USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, 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 66 HIS HE2 : A 66 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 35 LYS NZ :NH3+ 180:sc= 0.632 (180deg=-0.041) USER MOD Set 1.2: A 52 SER OG : rot -92:sc= 0.648 USER MOD Set 2.1: A 46 CYS SG : rot -139:sc= -3.98! USER MOD Set 2.2: A 49 CYS SG : rot 58:sc= -3.27! USER MOD Set 2.3: A 62 HIS : no HD1:sc= -0.927 K(o=-8.2,f=-20!) USER MOD Set 3.1: A 45 HIS : no HE2:sc= 0.568 K(o=0.57,f=-2.4!) USER MOD Set 3.2: A 47 ASN : amide:sc= 0 K(o=0.57,f=-0.07) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.07 (180deg=0.63) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0283 X(o=-0.028,f=-0.031) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.09) 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) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -159:sc= -0.102 (180deg=-0.576) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -132:sc= 0.867 (180deg=-0.0705) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 67:sc= -0.391 USER MOD Single : A 23 MET CE :methyl -166:sc= 0 (180deg=-0.094) USER MOD Single : A 25 CYS SG : rot 24:sc= 0.0569 USER MOD Single : A 29 ASN : amide:sc= 0.319 K(o=0.32,f=-4!) USER MOD Single : A 32 MET CE :methyl 171:sc= 0 (180deg=-0.127) USER MOD Single : A 34 HIS : no HD1:sc= -0.709 K(o=-0.71,f=-0.0052) USER MOD Single : A 37 SER OG : rot 70:sc= 0.814 USER MOD Single : A 38 HIS : no HD1:sc= -0.233 K(o=-0.23,f=-0.97) USER MOD Single : A 39 THR OG1 : rot 63:sc= 0.348 USER MOD Single : A 48 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.19) USER MOD Single : A 54 THR OG1 : rot -171:sc= -0.0124 USER MOD Single : A 55 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.59) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.155 K(o=-0.15,f=-1.5) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -133:sc= 0.727 (180deg=-0.924) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= -0.0178 (180deg=-0.164) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.120 32.665 77.729 1.00 42.35 N ATOM 2 CA MET A 1 19.018 31.747 77.352 1.00 40.13 C ATOM 3 C MET A 1 18.225 32.351 76.178 1.00 71.25 C ATOM 4 O MET A 1 17.383 33.235 76.381 1.00 23.51 O ATOM 5 CB MET A 1 18.097 31.454 78.577 1.00 23.30 C ATOM 6 CG MET A 1 18.793 30.722 79.741 1.00 12.10 C ATOM 7 SD MET A 1 20.127 31.689 80.486 1.00 21.21 S ATOM 8 CE MET A 1 20.765 30.546 81.714 1.00 51.51 C ATOM 0 H1 MET A 1 20.333 32.555 78.741 1.00 42.35 H new ATOM 0 H2 MET A 1 20.967 32.438 77.170 1.00 42.35 H new ATOM 0 H3 MET A 1 19.834 33.647 77.540 1.00 42.35 H new ATOM 0 HA MET A 1 19.437 30.793 77.031 1.00 40.13 H new ATOM 0 HB2 MET A 1 17.695 32.397 78.947 1.00 23.30 H new ATOM 0 HB3 MET A 1 17.250 30.855 78.243 1.00 23.30 H new ATOM 0 HG2 MET A 1 18.054 30.482 80.506 1.00 12.10 H new ATOM 0 HG3 MET A 1 19.196 29.776 79.379 1.00 12.10 H new ATOM 0 HE1 MET A 1 21.593 31.012 82.249 1.00 51.51 H new ATOM 0 HE2 MET A 1 19.974 30.291 82.420 1.00 51.51 H new ATOM 0 HE3 MET A 1 21.116 29.640 81.220 1.00 51.51 H new ATOM 20 N GLY A 2 18.544 31.895 74.949 1.00 32.31 N ATOM 21 CA GLY A 2 17.891 32.367 73.722 1.00 35.21 C ATOM 22 C GLY A 2 16.825 31.398 73.205 1.00 51.44 C ATOM 23 O GLY A 2 16.613 30.324 73.780 1.00 14.12 O ATOM 0 H GLY A 2 19.262 31.189 74.785 1.00 32.31 H new ATOM 0 HA2 GLY A 2 17.432 33.337 73.911 1.00 35.21 H new ATOM 0 HA3 GLY A 2 18.645 32.516 72.949 1.00 35.21 H new ATOM 27 N HIS A 3 16.155 31.788 72.110 1.00 75.04 N ATOM 28 CA HIS A 3 15.043 31.017 71.506 1.00 13.15 C ATOM 29 C HIS A 3 15.201 30.975 69.973 1.00 54.42 C ATOM 30 O HIS A 3 15.476 32.010 69.352 1.00 45.12 O ATOM 31 CB HIS A 3 13.674 31.652 71.878 1.00 0.21 C ATOM 32 CG HIS A 3 13.328 31.602 73.350 1.00 15.00 C ATOM 33 ND1 HIS A 3 12.994 32.720 74.091 1.00 13.15 N ATOM 34 CD2 HIS A 3 13.237 30.556 74.207 1.00 64.41 C ATOM 35 CE1 HIS A 3 12.717 32.359 75.327 1.00 21.35 C ATOM 36 NE2 HIS A 3 12.856 31.057 75.422 1.00 65.22 N ATOM 0 H HIS A 3 16.366 32.652 71.611 1.00 75.04 H new ATOM 0 HA HIS A 3 15.074 30.000 71.898 1.00 13.15 H new ATOM 0 HB2 HIS A 3 13.673 32.693 71.554 1.00 0.21 H new ATOM 0 HB3 HIS A 3 12.890 31.143 71.318 1.00 0.21 H new ATOM 0 HD2 HIS A 3 13.430 29.519 73.974 1.00 64.41 H new ATOM 0 HE1 HIS A 3 12.425 33.022 76.128 1.00 21.35 H new ATOM 0 HE2 HIS A 3 12.704 30.506 76.267 1.00 65.22 H new ATOM 45 N HIS A 4 15.010 29.777 69.382 1.00 11.34 N ATOM 46 CA HIS A 4 15.121 29.551 67.926 1.00 54.43 C ATOM 47 C HIS A 4 14.226 28.354 67.531 1.00 24.21 C ATOM 48 O HIS A 4 14.390 27.252 68.064 1.00 12.21 O ATOM 49 CB HIS A 4 16.602 29.287 67.549 1.00 53.54 C ATOM 50 CG HIS A 4 16.883 29.169 66.071 1.00 22.22 C ATOM 51 ND1 HIS A 4 17.362 30.216 65.319 1.00 53.23 N ATOM 52 CD2 HIS A 4 16.775 28.119 65.213 1.00 12.32 C ATOM 53 CE1 HIS A 4 17.532 29.820 64.077 1.00 62.42 C ATOM 54 NE2 HIS A 4 17.185 28.557 63.988 1.00 60.11 N ATOM 0 H HIS A 4 14.773 28.934 69.905 1.00 11.34 H new ATOM 0 HA HIS A 4 14.785 30.434 67.383 1.00 54.43 H new ATOM 0 HB2 HIS A 4 17.212 30.095 67.954 1.00 53.54 H new ATOM 0 HB3 HIS A 4 16.925 28.368 68.037 1.00 53.54 H new ATOM 0 HD2 HIS A 4 16.429 27.125 65.456 1.00 12.32 H new ATOM 0 HE1 HIS A 4 17.896 30.432 63.265 1.00 62.42 H new ATOM 0 HE2 HIS A 4 17.217 27.993 63.139 1.00 60.11 H new ATOM 63 N HIS A 5 13.285 28.586 66.595 1.00 65.31 N ATOM 64 CA HIS A 5 12.323 27.555 66.132 1.00 24.22 C ATOM 65 C HIS A 5 12.782 26.957 64.780 1.00 51.34 C ATOM 66 O HIS A 5 13.604 27.558 64.070 1.00 54.20 O ATOM 67 CB HIS A 5 10.909 28.184 66.010 1.00 4.03 C ATOM 68 CG HIS A 5 9.777 27.185 65.934 1.00 33.40 C ATOM 69 ND1 HIS A 5 9.176 26.805 64.753 1.00 40.14 N ATOM 70 CD2 HIS A 5 9.125 26.514 66.911 1.00 2.24 C ATOM 71 CE1 HIS A 5 8.218 25.941 65.014 1.00 3.23 C ATOM 72 NE2 HIS A 5 8.165 25.749 66.311 1.00 72.54 N ATOM 0 H HIS A 5 13.167 29.490 66.137 1.00 65.31 H new ATOM 0 HA HIS A 5 12.285 26.744 66.859 1.00 24.22 H new ATOM 0 HB2 HIS A 5 10.742 28.837 66.866 1.00 4.03 H new ATOM 0 HB3 HIS A 5 10.881 28.812 65.120 1.00 4.03 H new ATOM 0 HD2 HIS A 5 9.326 26.572 67.970 1.00 2.24 H new ATOM 0 HE1 HIS A 5 7.581 25.468 64.282 1.00 3.23 H new ATOM 0 HE2 HIS A 5 7.513 25.130 66.793 1.00 72.54 H new ATOM 81 N HIS A 6 12.234 25.779 64.435 1.00 3.34 N ATOM 82 CA HIS A 6 12.575 25.048 63.198 1.00 72.10 C ATOM 83 C HIS A 6 11.312 24.361 62.647 1.00 2.33 C ATOM 84 O HIS A 6 10.861 23.360 63.214 1.00 41.31 O ATOM 85 CB HIS A 6 13.695 24.014 63.500 1.00 2.43 C ATOM 86 CG HIS A 6 14.087 23.127 62.338 1.00 31.25 C ATOM 87 ND1 HIS A 6 13.452 21.932 62.059 1.00 42.52 N ATOM 88 CD2 HIS A 6 15.064 23.245 61.404 1.00 52.05 C ATOM 89 CE1 HIS A 6 14.019 21.360 61.021 1.00 30.44 C ATOM 90 NE2 HIS A 6 14.998 22.135 60.604 1.00 44.13 N ATOM 0 H HIS A 6 11.538 25.303 65.009 1.00 3.34 H new ATOM 0 HA HIS A 6 12.946 25.740 62.442 1.00 72.10 H new ATOM 0 HB2 HIS A 6 14.580 24.551 63.840 1.00 2.43 H new ATOM 0 HB3 HIS A 6 13.369 23.381 64.325 1.00 2.43 H new ATOM 0 HD2 HIS A 6 15.764 24.062 61.309 1.00 52.05 H new ATOM 0 HE1 HIS A 6 13.731 20.415 60.584 1.00 30.44 H new ATOM 0 HE2 HIS A 6 15.610 21.940 59.812 1.00 44.13 H new ATOM 99 N HIS A 7 10.741 24.935 61.562 1.00 35.33 N ATOM 100 CA HIS A 7 9.578 24.374 60.841 1.00 44.12 C ATOM 101 C HIS A 7 9.335 25.164 59.540 1.00 15.12 C ATOM 102 O HIS A 7 8.678 26.212 59.547 1.00 62.42 O ATOM 103 CB HIS A 7 8.296 24.369 61.717 1.00 51.30 C ATOM 104 CG HIS A 7 7.106 23.680 61.084 1.00 12.12 C ATOM 105 ND1 HIS A 7 5.948 24.342 60.727 1.00 3.03 N ATOM 106 CD2 HIS A 7 6.891 22.374 60.775 1.00 44.23 C ATOM 107 CE1 HIS A 7 5.083 23.477 60.235 1.00 21.24 C ATOM 108 NE2 HIS A 7 5.631 22.282 60.250 1.00 14.33 N ATOM 0 H HIS A 7 11.079 25.809 61.160 1.00 35.33 H new ATOM 0 HA HIS A 7 9.808 23.336 60.599 1.00 44.12 H new ATOM 0 HB2 HIS A 7 8.521 23.880 62.665 1.00 51.30 H new ATOM 0 HB3 HIS A 7 8.024 25.399 61.946 