USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=14 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 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 55 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.0051) USER MOD Set 2.1: A 46 CYS SG : rot -166:sc= -3.24 USER MOD Set 2.2: A 49 CYS SG : rot 171:sc= -3.59! USER MOD Set 3.1: A 11 MET CE :methyl 180:sc= -0.362 (180deg=-0.0262) USER MOD Set 3.2: A 13 ASN : amide:sc= -1.99 K(o=-2.4,f=-0.47) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc=-0.00122 X(o=-0.0012,f=-0.0078) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,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= -0.162 X(o=-0.16,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0183) USER MOD Single : A 18 CYS SG : rot -1:sc= 0.0396 USER MOD Single : A 21 CYS SG : rot 30:sc= 0.0365 USER MOD Single : A 23 MET CE :methyl 161:sc= -0.204 (180deg=-0.765) USER MOD Single : A 25 CYS SG : rot 180:sc=-0.00604 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.19) 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=-0.0017) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.877 K(o=-0.88,f=0.26) USER MOD Single : A 39 THR OG1 : rot 43:sc= 0.291 USER MOD Single : A 45 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.0042) USER MOD Single : A 47 ASN : amide:sc= -0.153 K(o=-0.15,f=-2.5!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -23:sc= -0.809 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.477 K(o=-0.48,f=-4.6!) USER MOD Single : A 64 LYS NZ :NH3+ 170:sc=-0.00125 (180deg=-0.143) USER MOD Single : A 67 SER OG : rot 77:sc= 0.959 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -46.708 84.459 13.086 1.00 71.34 N ATOM 2 CA MET A 1 -46.510 83.524 11.962 1.00 72.21 C ATOM 3 C MET A 1 -45.007 83.219 11.793 1.00 41.42 C ATOM 4 O MET A 1 -44.212 84.112 11.488 1.00 42.04 O ATOM 5 CB MET A 1 -47.139 84.095 10.650 1.00 22.45 C ATOM 6 CG MET A 1 -46.672 85.507 10.237 1.00 31.51 C ATOM 7 SD MET A 1 -47.431 86.078 8.698 1.00 41.32 S ATOM 8 CE MET A 1 -46.653 87.684 8.478 1.00 32.33 C ATOM 0 H1 MET A 1 -47.722 84.661 13.195 1.00 71.34 H new ATOM 0 H2 MET A 1 -46.344 84.032 13.961 1.00 71.34 H new ATOM 0 H3 MET A 1 -46.197 85.345 12.895 1.00 71.34 H new ATOM 0 HA MET A 1 -47.022 82.587 12.181 1.00 72.21 H new ATOM 0 HB2 MET A 1 -46.917 83.407 9.834 1.00 22.45 H new ATOM 0 HB3 MET A 1 -48.223 84.112 10.767 1.00 22.45 H new ATOM 0 HG2 MET A 1 -46.909 86.210 11.035 1.00 31.51 H new ATOM 0 HG3 MET A 1 -45.588 85.507 10.123 1.00 31.51 H new ATOM 0 HE1 MET A 1 -47.029 88.149 7.566 1.00 32.33 H new ATOM 0 HE2 MET A 1 -46.885 88.321 9.332 1.00 32.33 H new ATOM 0 HE3 MET A 1 -45.573 87.558 8.402 1.00 32.33 H new ATOM 20 N GLY A 2 -44.628 81.959 12.036 1.00 3.33 N ATOM 21 CA GLY A 2 -43.234 81.528 11.937 1.00 73.34 C ATOM 22 C GLY A 2 -43.121 80.020 12.023 1.00 44.23 C ATOM 23 O GLY A 2 -42.215 79.490 12.672 1.00 50.34 O ATOM 0 H GLY A 2 -45.275 81.217 12.304 1.00 3.33 H new ATOM 0 HA2 GLY A 2 -42.809 81.874 10.995 1.00 73.34 H new ATOM 0 HA3 GLY A 2 -42.651 81.985 12.736 1.00 73.34 H new ATOM 27 N HIS A 3 -44.076 79.322 11.386 1.00 35.32 N ATOM 28 CA HIS A 3 -44.144 77.853 11.354 1.00 35.24 C ATOM 29 C HIS A 3 -43.998 77.381 9.905 1.00 71.23 C ATOM 30 O HIS A 3 -44.997 77.193 9.192 1.00 62.04 O ATOM 31 CB HIS A 3 -45.468 77.343 11.993 1.00 73.51 C ATOM 32 CG HIS A 3 -45.538 77.501 13.488 1.00 64.42 C ATOM 33 ND1 HIS A 3 -45.859 76.470 14.340 1.00 11.31 N ATOM 34 CD2 HIS A 3 -45.334 78.578 14.281 1.00 13.43 C ATOM 35 CE1 HIS A 3 -45.846 76.909 15.578 1.00 74.52 C ATOM 36 NE2 HIS A 3 -45.529 78.183 15.567 1.00 53.20 N ATOM 0 H HIS A 3 -44.834 79.770 10.871 1.00 35.32 H new ATOM 0 HA HIS A 3 -43.329 77.436 11.945 1.00 35.24 H new ATOM 0 HB2 HIS A 3 -46.304 77.879 11.544 1.00 73.51 H new ATOM 0 HB3 HIS A 3 -45.595 76.289 11.745 1.00 73.51 H new ATOM 0 HD2 HIS A 3 -45.065 79.571 13.952 1.00 13.43 H new ATOM 0 HE1 HIS A 3 -46.060 76.320 16.458 1.00 74.52 H new ATOM 0 HE2 HIS A 3 -45.443 78.780 16.390 1.00 53.20 H new ATOM 45 N HIS A 4 -42.739 77.259 9.452 1.00 23.13 N ATOM 46 CA HIS A 4 -42.424 76.741 8.118 1.00 64.02 C ATOM 47 C HIS A 4 -42.524 75.209 8.151 1.00 20.34 C ATOM 48 O HIS A 4 -41.575 74.525 8.559 1.00 61.42 O ATOM 49 CB HIS A 4 -41.028 77.210 7.643 1.00 71.12 C ATOM 50 CG HIS A 4 -40.727 76.874 6.201 1.00 61.20 C ATOM 51 ND1 HIS A 4 -40.954 77.755 5.165 1.00 23.33 N ATOM 52 CD2 HIS A 4 -40.246 75.742 5.620 1.00 61.41 C ATOM 53 CE1 HIS A 4 -40.628 77.188 4.025 1.00 72.03 C ATOM 54 NE2 HIS A 4 -40.197 75.969 4.275 1.00 12.34 N ATOM 0 H HIS A 4 -41.918 77.516 10.000 1.00 23.13 H new ATOM 0 HA HIS A 4 -43.141 77.134 7.398 1.00 64.02 H new ATOM 0 HB2 HIS A 4 -40.953 78.289 7.778 1.00 71.12 H new ATOM 0 HB3 HIS A 4 -40.267 76.756 8.278 1.00 71.12 H new ATOM 0 HD2 HIS A 4 -39.957 74.834 6.128 1.00 61.41 H new ATOM 0 HE1 HIS A 4 -40.701 77.644 3.049 1.00 72.03 H new ATOM 0 HE2 HIS A 4 -39.877 75.300 3.574 1.00 12.34 H new ATOM 63 N HIS A 5 -43.697 74.698 7.753 1.00 70.51 N ATOM 64 CA HIS A 5 -44.008 73.259 7.747 1.00 32.21 C ATOM 65 C HIS A 5 -43.184 72.536 6.676 1.00 52.44 C ATOM 66 O HIS A 5 -43.176 72.944 5.507 1.00 73.42 O ATOM 67 CB HIS A 5 -45.518 73.046 7.522 1.00 52.31 C ATOM 68 CG HIS A 5 -46.363 73.621 8.621 1.00 41.45 C ATOM 69 ND1 HIS A 5 -46.991 74.844 8.536 1.00 1.04 N ATOM 70 CD2 HIS A 5 -46.666 73.133 9.841 1.00 52.11 C ATOM 71 CE1 HIS A 5 -47.639 75.078 9.657 1.00 23.53 C ATOM 72 NE2 HIS A 5 -47.457 74.056 10.461 1.00 72.32 N ATOM 0 H HIS A 5 -44.467 75.278 7.422 1.00 70.51 H new ATOM 0 HA HIS A 5 -43.742 72.836 8.716 1.00 32.21 H new ATOM 0 HB2 HIS A 5 -45.806 73.501 6.574 1.00 52.31 H new ATOM 0 HB3 HIS A 5 -45.720 71.978 7.437 1.00 52.31 H new ATOM 0 HD2 HIS A 5 -46.343 72.188 10.251 1.00 52.11 H new ATOM 0 HE1 HIS A 5 -48.221 75.960 9.878 1.00 23.53 H new ATOM 0 HE2 HIS A 5 -47.845 73.966 11.400 1.00 72.32 H new ATOM 81 N HIS A 6 -42.489 71.471 7.101 1.00 31.42 N ATOM 82 CA HIS A 6 -41.504 70.759 6.279 1.00 71.44 C ATOM 83 C HIS A 6 -41.233 69.362 6.874 1.00 44.52 C ATOM 84 O HIS A 6 -41.325 69.180 8.093 1.00 24.11 O ATOM 85 CB HIS A 6 -40.188 71.603 6.167 1.00 43.11 C ATOM 86 CG HIS A 6 -39.471 71.935 7.469 1.00 50.44 C ATOM 87 ND1 HIS A 6 -38.169 72.376 7.498 1.00 72.42 N ATOM 88 CD2 HIS A 6 -39.880 71.935 8.766 1.00 52.02 C ATOM 89 CE1 HIS A 6 -37.816 72.630 8.736 1.00 41.42 C ATOM 90 NE2 HIS A 6 -38.837 72.369 9.526 1.00 34.35 N ATOM 0 H HIS A 6 -42.597 71.077 8.035 1.00 31.42 H new ATOM 0 HA HIS A 6 -41.900 70.623 5.273 1.00 71.44 H new ATOM 0 HB2 HIS A 6 -39.492 71.063 5.524 1.00 43.11 H new ATOM 0 HB3 HIS A 6 -40.427 72.539 5.663 1.00 43.11 H new ATOM 0 HD2 HIS A 6 -40.855 71.644 9.128 1.00 52.02 H new ATOM 0 HE1 HIS A 6 -36.850 72.993 9.054 1.00 41.42 H new ATOM 0 HE2 HIS A 6 -38.845 72.475 10.540 1.00 34.35 H new ATOM 99 N HIS A 7 -40.924 68.381 6.004 1.00 20.42 N ATOM 100 CA HIS A 7 -40.613 66.994 6.420 1.00 72.22 C ATOM 101 C HIS A 7 -39.828 66.258 5.319 1.00 33.51 C ATOM 102 O HIS A 7 -40.110 66.429 4.131 1.00 21.22 O ATOM 103 CB HIS A 7 -41.911 66.205 6.780 1.00 74.34 C ATOM 104 CG HIS A 7 -42.957 66.109 5.677 1.00 3.44 C ATOM 105 ND1 HIS A 7 -44.082 66.904 5.643 1.00 44.43 N ATOM 106 CD2 HIS A 7 -43.057 65.293 4.592 1.00 14.53 C ATOM 107 CE1 HIS A 7 -44.818 66.580 4.599 1.00 33.32 C ATOM 108 NE2 HIS A 7 -44.217 65.608 3.948 1.00 31.11 N ATOM 0 H HIS A 7 -40.882 68.524 4.995 1.00 20.42 H new ATOM 0 HA HIS A 7 -39.992 67.049 7.314 1.00 72.22 H new ATOM 0 HB2 HIS A 7 -41.629 65.195 7.076 1.00 74.34 H new ATOM 0 HB3 HIS A 7 -42.370 66.675 7.650 1.00 74.34 H new ATOM 0 HD2 HIS A 7 -42.347 64.535 4.295 1.00 14.53 H new ATOM 0 HE1 HIS A 7 -45.757 67.036 4.324 1.00 33.32 H new ATOM 0 HE2 HIS A 7 -44.563 65.162 3.098 1.00 31.11 H new ATOM 117 N HIS A 8 -38.842 65.446 5.739 1.00 44.42 N ATOM 118 CA HIS A 8 -38.111 64.515 4.862 1.00 74.12 C ATOM 119 C HIS A 8 -37.428 63.442 5.731 1.00 44.15 C ATOM 120 O HIS A 8 -36.857 63.753 6.786 1.00 60.23 O ATOM 121 CB HIS A 8 -37.093 65.245 3.931 1.00 24.11 C ATOM 122 CG HIS A 8 -36.012 66.032 4.632 1.00 72.05 C ATOM 123 ND1 HIS A 8 -36.122 67.375 4.899 1.00 12.12 N ATOM 124 CD2 HIS A 8 -34.800 65.667 5.097 1.00 40.43 C ATOM 125 CE1 HIS A 8 -35.030 67.799 5.492 1.00 61.21 C ATOM 126 NE2 HIS A 8 -34.214 66.779 5.625 1.00 31.43 N ATOM 0 H HIS A 8 -38.527 65.418 6.709 1.00 44.42 