USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 46 CYS SG : rot -95:sc= -0.749! USER MOD Set 1.2: A 49 CYS SG : rot 113:sc= -3.9! USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0247 (180deg=-0.29) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.23 (180deg=0.507) 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 X(o=0,f=-0.01) USER MOD Single : A 5 HIS : no HD1:sc= -0.0252 X(o=-0.025,f=-0.025) USER MOD Single : A 6 HIS : no HD1:sc= -0.0971 X(o=-0.097,f=-0.0048) USER MOD Single : A 7 HIS : no HE2:sc= -0.0605 K(o=-0.061,f=-1.3) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= 0.354 K(o=0.35,f=-1.2) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= -0.0582 (180deg=-0.391) USER MOD Single : A 18 CYS SG : rot 32:sc= 0.0297 USER MOD Single : A 21 CYS SG : rot 57:sc= 0.518 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= 0.217 K(o=0.22,f=-4.2!) 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 X(o=0,f=-0.0028) USER MOD Single : A 39 THR OG1 : rot -13:sc= 0.842 USER MOD Single : A 45 HIS : no HD1:sc= -0.0111 K(o=-0.011,f=-0.74) USER MOD Single : A 47 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.24) USER MOD Single : A 48 GLN : amide:sc= 0.309 K(o=0.31,f=-2.2!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0646 X(o=-0.065,f=-0.39) USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= -0.0091 (180deg=-0.118) USER MOD Single : A 58 ASN : amide:sc= -0.832 K(o=-0.83,f=-3!) USER MOD Single : A 64 LYS NZ :NH3+ 169:sc=-0.00184 (180deg=-0.135) USER MOD Single : A 67 SER OG : rot 68:sc= 0.869 USER MOD Single : A 70 LYS NZ :NH3+ -143:sc= 0.687 (180deg=0.183) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -40.802 -47.599 73.531 1.00 44.23 N ATOM 2 CA MET A 1 -39.688 -46.632 73.614 1.00 74.14 C ATOM 3 C MET A 1 -39.892 -45.514 72.570 1.00 45.31 C ATOM 4 O MET A 1 -40.197 -44.369 72.927 1.00 41.45 O ATOM 5 CB MET A 1 -38.321 -47.346 73.406 1.00 53.44 C ATOM 6 CG MET A 1 -38.006 -48.466 74.417 1.00 5.35 C ATOM 7 SD MET A 1 -39.087 -49.911 74.247 1.00 34.43 S ATOM 8 CE MET A 1 -38.573 -50.568 72.657 1.00 53.32 C ATOM 0 H1 MET A 1 -40.468 -48.539 73.825 1.00 44.23 H new ATOM 0 H2 MET A 1 -41.574 -47.294 74.157 1.00 44.23 H new ATOM 0 H3 MET A 1 -41.149 -47.646 72.552 1.00 44.23 H new ATOM 0 HA MET A 1 -39.679 -46.186 74.608 1.00 74.14 H new ATOM 0 HB2 MET A 1 -38.299 -47.768 72.401 1.00 53.44 H new ATOM 0 HB3 MET A 1 -37.528 -46.600 73.456 1.00 53.44 H new ATOM 0 HG2 MET A 1 -36.970 -48.779 74.290 1.00 5.35 H new ATOM 0 HG3 MET A 1 -38.098 -48.069 75.428 1.00 5.35 H new ATOM 0 HE1 MET A 1 -38.950 -51.584 72.544 1.00 53.32 H new ATOM 0 HE2 MET A 1 -38.972 -49.942 71.859 1.00 53.32 H new ATOM 0 HE3 MET A 1 -37.484 -50.577 72.602 1.00 53.32 H new ATOM 20 N GLY A 2 -39.757 -45.875 71.274 1.00 31.02 N ATOM 21 CA GLY A 2 -39.875 -44.914 70.165 1.00 55.35 C ATOM 22 C GLY A 2 -41.116 -45.160 69.313 1.00 21.12 C ATOM 23 O GLY A 2 -41.854 -46.125 69.531 1.00 44.02 O ATOM 0 H GLY A 2 -39.565 -46.831 70.974 1.00 31.02 H new ATOM 0 HA2 GLY A 2 -39.908 -43.901 70.567 1.00 55.35 H new ATOM 0 HA3 GLY A 2 -38.987 -44.978 69.536 1.00 55.35 H new ATOM 27 N HIS A 3 -41.339 -44.268 68.344 1.00 64.33 N ATOM 28 CA HIS A 3 -42.440 -44.351 67.364 1.00 20.41 C ATOM 29 C HIS A 3 -41.911 -43.906 65.986 1.00 13.21 C ATOM 30 O HIS A 3 -40.695 -43.962 65.744 1.00 20.54 O ATOM 31 CB HIS A 3 -43.651 -43.479 67.829 1.00 74.23 C ATOM 32 CG HIS A 3 -44.507 -44.113 68.894 1.00 1.23 C ATOM 33 ND1 HIS A 3 -44.606 -43.629 70.178 1.00 30.14 N ATOM 34 CD2 HIS A 3 -45.343 -45.178 68.837 1.00 11.41 C ATOM 35 CE1 HIS A 3 -45.462 -44.364 70.859 1.00 11.13 C ATOM 36 NE2 HIS A 3 -45.920 -45.307 70.067 1.00 21.40 N ATOM 0 H HIS A 3 -40.749 -43.447 68.211 1.00 64.33 H new ATOM 0 HA HIS A 3 -42.797 -45.378 67.287 1.00 20.41 H new ATOM 0 HB2 HIS A 3 -43.274 -42.527 68.203 1.00 74.23 H new ATOM 0 HB3 HIS A 3 -44.276 -43.257 66.964 1.00 74.23 H new ATOM 0 HD2 HIS A 3 -45.520 -45.808 67.978 1.00 11.41 H new ATOM 0 HE1 HIS A 3 -45.740 -44.216 71.892 1.00 11.13 H new ATOM 0 HE2 HIS A 3 -46.599 -46.022 70.330 1.00 21.40 H new ATOM 45 N HIS A 4 -42.845 -43.518 65.071 1.00 63.33 N ATOM 46 CA HIS A 4 -42.532 -42.968 63.732 1.00 62.13 C ATOM 47 C HIS A 4 -41.926 -44.037 62.808 1.00 2.01 C ATOM 48 O HIS A 4 -41.252 -43.706 61.827 1.00 41.44 O ATOM 49 CB HIS A 4 -41.613 -41.704 63.817 1.00 22.31 C ATOM 50 CG HIS A 4 -42.248 -40.501 64.479 1.00 60.35 C ATOM 51 ND1 HIS A 4 -42.399 -39.290 63.838 1.00 75.30 N ATOM 52 CD2 HIS A 4 -42.730 -40.312 65.732 1.00 20.04 C ATOM 53 CE1 HIS A 4 -42.940 -38.417 64.660 1.00 73.55 C ATOM 54 NE2 HIS A 4 -43.156 -39.008 65.816 1.00 74.34 N ATOM 0 H HIS A 4 -43.847 -43.582 65.251 1.00 63.33 H new ATOM 0 HA HIS A 4 -43.478 -42.650 63.293 1.00 62.13 H new ATOM 0 HB2 HIS A 4 -40.708 -41.967 64.364 1.00 22.31 H new ATOM 0 HB3 HIS A 4 -41.307 -41.426 62.808 1.00 22.31 H new ATOM 0 HD2 HIS A 4 -42.772 -41.050 66.519 1.00 20.04 H new ATOM 0 HE1 HIS A 4 -43.169 -37.388 64.426 1.00 73.55 H new ATOM 0 HE2 HIS A 4 -43.571 -38.570 66.639 1.00 74.34 H new ATOM 63 N HIS A 5 -42.209 -45.322 63.113 1.00 0.35 N ATOM 64 CA HIS A 5 -41.738 -46.456 62.301 1.00 3.44 C ATOM 65 C HIS A 5 -42.341 -46.386 60.885 1.00 12.33 C ATOM 66 O HIS A 5 -43.532 -46.079 60.734 1.00 4.31 O ATOM 67 CB HIS A 5 -42.050 -47.819 62.990 1.00 43.21 C ATOM 68 CG HIS A 5 -43.499 -48.062 63.351 1.00 3.23 C ATOM 69 ND1 HIS A 5 -43.969 -47.971 64.643 1.00 31.24 N ATOM 70 CD2 HIS A 5 -44.571 -48.430 62.602 1.00 4.44 C ATOM 71 CE1 HIS A 5 -45.249 -48.268 64.673 1.00 1.24 C ATOM 72 NE2 HIS A 5 -45.639 -48.547 63.447 1.00 50.34 N ATOM 0 H HIS A 5 -42.766 -45.597 63.922 1.00 0.35 H new ATOM 0 HA HIS A 5 -40.654 -46.386 62.212 1.00 3.44 H new ATOM 0 HB2 HIS A 5 -41.721 -48.621 62.330 1.00 43.21 H new ATOM 0 HB3 HIS A 5 -41.453 -47.889 63.899 1.00 43.21 H new ATOM 0 HD2 HIS A 5 -44.578 -48.599 61.535 1.00 4.44 H new ATOM 0 HE1 HIS A 5 -45.874 -48.281 65.553 1.00 1.24 H new ATOM 0 HE2 HIS A 5 -46.586 -48.808 63.172 1.00 50.34 H new ATOM 81 N HIS A 6 -41.492 -46.648 59.870 1.00 71.42 N ATOM 82 CA HIS A 6 -41.858 -46.590 58.435 1.00 51.50 C ATOM 83 C HIS A 6 -42.152 -45.133 58.016 1.00 40.03 C ATOM 84 O HIS A 6 -43.302 -44.683 58.062 1.00 73.11 O ATOM 85 CB HIS A 6 -43.065 -47.534 58.093 1.00 61.33 C ATOM 86 CG HIS A 6 -42.836 -49.013 58.338 1.00 73.30 C ATOM 87 ND1 HIS A 6 -43.276 -50.001 57.475 1.00 22.32 N ATOM 88 CD2 HIS A 6 -42.256 -49.668 59.370 1.00 53.44 C ATOM 89 CE1 HIS A 6 -42.969 -51.187 57.965 1.00 5.01 C ATOM 90 NE2 HIS A 6 -42.353 -51.008 59.110 1.00 54.45 N ATOM 0 H HIS A 6 -40.518 -46.910 60.024 1.00 71.42 H new ATOM 0 HA HIS A 6 -41.005 -46.953 57.861 1.00 51.50 H new ATOM 0 HB2 HIS A 6 -43.927 -47.217 58.680 1.00 61.33 H new ATOM 0 HB3 HIS A 6 -43.325 -47.395 57.044 1.00 61.33 H new ATOM 0 HD2 HIS A 6 -41.800 -49.216 60.239 1.00 53.44 H new ATOM 0 HE1 HIS A 6 -43.187 -52.139 57.504 1.00 5.01 H new ATOM 0 HE2 HIS A 6 -42.001 -51.752 59.712 1.00 54.45 H new ATOM 99 N HIS A 7 -41.088 -44.385 57.671 1.00 32.22 N ATOM 100 CA HIS A 7 -41.203 -42.987 57.217 1.00 3.23 C ATOM 101 C HIS A 7 -40.217 -42.738 56.063 1.00 61.25 C ATOM 102 O HIS A 7 -39.018 -42.555 56.271 1.00 63.34 O ATOM 103 CB HIS A 7 -41.000 -41.989 58.404 1.00 61.12 C ATOM 104 CG HIS A 7 -39.653 -42.016 59.096 1.00 50.12 C ATOM 105 ND1 HIS A 7 -39.262 -43.016 59.954 1.00 64.00 N ATOM 106 CD2 HIS A 7 -38.604 -41.147 59.046 1.00 1.02 C ATOM 107 CE1 HIS A 7 -38.046 -42.773 60.391 1.00 45.03 C ATOM 108 NE2 HIS A 7 -37.621 -41.651 59.855 1.00 31.12 N ATOM 0 H HIS A 7 -40.129 -44.731 57.699 1.00 32.22 H new ATOM 0 HA HIS A 7 -42.211 -42.811 56.841 1.00 3.23 H new ATOM 0 HB2 HIS A 7 -41.170 -40.979 58.031 1.00 61.12 H new ATOM 0 HB3 HIS A 7 -41.769 -42.188 59.150 1.00 61.12 H new ATOM 0 HD1 HIS A 7 -39.829 -43.824 60.212 1.00 64.00 H new ATOM 0 HD2 HIS A 7 -38.557 -40.232 58.475 1.00 1.02 H new ATOM 0 HE1 HIS A 7 -37.488 -43.393 61.077 1.00 45.03 H new ATOM 117 N HIS A 8 -40.727 -42.809 54.831 1.00 60.42 N ATOM 118 CA HIS A 8 -39.938 -42.544 53.617 1.00 72.13 C ATOM 119 C HIS A 8 -40.882 -42.115 52.483 1.00 63.22 C ATOM 120 O HIS A 8 -41.885 -42.791 52.209 1.00 23.53 O ATOM 121 CB HIS A 8 -39.077 -43.774 53.198 1.00 11.21 C ATOM 122 CG HIS A 8 -39.853 -45.033 52.862 1.00 51.35 C ATOM 123 ND1 HIS A 8 -39.907 -45.572 51.594 1.00 24.24 N ATOM 124 CD2 HIS A 8 -40.571 -45.877 53.646 1.00 5.12 C ATOM 125 CE1 HIS A 8 -40.616 -46.682 51.614 1.00 3.41 C ATOM 