1.00 51.30 H new ATOM 0 HD2 HIS A 7 7.586 21.560 60.918 1.00 44.23 H new ATOM 0 HE1 HIS A 7 4.090 23.711 59.879 1.00 21.24 H new ATOM 0 HE2 HIS A 7 5.188 21.424 59.923 1.00 14.33 H new ATOM 117 N HIS A 8 9.922 24.675 58.443 1.00 12.22 N ATOM 118 CA HIS A 8 9.747 25.220 57.082 1.00 14.54 C ATOM 119 C HIS A 8 9.700 24.032 56.112 1.00 50.23 C ATOM 120 O HIS A 8 10.719 23.614 55.546 1.00 73.22 O ATOM 121 CB HIS A 8 10.879 26.224 56.709 1.00 2.14 C ATOM 122 CG HIS A 8 10.836 27.527 57.478 1.00 75.23 C ATOM 123 ND1 HIS A 8 10.006 28.573 57.134 1.00 74.14 N ATOM 124 CD2 HIS A 8 11.507 27.944 58.582 1.00 44.42 C ATOM 125 CE1 HIS A 8 10.171 29.565 57.985 1.00 53.24 C ATOM 126 NE2 HIS A 8 11.075 29.207 58.873 1.00 1.10 N ATOM 0 H HIS A 8 10.548 23.870 58.472 1.00 12.22 H new ATOM 0 HA HIS A 8 8.819 25.789 57.025 1.00 14.54 H new ATOM 0 HB2 HIS A 8 11.843 25.746 56.881 1.00 2.14 H new ATOM 0 HB3 HIS A 8 10.817 26.443 55.643 1.00 2.14 H new ATOM 0 HD2 HIS A 8 12.247 27.380 59.130 1.00 44.42 H new ATOM 0 HE1 HIS A 8 9.652 30.512 57.959 1.00 53.24 H new ATOM 0 HE2 HIS A 8 11.400 29.780 59.652 1.00 1.10 H new ATOM 135 N SER A 9 8.500 23.462 55.985 1.00 11.34 N ATOM 136 CA SER A 9 8.260 22.187 55.300 1.00 54.44 C ATOM 137 C SER A 9 7.917 22.404 53.813 1.00 11.45 C ATOM 138 O SER A 9 7.028 23.197 53.483 1.00 33.41 O ATOM 139 CB SER A 9 7.111 21.451 56.020 1.00 22.41 C ATOM 140 OG SER A 9 6.856 20.184 55.447 1.00 23.34 O ATOM 0 H SER A 9 7.650 23.881 56.362 1.00 11.34 H new ATOM 0 HA SER A 9 9.168 21.585 55.335 1.00 54.44 H new ATOM 0 HB2 SER A 9 7.362 21.329 57.074 1.00 22.41 H new ATOM 0 HB3 SER A 9 6.207 22.058 55.976 1.00 22.41 H new ATOM 0 HG SER A 9 6.124 19.748 55.930 1.00 23.34 H new ATOM 146 N HIS A 10 8.642 21.692 52.930 1.00 21.34 N ATOM 147 CA HIS A 10 8.394 21.673 51.470 1.00 73.12 C ATOM 148 C HIS A 10 8.598 20.242 50.959 1.00 30.21 C ATOM 149 O HIS A 10 9.630 19.621 51.257 1.00 31.34 O ATOM 150 CB HIS A 10 9.339 22.651 50.701 1.00 53.13 C ATOM 151 CG HIS A 10 8.992 24.117 50.858 1.00 43.22 C ATOM 152 ND1 HIS A 10 8.248 24.818 49.928 1.00 34.03 N ATOM 153 CD2 HIS A 10 9.291 25.012 51.832 1.00 3.50 C ATOM 154 CE1 HIS A 10 8.107 26.065 50.327 1.00 45.41 C ATOM 155 NE2 HIS A 10 8.729 26.206 51.477 1.00 20.25 N ATOM 0 H HIS A 10 9.427 21.105 53.211 1.00 21.34 H new ATOM 0 HA HIS A 10 7.372 22.006 51.289 1.00 73.12 H new ATOM 0 HB2 HIS A 10 10.361 22.494 51.046 1.00 53.13 H new ATOM 0 HB3 HIS A 10 9.318 22.398 49.641 1.00 53.13 H new ATOM 0 HD2 HIS A 10 9.867 24.817 52.724 1.00 3.50 H new ATOM 0 HE1 HIS A 10 7.571 26.840 49.799 1.00 45.41 H new ATOM 0 HE2 HIS A 10 8.783 27.069 52.018 1.00 20.25 H new ATOM 164 N MET A 11 7.619 19.724 50.200 1.00 60.22 N ATOM 165 CA MET A 11 7.687 18.374 49.616 1.00 33.32 C ATOM 166 C MET A 11 7.204 18.408 48.154 1.00 42.51 C ATOM 167 O MET A 11 6.337 19.223 47.809 1.00 44.52 O ATOM 168 CB MET A 11 6.851 17.359 50.449 1.00 72.24 C ATOM 169 CG MET A 11 5.337 17.622 50.495 1.00 22.43 C ATOM 170 SD MET A 11 4.416 16.301 51.317 1.00 34.34 S ATOM 171 CE MET A 11 4.709 14.900 50.226 1.00 53.43 C ATOM 0 H MET A 11 6.761 20.227 49.974 1.00 60.22 H new ATOM 0 HA MET A 11 8.725 18.042 49.636 1.00 33.32 H new ATOM 0 HB2 MET A 11 7.016 16.361 50.043 1.00 72.24 H new ATOM 0 HB3 MET A 11 7.232 17.354 51.470 1.00 72.24 H new ATOM 0 HG2 MET A 11 5.153 18.563 51.013 1.00 22.43 H new ATOM 0 HG3 MET A 11 4.963 17.740 49.478 1.00 22.43 H new ATOM 0 HE1 MET A 11 3.935 14.149 50.382 1.00 53.43 H new ATOM 0 HE2 MET A 11 4.685 15.235 49.189 1.00 53.43 H new ATOM 0 HE3 MET A 11 5.685 14.466 50.445 1.00 53.43 H new ATOM 181 N PRO A 12 7.795 17.555 47.256 1.00 10.20 N ATOM 182 CA PRO A 12 7.325 17.432 45.862 1.00 41.10 C ATOM 183 C PRO A 12 6.004 16.635 45.751 1.00 22.55 C ATOM 184 O PRO A 12 5.638 15.880 46.662 1.00 4.42 O ATOM 185 CB PRO A 12 8.495 16.694 45.158 1.00 44.54 C ATOM 186 CG PRO A 12 9.126 15.868 46.243 1.00 64.11 C ATOM 187 CD PRO A 12 8.983 16.681 47.518 1.00 64.14 C ATOM 0 HA PRO A 12 7.093 18.399 45.416 1.00 41.10 H new ATOM 0 HB2 PRO A 12 8.135 16.068 44.341 1.00 44.54 H new ATOM 0 HB3 PRO A 12 9.208 17.398 44.730 1.00 44.54 H new ATOM 0 HG2 PRO A 12 8.630 14.902 46.338 1.00 64.11 H new ATOM 0 HG3 PRO A 12 10.174 15.668 46.022 1.00 64.11 H new ATOM 0 HD2 PRO A 12 8.824 16.040 48.385 1.00 64.14 H new ATOM 0 HD3 PRO A 12 9.877 17.271 47.718 1.00 64.14 H new ATOM 195 N ASN A 13 5.308 16.834 44.624 1.00 20.42 N ATOM 196 CA ASN A 13 4.071 16.109 44.267 1.00 12.22 C ATOM 197 C ASN A 13 3.803 16.261 42.758 1.00 41.23 C ATOM 198 O ASN A 13 4.450 17.070 42.080 1.00 32.24 O ATOM 199 CB ASN A 13 2.845 16.596 45.100 1.00 33.10 C ATOM 200 CG ASN A 13 2.539 18.089 44.939 1.00 24.20 C ATOM 201 OD1 ASN A 13 3.059 18.921 45.675 1.00 10.31 O ATOM 202 ND2 ASN A 13 1.693 18.438 43.984 1.00 4.25 N ATOM 0 H ASN A 13 5.590 17.515 43.919 1.00 20.42 H new ATOM 0 HA ASN A 13 4.214 15.055 44.506 1.00 12.22 H new ATOM 0 HB2 ASN A 13 1.967 16.021 44.806 1.00 33.10 H new ATOM 0 HB3 ASN A 13 3.027 16.384 46.154 1.00 33.10 H new ATOM 0 HD21 ASN A 13 1.458 19.421 43.845 1.00 4.25 H new ATOM 0 HD22 ASN A 13 1.276 17.724 43.387 1.00 4.25 H new ATOM 209 N GLY A 14 2.837 15.477 42.247 1.00 75.23 N ATOM 210 CA GLY A 14 2.511 15.462 40.816 1.00 14.33 C ATOM 211 C GLY A 14 3.320 14.423 40.041 1.00 23.21 C ATOM 212 O GLY A 14 4.330 13.909 40.547 1.00 0.31 O ATOM 0 H GLY A 14 2.268 14.844 42.809 1.00 75.23 H new ATOM 0 HA2 GLY A 14 1.448 15.256 40.691 1.00 14.33 H new ATOM 0 HA3 GLY A 14 2.696 16.450 40.394 1.00 14.33 H new ATOM 216 N LYS A 15 2.886 14.138 38.800 1.00 22.41 N ATOM 217 CA LYS A 15 3.494 13.125 37.911 1.00 22.11 C ATOM 218 C LYS A 15 3.425 13.623 36.459 1.00 35.33 C ATOM 219 O LYS A 15 2.903 14.714 36.186 1.00 5.34 O ATOM 220 CB LYS A 15 2.769 11.752 38.053 1.00 3.41 C ATOM 221 CG LYS A 15 2.945 11.056 39.426 1.00 50.51 C ATOM 222 CD LYS A 15 2.180 9.715 39.540 1.00 64.44 C ATOM 223 CE LYS A 15 0.648 9.880 39.422 1.00 23.12 C ATOM 224 NZ LYS A 15 -0.063 8.581 39.574 1.00 13.23 N ATOM 0 H LYS A 15 2.088 14.613 38.377 1.00 22.41 H new ATOM 0 HA LYS A 15 4.536 12.980 38.197 1.00 22.11 H new ATOM 0 HB2 LYS A 15 1.704 11.900 37.872 1.00 3.41 H new ATOM 0 HB3 LYS A 15 3.135 11.083 37.274 1.00 3.41 H new ATOM 0 HG2 LYS A 15 4.006 10.876 39.600 1.00 50.51 H new ATOM 0 HG3 LYS A 15 2.603 11.729 40.212 1.00 50.51 H new ATOM 0 HD2 LYS A 15 2.528 9.038 38.760 1.00 64.44 H new ATOM 0 HD3 LYS A 15 2.417 9.248 40.496 1.00 64.44 H new ATOM 0 HE2 LYS A 15 0.298 10.577 40.184 1.00 23.12 H new ATOM 0 HE3 LYS A 15 0.403 10.317 38.454 1.00 23.12 H new ATOM 0 HZ1 LYS A 15 -1.088 8.734 39.489 1.00 13.23 H new ATOM 0 HZ2 LYS A 15 0.252 7.924 38.832 1.00 13.23 H new ATOM 0 HZ3 LYS A 15 0.150 8.176 40.508 1.00 13.23 H new ATOM 238 N LEU A 16 3.962 12.822 35.535 1.00 1.43 N ATOM 239 CA LEU A 16 4.004 13.158 34.104 1.00 4.42 C ATOM 240 C LEU A 16 2.952 12.355 33.327 1.00 34.15 C ATOM 241 O LEU A 16 2.503 11.291 33.778 1.00 14.24 O ATOM 242 CB LEU A 16 5.411 12.876 33.512 1.00 43.30 C ATOM 243 CG LEU A 16 6.586 13.808 33.983 1.00 44.20 C ATOM 244 CD1 LEU A 16 7.053 13.492 35.423 1.00 34.13 C ATOM 245 CD2 LEU A 16 7.763 13.752 32.991 1.00 41.02 C ATOM 0 H LEU A 16 4.382 11.919 35.756 1.00 1.43 H new ATOM 0 HA LEU A 16 3.785 14.221 34.007 1.00 4.42 H new ATOM 0 HB2 LEU A 16 5.679 11.847 33.752 1.00 43.30 H new ATOM 0 HB3 LEU A 16 5.341 12.943 32.426 1.00 43.30 H new ATOM 0 HG LEU A 16 6.197 14.826 33.998 1.00 44.20 H new ATOM 0 HD11 LEU A 16 7.866 14.164 35.698 1.00 34.13 H new ATOM 0 HD12 LEU A 16 6.221 13.628 36.113 1.00 34.13 H new ATOM 0 HD13 LEU A 16 7.402 12.461 35.474 1.00 34.13 H new ATOM 0 HD21 LEU A 16 8.563 14.405 33.339 1.00 41.02 H new ATOM 0 HD22 LEU A 16 8.133 12.729 32.923 1.00 41.02 H new ATOM 0 HD23 LEU A 16 7.427 14.082 32.008 1.00 41.02 H new ATOM 257 N LYS A 17 2.578 12.872 32.149 1.00 74.31 N ATOM 258 CA LYS A 17 1.688 12.178 