133 -6.410 1.00 14.52 H new ATOM 0 HE2 HIS A 38 -16.870 -9.671 -6.286 1.00 1.23 H new ATOM 595 N THR A 39 -10.500 -9.794 -10.236 1.00 13.34 N ATOM 596 CA THR A 39 -9.534 -10.112 -11.305 1.00 35.34 C ATOM 597 C THR A 39 -9.068 -11.566 -11.168 1.00 71.51 C ATOM 598 O THR A 39 -9.440 -12.257 -10.216 1.00 61.34 O ATOM 599 CB THR A 39 -8.303 -9.136 -11.305 1.00 52.32 C ATOM 600 OG1 THR A 39 -7.503 -9.327 -12.492 1.00 13.53 O ATOM 601 CG2 THR A 39 -7.397 -9.293 -10.056 1.00 14.03 C ATOM 0 H THR A 39 -10.378 -10.365 -9.400 1.00 13.34 H new ATOM 0 HA THR A 39 -10.042 -9.981 -12.260 1.00 35.34 H new ATOM 0 HB THR A 39 -8.721 -8.129 -11.285 1.00 52.32 H new ATOM 0 HG1 THR A 39 -6.742 -8.710 -12.476 1.00 13.53 H new ATOM 0 HG21 THR A 39 -6.566 -8.590 -10.119 1.00 14.03 H new ATOM 0 HG22 THR A 39 -7.978 -9.088 -9.157 1.00 14.03 H new ATOM 0 HG23 THR A 39 -7.009 -10.311 -10.014 1.00 14.03 H new ATOM 609 N GLY A 40 -8.274 -12.024 -12.139 1.00 11.34 N ATOM 610 CA GLY A 40 -7.680 -13.353 -12.118 1.00 73.54 C ATOM 611 C GLY A 40 -6.603 -13.487 -13.176 1.00 3.25 C ATOM 612 O GLY A 40 -6.440 -12.592 -14.020 1.00 73.43 O ATOM 0 H GLY A 40 -8.027 -11.477 -12.964 1.00 11.34 H new ATOM 0 HA2 GLY A 40 -7.254 -13.548 -11.134 1.00 73.54 H new ATOM 0 HA3 GLY A 40 -8.453 -14.103 -12.285 1.00 73.54 H new ATOM 616 N GLU A 41 -5.853 -14.596 -13.123 1.00 3.14 N ATOM 617 CA GLU A 41 -4.832 -14.923 -14.120 1.00 21.44 C ATOM 618 C GLU A 41 -5.521 -15.519 -15.368 1.00 43.32 C ATOM 619 O GLU A 41 -5.499 -16.736 -15.611 1.00 4.33 O ATOM 620 CB GLU A 41 -3.770 -15.879 -13.497 1.00 63.32 C ATOM 621 CG GLU A 41 -3.042 -15.279 -12.267 1.00 32.12 C ATOM 622 CD GLU A 41 -1.982 -16.216 -11.660 1.00 25.30 C ATOM 623 OE1 GLU A 41 -0.816 -16.174 -12.101 1.00 63.14 O ATOM 624 OE2 GLU A 41 -2.315 -17.003 -10.743 1.00 14.01 O ATOM 0 H GLU A 41 -5.940 -15.293 -12.383 1.00 3.14 H new ATOM 0 HA GLU A 41 -4.298 -14.027 -14.435 1.00 21.44 H new ATOM 0 HB2 GLU A 41 -4.258 -16.808 -13.203 1.00 63.32 H new ATOM 0 HB3 GLU A 41 -3.032 -16.134 -14.257 1.00 63.32 H new ATOM 0 HG2 GLU A 41 -2.564 -14.344 -12.559 1.00 32.12 H new ATOM 0 HG3 GLU A 41 -3.779 -15.035 -11.502 1.00 32.12 H new ATOM 631 N ARG A 42 -6.205 -14.617 -16.101 1.00 63.35 N ATOM 632 CA ARG A 42 -6.948 -14.930 -17.330 1.00 1.30 C ATOM 633 C ARG A 42 -5.962 -15.216 -18.477 1.00 72.02 C ATOM 634 O ARG A 42 -4.892 -14.611 -18.509 1.00 55.34 O ATOM 635 CB ARG A 42 -7.860 -13.724 -17.693 1.00 51.22 C ATOM 636 CG ARG A 42 -8.969 -13.414 -16.664 1.00 14.43 C ATOM 637 CD ARG A 42 -9.680 -12.078 -16.951 1.00 13.11 C ATOM 638 NE ARG A 42 -8.754 -10.935 -16.824 1.00 74.52 N ATOM 639 CZ ARG A 42 -9.077 -9.638 -16.927 1.00 11.40 C ATOM 640 NH1 ARG A 42 -10.329 -9.244 -17.176 1.00 24.32 N ATOM 641 NH2 ARG A 42 -8.123 -8.735 -16.779 1.00 71.50 N ATOM 0 H ARG A 42 -6.255 -13.631 -15.846 1.00 63.35 H new ATOM 0 HA ARG A 42 -7.565 -15.815 -17.173 1.00 1.30 H new ATOM 0 HB2 ARG A 42 -7.236 -12.838 -17.811 1.00 51.22 H new ATOM 0 HB3 ARG A 42 -8.325 -13.917 -18.660 1.00 51.22 H new ATOM 0 HG2 ARG A 42 -9.702 -14.221 -16.670 1.00 14.43 H new ATOM 0 HG3 ARG A 42 -8.535 -13.384 -15.664 1.00 14.43 H new ATOM 0 HD2 ARG A 42 -10.101 -12.097 -17.956 1.00 13.11 H new ATOM 0 HD3 ARG A 42 -10.513 -11.952 -16.259 1.00 13.11 H new ATOM 0 HE ARG A 42 -7.775 -11.153 -16.640 1.00 74.52 H new ATOM 0 HH11 ARG A 42 -11.068 -9.937 -17.293 1.00 24.32 H new ATOM 0 HH12 ARG A 42 -10.546 -8.250 -17.249 1.00 24.32 H new ATOM 0 HH21 ARG A 42 -7.165 -9.031 -16.591 1.00 71.50 H new ATOM 0 HH22 ARG A 42 -8.345 -7.742 -16.853 1.00 71.50 H new ATOM 655 N PRO A 43 -6.325 -16.098 -19.468 1.00 1.33 N ATOM 656 CA PRO A 43 -5.420 -16.483 -20.594 1.00 33.24 C ATOM 657 C PRO A 43 -5.150 -15.328 -21.604 1.00 55.22 C ATOM 658 O PRO A 43 -4.476 -15.531 -22.618 1.00 41.44 O ATOM 659 CB PRO A 43 -6.179 -17.661 -21.255 1.00 30.33 C ATOM 660 CG PRO A 43 -7.617 -17.416 -20.941 1.00 44.24 C ATOM 661 CD PRO A 43 -7.637 -16.797 -19.568 1.00 44.31 C ATOM 0 HA PRO A 