H new ATOM 0 HA HIS A 8 -38.824 64.035 4.192 1.00 74.12 H new ATOM 0 HB2 HIS A 8 -36.618 64.502 3.290 1.00 24.11 H new ATOM 0 HB3 HIS A 8 -37.645 65.922 3.280 1.00 24.11 H new ATOM 0 HD2 HIS A 8 -34.372 64.676 5.058 1.00 40.43 H new ATOM 0 HE1 HIS A 8 -34.836 68.811 5.815 1.00 61.21 H new ATOM 0 HE2 HIS A 8 -33.290 66.813 6.055 1.00 31.43 H new ATOM 135 N SER A 9 -37.507 62.176 5.286 1.00 71.33 N ATOM 136 CA SER A 9 -37.007 61.022 6.051 1.00 42.45 C ATOM 137 C SER A 9 -36.593 59.881 5.108 1.00 12.45 C ATOM 138 O SER A 9 -37.225 59.670 4.065 1.00 53.14 O ATOM 139 CB SER A 9 -38.096 60.553 7.043 1.00 42.42 C ATOM 140 OG SER A 9 -39.339 60.336 6.394 1.00 11.42 O ATOM 0 H SER A 9 -37.919 61.925 4.387 1.00 71.33 H new ATOM 0 HA SER A 9 -36.122 61.321 6.613 1.00 42.45 H new ATOM 0 HB2 SER A 9 -37.773 59.632 7.529 1.00 42.42 H new ATOM 0 HB3 SER A 9 -38.220 61.300 7.827 1.00 42.42 H new ATOM 0 HG SER A 9 -40.003 60.039 7.050 1.00 11.42 H new ATOM 146 N HIS A 10 -35.528 59.152 5.494 1.00 20.32 N ATOM 147 CA HIS A 10 -35.004 57.993 4.738 1.00 52.04 C ATOM 148 C HIS A 10 -34.177 57.092 5.675 1.00 34.43 C ATOM 149 O HIS A 10 -33.839 57.500 6.791 1.00 34.44 O ATOM 150 CB HIS A 10 -34.149 58.455 3.525 1.00 43.51 C ATOM 151 CG HIS A 10 -32.843 59.136 3.872 1.00 1.51 C ATOM 152 ND1 HIS A 10 -32.766 60.455 4.251 1.00 74.30 N ATOM 153 CD2 HIS A 10 -31.565 58.674 3.876 1.00 44.41 C ATOM 154 CE1 HIS A 10 -31.507 60.774 4.466 1.00 63.21 C ATOM 155 NE2 HIS A 10 -30.763 59.711 4.247 1.00 41.14 N ATOM 0 H HIS A 10 -35.002 59.351 6.345 1.00 20.32 H new ATOM 0 HA HIS A 10 -35.847 57.423 4.348 1.00 52.04 H new ATOM 0 HB2 HIS A 10 -33.932 57.586 2.903 1.00 43.51 H new ATOM 0 HB3 HIS A 10 -34.746 59.138 2.921 1.00 43.51 H new ATOM 0 HD2 HIS A 10 -31.245 57.672 3.631 1.00 44.41 H new ATOM 0 HE1 HIS A 10 -31.146 61.745 4.771 1.00 63.21 H new ATOM 0 HE2 HIS A 10 -29.748 59.670 4.340 1.00 41.14 H new ATOM 164 N MET A 11 -33.824 55.884 5.199 1.00 14.21 N ATOM 165 CA MET A 11 -33.058 54.897 5.989 1.00 3.22 C ATOM 166 C MET A 11 -31.988 54.222 5.093 1.00 34.01 C ATOM 167 O MET A 11 -32.332 53.681 4.036 1.00 13.43 O ATOM 168 CB MET A 11 -34.028 53.855 6.634 1.00 12.42 C ATOM 169 CG MET A 11 -34.902 53.058 5.644 1.00 24.03 C ATOM 170 SD MET A 11 -36.319 52.259 6.438 1.00 53.30 S ATOM 171 CE MET A 11 -35.546 51.227 7.680 1.00 42.14 C ATOM 0 H MET A 11 -34.060 55.563 4.260 1.00 14.21 H new ATOM 0 HA MET A 11 -32.537 55.402 6.802 1.00 3.22 H new ATOM 0 HB2 MET A 11 -33.438 53.150 7.220 1.00 12.42 H new ATOM 0 HB3 MET A 11 -34.684 54.378 7.331 1.00 12.42 H new ATOM 0 HG2 MET A 11 -35.260 53.728 4.863 1.00 24.03 H new ATOM 0 HG3 MET A 11 -34.290 52.299 5.157 1.00 24.03 H new ATOM 0 HE1 MET A 11 -36.314 50.686 8.233 1.00 42.14 H new ATOM 0 HE2 MET A 11 -34.878 50.515 7.196 1.00 42.14 H new ATOM 0 HE3 MET A 11 -34.975 51.851 8.368 1.00 42.14 H new ATOM 181 N PRO A 12 -30.662 54.309 5.458 1.00 3.22 N ATOM 182 CA PRO A 12 -29.571 53.599 4.739 1.00 23.34 C ATOM 183 C PRO A 12 -29.697 52.058 4.862 1.00 5.34 C ATOM 184 O PRO A 12 -29.110 51.446 5.762 1.00 12.41 O ATOM 185 CB PRO A 12 -28.265 54.137 5.407 1.00 25.04 C ATOM 186 CG PRO A 12 -28.682 55.382 6.149 1.00 24.21 C ATOM 187 CD PRO A 12 -30.115 55.143 6.569 1.00 24.04 C ATOM 0 HA PRO A 12 -29.594 53.785 3.665 1.00 23.34 H new ATOM 0 HB2 PRO A 12 -27.838 53.399 6.086 1.00 25.04 H new ATOM 0 HB3 PRO A 12 -27.504 54.361 4.659 1.00 25.04 H new ATOM 0 HG2 PRO A 12 -28.043 55.555 7.015 1.00 24.21 H new ATOM 0 HG3 PRO A 12 -28.602 56.263 5.513 1.00 24.21 H new ATOM 0 HD2 PRO A 12 -30.173 54.626 7.527 1.00 24.04 H new ATOM 0 HD3 PRO A 12 -30.664 56.078 6.678 1.00 24.04 H new ATOM 195 N ASN A 13 -30.541 51.460 4.008 1.00 31.01 N ATOM 196 CA ASN A 13 -30.748 49.996 3.933 1.00 2.45 C ATOM 197 C ASN A 13 -30.274 49.486 2.565 1.00 30.02 C ATOM 198 O ASN A 13 -30.907 49.765 1.536 1.00 24.13 O ATOM 199 CB ASN A 13 -32.248 49.614 4.166 1.00 31.41 C ATOM 200 CG ASN A 13 -32.728 49.705 5.622 1.00 5.52 C ATOM 201 OD1 ASN A 13 -33.534 48.885 6.062 1.00 61.15 O ATOM 202 ND2 ASN A 13 -32.287 50.697 6.377 1.00 71.43 N ATOM 0 H ASN A 13 -31.109 51.981 3.340 1.00 31.01 H new ATOM 0 HA ASN A 13 -30.165 49.524 4.724 1.00 2.45 H new ATOM 0 HB2 ASN A 13 -32.871 50.265 3.553 1.00 31.41 H new ATOM 0 HB3 ASN A 13 -32.406 48.596 3.811 1.00 31.41 H new ATOM 0 HD21 ASN A 13 -32.615 50.791 7.338 1.00 71.43 H new ATOM 0 HD22 ASN A 13 -31.619 51.368 5.998 1.00 71.43 H new ATOM 209 N GLY A 14 -29.159 48.738 2.561 1.00 12.22 N ATOM 210 CA GLY A 14 -28.561 48.233 1.328 1.00 40.04 C ATOM 211 C GLY A 14 -27.694 47.008 1.567 1.00 53.30 C ATOM 212 O GLY A 14 -26.617 46.878 0.983 1.00 12.43 O ATOM 0 H GLY A 14 -28.655 48.472 3.407 1.00 12.22 H new ATOM 0 HA2 GLY A 14 -29.351 47.984 0.619 1.00 40.04 H new ATOM 0 HA3 GLY A 14 -27.959 49.018 0.871 1.00 40.04 H new ATOM 216 N LYS A 15 -28.179 46.116 2.440 1.00 25.53 N ATOM 217 CA LYS A 15 -27.512 44.828 2.752 1.00 33.43 C ATOM 218 C LYS A 15 -27.985 43.717 1.783 1.00 11.24 C ATOM 219 O LYS A 15 -27.299 42.698 1.621 1.00 12.23 O ATOM 220 CB LYS A 15 -27.809 44.422 4.228 1.00 23.14 C ATOM 221 CG LYS A 15 -27.073 43.146 4.720 1.00 44.42 C ATOM 222 CD LYS A 15 -27.512 42.697 6.133 1.00 61.34 C ATOM 223 CE LYS A 15 -26.797 41.415 6.598 1.00 0.41 C ATOM 224 NZ LYS A 15 -27.263 40.960 7.936 1.00 73.15 N ATOM 0 H LYS A 15 -29.047 46.260 2.956 1.00 25.53 H new ATOM 0 HA LYS A 15 -26.436 44.953 2.626 1.00 33.43 H new ATOM 0 HB2 LYS A 15 -27.538 45.253 4.879 1.00 23.14 H new ATOM 0 HB3 LYS A 15 -28.883 44.269 4.338 1.00 23.14 H new ATOM 0 HG2 LYS A 15 -27.255 42.335 4.015 1.00 44.42 H new ATOM 0 HG3 LYS A 15 -25.999 43.332 4.722 1.00 44.42 H new ATOM 0 HD2 LYS A 15 -27.310 43.499 6.843 1.00 61.34 H new ATOM 0 HD3 LYS A 15 -28.589 42.530 6.138 1.00 61.34 H new ATOM 0 HE2 LYS A 15 -26.966 40.623 5.869 1.00 0.41 H new ATOM 0 HE3 LYS A 15 -25.722 41.593 6.632 1.00 0.41 H new ATOM 0 HZ1 LYS A 15 -26.753 40.095 8.205 1.00 73.15 H new ATOM 0 HZ2 LYS A 15 -27.079 41.704 8.639 1.00 73.15 H new ATOM 0 HZ3 LYS A 15 -28.284 40.763 7.900 1.00 73.15 H new ATOM 238 N LEU A 16 -29.168 43.929 1.157 1.00 54.03 N ATOM 239 CA LEU A 16 -29.809 42.925 0.276 1.00 23.31 C ATOM 240 C LEU A 16 -28.896 42.528 -0.911 1.00 3.45 C ATOM 241 O LEU A 16 -28.464 43.376 -1.697 1.00 15.13 O ATOM 242 CB LEU A 16 -31.220 43.405 -0.221 1.00 54.33 C ATOM 243 CG LEU A 16 -31.294 44.604 -1.247 1.00 35.01 C ATOM 244 CD1 LEU A 16 -32.701 44.719 -1.870 1.00 51.02 C ATOM 245 CD2 LEU A 16 -30.889 45.944 -0.600 1.00 62.00 C ATOM 0 H LEU A 16 -29.701 44.794 1.248 1.00 54.03 H new ATOM 0 HA LEU A 16 -29.962 42.029 0.877 1.00 23.31 H new ATOM 0 HB2 LEU A 16 -31.719 42.549 -0.676 1.00 54.33 H new ATOM 0 HB3 LEU A 16 -31.802 43.684 0.657 1.00 54.33 H new ATOM 0 HG LEU A 16 -30.577 44.385 -2.038 1.00 35.01 H new ATOM 0 HD11 LEU A 16 -32.721 45.553 -2.572 1.00 51.02 H new ATOM 0 HD12 LEU A 16 -32.942 43.796 -2.397 1.00 51.02 H new ATOM 0 HD13 LEU A 16 -33.435 44.890 -1.082 1.00 51.02 H new ATOM 0 HD21 LEU A 16 -30.954 46.740 -1.341 1.00 62.00 H new ATOM 0 HD22 LEU A 16 -31.560 46.165 0.230 1.00 62.00 H new ATOM 0 HD23 LEU A 16 -29.866 45.875 -0.231 1.00 62.00 H new ATOM 257 N LYS A 17 -28.566 41.226 -0.984 1.00 24.44 N ATOM 258 CA LYS A 17 -27.754 40.647 -2.074 1.00 44.45 C ATOM 259 C LYS A 17 -28.595 39.651 -2.886 1.00 41.14 C ATOM 260 O LYS A 17 -29.576 39.104 -2.373 1.00 71.32 O ATOM 261 CB LYS A 17 -26.476 39.955 -1.516 1.00 3.50 C ATOM 262 CG LYS A 17 -26.735 38.866 -0.446 1.00 5.42 C ATOM 263 CD LYS A 17 -25.447 38.099 -0.058 1.00 42.03 C ATOM 264 CE LYS A 17 -25.682 37.106 1.097 1.00 13.11 C ATOM 265 NZ LYS A 17 -26.712 36.078 0.765 1.00 35.25 N ATOM 0 H LYS A 17 -28.856 40.541 -0.286 1.00 24.44 H new ATOM 0 HA LYS A 17 -27.435 41.457 -2.730 1.00 44.45 H new ATOM 0 HB2 LYS A 17 -25.933 39.505 -2.347 1.00 3.50 H new ATOM 0 HB3 LYS A 17 -25.826 40.718 -1.087 1.00 3.50 H new ATOM 0 HG2 LYS A 17 -27.160 39.329 0.444 1.00 5.42 H new ATOM 0 HG3 LYS A 17 -27.475 38.160 -0.822 1.00 5.42 H new ATOM 0 HD2 LYS A 17 -25.073 37.559 -0.928 1.00 42.03 H new ATOM 0 HD3 LYS A 17 -24.675 38.812 0.231 1.00 42.03 H new ATOM 0 HE2 LYS A 17 -24.743 36.609 1.342 1.00 13.11 H new ATOM 0 HE3 LYS A 17 -25.994 37.654 1.986 1.00 13.11 H new ATOM 0 HZ1 LYS A 17 -26.785 35.395 1.546 1.00 35.25 H new ATOM 0 HZ2 LYS A 17 -27.632 36.542 0.623 1.00 35.25 