31.202 1.00 53.12 C ATOM 259 C LYS A 17 2.530 11.562 30.058 1.00 34.52 C ATOM 260 O LYS A 17 3.482 12.183 29.564 1.00 74.34 O ATOM 261 CB LYS A 17 0.602 13.160 30.670 1.00 5.14 C ATOM 262 CG LYS A 17 1.155 14.456 30.023 1.00 41.20 C ATOM 263 CD LYS A 17 0.056 15.488 29.677 1.00 13.31 C ATOM 264 CE LYS A 17 -0.997 14.945 28.692 1.00 44.11 C ATOM 265 NZ LYS A 17 -0.387 14.437 27.433 1.00 71.44 N ATOM 0 H LYS A 17 2.885 13.788 31.822 1.00 74.31 H new ATOM 0 HA LYS A 17 1.167 11.365 31.708 1.00 53.12 H new ATOM 0 HB2 LYS A 17 -0.011 12.638 29.936 1.00 5.14 H new ATOM 0 HB3 LYS A 17 -0.054 13.435 31.496 1.00 5.14 H new ATOM 0 HG2 LYS A 17 1.873 14.915 30.703 1.00 41.20 H new ATOM 0 HG3 LYS A 17 1.698 14.196 29.114 1.00 41.20 H new ATOM 0 HD2 LYS A 17 -0.442 15.801 30.595 1.00 13.31 H new ATOM 0 HD3 LYS A 17 0.522 16.375 29.248 1.00 13.31 H new ATOM 0 HE2 LYS A 17 -1.558 14.142 29.170 1.00 44.11 H new ATOM 0 HE3 LYS A 17 -1.710 15.735 28.454 1.00 44.11 H new ATOM 0 HZ1 LYS A 17 -0.903 14.823 26.617 1.00 71.44 H new ATOM 0 HZ2 LYS A 17 0.608 14.734 27.385 1.00 71.44 H new ATOM 0 HZ3 LYS A 17 -0.439 13.398 27.416 1.00 71.44 H new ATOM 279 N CYS A 18 2.179 10.333 29.666 1.00 23.11 N ATOM 280 CA CYS A 18 2.901 9.557 28.634 1.00 55.01 C ATOM 281 C CYS A 18 1.904 8.698 27.832 1.00 71.20 C ATOM 282 O CYS A 18 2.281 7.663 27.262 1.00 33.41 O ATOM 283 CB CYS A 18 3.969 8.667 29.322 1.00 52.52 C ATOM 284 SG CYS A 18 3.285 7.492 30.518 1.00 2.23 S ATOM 0 H CYS A 18 1.378 9.837 30.056 1.00 23.11 H new ATOM 0 HA CYS A 18 3.400 10.234 27.941 1.00 55.01 H new ATOM 0 HB2 CYS A 18 4.515 8.115 28.557 1.00 52.52 H new ATOM 0 HB3 CYS A 18 4.690 9.308 29.829 1.00 52.52 H new ATOM 0 HG CYS A 18 4.249 6.792 31.039 1.00 2.23 H new ATOM 290 N ASP A 19 0.642 9.174 27.767 1.00 70.23 N ATOM 291 CA ASP A 19 -0.483 8.482 27.103 1.00 43.14 C ATOM 292 C ASP A 19 -0.185 8.200 25.613 1.00 23.25 C ATOM 293 O ASP A 19 0.232 9.097 24.872 1.00 12.40 O ATOM 294 CB ASP A 19 -1.784 9.320 27.266 1.00 13.22 C ATOM 295 CG ASP A 19 -1.659 10.776 26.754 1.00 1.34 C ATOM 296 OD1 ASP A 19 -1.024 11.611 27.450 1.00 61.11 O ATOM 297 OD2 ASP A 19 -2.178 11.093 25.655 1.00 40.34 O ATOM 0 H ASP A 19 0.372 10.066 28.182 1.00 70.23 H new ATOM 0 HA ASP A 19 -0.621 7.514 27.585 1.00 43.14 H new ATOM 0 HB2 ASP A 19 -2.593 8.825 26.730 1.00 13.22 H new ATOM 0 HB3 ASP A 19 -2.064 9.338 28.319 1.00 13.22 H new ATOM 302 N VAL A 20 -0.402 6.942 25.193 1.00 44.33 N ATOM 303 CA VAL A 20 -0.019 6.469 23.853 1.00 14.31 C ATOM 304 C VAL A 20 -1.046 6.939 22.796 1.00 62.44 C ATOM 305 O VAL A 20 -2.262 6.817 22.993 1.00 34.22 O ATOM 306 CB VAL A 20 0.167 4.900 23.830 1.00 10.33 C ATOM 307 CG1 VAL A 20 1.260 4.471 24.843 1.00 11.43 C ATOM 308 CG2 VAL A 20 -1.159 4.140 24.097 1.00 33.43 C ATOM 0 H VAL A 20 -0.846 6.228 25.770 1.00 44.33 H new ATOM 0 HA VAL A 20 0.945 6.909 23.599 1.00 14.31 H new ATOM 0 HB VAL A 20 0.487 4.629 22.824 1.00 10.33 H new ATOM 0 HG11 VAL A 20 1.376 3.388 24.815 1.00 11.43 H new ATOM 0 HG12 VAL A 20 2.206 4.944 24.580 1.00 11.43 H new ATOM 0 HG13 VAL A 20 0.967 4.779 25.847 1.00 11.43 H new ATOM 0 HG21 VAL A 20 -0.975 3.066 24.070 1.00 33.43 H new ATOM 0 HG22 VAL A 20 -1.546 4.417 25.077 1.00 33.43 H new ATOM 0 HG23 VAL A 20 -1.889 4.402 23.331 1.00 33.43 H new ATOM 318 N CYS A 21 -0.538 7.517 21.697 1.00 63.33 N ATOM 319 CA CYS A 21 -1.361 8.102 20.624 1.00 2.31 C ATOM 320 C CYS A 21 -0.649 7.903 19.271 1.00 24.14 C ATOM 321 O CYS A 21 0.189 8.722 18.873 1.00 22.11 O ATOM 322 CB CYS A 21 -1.599 9.609 20.906 1.00 3.41 C ATOM 323 SG CYS A 21 -2.302 9.962 22.536 1.00 61.21 S ATOM 0 H CYS A 21 0.465 7.593 21.525 1.00 63.33 H new ATOM 0 HA CYS A 21 -2.330 7.604 20.588 1.00 2.31 H new ATOM 0 HB2 CYS A 21 -0.651 10.138 20.810 1.00 3.41 H new ATOM 0 HB3 CYS A 21 -2.266 10.008 20.142 1.00 3.41 H new ATOM 0 HG CYS A 21 -1.432 9.669 23.457 1.00 61.21 H new ATOM 329 N GLY A 22 -0.956 6.785 18.598 1.00 1.15 N ATOM 330 CA GLY A 22 -0.347 6.453 17.310 1.00 11.23 C ATOM 331 C GLY A 22 -0.955 5.197 16.718 1.00 72.41 C ATOM 332 O GLY A 22 -0.239 4.245 16.368 1.00 13.13 O ATOM 0 H GLY A 22 -1.628 6.093 18.931 1.00 1.15 H new ATOM 0 HA2 GLY A 22 -0.480 7.284 16.618 1.00 11.23 H new ATOM 0 HA3 GLY A 22 0.726 6.314 17.438 1.00 11.23 H new ATOM 336 N MET A 23 -2.291 5.188 16.631 1.00 21.23 N ATOM 337 CA MET A 23 -3.067 4.054 16.109 1.00 4.22 C ATOM 338 C MET A 23 -3.051 4.094 14.576 1.00 64.55 C ATOM 339 O MET A 23 -3.314 5.145 13.975 1.00 42.51 O ATOM 340 CB MET A 23 -4.524 4.096 16.643 1.00 24.21 C ATOM 341 CG MET A 23 -4.656 3.958 18.175 1.00 71.14 C ATOM 342 SD MET A 23 -3.852 5.300 19.092 1.00 33.21 S ATOM 343 CE MET A 23 -4.192 4.840 20.795 1.00 71.04 C ATOM 0 H MET A 23 -2.870 5.975 16.924 1.00 21.23 H new ATOM 0 HA MET A 23 -2.615 3.122 16.449 1.00 4.22 H new ATOM 0 HB2 MET A 23 -4.982 5.037 16.336 1.00 24.21 H new ATOM 0 HB3 MET A 23 -5.093 3.296 16.170 1.00 24.21 H new ATOM 0 HG2 MET A 23 -5.713 3.930 18.440 1.00 71.14 H new ATOM 0 HG3 MET A 23 -4.224 3.007 18.485 1.00 71.14 H new ATOM 0 HE1 MET A 23 -3.981 5.686 21.449 1.00 71.04 H new ATOM 0 HE2 MET A 23 -5.240 4.558 20.893 1.00 71.04 H new ATOM 0 HE3 MET A 23 -3.562 3.997 21.077 1.00 71.04 H new ATOM 353 N VAL A 24 -2.725 2.953 13.949 1.00 41.12 N ATOM 354 CA VAL A 24 -2.614 2.833 12.483 1.00 53.13 C ATOM 355 C VAL A 24 -3.723 1.909 11.943 1.00 13.44 C ATOM 356 O VAL A 24 -4.042 0.881 12.556 1.00 45.02 O ATOM 357 CB VAL A 24 -1.182 2.310 12.056 1.00 24.34 C ATOM 358 CG1 VAL A 24 -0.864 0.909 12.644 1.00 4.43 C ATOM 359 CG2 VAL A 24 -1.004 2.334 10.514 1.00 53.42 C ATOM 0 H VAL A 24 -2.530 2.083 14.445 1.00 41.12 H new ATOM 0 HA VAL A 24 -2.742 3.824 12.047 1.00 53.13 H new ATOM 0 HB VAL A 24 -0.456 3.001 12.484 1.00 24.34 H new ATOM 0 HG11 VAL A 24 0.129 0.596 12.322 1.00 4.43 H new ATOM 0 HG12 VAL A 24 -0.894 0.956 13.733 1.00 4.43 H new ATOM 0 HG13 VAL A 24 -1.603 0.190 12.291 1.00 4.43 H new ATOM 0 HG21 VAL A 24 -0.010 1.969 10.257 1.00 53.42 H new ATOM 0 HG22 VAL A 24 -1.756 1.696 10.051 1.00 53.42 H new ATOM 0 HG23 VAL A 24 -1.121 3.355 10.150 1.00 53.42 H new ATOM 369 N CYS A 25 -4.337 2.298 10.816 1.00 62.33 N ATOM 370 CA CYS A 25 -5.349 1.486 10.125 1.00 30.52 C ATOM 371 C CYS A 25 -4.679 0.566 9.090 1.00 34.12 C ATOM 372 O CYS A 25 -3.547 0.817 8.651 1.00 0.24 O ATOM 373 CB CYS A 25 -6.383 2.411 9.450 1.00 31.32 C ATOM 374 SG CYS A 25 -5.670 3.592 8.283 1.00 23.05 S ATOM 0 H CYS A 25 -4.145 3.188 10.357 1.00 62.33 H new ATOM 0 HA CYS A 25 -5.864 0.857 10.852 1.00 30.52 H new ATOM 0 HB2 CYS A 25 -7.116 1.797 8.926 1.00 31.32 H new ATOM 0 HB3 CYS A 25 -6.921 2.960 10.222 1.00 31.32 H new ATOM 0 HG CYS A 25 -4.531 3.140 7.850 1.00 23.05 H new ATOM 380 N ILE A 26 -5.391 -0.498 8.708 1.00 70.54 N ATOM 381 CA ILE A 26 -4.947 -1.478 7.701 1.00 61.42 C ATOM 382 C ILE A 26 -6.042 -1.597 6.630 1.00 14.42 C ATOM 383 O ILE A 26 -7.234 -1.418 6.927 1.00 53.13 O ATOM 384 CB ILE A 26 -4.637 -2.884 8.370 1.00 2.02 C ATOM 385 CG1 ILE A 26 -4.116 -3.943 7.333 1.00 12.32 C ATOM 386 CG2 ILE A 26 -5.857 -3.425 9.158 1.00 41.20 C ATOM 387 CD1 ILE A 26 -2.773 -3.607 6.694 1.00 65.21 C ATOM 0 H ILE A 26 -6.311 -0.710 9.095 1.00 70.54 H new ATOM 0 HA ILE A 26 -4.019 -1.140 7.239 1.00 61.42 H new ATOM 0 HB ILE A 26 -3.829 -2.713 9.081 1.00 2.02 H new ATOM 0 HG12 ILE A 26 -4.033 -4.909 7.832 1.00 12.32 H new ATOM 0 HG13 ILE A 26 -4.860 -4.054 6.544 1.00 12.32 H new ATOM 0 HG21 ILE A 26 -5.606 -4.389 9.601 1.00 41.20 H new ATOM 0 HG22 ILE A 26 -6.122 -2.721 9.947 1.00 41.20 H new ATOM 0 HG23 ILE A 26 -6.703 -3.546 8.481 1.00 41.20 H new ATOM 0 HD11 ILE A 26 -2.496 -4.395 5.994 1.00 65.21 H new ATOM 0 HD12 ILE A 26 -2.850 -2.659 6.162 1.00 65.21 H new ATOM 0 HD13 ILE A 26 -2.011 -3.527 7.469 1.00 65.21 H new ATOM 399 N GLY A 27 -5.633 -1.848 5.383 1.00 61.13 N ATOM 400 CA GLY A 27 -6.558 -2.037 4.266 1.00 70.11 C ATOM 401 C GLY A 27 -6.424 -3.428 3.639 1.00 12.40 C ATOM 402 O GLY A 27 -5.363 -4.060 3.773 1.00 23.14 O ATOM 0 H GLY A 27 -4.650 -1.926 5.121 1.00 61.13 H new ATOM 0 HA2 GLY A 27 -7.581 -1.893 4.614 1.00 70.11 H new ATOM 0 HA3 GLY A 27 -6.370 -1.278 3.507 1.00 70.11 H new ATOM 406 N PRO A 28 -7.488 -3.951 2.951 1.00 24.14 N ATOM 407 CA PRO A 28 -7.402 -5.222 2.187 1.00 63.03 C ATOM 408 C PRO A 28 -6.642 -5.027 0.857 1.00 53.11 C ATOM 409 O PRO A 28 -6.299 -3.891 0.492 1.00 0.11 O ATOM 410 CB PRO A 28 -8.892 -5.582 1.949 1.00 65.31 C ATOM 411 CG PRO A 28 -9.594 -4.254 1.894 1.00 53.11 C ATOM 412 CD PRO A 28 -8.854 -3.354 2.878 1.00 10.21 C ATOM 0 HA PRO A 28 -6.852 -6.005 2.710 1.00 63.03 H new ATOM 0 HB2 PRO A 28 -9.023 -6.139 1.021 1.00 65.31 H new ATOM 0 HB3 PRO A 28 -9.283 -6.205 2.753 1.00 65.31 H new ATOM 0 HG2 PRO A 28 -9.567 -3.838 0.887 1.00 53.11 H new ATOM 0 HG3 PRO A 28 -10.644 -4.355 2.169 1.00 53.11 H new ATOM 0 HD2 PRO A 28 -8.821 -2.322 2.529 1.00 10.21 H new ATOM 0 HD3 PRO A 28 -9.339 -3.345 3.854 1.00 10.21 H new ATOM 420 N ASN A 29 -6.379 -6.135 0.134 1.00 54.42 N ATOM 421 CA ASN A 29 -5.694 -6.072 -1.171 1.00 32.04 C ATOM 422 C ASN A 29 -6.671 -5.505 -2.229 1.00 1.14 C ATOM 423 O ASN A 29 -7.433 -6.246 -2.858 1.00 33.40 O ATOM 424 CB ASN A 29 -5.140 -7.463 -1.589 1.00 4.35 C ATOM 425 CG ASN A 29 -4.167 -7.422 -2.785 1.00 22.21 C ATOM 426 OD1 ASN A 29 -4.203 -6.524 -3.635 1.00 62.31 O ATOM 427 ND2 ASN A 29 -3.300 -8.411 -2.871 1.00 51.41 N ATOM 0 H ASN A 29 -6.629 -7.078 0.431 1.00 54.42 H new ATOM 0 HA ASN A 29 -4.834 -5.407 -1.092 1.00 32.04 H new ATOM 0 HB2 ASN A 29 -4.630 -7.910 -0.736 1.00 4.35 H new ATOM 0 HB3 ASN A 29 -5.977 -8.115 -1.838 1.00 4.35 H new ATOM 0 HD21 ASN A 29 -2.642 -8.446 -3.649 1.00 51.41 H new ATOM 0 HD22 ASN A 29 -3.287 -9.141 -2.159 1.00 51.41 H new ATOM 434 N VAL A 30 -6.664 -4.166 -2.357 1.00 42.12 N ATOM 435 CA VAL A 30 -7.528 -3.420 -3.289 1.00 40.13 C ATOM 436 C VAL A 30 -7.014 -3.550 -4.738 1.00 72.33 C ATOM 437 O VAL A 30 -7.796 -3.484 -5.687 1.00 63.31 O ATOM 438 CB VAL A 30 -7.646 -1.899 -2.879 1.00 23.14 C ATOM 439 CG1 VAL A 30 -8.188 -1.758 -1.434 1.00 2.43 C ATOM 440 CG2 VAL A 30 -6.307 -1.136 -3.048 1.00 44.15 C ATOM 0 H VAL A 30 -6.050 -3.564 -1.809 1.00 42.12 H new ATOM 0 HA VAL A 30 -8.524 -3.859 -3.233 1.00 40.13 H new ATOM 0 HB VAL A 30 -8.360 -1.439 -3.562 1.00 23.14 H new ATOM 0 HG11 VAL A 30 -8.261 -0.702 -1.174 1.00 2.43 H new ATOM 0 HG12 VAL A 30 -9.175 -2.216 -1.369 1.00 2.43 H new ATOM 0 HG13 VAL A 30 -7.510 -2.256 -0.741 1.00 2.43 H new ATOM 0 HG21 VAL A 30 -6.442 -0.095 -2.753 1.00 44.15 H new ATOM 0 HG22 VAL A 30 -5.544 -1.596 -2.419 1.00 44.15 H new ATOM 0 HG23 VAL A 30 -5.992 -1.180 -4.091 1.00 44.15 H new ATOM 450 N LEU A 31 -5.691 -3.764 -4.877 1.00 64.42 N ATOM 451 CA LEU A 31 -5.007 -3.848 -6.179 1.00 42.34 C ATOM 452 C LEU A 31 -5.481 -5.079 -6.976 1.00 22.31 C ATOM 453 O LEU A 31 -5.765 -4.981 -8.174 1.00 54.31 O ATOM 454 CB LEU A 31 -3.469 -3.892 -5.955 1.00 71.44 C ATOM 455 CG LEU A 31 -2.855 -2.673 -5.196 1.00 24.13 C ATOM 456 CD1 LEU A 31 -1.330 -2.832 -5.015 1.00 15.40 C ATOM 457 CD2 LEU A 31 -3.205 -1.339 -5.892 1.00 64.15 C ATOM 0 H LEU A 31 -5.064 -3.884 -4.082 1.00 64.42 H new ATOM 0 HA LEU A 31 -5.257 -2.964 -6.766 1.00 42.34 H new ATOM 0 HB2 LEU A 31 -3.228 -4.799 -5.401 1.00 71.44 H new ATOM 0 HB3 LEU A 31 -2.982 -3.973 -6.927 1.00 71.44 H new ATOM 0 HG LEU A 31 -3.302 -2.649 -4.202 1.00 24.13 H new ATOM 0 HD11 LEU A 31 -0.935 -1.967 -4.483 1.00 15.40 H new ATOM 0 HD12 LEU A 31 -1.124 -3.736 -4.441 1.00 15.40 H new ATOM 0 HD13 LEU A 31 -0.853 -2.906 -5.992 1.00 15.40 H new ATOM 0 HD21 LEU A 31 -2.762 -0.512 -5.337 1.00 64.15 H new ATOM 0 HD22 LEU A 31 -2.813 -1.345 -6.909 1.00 64.15 H new ATOM 0 HD23 LEU A 31 -4.288 -1.217 -5.922 1.00 64.15 H new ATOM 469 N MET A 32 -5.587 -6.228 -6.272 1.00 50.21 N ATOM 470 CA MET A 32 -5.959 -7.517 -6.876 1.00 72.43 C ATOM 471 C MET A 32 -7.442 -7.533 -7.288 1.00 14.10 C ATOM 472 O MET A 32 -7.771 -7.961 -8.402 1.00 70.23 O ATOM 473 CB MET A 32 -5.654 -8.678 -5.888 1.00 63.30 C ATOM 474 CG MET A 32 -6.036 -10.079 -6.403 1.00 14.15 C ATOM 475 SD MET A 32 -5.228 -10.516 -7.964 1.00 33.21 S ATOM 476 CE MET A 32 -3.498 -10.575 -7.488 1.00 2.21 C ATOM 0 H MET A 32 -5.416 -6.283 -5.268 1.00 50.21 H new ATOM 0 HA MET A 32 -5.363 -7.655 -7.778 1.00 72.43 H new ATOM 0 HB2 MET A 32 -4.589 -8.669 -5.656 1.00 63.30 H new ATOM 0 HB3 MET A 32 -6.185 -8.492 -4.955 1.00 63.30 H new ATOM 0 HG2 MET A 32 -5.775 -10.820 -5.647 1.00 14.15 H new ATOM 0 HG3 MET A 32 -7.117 -10.127 -6.536 1.00 14.15 H new ATOM 0 HE1 MET A 32 -2.909 -10.986 -8.308 1.00 2.21 H new ATOM 0 HE2 MET A 32 -3.149 -9.568 -7.260 1.00 2.21 H new ATOM 0 HE3 MET A 32 -3.384 -11.207 -6.607 1.00 2.21 H new ATOM 486 N VAL A 33 -8.330 -7.046 -6.394 1.00 52.22 N ATOM 487 CA VAL A 33 -9.794 -7.080 -6.625 1.00 15.54 C ATOM 488 C VAL A 33 -10.224 -6.072 -7.723 1.00 35.53 C ATOM 489 O VAL A 33 -11.135 -6.363 -8.509 1.00 64.34 O ATOM 490 CB VAL A 33 -10.609 -6.856 -5.288 1.00 41.14 C ATOM 491 CG1 VAL A 33 -10.298 -5.498 -4.628 1.00 33.54 C ATOM 492 CG2 VAL A 33 -12.129 -7.027 -5.513 1.00 61.25 C ATOM 0 H VAL A 33 -8.060 -6.624 -5.505 1.00 52.22 H new ATOM 0 HA VAL A 33 -10.034 -8.080 -6.985 1.00 15.54 H new ATOM 0 HB VAL A 33 -10.281 -7.631 -4.595 1.00 41.14 H new ATOM 0 HG11 VAL A 33 -10.884 -5.395 -3.714 1.00 33.54 H new ATOM 0 HG12 VAL A 33 -9.236 -5.445 -4.387 1.00 33.54 H new ATOM 0 HG13 VAL A 33 -10.554 -4.692 -5.316 1.00 33.54 H new ATOM 0 HG21 VAL A 33 -12.656 -6.866 -4.573 1.00 61.25 H new ATOM 0 HG22 VAL A 33 -12.472 -6.301 -6.250 1.00 61.25 H new ATOM 0 HG23 VAL A 33 -12.332 -8.035 -5.875 1.00 61.25 H new ATOM 502 N HIS A 34 -9.547 -4.907 -7.789 1.00 14.44 N ATOM 503 CA HIS A 34 -9.812 -3.895 -8.841 1.00 12.44 C ATOM 504 C HIS A 34 -9.355 -4.408 -10.216 1.00 12.24 C ATOM 505 O HIS A 34 -10.044 -4.189 -11.215 1.00 63.23 O ATOM 506 CB HIS A 34 -9.150 -2.527 -8.500 1.00 44.21 C ATOM 507 CG HIS A 34 -9.930 -1.681 -7.524 1.00 21.41 C ATOM 508 ND1 HIS A 34 -10.288 -0.375 -7.782 1.00 64.14 N ATOM 509 CD2 HIS A 34 -10.430 -1.959 -6.296 1.00 41.03 C ATOM 510 CE1 HIS A 34 -10.973 0.101 -6.763 1.00 31.02 C ATOM 511 NE2 HIS A 34 -11.077 -0.839 -5.850 1.00 0.32 N ATOM 0 H HIS A 34 -8.815 -4.641 -7.130 1.00 14.44 H new ATOM 0 HA HIS A 34 -10.889 -3.731 -8.881 1.00 12.44 H new ATOM 0 HB2 HIS A 34 -8.157 -2.710 -8.090 1.00 44.21 H new ATOM 0 HB3 HIS A 34 -9.014 -1.963 -9.423 1.00 44.21 H new ATOM 0 HD2 HIS A 34 -10.335 -2.895 -5.765 1.00 41.03 H new ATOM 0 HE1 HIS A 34 -11.381 1.098 -6.690 1.00 31.02 H new ATOM 0 HE2 HIS A 34 -11.560 -0.748 -4.956 1.00 0.32 H new ATOM 520 N LYS A 35 -8.197 -5.108 -10.244 1.00 32.30 N ATOM 521 CA LYS A 35 -7.694 -5.782 -11.458 1.00 70.45 C ATOM 522 C LYS A 35 -8.701 -6.863 -11.902 1.00 33.32 C ATOM 523 O LYS A 35 -9.005 -6.981 -13.093 1.00 63.32 O ATOM 524 CB LYS A 35 -6.270 -6.388 -11.188 1.00 12.20 C ATOM 525 CG LYS A 35 -5.542 -7.031 -12.413 1.00 45.05 C ATOM 526 CD LYS A 35 -6.022 -8.474 -12.760 1.00 44.12 C ATOM 527 CE LYS A 35 -5.298 -9.078 -13.970 1.00 34.23 C ATOM 528 NZ LYS A 35 -3.849 -9.280 -13.700 1.00 43.12 N ATOM 0 H LYS A 35 -7.591 -5.219 -9.431 1.00 32.30 H new ATOM 0 HA LYS A 35 -7.594 -5.059 -12.268 1.00 70.45 H new ATOM 0 HB2 LYS A 35 -5.633 -5.599 -10.789 1.00 12.20 H new ATOM 0 HB3 LYS A 35 -6.364 -7.146 -10.410 1.00 12.20 H new ATOM 0 HG2 LYS A 35 -5.689 -6.393 -13.284 1.00 45.05 H new ATOM 0 HG3 LYS A 35 -4.471 -7.055 -12.212 1.00 45.05 H new ATOM 0 HD2 LYS A 35 -5.869 -9.119 -11.894 1.00 44.12 H new ATOM 0 HD3 LYS A 35 -7.094 -8.455 -12.958 1.00 44.12 H new ATOM 0 HE2 LYS A 35 -5.756 -10.032 -14.229 1.00 34.23 H new ATOM 0 HE3 LYS A 35 -5.420 -8.422 -14.832 1.00 34.23 H new ATOM 0 HZ1 LYS A 35 -3.393 -9.690 -14.540 1.00 43.12 H new ATOM 0 HZ2 LYS A 35 -3.407 -8.366 -13.477 1.00 43.12 H new ATOM 0 HZ3 LYS A 