126 NE2 HIS A 8 -41.030 -46.884 52.842 1.00 23.45 N ATOM 0 H HIS A 8 -41.700 -43.052 54.643 1.00 60.42 H new ATOM 0 HA HIS A 8 -39.238 -41.736 53.830 1.00 72.13 H new ATOM 0 HB2 HIS A 8 -38.477 -43.497 52.332 1.00 11.21 H new ATOM 0 HB3 HIS A 8 -38.383 -44.002 54.007 1.00 11.21 H new ATOM 0 HD2 HIS A 8 -40.747 -45.773 54.706 1.00 5.12 H new ATOM 0 HE1 HIS A 8 -40.821 -47.317 50.765 1.00 3.41 H new ATOM 0 HE2 HIS A 8 -41.604 -47.669 53.149 1.00 23.45 H new ATOM 135 N SER A 9 -40.559 -40.975 51.862 1.00 33.42 N ATOM 136 CA SER A 9 -41.331 -40.395 50.758 1.00 63.01 C ATOM 137 C SER A 9 -40.434 -39.425 49.968 1.00 74.34 C ATOM 138 O SER A 9 -39.338 -39.072 50.428 1.00 41.15 O ATOM 139 CB SER A 9 -42.585 -39.663 51.310 1.00 44.13 C ATOM 140 OG SER A 9 -43.433 -39.214 50.265 1.00 3.51 O ATOM 0 H SER A 9 -39.741 -40.421 52.117 1.00 33.42 H new ATOM 0 HA SER A 9 -41.670 -41.187 50.090 1.00 63.01 H new ATOM 0 HB2 SER A 9 -43.139 -40.335 51.965 1.00 44.13 H new ATOM 0 HB3 SER A 9 -42.273 -38.813 51.916 1.00 44.13 H new ATOM 0 HG SER A 9 -44.212 -38.760 50.648 1.00 3.51 H new ATOM 146 N HIS A 10 -40.897 -38.988 48.790 1.00 11.14 N ATOM 147 CA HIS A 10 -40.122 -38.087 47.914 1.00 30.23 C ATOM 148 C HIS A 10 -41.068 -37.215 47.077 1.00 71.53 C ATOM 149 O HIS A 10 -42.294 -37.339 47.168 1.00 33.54 O ATOM 150 CB HIS A 10 -39.155 -38.900 47.009 1.00 72.15 C ATOM 151 CG HIS A 10 -39.836 -39.795 45.999 1.00 42.11 C ATOM 152 ND1 HIS A 10 -40.047 -39.422 44.689 1.00 41.13 N ATOM 153 CD2 HIS A 10 -40.349 -41.047 46.111 1.00 4.22 C ATOM 154 CE1 HIS A 10 -40.655 -40.395 44.044 1.00 43.40 C ATOM 155 NE2 HIS A 10 -40.850 -41.390 44.883 1.00 32.23 N ATOM 0 H HIS A 10 -41.811 -39.244 48.416 1.00 11.14 H new ATOM 0 HA HIS A 10 -39.517 -37.428 48.537 1.00 30.23 H new ATOM 0 HB2 HIS A 10 -38.506 -38.204 46.478 1.00 72.15 H new ATOM 0 HB3 HIS A 10 -38.515 -39.513 47.643 1.00 72.15 H new ATOM 0 HD1 HIS A 10 -39.774 -38.528 44.281 1.00 41.13 H new ATOM 0 HD2 HIS A 10 -40.360 -41.658 47.001 1.00 4.22 H new ATOM 0 HE1 HIS A 10 -40.944 -40.379 43.004 1.00 43.40 H new ATOM 164 N MET A 11 -40.479 -36.329 46.269 1.00 3.55 N ATOM 165 CA MET A 11 -41.215 -35.397 45.397 1.00 0.02 C ATOM 166 C MET A 11 -41.561 -36.089 44.051 1.00 54.52 C ATOM 167 O MET A 11 -40.737 -36.849 43.531 1.00 32.21 O ATOM 168 CB MET A 11 -40.358 -34.121 45.162 1.00 13.40 C ATOM 169 CG MET A 11 -40.084 -33.288 46.433 1.00 65.24 C ATOM 170 SD MET A 11 -39.143 -34.197 47.691 1.00 42.32 S ATOM 171 CE MET A 11 -38.976 -32.978 48.999 1.00 33.20 C ATOM 0 H MET A 11 -39.466 -36.234 46.198 1.00 3.55 H new ATOM 0 HA MET A 11 -42.149 -35.106 45.878 1.00 0.02 H new ATOM 0 HB2 MET A 11 -39.404 -34.415 44.724 1.00 13.40 H new ATOM 0 HB3 MET A 11 -40.863 -33.489 44.431 1.00 13.40 H new ATOM 0 HG2 MET A 11 -39.536 -32.387 46.158 1.00 65.24 H new ATOM 0 HG3 MET A 11 -41.033 -32.966 46.861 1.00 65.24 H new ATOM 0 HE1 MET A 11 -38.418 -33.410 49.830 1.00 33.20 H new ATOM 0 HE2 MET A 11 -38.444 -32.106 48.618 1.00 33.20 H new ATOM 0 HE3 MET A 11 -39.965 -32.677 49.344 1.00 33.20 H new ATOM 181 N PRO A 12 -42.791 -35.853 43.481 1.00 63.22 N ATOM 182 CA PRO A 12 -43.235 -36.461 42.188 1.00 40.22 C ATOM 183 C PRO A 12 -42.285 -36.151 41.007 1.00 73.31 C ATOM 184 O PRO A 12 -41.992 -34.985 40.734 1.00 0.33 O ATOM 185 CB PRO A 12 -44.647 -35.840 41.973 1.00 33.32 C ATOM 186 CG PRO A 12 -45.108 -35.491 43.357 1.00 52.53 C ATOM 187 CD PRO A 12 -43.866 -34.997 44.065 1.00 51.02 C ATOM 0 HA PRO A 12 -43.240 -37.550 42.228 1.00 40.22 H new ATOM 0 HB2 PRO A 12 -44.602 -34.958 41.334 1.00 33.32 H new ATOM 0 HB3 PRO A 12 -45.324 -36.547 41.494 1.00 33.32 H new ATOM 0 HG2 PRO A 12 -45.882 -34.724 43.334 1.00 52.53 H new ATOM 0 HG3 PRO A 12 -45.533 -36.358 43.863 1.00 52.53 H new ATOM 0 HD2 PRO A 12 -43.687 -33.938 43.877 1.00 51.02 H new ATOM 0 HD3 PRO A 12 -43.940 -35.121 45.145 1.00 51.02 H new ATOM 195 N ASN A 13 -41.819 -37.211 40.329 1.00 13.03 N ATOM 196 CA ASN A 13 -40.791 -37.120 39.259 1.00 13.03 C ATOM 197 C ASN A 13 -41.373 -37.605 37.915 1.00 21.43 C ATOM 198 O ASN A 13 -42.170 -38.555 37.882 1.00 53.10 O ATOM 199 CB ASN A 13 -39.564 -37.980 39.667 1.00 74.43 C ATOM 200 CG ASN A 13 -38.361 -37.871 38.716 1.00 34.14 C ATOM 201 OD1 ASN A 13 -38.115 -36.828 38.108 1.00 55.24 O ATOM 202 ND2 ASN A 13 -37.604 -38.951 38.596 1.00 14.10 N ATOM 0 H ASN A 13 -42.141 -38.163 40.502 1.00 13.03 H new ATOM 0 HA ASN A 13 -40.480 -36.083 39.135 1.00 13.03 H new ATOM 0 HB2 ASN A 13 -39.247 -37.686 40.668 1.00 74.43 H new ATOM 0 HB3 ASN A 13 -39.872 -39.024 39.724 1.00 74.43 H new ATOM 0 HD21 ASN A 13 -36.787 -38.936 37.985 1.00 14.10 H new ATOM 0 HD22 ASN A 13 -37.838 -39.798 39.115 1.00 14.10 H new ATOM 209 N GLY A 14 -40.951 -36.962 36.814 1.00 10.32 N ATOM 210 CA GLY A 14 -41.419 -37.305 35.472 1.00 23.30 C ATOM 211 C GLY A 14 -41.034 -36.235 34.460 1.00 4.34 C ATOM 212 O GLY A 14 -41.862 -35.395 34.083 1.00 54.32 O ATOM 0 H GLY A 14 -40.279 -36.195 36.834 1.00 10.32 H new ATOM 0 HA2 GLY A 14 -40.995 -38.263 35.171 1.00 23.30 H new ATOM 0 HA3 GLY A 14 -42.502 -37.425 35.482 1.00 23.30 H new ATOM 216 N LYS A 15 -39.765 -36.265 34.031 1.00 54.14 N ATOM 217 CA LYS A 15 -39.160 -35.229 33.170 1.00 71.14 C ATOM 218 C LYS A 15 -39.397 -35.534 31.668 1.00 65.31 C ATOM 219 O LYS A 15 -38.457 -35.814 30.918 1.00 54.32 O ATOM 220 CB LYS A 15 -37.635 -35.133 33.487 1.00 74.31 C ATOM 221 CG LYS A 15 -37.303 -34.892 34.981 1.00 10.13 C ATOM 222 CD LYS A 15 -35.779 -34.879 35.250 1.00 3.43 C ATOM 223 CE LYS A 15 -35.430 -34.755 36.741 1.00 11.33 C ATOM 224 NZ LYS A 15 -33.955 -34.806 36.969 1.00 4.11 N ATOM 0 H LYS A 15 -39.119 -37.016 34.273 1.00 54.14 H new ATOM 0 HA LYS A 15 -39.635 -34.270 33.379 1.00 71.14 H new ATOM 0 HB2 LYS A 15 -37.151 -36.055 33.165 1.00 74.31 H new ATOM 0 HB3 LYS A 15 -37.204 -34.324 32.897 1.00 74.31 H new ATOM 0 HG2 LYS A 15 -37.734 -33.942 35.298 1.00 10.13 H new ATOM 0 HG3 LYS A 15 -37.769 -35.671 35.585 1.00 10.13 H new ATOM 0 HD2 LYS A 15 -35.339 -35.795 34.855 1.00 3.43 H new ATOM 0 HD3 LYS A 15 -35.328 -34.048 34.707 1.00 3.43 H new ATOM 0 HE2 LYS A 15 -35.826 -33.817 37.131 1.00 11.33 H new ATOM 0 HE3 LYS A 15 -35.912 -35.560 37.296 1.00 11.33 H new ATOM 0 HZ1 LYS A 15 -33.758 -34.719 37.986 1.00 4.11 H new ATOM 0 HZ2 LYS A 15 -33.581 -35.711 36.620 1.00 4.11 H new ATOM 0 HZ3 LYS A 15 -33.498 -34.023 36.460 1.00 4.11 H new ATOM 238 N LEU A 16 -40.673 -35.493 31.243 1.00 53.13 N ATOM 239 CA LEU A 16 -41.062 -35.761 29.839 1.00 4.24 C ATOM 240 C LEU A 16 -41.195 -34.435 29.059 1.00 2.20 C ATOM 241 O LEU A 16 -41.913 -33.532 29.496 1.00 43.41 O ATOM 242 CB LEU A 16 -42.407 -36.562 29.759 1.00 31.24 C ATOM 243 CG LEU A 16 -42.386 -38.077 30.188 1.00 44.23 C ATOM 244 CD1 LEU A 16 -41.354 -38.886 29.375 1.00 32.31 C ATOM 245 CD2 LEU A 16 -42.176 -38.255 31.706 1.00 53.11 C ATOM 0 H LEU A 16 -41.460 -35.275 31.854 1.00 53.13 H new ATOM 0 HA LEU A 16 -40.278 -36.369 29.388 1.00 4.24 H new ATOM 0 HB2 LEU A 16 -43.140 -36.048 30.380 1.00 31.24 H new ATOM 0 HB3 LEU A 16 -42.767 -36.510 28.732 1.00 31.24 H new ATOM 0 HG LEU A 16 -43.373 -38.479 29.958 1.00 44.23 H new ATOM 0 HD11 LEU A 16 -41.369 -39.926 29.700 1.00 32.31 H new ATOM 0 HD12 LEU A 16 -41.604 -38.833 28.315 1.00 32.31 H new ATOM 0 HD13 LEU A 16 -40.359 -38.471 29.535 1.00 32.31 H new ATOM 0 HD21 LEU A 16 -42.169 -39.317 31.950 1.00 53.11 H new ATOM 0 HD22 LEU A 16 -41.224 -37.810 31.996 1.00 53.11 H new ATOM 0 HD23 LEU A 16 -42.986 -37.764 32.245 1.00 53.11 H new ATOM 257 N LYS A 17 -40.490 -34.341 27.918 1.00 43.42 N ATOM 258 CA LYS A 17 -40.632 -33.238 26.942 1.00 40.50 C ATOM 259 C LYS A 17 -39.951 -33.646 25.618 1.00 60.52 C ATOM 260 O LYS A 17 -39.086 -34.535 25.614 1.00 14.20 O ATOM 261 CB LYS A 17 -40.021 -31.900 27.478 1.00 44.05 C ATOM 262 CG LYS A 17 -38.475 -31.790 27.399 1.00 45.12 C ATOM 263 CD LYS A 17 -37.922 -30.520 28.089 1.00 2.31 C ATOM 264 CE LYS A 17 -38.002 -30.608 29.622 1.00 73.35 C ATOM 265 NZ LYS A 17 -37.191 -31.738 30.150 1.00 13.03 N ATOM 0 H LYS A 17 -39.796 -35.036 27.641 1.00 43.42 H new ATOM 0 HA LYS A 17 -41.695 -33.060 26.777 1.00 40.50 H new ATOM 0 HB2 LYS A 17 -40.455 -31.073 26.917 1.00 44.05 H new ATOM 0 HB3 LYS A 17 -40.324 -31.774 28.518 1.00 44.05 H new ATOM 0 HG2 LYS A 17 -38.030 -32.671 27.861 1.00 45.12 H new ATOM 0 HG3 LYS A 17 -38.169 -31.790 26.353 1.00 45.12 H new ATOM 0 HD2 LYS A 17 -36.885 -30.369 27.789 1.00 2.31 H new ATOM 0 HD3 LYS A 17 -38.483 -29.650 27.747 1.00 2.31 H new ATOM 0 HE2 LYS A 17 -37.652 -29.673 30.059 1.00 73.35 H new ATOM 0 HE3 LYS A 17 -39.041 -30.732 29.926 1.00 73.35 H new ATOM 0 HZ1 LYS A 17 -37.030 -31.603 31.169 1.00 13.03 H new ATOM 0 HZ2 LYS A 17 -37.699 -32.632 29.995 1.00 13.03 H new ATOM 0 HZ3 LYS A 17 -36.276 -31.769 29.656 1.00 13.03 H new ATOM 279 N CYS A 18 -40.334 -32.991 24.510 1.00 51.34 N ATOM 280 CA CYS A 18 -39.709 -33.212 23.191 1.00 61.30 C ATOM 281 C CYS A 18 -40.036 -32.049 22.236 1.00 11.34 C ATOM 282 O CYS A 18 -41.210 -31.675 22.075 1.00 14.25 O ATOM 283 CB CYS A 18 -40.170 -34.562 22.576 1.00 71.40 C ATOM 284 SG CYS A 18 -41.956 -34.741 22.435 1.00 63.32 S ATOM 0 H CYS A 18 -41.081 -32.297 24.500 1.00 51.34 H new ATOM 0 HA CYS A 18 -38.629 -33.254 23.333 1.00 61.30 H new ATOM 0 HB2 CYS A 18 -39.727 -34.667 21.586 1.00 71.40 H new ATOM 0 HB3 CYS A 18 -39.782 -35.377 23.187 1.00 71.40 H new ATOM 0 HG CYS A 18 -42.494 -33.576 22.224 1.00 63.32 H new ATOM 290 N ASP A 19 -38.980 -31.489 21.619 1.00 60.22 N ATOM 291 CA ASP A 19 -39.075 -30.453 20.581 1.00 65.44 C ATOM 292 C ASP A 19 -37.766 -30.427 19.771 1.00 74.32 C ATOM 293 O ASP A 19 -36.685 -30.693 20.314 1.00 32.25 O ATOM 294 CB ASP A 19 -39.342 -29.054 21.206 1.00 1.42 C ATOM 295 CG ASP A 19 -39.505 -27.938 20.150 1.00 42.22 C ATOM 296 OD1 ASP A 19 -40.631 -27.721 19.664 1.00 22.45 O ATOM 297 OD2 ASP A 19 -38.511 -27.255 19.817 1.00 55.23 O ATOM 0 H ASP A 19 -38.018 -31.751 21.834 1.00 60.22 H new ATOM 0 HA ASP A 19 -39.912 -30.691 19.925 1.00 65.44 H new ATOM 0 HB2 ASP A 19 -40.243 -29.102 21.817 1.00 1.42 H new ATOM 0 HB3 ASP A 19 -38.518 -28.798 21.872 1.00 1.42 H new ATOM 302 N VAL A 20 -37.875 -30.095 18.478 1.00 64.23 N ATOM 303 CA VAL A 20 -36.730 -29.961 17.557 1.00 43.24 C ATOM 304 C VAL A 20 -36.807 -28.601 16.838 1.00 13.32 C ATOM 305 O VAL A 20 -37.905 -28.116 16.528 1.00 3.12 O ATOM 306 CB VAL A 20 -36.698 -31.151 16.521 1.00 34.12 C ATOM 307 CG1 VAL A 20 -37.997 -31.227 15.681 1.00 45.42 C ATOM 308 CG2 VAL A 20 -35.436 -31.093 15.618 1.00 71.12 C ATOM 0 H VAL A 20 -38.773 -29.908 18.032 1.00 64.23 H new ATOM 0 HA VAL A 20 -35.804 -30.005 18.131 1.00 43.24 H new ATOM 0 HB VAL A 20 -36.641 -32.072 17.101 1.00 34.12 H new ATOM 0 HG11 VAL A 20 -37.930 -32.061 14.982 1.00 45.42 H new ATOM 0 HG12 VAL A 20 -38.850 -31.376 16.343 1.00 45.42 H new ATOM 0 HG13 VAL A 20 -38.126 -30.298 15.126 1.00 45.42 H new ATOM 0 HG21 VAL A 20 -35.450 -31.929 14.918 1.00 71.12 H new ATOM 0 HG22 VAL A 20 -35.429 -30.155 15.063 1.00 71.12 H new ATOM 0 HG23 VAL A 20 -34.542 -31.154 16.238 1.00 71.12 H new ATOM 318 N CYS A 21 -35.644 -27.979 16.608 1.00 43.23 N ATOM 319 CA CYS A 21 -35.531 -26.689 15.900 1.00 52.11 C ATOM 320 C CYS A 21 -34.295 -26.679 14.987 1.00 51.12 C ATOM 321 O CYS A 21 -33.531 -27.649 14.950 1.00 4.21 O ATOM 322 CB CYS A 21 -35.467 -25.532 16.920 1.00 70.45 C ATOM 323 SG CYS A 21 -36.971 -25.319 17.899 1.00 30.44 S ATOM 0 H CYS A 21 -34.745 -28.356 16.909 1.00 43.23 H new ATOM 0 HA CYS A 21 -36.413 -26.554 15.274 1.00 52.11 H new ATOM 0 HB2 CYS A 21 -34.629 -25.705 17.596 1.00 70.45 H new ATOM 0 HB3 CYS A 21 -35.260 -24.604 16.387 1.00 70.45 H new ATOM 0 HG CYS A 21 -37.239 -26.424 18.529 1.00 30.44 H new ATOM 329 N GLY A 22 -34.111 -25.574 14.252 1.00 23.01 N ATOM 330 CA GLY A 22 -32.974 -25.404 13.350 1.00 0.21 C ATOM 331 C GLY A 22 -33.329 -25.816 11.934 1.00 45.52 C ATOM 332 O GLY A 22 -33.227 -26.995 11.592 1.00 0.54 O ATOM 0 H GLY A 22 -34.747 -24.777 14.269 1.00 23.01 H new ATOM 0 HA2 GLY A 22 -32.653 -24.362 13.358 1.00 0.21 H new ATOM 0 HA3 GLY A 22 -32.133 -26.000 13.705 1.00 0.21 H new ATOM 336 N MET A 23 -33.784 -24.845 11.121 1.00 3.42 N ATOM 337 CA MET A 23 -34.134 -25.071 9.705 1.00 4.10 C ATOM 338 C MET A 23 -32.874 -25.362 8.868 1.00 65.24 C ATOM 339 O MET A 23 -31.755 -25.068 9.296 1.00 54.10 O ATOM 340 CB MET A 23 -34.890 -23.839 9.117 1.00 44.13 C ATOM 341 CG MET A 23 -34.039 -22.563 8.943 1.00 24.12 C ATOM 342 SD MET A 23 -34.970 -21.176 8.254 1.00 14.31 S ATOM 343 CE MET A 23 -33.676 -19.942 8.069 1.00 74.14 C ATOM 0 H MET A 23 -33.920 -23.881 11.426 1.00 3.42 H new ATOM 0 HA MET A 23 -34.791 -25.939 9.660 1.00 4.10 H new ATOM 0 HB2 MET A 23 -35.302 -24.116 8.147 1.00 44.13 H new ATOM 0 HB3 MET A 23 -35.734 -23.607 9.767 1.00 44.13 H new ATOM 0 HG2 MET A 23 -33.629 -22.273 9.910 1.00 24.12 H new ATOM 0 HG3 MET A 23 -33.193 -22.784 8.292 1.00 24.12 H new ATOM 0 HE1 MET A 23 -34.101 -19.029 7.653 1.00 74.14 H new ATOM 0 HE2 MET A 23 -33.236 -19.727 9.043 1.00 74.14 H new ATOM 0 HE3 MET A 23 -32.905 -20.321 7.399 1.00 74.14 H new ATOM 353 N VAL A 24 -33.067 -25.927 7.674 1.00 25.52 N ATOM 354 CA VAL A 24 -31.964 -26.204 6.732 1.00 34.35 C ATOM 355 C VAL A 24 -32.297 -25.572 5.365 1.00 4.52 C ATOM 356 O VAL A 24 -33.425 -25.713 4.856 1.00 61.53 O ATOM 357 CB VAL A 24 -31.674 -27.751 6.613 1.00 4.54 C ATOM 358 CG1 VAL A 24 -32.863 -28.530 6.004 1.00 34.12 C ATOM 359 CG2 VAL A 24 -30.355 -28.024 5.842 1.00 72.54 C ATOM 0 H VAL A 24 -33.985 -26.207 7.328 1.00 25.52 H new ATOM 0 HA VAL A 24 -31.047 -25.754 7.113 1.00 34.35 H new ATOM 0 HB VAL A 24 -31.546 -28.125 7.629 1.00 4.54 H new ATOM 0 HG11 VAL A 24 -32.612 -29.589 5.944 1.00 34.12 H new ATOM 0 HG12 VAL A 24 -33.743 -28.401 6.634 1.00 34.12 H new ATOM 0 HG13 VAL A 24 -33.073 -28.150 5.004 1.00 34.12 H new ATOM 0 HG21 VAL A 24 -30.186 -29.099 5.779 1.00 72.54 H new ATOM 0 HG22 VAL A 24 -30.428 -27.608 4.837 1.00 72.54 H new ATOM 0 HG23 VAL A 24 -29.523 -27.556 6.368 1.00 72.54 H new ATOM 369 N CYS A 25 -31.320 -24.836 4.802 1.00 13.40 N ATOM 370 CA CYS A 25 -31.482 -24.136 3.520 1.00 1.54 C ATOM 371 C CYS A 25 -30.098 -23.798 2.933 1.00 34.42 C ATOM 372 O CYS A 25 -29.647 -22.644 2.952 1.00 33.51 O ATOM 373 CB CYS A 25 -32.359 -22.865 3.700 1.00 4.43 C ATOM 374 SG CYS A 25 -32.709 -21.956 2.179 1.00 43.53 S ATOM 0 H CYS A 25 -30.400 -24.712 5.224 1.00 13.40 H new ATOM 0 HA CYS A 25 -31.998 -24.787 2.815 1.00 1.54 H new ATOM 0 HB2 CYS A 25 -33.305 -23.156 4.157 1.00 4.43 H new ATOM 0 HB3 CYS A 25 -31.860 -22.194 4.400 1.00 4.43 H new ATOM 0 HG CYS A 25 -33.447 -20.921 2.452 1.00 43.53 H new ATOM 380 N ILE A 26 -29.393 -24.848 2.474 1.00 31.13 N ATOM 381 CA ILE A 26 -28.082 -24.722 1.810 1.00 5.51 C ATOM 382 C ILE A 26 -28.277 -24.927 0.294 1.00 43.13 C ATOM 383 O ILE A 26 -28.891 -25.916 -0.125 1.00 43.44 O ATOM 384 CB ILE A 26 -27.007 -25.754 2.376 1.00 65.13 C ATOM 385 CG1 ILE A 26 -26.567 -25.412 3.849 1.00 13.23 C ATOM 386 CG2 ILE A 26 -25.754 -25.834 1.461 1.00 51.22 C ATOM 387 CD1 ILE A 26 -27.620 -25.616 4.931 1.00 64.12 C ATOM 0 H ILE A 26 -29.718 -25.812 2.553 1.00 31.13 H new ATOM 0 HA ILE A 26 -27.690 -23.726 2.015 1.00 5.51 H new ATOM 0 HB ILE A 26 -27.499 -26.726 2.386 1.00 65.13 H new ATOM 0 HG12 ILE A 26 -25.698 -26.022 4.097 1.00 13.23 H new ATOM 0 HG13 ILE A 26 -26.244 -24.371 3.877 1.00 13.23 H new ATOM 0 HG21 ILE A 26 -25.043 -26.547 1.879 1.00 51.22 H new ATOM 0 HG22 ILE A 26 -26.052 -26.160 0.464 1.00 51.22 H new ATOM 0 HG23 ILE A 26 -25.287 -24.851 1.397 1.00 51.22 H new ATOM 0 HD11 ILE A 26 -27.201 -25.348 5.901 1.00 64.12 H new ATOM 0 HD12 ILE A 26 -28.484 -24.985 4.722 1.00 64.12 H new ATOM 0 HD13 ILE A 26 -27.929 -26.661 4.945 1.00 64.12 H new ATOM 399 N GLY A 27 -27.773 -23.976 -0.510 1.00 45.14 N ATOM 400 CA GLY A 27 -27.796 -24.083 -1.966 1.00 2.23 C ATOM 401 C GLY A 27 -27.064 -22.917 -2.640 1.00 53.22 C ATOM 402 O GLY A 27 -27.704 -22.107 -3.325 1.00 23.20 O ATOM 0 H GLY A 27 -27.342 -23.118 -0.165 1.00 45.14 H new ATOM 0 HA2 GLY A 27 -27.335 -25.023 -2.268 1.00 2.23 H new ATOM 0 HA3 GLY A 27 -28.830 -24.110 -2.311 1.00 2.23 H new ATOM 406 N PRO A 28 -25.703 -22.781 -2.456 1.00 61.11 N ATOM 407 CA PRO A 28 -24.899 -21.718 -3.129 1.00 13.54 C ATOM 408 C PRO A 28 -24.785 -21.934 -4.657 1.00 13.22 C ATOM 409 O PRO A 28 -25.236 -22.956 -5.185 1.00 75.44 O ATOM 410 CB PRO A 28 -23.517 -21.832 -2.431 1.00 14.02 C ATOM 411 CG PRO A 28 -23.442 -23.251 -1.960 1.00 54.21 C ATOM 412 CD PRO A 28 -24.852 -23.628 -1.571 1.00 42.52 C ATOM 0 HA PRO A 28 -25.353 -20.731 -3.036 1.00 13.54 H new ATOM 0 HB2 PRO A 28 -22.705 -21.601 -3.121 1.00 14.02 H new ATOM 0 HB3 PRO A 28 -23.436 -21.134 -1.598 1.00 14.02 H new ATOM 0 HG2 PRO A 28 -23.065 -23.905 -2.746 1.00 54.21 H new ATOM 0 HG3 PRO A 28 -22.763 -23.347 -1.113 1.00 54.21 H new ATOM 0 HD2 PRO A 28 -25.041 -24.690 -1.731 1.00 42.52 H new ATOM 0 HD3 PRO A 28 -25.044 -23.425 -0.517 1.00 42.52 H new ATOM 420 N ASN A 29 -24.148 -20.984 -5.364 1.00 13.42 N ATOM 421 CA ASN A 29 -24.034 -21.019 -6.847 1.00 61.22 C ATOM 422 C ASN A 29 -22.827 -21.881 -7.322 1.00 53.52 C ATOM 423 O ASN A 29 -22.214 -21.590 -8.359 1.00 63.44 O ATOM 424 CB ASN A 29 -23.949 -19.574 -7.425 1.00 0.11 C ATOM 425 CG ASN A 29 -22.717 -18.782 -6.956 1.00 4.24 C ATOM 426 OD1 ASN A 29 -22.276 -18.904 -5.813 1.00 23.33 O ATOM 427 ND2 ASN A 29 -22.131 -17.979 -7.839 1.00 24.13 N ATOM 0 H ASN A 29 -23.699 -20.174 -4.936 1.00 13.42 H new ATOM 0 HA ASN A 29 -24.936 -21.495 -7.232 1.00 61.22 H new ATOM 0 HB2 ASN A 29 -23.939 -19.630 -8.514 1.00 0.11 H new ATOM 0 HB3 ASN A 29 -24.849 -19.027 -7.142 1.00 0.11 H new ATOM 0 HD21 ASN A 29 -21.300 -17.450 -7.574 1.00 24.13 H new ATOM 0 HD22 ASN A 29 -22.512 -17.892 -8.781 1.00 24.13 H new ATOM 434 N VAL A 30 -22.563 -22.995 -6.594 1.00 30.11 N ATOM 435 CA VAL A 30 -21.438 -23.917 -6.868 1.00 52.02 C ATOM 436 C VAL A 30 -21.486 -24.496 -8.298 1.00 73.02 C ATOM 437 O VAL A 30 -20.439 -24.781 -8.876 1.00 20.23 O ATOM 438 CB VAL A 30 -21.384 -25.096 -5.824 1.00 41.34 C ATOM 439 CG1 VAL A 30 -21.036 -24.569 -4.416 1.00 71.22 C ATOM 440 CG2 VAL A 30 -22.708 -25.904 -5.811 1.00 44.15 C ATOM 0 H VAL A 30 -23.130 -23.278 -5.795 1.00 30.11 H new ATOM 0 HA VAL A 30 -20.532 -23.318 -6.774 1.00 52.02 H new ATOM 0 HB VAL A 30 -20.591 -25.777 -6.133 1.00 41.34 H new ATOM 0 HG11 VAL A 30 -21.005 -25.402 -3.713 1.00 71.22 H new ATOM 0 HG12 VAL A 30 -20.063 -24.079 -4.441 1.00 71.22 H new ATOM 0 HG13 VAL A 30 -21.794 -23.854 -4.098 1.00 71.22 H new ATOM 0 HG21 VAL A 30 -22.636 -26.709 -5.080 1.00 44.15 H new ATOM 0 HG22 VAL A 30 -23.534 -25.245 -5.544 1.00 44.15 H new ATOM 0 HG23 VAL A 30 -22.886 -26.327 -6.800 1.00 44.15 H new ATOM 450 N LEU A 31 -22.707 -24.641 -8.851 1.00 54.23 N ATOM 451 CA LEU A 31 -22.917 -25.143 -10.220 1.00 42.11 C ATOM 452 C LEU A 31 -22.286 -24.190 -11.248 1.00 14.31 C ATOM 453 O LEU A 31 -21.501 -24.620 -12.083 1.00 44.12 O ATOM 454 CB LEU A 31 -24.433 -25.296 -10.509 1.00 41.24 C ATOM 455 CG LEU A 31 -24.820 -25.745 -11.962 1.00 45.44 C ATOM 456 CD1 LEU A 31 -24.318 -27.173 -12.276 1.00 45.31 C ATOM 457 CD2 LEU A 31 -26.339 -25.603 -12.204 1.00 31.45 C ATOM 0 H LEU A 31 -23.572 -24.413 -8.361 1.00 54.23 H new ATOM 0 HA LEU A 31 -22.437 -26.118 -10.304 1.00 42.11 H new ATOM 0 HB2 LEU A 31 -24.844 -26.020 -9.806 1.00 41.24 H new ATOM 0 HB3 LEU A 31 -24.919 -24.342 -10.305 1.00 41.24 H new ATOM 0 HG LEU A 31 -24.314 -25.075 -12.657 1.00 45.44 H new ATOM 0 HD11 LEU A 31 -24.607 -27.445 -13.291 1.00 45.31 H new ATOM 0 HD12 LEU A 31 -23.232 -27.205 -12.187 1.00 45.31 H new ATOM 0 HD13 LEU A 31 -24.761 -27.877 -11.572 1.00 45.31 H new ATOM 0 HD21 LEU A 31 -26.577 -25.921 -13.219 1.00 31.45 H new ATOM 0 HD22 LEU A 31 -26.881 -26.226 -11.492 1.00 31.45 H new ATOM 0 HD23 LEU A 31 -26.633 -24.562 -12.072 1.00 31.45 H new ATOM 469 N MET A 32 -22.625 -22.891 -11.127 1.00 22.35 N ATOM 470 CA MET A 32 -22.188 -21.834 -12.063 1.00 33.23 C ATOM 471 C MET A 32 -20.658 -21.665 -12.050 1.00 21.13 C ATOM 472 O MET A 32 -20.025 -21.537 -13.102 1.00 73.41 O ATOM 473 CB MET A 32 -22.881 -20.493 -11.694 1.00 32.42 C ATOM 474 CG MET A 32 -22.459 -19.288 -12.547 1.00 12.40 C ATOM 475 SD MET A 32 -23.276 -17.770 -12.027 1.00 21.43 S ATOM 476 CE MET A 32 -22.541 -16.561 -13.120 1.00 64.20 C ATOM 0 H MET A 32 -23.214 -22.542 -10.371 1.00 22.35 H new ATOM 0 HA MET A 32 -22.477 -22.129 -13.072 1.00 33.23 H new ATOM 0 HB2 MET A 32 -23.960 -20.622 -11.783 1.00 32.42 H new ATOM 0 HB3 MET A 32 -22.672 -20.269 -10.648 1.00 32.42 H new ATOM 0 HG2 MET A 32 -21.379 -19.158 -12.481 1.00 12.40 H new ATOM 0 HG3 MET A 32 -22.693 -19.485 -13.593 1.00 12.40 H new ATOM 0 HE1 MET A 32 -22.957 -15.577 -12.906 1.00 64.20 H new ATOM 0 HE2 MET A 32 -21.462 -16.540 -12.966 1.00 64.20 H new ATOM 0 HE3 MET A 32 -22.755 -16.828 -14.155 1.00 64.20 H new ATOM 486 N VAL A 33 -20.084 -21.698 -10.839 1.00 4.33 N ATOM 487 CA VAL A 33 -18.643 -21.491 -10.625 1.00 63.24 C ATOM 488 C VAL A 33 -17.837 -22.706 -11.133 1.00 62.35 C ATOM 489 O VAL A 33 -16.789 -22.542 -11.772 1.00 13.54 O ATOM 490 CB VAL A 33 -18.343 -21.225 -9.105 1.00 61.23 C ATOM 491 CG1 VAL A 33 -16.849 -20.908 -8.855 1.00 71.22 C ATOM 492 CG2 VAL A 33 -19.244 -20.099 -8.549 1.00 22.21 C ATOM 0 H VAL A 33 -20.605 -21.869 -9.979 1.00 4.33 H new ATOM 0 HA VAL A 33 -18.335 -20.614 -11.194 1.00 63.24 H new ATOM 0 HB VAL A 33 -18.574 -22.145 -8.568 1.00 61.23 H new ATOM 0 HG11 VAL A 33 -16.688 -20.731 -7.792 1.00 71.22 H new ATOM 0 HG12 VAL A 33 -16.239 -21.751 -9.179 1.00 71.22 H new ATOM 0 HG13 VAL A 33 -16.567 -20.018 -9.418 1.00 71.22 H new ATOM 0 HG21 VAL A 33 -19.015 -19.936 -7.496 1.00 22.21 H new ATOM 0 HG22 VAL A 33 -19.063 -19.180 -9.106 1.00 22.21 H new ATOM 0 HG23 VAL A 33 -20.290 -20.386 -8.653 1.00 22.21 H new ATOM 502 N HIS A 34 -18.364 -23.922 -10.876 1.00 11.44 N ATOM 503 CA HIS A 34 -17.729 -25.188 -11.313 1.00 21.15 C ATOM 504 C HIS A 34 -17.883 -25.381 -12.838 1.00 43.02 C ATOM 505 O HIS A 34 -17.050 -26.025 -13.478 1.00 42.43 O ATOM 506 CB HIS A 34 -18.347 -26.386 -10.547 1.00 25.22 C ATOM 507 CG HIS A 34 -17.694 -27.720 -10.827 1.00 41.03 C ATOM 508 ND1 HIS A 34 -18.194 -28.627 -11.731 1.00 61.20 N ATOM 509 CD2 HIS A 34 -16.579 -28.295 -10.314 1.00 34.43 C ATOM 510 CE1 HIS A 34 -17.418 -29.689 -11.765 1.00 10.15 C ATOM 511 NE2 HIS A 34 -16.435 -29.510 -10.917 1.00 33.40 N ATOM 0 H HIS A 34 -19.236 -24.056 -10.363 1.00 11.44 H new ATOM 0 HA HIS A 34 -16.664 -25.138 -11.085 1.00 21.15 H new ATOM 0 HB2 HIS A 34 -18.287 -26.185 -9.477 1.00 25.22 H new ATOM 0 HB3 HIS A 34 -19.405 -26.455 -10.800 1.00 25.22 H new ATOM 0 HD2 HIS A 34 -15.926 -27.870 -9.566 1.00 34.43 H new ATOM 0 HE1 HIS A 34 -17.566 -30.560 -12.386 1.00 10.15 H new ATOM 0 HE2 HIS A 34 -15.682 -30.174 -10.737 1.00 33.40 H new ATOM 520 N LYS A 35 -18.965 -24.806 -13.395 1.00 72.41 N ATOM 521 CA LYS A 35 -19.246 -24.804 -14.847 1.00 4.54 C ATOM 522 C LYS A 35 -18.216 -23.927 -15.575 1.00 41.45 C ATOM 523 O LYS A 35 -17.677 -24.324 -16.607 1.00 25.43 O ATOM 524 CB LYS A 35 -20.720 -24.332 -15.100 1.00 41.41 C ATOM 525 CG LYS A 35 -21.172 -24.159 -16.586 1.00 3.33 C ATOM 526 CD LYS A 35 -20.882 -22.744 -17.153 1.00 12.50 C ATOM 527 CE LYS A 35 -21.357 -22.567 -18.600 1.00 13.25 C ATOM 528 NZ LYS A 35 -20.978 -21.233 -19.139 1.00 24.11 N ATOM 0 H LYS A 35 -19.677 -24.324 -12.846 1.00 72.41 H new ATOM 0 HA LYS A 35 -19.154 -25.813 -15.249 1.00 4.54 H new ATOM 0 HB2 LYS A 35 -21.390 -25.049 -14.625 1.00 41.41 H new ATOM 0 HB3 LYS A 35 -20.861 -23.378 -14.591 1.00 41.41 H new ATOM 0 HG2 LYS A 35 -20.664 -24.901 -17.202 1.00 3.33 H new ATOM 0 HG3 LYS A 35 -22.241 -24.361 -16.660 1.00 3.33 H new ATOM 0 HD2 LYS A 35 -21.370 -22.000 -16.523 1.00 12.50 H new ATOM 0 HD3 LYS A 35 -19.810 -22.551 -17.103 1.00 12.50 H new ATOM 0 HE2 LYS A 35 -20.925 -23.349 -19.224 1.00 13.25 H new ATOM 0 HE3 LYS A 35 -22.440 -22.685 -18.646 1.00 13.25 H new ATOM 0 HZ1 LYS A 35 -21.314 -21.146 -20.119 1.00 24.11 H new ATOM 0 HZ2 LYS A 35 -21.411 -20.488 -18.557 1.00 24.11 H new ATOM 0 HZ3 LYS A 35 -19.943 -21.131 -19.118 1.00 24.11 H new ATOM 542 N ARG A 36 -17.952 -22.737 -15.007 1.00 73.42 N ATOM 543 CA ARG A 36 -16.937 -21.803 -15.525 1.00 40.44 C ATOM 544 C ARG A 36 -15.513 -22.377 -15.348 1.00 72.42 C ATOM 545 O ARG A 36 -14.610 -22.123 -16.156 1.00 43.33 O ATOM 546 CB ARG A 36 -17.052 -20.430 -14.812 1.00 51.30 C ATOM 547 CG ARG A 36 -16.033 -19.387 -15.315 1.00 53.05 C ATOM 548 CD ARG A 36 -16.087 -18.055 -14.559 1.00 53.43 C ATOM 549 NE ARG A 36 -15.040 -17.131 -15.043 1.00 13.52 N ATOM 550 CZ ARG A 36 -15.182 -15.810 -15.213 1.00 0.03 C ATOM 551 NH1 ARG A 36 -16.344 -15.202 -14.955 1.00 11.31 N ATOM 552 NH2 ARG A 36 -14.154 -15.102 -15.663 1.00 3.12 N ATOM 0 H ARG A 36 -18.436 -22.396 -14.176 1.00 73.42 H new ATOM 0 HA ARG A 36 -17.119 -21.665 -16.591 1.00 40.44 H new ATOM 0 HB2 ARG A 36 -18.060 -20.039 -14.954 1.00 51.30 H new ATOM 0 HB3 ARG A 36 -16.914 -20.574 -13.740 1.00 51.30 H new ATOM 0 HG2 ARG A 36 -15.029 -19.803 -15.229 1.00 53.05 H new ATOM 0 HG3 ARG A 36 -16.211 -19.200 -16.374 1.00 53.05 H new ATOM 0 HD2 ARG A 36 -17.068 -17.599 -14.688 1.00 53.43 H new ATOM 0 HD3 ARG A 36 -15.956 -18.233 -13.492 1.00 53.43 H new ATOM 0 HE ARG A 36 -14.130 -17.534 -15.267 1.00 13.52 H new ATOM 0 HH11 ARG A 36 -17.141 -15.745 -14.623 1.00 11.31 H new ATOM 0 HH12 ARG