H new ATOM 0 HZ3 LYS A 17 -26.438 35.580 -0.106 1.00 35.25 H new ATOM 279 N CYS A 18 -28.198 39.428 -4.149 1.00 2.43 N ATOM 280 CA CYS A 18 -28.913 38.543 -5.087 1.00 21.30 C ATOM 281 C CYS A 18 -27.893 37.865 -6.021 1.00 41.51 C ATOM 282 O CYS A 18 -27.354 38.515 -6.925 1.00 4.55 O ATOM 283 CB CYS A 18 -29.956 39.352 -5.906 1.00 21.03 C ATOM 284 SG CYS A 18 -31.225 40.175 -4.910 1.00 24.10 S ATOM 0 H CYS A 18 -27.366 39.859 -4.552 1.00 2.43 H new ATOM 0 HA CYS A 18 -29.449 37.776 -4.527 1.00 21.30 H new ATOM 0 HB2 CYS A 18 -29.431 40.104 -6.495 1.00 21.03 H new ATOM 0 HB3 CYS A 18 -30.446 38.680 -6.611 1.00 21.03 H new ATOM 0 HG CYS A 18 -31.025 39.915 -3.652 1.00 24.10 H new ATOM 290 N ASP A 19 -27.621 36.571 -5.786 1.00 73.20 N ATOM 291 CA ASP A 19 -26.631 35.789 -6.563 1.00 4.00 C ATOM 292 C ASP A 19 -26.892 34.280 -6.384 1.00 13.33 C ATOM 293 O ASP A 19 -27.625 33.881 -5.474 1.00 12.55 O ATOM 294 CB ASP A 19 -25.177 36.152 -6.123 1.00 32.32 C ATOM 295 CG ASP A 19 -24.898 35.846 -4.634 1.00 73.24 C ATOM 296 OD1 ASP A 19 -25.252 36.677 -3.765 1.00 72.23 O ATOM 297 OD2 ASP A 19 -24.360 34.766 -4.323 1.00 4.15 O ATOM 0 H ASP A 19 -28.080 36.032 -5.052 1.00 73.20 H new ATOM 0 HA ASP A 19 -26.738 36.039 -7.619 1.00 4.00 H new ATOM 0 HB2 ASP A 19 -24.469 35.599 -6.740 1.00 32.32 H new ATOM 0 HB3 ASP A 19 -25.002 37.212 -6.309 1.00 32.32 H new ATOM 302 N VAL A 20 -26.283 33.455 -7.254 1.00 4.43 N ATOM 303 CA VAL A 20 -26.402 31.981 -7.190 1.00 45.42 C ATOM 304 C VAL A 20 -25.156 31.309 -7.801 1.00 51.33 C ATOM 305 O VAL A 20 -24.625 31.763 -8.824 1.00 60.13 O ATOM 306 CB VAL A 20 -27.711 31.463 -7.911 1.00 1.42 C ATOM 307 CG1 VAL A 20 -27.767 31.887 -9.401 1.00 61.04 C ATOM 308 CG2 VAL A 20 -27.891 29.930 -7.749 1.00 63.00 C ATOM 0 H VAL A 20 -25.696 33.786 -8.020 1.00 4.43 H new ATOM 0 HA VAL A 20 -26.474 31.708 -6.137 1.00 45.42 H new ATOM 0 HB VAL A 20 -28.552 31.944 -7.412 1.00 1.42 H new ATOM 0 HG11 VAL A 20 -28.684 31.508 -9.853 1.00 61.04 H new ATOM 0 HG12 VAL A 20 -27.751 32.975 -9.471 1.00 61.04 H new ATOM 0 HG13 VAL A 20 -26.906 31.477 -9.929 1.00 61.04 H new ATOM 0 HG21 VAL A 20 -28.802 29.615 -8.259 1.00 63.00 H new ATOM 0 HG22 VAL A 20 -27.035 29.415 -8.184 1.00 63.00 H new ATOM 0 HG23 VAL A 20 -27.963 29.682 -6.690 1.00 63.00 H new ATOM 318 N CYS A 21 -24.699 30.223 -7.156 1.00 34.33 N ATOM 319 CA CYS A 21 -23.587 29.392 -7.643 1.00 33.34 C ATOM 320 C CYS A 21 -23.775 27.958 -7.119 1.00 75.21 C ATOM 321 O CYS A 21 -24.021 27.763 -5.919 1.00 13.33 O ATOM 322 CB CYS A 21 -22.225 29.970 -7.198 1.00 21.24 C ATOM 323 SG CYS A 21 -22.051 30.182 -5.406 1.00 41.34 S ATOM 0 H CYS A 21 -25.095 29.895 -6.275 1.00 34.33 H new ATOM 0 HA CYS A 21 -23.591 29.384 -8.733 1.00 33.34 H new ATOM 0 HB2 CYS A 21 -21.432 29.312 -7.552 1.00 21.24 H new ATOM 0 HB3 CYS A 21 -22.078 30.936 -7.682 1.00 21.24 H new ATOM 0 HG CYS A 21 -22.759 29.281 -4.792 1.00 41.34 H new ATOM 329 N GLY A 22 -23.673 26.965 -8.020 1.00 42.34 N ATOM 330 CA GLY A 22 -23.867 25.569 -7.659 1.00 53.40 C ATOM 331 C GLY A 22 -23.535 24.638 -8.811 1.00 71.10 C ATOM 332 O GLY A 22 -24.309 24.544 -9.765 1.00 12.52 O ATOM 0 H GLY A 22 -23.456 27.115 -9.005 1.00 42.34 H new ATOM 0 HA2 GLY A 22 -23.240 25.325 -6.802 1.00 53.40 H new ATOM 0 HA3 GLY A 22 -24.901 25.413 -7.352 1.00 53.40 H new ATOM 336 N MET A 23 -22.366 23.983 -8.744 1.00 71.11 N ATOM 337 CA MET A 23 -21.950 22.939 -9.698 1.00 61.21 C ATOM 338 C MET A 23 -21.314 21.784 -8.917 1.00 23.12 C ATOM 339 O MET A 23 -20.491 22.022 -8.027 1.00 60.30 O ATOM 340 CB MET A 23 -20.935 23.484 -10.750 1.00 4.31 C ATOM 341 CG MET A 23 -21.540 24.372 -11.844 1.00 12.10 C ATOM 342 SD MET A 23 -20.321 24.881 -13.080 1.00 34.22 S ATOM 343 CE MET A 23 -19.755 23.305 -13.726 1.00 72.35 C ATOM 0 H MET A 23 -21.673 24.164 -8.018 1.00 71.11 H new ATOM 0 HA MET A 23 -22.831 22.597 -10.241 1.00 61.21 H new ATOM 0 HB2 MET A 23 -20.165 24.052 -10.228 1.00 4.31 H new ATOM 0 HB3 MET A 23 -20.439 22.637 -11.225 1.00 4.31 H new ATOM 0 HG2 MET A 23 -22.349 23.834 -12.337 1.00 12.10 H new ATOM 0 HG3 MET A 23 -21.979 25.258 -11.386 1.00 12.10 H new ATOM 0 HE1 MET A 23 -19.277 23.459 -14.693 1.00 72.35 H new ATOM 0 HE2 MET A 23 -19.039 22.864 -13.033 1.00 72.35 H new ATOM 0 HE3 MET A 23 -20.606 22.634 -13.845 1.00 72.35 H new ATOM 353 N VAL A 24 -21.683 20.543 -9.269 1.00 35.31 N ATOM 354 CA VAL A 24 -21.176 19.321 -8.613 1.00 12.32 C ATOM 355 C VAL A 24 -20.824 18.264 -9.680 1.00 2.11 C ATOM 356 O VAL A 24 -21.553 18.097 -10.664 1.00 33.22 O ATOM 357 CB VAL A 24 -22.231 18.739 -7.590 1.00 54.53 C ATOM 358 CG1 VAL A 24 -23.580 18.381 -8.267 1.00 5.42 C ATOM 359 CG2 VAL A 24 -21.649 17.536 -6.807 1.00 72.45 C ATOM 0 H VAL A 24 -22.346 20.355 -10.021 1.00 35.31 H new ATOM 0 HA VAL A 24 -20.278 19.580 -8.052 1.00 12.32 H new ATOM 0 HB VAL A 24 -22.446 19.532 -6.873 1.00 54.53 H new ATOM 0 HG11 VAL A 24 -24.268 17.986 -7.520 1.00 5.42 H new ATOM 0 HG12 VAL A 24 -24.009 19.275 -8.719 1.00 5.42 H new ATOM 0 HG13 VAL A 24 -23.412 17.630 -9.039 1.00 5.42 H new ATOM 0 HG21 VAL A 24 -22.398 17.158 -6.111 1.00 72.45 H new ATOM 0 HG22 VAL A 24 -21.371 16.747 -7.506 1.00 72.45 H new ATOM 0 HG23 VAL A 24 -20.767 17.856 -6.252 1.00 72.45 H new ATOM 369 N CYS A 25 -19.702 17.563 -9.483 1.00 63.34 N ATOM 370 CA CYS A 25 -19.245 16.498 -10.378 1.00 2.15 C ATOM 371 C CYS A 25 -18.846 15.285 -9.529 1.00 31.44 C ATOM 372 O CYS A 25 -17.933 15.374 -8.701 1.00 14.35 O ATOM 373 CB CYS A 25 -18.062 16.997 -11.227 1.00 5.33 C ATOM 374 SG CYS A 25 -18.433 18.488 -12.183 1.00 25.31 S ATOM 0 H CYS A 25 -19.081 17.722 -8.690 1.00 63.34 H new ATOM 0 HA CYS A 25 -20.043 16.208 -11.061 1.00 2.15 H new ATOM 0 HB2 CYS A 25 -17.215 17.198 -10.572 1.00 5.33 H new ATOM 0 HB3 CYS A 25 -17.756 16.204 -11.910 1.00 5.33 H new ATOM 0 HG CYS A 25 -17.383 18.838 -12.865 1.00 25.31 H new ATOM 380 N ILE A 26 -19.553 14.169 -9.735 1.00 1.32 N ATOM 381 CA ILE A 26 -19.381 12.925 -8.961 1.00 52.11 C ATOM 382 C ILE A 26 -19.506 11.709 -9.904 1.00 51.45 C ATOM 383 O ILE A 26 -20.273 11.747 -10.876 1.00 43.14 O ATOM 384 CB ILE A 26 -20.439 12.852 -7.786 1.00 13.31 C ATOM 385 CG1 ILE A 26 -20.247 11.560 -6.923 1.00 54.32 C ATOM 386 CG2 ILE A 26 -21.892 12.970 -8.319 1.00 33.12 C ATOM 387 CD1 ILE A 26 -21.152 11.462 -5.709 1.00 74.01 C ATOM 0 H ILE A 26 -20.273 14.099 -10.454 1.00 1.32 H new ATOM 0 HA ILE A 26 -18.389 12.914 -8.510 1.00 52.11 H new ATOM 0 HB ILE A 26 -20.262 13.708 -7.135 1.00 13.31 H new ATOM 0 HG12 ILE A 26 -20.417 10.689 -7.556 1.00 54.32 H new ATOM 0 HG13 ILE A 26 -19.210 11.514 -6.590 1.00 54.32 H new ATOM 0 HG21 ILE A 26 -22.591 12.916 -7.485 1.00 33.12 H new ATOM 0 HG22 ILE A 26 -22.014 13.923 -8.834 1.00 33.12 H new ATOM 0 HG23 ILE A 26 -22.092 12.154 -9.014 1.00 33.12 H new ATOM 0 HD11 ILE A 26 -20.946 10.534 -5.175 1.00 74.01 H new ATOM 0 HD12 ILE A 26 -20.968 12.309 -5.049 1.00 74.01 H new ATOM 0 HD13 ILE A 26 -22.194 11.472 -6.030 1.00 74.01 H new ATOM 399 N GLY A 27 -18.742 10.641 -9.605 1.00 72.34 N ATOM 400 CA GLY A 27 -18.694 9.432 -10.431 1.00 42.13 C ATOM 401 C GLY A 27 -18.087 9.663 -11.824 1.00 22.13 C ATOM 402 O GLY A 27 -18.761 9.409 -12.827 1.00 0.41 O ATOM 0 H GLY A 27 -18.142 10.598 -8.781 1.00 72.34 H new ATOM 0 HA2 GLY A 27 -18.112 8.670 -9.912 1.00 42.13 H new ATOM 0 HA3 GLY A 27 -19.704 9.039 -10.545 1.00 42.13 H new ATOM 406 N PRO A 28 -16.805 10.165 -11.931 1.00 72.31 N ATOM 407 CA PRO A 28 -16.164 10.481 -13.239 1.00 74.34 C ATOM 408 C PRO A 28 -15.772 9.212 -14.024 1.00 2.00 C ATOM 409 O PRO A 28 -16.262 8.975 -15.137 1.00 62.21 O ATOM 410 CB PRO A 28 -14.905 11.316 -12.847 1.00 10.42 C ATOM 411 CG PRO A 28 -15.075 11.636 -11.386 1.00 41.13 C ATOM 412 CD PRO A 28 -15.883 10.498 -10.813 1.00 15.13 C ATOM 0 HA PRO A 28 -16.841 11.017 -13.904 1.00 74.34 H new ATOM 0 HB2 PRO A 28 -13.989 10.751 -13.021 1.00 10.42 H new ATOM 0 HB3 PRO A 28 -14.836 12.226 -13.443 1.00 10.42 H new ATOM 0 HG2 PRO A 28 -14.109 11.720 -10.888 1.00 41.13 H new ATOM 0 HG3 PRO A 28 -15.588 12.588 -11.250 1.00 41.13 H new ATOM 0 HD2 PRO A 28 -15.254 9.651 -10.539 1.00 15.13 H new ATOM 0 HD3 PRO A 28 -16.424 10.796 -9.915 1.00 15.13 H new ATOM 420 N ASN A 29 -14.899 8.395 -13.414 1.00 14.31 N ATOM 421 CA ASN A 29 -14.323 7.193 -14.052 1.00 24.32 C ATOM 422 C ASN A 29 -14.649 5.930 -13.242 1.00 31.43 C ATOM 423 O ASN A 29 -14.146 4.858 -13.574 1.00 15.33 O ATOM 424 CB ASN A 29 -12.777 7.336 -14.191 1.00 5.24 C ATOM 425 CG ASN A 29 -12.357 8.583 -14.960 1.00 14.00 C ATOM 426 OD1 ASN A 29 -12.102 9.633 -14.372 1.00 0.43 O ATOM 427 ND2 ASN A 29 -12.300 8.487 -16.278 1.00 61.14 N ATOM 0 H ASN A 29 -14.569 8.547 -12.461 1.00 14.31 H new ATOM 0 HA ASN A 29 -14.767 7.099 -15.043 1.00 24.32 H new ATOM 0 HB2 ASN A 29 -12.330 7.362 -13.197 1.00 5.24 H new ATOM 0 HB3 ASN A 29 -12.381 6.455 -14.696 1.00 5.24 H new ATOM 0 HD21 ASN A 29 -12.038 9.299 -16.838 1.00 61.14 H new ATOM 0 HD22 ASN A 29 -12.518 7.601 -16.735 1.00 61.14 H new ATOM 434 N VAL A 30 -15.504 6.057 -12.205 1.00 31.41 N ATOM 435 CA VAL A 30 -15.804 4.953 -11.263 1.00 64.43 C ATOM 436 C VAL A 30 -16.386 3.712 -11.988 1.00 21.53 C ATOM 437 O VAL A 30 -16.155 2.583 -11.559 1.00 52.11 O ATOM 438 CB VAL A 30 -16.782 5.409 -10.110 1.00 43.24 C ATOM 439 CG1 VAL A 30 -16.176 6.564 -9.274 1.00 24.55 C ATOM 440 CG2 VAL A 30 -18.174 5.793 -10.663 1.00 42.21 C ATOM 0 H VAL A 30 -16.004 6.921 -11.996 1.00 31.41 H new ATOM 0 HA VAL A 30 -14.851 4.672 -10.814 1.00 64.43 H new ATOM 0 HB VAL A 30 -16.916 4.555 -9.446 1.00 43.24 H new ATOM 0 HG11 VAL A 30 -16.876 6.852 -8.490 1.00 24.55 H new ATOM 0 HG12 VAL A 30 -15.241 6.234 -8.822 1.00 24.55 H new ATOM 0 HG13 VAL A 30 -15.984 7.420 -9.921 1.00 24.55 H new ATOM 0 HG21 VAL A 30 -18.820 6.101 -9.841 1.00 42.21 H new ATOM 0 HG22 VAL A 30 -18.070 6.615 -11.371 1.00 42.21 H new ATOM 0 HG23 VAL A 30 -18.615 4.933 -11.168 1.00 42.21 H new ATOM 450 N LEU A 31 -17.129 3.950 -13.092 1.00 54.33 N ATOM 451 CA LEU A 31 -17.731 2.888 -13.927 1.00 32.01 C ATOM 452 C LEU A 31 -16.623 2.146 -14.706 1.00 51.21 C ATOM 453 O LEU A 31 -16.637 0.913 -14.802 1.00 54.22 O ATOM 454 CB LEU A 31 -18.800 3.526 -14.877 1.00 53.32 C ATOM 455 CG LEU A 31 -19.845 2.574 -15.580 1.00 32.23 C ATOM 456 CD1 LEU A 31 -21.067 3.372 -16.079 1.00 34.23 C ATOM 457 CD2 LEU A 31 -19.231 1.774 -16.757 1.00 75.42 C ATOM 0 H LEU A 31 -17.329 4.891 -13.430 1.00 54.33 H new ATOM 0 HA LEU A 31 -18.236 2.151 -13.303 1.00 32.01 H new ATOM 0 HB2 LEU A 31 -19.358 4.263 -14.300 1.00 53.32 H new ATOM 0 HB3 LEU A 31 -18.268 4.069 -15.658 1.00 53.32 H new ATOM 0 HG LEU A 31 -20.161 1.856 -14.823 1.00 32.23 H new ATOM 0 HD11 LEU A 31 -21.773 2.694 -16.560 1.00 34.23 H new ATOM 0 HD12 LEU A 31 -21.552 3.861 -15.234 1.00 34.23 H new ATOM 0 HD13 LEU A 31 -20.741 4.125 -16.796 1.00 34.23 H new ATOM 0 HD21 LEU A 31 -19.995 1.137 -17.202 1.00 75.42 H new ATOM 0 HD22 LEU A 31 -18.853 2.466 -17.509 1.00 75.42 H new ATOM 0 HD23 LEU A 31 -18.412 1.156 -16.389 1.00 75.42 H new ATOM 469 N MET A 32 -15.668 2.930 -15.246 1.00 72.31 N ATOM 470 CA MET A 32 -14.513 2.409 -16.001 1.00 53.31 C ATOM 471 C MET A 32 -13.626 1.520 -15.111 1.00 61.11 C ATOM 472 O MET A 32 -13.269 0.415 -15.511 1.00 12.01 O ATOM 473 CB MET A 32 -13.702 3.596 -16.596 1.00 10.22 C ATOM 474 CG MET A 32 -12.354 3.216 -17.240 1.00 1.51 C ATOM 475 SD MET A 32 -12.495 1.895 -18.464 1.00 3.02 S ATOM 476 CE MET A 32 -10.787 1.663 -18.956 1.00 60.01 C ATOM 0 H MET A 32 -15.677 3.947 -15.170 1.00 72.31 H new ATOM 0 HA MET A 32 -14.876 1.787 -16.819 1.00 53.31 H new ATOM 0 HB2 MET A 32 -14.316 4.095 -17.346 1.00 10.22 H new ATOM 0 HB3 MET A 32 -13.516 4.321 -15.803 1.00 10.22 H new ATOM 0 HG2 MET A 32 -11.925 4.098 -17.715 1.00 1.51 H new ATOM 0 HG3 MET A 32 -11.660 2.905 -16.459 1.00 1.51 H new ATOM 0 HE1 MET A 32 -10.729 0.876 -19.708 1.00 60.01 H new ATOM 0 HE2 MET A 32 -10.399 2.592 -19.373 1.00 60.01 H new ATOM 0 HE3 MET A 32 -10.193 1.379 -18.087 1.00 60.01 H new ATOM 486 N VAL A 33 -13.316 2.006 -13.895 1.00 30.55 N ATOM 487 CA VAL A 33 -12.444 1.299 -12.934 1.00 32.12 C ATOM 488 C VAL A 33 -13.141 0.017 -12.412 1.00 23.13 C ATOM 489 O VAL A 33 -12.483 -1.011 -12.178 1.00 71.42 O ATOM 490 CB VAL A 33 -12.046 2.229 -11.723 1.00 20.22 C ATOM 491 CG1 VAL A 33 -10.984 1.558 -10.830 1.00 5.01 C ATOM 492 CG2 VAL A 33 -11.544 3.602 -12.217 1.00 70.25 C ATOM 0 H VAL A 33 -13.663 2.901 -13.549 1.00 30.55 H new ATOM 0 HA VAL A 33 -11.531 1.020 -13.460 1.00 32.12 H new ATOM 0 HB VAL A 33 -12.943 2.388 -11.125 1.00 20.22 H new ATOM 0 HG11 VAL A 33 -10.730 2.223 -10.004 1.00 5.01 H new ATOM 0 HG12 VAL A 33 -11.380 0.623 -10.434 1.00 5.01 H new ATOM 0 HG13 VAL A 33 -10.090 1.353 -11.419 1.00 5.01 H new ATOM 0 HG21 VAL A 33 -11.277 4.221 -11.361 1.00 70.25 H new ATOM 0 HG22 VAL A 33 -10.668 3.463 -12.851 1.00 70.25 H new ATOM 0 HG23 VAL A 33 -12.331 4.093 -12.789 1.00 70.25 H new ATOM 502 N HIS A 34 -14.480 0.112 -12.251 1.00 51.13 N ATOM 503 CA HIS A 34 -15.346 -1.009 -11.840 1.00 25.33 C ATOM 504 C HIS A 34 -15.252 -2.161 -12.856 1.00 70.53 C ATOM 505 O HIS A 34 -14.956 -3.292 -12.479 1.00 60.34 O ATOM 506 CB HIS A 34 -16.809 -0.503 -11.690 1.00 2.43 C ATOM 507 CG HIS A 34 -17.830 -1.529 -11.266 1.00 42.42 C ATOM 508 ND1 HIS A 34 -19.105 -1.561 -11.792 1.00 55.33 N ATOM 509 CD2 HIS A 34 -17.795 -2.508 -10.329 1.00 35.45 C ATOM 510 CE1 HIS A 34 -19.799 -2.505 -11.197 1.00 63.45 C ATOM 511 NE2 HIS A 34 -19.030 -3.094 -10.314 1.00 23.24 N ATOM 0 H HIS A 34 -14.993 0.980 -12.405 1.00 51.13 H new ATOM 0 HA HIS A 34 -15.012 -1.394 -10.877 1.00 25.33 H new ATOM 0 HB2 HIS A 34 -16.817 0.309 -10.963 1.00 2.43 H new ATOM 0 HB3 HIS A 34 -17.124 -0.080 -12.644 1.00 2.43 H new ATOM 0 HD2 HIS A 34 -16.951 -2.775 -9.711 1.00 35.45 H new ATOM 0 HE1 HIS A 34 -20.830 -2.754 -11.401 1.00 63.45 H new ATOM 0 HE2 HIS A 34 -19.309 -3.868 -9.711 1.00 23.24 H new ATOM 520 N LYS A 35 -15.462 -1.832 -14.145 1.00 15.02 N ATOM 521 CA LYS A 35 -15.417 -2.809 -15.254 1.00 73.23 C ATOM 522 C LYS A 35 -13.985 -3.370 -15.416 1.00 14.13 C ATOM 523 O LYS A 35 -13.809 -4.567 -15.667 1.00 62.10 O ATOM 524 CB LYS A 35 -15.932 -2.134 -16.577 1.00 50.33 C ATOM 525 CG LYS A 35 -16.082 -3.083 -17.809 1.00 21.11 C ATOM 526 CD LYS A 35 -14.755 -3.301 -18.603 1.00 21.52 C ATOM 527 CE LYS A 35 -14.801 -4.527 -19.522 1.00 3.21 C ATOM 528 NZ LYS A 35 -13.473 -4.820 -20.131 1.00 63.21 N ATOM 0 H LYS A 35 -15.668 -0.880 -14.449 1.00 15.02 H new ATOM 0 HA LYS A 35 -16.073 -3.649 -15.027 1.00 73.23 H new ATOM 0 HB2 LYS A 35 -16.900 -1.675 -16.376 1.00 50.33 H new ATOM 0 HB3 LYS A 35 -15.247 -1.329 -16.843 1.00 50.33 H new ATOM 0 HG2 LYS A 35 -16.453 -4.049 -17.468 1.00 21.11 H new ATOM 0 HG3 LYS A 35 -16.834 -2.672 -18.483 1.00 21.11 H new ATOM 0 HD2 LYS A 35 -14.546 -2.414 -19.200 1.00 21.52 H new ATOM 0 HD3 LYS A 35 -13.931 -3.413 -17.899 1.00 21.52 H new ATOM 0 HE2 LYS A 35 -15.138 -5.394 -18.953 1.00 3.21 H new ATOM 0 HE3 LYS A 35 -15.533 -4.360 -20.312 1.00 3.21 H new ATOM 0 HZ1 LYS A 35 -13.549 -5.656 -20.745 1.00 63.21 H new ATOM 0 HZ2 LYS A 35 -13.162 -4.004 -20.695 1.00 63.21 H new ATOM 0 HZ3 LYS A 35 -12.779 -5.005 -19.379 1.00 63.21 H new ATOM 542 N ARG A 36 -12.988 -2.472 -15.262 1.00 11.21 N ATOM 543 CA ARG A 36 -11.552 -2.783 -15.433 1.00 30.11 C ATOM 544 C ARG A 36 -11.113 -3.881 -14.443 1.00 10.01 C ATOM 545 O ARG A 36 -10.304 -4.755 -14.785 1.00 31.33 O ATOM 546 CB ARG A 36 -10.730 -1.457 -15.252 1.00 22.41 C ATOM 547 CG ARG A 36 -9.207 -1.506 -15.556 1.00 0.13 C ATOM 548 CD ARG A 36 -8.350 -2.123 -14.428 1.00 14.51 C ATOM 549 NE ARG A 36 -8.559 -1.442 -13.134 1.00 71.11 N ATOM 550 CZ ARG A 36 -7.607 -0.816 -12.420 1.00 51.43 C ATOM 551 NH1 ARG A 36 -6.344 -0.755 -12.856 1.00 64.24 N ATOM 552 NH2 ARG A 36 -7.916 -0.256 -11.265 1.00 74.20 N ATOM 0 H ARG A 36 -13.160 -1.498 -15.012 1.00 11.21 H new ATOM 0 HA ARG A 36 -11.366 -3.175 -16.433 1.00 30.11 H new ATOM 0 HB2 ARG A 36 -11.176 -0.696 -15.892 1.00 22.41 H new ATOM 0 HB3 ARG A 36 -10.856 -1.122 -14.223 1.00 22.41 H new ATOM 0 HG2 ARG A 36 -9.050 -2.079 -16.470 1.00 0.13 H new ATOM 0 HG3 ARG A 36 -8.855 -0.493 -15.750 1.00 0.13 H new ATOM 0 HD2 ARG A 36 -8.595 -3.180 -14.324 1.00 14.51 H new ATOM 0 HD3 ARG A 36 -7.296 -2.065 -14.701 1.00 14.51 H new ATOM 0 HE ARG A 36 -9.504 -1.447 -12.750 1.00 71.11 H new ATOM 0 HH11 ARG A 36 -6.090 -1.188 -13.744 1.00 64.24 H new ATOM 0 HH12 ARG A 36 -5.635 -0.276 -12.301 1.00 64.24 H new ATOM 0 HH21 ARG A 36 -8.874 -0.299 -10.917 1.00 74.20 H new ATOM 0 HH22 ARG A 36 -7.197 0.220 -10.720 1.00 74.20 H new ATOM 566 N SER A 37 -11.671 -3.816 -13.220 1.00 51.03 N ATOM 567 CA SER A 37 -11.381 -4.773 -12.137 1.00 72.02 C ATOM 568 C SER A 37 -11.816 -6.216 -12.515 1.00 61.05 