35 -3.733 -9.926 -12.894 1.00 43.12 H new ATOM 542 N ARG A 36 -9.213 -7.618 -10.909 1.00 45.14 N ATOM 543 CA ARG A 36 -10.139 -8.744 -11.123 1.00 30.02 C ATOM 544 C ARG A 36 -11.439 -8.256 -11.793 1.00 62.51 C ATOM 545 O ARG A 36 -11.975 -8.919 -12.688 1.00 55.50 O ATOM 546 CB ARG A 36 -10.462 -9.430 -9.762 1.00 51.15 C ATOM 547 CG ARG A 36 -11.164 -10.805 -9.870 1.00 61.44 C ATOM 548 CD ARG A 36 -10.211 -11.900 -10.376 1.00 62.11 C ATOM 549 NE ARG A 36 -9.074 -12.104 -9.452 1.00 41.04 N ATOM 550 CZ ARG A 36 -7.942 -12.761 -9.745 1.00 5.34 C ATOM 551 NH1 ARG A 36 -7.758 -13.304 -10.939 1.00 4.21 N ATOM 552 NH2 ARG A 36 -6.988 -12.872 -8.838 1.00 75.42 N ATOM 0 H ARG A 36 -8.992 -7.460 -9.926 1.00 45.14 H new ATOM 0 HA ARG A 36 -9.662 -9.468 -11.784 1.00 30.02 H new ATOM 0 HB2 ARG A 36 -9.532 -9.557 -9.207 1.00 51.15 H new ATOM 0 HB3 ARG A 36 -11.094 -8.762 -9.177 1.00 51.15 H new ATOM 0 HG2 ARG A 36 -11.557 -11.089 -8.894 1.00 61.44 H new ATOM 0 HG3 ARG A 36 -12.016 -10.725 -10.545 1.00 61.44 H new ATOM 0 HD2 ARG A 36 -10.759 -12.835 -10.491 1.00 62.11 H new ATOM 0 HD3 ARG A 36 -9.835 -11.628 -11.362 1.00 62.11 H new ATOM 0 HE ARG A 36 -9.158 -11.712 -8.514 1.00 41.04 H new ATOM 0 HH11 ARG A 36 -8.483 -13.226 -11.652 1.00 4.21 H new ATOM 0 HH12 ARG A 36 -6.891 -13.800 -11.145 1.00 4.21 H new ATOM 0 HH21 ARG A 36 -7.112 -12.458 -7.914 1.00 75.42 H new ATOM 0 HH22 ARG A 36 -6.127 -13.372 -9.062 1.00 75.42 H new ATOM 566 N SER A 37 -11.906 -7.070 -11.348 1.00 41.24 N ATOM 567 CA SER A 37 -13.093 -6.402 -11.902 1.00 1.33 C ATOM 568 C SER A 37 -12.853 -5.963 -13.361 1.00 21.22 C ATOM 569 O SER A 37 -13.771 -5.997 -14.184 1.00 61.51 O ATOM 570 CB SER A 37 -13.451 -5.178 -11.033 1.00 74.34 C ATOM 571 OG SER A 37 -13.639 -5.553 -9.681 1.00 72.40 O ATOM 0 H SER A 37 -11.464 -6.550 -10.590 1.00 41.24 H new ATOM 0 HA SER A 37 -13.922 -7.109 -11.895 1.00 1.33 H new ATOM 0 HB2 SER A 37 -12.657 -4.435 -11.101 1.00 74.34 H new ATOM 0 HB3 SER A 37 -14.359 -4.710 -11.414 1.00 74.34 H new ATOM 0 HG SER A 37 -12.778 -5.812 -9.291 1.00 72.40 H new ATOM 577 N HIS A 38 -11.608 -5.548 -13.658 1.00 14.33 N ATOM 578 CA HIS A 38 -11.206 -5.096 -15.003 1.00 72.02 C ATOM 579 C HIS A 38 -11.006 -6.277 -15.966 1.00 53.41 C ATOM 580 O HIS A 38 -11.099 -6.097 -17.185 1.00 21.23 O ATOM 581 CB HIS A 38 -9.923 -4.233 -14.926 1.00 31.41 C ATOM 582 CG HIS A 38 -10.143 -2.900 -14.268 1.00 12.23 C ATOM 583 ND1 HIS A 38 -9.343 -2.409 -13.261 1.00 53.34 N ATOM 584 CD2 HIS A 38 -11.063 -1.939 -14.507 1.00 45.43 C ATOM 585 CE1 HIS A 38 -9.766 -1.212 -12.914 1.00 12.52 C ATOM 586 NE2 HIS A 38 -10.806 -0.906 -13.654 1.00 30.11 N ATOM 0 H HIS A 38 -10.853 -5.516 -12.973 1.00 14.33 H new ATOM 0 HA HIS A 38 -12.017 -4.485 -15.399 1.00 72.02 H new ATOM 0 HB2 HIS A 38 -9.158 -4.780 -14.376 1.00 31.41 H new ATOM 0 HB3 HIS A 38 -9.539 -4.074 -15.934 1.00 31.41 H new ATOM 0 HD2 HIS A 38 -11.856 -1.981 -15.239 1.00 45.43 H new ATOM 0 HE1 HIS A 38 -9.330 -0.587 -12.149 1.00 12.52 H new ATOM 0 HE2 HIS A 38 -11.336 -0.036 -13.600 1.00 30.11 H new ATOM 595 N THR A 39 -10.726 -7.471 -15.413 1.00 54.50 N ATOM 596 CA THR A 39 -10.618 -8.703 -16.207 1.00 51.42 C ATOM 597 C THR A 39 -12.028 -9.143 -16.645 1.00 31.50 C ATOM 598 O THR A 39 -12.949 -9.192 -15.814 1.00 24.02 O ATOM 599 CB THR A 39 -9.911 -9.844 -15.412 1.00 45.50 C ATOM 600 OG1 THR A 39 -8.628 -9.384 -14.939 1.00 25.54 O ATOM 601 CG2 THR A 39 -9.720 -11.122 -16.271 1.00 10.43 C ATOM 0 H THR A 39 -10.570 -7.606 -14.414 1.00 54.50 H new ATOM 0 HA THR A 39 -10.004 -8.498 -17.084 1.00 51.42 H new ATOM 0 HB THR A 39 -10.552 -10.104 -14.569 1.00 45.50 H new ATOM 0 HG1 THR A 39 -8.757 -8.643 -14.311 1.00 25.54 H new ATOM 0 HG21 THR A 39 -9.224 -11.889 -15.676 1.00 10.43 H new ATOM 0 HG22 THR A 39 -10.693 -11.489 -16.598 1.00 10.43 H new ATOM 0 HG23 THR A 39 -9.109 -10.887 -17.142 1.00 10.43 H new ATOM 609 N GLY A 40 -12.188 -9.411 -17.955 1.00 63.50 N ATOM 610 CA GLY A 40 -13.469 -9.816 -18.524 1.00 33.05 C ATOM 611 C GLY A 40 -13.989 -11.129 -17.954 1.00 62.22 C ATOM 612 O GLY A 40 -14.889 -11.136 -17.107 1.00 74.22 O ATOM 0 H GLY A 40 -11.432 -9.351 -18.637 1.00 63.50 H new ATOM 0 HA2 GLY A 40 -14.204 -9.032 -18.343 1.00 33.05 H new ATOM 0 HA3 GLY A 40 -13.365 -9.912 -19.605 1.00 33.05 H new ATOM 616 N GLU A 41 -13.398 -12.236 -18.410 1.00 23.13 N ATOM 617 CA GLU A 41 -13.740 -13.601 -17.965 1.00 61.23 C ATOM 618 C GLU A 41 -12.490 -14.493 -18.064 1.00 63.31 C ATOM 619 O GLU A 41 -12.198 -15.282 -17.160 1.00 71.44 O ATOM 620 CB GLU A 41 -14.964 -14.188 -18.777 1.00 50.22 C ATOM 621 CG GLU A 41 -15.251 -13.549 -20.167 1.00 14.12 C ATOM 622 CD GLU A 41 -14.151 -13.764 -21.221 1.00 4.44 C ATOM 623 OE1 GLU A 41 -14.169 -14.803 -21.909 1.00 42.44 O ATOM 624 OE2 GLU A 41 -13.250 -12.898 -21.362 1.00 61.02 O ATOM 0 H GLU A 41 -12.656 -12.215 -19.110 1.00 23.13 H new ATOM 0 HA GLU A 41 -14.060 -13.570 -16.924 1.00 61.23 H new ATOM 0 HB2 GLU A 41 -14.796 -15.255 -18.921 1.00 50.22 H new ATOM 0 HB3 GLU A 41 -15.859 -14.086 -18.164 1.00 50.22 H new ATOM 0 HG2 GLU A 41 -16.186 -13.956 -20.551 1.00 14.12 H new ATOM 0 HG3 GLU A 41 -15.401 -12.478 -20.034 1.00 14.12 H new ATOM 631 N ARG A 42 -11.749 -14.330 -19.168 1.00 42.02 N ATOM 632 CA ARG A 42 -10.474 -15.012 -19.413 1.00 54.23 C ATOM 633 C ARG A 42 -9.336 -13.991 -19.246 1.00 14.14 C ATOM 634 O ARG A 42 -9.322 -12.987 -19.966 1.00 63.54 O ATOM 635 CB ARG A 42 -10.452 -15.629 -20.839 1.00 73.54 C ATOM 636 CG ARG A 42 -11.538 -16.705 -21.079 1.00 64.23 C ATOM 637 CD ARG A 42 -11.501 -17.292 -22.499 1.00 5.45 C ATOM 638 NE ARG A 42 -11.822 -16.293 -23.538 1.00 15.12 N ATOM 639 CZ ARG A 42 -11.507 -16.409 -24.845 1.00 63.12 C ATOM 640 NH1 ARG A 42 -10.861 -17.485 -25.301 1.00 13.12 N ATOM 641 NH2 ARG A 42 -11.853 -15.454 -25.695 1.00 2.42 N ATOM 0 H ARG A 42 -12.025 -13.709 -19.929 1.00 42.02 H new ATOM 0 HA ARG A 42 -10.346 -15.826 -18.699 1.00 54.23 H new ATOM 0 HB2 ARG A 42 -10.579 -14.831 -21.570 1.00 73.54 H new ATOM 0 HB3 ARG A 42 -9.472 -16.072 -21.017 1.00 73.54 H new ATOM 0 HG2 ARG A 42 -11.409 -17.510 -20.356 1.00 64.23 H new ATOM 0 HG3 ARG A 42 -12.520 -16.268 -20.898 1.00 64.23 H new ATOM 0 HD2 ARG A 42 -10.511 -17.705 -22.691 1.00 5.45 H new ATOM 0 HD3 ARG A 42 -12.209 -18.118 -22.565 1.00 5.45 H new ATOM 0 HE ARG A 42 -12.319 -15.452 -23.246 1.00 15.12 H new ATOM 0 HH11 ARG A 42 -10.599 -18.233 -24.659 1.00 13.12 H new ATOM 0 HH12 ARG A 42 -10.629 -17.559 -26.292 1.00 13.12 H new ATOM 0 HH21 ARG A 42 -12.357 -14.632 -25.361 1.00 2.42 H new ATOM 0 HH22 ARG A 42 -11.616 -15.540 -26.683 1.00 2.42 H new ATOM 655 N PRO A 43 -8.407 -14.180 -18.253 1.00 71.12 N ATOM 656 CA PRO A 43 -7.185 -13.354 -18.148 1.00 15.42 C ATOM 657 C PRO A 43 -6.272 -13.589 -19.370 1.00 13.11 C ATOM 658 O PRO A 43 -5.637 -14.646 -19.477 1.00 11.52 O ATOM 659 CB PRO A 43 -6.524 -13.819 -16.810 1.00 62.15 C ATOM 660 CG PRO A 43 -7.608 -14.567 -16.073 1.00 41.13 C ATOM 661 CD PRO A 43 -8.494 -15.170 -17.143 1.00 4.31 C ATOM 0 HA PRO A 43 -7.385 -12.282 -18.141 1.00 15.42 H new ATOM 0 HB2 PRO A 43 -5.662 -14.459 -16.998 1.00 62.15 H new ATOM 0 HB3 PRO A 43 -6.168 -12.968 -16.230 1.00 62.15 H new ATOM 0 HG2 PRO A 43 -7.184 -15.342 -15.434 1.00 41.13 H new ATOM 0 HG3 PRO A 43 -8.176 -13.897 -15.427 1.00 41.13 H new ATOM 0 HD2 PRO A 43 -8.140 -16.154 -17.452 1.00 4.31 H new ATOM 0 HD3 PRO A 43 -9.519 -15.295 -16.794 1.00 4.31 H new ATOM 669 N PHE A 44 -6.274 -12.620 -20.307 1.00 51.50 N ATOM 670 CA PHE A 44 -5.507 -12.695 -21.561 1.00 43.15 C ATOM 671 C PHE A 44 -4.003 -12.492 -21.288 1.00 3.14 C ATOM 672 O PHE A 44 -3.458 -11.418 -21.500 1.00 53.24 O ATOM 673 CB PHE A 44 -6.055 -11.670 -22.612 1.00 62.32 C ATOM 674 CG PHE A 44 -7.407 -12.073 -23.196 1.00 60.22 C ATOM 675 CD1 PHE A 44 -7.479 -12.989 -24.245 1.00 2.13 C ATOM 676 CD2 PHE A 44 -8.596 -11.572 -22.671 1.00 43.13 C ATOM 677 CE1 PHE A 