A 36 -16.434 -14.195 -15.090 1.00 11.31 H new ATOM 0 HH21 ARG A 36 -13.270 -15.565 -15.875 1.00 3.12 H new ATOM 0 HH22 ARG A 36 -14.248 -14.095 -15.797 1.00 3.12 H new ATOM 566 N SER A 37 -15.335 -23.156 -14.276 1.00 73.25 N ATOM 567 CA SER A 37 -14.078 -23.861 -13.998 1.00 33.42 C ATOM 568 C SER A 37 -13.886 -25.029 -14.986 1.00 61.44 C ATOM 569 O SER A 37 -12.752 -25.422 -15.279 1.00 2.21 O ATOM 570 CB SER A 37 -14.070 -24.350 -12.534 1.00 62.24 C ATOM 571 OG SER A 37 -12.870 -25.029 -12.204 1.00 22.33 O ATOM 0 H SER A 37 -16.059 -23.316 -13.575 1.00 73.25 H new ATOM 0 HA SER A 37 -13.241 -23.177 -14.134 1.00 33.42 H new ATOM 0 HB2 SER A 37 -14.199 -23.498 -11.867 1.00 62.24 H new ATOM 0 HB3 SER A 37 -14.919 -25.014 -12.370 1.00 62.24 H new ATOM 0 HG SER A 37 -12.905 -25.320 -11.269 1.00 22.33 H new ATOM 577 N HIS A 38 -15.004 -25.575 -15.499 1.00 5.03 N ATOM 578 CA HIS A 38 -14.986 -26.628 -16.530 1.00 33.45 C ATOM 579 C HIS A 38 -14.612 -26.030 -17.892 1.00 31.03 C ATOM 580 O HIS A 38 -13.885 -26.658 -18.668 1.00 51.34 O ATOM 581 CB HIS A 38 -16.360 -27.339 -16.620 1.00 41.14 C ATOM 582 CG HIS A 38 -16.421 -28.399 -17.696 1.00 51.43 C ATOM 583 ND1 HIS A 38 -17.015 -28.199 -18.926 1.00 34.24 N ATOM 584 CD2 HIS A 38 -15.913 -29.652 -17.736 1.00 21.14 C ATOM 585 CE1 HIS A 38 -16.864 -29.276 -19.669 1.00 12.51 C ATOM 586 NE2 HIS A 38 -16.198 -30.173 -18.970 1.00 22.42 N ATOM 0 H HIS A 38 -15.943 -25.299 -15.211 1.00 5.03 H new ATOM 0 HA HIS A 38 -14.236 -27.367 -16.248 1.00 33.45 H new ATOM 0 HB2 HIS A 38 -16.587 -27.796 -15.657 1.00 41.14 H new ATOM 0 HB3 HIS A 38 -17.134 -26.595 -16.810 1.00 41.14 H new ATOM 0 HD2 HIS A 38 -15.380 -30.151 -16.940 1.00 21.14 H new ATOM 0 HE1 HIS A 38 -17.225 -29.402 -20.679 1.00 12.51 H new ATOM 0 HE2 HIS A 38 -15.937 -31.104 -19.295 1.00 22.42 H new ATOM 595 N THR A 39 -15.138 -24.822 -18.186 1.00 43.41 N ATOM 596 CA THR A 39 -14.843 -24.129 -19.445 1.00 11.43 C ATOM 597 C THR A 39 -13.374 -23.665 -19.447 1.00 40.11 C ATOM 598 O THR A 39 -13.019 -22.694 -18.768 1.00 4.54 O ATOM 599 CB THR A 39 -15.830 -22.925 -19.708 1.00 5.13 C ATOM 600 OG1 THR A 39 -15.759 -21.945 -18.663 1.00 31.42 O ATOM 601 CG2 THR A 39 -17.293 -23.392 -19.830 1.00 53.43 C ATOM 0 H THR A 39 -15.767 -24.312 -17.566 1.00 43.41 H new ATOM 0 HA THR A 39 -14.994 -24.831 -20.265 1.00 11.43 H new ATOM 0 HB THR A 39 -15.512 -22.483 -20.652 1.00 5.13 H new ATOM 0 HG1 THR A 39 -15.270 -22.316 -17.899 1.00 31.42 H new ATOM 0 HG21 THR A 39 -17.936 -22.531 -20.010 1.00 53.43 H new ATOM 0 HG22 THR A 39 -17.383 -24.093 -20.660 1.00 53.43 H new ATOM 0 HG23 THR A 39 -17.596 -23.884 -18.906 1.00 53.43 H new ATOM 609 N GLY A 40 -12.514 -24.414 -20.166 1.00 25.21 N ATOM 610 CA GLY A 40 -11.075 -24.133 -20.236 1.00 73.14 C ATOM 611 C GLY A 40 -10.749 -22.994 -21.199 1.00 53.12 C ATOM 612 O GLY A 40 -10.099 -23.197 -22.230 1.00 11.23 O ATOM 0 H GLY A 40 -12.801 -25.227 -20.711 1.00 25.21 H new ATOM 0 HA2 GLY A 40 -10.709 -23.880 -19.241 1.00 73.14 H new ATOM 0 HA3 GLY A 40 -10.547 -25.033 -20.551 1.00 73.14 H new ATOM 616 N GLU A 41 -11.246 -21.799 -20.868 1.00 70.20 N ATOM 617 CA GLU A 41 -10.991 -20.573 -21.623 1.00 40.52 C ATOM 618 C GLU A 41 -9.751 -19.899 -21.018 1.00 41.14 C ATOM 619 O GLU A 41 -9.832 -19.287 -19.945 1.00 11.43 O ATOM 620 CB GLU A 41 -12.238 -19.649 -21.540 1.00 53.31 C ATOM 621 CG GLU A 41 -12.137 -18.329 -22.336 1.00 11.25 C ATOM 622 CD GLU A 41 -13.377 -17.433 -22.159 1.00 22.42 C ATOM 623 OE1 GLU A 41 -14.345 -17.561 -22.943 1.00 60.34 O ATOM 624 OE2 GLU A 41 -13.388 -16.598 -21.228 1.00 35.15 O ATOM 0 H GLU A 41 -11.846 -21.656 -20.055 1.00 70.20 H new ATOM 0 HA GLU A 41 -10.806 -20.786 -22.676 1.00 40.52 H new ATOM 0 HB2 GLU A 41 -13.105 -20.204 -21.898 1.00 53.31 H new ATOM 0 HB3 GLU A 41 -12.423 -19.409 -20.493 1.00 53.31 H new ATOM 0 HG2 GLU A 41 -11.250 -17.783 -22.015 1.00 11.25 H new ATOM 0 HG3 GLU A 41 -12.006 -18.556 -23.394 1.00 11.25 H new ATOM 631 N ARG A 42 -8.595 -20.114 -21.661 1.00 1.22 N ATOM 632 CA ARG A 42 -7.324 -19.502 -21.247 1.00 14.41 C ATOM 633 C ARG A 42 -7.342 -18.004 -21.625 1.00 11.15 C ATOM 634 O ARG A 42 -7.367 -17.681 -22.819 1.00 0.54 O ATOM 635 CB ARG A 42 -6.137 -20.246 -21.920 1.00 62.33 C ATOM 636 CG ARG A 42 -5.954 -21.709 -21.444 1.00 34.32 C ATOM 637 CD ARG A 42 -4.946 -22.487 -22.309 1.00 74.11 C ATOM 638 NE ARG A 42 -5.432 -22.691 -23.684 1.00 75.24 N ATOM 639 CZ ARG A 42 -4.997 -23.634 -24.537 1.00 71.01 C ATOM 640 NH1 ARG A 42 -4.033 -24.493 -24.196 1.00 50.32 N ATOM 641 NH2 ARG A 42 -5.557 -23.724 -25.731 1.00 13.11 N ATOM 0 H ARG A 42 -8.514 -20.715 -22.481 1.00 1.22 H new ATOM 0 HA ARG A 42 -7.197 -19.586 -20.168 1.00 14.41 H new ATOM 0 HB2 ARG A 42 -6.286 -20.243 -23.000 1.00 62.33 H new ATOM 0 HB3 ARG A 42 -5.218 -19.694 -21.723 1.00 62.33 H new ATOM 0 HG2 ARG A 42 -5.617 -21.711 -20.408 1.00 34.32 H new ATOM 0 HG3 ARG A 42 -6.917 -22.219 -21.467 1.00 34.32 H new ATOM 0 HD2 ARG A 42 -4.000 -21.946 -22.337 1.00 74.11 H new ATOM 0 HD3 ARG A 42 -4.746 -23.455 -21.849 1.00 74.11 H new ATOM 0 HE ARG A 42 -6.162 -22.062 -24.018 1.00 75.24 H new ATOM 0 HH11 ARG A 42 -3.609 -24.442 -23.270 1.00 50.32 H new ATOM 0 HH12 ARG A 42 -3.721 -25.200 -24.862 1.00 50.32 H new ATOM 0 HH21 ARG A 42 -6.307 -23.084 -25.992 1.00 13.11 H new ATOM 0 HH22 ARG A 42 -5.239 -24.434 -26.391 1.00 13.11 H new ATOM 655 N PRO A 43 -7.382 -17.067 -20.615 1.00 42.34 N ATOM 656 CA PRO A 43 -7.467 -15.605 -20.869 1.00 63.14 C ATOM 657 C PRO A 43 -6.329 -15.074 -21.757 1.00 53.34 C ATOM 658 O PRO A 43 -5.239 -15.666 -21.814 1.00 12.21 O ATOM 659 CB PRO A 43 -7.406 -14.986 -19.448 1.00 2.54 C ATOM 660 CG PRO A 43 -7.897 -16.071 -18.546 1.00 62.20 C ATOM 661 CD PRO A 43 -7.368 -17.351 -19.151 1.00 63.21 C ATOM 0 HA PRO A 43 -8.371 -15.346 -21.420 1.00 63.14 H new ATOM 0 HB2 PRO A 43 -6.391 -14.684 -19.190 1.00 2.54 H new ATOM 0 HB3 PRO A 43 -8.031 -14.096 -19.375 1.00 2.54 H new ATOM 0 HG2 PRO A 43 -7.531 -15.934 -17.528 1.00 62.20 H new ATOM 0 HG3 PRO A 43 -8.986 -16.079 -18.495 1.00 62.20 H new ATOM 0 HD2 PRO A 43 -6.364 -17.580 -18.795 1.00 63.21 H new ATOM 0 HD3 PRO A 43 -7.997 -18.205 -18.900 1.00 63.21 H new ATOM 669 N PHE A 44 -6.603 -13.964 -22.440 1.00 4.51 N ATOM 670 CA PHE A 44 -5.646 -13.321 -23.336 1.00 20.43 C ATOM 671 C PHE A 44 -4.533 -12.654 -22.516 1.00 4.30 C ATOM 672 O PHE A 44 -4.727 -11.579 -21.987 1.00 33.02 O ATOM 673 CB PHE A 44 -6.378 -12.295 -24.248 1.00 51.50 C ATOM 674 CG PHE A 44 -7.444 -12.919 -25.147 1.00 62.21 C ATOM 675 CD1 PHE A 44 -7.078 -13.657 -26.279 1.00 11.44 C ATOM 676 CD2 PHE A 44 -8.804 -12.808 -24.848 1.00 33.22 C ATOM 677 CE1 PHE A 44 -8.038 -14.229 -27.094 1.00 12.43 C ATOM 678 CE2 PHE A 44 -9.760 -13.382 -25.665 1.00 4.32 C ATOM 679 CZ PHE A 44 -9.378 -14.106 -26.780 1.00 33.21 C ATOM 0 H PHE A 44 -7.501 -13.483 -22.386 1.00 4.51 H new ATOM 0 HA PHE A 44 -5.186 -14.071 -23.980 1.00 20.43 H new ATOM 0 HB2 PHE A 44 -6.844 -11.534 -23.622 1.00 51.50 H new ATOM 0 HB3 PHE A 44 -5.642 -11.787 -24.872 1.00 51.50 H new ATOM 0 HD1 PHE A 44 -6.032 -13.781 -26.519 1.00 11.44 H new ATOM 0 HD2 PHE A 44 -9.113 -12.266 -23.966 1.00 33.22 H new ATOM 0 HE1 PHE A 44 -7.740 -14.773 -27.978 1.00 12.43 H new ATOM 0 HE2 PHE A 44 -10.808 -13.265 -25.432 1.00 4.32 H new ATOM 0 HZ PHE A 44 -10.125 -14.574 -27.404 1.00 33.21 H new ATOM 689 N HIS A 45 -3.396 -13.352 -22.355 1.00 44.32 N ATOM 690 CA HIS A 45 -2.220 -12.834 -21.619 1.00 43.01 C ATOM 691 C HIS A 45 -0.921 -13.281 -22.300 1.00 54.52 C ATOM 692 O HIS A 45 -0.843 -14.403 -22.822 1.00 24.15 O ATOM 693 CB HIS A 45 -2.261 -13.283 -20.128 1.00 63.20 C ATOM 694 CG HIS A 45 -2.442 -14.772 -19.896 1.00 40.13 C ATOM 695 ND1 HIS A 45 -3.603 -15.315 -19.372 1.00 42.14 N ATOM 696 CD2 HIS A 45 -1.608 -15.829 -20.090 1.00 54.33 C ATOM 697 CE1 HIS A 45 -3.472 -16.624 -19.260 1.00 3.31 C ATOM 698 NE2 HIS A 45 -2.276 -16.956 -19.689 1.00 22.21 N ATOM 0 H HIS A 45 -3.262 -14.291 -22.730 1.00 44.32 H new ATOM 0 HA HIS A 45 -2.251 -11.745 -21.638 1.00 43.01 H new ATOM 0 HB2 HIS A 45 -1.335 -12.969 -19.647 1.00 63.20 H new ATOM 0 HB3 HIS A 45 -3.074 -12.754 -19.630 1.00 63.20 H new ATOM 0 HD2 HIS A 45 -0.604 -15.787 -20.487 1.00 54.33 H new ATOM 0 HE1 HIS A 45 -4.220 -17.305 -18.881 1.00 3.31 H new ATOM 0 HE2 HIS A 45 -1.903 -17.905 -19.719 1.00 22.21 H new ATOM 707 N CYS A 46 0.085 -12.396 -22.313 1.00 4.13 N ATOM 708 CA CYS A 46 1.418 -12.720 -22.824 1.00 41.31 C ATOM 709 C CYS A 46 