43 -4.420 -16.742 -20.245 1.00 33.24 H new ATOM 0 HB2 PRO A 43 -6.008 -17.687 -22.331 1.00 30.33 H new ATOM 0 HB3 PRO A 43 -5.845 -18.619 -20.857 1.00 30.33 H new ATOM 0 HG2 PRO A 43 -8.070 -16.751 -21.676 1.00 44.24 H new ATOM 0 HG3 PRO A 43 -8.185 -18.346 -20.959 1.00 44.24 H new ATOM 0 HD2 PRO A 43 -8.469 -16.102 -19.456 1.00 44.31 H new ATOM 0 HD3 PRO A 43 -7.746 -17.553 -18.791 1.00 44.31 H new ATOM 669 N PHE A 44 -5.668 -14.122 -21.299 1.00 54.12 N ATOM 670 CA PHE A 44 -5.414 -12.898 -22.076 1.00 44.32 C ATOM 671 C PHE A 44 -4.048 -12.261 -21.716 1.00 12.42 C ATOM 672 O PHE A 44 -3.778 -11.121 -22.095 1.00 34.41 O ATOM 673 CB PHE A 44 -6.573 -11.895 -21.858 1.00 3.24 C ATOM 674 CG PHE A 44 -7.918 -12.391 -22.375 1.00 62.45 C ATOM 675 CD1 PHE A 44 -8.205 -12.353 -23.737 1.00 1.44 C ATOM 676 CD2 PHE A 44 -8.886 -12.902 -21.512 1.00 45.20 C ATOM 677 CE1 PHE A 44 -9.410 -12.814 -24.221 1.00 50.43 C ATOM 678 CE2 PHE A 44 -10.096 -13.358 -21.997 1.00 20.24 C ATOM 679 CZ PHE A 44 -10.358 -13.316 -23.353 1.00 21.40 C ATOM 0 H PHE A 44 -6.281 -13.971 -20.497 1.00 54.12 H new ATOM 0 HA PHE A 44 -5.367 -13.164 -23.132 1.00 44.32 H new ATOM 0 HB2 PHE A 44 -6.660 -11.680 -20.793 1.00 3.24 H new ATOM 0 HB3 PHE A 44 -6.327 -10.956 -22.354 1.00 3.24 H new ATOM 0 HD1 PHE A 44 -7.472 -11.956 -24.424 1.00 1.44 H new ATOM 0 HD2 PHE A 44 -8.687 -12.942 -20.451 1.00 45.20 H new ATOM 0 HE1 PHE A 44 -9.613 -12.782 -25.281 1.00 50.43 H new ATOM 0 HE2 PHE A 44 -10.838 -13.748 -21.316 1.00 20.24 H new ATOM 0 HZ PHE A 44 -11.303 -13.675 -23.733 1.00 21.40 H new ATOM 689 N HIS A 45 -3.191 -12.994 -20.984 1.00 41.53 N ATOM 690 CA HIS A 45 -1.805 -12.565 -20.720 1.00 4.45 C ATOM 691 C HIS A 45 -0.885 -13.104 -21.825 1.00 34.12 C ATOM 692 O HIS A 45 -1.145 -14.172 -22.391 1.00 40.21 O ATOM 693 CB HIS A 45 -1.318 -13.051 -19.325 1.00 2.43 C ATOM 694 CG HIS A 45 -1.137 -14.549 -19.195 1.00 2.23 C ATOM 695 ND1 HIS A 45 -2.141 -15.391 -18.795 1.00 0.13 N ATOM 696 CD2 HIS A 45 -0.060 -15.345 -19.430 1.00 1.43 C ATOM 697 CE1 HIS A 45 -1.705 -16.632 -18.786 1.00 44.13 C ATOM 698 NE2 HIS A 45 -0.443 -16.632 -19.170 1.00 53.31 N ATOM 0 H HIS A 45 -3.435 -13.890 -20.563 1.00 41.53 H new ATOM 0 HA HIS A 45 -1.773 -11.475 -20.718 1.00 4.45 H new ATOM 0 HB2 HIS A 45 -0.369 -12.565 -19.099 1.00 2.43 H new ATOM 0 HB3 HIS A 45 -2.033 -12.720 -18.572 1.00 2.43 H new ATOM 0 HD1 HIS A 45 -3.085 -15.099 -18.542 1.00 0.13 H new ATOM 0 HD2 HIS A 45 0.916 -15.021 -19.760 1.00 1.43 H new ATOM 0 HE1 HIS A 45 -2.282 -17.503 -18.511 1.00 44.13 H new ATOM 707 N CYS A 46 0.178 -12.352 -22.116 1.00 11.31 N ATOM 708 CA CYS A 46 1.216 -12.736 -23.067 1.00 30.21 C ATOM 709 C CYS A 46 1.998 -13.947 -22.540 1.00 14.15 C ATOM 710 O CYS A 46 2.806 -13.794 -21.623 1.00 2.05 O ATOM 711 CB CYS A 46 2.164 -11.539 -23.278 1.00 74.35 C ATOM 712 SG CYS A 46 3.618 -11.873 -24.329 1.00 70.12 S ATOM 0 H CYS A 46 0.342 -11.441 -21.687 1.00 11.31 H new ATOM 0 HA CYS A 46 0.759 -13.013 -24.017 1.00 30.21 H new ATOM 0 HB2 CYS A 46 1.596 -10.721 -23.721 1.00 74.35 H new ATOM 0 HB3 CYS A 46 2.512 -11.195 -22.304 1.00 74.35 H new ATOM 717 N ASN A 47 1.737 -15.156 -23.091 1.00 43.20 N ATOM 718 CA ASN A 47 2.508 -16.370 -22.738 1.00 43.52 C ATOM 719 C ASN A 47 3.870 -16.320 -23.459 1.00 64.34 C ATOM 720 O ASN A 47 4.055 -16.918 -24.514 1.00 24.31 O ATOM 721 CB ASN A 47 1.716 -17.665 -23.067 1.00 64.22 C ATOM 722 CG ASN A 47 2.502 -18.948 -22.715 1.00 32.22 C ATOM 723 OD1 ASN A 47 3.153 -19.549 -23.568 1.00 55.40 O ATOM 724 ND2 ASN A 47 2.491 -19.336 -21.444 1.00 11.41 N ATOM 0 H ASN A 47 1.001 -15.316 -23.779 1.00 43.20 H new ATOM 0 HA ASN A 47 2.681 -16.392 -21.662 1.00 43.52 H new ATOM 0 HB2 ASN A 47 0.774 -17.659 -22.519 1.00 64.22 H new ATOM 0 HB3 ASN A 47 1.468 -17.675 -24.128 1.00 64.22 H new ATOM 0 HD21 ASN A 47 3.032 -20.151 -21.155 1.00 11.41 H new ATOM 0 HD22 ASN A 47 1.942 -18.819 -20.758 1.00 11.41 H new ATOM 731 N GLN A 48 4.779 -15.521 -22.876 1.00 44.54 N ATOM 732 CA GLN