44 -8.702 -13.387 -24.754 1.00 2.51 C ATOM 678 CE2 PHE A 44 -9.814 -11.975 -23.173 1.00 2.52 C ATOM 679 CZ PHE A 44 -9.870 -12.882 -24.214 1.00 71.21 C ATOM 0 H PHE A 44 -6.812 -11.759 -20.212 1.00 51.50 H new ATOM 0 HA PHE A 44 -5.631 -13.690 -21.987 1.00 43.15 H new ATOM 0 HB2 PHE A 44 -6.147 -10.691 -22.142 1.00 62.32 H new ATOM 0 HB3 PHE A 44 -5.332 -11.568 -23.422 1.00 62.32 H new ATOM 0 HD1 PHE A 44 -6.569 -13.392 -24.665 1.00 2.13 H new ATOM 0 HD2 PHE A 44 -8.563 -10.859 -21.861 1.00 43.13 H new ATOM 0 HE1 PHE A 44 -8.744 -14.091 -25.572 1.00 2.51 H new ATOM 0 HE2 PHE A 44 -10.727 -11.581 -22.752 1.00 2.52 H new ATOM 0 HZ PHE A 44 -10.826 -13.196 -24.606 1.00 71.21 H new ATOM 689 N HIS A 45 -3.346 -13.560 -20.811 1.00 31.02 N ATOM 690 CA HIS A 45 -1.944 -13.514 -20.401 1.00 73.22 C ATOM 691 C HIS A 45 -1.047 -13.885 -21.589 1.00 44.35 C ATOM 692 O HIS A 45 -1.295 -14.876 -22.289 1.00 24.44 O ATOM 693 CB HIS A 45 -1.701 -14.456 -19.189 1.00 64.21 C ATOM 694 CG HIS A 45 -1.969 -15.924 -19.449 1.00 70.54 C ATOM 695 ND1 HIS A 45 -3.234 -16.466 -19.489 1.00 42.10 N ATOM 696 CD2 HIS A 45 -1.121 -16.951 -19.692 1.00 75.01 C ATOM 697 CE1 HIS A 45 -3.146 -17.756 -19.745 1.00 42.54 C ATOM 698 NE2 HIS A 45 -1.878 -18.069 -19.872 1.00 21.01 N ATOM 0 H HIS A 45 -3.777 -14.478 -20.701 1.00 31.02 H new ATOM 0 HA HIS A 45 -1.693 -12.502 -20.084 1.00 73.22 H new ATOM 0 HB2 HIS A 45 -0.667 -14.344 -18.864 1.00 64.21 H new ATOM 0 HB3 HIS A 45 -2.332 -14.129 -18.363 1.00 64.21 H new ATOM 0 HD1 HIS A 45 -4.102 -15.951 -19.344 1.00 42.10 H new ATOM 0 HD2 HIS A 45 -0.043 -16.894 -19.735 1.00 75.01 H new ATOM 0 HE1 HIS A 45 -3.977 -18.440 -19.835 1.00 42.54 H new ATOM 707 N CYS A 46 -0.038 -13.046 -21.838 1.00 4.24 N ATOM 708 CA CYS A 46 0.979 -13.299 -22.845 1.00 71.02 C ATOM 709 C CYS A 46 1.896 -14.440 -22.382 1.00 13.53 C ATOM 710 O CYS A 46 2.668 -14.283 -21.430 1.00 10.14 O ATOM 711 CB CYS A 46 1.780 -12.026 -23.118 1.00 43.32 C ATOM 712 SG CYS A 46 3.000 -12.212 -24.454 1.00 44.15 S ATOM 0 H CYS A 46 0.091 -12.166 -21.338 1.00 4.24 H new ATOM 0 HA CYS A 46 0.498 -13.600 -23.776 1.00 71.02 H new ATOM 0 HB2 CYS A 46 1.092 -11.221 -23.374 1.00 43.32 H new ATOM 0 HB3 CYS A 46 2.295 -11.727 -22.205 1.00 43.32 H new ATOM 0 HG CYS A 46 4.105 -11.615 -24.119 1.00 44.15 H new ATOM 717 N ASN A 47 1.775 -15.600 -23.056 1.00 2.02 N ATOM 718 CA ASN A 47 2.575 -16.815 -22.762 1.00 52.15 C ATOM 719 C ASN A 47 4.080 -16.570 -22.992 1.00 33.43 C ATOM 720 O ASN A 47 4.925 -17.225 -22.370 1.00 43.32 O ATOM 721 CB ASN A 47 2.062 -17.998 -23.628 1.00 43.22 C ATOM 722 CG ASN A 47 0.599 -18.385 -23.330 1.00 13.14 C ATOM 723 OD1 ASN A 47 0.127 -18.318 -22.195 1.00 12.22 O ATOM 724 ND2 ASN A 47 -0.128 -18.782 -24.359 1.00 60.01 N ATOM 0 H ASN A 47 1.117 -15.726 -23.825 1.00 2.02 H new ATOM 0 HA ASN A 47 2.451 -17.066 -21.709 1.00 52.15 H new ATOM 0 HB2 ASN A 47 2.153 -17.734 -24.682 1.00 43.22 H new ATOM 0 HB3 ASN A 47 2.701 -18.865 -23.461 1.00 43.22 H new ATOM 0 HD21 ASN A 47 -1.105 -19.042 -24.223 1.00 60.01 H new ATOM 0 HD22 ASN A 47 0.288 -18.829 -25.289 1.00 60.01 H new ATOM 731 N GLN A 48 4.393 -15.612 -23.887 1.00 54.01 N ATOM 732 CA GLN A 48 5.753 -15.140 -24.131 1.00 50.11 C ATOM 733 C GLN A 48 5.848 -13.708 -23.592 1.00 4.44 C ATOM 734 O GLN A 48 5.752 -12.753 -24.376 1.00 23.12 O ATOM 735 CB GLN A 48 6.080 -15.241 -25.671 1.00 61.31 C ATOM 736 CG GLN A 48 7.579 -15.251 -26.074 1.00 24.03 C ATOM 737 CD GLN A 48 8.346 -13.985 -25.684 1.00 44.01 C ATOM 738 OE1 GLN A 48 8.404 -13.012 -26.438 1.00 51.40 O ATOM 739 NE2 GLN A 48 8.946 -13.993 -24.505 1.00 42.41 N ATOM 0 H GLN A 48 3.693 -15.144 -24.463 1.00 54.01 H new ATOM 0 HA GLN A 48 6.495 -15.753 -23.619 1.00 50.11 H new ATOM 0 HB2 GLN A 48 5.620 -16.151 -26.056 1.00 61.31 H new ATOM 0 HB3 GLN A 48 5.599 -14.403 -26.175 1.00 61.31 H new ATOM 0 HG2 GLN A 48 8.062 -16.111 -25.610 1.00 24.03 H new ATOM 0 HG3 GLN A 48 7.652 -15.388 -27.153 1.00 24.03 H new ATOM 0 HE21 GLN A 48 8.879 -14.814 -23.904 1.00 42.41 H new ATOM 0 HE22 GLN A 48 9.476 -13.178 -24.197 1.00 42.41 H new ATOM 748 N CYS A 49 5.883 -13.588 -22.246 1.00 50.30 N ATOM 749 CA CYS A 49 6.109 -12.313 -21.483 1.00 22.20 C ATOM 750 C CYS A 49 5.920 -12.567 -19.978 1.00 21.50 C ATOM 751 O CYS A 49 6.719 -12.098 -19.158 1.00 51.14 O ATOM 752 CB CYS A 49 5.169 -11.142 -21.888 1.00 4.33 C ATOM 753 SG CYS A 49 5.658 -10.228 -23.385 1.00 55.31 S ATOM 0 H CYS A 49 5.752 -14.391 -21.631 1.00 50.30 H new ATOM 0 HA CYS A 49 7.127 -12.011 -21.727 1.00 22.20 H new ATOM 0 HB2 CYS A 49 4.165 -11.540 -22.038 1.00 4.33 H new ATOM 0 HB3 CYS A 49 5.113 -10.440 -21.056 1.00 4.33 H new ATOM 0 HG CYS A 49 5.741 -11.051 -24.388 1.00 55.31 H new ATOM 758 N GLY A 50 4.840 -13.299 -19.642 1.00 12.44 N ATOM 759 CA GLY A 50 4.324 -13.345 -18.266 1.00 54.44 C ATOM 760 C GLY A 50 3.563 -12.069 -17.921 1.00 11.24 C ATOM 761 O GLY A 50 3.406 -11.718 -16.747 1.00 71.41 O ATOM 0 H GLY A 50 4.311 -13.865 -20.306 1.00 12.44 H new ATOM 0 HA2 GLY A 50 3.667 -14.207 -18.150 1.00 54.44 H new ATOM 0 HA3 GLY A 50 5.151 -13.479 -17.569 1.00 54.44 H new ATOM 765 N ALA A 51 3.081 -11.387 -18.977 1.00 35.25 N ATOM 766 CA ALA A 51 2.356 -10.110 -18.867 1.00 63.53 C ATOM 767 C ALA A 51 0.852 -10.365 -18.923 1.00 45.03 C ATOM 768 O ALA A 51 0.401 -11.247 -19.655 1.00 62.15 O ATOM 769 CB ALA A 51 2.788 -9.151 -19.988 1.00 41.24 C ATOM 0 H ALA A 51 3.186 -11.711 -19.938 1.00 35.25 H new ATOM 0 HA ALA A 51 2.597 -9.644 -17.912 1.00 63.53 H new ATOM 0 HB1 ALA A 51 2.243 -8.212 -19.893 1.00 41.24 H new ATOM 0 HB2 ALA A 51 3.858 -8.959 -19.911 1.00 41.24 H new ATOM 0 HB3 ALA A 51 2.569 -9.601 -20.956 1.00 41.24 H new ATOM 775 N SER A 52 0.069 -9.591 -18.161 1.00 43.15 N ATOM 776 CA SER A 52 -1.384 -9.797 -18.054 1.00 13.54 C ATOM 777 C SER A 52 -2.145 -8.707 -18.822 1.00 43.23 C ATOM 778 O SER A 52 -1.921 -7.512 -18.609 1.00 14.31 O ATOM 779 CB SER A 52 -1.801 -9.805 -16.571 1.00 54.03 C ATOM 780 OG SER A 52 -3.176 -10.125 -16.410 1.00 64.13 O ATOM 0 H SER A 52 0.419 -8.811 -17.605 1.00 43.15 H new ATOM 0 HA SER A 52 -1.636 -10.760 -18.498 1.00 13.54 H new ATOM 0 HB2 SER A 52 -1.194 -10.528 -16.027 1.00 54.03 H new ATOM 0 HB3 SER A 52 -1.602 -8.827 -16.132 1.00 54.03 H new ATOM 0 HG SER A 52 -3.704 -9.300 -16.395 1.00 64.13 H new ATOM 786 N PHE A 53 -3.045 -9.140 -19.717 1.00 12.21 N ATOM 787 CA PHE A 53 -3.963 -8.265 -20.461 1.00 42.01 C ATOM 788 C PHE A 53 -5.403 -8.707 -20.154 1.00 44.04 C ATOM 789 O PHE A 53 -5.627 -9.805 -19.633 1.00 64.21 O ATOM 790 CB PHE A 53 -3.708 -8.344 -22.007 1.00 4.14 C ATOM 791 CG PHE A 53 -2.277 -8.024 -22.455 1.00 52.41 C ATOM 792 CD1 PHE A 53 -1.269 -8.991 -22.381 1.00 63.43 C ATOM 793 CD2 PHE A 53 -1.941 -6.761 -22.942 1.00 43.05 C ATOM 794 CE1 PHE A 53 0.018 -8.701 -22.784 1.00 2.44 C ATOM 795 CE2 PHE A 53 -0.654 -6.476 -23.344 1.00 54.11 C ATOM 796 CZ PHE A 53 0.325 -7.445 -23.259 1.00 4.01 C ATOM 0 H PHE A 53 -3.157 -10.127 -19.948 1.00 12.21 H new ATOM 0 HA PHE A 53 -3.797 -7.233 -20.152 1.00 42.01 H new ATOM 0 HB2 PHE A 53 -3.962 -9.347 -22.349 1.00 4.14 H new ATOM 0 HB3 PHE A 53 -4.389 -7.655 -22.506 1.00 4.14 H new ATOM 0 HD1 PHE A 53 -1.501 -9.976 -22.004 1.00 63.43 H new ATOM 0 HD2 PHE A 53 -2.700 -5.995 -23.005 1.00 43.05 H new ATOM 0 HE1 PHE A 53 0.785 -9.459 -22.727 1.00 2.44 H new ATOM 0 HE2 PHE A 53 -0.412 -5.495 -23.725 1.00 54.11 H new ATOM 0 HZ PHE A 53 1.335 -7.218 -23.566 1.00 4.01 H new ATOM 806 N THR A 54 -6.364 -7.841 -20.459 1.00 70.43 N ATOM 807 CA THR A 54 -7.799 -8.186 -20.443 1.00 44.12 C ATOM 808 C THR A 54 -8.428 -7.847 -21.811 1.00 23.45 C ATOM 809 O THR A 54 -9.628 -8.039 -22.023 1.00 33.11 O ATOM 810 CB THR A 54 -8.539 -7.452 -19.273 1.00 32.50 C ATOM 811 OG1 THR A 54 -9.935 -7.801 -19.259 1.00 25.52 O ATOM 812 CG2 THR A 54 -8.394 -5.918 -19.344 1.00 22.44 C ATOM 0 H THR A 54 -6.179 -6.874 -20.726 1.00 70.43 