C ATOM 569 O SER A 37 -11.283 -7.194 -11.975 1.00 40.13 O ATOM 570 CB SER A 37 -12.072 -4.305 -10.834 1.00 4.35 C ATOM 571 OG SER A 37 -11.763 -5.150 -9.740 1.00 74.41 O ATOM 0 H SER A 37 -12.340 -3.093 -12.954 1.00 51.03 H new ATOM 0 HA SER A 37 -10.303 -4.800 -11.978 1.00 72.02 H new ATOM 0 HB2 SER A 37 -11.762 -3.286 -10.604 1.00 4.35 H new ATOM 0 HB3 SER A 37 -13.152 -4.284 -10.983 1.00 4.35 H new ATOM 0 HG SER A 37 -12.216 -4.822 -8.935 1.00 74.41 H new ATOM 577 N HIS A 38 -12.772 -6.329 -13.455 1.00 11.20 N ATOM 578 CA HIS A 38 -13.256 -7.619 -13.970 1.00 42.03 C ATOM 579 C HIS A 38 -12.479 -8.004 -15.243 1.00 13.21 C ATOM 580 O HIS A 38 -12.632 -7.364 -16.296 1.00 71.25 O ATOM 581 CB HIS A 38 -14.773 -7.557 -14.284 1.00 11.45 C ATOM 582 CG HIS A 38 -15.641 -7.309 -13.084 1.00 11.41 C ATOM 583 ND1 HIS A 38 -16.206 -8.317 -12.336 1.00 51.22 N ATOM 584 CD2 HIS A 38 -16.045 -6.158 -12.508 1.00 5.44 C ATOM 585 CE1 HIS A 38 -16.916 -7.791 -11.363 1.00 12.33 C ATOM 586 NE2 HIS A 38 -16.833 -6.482 -11.445 1.00 35.14 N ATOM 0 H HIS A 38 -13.231 -5.523 -13.879 1.00 11.20 H new ATOM 0 HA HIS A 38 -13.092 -8.374 -13.201 1.00 42.03 H new ATOM 0 HB2 HIS A 38 -14.949 -6.768 -15.015 1.00 11.45 H new ATOM 0 HB3 HIS A 38 -15.075 -8.495 -14.749 1.00 11.45 H new ATOM 0 HD2 HIS A 38 -15.790 -5.160 -12.831 1.00 5.44 H new ATOM 0 HE1 HIS A 38 -17.474 -8.342 -10.621 1.00 12.33 H new ATOM 0 HE2 HIS A 38 -17.284 -5.818 -10.816 1.00 35.14 H new ATOM 595 N THR A 39 -11.622 -9.031 -15.131 1.00 4.23 N ATOM 596 CA THR A 39 -10.966 -9.647 -16.289 1.00 74.22 C ATOM 597 C THR A 39 -11.901 -10.717 -16.888 1.00 0.24 C ATOM 598 O THR A 39 -11.965 -11.856 -16.402 1.00 52.10 O ATOM 599 CB THR A 39 -9.563 -10.243 -15.917 1.00 2.10 C ATOM 600 OG1 THR A 39 -9.683 -11.147 -14.804 1.00 52.30 O ATOM 601 CG2 THR A 39 -8.548 -9.134 -15.564 1.00 73.10 C ATOM 0 H THR A 39 -11.367 -9.454 -14.239 1.00 4.23 H new ATOM 0 HA THR A 39 -10.779 -8.879 -17.039 1.00 74.22 H new ATOM 0 HB THR A 39 -9.197 -10.780 -16.792 1.00 2.10 H new ATOM 0 HG1 THR A 39 -10.478 -11.708 -14.923 1.00 52.30 H new ATOM 0 HG21 THR A 39 -7.589 -9.586 -15.312 1.00 73.10 H new ATOM 0 HG22 THR A 39 -8.423 -8.470 -16.419 1.00 73.10 H new ATOM 0 HG23 THR A 39 -8.915 -8.563 -14.711 1.00 73.10 H new ATOM 609 N GLY A 40 -12.669 -10.314 -17.918 1.00 63.20 N ATOM 610 CA GLY A 40 -13.713 -11.158 -18.507 1.00 25.03 C ATOM 611 C GLY A 40 -13.172 -12.207 -19.473 1.00 10.53 C ATOM 612 O GLY A 40 -12.033 -12.082 -19.949 1.00 13.14 O ATOM 0 H GLY A 40 -12.580 -9.399 -18.359 1.00 63.20 H new ATOM 0 HA2 GLY A 40 -14.259 -11.659 -17.707 1.00 25.03 H new ATOM 0 HA3 GLY A 40 -14.428 -10.525 -19.033 1.00 25.03 H new ATOM 616 N GLU A 41 -14.014 -13.233 -19.759 1.00 11.13 N ATOM 617 CA GLU A 41 -13.670 -14.370 -20.645 1.00 54.32 C ATOM 618 C GLU A 41 -12.463 -15.166 -20.083 1.00 3.32 C ATOM 619 O GLU A 41 -12.234 -15.178 -18.863 1.00 0.42 O ATOM 620 CB GLU A 41 -13.413 -13.866 -22.102 1.00 41.41 C ATOM 621 CG GLU A 41 -14.619 -13.169 -22.759 1.00 55.24 C ATOM 622 CD GLU A 41 -14.282 -12.559 -24.127 1.00 35.32 C ATOM 623 OE1 GLU A 41 -13.871 -11.384 -24.178 1.00 32.01 O ATOM 624 OE2 GLU A 41 -14.414 -13.257 -25.158 1.00 23.03 O ATOM 0 H GLU A 41 -14.958 -13.293 -19.377 1.00 11.13 H new ATOM 0 HA GLU A 41 -14.516 -15.057 -20.678 1.00 54.32 H new ATOM 0 HB2 GLU A 41 -12.571 -13.173 -22.090 1.00 41.41 H new ATOM 0 HB3 GLU A 41 -13.119 -14.714 -22.720 1.00 41.41 H new ATOM 0 HG2 GLU A 41 -15.429 -13.889 -22.877 1.00 55.24 H new ATOM 0 HG3 GLU A 41 -14.984 -12.384 -22.097 1.00 55.24 H new ATOM 631 N ARG A 42 -11.745 -15.875 -20.968 1.00 62.32 N ATOM 632 CA ARG A 42 -10.468 -16.531 -20.638 1.00 31.32 C ATOM 633 C ARG A 42 -9.368 -15.454 -20.465 1.00 73.30 C ATOM 634 O ARG A 42 -9.409 -14.428 -21.156 1.00 64.05 O ATOM 635 CB ARG A 42 -10.091 -17.549 -21.754 1.00 64.24 C ATOM 636 CG ARG A 42 -9.820 -16.924 -23.152 1.00 0.34 C ATOM 637 CD ARG A 42 -9.816 -17.959 -24.288 1.00 13.44 C ATOM 638 NE ARG A 42 -8.843 -19.043 -24.070 1.00 65.12 N ATOM 639 CZ ARG A 42 -8.610 -20.059 -24.915 1.00 22.43 C ATOM 640 NH1 ARG A 42 -9.258 -20.155 -26.073 1.00 5.52 N ATOM 641 NH2 ARG A 42 -7.726 -20.990 -24.581 1.00 74.13 N ATOM 0 H ARG A 42 -12.034 -16.010 -21.937 1.00 62.32 H new ATOM 0 HA ARG A 42 -10.564 -17.081 -19.702 1.00 31.32 H new ATOM 0 HB2 ARG A 42 -9.203 -18.097 -21.440 1.00 64.24 H new ATOM 0 HB3 ARG A 42 -10.897 -18.276 -21.848 1.00 64.24 H new ATOM 0 HG2 ARG A 42 -10.579 -16.170 -23.359 1.00 0.34 H new ATOM 0 HG3 ARG A 42 -8.858 -16.411 -23.133 1.00 0.34 H new ATOM 0 HD2 ARG A 42 -10.814 -18.387 -24.387 1.00 13.44 H new ATOM 0 HD3 ARG A 42 -9.590 -17.458 -25.229 1.00 13.44 H new ATOM 0 HE ARG A 42 -8.302 -19.019 -23.206 1.00 65.12 H new ATOM 0 HH11 ARG A 42 -9.946 -19.448 -26.332 1.00 5.52 H new ATOM 0 HH12 ARG A 42 -9.066 -20.935 -26.701 1.00 5.52 H new ATOM 0 HH21 ARG A 42 -7.232 -20.929 -23.691 1.00 74.13 H new ATOM 0 HH22 ARG A 42 -7.540 -21.767 -25.215 1.00 74.13 H new ATOM 655 N PRO A 43 -8.405 -15.630 -19.509 1.00 72.45 N ATOM 656 CA PRO A 43 -7.283 -14.682 -19.335 1.00 71.11 C ATOM 657 C PRO A 43 -6.376 -14.632 -20.586 1.00 30.10 C ATOM 658 O PRO A 43 -5.770 -15.644 -20.965 1.00 11.35 O ATOM 659 CB PRO A 43 -6.533 -15.226 -18.086 1.00 31.14 C ATOM 660 CG PRO A 43 -6.955 -16.665 -17.966 1.00 63.15 C ATOM 661 CD PRO A 43 -8.370 -16.724 -18.494 1.00 4.01 C ATOM 0 HA PRO A 43 -7.616 -13.653 -19.202 1.00 71.11 H new ATOM 0 HB2 PRO A 43 -5.453 -15.142 -18.208 1.00 31.14 H new ATOM 0 HB3 PRO A 43 -6.798 -14.662 -17.191 1.00 31.14 H new ATOM 0 HG2 PRO A 43 -6.296 -17.315 -18.541 1.00 63.15 H new ATOM 0 HG3 PRO A 43 -6.910 -17.001 -16.930 1.00 63.15 H new ATOM 0 HD2 PRO A 43 -8.593 -17.693 -18.940 1.00 4.01 H new ATOM 0 HD3 PRO A 43 -9.102 -16.562 -17.702 1.00 4.01 H new ATOM 669 N PHE A 44 -6.302 -13.452 -21.227 1.00 71.11 N ATOM 670 CA PHE A 44 -5.497 -13.237 -22.447 1.00 21.31 C ATOM 671 C PHE A 44 -4.044 -12.911 -22.059 1.00 40.23 C ATOM 672 O PHE A 44 -3.503 -11.848 -22.370 1.00 4.24 O ATOM 673 CB PHE A 44 -6.142 -12.122 -23.321 1.00 64.13 C ATOM 674 CG PHE A 44 -7.589 -12.426 -23.688 1.00 65.02 C ATOM 675 CD1 PHE A 44 -7.886 -13.415 -24.612 1.00 33.05 C ATOM 676 CD2 PHE A 44 -8.644 -11.755 -23.078 1.00 75.02 C ATOM 677 CE1 PHE A 44 -9.197 -13.723 -24.921 1.00 41.44 C ATOM 678 CE2 PHE A 44 -9.955 -12.066 -23.378 1.00 4.21 C ATOM 679 CZ PHE A 44 -10.231 -13.049 -24.304 1.00 1.12 C ATOM 0 H PHE A 44 -6.799 -12.618 -20.915 1.00 71.11 H new ATOM 0 HA PHE A 44 -5.480 -14.147 -23.047 1.00 21.31 H new ATOM 0 HB2 PHE A 44 -6.099 -11.175 -22.784 1.00 64.13 H new ATOM 0 HB3 PHE A 44 -5.558 -11.998 -24.233 1.00 64.13 H new ATOM 0 HD1 PHE A 44 -7.083 -13.951 -25.096 1.00 33.05 H new ATOM 0 HD2 PHE A 44 -8.434 -10.978 -22.358 1.00 75.02 H new ATOM 0 HE1 PHE A 44 -9.413 -14.493 -25.647 1.00 41.44 H new ATOM 0 HE2 PHE A 44 -10.762 -11.541 -22.889 1.00 4.21 H new ATOM 0 HZ PHE A 44 -11.255 -13.291 -24.546 1.00 1.12 H new ATOM 689 N HIS A 45 -3.427 -13.881 -21.358 1.00 42.33 N ATOM 690 CA HIS A 45 -2.038 -13.819 -20.885 1.00 73.00 C ATOM 691 C HIS A 45 -1.133 -14.394 -21.976 1.00 12.34 C ATOM 692 O HIS A 45 -1.400 -15.491 -22.479 1.00 5.53 O ATOM 693 CB HIS A 45 -1.897 -14.614 -19.547 1.00 33.05 C ATOM 694 CG HIS A 45 -0.480 -14.943 -19.149 1.00 42.23 C ATOM 695 ND1 HIS A 45 0.068 -16.197 -19.322 1.00 35.24 N ATOM 696 CD2 HIS A 45 0.503 -14.186 -18.606 1.00 64.12 C ATOM 697 CE1 HIS A 45 1.315 -16.196 -18.906 1.00 62.41 C ATOM 698 NE2 HIS A 45 1.604 -14.989 -18.464 1.00 21.43 N ATOM 0 H HIS A 45 -3.896 -14.750 -21.100 1.00 42.33 H new ATOM 0 HA HIS A 45 -1.745 -12.788 -20.686 1.00 73.00 H new ATOM 0 HB2 HIS A 45 -2.358 -14.035 -18.747 1.00 33.05 H new ATOM 0 HB3 HIS A 45 -2.460 -15.544 -19.633 1.00 33.05 H new ATOM 0 HD2 HIS A 45 0.432 -13.143 -18.335 1.00 64.12 H new ATOM 0 HE1 HIS A 45 1.988 -17.041 -18.924 1.00 62.41 H new ATOM 0 HE2 HIS A 45 2.503 -14.699 -18.078 1.00 21.43 H new ATOM 707 N CYS A 46 -0.070 -13.645 -22.322 1.00 63.42 N ATOM 708 CA CYS A 46 0.817 -13.956 -23.455 1.00 63.33 C ATOM 709 C CYS A 46 1.534 -15.312 -23.276 1.00 70.21 C ATOM 710 O CYS A 46 1.062 -16.317 -23.829 1.00 75.02 O ATOM 711 CB CYS A 46 1.819 -12.799 -23.644 1.00 2.52 C ATOM 712 SG CYS A 46 2.850 -12.921 -25.147 1.00 55.41 S ATOM 0 H CYS A 46 0.199 -12.800 -21.818 1.00 63.42 H new ATOM 0 HA CYS A 46 0.213 -14.055 -24.357 1.00 63.33 H new ATOM 0 HB2 CYS A 46 1.267 -11.860 -23.674 1.00 2.52 H new ATOM 0 HB3 CYS A 46 2.473 -12.757 -22.773 1.00 2.52 H new ATOM 0 HG CYS A 46 3.843 -12.087 -25.061 1.00 55.41 H new ATOM 717 N ASN A 47 2.637 -15.337 -22.474 1.00 60.23 N ATOM 718 CA ASN A 47 3.403 -16.576 -22.196 1.00 71.40 C ATOM 719 C ASN A 47 4.541 -16.307 -21.181 1.00 13.24 C ATOM 720 O ASN A 47 4.440 -16.692 -20.012 1.00 53.33 O ATOM 721 CB ASN A 47 3.983 -17.214 -23.519 1.00 71.15 C ATOM 722 CG ASN A 47 4.561 -18.638 -23.345 1.00 13.11 C ATOM 723 OD1 ASN A 47 5.121 -18.997 -22.311 1.00 41.10 O ATOM 724 ND2 ASN A 47 4.396 -19.477 -24.356 1.00 34.14 N ATOM 0 H ASN A 47 3.011 -14.509 -22.011 1.00 60.23 H new ATOM 0 HA ASN A 47 2.709 -17.293 -21.758 1.00 71.40 H new ATOM 0 HB2 ASN A 47 3.193 -17.246 -24.269 1.00 71.15 H new ATOM 0 HB3 ASN A 47 4.766 -16.563 -23.908 1.00 71.15 H new ATOM 0 HD21 ASN A 47 4.735 -20.436 -24.283 1.00 34.14 H new ATOM 0 HD22 ASN A 47 3.929 -19.164 -25.207 1.00 34.14 H new ATOM 731 N GLN A 48 5.602 -15.617 -21.639 1.00 73.24 N ATOM 732 CA GLN A 48 6.899 -15.526 -20.914 1.00 63.15 C ATOM 733 C GLN A 48 7.436 -14.079 -20.837 1.00 65.32 C ATOM 734 O GLN A 48 8.487 -13.837 -20.227 1.00 35.33 O ATOM 735 CB GLN A 48 7.921 -16.463 -21.617 1.00 32.13 C ATOM 736 CG GLN A 48 8.098 -16.198 -23.126 1.00 13.01 C ATOM 737 CD GLN A 48 9.103 -17.142 -23.784 1.00 40.21 C ATOM 738 OE1 GLN A 48 10.297 -16.852 -23.861 1.00 30.02 O ATOM 739 NE2 GLN A 48 8.633 -18.284 -24.260 1.00 75.44 N ATOM 0 H GLN A 48 5.592 -15.104 -22.521 1.00 73.24 H new ATOM 0 HA GLN A 48 6.744 -15.842 -19.882 1.00 63.15 H new ATOM 0 HB2 GLN A 48 8.889 -16.358 -21.126 1.00 32.13 H new ATOM 0 HB3 GLN A 48 7.604 -17.496 -21.477 1.00 32.13 H new ATOM 0 HG2 GLN A 48 7.133 -16.300 -23.623 1.00 13.01 H new ATOM 0 HG3 GLN A 48 8.425 -15.169 -23.273 1.00 13.01 H new ATOM 0 HE21 GLN A 48 7.639 -18.498 -24.182 1.00 75.44 H new ATOM 0 HE22 GLN A 48 9.265 -18.950 -24.704 1.00 75.44 H new ATOM 748 N CYS A 49 6.695 -13.126 -21.438 1.00 62.52 N ATOM 749 CA CYS A 49 7.088 -11.702 -21.502 1.00 2.21 C ATOM 750 C CYS A 49 6.540 -10.895 -20.297 1.00 12.25 C ATOM 751 O CYS A 49 6.829 -9.700 -20.166 1.00 22.44 O ATOM 752 CB CYS A 49 6.569 -11.116 -22.820 1.00 72.04 C ATOM 753 SG CYS A 49 4.785 -11.414 -23.068 1.00 33.22 S ATOM 0 H CYS A 49 5.804 -13.322 -21.894 1.00 62.52 H new ATOM 0 HA CYS A 49 8.175 -11.634 -21.457 1.00 2.21 H new ATOM 0 HB2 CYS A 49 6.760 -10.043 -22.836 1.00 72.04 H new ATOM 0 HB3 CYS A 49 7.125 -11.551 -23.650 1.00 72.04 H new ATOM 0 HG CYS A 49 4.369 -10.729 -24.091 1.00 33.22 H new ATOM 758 N GLY A 50 5.728 -11.549 -19.452 1.00 43.53 N ATOM 759 CA GLY A 50 5.132 -10.906 -18.270 1.00 1.42 C ATOM 760 C GLY A 50 3.821 -10.189 -18.575 1.00 11.03 C ATOM 761 O GLY A 50 3.155 -9.693 -17.657 1.00 31.54 O ATOM 0 H GLY A 50 5.468 -12.529 -19.566 1.00 43.53 H new ATOM 0 HA2 GLY A 50 4.956 -11.661 -17.503 1.00 1.42 H new ATOM 0 HA3 GLY A 50 5.843 -10.190 -17.856 1.00 1.42 H new ATOM 765 N ALA A 51 3.449 -10.149 -19.861 1.00 24.31 N ATOM 766 CA ALA A 51 2.243 -9.454 -20.325 1.00 45.33 C ATOM 767 C ALA A 51 0.990 -10.325 -20.147 1.00 22.15 C ATOM 768 O ALA A 51 1.005 -11.528 -20.451 1.00 52.14 O ATOM 769 CB ALA A 51 2.404 -9.036 -21.786 1.00 41.14 C ATOM 0 H ALA A 51 3.977 -10.598 -20.609 1.00 24.31 H new ATOM 0 HA ALA A 51 2.113 -8.560 -19.715 1.00 45.33 H new ATOM 0 HB1 ALA A 51 1.503 -8.521 -22.119 1.00 41.14 H new ATOM 0 HB2 ALA A 51 3.260 -8.367 -21.881 1.00 41.14 H new ATOM 0 HB3 ALA A 51 2.565 -9.921 -22.402 1.00 41.14 H new ATOM 775 N SER A 52 -0.092 -9.690 -19.678 1.00 23.35 N ATOM 776 CA SER A 52 -1.370 -10.348 -19.387 1.00 51.32 C ATOM 777 C SER A 52 -2.503 -9.332 -19.602 1.00 32.11 C ATOM 778 O SER A 52 -2.452 -8.229 -19.048 1.00 1.25 O ATOM 779 CB SER A 52 -1.358 -10.879 -17.934 1.00 12.10 C ATOM 780 OG SER A 52 -2.536 -11.589 -17.641 1.00 44.22 O ATOM 0 H SER A 52 -0.103 -8.688 -19.487 1.00 23.35 H new ATOM 0 HA SER A 52 -1.527 -11.197 -20.052 1.00 51.32 H new ATOM 0 HB2 SER A 52 -0.494 -11.527 -17.788 1.00 12.10 H new ATOM 0 HB3 SER A 52 -1.251 -10.045 -17.240 1.00 12.10 H new ATOM 0 HG SER A 52 -2.501 -11.914 -16.717 1.00 44.22 H new ATOM 786 N PHE A 53 -3.530 -9.700 -20.398 1.00 0.13 N ATOM 787 CA PHE A 53 -4.563 -8.750 -20.869 1.00 40.45 C ATOM 788 C PHE A 53 -5.980 -9.291 -20.595 1.00 71.54 C ATOM 789 O PHE A 53 -6.175 -10.499 -20.454 1.00 45.20 O ATOM 790 CB PHE A 53 -4.384 -8.480 -22.393 1.00 72.11 C ATOM 791 CG PHE A 53 -2.974 -8.032 -22.790 1.00 52.40 C ATOM 792 CD1 PHE A 53 -2.523 -6.743 -22.506 1.00 1.02 C ATOM 793 CD2 PHE A 53 -2.098 -8.906 -23.442 1.00 50.31 C ATOM 794 CE1 PHE A 53 -1.252 -6.345 -22.860 1.00 11.45 C ATOM 795 CE2 PHE A 53 -0.827 -8.503 -23.794 1.00 5.15 C ATOM 796 CZ PHE A 53 -0.406 -7.223 -23.505 1.00 14.51 C ATOM 0 H PHE A 53 -3.667 -10.655 -20.730 1.00 0.13 H new ATOM 0 HA PHE A 53 -4.441 -7.816 -20.320 1.00 40.45 H new ATOM 0 HB2 PHE A 53 -4.633 -9.387 -22.943 1.00 72.11 H new ATOM 0 HB3 PHE A 53 -5.096 -7.715 -22.701 1.00 72.11 H new ATOM 0 HD1 PHE A 53 -3.178 -6.048 -22.002 1.00 1.02 H new ATOM 0 HD2 PHE A 53 -2.421 -9.910 -23.673 1.00 50.31 H new ATOM 0 HE1 PHE A 53 -0.918 -5.344 -22.632 1.00 11.45 H new ATOM 0 HE2 PHE A 53 -0.162 -9.190 -24.296 1.00 5.15 H new ATOM 0 HZ PHE A 53 0.588 -6.907 -23.784 1.00 14.51 H new ATOM 806 N THR A 54 -6.953 -8.375 -20.520 1.00 53.14 N ATOM 807 CA THR A 54 -8.390 -8.712 -20.419 1.00 71.10 C ATOM 808 C THR A 54 -9.069 -8.549 -21.806 1.00 52.50 C ATOM 809 O THR A 54 -10.240 -8.893 -21.982 1.00 33.12 O ATOM 810 CB THR A 54 -9.094 -7.820 -19.330 1.00 44.23 C ATOM 811 OG1 THR A 54 -10.463 -8.230 -19.147 1.00 64.31 O ATOM 812 CG2 THR A 54 -9.050 -6.319 -19.683 1.00 2.05 C ATOM 0 H THR A 54 -6.771 -7.371 -20.527 1.00 53.14 H new ATOM 0 HA THR A 54 -8.490 -9.752 -20.107 1.00 71.10 H new ATOM 0 HB THR A 54 -8.540 -7.962 -18.402 1.00 44.23 H new ATOM 0 HG1 THR A 54 -10.774 -8.698 -19.950 1.00 64.31 H new ATOM 0 HG21 THR A 54 -9.549 -5.747 -18.901 1.00 2.05 H new ATOM 0 HG22 THR A 54 -8.013 -5.995 -19.765 1.00 2.05 H new ATOM 0 HG23 THR A 54 -9.558 -6.154 -20.633 1.00 2.05 H new ATOM 820 N GLN A 55 -8.301 -8.041 -22.796 1.00 43.02 N ATOM 821 CA GLN A 55 -8.776 -7.824 -24.176 1.00 23.05 C ATOM 822 C GLN A 55 -7.930 -8.610 -25.181 1.00 70.53 C ATOM 823 O GLN A 55 -6.705 -8.705 -25.022 1.00 44.11 O ATOM 824 CB GLN A 55 -8.724 -6.310 -24.539 1.00 61.34 C ATOM 825 CG GLN A 55 -9.602 -5.393 -23.652 1.00 75.24 C ATOM 826 CD GLN A 55 -11.103 -5.705 -23.698 1.00 22.22 C ATOM 827 OE1 GLN A 55 -11.811 -5.532 -22.708 1.00 52.10 O ATOM 828 NE2 GLN A 55 -11.616 -6.115 -24.850 1.00 33.01 N ATOM 0 H GLN A 55 -7.328 -7.769 -22.656 1.00 43.02 H new ATOM 0 HA GLN A 55 -9.806 -8.177 -24.228 1.00 23.05 H new ATOM 0 HB2 GLN A 55 -7.690 -5.972 -24.473 1.00 61.34 H new ATOM 0 HB3 GLN A 55 -9.033 -6.190 -25.577 1.00 61.34 H new ATOM 0 HG2 GLN A 55 -9.260 -5.472 -22.620 1.00 75.24 H new ATOM 0 HG3 GLN A 55 -9.450 -4.359 -23.960 1.00 75.24 H new ATOM 0 HE21 GLN A 55 -11.009 -6.252 -25.658 1.00 33.01 H new ATOM 0 HE22 GLN A 55 -12.617 -6.294 -24.928 1.00 33.01 H new ATOM 837 N LYS A 56 -8.592 -9.162 -26.217 1.00 52.41 N ATOM 838 CA LYS A 56 -7.902 -9.721 -27.390 1.00 5.45 C ATOM 839 C LYS A 56 -7.190 -8.615 -28.156 1.00 32.14 C ATOM 840 O LYS A 56 -6.117 -8.850 -28.664 1.00 31.15 O ATOM 841 CB LYS A 56 -8.864 -10.466 -28.352 1.00 30.22 C ATOM 842 CG LYS A 56 -9.429 -11.794 -27.817 1.00 70.42 C ATOM 843 CD LYS A 56 -10.314 -12.523 -28.857 1.00 31.22 C ATOM 844 CE LYS A 56 -10.935 -13.818 -28.314 1.00 31.25 C ATOM 845 NZ LYS A 56 -11.857 -14.449 -29.297 1.00 64.44 N ATOM 0 H LYS A 56 -9.609 -9.231 -26.262 1.00 52.41 H new ATOM 0 HA LYS A 56 -7.182 -10.447 -27.012 1.00 5.45 H new ATOM 0 HB2 LYS A 56 -9.697 -9.805 -28.590 1.00 30.22 H new ATOM 0 HB3 LYS A 56 -8.337 -10.664 -29.285 1.00 30.22 H new ATOM 0 HG2 LYS A 56 -8.605 -12.445 -27.526 1.00 70.42 H new ATOM 0 HG3 LYS A 56 -10.015 -11.600 -26.918 1.00 70.42 H new ATOM 0 HD2 LYS A 56 -11.110 -11.853 -29.182 1.00 31.22 H new ATOM 0 HD3 LYS A 56 -9.714 -12.755 -29.737 1.00 31.22 H new ATOM 0 HE2 LYS A 56 -10.142 -14.521 -28.058 1.00 31.25 H new ATOM 0 HE3 LYS A 56 -11.479 -13.602 -27.394 1.00 31.25 H new ATOM 0 HZ1 LYS A 56 -12.254 -15.320 -28.891 1.00 64.44 H new ATOM 0 HZ2 LYS A 56 -12.628 -13.789 -29.523 1.00 