A 48 6.145 -15.285 -23.371 1.00 63.44 C ATOM 733 C GLN A 48 6.877 -14.335 -22.406 1.00 62.05 C ATOM 734 O GLN A 48 8.054 -14.529 -22.111 1.00 25.52 O ATOM 735 CB GLN A 48 6.155 -14.712 -24.828 1.00 51.11 C ATOM 736 CG GLN A 48 7.554 -14.501 -25.455 1.00 53.22 C ATOM 737 CD GLN A 48 8.433 -15.760 -25.492 1.00 5.53 C ATOM 738 OE1 GLN A 48 8.384 -16.530 -26.449 1.00 53.41 O ATOM 739 NE2 GLN A 48 9.261 -15.950 -24.472 1.00 44.25 N ATOM 0 H GLN A 48 4.577 -15.005 -22.020 1.00 44.54 H new ATOM 0 HA GLN A 48 6.664 -16.243 -23.409 1.00 63.44 H new ATOM 0 HB2 GLN A 48 5.588 -15.387 -25.469 1.00 51.11 H new ATOM 0 HB3 GLN A 48 5.629 -13.757 -24.827 1.00 51.11 H new ATOM 0 HG2 GLN A 48 7.430 -14.130 -26.472 1.00 53.22 H new ATOM 0 HG3 GLN A 48 8.076 -13.725 -24.895 1.00 53.22 H new ATOM 0 HE21 GLN A 48 9.273 -15.289 -23.695 1.00 44.25 H new ATOM 0 HE22 GLN A 48 9.885 -16.757 -24.465 1.00 44.25 H new ATOM 748 N CYS A 49 6.149 -13.325 -21.887 1.00 41.02 N ATOM 749 CA CYS A 49 6.721 -12.295 -20.989 1.00 24.10 C ATOM 750 C CYS A 49 5.853 -12.055 -19.735 1.00 34.04 C ATOM 751 O CYS A 49 6.286 -11.359 -18.801 1.00 14.54 O ATOM 752 CB CYS A 49 6.873 -10.982 -21.783 1.00 4.41 C ATOM 753 SG CYS A 49 5.335 -10.395 -22.507 1.00 44.00 S ATOM 0 H CYS A 49 5.155 -13.199 -22.076 1.00 41.02 H new ATOM 0 HA CYS A 49 7.689 -12.650 -20.637 1.00 24.10 H new ATOM 0 HB2 CYS A 49 7.271 -10.212 -21.122 1.00 4.41 H new ATOM 0 HB3 CYS A 49 7.605 -11.130 -22.577 1.00 4.41 H new ATOM 0 HG CYS A 49 4.879 -11.285 -23.338 1.00 44.00 H new ATOM 758 N GLY A 50 4.628 -12.614 -19.734 1.00 22.24 N ATOM 759 CA GLY A 50 3.679 -12.465 -18.614 1.00 40.00 C ATOM 760 C GLY A 50 2.998 -11.089 -18.550 1.00 23.13 C ATOM 761 O GLY A 50 2.497 -10.690 -17.489 1.00 62.24 O ATOM 0 H GLY A 50 4.270 -13.178 -20.504 1.00 22.24 H new ATOM 0 HA2 GLY A 50 2.912 -13.235 -18.696 1.00 40.00 H new ATOM 0 HA3 GLY A 50 4.208 -12.641 -17.677 1.00 40.00 H new ATOM 765 N ALA A 51 2.985 -10.368 -19.689 1.00 42.35 N ATOM 766 CA ALA A 51 2.312 -9.057 -19.798 1.00 74.20 C ATOM 767 C ALA A 51 0.789 -9.260 -19.839 1.00 4.25 C ATOM 768 O ALA A 51 0.244 -9.689 -20.857 1.00 4.35 O ATOM 769 CB ALA A 51 2.810 -8.282 -21.026 1.00 75.21 C ATOM 0 H ALA A 51 3.436 -10.674 -20.551 1.00 42.35 H new ATOM 0 HA ALA A 51 2.558 -8.458 -18.921 1.00 74.20 H new ATOM 0 HB1 ALA A 51 2.298 -7.321 -21.082 1.00 75.21 H new ATOM 0 HB2 ALA A 51 3.884 -8.117 -20.941 1.00 75.21 H new ATOM 0 HB3 ALA A 51 2.602 -8.857 -21.928 1.00 75.21 H new ATOM 775 N SER A 52 0.130 -8.986 -18.708 1.00 44.31 N ATOM 776 CA SER A 52 -1.296 -9.257 -18.509 1.00 62.32 C ATOM 777 C SER A 52 -2.181 -8.251 -19.268 1.00 65.21 C ATOM 778 O SER A 52 -2.004 -7.033 -19.134 1.00 54.35 O ATOM 779 CB SER A 52 -1.619 -9.228 -16.998 1.00 54.12 C ATOM 780 OG SER A 52 -1.228 -7.989 -16.404 1.00 62.35 O ATOM 0 H SER A 52 0.579 -8.564 -17.895 1.00 44.31 H new ATOM 0 HA SER A 52 -1.515 -10.246 -18.912 1.00 62.32 H new ATOM 0 HB2 SER A 52 -2.688 -9.383 -16.850 1.00 54.12 H new ATOM 0 HB3 SER A 52 -1.106 -10.050 -16.499 1.00 54.12 H new ATOM 0 HG SER A 52 -1.290 -7.273 -17.070 1.00 62.35 H new ATOM 786 N PHE A 53 -3.137 -8.776 -20.065 1.00 3.53 N ATOM 787 CA PHE A 53 -4.199 -7.975 -20.711 1.00 30.41 C ATOM 788 C PHE A 53 -5.570 -8.565 -20.353 1.00 63.30 C ATOM 789 O PHE A 53 -5.667 -9.589 -19.652 1.00 1.04 O ATOM 790 CB PHE A 53 -4.015 -7.946 -22.258 1.00 20.44 C ATOM 791 CG PHE A 53 -2.649 -7.414 -22.713 1.00 31.22 C ATOM 792 CD1 PHE A 53 -2.372 -6.046 -22.698 1.00 12.15 C ATOM 793 CD2 PHE A 53 -1.636 -8.281 -23.127 1.00 32.31 C ATOM 794 CE1 PHE A 53 -1.137 -5.561 -23.099 1.00 23.34 C ATOM 795 CE2 PHE A 53 -0.403 -7.795 -23.522 1.00 52.11 C ATOM 796 CZ PHE A 53 -0.151 -6.436 -23.506 1.00 44.33 C ATOM 0 H PHE A 53 -3.194 -9.772 -20.279 1.00 3.53 H new ATOM 0 HA PHE A 53 -4.135 -6.950 -20.346 1.00 30.41 H new ATOM 0 HB2 PHE A 53 -4.149 -8.955 -22.649 1.00 20.44 H new ATOM 0 HB3 PHE A 53 -4.799 -7.328 -22.696 1.00 20.44 H new ATOM 0 HD1 PHE A 53 -3.133 -5.354 -22.368 1.00 12.15 H new ATOM 0 HD2 PHE A 53 -1.818 -9.346 -23.139 1.00 32.31 H new ATOM 0 HE1 PHE A 53 -0.947 -4.498 -23.093 1.00 23.34 H new ATOM 0 HE2 PHE A 53 0.367 -8.481 -23.845 1.00 52.11 H new ATOM 0 HZ PHE A 53 0.815 -6.060 -23.811 1.00 44.33 H new ATOM 806 N THR A 54 -6.623 -7.906 -20.841 1.00 43.53 N ATOM 807 CA THR A 54 -8.018 -8.346 -20.675 1.00 34.22 C ATOM 808 C THR A 54 -8.704 -8.469 -22.051 1.00 22.12 C ATOM 809 O THR A 54 -9.789 -9.058 -22.162 1.00 45.13 O ATOM 810 CB THR A 54 -8.796 -7.339 -19.758 1.00 13.01 C ATOM 811 OG1 THR A 54 -10.164 -7.751 -19.576 1.00 3.41 O ATOM 812 CG2 THR A 54 -8.753 -5.909 -20.312 1.00 33.03 C ATOM 0 H THR A 54 -6.534 -7.039 -21.371 1.00 43.53 H new ATOM 0 HA THR A 54 -8.026 -9.326 -20.197 1.00 34.22 H new ATOM 0 HB THR A 54 -8.293 -7.344 -18.791 1.00 13.01 H new ATOM 0 HG1 THR A 54 -10.626 -7.107 -18.999 1.00 3.41 H new ATOM 0 HG21 THR A 54 -9.304 -5.244 -19.647 1.00 33.03 H new ATOM 0 HG22 THR A 54 -7.717 -5.577 -20.381 1.00 33.03 H new ATOM 0 HG23 THR A 54 -9.207 -5.889 -21.303 1.00 33.03 H new ATOM 820 N GLN A 55 -8.063 -7.909 -23.101 1.00 3.11 N ATOM 821 CA GLN A 55 -8.637 -7.815 -24.452 1.00 51.45 C ATOM 822 C GLN A 55 -7.757 -8.567 -25.456 1.00 33.53 C ATOM 823 O GLN A 55 -6.519 -8.521 -25.366 1.00 14.21 O ATOM 824 CB GLN A 55 -8.761 -6.322 -24.865 1.00 2.42 C ATOM 825 CG GLN A 55 -9.640 -5.472 -23.936 1.00 43.10 C ATOM 826 CD GLN A 55 -11.084 -5.979 -23.800 1.00 73.13 C ATOM 827 OE1 GLN A 55 -11.649 -6.540 -24.732 1.00 70.22 O ATOM 828 NE2 GLN A 55 -11.678 -5.792 -22.629 1.00 12.42 N ATOM 0 H GLN A 55 -7.128 -7.509 -23.029 1.00 3.11 H new ATOM 0 HA GLN A 55 -9.628 -8.270 -24.449 1.00 51.45 H new ATOM 0 HB2 GLN A 55 -7.763 -5.884 -24.900 1.00 2.42 H new ATOM 0 HB3 GLN A 55 -9.167 -6.271 -25.875 1.00 2.42 H new ATOM 0 HG2 GLN A 55 -9.182 -5.442 -22.947 1.00 43.10 H new ATOM 0 HG3 GLN A 55 -9.660 -4.448 -24.309 1.00 43.10 H new ATOM 0 HE21 GLN A 55 -11.180 -5.321 -21.874 1.00 12.42 H new ATOM 0 HE22 GLN A 55 -12.633 -6.119 -22.484 1.00 12.42 H new ATOM 837 N LYS A 56 -8.417 -9.238 -26.416 1.00 43.51 N ATOM 838 CA LYS A 56 -7.758 -9.974 -27.503 1.00 12.14 C ATOM 839 C LYS A 56 -7.032 -9.009 -28.461 1.00 74.45 C ATOM 840 O LYS A 56 -6.058 -9.387 -29.085 1.00 43.31 O ATOM 841 CB LYS A 56 -8.783 -10.842 -28.287 1.00 70.43 C ATOM 842 CG LYS A 56 -9.908 -10.054 -29.012 1.00 21.32 C ATOM 843 CD LYS A 56 -10.744 -10.942 -29.966 1.00 34.35 C ATOM 844 CE LYS A 56 -11.789 -10.142 -30.769 1.00 31.20 C ATOM 845 NZ LYS A 56 -12.826 -9.515 -29.902 1.00 40.02 N ATOM 0 H LYS A 56 -9.435 -9.283 -26.457 1.00 43.51 H new ATOM 0 HA LYS A 56 -7.017 -10.636 -27.054 1.00 12.14 H new ATOM 0 HB2 LYS A 56 -8.242 -11.433 -29.026 1.00 70.43 H new ATOM 0 HB3 LYS A 56 -9.244 -11.545 -27.593 1.00 70.43 H new ATOM 0 HG2 LYS A 56 -10.568 -9.605 -28.269 1.00 21.32 H new ATOM 0 HG3 LYS A 56 -9.464 -9.236 -29.580 1.00 21.32 H new ATOM 0 HD2 LYS A 56 -10.075 -11.453 -30.658 1.00 34.35 H new ATOM 0 HD3 LYS A 56 -11.251 -11.713 -29.386 1.00 34.35 H new ATOM 0 HE2 LYS A 56 -11.283 -9.365 -31.343 1.00 31.20 H new ATOM 0 HE3 LYS A 56 -12.274 -10.804 -31.487 1.00 31.20 H new ATOM 0 HZ1 LYS A 56 -13.502 -8.990 -30.493 1.00 40.02 H new ATOM 0 HZ2 LYS A 56 -13.330 -10.255 -29.373 1.00 40.02 H new ATOM 0 HZ3 LYS A 56 -12.371 -8.861 -29.234 1.00 40.02 H new ATOM 859 N GLY A 57 -7.537 -7.769 -28.572 1.00 51.24 N ATOM 860 CA GLY A 57 -6.924 -6.743 -29.424 1.00 3.43 C ATOM 861 C GLY A 57 -5.524 -6.382 -28.952 1.00 33.01 C ATOM 862 O GLY A 57 -4.576 -6.374 -29.741 1.00 32.20 O ATOM 0 H GLY A 57 -8.372 -7.454 -28.079 1.00 51.24 H new ATOM 0 HA2 GLY A 57 -6.880 -7.103 -30.452 1.00 3.43 H new ATOM 0 HA3 GLY A 57 -7.549 -5.850 -29.425 1.00 3.43 H new ATOM 866 N ASN A 58 -5.391 -6.135 -27.642 1.00 31.45 N ATOM 867 CA ASN A 58 -4.099 -5.785 -27.011 1.00 1.32 C ATOM 868 C ASN A 58 -3.152 -7.004 -26.988 1.00 41.03 C ATOM 869 O ASN A 58 -1.937 -6.862 -27.164 1.00 32.33 O ATOM 870 CB ASN A 58 -4.343 -5.265 -25.567 1.00 42.02 C ATOM 871 CG ASN A 58 -5.256 -4.032 -25.486 1.00 70.21 C ATOM 872 OD1 ASN A 58 -5.352 -3.248 -26.425 1.00 54.34 O ATOM 873 ND2 ASN A 58 -5.908 -3.835 -24.340 1.00 25.24 N ATOM 0 H ASN A 58 -6.171 -6.171 -26.986 1.00 31.45 H new ATOM 0 HA ASN A 58 -3.625 -4.999 -27.599 1.00 1.32 H new ATOM 0 HB2 ASN A 58 -4.782 -6.067 -24.974 1.00 42.02 H new ATOM 0 HB3 ASN A 58 -3.382 -5.022 -25.114 1.00 42.02 H new ATOM 0 HD21 ASN A 58 -6.505 -3.016 -24.227 1.00 25.24 H new ATOM 0 HD22 ASN A 58 -5.810 -4.503 -23.576 1.00 25.24 H new ATOM 880 N LEU A 59 -3.734 -8.197 -26.772 1.00 13.40 N ATOM 881 CA LEU A 59 -2.983 -9.458 -26.693 1.00 35.25 C ATOM 882 C LEU A 59 -2.357 -9.827 -28.052 1.00 44.01 C ATOM 883 O LEU A 59 -1.152 -10.068 -28.145 1.00 64.10 O ATOM 884 CB LEU A 59 -3.898 -10.609 -26.199 1.00 21.14 C ATOM 885 CG LEU A 59 -3.198 -11.996 -26.029 1.00 52.04 C ATOM 886 CD1 LEU A 59 -2.023 -11.929 -25.016 1.00 62.44 C ATOM 887 CD2 LEU A 59 -4.216 -13.099 -25.658 1.00 44.44 C ATOM 0 H LEU A 59 -4.740 -8.312 -26.647 1.00 13.40 H new ATOM 0 HA LEU A 59 -2.175 -9.314 -25.975 1.00 35.25 H new ATOM 0 HB2 LEU A 59 -4.332 -10.320 -25.242 1.00 21.14 H new ATOM 0 HB3 LEU A 59 -4.723 -10.721 -26.902 1.00 21.14 H new ATOM 0 HG LEU A 59 -2.767 -12.264 -26.994 1.00 52.04 H new ATOM 0 HD11 LEU A 59 -1.563 -12.913 -24.927 1.00 62.44 H new ATOM 0 HD12 LEU A 59 -1.281 -11.212 -25.367 1.00 62.44 H new ATOM 0 HD13 LEU A 59 -2.399 -11.615 -24.043 1.00 62.44 H new ATOM 0 HD21 LEU A 59 -3.697 -14.051 -25.547 1.00 44.44 H new ATOM 0 HD22 LEU A 59 -4.706 -12.841 -24.719 1.00 44.44 H new ATOM 0 HD23 LEU A 59 -4.964 -13.183 -26.446 1.00 44.44 H new ATOM 899 N LEU A 60 -3.199 -9.861 -29.095 1.00 71.50 N ATOM 900 CA LEU A 60 -2.790 -10.245 -30.460 1.00 31.45 C ATOM 901 C LEU A 60 -1.765 -9.260 -31.018 1.00 25.03 C ATOM 902 O LEU A 60 -0.826 -9.660 -31.711 1.00 54.02 O ATOM 903 CB LEU A 60 -4.017 -10.354 -31.409 1.00 51.02 C ATOM 904 CG LEU A 60 -5.009 -11.528 -31.109 1.00 34.35 C ATOM 905 CD1 LEU A 60 -6.236 -11.482 -32.044 1.00 2.54 C ATOM 906 CD2 LEU A 60 -4.290 -12.899 -31.180 1.00 60.13 C ATOM 0 H LEU A 60 -4.188 -9.622 -29.018 1.00 71.50 H new ATOM 0 HA LEU A 60 -2.325 -11.229 -30.400 1.00 31.45 H new ATOM 0 HB2 LEU A 60 -4.570 -9.416 -31.366 1.00 51.02 H new ATOM 0 HB3 LEU A 60 -3.654 -10.463 -32.431 1.00 51.02 H new ATOM 0 HG LEU A 60 -5.374 -11.401 -30.090 1.00 34.35 H new ATOM 0 HD11 LEU A 60 -6.904 -12.311 -31.809 1.00 2.54 H new ATOM 0 HD12 LEU A 60 -6.765 -10.539 -31.905 1.00 2.54 H new ATOM 0 HD13 LEU A 60 -5.907 -11.564 -33.080 1.00 2.54 H new ATOM 0 HD21 LEU A 60 -5.003 -13.695 -30.967 1.00 60.13 H new ATOM 0 HD22 LEU A 60 -3.875 -13.041 -32.178 1.00 60.13 H new ATOM 0 HD23 LEU A 60 -3.486 -12.927 -30.445 1.00 60.13 H new ATOM 918 N ARG A 61 -1.961 -7.975 -30.692 1.00 1.52 N ATOM 919 CA ARG A 61 -1.010 -6.911 -31.026 1.00 44.21 C ATOM 920 C ARG A 61 0.370 -7.235 -30.420 1.00 4.45 C ATOM 921 O ARG A 61 1.381 -7.264 -31.116 1.00 64.01 O ATOM 922 CB ARG A 61 -1.515 -5.558 -30.454 1.00 71.14 C ATOM 923 CG ARG A 61 -0.624 -4.332 -30.765 1.00 50.14 C ATOM 924 CD ARG A 61 -0.892 -3.154 -29.806 1.00 73.22 C ATOM 925 NE ARG A 61 -2.305 -2.729 -29.813 1.00 42.30 N ATOM 926 CZ ARG A 61 -2.955 -2.169 -28.775 1.00 50.55 C ATOM 927 NH1 ARG A 61 -2.343 -1.977 -27.602 1.00 41.43 N ATOM 928 NH2 ARG A 61 -4.218 -1.817 -28.913 1.00 2.02 N ATOM 0 H ARG A 61 -2.785 -7.646 -30.189 1.00 1.52 H new ATOM 0 HA ARG A 61 -0.924 -6.840 -32.110 1.00 44.21 H new ATOM 0 HB2 ARG A 61 -2.514 -5.368 -30.845 1.00 71.14 H new ATOM 0 HB3 ARG A 61 -1.609 -5.653 -29.372 1.00 71.14 H new ATOM 0 HG2 ARG A 61 0.425 -4.621 -30.697 1.00 50.14 H new ATOM 0 HG3 ARG A 61 -0.800 -4.009 -31.791 1.00 50.14 H new ATOM 0 HD2 ARG A 61 -0.608 -3.442 -28.794 1.00 73.22 H new ATOM 0 HD3 ARG A 61 -0.261 -2.311 -30.087 1.00 73.22 H new ATOM 0 HE ARG A 61 -2.833 -2.871 -30.674 1.00 42.30 H new ATOM 0 HH11 ARG A 61 -1.369 -2.256 -27.483 1.00 41.43 H new ATOM 0 HH12 ARG A 