H new ATOM 0 HA THR A 54 -7.906 -9.257 -20.268 1.00 44.12 H new ATOM 0 HB THR A 54 -8.063 -7.786 -18.351 1.00 32.50 H new ATOM 0 HG1 THR A 54 -10.408 -7.234 -18.614 1.00 25.52 H new ATOM 0 HG21 THR A 54 -8.927 -5.463 -18.509 1.00 22.44 H new ATOM 0 HG22 THR A 54 -7.339 -5.649 -19.291 1.00 22.44 H new ATOM 0 HG23 THR A 54 -8.814 -5.556 -20.282 1.00 22.44 H new ATOM 820 N GLN A 55 -7.581 -7.373 -22.751 1.00 53.20 N ATOM 821 CA GLN A 55 -7.998 -6.959 -24.091 1.00 54.44 C ATOM 822 C GLN A 55 -7.414 -7.945 -25.115 1.00 32.33 C ATOM 823 O GLN A 55 -6.189 -8.084 -25.216 1.00 0.51 O ATOM 824 CB GLN A 55 -7.523 -5.505 -24.370 1.00 32.20 C ATOM 825 CG GLN A 55 -7.952 -4.468 -23.301 1.00 44.42 C ATOM 826 CD GLN A 55 -9.470 -4.283 -23.151 1.00 20.32 C ATOM 827 OE1 GLN A 55 -9.968 -4.038 -22.049 1.00 64.51 O ATOM 828 NE2 GLN A 55 -10.213 -4.344 -24.247 1.00 74.30 N ATOM 0 H GLN A 55 -6.579 -7.269 -22.590 1.00 53.20 H new ATOM 0 HA GLN A 55 -9.085 -6.971 -24.169 1.00 54.44 H new ATOM 0 HB2 GLN A 55 -6.436 -5.500 -24.445 1.00 32.20 H new ATOM 0 HB3 GLN A 55 -7.911 -5.190 -25.339 1.00 32.20 H new ATOM 0 HG2 GLN A 55 -7.541 -4.770 -22.338 1.00 44.42 H new ATOM 0 HG3 GLN A 55 -7.506 -3.505 -23.551 1.00 44.42 H new ATOM 0 HE21 GLN A 55 -9.779 -4.548 -25.147 1.00 74.30 H new ATOM 0 HE22 GLN A 55 -11.219 -4.187 -24.190 1.00 74.30 H new ATOM 837 N LYS A 56 -8.306 -8.640 -25.836 1.00 31.13 N ATOM 838 CA LYS A 56 -7.943 -9.647 -26.851 1.00 13.53 C ATOM 839 C LYS A 56 -7.197 -8.999 -28.019 1.00 31.31 C ATOM 840 O LYS A 56 -6.129 -9.459 -28.370 1.00 34.12 O ATOM 841 CB LYS A 56 -9.217 -10.407 -27.332 1.00 14.32 C ATOM 842 CG LYS A 56 -10.323 -9.491 -27.902 1.00 0.01 C ATOM 843 CD LYS A 56 -11.610 -10.252 -28.279 1.00 11.24 C ATOM 844 CE LYS A 56 -12.707 -9.316 -28.813 1.00 52.44 C ATOM 845 NZ LYS A 56 -13.978 -10.038 -29.083 1.00 51.02 N ATOM 0 H LYS A 56 -9.313 -8.519 -25.731 1.00 31.13 H new ATOM 0 HA LYS A 56 -7.267 -10.374 -26.400 1.00 13.53 H new ATOM 0 HB2 LYS A 56 -8.929 -11.129 -28.096 1.00 14.32 H new ATOM 0 HB3 LYS A 56 -9.626 -10.974 -26.496 1.00 14.32 H new ATOM 0 HG2 LYS A 56 -10.565 -8.724 -27.166 1.00 0.01 H new ATOM 0 HG3 LYS A 56 -9.941 -8.977 -28.784 1.00 0.01 H new ATOM 0 HD2 LYS A 56 -11.377 -11.003 -29.034 1.00 11.24 H new ATOM 0 HD3 LYS A 56 -11.984 -10.784 -27.404 1.00 11.24 H new ATOM 0 HE2 LYS A 56 -12.889 -8.522 -28.089 1.00 52.44 H new ATOM 0 HE3 LYS A 56 -12.360 -8.838 -29.730 1.00 52.44 H new ATOM 0 HZ1 LYS A 56 -14.688 -9.368 -29.441 1.00 51.02 H new ATOM 0 HZ2 LYS A 56 -13.812 -10.779 -29.793 1.00 51.02 H new ATOM 0 HZ3 LYS A 56 -14.324 -10.472 -28.204 1.00 51.02 H new ATOM 859 N GLY A 57 -7.745 -7.887 -28.561 1.00 4.12 N ATOM 860 CA GLY A 57 -7.160 -7.193 -29.709 1.00 11.34 C ATOM 861 C GLY A 57 -5.755 -6.667 -29.440 1.00 52.13 C ATOM 862 O GLY A 57 -4.950 -6.528 -30.370 1.00 24.22 O ATOM 0 H GLY A 57 -8.600 -7.455 -28.210 1.00 4.12 H new ATOM 0 HA2 GLY A 57 -7.130 -7.874 -30.560 1.00 11.34 H new ATOM 0 HA3 GLY A 57 -7.805 -6.360 -29.990 1.00 11.34 H new ATOM 866 N ASN A 58 -5.472 -6.382 -28.147 1.00 73.23 N ATOM 867 CA ASN A 58 -4.130 -6.021 -27.684 1.00 74.50 C ATOM 868 C ASN A 58 -3.216 -7.247 -27.754 1.00 71.22 C ATOM 869 O ASN A 58 -2.181 -7.196 -28.401 1.00 25.24 O ATOM 870 CB ASN A 58 -4.160 -5.453 -26.234 1.00 71.22 C ATOM 871 CG ASN A 58 -4.809 -4.069 -26.133 1.00 1.33 C ATOM 872 OD1 ASN A 58 -5.737 -3.740 -26.873 1.00 13.21 O ATOM 873 ND2 ASN A 58 -4.318 -3.246 -25.221 1.00 43.15 N ATOM 0 H ASN A 58 -6.172 -6.398 -27.405 1.00 73.23 H new ATOM 0 HA ASN A 58 -3.742 -5.239 -28.336 1.00 74.50 H new ATOM 0 HB2 ASN A 58 -4.702 -6.147 -25.592 1.00 71.22 H new ATOM 0 HB3 ASN A 58 -3.140 -5.396 -25.853 1.00 71.22 H new ATOM 0 HD21 ASN A 58 -4.709 -2.310 -25.116 1.00 43.15 H new ATOM 0 HD22 ASN A 58 -3.549 -3.548 -24.623 1.00 43.15 H new ATOM 880 N LEU A 59 -3.661 -8.360 -27.130 1.00 60.12 N ATOM 881 CA LEU A 59 -2.876 -9.606 -27.033 1.00 22.43 C ATOM 882 C LEU A 59 -2.585 -10.211 -28.429 1.00 32.35 C ATOM 883 O LEU A 59 -1.491 -10.716 -28.666 1.00 35.15 O ATOM 884 CB LEU A 59 -3.612 -10.651 -26.150 1.00 31.21 C ATOM 885 CG LEU A 59 -2.834 -11.988 -25.900 1.00 43.15 C ATOM 886 CD1 LEU A 59 -1.508 -11.737 -25.157 1.00 32.23 C ATOM 887 CD2 LEU A 59 -3.699 -13.026 -25.165 1.00 31.44 C ATOM 0 H LEU A 59 -4.575 -8.418 -26.680 1.00 60.12 H new ATOM 0 HA LEU A 59 -1.923 -9.351 -26.569 1.00 22.43 H new ATOM 0 HB2 LEU A 59 -3.834 -10.194 -25.186 1.00 31.21 H new ATOM 0 HB3 LEU A 59 -4.567 -10.889 -26.618 1.00 31.21 H new ATOM 0 HG LEU A 59 -2.592 -12.405 -26.878 1.00 43.15 H new ATOM 0 HD11 LEU A 59 -0.994 -12.685 -25.000 1.00 32.23 H new ATOM 0 HD12 LEU A 59 -0.877 -11.076 -25.752 1.00 32.23 H new ATOM 0 HD13 LEU A 59 -1.714 -11.272 -24.193 1.00 32.23 H new ATOM 0 HD21 LEU A 59 -3.122 -13.938 -25.012 1.00 31.44 H new ATOM 0 HD22 LEU A 59 -4.007 -12.625 -24.199 1.00 31.44 H new ATOM 0 HD23 LEU A 59 -4.582 -13.252 -25.762 1.00 31.44 H new ATOM 899 N LEU A 60 -3.565 -10.103 -29.349 1.00 54.31 N ATOM 900 CA LEU A 60 -3.508 -10.731 -30.682 1.00 10.33 C ATOM 901 C LEU A 60 -2.419 -10.082 -31.560 1.00 13.12 C ATOM 902 O LEU A 60 -1.728 -10.779 -32.314 1.00 14.34 O ATOM 903 CB LEU A 60 -4.901 -10.658 -31.376 1.00 20.40 C ATOM 904 CG LEU A 60 -6.061 -11.460 -30.707 1.00 60.10 C ATOM 905 CD1 LEU A 60 -7.389 -11.282 -31.481 1.00 21.32 C ATOM 906 CD2 LEU A 60 -5.699 -12.949 -30.542 1.00 31.51 C ATOM 0 H LEU A 60 -4.422 -9.575 -29.186 1.00 54.31 H new ATOM 0 HA LEU A 60 -3.242 -11.780 -30.552 1.00 10.33 H new ATOM 0 HB2 LEU A 60 -5.199 -9.611 -31.431 1.00 20.40 H new ATOM 0 HB3 LEU A 60 -4.789 -11.012 -32.401 1.00 20.40 H new ATOM 0 HG LEU A 60 -6.207 -11.050 -29.708 1.00 60.10 H new ATOM 0 HD11 LEU A 60 -8.176 -11.853 -30.989 1.00 21.32 H new ATOM 0 HD12 LEU A 60 -7.662 -10.227 -31.497 1.00 21.32 H new ATOM 0 HD13 LEU A 60 -7.265 -11.640 -32.503 1.00 21.32 H new ATOM 0 HD21 LEU A 60 -6.530 -13.476 -30.073 1.00 31.51 H new ATOM 0 HD22 LEU A 60 -5.499 -13.385 -31.521 1.00 31.51 H new ATOM 0 HD23 LEU A 60 -4.812 -13.040 -29.916 1.00 31.51 H new ATOM 918 N ARG A 61 -2.301 -8.742 -31.492 1.00 74.24 N ATOM 919 CA ARG A 61 -1.214 -8.018 -32.180 1.00 41.51 C ATOM 920 C ARG A 61 0.097 -8.079 -31.358 1.00 73.05 C ATOM 921 O ARG A 61 1.175 -8.066 -31.929 1.00 14.22 O ATOM 922 CB ARG A 61 -1.609 -6.553 -32.509 1.00 33.21 C ATOM 923 CG ARG A 61 -1.718 -5.601 -31.302 1.00 31.34 C ATOM 924 CD ARG A 61 -2.014 -4.145 -31.726 1.00 0.43 C ATOM 925 NE ARG A 61 -1.804 -3.207 -30.607 1.00 34.22 N ATOM 926 CZ ARG A 61 -1.203 -2.008 -30.698 1.00 64.40 C ATOM 927 NH1 ARG A 61 -0.735 -1.560 -31.864 1.00 50.21 N ATOM 928 NH2 ARG A 61 -1.049 -1.266 -29.613 1.00 63.03 N ATOM 0 H ARG A 61 -2.940 -8.142 -30.971 1.00 74.24 H new ATOM 0 HA ARG A 61 -1.039 -8.520 -33.132 1.00 41.51 H new ATOM 0 HB2 ARG A 61 -0.874 -6.146 -33.204 1.00 33.21 H new ATOM 0 HB3 ARG A 61 -2.568 -6.563 -33.028 1.00 33.21 H new ATOM 0 HG2 ARG A 61 -2.508 -5.951 -30.637 1.00 31.34 H new ATOM 0 HG3 ARG A 61 -0.788 -5.630 -30.735 1.00 31.34 H new ATOM 0 HD2 ARG A 61 -1.369 -3.869 -32.560 1.00 0.43 H new ATOM 0 HD3 ARG A 61 -3.042 -4.069 -32.079 1.00 0.43 H new ATOM 0 HE ARG A 61 -2.143 -3.492 -29.688 1.00 34.22 H new ATOM 0 HH11 ARG A 61 -0.831 -2.130 -32.705 1.00 50.21 H new ATOM 0 HH12 ARG A 61 -0.282 -0.648 -31.915 1.00 50.21 H new ATOM 0 HH21 ARG A 61 -1.386 -1.604 -28.712 1.00 63.03 H new ATOM 0 HH22 ARG A 61 -0.593 -0.356 -29.678 1.00 63.03 H new ATOM 942 N HIS A 62 -0.016 -8.176 -30.016 1.00 43.44 N ATOM 943 CA HIS A 62 1.153 -8.193 -29.098 1.00 50.23 C ATOM 944 C HIS A 62 2.040 -9.429 -29.358 1.00 22.31 C ATOM 945 O HIS A 62 3.271 -9.319 -29.434 1.00 71.44 O ATOM 946 CB HIS A 62 0.661 -8.160 -27.619 1.00 11.41 C ATOM 947 CG HIS A 62 1.732 -8.361 -26.574 1.00 34.22 C ATOM 948 ND1 HIS A 62 2.570 -7.368 -26.119 1.00 52.03 N ATOM 949 CD2 HIS A 62 2.078 -9.483 -25.890 1.00 0.33 