2.255 -13.301 -21.681 1.00 55.11 C ATOM 710 O CYS A 46 2.953 -12.576 -20.963 1.00 53.21 O ATOM 711 CB CYS A 46 2.091 -11.477 -23.440 1.00 30.21 C ATOM 712 SG CYS A 46 3.693 -11.812 -24.242 1.00 50.20 S ATOM 0 H CYS A 46 -0.005 -11.439 -21.970 1.00 4.13 H new ATOM 0 HA CYS A 46 1.335 -13.461 -23.619 1.00 41.31 H new ATOM 0 HB2 CYS A 46 1.415 -11.038 -24.174 1.00 30.21 H new ATOM 0 HB3 CYS A 46 2.238 -10.733 -22.658 1.00 30.21 H new ATOM 0 HG CYS A 46 4.657 -11.573 -23.403 1.00 50.20 H new ATOM 717 N ASN A 47 2.113 -14.620 -21.486 1.00 25.31 N ATOM 718 CA ASN A 47 2.874 -15.386 -20.478 1.00 4.41 C ATOM 719 C ASN A 47 4.376 -15.433 -20.837 1.00 15.11 C ATOM 720 O ASN A 47 5.224 -15.637 -19.964 1.00 12.05 O ATOM 721 CB ASN A 47 2.296 -16.817 -20.359 1.00 70.11 C ATOM 722 CG ASN A 47 2.398 -17.618 -21.663 1.00 65.53 C ATOM 723 OD1 ASN A 47 1.528 -17.527 -22.532 1.00 23.13 O ATOM 724 ND2 ASN A 47 3.466 -18.392 -21.821 1.00 61.51 N ATOM 0 H ASN A 47 1.463 -15.193 -22.025 1.00 25.31 H new ATOM 0 HA ASN A 47 2.778 -14.885 -19.515 1.00 4.41 H new ATOM 0 HB2 ASN A 47 2.824 -17.351 -19.569 1.00 70.11 H new ATOM 0 HB3 ASN A 47 1.250 -16.756 -20.058 1.00 70.11 H new ATOM 0 HD21 ASN A 47 3.583 -18.931 -22.679 1.00 61.51 H new ATOM 0 HD22 ASN A 47 4.169 -18.447 -21.084 1.00 61.51 H new ATOM 731 N GLN A 48 4.673 -15.230 -22.139 1.00 24.23 N ATOM 732 CA GLN A 48 6.050 -15.166 -22.674 1.00 61.32 C ATOM 733 C GLN A 48 6.825 -13.950 -22.115 1.00 52.02 C ATOM 734 O GLN A 48 8.053 -13.974 -22.034 1.00 22.30 O ATOM 735 CB GLN A 48 6.014 -15.093 -24.224 1.00 3.12 C ATOM 736 CG GLN A 48 5.244 -16.246 -24.907 1.00 63.00 C ATOM 737 CD GLN A 48 5.252 -16.172 -26.447 1.00 70.42 C ATOM 738 OE1 GLN A 48 6.206 -15.680 -27.054 1.00 13.05 O ATOM 739 NE2 GLN A 48 4.194 -16.651 -27.092 1.00 71.43 N ATOM 0 H GLN A 48 3.957 -15.105 -22.854 1.00 24.23 H new ATOM 0 HA GLN A 48 6.569 -16.071 -22.359 1.00 61.32 H new ATOM 0 HB2 GLN A 48 5.561 -14.147 -24.519 1.00 3.12 H new ATOM 0 HB3 GLN A 48 7.038 -15.086 -24.598 1.00 3.12 H new ATOM 0 HG2 GLN A 48 5.679 -17.196 -24.596 1.00 63.00 H new ATOM 0 HG3 GLN A 48 4.212 -16.239 -24.557 1.00 63.00 H new ATOM 0 HE21 GLN A 48 3.417 -17.053 -26.568 1.00 71.43 H new ATOM 0 HE22 GLN A 48 4.159 -16.616 -28.111 1.00 71.43 H new ATOM 748 N CYS A 49 6.090 -12.890 -21.754 1.00 52.33 N ATOM 749 CA CYS A 49 6.657 -11.657 -21.175 1.00 62.14 C ATOM 750 C CYS A 49 6.347 -11.551 -19.674 1.00 14.34 C ATOM 751 O CYS A 49 7.075 -10.896 -18.925 1.00 35.24 O ATOM 752 CB CYS A 49 6.053 -10.447 -21.913 1.00 32.14 C ATOM 753 SG CYS A 49 6.328 -10.492 -23.696 1.00 41.54 S ATOM 0 H CYS A 49 5.075 -12.860 -21.855 1.00 52.33 H new ATOM 0 HA CYS A 49 7.741 -11.678 -21.292 1.00 62.14 H new ATOM 0 HB2 CYS A 49 4.981 -10.409 -21.718 1.00 32.14 H new ATOM 0 HB3 CYS A 49 6.484 -9.531 -21.508 1.00 32.14 H new ATOM 0 HG CYS A 49 5.192 -10.656 -24.306 1.00 41.54 H new ATOM 758 N GLY A 50 5.241 -12.186 -19.252 1.00 64.25 N ATOM 759 CA GLY A 50 4.668 -11.983 -17.918 1.00 55.42 C ATOM 760 C GLY A 50 3.628 -10.868 -17.917 1.00 63.51 C ATOM 761 O GLY A 50 3.027 -10.569 -16.877 1.00 15.42 O ATOM 0 H GLY A 50 4.723 -12.851 -19.826 1.00 64.25 H new ATOM 0 HA2 GLY A 50 4.209 -12.910 -17.574 1.00 55.42 H new ATOM 0 HA3 GLY A 50 5.463 -11.740 -17.213 1.00 55.42 H new ATOM 765 N ALA A 51 3.413 -10.249 -19.096 1.00 25.43 N ATOM 766 CA ALA A 51 2.454 -9.156 -19.274 1.00 43.23 C ATOM 767 C ALA A 51 1.020 -9.709 -19.366 1.00 44.24 C ATOM 768 O ALA A 51 0.616 -10.238 -20.410 1.00 23.42 O ATOM 769 CB ALA A 51 2.812 -8.326 -20.525 1.00 34.34 C ATOM 0 H ALA A 51 3.907 -10.500 -19.953 1.00 25.43 H new ATOM 0 HA ALA A 51 2.506 -8.498 -18.406 1.00 43.23 H new ATOM 0 HB1 ALA A 51 2.091 -7.518 -20.644 1.00 34.34 H new ATOM 0 HB2 ALA A 51 3.811 -7.906 -20.409 1.00 34.34 H new ATOM 0 HB3 ALA A 51 2.787 -8.967 -21.406 1.00 34.34 H new ATOM 775 N SER A 52 0.280 -9.632 -18.248 1.00 22.22 N ATOM 776 CA SER A 52 -1.113 -10.098 -18.195 1.00 70.45 C ATOM 777 C SER A 52 -2.029 -9.058 -18.852 1.00 73.40 C ATOM 778 O SER A 52 -1.983 -7.877 -18.509 1.00 11.23 O ATOM 779 CB SER A 52 -1.547 -10.361 -16.731 1.00 72.04 C ATOM 780 OG SER A 52 -2.906 -10.776 -16.657 1.00 74.42 O ATOM 0 H SER A 52 0.625 -9.250 -17.367 1.00 22.22 H new ATOM 0 HA SER A 52 -1.193 -11.037 -18.742 1.00 70.45 H new ATOM 0 HB2 SER A 52 -0.907 -11.127 -16.293 1.00 72.04 H new ATOM 0 HB3 SER A 52 -1.409 -9.455 -16.141 1.00 72.04 H new ATOM 0 HG SER A 52 -3.149 -10.936 -15.721 1.00 74.42 H new ATOM 786 N PHE A 53 -2.839 -9.509 -19.812 1.00 65.11 N ATOM 787 CA PHE A 53 -3.893 -8.696 -20.443 1.00 4.43 C ATOM 788 C PHE A 53 -5.251 -9.314 -20.061 1.00 13.13 C ATOM 789 O PHE A 53 -5.333 -10.113 -19.114 1.00 44.21 O ATOM 790 CB PHE A 53 -3.682 -8.662 -21.988 1.00 24.42 C ATOM 791 CG PHE A 53 -2.310 -8.166 -22.435 1.00 33.14 C ATOM 792 CD1 PHE A 53 -1.955 -6.822 -22.299 1.00 33.44 C ATOM 793 CD2 PHE A 53 -1.370 -9.039 -22.991 1.00 11.02 C ATOM 794 CE1 PHE A 53 -0.715 -6.371 -22.714 1.00 64.44 C ATOM 795 CE2 PHE A 53 -0.134 -8.581 -23.406 1.00 51.15 C ATOM 796 CZ PHE A 53 0.193 -7.249 -23.265 1.00 0.20 C ATOM 0 H PHE A 53 -2.785 -10.459 -20.181 1.00 65.11 H new ATOM 0 HA PHE A 53 -3.859 -7.664 -20.095 1.00 4.43 H new ATOM 0 HB2 PHE A 53 -3.837 -9.666 -22.384 1.00 24.42 H new ATOM 0 HB3 PHE A 53 -4.446 -8.023 -22.431 1.00 24.42 H new ATOM 0 HD1 PHE A 53 -2.657 -6.126 -21.864 1.00 33.44 H new ATOM 0 HD2 PHE A 53 -1.613 -10.086 -23.098 1.00 11.02 H new ATOM 0 HE1 PHE A 53 -0.458 -5.328 -22.606 1.00 64.44 H new ATOM 0 HE2 PHE A 53 0.577 -9.268 -23.841 1.00 51.15 H new ATOM 0 HZ PHE A 53 1.161 -6.894 -23.586 1.00 0.20 H new ATOM 806 N THR A 54 -6.307 -8.954 -20.794 1.00 23.43 N ATOM 807 CA THR A 54 -7.640 -9.541 -20.617 1.00 22.44 C ATOM 808 C THR A 54 -8.408 -9.486 -21.942 1.00 35.41 C ATOM 809 O THR A 54 -9.174 -10.395 -22.261 1.00 52.21 O ATOM 810 CB THR A 54 -8.449 -8.850 -19.456 1.00 50.40 C ATOM 811 OG1 THR A 54 -9.697 -9.541 -19.227 1.00 73.35 O ATOM 812 CG2 THR A 54 -8.707 -7.351 -19.710 1.00 2.41 C ATOM 0 H THR A 54 -6.263 -8.247 -21.528 1.00 23.43 H new ATOM 0 HA THR A 54 -7.513 -10.583 -20.322 1.00 22.44 H new ATOM 0 HB THR A 54 -7.828 -8.916 -18.563 1.00 50.40 H new ATOM 0 HG1 THR A 54 -10.187 -9.100 -18.502 1.00 73.35 H new ATOM 0 HG21 THR A 54 -9.268 -6.932 -18.875 1.00 2.41 H new ATOM 0 HG22 THR A 54 -7.755 -6.829 -19.806 1.00 2.41 H new ATOM 0 HG23 THR A 54 -9.280 -7.231 -20.629 1.00 2.41 H new ATOM 820 N GLN A 55 -8.182 -8.414 -22.720 1.00 22.42 N ATOM 821 CA GLN A 55 -8.827 -8.215 -24.020 1.00 44.25 C ATOM 822 C GLN A 55 -7.886 -8.683 -25.133 1.00 24.51 C ATOM 823 O GLN A 55 -6.657 -8.565 -25.004 1.00 52.13 O ATOM 824 CB GLN A 55 -9.222 -6.722 -24.206 1.00 55.54 C ATOM 825 CG GLN A 55 -10.192 -6.176 -23.134 1.00 64.12 C ATOM 826 CD GLN A 55 -11.495 -6.980 -23.010 1.00 33.24 C ATOM 827 OE1 GLN A 55 -11.991 -7.567 -23.976 1.00 41.24 O ATOM 828 NE2 GLN A 55 -12.062 -7.017 -21.816 1.00 72.41 N ATOM 0 H GLN A 55 -7.544 -7.661 -22.460 1.00 22.42 H new ATOM 0 HA GLN A 55 -9.741 -8.806 -24.067 1.00 44.25 H new ATOM 0 HB2 GLN A 55 -8.316 -6.116 -24.200 1.00 55.54 H new ATOM 0 HB3 GLN A 55 -9.680 -6.600 -25.188 1.00 55.54 H new ATOM 0 HG2 GLN A 55 -9.686 -6.171 -22.169 1.00 64.12 H new ATOM 0 HG3 GLN A 55 -10.436 -5.141 -23.372 1.00 64.12 H new ATOM 0 HE21 GLN A 55 -11.634 -6.524 -21.032 1.00 72.41 H new ATOM 0 HE22 GLN A 55 -12.928 -7.539 -21.678 1.00 72.41 H new ATOM 837 N LYS A 56 -8.477 -9.197 -26.227 1.00 2.32 N ATOM 838 CA LYS A 56 -7.732 -9.784 -27.344 1.00 65.22 C ATOM 839 C LYS A 56 -6.901 -8.727 -28.061 1.00 60.34 C ATOM 840 O LYS A 56 -5.755 -8.976 -28.332 1.00 41.43 O ATOM 841 CB LYS A 56 -8.680 -10.529 -28.332 1.00 4.25 C ATOM 842 CG LYS A 56 -9.715 -9.641 -29.064 1.00 10.41 C ATOM 843 CD LYS A 56 -10.623 -10.435 -30.030 1.00 11.25 C ATOM 844 CE LYS A 56 -11.481 -11.484 -29.311 1.00 15.44 C ATOM 845 NZ LYS A 56 -12.363 -10.871 -28.285 1.00 45.41 N ATOM 0 H LYS A 56 -9.489 -9.215 -26.357 1.00 2.32 H new ATOM 0 HA LYS A 56 -7.046 -10.524 -26.933 1.00 65.22 H new ATOM 0 HB2 LYS A 56 -8.070 -11.036 -29.079 1.00 4.25 H new ATOM 0 HB3 LYS A 56 -9.216 -11.301 -27.780 1.00 4.25 H new ATOM 0 HG2 LYS A 56 -10.336 -9.134 -28.326 1.00 10.41 H new ATOM 0 HG3 LYS A 56 -9.189 -8.867 -29.623 1.00 10.41 H new ATOM 0 HD2 LYS A 56 -11.275 -9.742 -30.562 1.00 11.25 H new ATOM 0 HD3 LYS A 56 -10.005 -10.929 -30.779 1.00 11.25 H new ATOM 0 HE2 LYS A 56 -12.090 -12.017 -30.041 1.00 15.44 