64.44 H new ATOM 0 HZ3 LYS A 56 -11.333 -14.680 -30.166 1.00 64.44 H new ATOM 859 N GLY A 57 -7.805 -7.415 -28.217 1.00 52.44 N ATOM 860 CA GLY A 57 -7.244 -6.271 -28.942 1.00 33.32 C ATOM 861 C GLY A 57 -5.790 -5.988 -28.576 1.00 3.51 C ATOM 862 O GLY A 57 -4.931 -5.899 -29.451 1.00 25.33 O ATOM 0 H GLY A 57 -8.699 -7.219 -27.766 1.00 52.44 H new ATOM 0 HA2 GLY A 57 -7.313 -6.458 -30.014 1.00 33.32 H new ATOM 0 HA3 GLY A 57 -7.844 -5.386 -28.733 1.00 33.32 H new ATOM 866 N ASN A 58 -5.524 -5.922 -27.258 1.00 50.12 N ATOM 867 CA ASN A 58 -4.175 -5.679 -26.717 1.00 31.14 C ATOM 868 C ASN A 58 -3.254 -6.900 -26.941 1.00 54.35 C ATOM 869 O ASN A 58 -2.080 -6.733 -27.284 1.00 64.44 O ATOM 870 CB ASN A 58 -4.252 -5.335 -25.208 1.00 44.11 C ATOM 871 CG ASN A 58 -5.063 -4.068 -24.916 1.00 5.22 C ATOM 872 OD1 ASN A 58 -6.264 -4.132 -24.684 1.00 14.31 O ATOM 873 ND2 ASN A 58 -4.420 -2.911 -24.946 1.00 31.21 N ATOM 0 H ASN A 58 -6.239 -6.036 -26.539 1.00 50.12 H new ATOM 0 HA ASN A 58 -3.748 -4.831 -27.252 1.00 31.14 H new ATOM 0 HB2 ASN A 58 -4.697 -6.174 -24.673 1.00 44.11 H new ATOM 0 HB3 ASN A 58 -3.242 -5.209 -24.819 1.00 44.11 H new ATOM 0 HD21 ASN A 58 -4.925 -2.042 -24.773 1.00 31.21 H new ATOM 0 HD22 ASN A 58 -3.419 -2.889 -25.142 1.00 31.21 H new ATOM 880 N LEU A 59 -3.814 -8.120 -26.752 1.00 74.03 N ATOM 881 CA LEU A 59 -3.075 -9.392 -26.928 1.00 40.42 C ATOM 882 C LEU A 59 -2.568 -9.542 -28.378 1.00 34.23 C ATOM 883 O LEU A 59 -1.417 -9.915 -28.605 1.00 40.21 O ATOM 884 CB LEU A 59 -3.975 -10.603 -26.558 1.00 2.53 C ATOM 885 CG LEU A 59 -3.301 -12.017 -26.644 1.00 15.45 C ATOM 886 CD1 LEU A 59 -2.158 -12.172 -25.615 1.00 73.31 C ATOM 887 CD2 LEU A 59 -4.345 -13.142 -26.504 1.00 22.44 C ATOM 0 H LEU A 59 -4.787 -8.248 -26.474 1.00 74.03 H new ATOM 0 HA LEU A 59 -2.214 -9.371 -26.259 1.00 40.42 H new ATOM 0 HB2 LEU A 59 -4.342 -10.459 -25.542 1.00 2.53 H new ATOM 0 HB3 LEU A 59 -4.845 -10.597 -27.215 1.00 2.53 H new ATOM 0 HG LEU A 59 -2.853 -12.104 -27.634 1.00 15.45 H new ATOM 0 HD11 LEU A 59 -1.718 -13.165 -25.707 1.00 73.31 H new ATOM 0 HD12 LEU A 59 -1.394 -11.417 -25.803 1.00 73.31 H new ATOM 0 HD13 LEU A 59 -2.555 -12.043 -24.608 1.00 73.31 H new ATOM 0 HD21 LEU A 59 -3.848 -14.110 -26.568 1.00 22.44 H new ATOM 0 HD22 LEU A 59 -4.847 -13.055 -25.540 1.00 22.44 H new ATOM 0 HD23 LEU A 59 -5.080 -13.058 -27.305 1.00 22.44 H new ATOM 899 N LEU A 60 -3.439 -9.192 -29.343 1.00 53.21 N ATOM 900 CA LEU A 60 -3.207 -9.403 -30.777 1.00 13.35 C ATOM 901 C LEU A 60 -2.115 -8.455 -31.307 1.00 20.41 C ATOM 902 O LEU A 60 -1.426 -8.794 -32.267 1.00 62.45 O ATOM 903 CB LEU A 60 -4.527 -9.232 -31.583 1.00 42.22 C ATOM 904 CG LEU A 60 -5.639 -10.307 -31.338 1.00 54.15 C ATOM 905 CD1 LEU A 60 -6.903 -10.010 -32.176 1.00 5.13 C ATOM 906 CD2 LEU A 60 -5.121 -11.735 -31.601 1.00 1.11 C ATOM 0 H LEU A 60 -4.335 -8.749 -29.141 1.00 53.21 H new ATOM 0 HA LEU A 60 -2.857 -10.426 -30.912 1.00 13.35 H new ATOM 0 HB2 LEU A 60 -4.943 -8.252 -31.352 1.00 42.22 H new ATOM 0 HB3 LEU A 60 -4.281 -9.232 -32.645 1.00 42.22 H new ATOM 0 HG LEU A 60 -5.915 -10.249 -30.285 1.00 54.15 H new ATOM 0 HD11 LEU A 60 -7.655 -10.775 -31.983 1.00 5.13 H new ATOM 0 HD12 LEU A 60 -7.300 -9.033 -31.902 1.00 5.13 H new ATOM 0 HD13 LEU A 60 -6.646 -10.013 -33.235 1.00 5.13 H new ATOM 0 HD21 LEU A 60 -5.922 -12.452 -31.420 1.00 1.11 H new ATOM 0 HD22 LEU A 60 -4.788 -11.816 -32.636 1.00 1.11 H new ATOM 0 HD23 LEU A 60 -4.286 -11.948 -30.933 1.00 1.11 H new ATOM 918 N ARG A 61 -1.983 -7.270 -30.683 1.00 22.22 N ATOM 919 CA ARG A 61 -0.922 -6.304 -31.028 1.00 14.04 C ATOM 920 C ARG A 61 0.434 -6.795 -30.490 1.00 1.31 C ATOM 921 O ARG A 61 1.460 -6.712 -31.173 1.00 14.52 O ATOM 922 CB ARG A 61 -1.226 -4.895 -30.439 1.00 53.32 C ATOM 923 CG ARG A 61 -2.584 -4.293 -30.854 1.00 63.45 C ATOM 924 CD ARG A 61 -2.863 -4.411 -32.362 1.00 15.33 C ATOM 925 NE ARG A 61 -4.069 -3.671 -32.758 1.00 0.05 N ATOM 926 CZ ARG A 61 -5.007 -4.105 -33.605 1.00 30.31 C ATOM 927 NH1 ARG A 61 -4.923 -5.305 -34.175 1.00 1.14 N ATOM 928 NH2 ARG A 61 -6.020 -3.319 -33.906 1.00 21.22 N ATOM 0 H ARG A 61 -2.601 -6.957 -29.934 1.00 22.22 H new ATOM 0 HA ARG A 61 -0.884 -6.226 -32.115 1.00 14.04 H new ATOM 0 HB2 ARG A 61 -1.191 -4.957 -29.351 1.00 53.32 H new ATOM 0 HB3 ARG A 61 -0.434 -4.211 -30.745 1.00 53.32 H new ATOM 0 HG2 ARG A 61 -3.380 -4.794 -30.303 1.00 63.45 H new ATOM 0 HG3 ARG A 61 -2.611 -3.242 -30.567 1.00 63.45 H new ATOM 0 HD2 ARG A 61 -2.006 -4.033 -32.920 1.00 15.33 H new ATOM 0 HD3 ARG A 61 -2.979 -5.462 -32.628 1.00 15.33 H new ATOM 0 HE ARG A 61 -4.202 -2.745 -32.351 1.00 0.05 H new ATOM 0 HH11 ARG A 61 -4.131 -5.914 -33.968 1.00 1.14 H new ATOM 0 HH12 ARG A 61 -5.651 -5.616 -34.819 1.00 1.14 H new ATOM 0 HH21 ARG A 61 -6.083 -2.388 -33.494 1.00 21.22 H new ATOM 0 HH22 ARG A 61 -6.741 -3.641 -34.552 1.00 21.22 H new ATOM 942 N HIS A 62 0.379 -7.327 -29.266 1.00 42.30 N ATOM 943 CA HIS A 62 1.547 -7.738 -28.485 1.00 31.40 C ATOM 944 C HIS A 62 2.296 -8.928 -29.134 1.00 1.42 C ATOM 945 O HIS A 62 3.522 -8.904 -29.270 1.00 34.02 O ATOM 946 CB HIS A 62 1.061 -8.093 -27.061 1.00 41.21 C ATOM 947 CG HIS A 62 2.120 -8.650 -26.169 1.00 71.03 C ATOM 948 ND1 HIS A 62 3.084 -7.894 -25.554 1.00 50.44 N ATOM 949 CD2 HIS A 62 2.366 -9.929 -25.826 1.00 32.01 C ATOM 950 CE1 HIS A 62 3.874 -8.714 -24.881 1.00 72.53 C ATOM 951 NE2 HIS A 62 3.478 -9.967 -25.010 1.00 71.05 N ATOM 0 H HIS A 62 -0.503 -7.488 -28.779 1.00 42.30 H new ATOM 0 HA HIS A 62 2.265 -6.919 -28.449 1.00 31.40 H new ATOM 0 HB2 HIS A 62 0.647 -7.197 -26.598 1.00 41.21 H new ATOM 0 HB3 HIS A 62 0.250 -8.817 -27.137 1.00 41.21 H new ATOM 0 HD1 HIS A 62 3.176 -6.879 -25.606 1.00 50.44 H new ATOM 0 HD2 HIS A 62 1.787 -10.785 -26.139 1.00 32.01 H new ATOM 0 HE1 HIS A 62 4.730 -8.400 -24.302 1.00 72.53 H new ATOM 959 N ILE A 63 1.526 -9.961 -29.516 1.00 3.00 N ATOM 960 CA ILE A 63 2.065 -11.232 -30.050 1.00 71.50 C ATOM 961 C ILE A 63 2.854 -11.037 -31.365 1.00 14.54 C ATOM 962 O ILE A 63 3.770 -11.817 -31.659 1.00 44.14 O ATOM 963 CB ILE A 63 0.920 -12.290 -30.249 1.00 41.14 C ATOM 964 CG1 ILE A 63 -0.175 -11.754 -31.233 1.00 24.24 C ATOM 965 CG2 ILE A 63 0.309 -12.688 -28.883 1.00 13.51 C ATOM 966 CD1 ILE A 63 -1.376 -12.672 -31.427 1.00 2.31 C ATOM 0 H ILE A 63 0.507 -9.942 -29.464 1.00 3.00 H new ATOM 0 HA ILE A 63 2.768 -11.608 -29.306 1.00 71.50 H new ATOM 0 HB ILE A 63 1.351 -13.185 -30.698 1.00 41.14 H new ATOM 0 HG12 ILE A 63 -0.529 -10.790 -30.867 1.00 24.24 H new ATOM 0 HG13 ILE A 63 0.287 -11.576 -32.204 1.00 24.24 H new ATOM 0 HG21 ILE A 63 -0.482 -13.421 -29.038 1.00 13.51 H new ATOM 0 HG22 ILE A 63 1.084 -13.119 -28.250 1.00 13.51 H new ATOM 0 HG23 ILE A 63 -0.105 -11.804 -28.398 1.00 13.51 H new ATOM 0 HD11 ILE A 63 -2.076 -12.213 -32.125 1.00 2.31 H new ATOM 0 HD12 ILE A 63 -1.041 -13.629 -31.826 1.00 2.31 H new ATOM 0 HD13 ILE A 63 -1.871 -12.831 -30.469 1.00 2.31 H new ATOM 978 N LYS A 64 2.500 -9.985 -32.127 1.00 61.31 N ATOM 979 CA LYS A 64 3.151 -9.641 -33.402 1.00 61.01 C ATOM 980 C LYS A 64 4.646 -9.326 -33.209 1.00 31.44 C ATOM 981 O LYS A 64 5.485 -9.719 -34.035 1.00 73.12 O ATOM 982 CB LYS A 64 2.439 -8.429 -34.049 1.00 3.25 C ATOM 983 CG LYS A 64 0.953 -8.665 -34.361 1.00 35.32 C ATOM 984 CD LYS A 64 0.329 -7.515 -35.182 1.00 41.22 C ATOM 985 CE LYS A 64 0.861 -7.447 -36.627 1.00 35.12 C ATOM 986 NZ LYS A 64 0.515 -8.666 -37.413 1.00 42.10 N ATOM 0 H LYS A 64 1.748 -9.346 -31.871 1.00 61.31 H new ATOM 0 HA LYS A 64 3.072 -10.507 -34.060 1.00 61.01 H new ATOM 0 HB2 LYS A 64 2.527 -7.571 -33.382 1.00 3.25 H new ATOM 0 HB3 LYS A 64 2.956 -8.169 -34.973 1.00 3.25 H new ATOM 0 HG2 LYS A 64 0.845 -9.600 -34.911 1.00 35.32 H new ATOM 0 HG3 LYS A 64 0.403 -8.780 -33.427 1.00 35.32 H new ATOM 0 HD2 LYS A 64 -0.754 -7.639 -35.205 1.00 41.22 H new ATOM 0 HD3 LYS A 64 0.531 -6.568 -34.682 1.00 41.22 H new ATOM 0 HE2 LYS A 64 0.449 -6.568 -37.123 1.00 35.12 H new ATOM 0 HE3 LYS A 64 1.944 -7.324 -36.608 1.00 35.12 H new ATOM 0 HZ1 LYS A 64 0.741 -8.508 -38.416 1.00 42.10 H new ATOM 0 HZ2 LYS A 64 1.063 -9.475 -37.058 1.00 42.10 H new ATOM 0 HZ3 LYS A 64 -0.501 -8.866 -37.314 1.00 42.10 H new ATOM 1000 N LEU A 65 4.960 -8.642 -32.099 1.00 22.25 N ATOM 1001 CA LEU A 65 6.337 -8.239 -31.752 1.00 61.53 C ATOM 1002 C LEU A 65 7.228 -9.474 -31.474 1.00 33.51 C ATOM 1003 O LEU A 