61 -2.850 -1.551 -26.826 1.00 41.43 H new ATOM 0 HH21 ARG A 61 -4.696 -1.969 -29.801 1.00 2.02 H new ATOM 0 HH22 ARG A 61 -4.717 -1.392 -28.132 1.00 2.02 H new ATOM 942 N HIS A 62 0.363 -7.514 -29.115 1.00 71.21 N ATOM 943 CA HIS A 62 1.570 -7.700 -28.311 1.00 22.32 C ATOM 944 C HIS A 62 2.370 -8.950 -28.743 1.00 24.40 C ATOM 945 O HIS A 62 3.596 -8.887 -28.882 1.00 13.11 O ATOM 946 CB HIS A 62 1.156 -7.790 -26.829 1.00 61.51 C ATOM 947 CG HIS A 62 2.309 -7.912 -25.870 1.00 33.51 C ATOM 948 ND1 HIS A 62 2.824 -6.870 -25.150 1.00 61.54 N ATOM 949 CD2 HIS A 62 3.011 -9.001 -25.507 1.00 35.22 C ATOM 950 CE1 HIS A 62 3.804 -7.344 -24.383 1.00 4.23 C ATOM 951 NE2 HIS A 62 3.962 -8.641 -24.554 1.00 2.30 N ATOM 0 H HIS A 62 -0.498 -7.619 -28.579 1.00 71.21 H new ATOM 0 HA HIS A 62 2.233 -6.849 -28.463 1.00 22.32 H new ATOM 0 HB2 HIS A 62 0.577 -6.903 -26.571 1.00 61.51 H new ATOM 0 HB3 HIS A 62 0.498 -8.649 -26.699 1.00 61.51 H new ATOM 0 HD1 HIS A 62 2.512 -5.900 -25.193 1.00 61.54 H new ATOM 0 HD2 HIS A 62 2.861 -9.998 -25.894 1.00 35.22 H new ATOM 0 HE1 HIS A 62 4.394 -6.742 -23.707 1.00 4.23 H new ATOM 959 N ILE A 63 1.679 -10.097 -28.910 1.00 24.10 N ATOM 960 CA ILE A 63 2.327 -11.373 -29.305 1.00 4.44 C ATOM 961 C ILE A 63 2.890 -11.290 -30.738 1.00 72.31 C ATOM 962 O ILE A 63 3.827 -12.008 -31.091 1.00 23.31 O ATOM 963 CB ILE A 63 1.370 -12.617 -29.151 1.00 23.51 C ATOM 964 CG1 ILE A 63 0.184 -12.544 -30.166 1.00 44.02 C ATOM 965 CG2 ILE A 63 0.848 -12.728 -27.692 1.00 75.14 C ATOM 966 CD1 ILE A 63 -0.757 -13.732 -30.140 1.00 64.32 C ATOM 0 H ILE A 63 0.670 -10.169 -28.778 1.00 24.10 H new ATOM 0 HA ILE A 63 3.156 -11.525 -28.614 1.00 4.44 H new ATOM 0 HB ILE A 63 1.944 -13.516 -29.377 1.00 23.51 H new ATOM 0 HG12 ILE A 63 -0.391 -11.640 -29.965 1.00 44.02 H new ATOM 0 HG13 ILE A 63 0.592 -12.445 -31.172 1.00 44.02 H new ATOM 0 HG21 ILE A 63 0.189 -13.592 -27.606 1.00 75.14 H new ATOM 0 HG22 ILE A 63 1.692 -12.845 -27.012 1.00 75.14 H new ATOM 0 HG23 ILE A 63 0.296 -11.824 -27.433 1.00 75.14 H new ATOM 0 HD11 ILE A 63 -1.546 -13.588 -30.879 1.00 64.32 H new ATOM 0 HD12 ILE A 63 -0.202 -14.641 -30.374 1.00 64.32 H new ATOM 0 HD13 ILE A 63 -1.201 -13.823 -29.149 1.00 64.32 H new ATOM 978 N LYS A 64 2.281 -10.413 -31.550 1.00 42.13 N ATOM 979 CA LYS A 64 2.736 -10.105 -32.915 1.00 25.01 C ATOM 980 C LYS A 64 4.110 -9.409 -32.867 1.00 13.02 C ATOM 981 O LYS A 64 4.977 -9.675 -33.705 1.00 14.31 O ATOM 982 CB LYS A 64 1.695 -9.205 -33.624 1.00 30.34 C ATOM 983 CG LYS A 64 1.884 -9.056 -35.139 1.00 34.23 C ATOM 984 CD LYS A 64 0.809 -8.168 -35.801 1.00 32.45 C ATOM 985 CE LYS A 64 0.730 -6.767 -35.180 1.00 12.12 C ATOM 986 NZ LYS A 64 -0.325 -5.934 -35.805 1.00 64.22 N ATOM 0 H LYS A 64 1.449 -9.891 -31.274 1.00 42.13 H new ATOM 0 HA LYS A 64 2.837 -11.032 -33.479 1.00 25.01 H new ATOM 0 HB2 LYS A 64 0.701 -9.610 -33.436 1.00 30.34 H new ATOM 0 HB3 LYS A 64 1.727 -8.214 -33.171 1.00 30.34 H new ATOM 0 HG2 LYS A 64 2.868 -8.631 -35.336 1.00 34.23 H new ATOM 0 HG3 LYS A 64 1.865 -10.044 -35.600 1.00 34.23 H new ATOM 0 HD2 LYS A 64 1.025 -8.077 -36.866 1.00 32.45 H new ATOM 0 HD3 LYS A 64 -0.162 -8.655 -35.713 1.00 32.45 H new ATOM 0 HE2 LYS A 64 0.534 -6.856 -34.111 1.00 12.12 H new ATOM 0 HE3 LYS A 64 1.694 -6.269 -35.287 1.00 12.12 H new ATOM 0 HZ1 LYS A 64 -0.341 -4.997 -35.353 1.00 64.22 H new ATOM 0 HZ2 LYS A 64 -0.126 -5.826 -36.820 1.00 64.22 H new ATOM 0 HZ3 LYS A 64 -1.249 -6.394 -35.681 1.00 64.22 H new ATOM 1000 N LEU A 65 4.291 -8.512 -31.866 1.00 12.45 N ATOM 1001 CA LEU A 65 5.600 -7.883 -31.574 1.00 73.10 C ATOM 1002 C LEU A 65 6.666 -8.955 -31.250 1.00 13.24 C ATOM 1003 O LEU A 65 7.834 -8.793 -31.602 1.00 14.13 O ATOM 1004 CB LEU A 65 5.510 -6.831 -30.419 1.00 10.41 C ATOM 1005 CG LEU A 65 5.118 -5.373 -30.826 1.00 2.02 C ATOM 1006 CD1 LEU A 65 3.675 -5.272 -31.358 1.00 35.23 C ATOM 1007 CD2 LEU A 65 5.357 -4.393 -29.655 1.00 44.31 C ATOM 0 H LEU A 65 3.541 -8.208 -31.245 1.00 12.45 H new ATOM 0 