H new ATOM 0 HE3 LYS A 56 -10.832 -12.221 -28.838 1.00 15.44 H new ATOM 0 HZ1 LYS A 56 -13.020 -11.589 -27.918 1.00 45.41 H new ATOM 0 HZ2 LYS A 56 -11.783 -10.502 -27.505 1.00 45.41 H new ATOM 0 HZ3 LYS A 56 -12.904 -10.093 -28.713 1.00 45.41 H new ATOM 859 N GLY A 57 -7.473 -7.528 -28.291 1.00 62.21 N ATOM 860 CA GLY A 57 -6.795 -6.468 -29.058 1.00 64.42 C ATOM 861 C GLY A 57 -5.468 -6.020 -28.437 1.00 12.51 C ATOM 862 O GLY A 57 -4.562 -5.565 -29.150 1.00 23.31 O ATOM 0 H GLY A 57 -8.402 -7.271 -27.956 1.00 62.21 H new ATOM 0 HA2 GLY A 57 -6.611 -6.824 -30.071 1.00 64.42 H new ATOM 0 HA3 GLY A 57 -7.459 -5.607 -29.138 1.00 64.42 H new ATOM 866 N ASN A 58 -5.356 -6.187 -27.105 1.00 43.35 N ATOM 867 CA ASN A 58 -4.119 -5.902 -26.361 1.00 10.11 C ATOM 868 C ASN A 58 -3.078 -7.012 -26.609 1.00 23.01 C ATOM 869 O ASN A 58 -1.920 -6.728 -26.912 1.00 14.13 O ATOM 870 CB ASN A 58 -4.416 -5.767 -24.852 1.00 73.23 C ATOM 871 CG ASN A 58 -5.346 -4.594 -24.512 1.00 60.50 C ATOM 872 OD1 ASN A 58 -6.566 -4.725 -24.552 1.00 2.14 O ATOM 873 ND2 ASN A 58 -4.784 -3.444 -24.170 1.00 2.24 N ATOM 0 H ASN A 58 -6.120 -6.522 -26.518 1.00 43.35 H new ATOM 0 HA ASN A 58 -3.709 -4.957 -26.717 1.00 10.11 H new ATOM 0 HB2 ASN A 58 -4.867 -6.693 -24.495 1.00 73.23 H new ATOM 0 HB3 ASN A 58 -3.476 -5.642 -24.315 1.00 73.23 H new ATOM 0 HD21 ASN A 58 -5.368 -2.642 -23.932 1.00 2.24 H new ATOM 0 HD22 ASN A 58 -3.768 -3.361 -24.144 1.00 2.24 H new ATOM 880 N LEU A 59 -3.520 -8.282 -26.490 1.00 5.01 N ATOM 881 CA LEU A 59 -2.640 -9.451 -26.690 1.00 21.33 C ATOM 882 C LEU A 59 -2.187 -9.580 -28.160 1.00 60.33 C ATOM 883 O LEU A 59 -1.025 -9.869 -28.421 1.00 24.05 O ATOM 884 CB LEU A 59 -3.339 -10.765 -26.250 1.00 12.23 C ATOM 885 CG LEU A 59 -2.466 -12.059 -26.415 1.00 64.12 C ATOM 886 CD1 LEU A 59 -1.202 -11.997 -25.541 1.00 72.13 C ATOM 887 CD2 LEU A 59 -3.265 -13.348 -26.151 1.00 43.40 C ATOM 0 H LEU A 59 -4.483 -8.523 -26.256 1.00 5.01 H new ATOM 0 HA LEU A 59 -1.760 -9.289 -26.067 1.00 21.33 H new ATOM 0 HB2 LEU A 59 -3.632 -10.672 -25.204 1.00 12.23 H new ATOM 0 HB3 LEU A 59 -4.255 -10.885 -26.829 1.00 12.23 H new ATOM 0 HG LEU A 59 -2.153 -12.093 -27.459 1.00 64.12 H new ATOM 0 HD11 LEU A 59 -0.620 -12.908 -25.678 1.00 72.13 H new ATOM 0 HD12 LEU A 59 -0.601 -11.135 -25.831 1.00 72.13 H new ATOM 0 HD13 LEU A 59 -1.488 -11.904 -24.493 1.00 72.13 H new ATOM 0 HD21 LEU A 59 -2.614 -14.213 -26.279 1.00 43.40 H new ATOM 0 HD22 LEU A 59 -3.653 -13.333 -25.133 1.00 43.40 H new ATOM 0 HD23 LEU A 59 -4.095 -13.412 -26.855 1.00 43.40 H new ATOM 899 N LEU A 60 -3.118 -9.322 -29.092 1.00 75.52 N ATOM 900 CA LEU A 60 -2.933 -9.580 -30.532 1.00 72.32 C ATOM 901 C LEU A 60 -1.817 -8.709 -31.101 1.00 23.14 C ATOM 902 O LEU A 60 -0.888 -9.225 -31.725 1.00 3.03 O ATOM 903 CB LEU A 60 -4.263 -9.360 -31.316 1.00 10.10 C ATOM 904 CG LEU A 60 -5.397 -10.406 -31.062 1.00 43.33 C ATOM 905 CD1 LEU A 60 -6.667 -10.059 -31.877 1.00 43.45 C ATOM 906 CD2 LEU A 60 -4.905 -11.838 -31.353 1.00 14.42 C ATOM 0 H LEU A 60 -4.030 -8.924 -28.867 1.00 75.52 H new ATOM 0 HA LEU A 60 -2.642 -10.624 -30.651 1.00 72.32 H new ATOM 0 HB2 LEU A 60 -4.648 -8.371 -31.067 1.00 10.10 H new ATOM 0 HB3 LEU A 60 -4.035 -9.354 -32.382 1.00 10.10 H new ATOM 0 HG LEU A 60 -5.667 -10.363 -30.007 1.00 43.33 H new ATOM 0 HD11 LEU A 60 -7.439 -10.803 -31.681 1.00 43.45 H new ATOM 0 HD12 LEU A 60 -7.029 -9.074 -31.584 1.00 43.45 H new ATOM 0 HD13 LEU A 60 -6.427 -10.056 -32.940 1.00 43.45 H new ATOM 0 HD21 LEU A 60 -5.714 -12.545 -31.168 1.00 14.42 H new ATOM 0 HD22 LEU A 60 -4.591 -11.910 -32.394 1.00 14.42 H new ATOM 0 HD23 LEU A 60 -4.062 -12.072 -30.703 1.00 14.42 H new ATOM 918 N ARG A 61 -1.897 -7.394 -30.829 1.00 13.25 N ATOM 919 CA ARG A 61 -0.898 -6.427 -31.295 1.00 62.10 C ATOM 920 C ARG A 61 0.479 -6.711 -30.652 1.00 2.42 C ATOM 921 O ARG A 61 1.519 -6.513 -31.281 1.00 13.24 O ATOM 922 CB ARG A 61 -1.360 -4.975 -30.992 1.00 41.50 C ATOM 923 CG ARG A 61 -1.322 -4.553 -29.504 1.00 40.33 C ATOM 924 CD ARG A 61 -1.636 -3.056 -29.302 1.00 4.45 C ATOM 925 NE ARG A 61 -0.760 -2.172 -30.104 1.00 44.42 N ATOM 926 CZ ARG A 61 -0.299 -0.964 -29.728 1.00 24.33 C ATOM 927 NH1 ARG A 61 -0.609 -0.442 -28.534 1.00 22.03 N ATOM 928 NH2 ARG A 61 0.468 -0.283 -30.570 1.00 32.10 N ATOM 0 H ARG A 61 -2.652 -6.978 -30.284 1.00 13.25 H new ATOM 0 HA ARG A 61 -0.796 -6.533 -32.375 1.00 62.10 H new ATOM 0 HB2 ARG A 61 -0.733 -4.288 -31.561 1.00 41.50 H new ATOM 0 HB3 ARG A 61 -2.379 -4.854 -31.358 1.00 41.50 H new ATOM 0 HG2 ARG A 61 -2.041 -5.150 -28.943 1.00 40.33 H new ATOM 0 HG3 ARG A 61 -0.336 -4.772 -29.093 1.00 40.33 H new ATOM 0 HD2 ARG A 61 -2.676 -2.868 -29.569 1.00 4.45 H new ATOM 0 HD3 ARG A 61 -1.528 -2.806 -28.247 1.00 4.45 H new ATOM 0 HE ARG A 61 -0.480 -2.509 -31.025 1.00 44.42 H new ATOM 0 HH11 ARG A 61 -1.205 -0.961 -27.890 1.00 22.03 H new ATOM 0 HH12 ARG A 61 -0.249 0.475 -28.269 1.00 22.03 H new ATOM 0 HH21 ARG A 61 0.698 -0.676 -31.483 1.00 32.10 H new ATOM 0 HH22 ARG A 61 0.828 0.634 -30.305 1.00 32.10 H new ATOM 942 N HIS A 62 0.452 -7.221 -29.413 1.00 53.25 N ATOM 943 CA HIS A 62 1.661 -7.500 -28.626 1.00 73.50 C ATOM 944 C HIS A 62 2.430 -8.707 -29.213 1.00 63.24 C ATOM 945 O HIS A 62 3.646 -8.640 -29.414 1.00 61.13 O ATOM 946 CB HIS A 62 1.261 -7.763 -27.147 1.00 23.43 C ATOM 947 CG HIS A 62 2.410 -7.956 -26.203 1.00 62.22 C ATOM 948 ND1 HIS A 62 2.864 -6.979 -25.348 1.00 13.34 N ATOM 949 CD2 HIS A 62 3.184 -9.041 -25.974 1.00 54.11 C ATOM 950 CE1 HIS A 62 3.875 -7.484 -24.648 1.00 52.24 C ATOM 951 NE2 HIS A 62 4.120 -8.736 -25.003 1.00 51.43 N ATOM 0 H HIS A 62 -0.414 -7.453 -28.926 1.00 53.25 H new ATOM 0 HA HIS A 62 2.324 -6.636 -28.667 1.00 73.50 H new ATOM 0 HB2 HIS A 62 0.658 -6.926 -26.795 1.00 23.43 H new ATOM 0 HB3 HIS A 62 0.628 -8.649 -27.110 1.00 23.43 H new ATOM 0 HD1 HIS A 62 2.491 -6.033 -25.266 1.00 13.34 H new ATOM 0 HD2 HIS A 62 3.086 -9.995 -26.471 1.00 54.11 H new ATOM 0 HE1 HIS A 62 4.424 -6.945 -23.890 1.00 52.24 H new ATOM 959 N ILE A 63 1.692 -9.807 -29.478 1.00 1.42 N ATOM 960 CA ILE A 63 2.262 -11.085 -29.972 1.00 32.33 C ATOM 961 C ILE A 63 2.764 -10.974 -31.417 1.00 13.42 C ATOM 962 O ILE A 63 3.577 -11.795 -31.843 1.00 54.34 O ATOM 963 CB ILE A 63 1.286 -12.320 -29.826 1.00 64.11 C ATOM 964 CG1 ILE A 63 -0.029 -12.118 -30.640 1.00 34.34 C ATOM 965 CG2 ILE A 63 0.987 -12.598 -28.336 1.00 41.22 C ATOM 966 CD1 ILE A 63 -1.037 -13.261 -30.547 1.00 24.35 C ATOM 0 H ILE A 63 0.680 -9.836 -29.356 1.00 1.42 H new ATOM 0 HA ILE A 63 3.113 -11.277 -29.319 1.00 32.33 H new ATOM 0 HB ILE A 63 1.787 -13.193 -30.244 1.00 64.11 H new ATOM 0 HG12 ILE A 63 -0.511 -11.202 -30.298 1.00 34.34 H new ATOM 0 HG13 ILE A 63 0.231 -11.970 -31.688 1.00 34.34 H new ATOM 0 HG21 ILE A 63 0.314 -13.451 -28.253 1.00 41.22 H new ATOM 0 HG22 ILE A 63 1.918 -12.818 -27.813 1.00 41.22 H new ATOM 0 HG23 ILE A 63 0.518 -11.721 -27.889 1.00 41.22 H new ATOM 0 HD11 ILE A 63 -1.915 -13.022 -31.148 1.00 24.35 H new ATOM 0 HD12 ILE A 63 -0.582 -14.179 -30.919 1.00 24.35 H new ATOM 0 HD13 ILE A 63 -1.335 -13.399 -29.508 1.00 24.35 H new ATOM 978 N LYS A 64 2.220 -9.999 -32.181 1.00 44.24 N ATOM 979 CA LYS A 64 2.755 -9.630 -33.509 1.00 50.42 C ATOM 980 C LYS A 64 4.276 -9.361 -33.423 1.00 23.22 C ATOM 981 O LYS A 64 5.042 -9.880 -34.218 1.00 42.43 O ATOM 982 CB LYS A 64 2.008 -8.397 -34.092 1.00 61.32 C ATOM 983 CG LYS A 64 0.522 -8.652 -34.454 1.00 33.34 C ATOM 984 CD LYS A 64 -0.191 -7.411 -35.044 1.00 22.34 C ATOM 985 CE LYS A 64 0.346 -7.008 -36.428 1.00 55.31 C ATOM 986 NZ LYS A 64 0.153 -8.081 -37.440 1.00 64.22 N ATOM 0 H LYS A 64 1.407 -9.452 -31.897 1.00 44.24 H new ATOM 0 HA LYS A 64 2.590 -10.468 -34.186 1.00 50.42 H new ATOM 0 HB2 LYS A 64 2.057 -7.584 -33.368 1.00 61.32 H new ATOM 0 HB3 LYS A 64 2.533 -8.060 -34.986 1.00 61.32 H new ATOM 0 HG2 LYS A 64 0.466 -9.469 -35.173 1.00 33.34 H new ATOM 0 HG3 LYS A 64 -0.011 -8.977 -33.560 1.00 33.34 H new ATOM 0 HD2 LYS A 64 -1.259 -7.615 -35.121 1.00 22.34 H new ATOM 0 HD3 LYS A 64 -0.075 -6.572 -34.358 1.00 22.34 H new ATOM 0 HE2 LYS A 64 -0.159 -6.101 -36.762 1.00 55.31 H new ATOM 0 HE3 LYS A 64 1.407 -6.772 -36.349 1.00 55.31 H new ATOM 0 HZ1 LYS A 64 0.355 -7.704 -38.388 1.00 64.22 H new ATOM 0 HZ2 LYS A 64 0.799 -8.870 -37.237 1.00 64.22 H new ATOM 0 HZ3 LYS A 64 -0.830 -8.420 -37.404 1.00 64.22 H new ATOM 1000 N LEU A 65 4.710 -8.632 -32.388 1.00 20.23 N ATOM 1001 CA LEU A 65 6.143 -8.321 -32.188 1.00 11.54 C ATOM 1002 C LEU A 65 6.954 -9.605 -31.845 1.00 50.33 C ATOM 1003 O LEU A 65 8.138 -9.698 -32.166 1.00 33.34 O ATOM 1004 CB LEU A 65 6.315 -7.204 -31.124 1.00 31.11 C ATOM 1005 CG LEU A 65 5.981 -5.747 -31.608 1.00 22.21 C ATOM 1006 CD1 LEU A 65 4.510 -5.574 -32.037 1.00 61.01 C ATOM 1007 CD2 LEU A 65 6.351 -4.721 -30.532 1.00 44.24 C ATOM 0 H LEU A 65 4.095 -8.244 -31.673 1.00 20.23 H new ATOM 0 HA LEU A 65 6.552 -7.938 -33.123 1.00 11.54 H new ATOM 0 HB2 LEU A 65 5.679 -7.439 -30.271 1.00 31.11 H new ATOM 0 HB3 LEU A 65 7.345 -7.222 -30.768 1.00 31.11 H new ATOM 0 HG LEU A 65 6.588 -5.571 -32.496 1.00 22.21 H new ATOM 0 HD11 LEU A 65 4.344 -4.546 -32.360 1.00 61.01 H new ATOM 0 HD12 LEU A 65 4.289 -6.254 -32.860 1.00 61.01 H new ATOM 0 HD13 LEU A 65 3.856 -5.799 -31.194 1.00 61.01 H new ATOM 0 HD21 LEU A 65 6.112 -3.719 -30.887 1.00 44.24 H new ATOM 0 HD22 LEU A 65 5.787 -4.928 -29.623 1.00 44.24 H new ATOM 0 HD23 LEU A 65 7.418 -4.785 -30.319 1.00 44.24 H new ATOM 1019 N HIS A 66 6.278 -10.607 -31.245 1.00 74.35 N ATOM 1020 CA HIS A 66 6.867 -11.952 -30.984 1.00 33.14 C ATOM 1021 C HIS A 66 6.998 -12.769 -32.298 1.00 42.25 C ATOM 1022 O HIS A 66 7.816 -13.691 -32.387 1.00 22.43 O ATOM 1023 CB HIS A 66 6.010 -12.747 -29.943 1.00 14.20 C ATOM 1024 CG HIS A 66 5.996 -12.167 -28.546 1.00 63.01 C ATOM 1025 ND1 HIS A 66 6.474 -12.836 -27.443 1.00 32.34 N ATOM 1026 CD2 HIS A 66 5.517 -10.986 -28.079 1.00 61.11 C ATOM 1027 CE1 HIS A 66 6.276 -12.076 -26.376 1.00 75.11 C ATOM 1028 NE2 HIS A 66 5.701 -10.936 -26.700 1.00 61.40 N ATOM 0 H HIS A 66 5.313 -10.515 -30.927 1.00 74.35 H new ATOM 0 HA HIS A 66 7.864 -11.799 -30.570 1.00 33.14 H new ATOM 0 HB2 HIS A 66 4.984 -12.802 -30.307 1.00 14.20 H new ATOM 0 HB3 HIS A 66 6.385 -13.769 -29.892 1.00 14.20 H new ATOM 0 HD1 HIS A 66 6.907 -13.760 -27.446 1.00 32.34 H new ATOM 0 HD2 HIS A 66 5.066 -10.210 -28.680 1.00 61.11 H new ATOM 0 HE1 HIS A 66 6.551 -12.355 -25.370 1.00 75.11 H new ATOM 1036 N SER A 67 6.206 -12.396 -33.320 1.00 25.04 N ATOM 1037 CA SER A 67 6.126 -13.118 -34.610 1.00 33.13 C ATOM 1038 C SER A 67 7.232 -12.662 -35.604 1.00 24.03 C ATOM 1039 O SER A 67 7.167 -12.983 -36.797 1.00 52.14 O ATOM 1040 CB SER A 67 4.726 -12.878 -35.216 1.00 71.41 C ATOM 1041 OG SER A 67 3.697 -13.210 -34.299 1.00 75.52 O ATOM 0 H SER A 67 5.597 -11.579 -33.277 1.00 25.04 H new ATOM 0 HA SER A 67 6.287 -14.181 -34.428 1.00 33.13 H new ATOM 0 HB2 SER A 67 4.630 -11.832 -35.509 1.00 71.41 H new ATOM 0 HB3 SER A 67 4.614 -13.474 -36.122 1.00 71.41 H new ATOM 0 HG SER A 67 3.708 -12.576 -33.552 1.00 75.52 H new ATOM 1047 N GLY A 68 8.228 -11.897 -35.108 1.00 12.22 N ATOM 1048 CA GLY A 68 9.408 -11.517 -35.907 1.00 43.33 C ATOM 1049 C GLY A 68 9.422 -10.054 -36.332 1.00 61.22 C ATOM 1050 O GLY A 68 9.123 -9.166 -35.525 1.00 21.12 O ATOM 0 H GLY A 68 8.236 -11.531 -34.156 1.00 12.22 H new ATOM 0 HA2 GLY A 68 10.308 -11.726 -35.329 1.00 43.33 H new ATOM 0 HA3 GLY A 68 9.449 -12.144 -36.798 1.00 43.33 H new ATOM 1054 N GLU A 69 9.792 -9.808 -37.604 1.00 22.13 N ATOM 1055 CA GLU A 69 10.025 -8.452 -38.118 1.00 12.14 C ATOM 1056 C GLU A 69 8.682 -7.818 -38.489 1.00 62.21 C ATOM 1057 O GLU A 69 8.250 -7.883 -39.639 1.00 21.43 O ATOM 1058 CB GLU A 69 10.979 -8.423 -39.364 1.00 23.45 C ATOM 1059 CG GLU A 69 12.201 -9.366 -39.322 1.00 31.14 C ATOM 1060 CD GLU A 69 11.855 -10.820 -39.698 1.00 60.21 C ATOM 1061 OE1 GLU A 69 11.557 -11.076 -40.884 1.00 33.02 O ATOM 1062 OE2 GLU A 69 11.879 -11.708 -38.823 1.00 0.41 O ATOM 0 H GLU A 69 9.936 -10.542 -38.298 1.00 22.13 H new ATOM 0 HA GLU A 69 10.518 -7.887 -37.327 1.00 12.14 H new ATOM 0 HB2 GLU A 69 10.391 -8.667 -40.249 1.00 23.45 H new ATOM 0 HB3 GLU A 69 11.340 -7.403 -39.493 1.00 23.45 H new ATOM 0 HG2 GLU A 69 12.965 -8.992 -40.004 1.00 31.14 H new ATOM 0 HG3 GLU A 69 12.632 -9.348 -38.321 1.00 31.14 H new ATOM 1069 N LYS A 70 7.978 -7.309 -37.488 1.00 74.21 N ATOM 1070 CA LYS A 70 6.719 -6.573 -37.694 1.00 24.24 C ATOM 1071 C LYS A 70 7.015 -5.058 -37.809 1.00 21.10 C ATOM 1072 O LYS A 70 7.985 -4.582 -37.215 1.00 73.23 O ATOM 1073 CB LYS A 70 5.707 -6.928 -36.548 1.00 42.15 C ATOM 1074 CG LYS A 70 4.624 -7.985 -36.920 1.00 40.12 C ATOM 1075 CD LYS A 70 5.158 -9.440 -37.160 1.00 53.40 C ATOM 1076 CE LYS A 70 5.625 -9.735 -38.589 1.00 55.10 C ATOM 1077 NZ LYS A 70 6.127 -11.135 -38.733 1.00 24.01 N ATOM 0 H LYS A 70 8.254 -7.389 -36.509 1.00 74.21 H new ATOM 0 HA LYS A 70 6.247 -6.870 -38.630 1.00 24.24 H new ATOM 0 HB2 LYS A 70 6.270 -7.295 -35.690 1.00 42.15 H new ATOM 0 HB3 LYS A 70 5.205 -6.013 -36.233 1.00 42.15 H new ATOM 0 HG2 LYS A 70 3.882 -8.016 -36.122 1.00 40.12 H new ATOM 0 HG3 LYS A 70 4.110 -7.652 -37.821 1.00 40.12 H new ATOM 0 HD2 LYS A 70 5.989 -9.622 -36.478 1.00 53.40 H new ATOM 0 HD3 LYS A 70 4.370 -10.147 -36.899 1.00 53.40 H new ATOM 0 HE2 LYS A 70 4.799 -9.572 -39.282 1.00 55.10 H new ATOM 0 HE3 LYS A 70 6.415 -9.036 -38.865 1.00 55.10 H new ATOM 0 HZ1 LYS A 70 6.939 -11.148 -39.383 1.00 24.01 H new ATOM 0 HZ2 LYS A 70 6.422 -11.495 -37.803 1.00 24.01 H new ATOM 0 HZ3 LYS A 70 5.370 -11.738 -39.114 1.00 24.01 H new ATOM 1091 N PRO A 71 6.191 -4.285 -38.607 1.00 35.32 N ATOM 1092 CA PRO A 71 6.445 -2.839 -38.890 1.00 33.52 C ATOM 1093 C PRO A 71 6.582 -1.993 -37.601 1.00 64.10 C ATOM 1094 O PRO A 71 5.590 -1.653 -36.947 1.00 3.13 O ATOM 1095 CB PRO A 71 5.212 -2.410 -39.754 1.00 61.11 C ATOM 1096 CG PRO A 71 4.179 -3.476 -39.522 1.00 25.22 C ATOM 1097 CD PRO A 71 4.953 -4.753 -39.298 1.00 21.45 C ATOM 0 HA PRO A 71 7.393 -2.679 -39.403 1.00 33.52 H new ATOM 0 HB2 PRO A 71 4.842 -1.430 -39.452 1.00 61.11 H new ATOM 0 HB3 PRO A 71 5.476 -2.340 -40.809 1.00 61.11 H new ATOM 0 HG2 PRO A 71 3.558 -3.238 -38.658 1.00 25.22 H new ATOM 0 HG3 PRO A 71 3.512 -3.568 -40.379 1.00 25.22 H new ATOM 0 HD2 PRO A 71 4.394 -5.461 -38.686 1.00 21.45 H new ATOM 0 HD3 PRO A 71 5.182 -5.255 -40.238 1.00 21.45 H new ATOM 1105 N PHE A 72 7.844 -1.732 -37.222 1.00 43.11 N ATOM 1106 CA PHE A 72 8.208 -0.878 -36.079 1.00 14.22 C ATOM 1107 C PHE A 72 7.707 0.563 -36.314 1.00 24.33 C ATOM 1108 O PHE A 72 7.334 1.272 -35.373 1.00 31.22 O ATOM 1109 CB PHE A 72 9.751 -0.927 -35.892 1.00 31.52 C ATOM 1110 CG PHE A 72 10.297 -0.084 -34.743 1.00 4.22 C ATOM 1111 CD1 PHE A 72 10.301 -0.572 -33.434 1.00 25.05 C ATOM 1112 CD2 PHE A 72 10.798 1.201 -34.968 1.00 21.34 C ATOM 1113 CE1 PHE A 72 10.782 0.200 -32.393 1.00 43.32 C ATOM 1114 CE2 PHE A 72 11.273 1.969 -33.928 1.00 63.25 C ATOM 1115 CZ PHE A 72 11.269 1.469 -32.642 1.00 43.03 C ATOM 0 H PHE A 72 8.654 -2.115 -37.710 1.00 43.11 H new ATOM 0 HA PHE A 72 7.734 -1.241 -35.167 1.00 14.22 H new ATOM 0 HB2 PHE A 72 10.048 -1.964 -35.733 1.00 31.52 H new ATOM 0 HB3 PHE A 72 10.223 -0.598 -36.818 1.00 31.52 H new ATOM 0 HD1 PHE A 72 9.924 -1.564 -33.233 1.00 25.05 H new ATOM 0 HD2 PHE A 72 10.813 1.598 -35.972 1.00 21.34 H new ATOM 0 HE1 PHE A 72 10.777 -0.189 -31.385 1.00 43.32 H new ATOM 0 HE2 PHE A 72 11.649 2.963 -34.119 1.00 63.25 H new ATOM 0 HZ PHE A 72 11.647 2.070 -31.829 1.00 43.03 H new ATOM 1125 N LYS A 73 7.723 0.970 -37.589 1.00 53.44 N ATOM 1126 CA LYS A 73 7.194 2.256 -38.056 1.00 24.44 C ATOM 1127 C LYS A 73 5.782 2.031 -38.654 1.00 42.23 C ATOM 1128 O LYS A 73 4.783 2.480 -38.054 1.00 24.00 O ATOM 1129 CB LYS A 73 8.173 2.864 -39.102 1.00 42.00 C ATOM 1130 CG LYS A 73 9.584 3.163 -38.537 1.00 32.53 C ATOM 1131 CD LYS A 73 10.584 3.661 -39.609 1.00 32.54 C ATOM 1132 CE LYS A 73 10.923 2.596 -40.671 1.00 3.31 C ATOM 1133 NZ LYS A 73 11.977 3.081 -41.610 1.00 13.12 N ATOM 1134 OXT LYS A 73 5.677 1.350 -39.694 1.00 38.11 O ATOM 0 H LYS A 73 8.113 0.401 -38.341 1.00 53.44 H new ATOM 0 HA LYS A 73 7.106 2.961 -37.230 1.00 24.44 H new ATOM 0 HB2 LYS A 73 8.266 2.175 -39.942 1.00 42.00 H new ATOM 0 HB3 LYS A 73 7.745 3.787 -39.493 1.00 42.00 H new ATOM 0 HG2 LYS A 73 9.501 3.914 -37.752 1.00 32.53 H new ATOM 0 HG3 LYS A 73 9.980 2.260 -38.073 1.00 32.53 H new ATOM 0 HD2 LYS A 73 10.167 4.538 -40.105 1.00 32.54 H new ATOM 0 HD3 LYS A 73 11.503 3.979 -39.118 1.00 32.54 H new ATOM 0 HE2 LYS A 73 11.263 1.685 -40.179 1.00 3.31 H new ATOM 0 HE3 LYS A 73 10.024 2.340 -41.231 1.00 3.31 H new ATOM 0 HZ1 LYS A 73 12.183 2.342 -42.312 1.00 13.12 H new ATOM 0 HZ2 LYS A 73 11.642 3.937 -42.096 1.00 13.12 H new ATOM 0 HZ3 LYS A 73 12.842 3.302 -41.077 1.00 13.12 H new TER 1148 LYS A 73 HETATM 1149 ZN ZN A 101 5.609 -9.760 -25.302 1.00 24.13 ZN