65 8.439 -9.456 -31.742 1.00 21.10 O ATOM 1004 CB LEU A 65 6.330 -7.260 -30.550 1.00 52.11 C ATOM 1005 CG LEU A 65 5.941 -5.775 -30.879 1.00 51.32 C ATOM 1006 CD1 LEU A 65 4.559 -5.655 -31.555 1.00 70.03 C ATOM 1007 CD2 LEU A 65 6.017 -4.909 -29.613 1.00 41.34 C ATOM 0 H LEU A 65 4.265 -8.350 -31.412 1.00 22.25 H new ATOM 0 HA LEU A 65 6.767 -7.717 -32.607 1.00 61.53 H new ATOM 0 HB2 LEU A 65 5.636 -7.640 -29.801 1.00 52.11 H new ATOM 0 HB3 LEU A 65 7.321 -7.264 -30.097 1.00 52.11 H new ATOM 0 HG LEU A 65 6.668 -5.406 -31.603 1.00 51.32 H new ATOM 0 HD11 LEU A 65 4.344 -4.606 -31.759 1.00 70.03 H new ATOM 0 HD12 LEU A 65 4.562 -6.213 -32.491 1.00 70.03 H new ATOM 0 HD13 LEU A 65 3.794 -6.061 -30.893 1.00 70.03 H new ATOM 0 HD21 LEU A 65 5.745 -3.882 -29.858 1.00 41.34 H new ATOM 0 HD22 LEU A 65 5.328 -5.299 -28.864 1.00 41.34 H new ATOM 0 HD23 LEU A 65 7.033 -4.931 -29.218 1.00 41.34 H new ATOM 1019 N HIS A 66 6.594 -10.562 -30.990 1.00 50.14 N ATOM 1020 CA HIS A 66 7.259 -11.852 -30.719 1.00 51.12 C ATOM 1021 C HIS A 66 7.478 -12.626 -32.034 1.00 33.25 C ATOM 1022 O HIS A 66 8.434 -13.397 -32.163 1.00 71.23 O ATOM 1023 CB HIS A 66 6.403 -12.728 -29.753 1.00 1.33 C ATOM 1024 CG HIS A 66 6.137 -12.113 -28.413 1.00 53.05 C ATOM 1025 ND1 HIS A 66 7.053 -11.371 -27.715 1.00 2.43 N ATOM 1026 CD2 HIS A 66 5.043 -12.200 -27.622 1.00 71.43 C ATOM 1027 CE1 HIS A 66 6.515 -11.017 -26.548 1.00 14.10 C ATOM 1028 NE2 HIS A 66 5.282 -11.501 -26.440 1.00 74.25 N ATOM 0 H HIS A 66 5.597 -10.569 -30.775 1.00 50.14 H new ATOM 0 HA HIS A 66 8.220 -11.639 -30.251 1.00 51.12 H new ATOM 0 HB2 HIS A 66 5.449 -12.946 -30.233 1.00 1.33 H new ATOM 0 HB3 HIS A 66 6.910 -13.681 -29.605 1.00 1.33 H new ATOM 0 HD1 HIS A 66 7.991 -11.130 -28.035 1.00 2.43 H new ATOM 0 HD2 HIS A 66 4.132 -12.726 -27.867 1.00 71.43 H new ATOM 0 HE1 HIS A 66 7.011 -10.421 -25.796 1.00 14.10 H new ATOM 1036 N SER A 67 6.596 -12.366 -33.005 1.00 21.22 N ATOM 1037 CA SER A 67 6.533 -13.099 -34.273 1.00 4.40 C ATOM 1038 C SER A 67 7.437 -12.479 -35.364 1.00 32.32 C ATOM 1039 O SER A 67 7.251 -12.744 -36.556 1.00 73.02 O ATOM 1040 CB SER A 67 5.066 -13.124 -34.732 1.00 43.30 C ATOM 1041 OG SER A 67 4.230 -13.683 -33.743 1.00 14.13 O ATOM 0 H SER A 67 5.895 -11.629 -32.930 1.00 21.22 H new ATOM 0 HA SER A 67 6.907 -14.111 -34.114 1.00 4.40 H new ATOM 0 HB2 SER A 67 4.736 -12.110 -34.960 1.00 43.30 H new ATOM 0 HB3 SER A 67 4.980 -13.701 -35.653 1.00 43.30 H new ATOM 0 HG SER A 67 4.083 -13.027 -33.030 1.00 14.13 H new ATOM 1047 N GLY A 68 8.427 -11.668 -34.950 1.00 55.21 N ATOM 1048 CA GLY A 68 9.386 -11.053 -35.874 1.00 21.31 C ATOM 1049 C GLY A 68 9.265 -9.544 -35.925 1.00 33.22 C ATOM 1050 O GLY A 68 9.423 -8.946 -36.998 1.00 5.30 O ATOM 0 H GLY A 68 8.581 -11.424 -33.972 1.00 55.21 H new ATOM 0 HA2 GLY A 68 10.398 -11.322 -35.572 1.00 21.31 H new ATOM 0 HA3 GLY A 68 9.233 -11.459 -36.874 1.00 21.31 H new ATOM 1054 N GLU A 69 8.977 -8.935 -34.747 1.00 44.41 N ATOM 1055 CA GLU A 69 8.922 -7.463 -34.565 1.00 71.02 C ATOM 1056 C GLU A 69 7.911 -6.812 -35.535 1.00 43.34 C ATOM 1057 O GLU A 69 8.167 -5.740 -36.101 1.00 21.11 O ATOM 1058 CB GLU A 69 10.341 -6.850 -34.726 1.00 25.13 C ATOM 1059 CG GLU A 69 11.393 -7.391 -33.736 1.00 55.11 C ATOM 1060 CD GLU A 69 12.796 -6.837 -34.017 1.00 40.05 C ATOM 1061 OE1 GLU A 69 13.121 -5.726 -33.539 1.00 10.11 O ATOM 1062 OE2 GLU A 69 13.570 -7.489 -34.754 1.00 0.22 O ATOM 0 H GLU A 69 8.775 -9.455 -33.893 1.00 44.41 H new ATOM 0 HA GLU A 69 8.572 -7.255 -33.554 1.00 71.02 H new ATOM 0 HB2 GLU A 69 10.689 -7.036 -35.742 1.00 25.13 H new ATOM 0 HB3 GLU A 69 10.271 -5.769 -34.606 1.00 25.13 H new ATOM 0 HG2 GLU A 69 11.099 -7.131 -32.719 1.00 55.11 H new ATOM 0 HG3 GLU A 69 11.416 -8.479 -33.793 1.00 55.11 H new ATOM 1069 N LYS A 70 6.766 -7.484 -35.719 1.00 20.21 N ATOM 1070 CA LYS A 70 5.722 -7.044 -36.656 1.00 1.23 C ATOM 1071 C LYS A 70 5.016 -5.767 -36.139 1.00 75.10 C ATOM 1072 O LYS A 70 4.761 -5.659 -34.931 1.00 15.34 O ATOM 1073 CB LYS A 70 4.692 -8.168 -36.877 1.00 60.51 C ATOM 1074 CG LYS A 70 5.238 -9.411 -37.609 1.00 63.30 C ATOM 1075 CD LYS A 70 4.209 -10.568 -37.606 1.00 21.04 C ATOM 1076 CE LYS A 70 4.651 -11.772 -38.448 1.00 61.43 C ATOM 1077 NZ LYS A 70 3.605 -12.838 -38.487 1.00 12.32 N ATOM 0 H LYS A 70 6.537 -8.346 -35.224 1.00 20.21 H new ATOM 0 HA LYS A 70 6.199 -6.809 -37.608 1.00 1.23 H new ATOM 0 HB2 LYS A 70 4.299 -8.477 -35.908 1.00 60.51 H new ATOM 0 HB3 LYS A 70 3.854 -7.767 -37.447 1.00 60.51 H new ATOM 0 HG2 LYS A 70 5.489 -9.148 -38.637 1.00 63.30 H new ATOM 0 HG3 LYS A 70 6.160 -9.741 -37.130 1.00 63.30 H new ATOM 0 HD2 LYS A 70 4.040 -10.893 -36.579 1.00 21.04 H new ATOM 0 HD3 LYS A 70 3.256 -10.199 -37.984 1.00 21.04 H new ATOM 0 HE2 LYS A 70 4.873 -11.443 -39.463 1.00 61.43 H new ATOM 0 HE3 LYS A 70 5.573 -12.183 -38.038 1.00 61.43 H new ATOM 0 HZ1 LYS A 70 3.942 -13.634 -39.066 1.00 12.32 H new ATOM 0 HZ2 LYS A 70 3.411 -13.170 -37.521 1.00 12.32 H new ATOM 0 HZ3 LYS A 70 2.733 -12.453 -38.902 1.00 12.32 H new ATOM 1091 N PRO A 71 4.714 -4.787 -37.051 1.00 41.50 N ATOM 1092 CA PRO A 71 4.034 -3.518 -36.695 1.00 53.13 C ATOM 1093 C PRO A 71 2.650 -3.745 -36.038 1.00 45.11 C ATOM 1094 O PRO A 71 1.736 -4.301 -36.660 1.00 3.11 O ATOM 1095 CB PRO A 71 3.903 -2.788 -38.065 1.00 32.33 C ATOM 1096 CG PRO A 71 4.027 -3.881 -39.090 1.00 61.33 C ATOM 1097 CD PRO A 71 5.026 -4.837 -38.508 1.00 72.20 C ATOM 0 HA PRO A 71 4.590 -2.947 -35.951 1.00 53.13 H new ATOM 0 HB2 PRO A 71 2.947 -2.272 -38.149 1.00 32.33 H new ATOM 0 HB3 PRO A 71 4.683 -2.037 -38.190 1.00 32.33 H new ATOM 0 HG2 PRO A 71 3.068 -4.369 -39.267 1.00 61.33 H new ATOM 0 HG3 PRO A 71 4.366 -3.488 -40.049 1.00 61.33 H new ATOM 0 HD2 PRO A 71 4.909 -5.842 -38.913 1.00 72.20 H new ATOM 0 HD3 PRO A 71 6.051 -4.528 -38.714 1.00 72.20 H new ATOM 1105 N PHE A 72 2.524 -3.314 -34.776 1.00 74.12 N ATOM 1106 CA PHE A 72 1.282 -3.458 -33.990 1.00 60.50 C ATOM 1107 C PHE A 72 0.189 -2.476 -34.462 1.00 43.50 C ATOM 1108 O PHE A 72 -1.002 -2.743 -34.287 1.00 54.40 O ATOM 1109 CB PHE A 72 1.579 -3.269 -32.476 1.00 65.32 C ATOM 1110 CG PHE A 72 2.201 -1.916 -32.088 1.00 64.12 C ATOM 1111 CD1 PHE A 72 3.584 -1.732 -32.108 1.00 25.24 C ATOM 1112 CD2 PHE A 72 1.400 -0.833 -31.704 1.00 5.43 C ATOM 1113 CE1 PHE A 72 4.149 -0.518 -31.754 1.00 10.41 C ATOM 1114 CE2 PHE A 72 1.963 0.377 -31.351 1.00 33.32 C ATOM 1115 CZ PHE A 72 3.336 0.537 -31.379 1.00 3.21 C ATOM 0 H PHE A 72 3.279 -2.854 -34.267 1.00 74.12 H new ATOM 0 HA PHE A 72 0.900 -4.466 -34.150 1.00 60.50 H new ATOM 0 HB2 PHE A 72 0.648 -3.394 -31.922 1.00 65.32 H new ATOM 0 HB3 PHE A 72 2.251 -4.064 -32.153 1.00 65.32 H new ATOM 0 HD1 PHE A 72 4.224 -2.550 -32.404 1.00 25.24 H new ATOM 0 HD2 PHE A 72 0.326 -0.946 -31.684 1.00 5.43 H new ATOM 0 HE1 PHE A 72 5.222 -0.395 -31.771 1.00 10.41 H new ATOM 0 HE2 PHE A 72 1.330 1.200 -31.053 1.00 33.32 H new ATOM 0 HZ PHE A 72 3.774 1.486 -31.108 1.00 3.21 H new ATOM 1125 N LYS A 73 0.614 -1.342 -35.045 1.00 40.45 N ATOM 1126 CA LYS A 73 -0.301 -0.293 -35.529 1.00 11.22 C ATOM 1127 C LYS A 73 -1.085 -0.804 -36.768 1.00 33.30 C ATOM 1128 O LYS A 73 -2.302 -1.068 -36.660 1.00 61.32 O ATOM 1129 CB LYS A 73 0.503 1.004 -35.851 1.00 24.44 C ATOM 1130 CG LYS A 73 -0.347 2.221 -36.295 1.00 20.05 C ATOM 1131 CD LYS A 73 -1.330 2.717 -35.208 1.00 25.33 C ATOM 1132 CE LYS A 73 -0.623 3.217 -33.934 1.00 53.45 C ATOM 1133 NZ LYS A 73 -1.601 3.678 -32.908 1.00 32.42 N ATOM 1134 OXT LYS A 73 -0.471 -0.993 -37.839 1.00 37.32 O ATOM 0 H LYS A 73 1.600 -1.127 -35.194 1.00 40.45 H new ATOM 0 HA LYS A 73 -1.027 -0.052 -34.752 1.00 11.22 H new ATOM 0 HB2 LYS A 73 1.075 1.285 -34.967 1.00 24.44 H new ATOM 0 HB3 LYS A 73 1.223 0.779 -36.638 1.00 24.44 H new ATOM 0 HG2 LYS A 73 0.319 3.038 -36.571 1.00 20.05 H new ATOM 0 HG3 LYS A 73 -0.911 1.954 -37.189 1.00 20.05 H new ATOM 0 HD2 LYS A 73 -1.939 3.523 -35.618 1.00 25.33 H new ATOM 0 HD3 LYS A 73 -2.010 1.907 -34.945 1.00 25.33 H new ATOM 0 HE2 LYS A 73 -0.010 2.417 -33.519 1.00 53.45 H new ATOM 0 HE3 LYS A 73 0.051 4.035 -34.189 1.00 53.45 H new ATOM 0 HZ1 LYS A 73 -1.090 4.007 -32.064 1.00 32.42 H new ATOM 0 HZ2 LYS A 73 -2.169 4.458 -33.296 1.00 32.42 H new ATOM 0 HZ3 LYS A 73 -2.228 2.890 -32.647 1.00 32.42 H new TER 1148 LYS A 73 HETATM 1149 ZN ZN A 101 4.252 -11.682 -24.891 1.00 51.41 ZN