HA LEU A 65 5.902 -7.348 -32.475 1.00 73.10 H new ATOM 0 HB2 LEU A 65 4.783 -7.188 -29.690 1.00 10.41 H new ATOM 0 HB3 LEU A 65 6.476 -6.796 -29.915 1.00 10.41 H new ATOM 0 HG LEU A 65 5.770 -5.087 -31.652 1.00 2.02 H new ATOM 0 HD11 LEU A 65 3.457 -4.238 -31.625 1.00 35.23 H new ATOM 0 HD12 LEU A 65 3.567 -5.905 -32.239 1.00 35.23 H new ATOM 0 HD13 LEU A 65 2.979 -5.602 -30.587 1.00 35.23 H new ATOM 0 HD21 LEU A 65 5.077 -3.385 -29.961 1.00 44.31 H new ATOM 0 HD22 LEU A 65 4.752 -4.693 -28.800 1.00 44.31 H new ATOM 0 HD23 LEU A 65 6.411 -4.408 -29.377 1.00 44.31 H new ATOM 1019 N HIS A 66 6.255 -10.035 -30.564 1.00 5.03 N ATOM 1020 CA HIS A 66 7.140 -11.190 -30.293 1.00 31.23 C ATOM 1021 C HIS A 66 7.418 -11.969 -31.595 1.00 10.23 C ATOM 1022 O HIS A 66 8.527 -12.470 -31.804 1.00 14.45 O ATOM 1023 CB HIS A 66 6.524 -12.124 -29.216 1.00 13.34 C ATOM 1024 CG HIS A 66 6.459 -11.523 -27.831 1.00 21.21 C ATOM 1025 ND1 HIS A 66 7.548 -11.398 -27.003 1.00 52.04 N ATOM 1026 CD2 HIS A 66 5.406 -11.020 -27.124 1.00 51.41 C ATOM 1027 CE1 HIS A 66 7.146 -10.856 -25.854 1.00 23.14 C ATOM 1028 NE2 HIS A 66 5.856 -10.609 -25.865 1.00 5.04 N ATOM 0 H HIS A 66 5.314 -10.136 -30.184 1.00 5.03 H new ATOM 0 HA HIS A 66 8.086 -10.811 -29.905 1.00 31.23 H new ATOM 0 HB2 HIS A 66 5.516 -12.401 -29.526 1.00 13.34 H new ATOM 0 HB3 HIS A 66 7.108 -13.043 -29.173 1.00 13.34 H new ATOM 0 HD1 HIS A 66 8.504 -11.674 -27.230 1.00 52.04 H new ATOM 0 HD2 HIS A 66 4.389 -10.950 -27.479 1.00 51.41 H new ATOM 0 HE1 HIS A 66 7.798 -10.646 -25.019 1.00 23.14 H new ATOM 1036 N SER A 67 6.402 -12.041 -32.473 1.00 1.43 N ATOM 1037 CA SER A 67 6.480 -12.781 -33.741 1.00 42.33 C ATOM 1038 C SER A 67 7.184 -11.943 -34.833 1.00 45.12 C ATOM 1039 O SER A 67 6.541 -11.166 -35.551 1.00 2.33 O ATOM 1040 CB SER A 67 5.064 -13.192 -34.191 1.00 3.22 C ATOM 1041 OG SER A 67 4.406 -13.943 -33.188 1.00 51.51 O ATOM 0 H SER A 67 5.502 -11.586 -32.321 1.00 1.43 H new ATOM 0 HA SER A 67 7.076 -13.680 -33.584 1.00 42.33 H new ATOM 0 HB2 SER A 67 4.481 -12.301 -34.424 1.00 3.22 H new ATOM 0 HB3 SER A 67 5.127 -13.780 -35.107 1.00 3.22 H new ATOM 0 HG SER A 67 4.191 -13.359 -32.431 1.00 51.51 H new ATOM 1047 N GLY A 68 8.523 -12.052 -34.891 1.00 13.32 N ATOM 1048 CA GLY A 68 9.336 -11.421 -35.947 1.00 23.45 C ATOM 1049 C GLY A 68 9.595 -9.930 -35.729 1.00 21.15 C ATOM 1050 O GLY A 68 10.110 -9.257 -36.631 1.00 60.00 O ATOM 0 H GLY A 68 9.071 -12.578 -34.210 1.00 13.32 H new ATOM 0 HA2 GLY A 68 10.293 -11.939 -36.012 1.00 23.45 H new ATOM 0 HA3 GLY A 68 8.835 -11.555 -36.906 1.00 23.45 H new ATOM 1054 N GLU A 69 9.234 -9.430 -34.520 1.00 60.42 N ATOM 1055 CA GLU A 69 9.508 -8.038 -34.064 1.00 24.33 C ATOM 1056 C GLU A 69 8.705 -6.993 -34.873 1.00 21.15 C ATOM 1057 O GLU A 69 8.974 -6.770 -36.049 1.00 52.20 O ATOM 1058 CB GLU A 69 11.039 -7.729 -34.086 1.00 14.31 C ATOM 1059 CG GLU A 69 11.889 -8.667 -33.188 1.00 5.45 C ATOM 1060 CD GLU A 69 13.413 -8.476 -33.327 1.00 1.14 C ATOM 1061 OE1 GLU A 69 14.037 -9.122 -34.207 1.00 30.34 O ATOM 1062 OE2 GLU A 69 14.004 -7.686 -32.557 1.00 61.22 O ATOM 0 H GLU A 69 8.738 -9.987 -33.824 1.00 60.42 H new ATOM 0 HA GLU A 69 9.169 -7.964 -33.031 1.00 24.33 H new ATOM 0 HB2 GLU A 69 11.399 -7.803 -35.112 1.00 14.31 H new ATOM 0 HB3 GLU A 69 11.195 -6.699 -33.767 1.00 14.31 H new ATOM 0 HG2 GLU A 69 11.609 -8.505 -32.147 1.00 5.45 H new ATOM 0 HG3 GLU A 69 11.642 -9.701 -33.428 1.00 5.45 H new ATOM 1069 N LYS A 70 7.692 -6.377 -34.235 1.00 40.25 N ATOM 1070 CA LYS A 70 6.913 -5.259 -34.824 1.00 23.43 C ATOM 1071 C LYS A 70 7.323 -3.939 -34.142 1.00 3.10 C ATOM 1072 O LYS A 70 7.415 -3.902 -32.910 1.00 52.32 O ATOM 1073 CB LYS A 70 5.370 -5.493 -34.701 1.00 1.20 C ATOM 1074 CG LYS A 70 4.723 -6.197 -35.913 1.00 20.11 C ATOM 1075 CD LYS A 70 5.247 -7.626 -36.129 1.00 23.45 C ATOM 1076 CE LYS A 70 4.703 -8.277 -37.412 1.00 3.14 C ATOM 1077 NZ LYS A 70 5.247 -9.644 -37.608 1.00 12.41 N ATOM 0 H LYS A 70 7.387 -6.636 -33.297 1.00 40.25 H new ATOM 0 HA LYS A 70 7.139 -5.205 -35.889 1.00 23.43 H new ATOM 0 HB2 LYS A 70 5.177 -6.087 -33.808 1.00 1.20 H new ATOM 0 HB3 LYS A 70 4.881 -4.530 -34.555 1.00 1.20 H new ATOM 0 HG2 LYS A 70 3.643 -6.230 -35.773 1.00 20.11 H new ATOM 0 HG3 LYS A 70 4.910 -5.608 -36.811 1.00 20.11 H new ATOM 0 HD2 LYS A 70 6.336 -7.605 -36.172 1.00 23.45 H new ATOM 0 HD3 LYS A 70 4.973 -8.241 -35.272 1.00 23.45 H new ATOM 0 HE2 LYS A 70 3.615 -8.322 -37.364 1.00 3.14 H new ATOM 0 HE3 LYS A 70 4.959 -7.657 -38.271 1.00 3.14 H new ATOM 0 HZ1 LYS A 70 4.480 -10.284 -37.897 1.00 12.41 H new ATOM 0 HZ2 LYS A 70 5.979 -9.624 -38.347 1.00 12.41 H new ATOM 0 HZ3 LYS A 70 5.663 -9.983 -36.717 1.00 12.41 H new ATOM 1091 N PRO A 71 7.555 -2.832 -34.934 1.00 70.54 N ATOM 1092 CA PRO A 71 8.100 -1.556 -34.409 1.00 50.13 C ATOM 1093 C PRO A 71 7.077 -0.767 -33.570 1.00 21.32 C ATOM 1094 O PRO A 71 5.873 -0.956 -33.711 1.00 74.21 O ATOM 1095 CB PRO A 71 8.472 -0.785 -35.699 1.00 43.41 C ATOM 1096 CG PRO A 71 7.529 -1.287 -36.736 1.00 64.44 C ATOM 1097 CD PRO A 71 7.306 -2.744 -36.409 1.00 5.15 C ATOM 0 HA PRO A 71 8.937 -1.715 -33.729 1.00 50.13 H new ATOM 0 HB2 PRO A 71 8.368 0.291 -35.559 1.00 43.41 H new ATOM 0 HB3 PRO A 71 9.507 -0.971 -35.985 1.00 43.41 H new ATOM 0 HG2 PRO A 71 6.591 -0.732 -36.715 1.00 64.44 H new ATOM 0 HG3 PRO A 71 7.946 -1.169 -37.736 1.00 64.44 H new ATOM 0 HD2 PRO A 71 6.293 -3.058 -36.661 1.00 5.15 H new ATOM 0 HD3 PRO A 71 7.987 -3.386 -36.967 1.00 5.15 H new ATOM 1105 N PHE A 72 7.593 0.126 -32.708 1.00 5.21 N ATOM 1106 CA PHE A 72 6.775 1.097 -31.948 1.00 61.22 C ATOM 1107 C PHE A 72 6.248 2.203 -32.888 1.00 11.22 C ATOM 1108 O PHE A 72 5.253 2.869 -32.590 1.00 25.21 O ATOM 1109 CB PHE A 72 7.601 1.706 -30.771 1.00 72.42 C ATOM 1110 CG PHE A 72 8.858 2.522 -31.176 1.00 11.52 C ATOM 1111 CD1 PHE A 72 10.030 1.889 -31.597 1.00 62.35 C ATOM 1112 CD2 PHE A 72 8.875 3.922 -31.105 1.00 1.54 C ATOM 1113 CE1 PHE A 72 11.163 2.618 -31.933 1.00 71.23 C ATOM 1114 CE2 PHE A 72 10.006 4.645 -31.448 1.00 30.25 C ATOM 1115 CZ PHE A 72 11.152 3.993 -31.856 1.00 52.42 C ATOM 0 H PHE A 72 8.592 0.198 -32.516 1.00 5.21 H new ATOM 0 HA PHE A 72 5.918 0.576 -31.521 1.00 61.22 H new ATOM 0 HB2 PHE A 72 6.945 2.352 -30.188 1.00 72.42 H new ATOM 0 HB3 PHE A 72 7.914 0.894 -30.114 1.00 72.42 H new ATOM 0 HD1 PHE A 72 10.055 0.811 -31.662 1.00 62.35 H new ATOM 0 HD2 PHE A 72 7.990 4.447 -30.777 1.00 1.54 H new ATOM 0 HE1 PHE A 72 12.057 2.105 -32.256 1.00 71.23 H new ATOM 0 HE2 PHE A 72 9.991 5.724 -31.396 1.00 30.25 H new ATOM 0 HZ PHE A 72 12.036 4.558 -32.114 1.00 52.42 H new ATOM 1125 N LYS A 73 6.941 2.382 -34.022 1.00 13.42 N ATOM 1126 CA LYS A 73 6.593 3.364 -35.049 1.00 72.34 C ATOM 1127 C LYS A 73 5.568 2.749 -36.034 1.00 44.25 C ATOM 1128 O LYS A 73 4.370 3.097 -35.960 1.00 32.11 O ATOM 1129 CB LYS A 73 7.888 3.802 -35.779 1.00 53.43 C ATOM 1130 CG LYS A 73 8.906 4.534 -34.882 1.00 73.33 C ATOM 1131 CD LYS A 73 10.229 4.867 -35.608 1.00 62.24 C ATOM 1132 CE LYS A 73 10.007 5.678 -36.888 1.00 32.22 C ATOM 1133 NZ LYS A 73 9.300 6.968 -36.641 1.00 71.43 N ATOM 1134 OXT LYS A 73 5.956 1.890 -36.861 1.00 37.47 O ATOM 0 H LYS A 73 7.772 1.837 -34.251 1.00 13.42 H new ATOM 0 HA LYS A 73 6.133 4.242 -34.596 1.00 72.34 H new ATOM 0 HB2 LYS A 73 8.366 2.921 -36.206 1.00 53.43 H new ATOM 0 HB3 LYS A 73 7.620 4.454 -36.610 1.00 53.43 H new ATOM 0 HG2 LYS A 73 8.458 5.457 -34.514 1.00 73.33 H new ATOM 0 HG3 LYS A 73 9.123 3.916 -34.011 1.00 73.33 H new ATOM 0 HD2 LYS A 73 10.878 5.427 -34.935 1.00 62.24 H new ATOM 0 HD3 LYS A 73 10.748 3.941 -35.854 1.00 62.24 H new ATOM 0 HE2 LYS A 73 10.971 5.881 -37.355 1.00 32.22 H new ATOM 0 HE3 LYS A 73 9.429 5.082 -37.594 1.00 32.22 H new ATOM 0 HZ1 LYS A 73 9.207 7.490 -37.536 1.00 71.43 H new ATOM 0 HZ2 LYS A 73 8.355 6.777 -36.252 1.00 71.43 H new ATOM 0 HZ3 LYS A 73 9.845 7.538 -35.963 1.00 71.43 H new TER 1148 LYS A 73 HETATM 1149 ZN ZN A 101 4.912 -10.192 -24.340 1.00 62.42 ZN