C ATOM 950 CE1 HIS A 62 3.383 -7.899 -25.203 1.00 62.24 C ATOM 951 NE2 HIS A 62 3.124 -9.189 -25.023 1.00 10.35 N ATOM 0 H HIS A 62 -0.913 -8.245 -29.536 1.00 43.44 H new ATOM 0 HA HIS A 62 1.761 -7.308 -29.285 1.00 50.23 H new ATOM 0 HB2 HIS A 62 0.175 -7.201 -27.437 1.00 11.41 H new ATOM 0 HB3 HIS A 62 -0.098 -8.931 -27.489 1.00 11.41 H new ATOM 0 HD2 HIS A 62 1.613 -10.451 -26.002 1.00 0.33 H new ATOM 0 HE1 HIS A 62 4.151 -7.351 -24.677 1.00 62.24 H new ATOM 0 HE2 HIS A 62 3.594 -9.829 -24.383 1.00 10.35 H new ATOM 959 N ILE A 63 1.382 -10.597 -29.506 1.00 52.30 N ATOM 960 CA ILE A 63 2.055 -11.882 -29.776 1.00 12.44 C ATOM 961 C ILE A 63 2.717 -11.867 -31.171 1.00 14.44 C ATOM 962 O ILE A 63 3.745 -12.523 -31.380 1.00 3.23 O ATOM 963 CB ILE A 63 1.071 -13.118 -29.645 1.00 13.32 C ATOM 964 CG1 ILE A 63 -0.090 -13.045 -30.693 1.00 44.42 C ATOM 965 CG2 ILE A 63 0.515 -13.219 -28.206 1.00 53.14 C ATOM 966 CD1 ILE A 63 -1.065 -14.221 -30.680 1.00 62.02 C ATOM 0 H ILE A 63 0.367 -10.675 -29.441 1.00 52.30 H new ATOM 0 HA ILE A 63 2.827 -12.002 -29.016 1.00 12.44 H new ATOM 0 HB ILE A 63 1.642 -14.022 -29.857 1.00 13.32 H new ATOM 0 HG12 ILE A 63 -0.653 -12.127 -30.522 1.00 44.42 H new ATOM 0 HG13 ILE A 63 0.347 -12.970 -31.689 1.00 44.42 H new ATOM 0 HG21 ILE A 63 -0.158 -14.073 -28.135 1.00 53.14 H new ATOM 0 HG22 ILE A 63 1.340 -13.348 -27.505 1.00 53.14 H new ATOM 0 HG23 ILE A 63 -0.029 -12.307 -27.961 1.00 53.14 H new ATOM 0 HD11 ILE A 63 -1.828 -14.069 -31.443 1.00 62.02 H new ATOM 0 HD12 ILE A 63 -0.524 -15.145 -30.886 1.00 62.02 H new ATOM 0 HD13 ILE A 63 -1.540 -14.289 -29.701 1.00 62.02 H new ATOM 978 N LYS A 64 2.127 -11.082 -32.099 1.00 52.11 N ATOM 979 CA LYS A 64 2.615 -10.921 -33.468 1.00 41.54 C ATOM 980 C LYS A 64 3.904 -10.082 -33.457 1.00 11.02 C ATOM 981 O LYS A 64 4.949 -10.540 -33.926 1.00 64.03 O ATOM 982 CB LYS A 64 1.520 -10.235 -34.321 1.00 44.21 C ATOM 983 CG LYS A 64 1.809 -10.217 -35.829 1.00 52.12 C ATOM 984 CD LYS A 64 0.783 -9.388 -36.630 1.00 14.44 C ATOM 985 CE LYS A 64 -0.664 -9.864 -36.457 1.00 14.31 C ATOM 986 NZ LYS A 64 -1.589 -9.107 -37.336 1.00 33.33 N ATOM 0 H LYS A 64 1.286 -10.538 -31.905 1.00 52.11 H new ATOM 0 HA LYS A 64 2.840 -11.895 -33.903 1.00 41.54 H new ATOM 0 HB2 LYS A 64 0.572 -10.745 -34.151 1.00 44.21 H new ATOM 0 HB3 LYS A 64 1.397 -9.209 -33.975 1.00 44.21 H new ATOM 0 HG2 LYS A 64 2.806 -9.811 -35.997 1.00 52.12 H new ATOM 0 HG3 LYS A 64 1.814 -11.240 -36.205 1.00 52.12 H new ATOM 0 HD2 LYS A 64 0.852 -8.345 -36.322 1.00 14.44 H new ATOM 0 HD3 LYS A 64 1.045 -9.426 -37.687 1.00 14.44 H new ATOM 0 HE2 LYS A 64 -0.729 -10.928 -36.687 1.00 14.31 H new ATOM 0 HE3 LYS A 64 -0.967 -9.743 -35.417 1.00 14.31 H new ATOM 0 HZ1 LYS A 64 -2.560 -9.452 -37.197 1.00 33.33 H new ATOM 0 HZ2 LYS A 64 -1.543 -8.095 -37.099 1.00 33.33 H new ATOM 0 HZ3 LYS A 64 -1.313 -9.243 -38.329 1.00 33.33 H new ATOM 1000 N LEU A 65 3.816 -8.883 -32.833 1.00 60.12 N ATOM 1001 CA LEU A 65 4.918 -7.900 -32.722 1.00 14.42 C ATOM 1002 C LEU A 65 6.125 -8.438 -31.901 1.00 74.51 C ATOM 1003 O LEU A 65 7.161 -7.781 -31.849 1.00 4.54 O ATOM 1004 CB LEU A 65 4.385 -6.558 -32.112 1.00 53.25 C ATOM 1005 CG LEU A 65 3.773 -5.524 -33.124 1.00 2.55 C ATOM 1006 CD1 LEU A 65 2.499 -6.044 -33.811 1.00 30.40 C ATOM 1007 CD2 LEU A 65 3.532 -4.164 -32.443 1.00 61.04 C ATOM 0 H LEU A 65 2.957 -8.566 -32.383 1.00 60.12 H new ATOM 0 HA LEU A 65 5.287 -7.716 -33.731 1.00 14.42 H new ATOM 0 HB2 LEU A 65 3.625 -6.799 -31.369 1.00 53.25 H new ATOM 0 HB3 LEU A 65 5.206 -6.073 -31.583 1.00 53.25 H new ATOM 0 HG LEU A 65 4.509 -5.384 -33.915 1.00 2.55 H new ATOM 0 HD11 LEU A 65 2.122 -5.287 -34.498 1.00 30.40 H new ATOM 0 HD12 LEU A 65 2.730 -6.954 -34.365 1.00 30.40 H new ATOM 0 HD13 LEU A 65 1.742 -6.260 -33.058 1.00 30.40 H new ATOM 0 HD21 LEU A 65 3.108 -3.466 -33.165 1.00 61.04 H new ATOM 0 HD22 LEU A 65 2.839 -4.291 -31.611 1.00 61.04 H new ATOM 0 HD23 LEU A 65 4.478 -3.771 -32.070 1.00 61.04 H new ATOM 1019 N HIS A 66 5.965 -9.609 -31.239 1.00 11.51 N ATOM 1020 CA HIS A 66 7.071 -10.296 -30.520 1.00 61.41 C ATOM 1021 C HIS A 66 8.180 -10.761 -31.472 1.00 61.21 C ATOM 1022 O HIS A 66 9.356 -10.762 -31.101 1.00 45.22 O ATOM 1023 CB HIS A 66 6.545 -11.496 -29.677 1.00 40.31 C ATOM 1024 CG HIS A 66 6.054 -11.095 -28.324 1.00 2.30 C ATOM 1025 ND1 HIS A 66 6.698 -10.168 -27.543 1.00 11.22 N ATOM 1026 CD2 HIS A 66 5.009 -11.538 -27.598 1.00 44.31 C ATOM 1027 CE1 HIS A 66 6.054 -10.087 -26.388 1.00 60.21 C ATOM 1028 NE2 HIS A 66 5.010 -10.885 -26.378 1.00 22.50 N ATOM 0 H HIS A 66 5.074 -10.103 -31.187 1.00 11.51 H new ATOM 0 HA HIS A 66 7.502 -9.560 -29.842 1.00 61.41 H new ATOM 0 HB2 HIS A 66 5.736 -11.986 -30.219 1.00 40.31 H new ATOM 0 HB3 HIS A 66 7.343 -12.230 -29.564 1.00 40.31 H new ATOM 0 HD1 HIS A 66 7.527 -9.635 -27.806 1.00 11.22 H new ATOM 0 HD2 HIS A 66 4.290 -12.279 -27.915 1.00 44.31 H new ATOM 0 HE1 HIS A 66 6.347 -9.451 -25.566 1.00 60.21 H new ATOM 1036 N SER A 67 7.790 -11.158 -32.688 1.00 52.34 N ATOM 1037 CA SER A 67 8.747 -11.531 -33.741 1.00 54.01 C ATOM 1038 C SER A 67 9.411 -10.277 -34.336 1.00 64.51 C ATOM 1039 O SER A 67 8.877 -9.163 -34.207 1.00 60.35 O ATOM 1040 CB SER A 67 8.038 -12.356 -34.832 1.00 12.52 C ATOM 1041 OG SER A 67 7.455 -13.512 -34.274 1.00 42.01 O ATOM 0 H SER A 67 6.813 -11.230 -32.971 1.00 52.34 H new ATOM 0 HA SER A 67 9.532 -12.147 -33.303 1.00 54.01 H new ATOM 0 HB2 SER A 67 7.270 -11.750 -35.313 1.00 12.52 H new ATOM 0 HB3 SER A 67 8.753 -12.638 -35.605 1.00 12.52 H new ATOM 0 HG SER A 67 7.007 -14.025 -34.979 1.00 42.01 H new ATOM 1047 N GLY A 68 10.573 -10.476 -34.991 1.00 2.00 N ATOM 1048 CA GLY A 68 11.381 -9.376 -35.545 1.00 11.13 C ATOM 1049 C GLY A 68 10.731 -8.635 -36.715 1.00 53.41 C ATOM 1050 O GLY A 68 11.228 -7.579 -37.131 1.00 21.35 O ATOM 0 H GLY A 68 10.974 -11.400 -35.149 1.00 2.00 H new ATOM 0 HA2 GLY A 68 11.590 -8.660 -34.750 1.00 11.13 H new ATOM 0 HA3 GLY A 68 12.340 -9.777 -35.874 1.00 11.13 H new ATOM 1054 N GLU A 69 9.624 -9.183 -37.236 1.00 61.50 N ATOM 1055 CA GLU A 69 8.803 -8.551 -38.289 1.00 2.14 C ATOM 1056 C GLU A 69 7.920 -7.439 -37.654 1.00 1.52 C ATOM 1057 O GLU A 69 7.997 -7.205 -36.434 1.00 32.44 O ATOM 1058 CB GLU A 69 7.948 -9.663 -39.020 1.00 23.52 C ATOM 1059 CG GLU A 69 8.166 -9.778 -40.552 1.00 5.05 C ATOM 1060 CD GLU A 69 7.498 -8.650 -41.356 1.00 64.01 C ATOM 1061 OE1 GLU A 69 8.071 -7.542 -41.462 1.00 2.43 O ATOM 1062 OE2 GLU A 69 6.369 -8.850 -41.860 1.00 34.05 O ATOM 0 H GLU A 69 9.265 -10.090 -36.937 1.00 61.50 H new ATOM 0 HA GLU A 69 9.433 -8.076 -39.041 1.00 2.14 H new ATOM 0 HB2 GLU A 69 8.175 -10.627 -38.566 1.00 23.52 H new ATOM 0 HB3 GLU A 69 6.892 -9.464 -38.835 1.00 23.52 H new ATOM 0 HG2 GLU A 69 9.236 -9.776 -40.759 1.00 5.05 H new ATOM 0 HG3 GLU A 69 7.777 -10.737 -40.895 1.00 5.05 H new ATOM 1069 N LYS A 70 7.089 -6.774 -38.491 1.00 33.40 N ATOM 1070 CA LYS A 70 6.209 -5.642 -38.087 1.00 13.15 C ATOM 1071 C LYS A 70 7.027 -4.350 -37.816 1.00 35.13 C ATOM 1072 O LYS A 70 8.043 -4.401 -37.102 1.00 22.53 O ATOM 1073 CB LYS A 70 5.259 -5.967 -36.868 1.00 14.21 C ATOM 1074 CG LYS A 70 3.922 -6.695 -37.186 1.00 1.14 C ATOM 1075 CD LYS A 70 4.071 -8.128 -37.780 1.00 72.34 C ATOM 1076 CE LYS A 70 4.084 -8.167 -39.322 1.00 35.23 C ATOM 1077 NZ LYS A 70 4.333 -9.529 -39.854 1.00 11.05 N ATOM 0 H LYS A 70 7.007 -7.009 -39.480 1.00 33.40 H new ATOM 0 HA LYS A 70 5.555 -5.472 -38.943 1.00 13.15 H new ATOM 0 HB2 LYS A 70 5.816 -6.578 -36.158 1.00 14.21 H new ATOM 0 HB3 LYS A 70 5.022 -5.030 -36.364 1.00 14.21 H new ATOM 0 HG2 LYS A 70 3.335 -6.758 -36.270 1.00 1.14 H new ATOM 0 HG3 LYS A 70 3.353 -6.085 -37.888 1.00 1.14 H new ATOM 0 HD2 LYS A 70 4.995 -8.571 -37.407 1.00 72.34 H new ATOM 0 HD3 LYS A 70 3.251 -8.748 -37.417 1.00 72.34 H new ATOM 0 HE2 LYS A 70 3.129 -7.802 -39.699 1.00 35.23 H new ATOM 0 HE3 LYS A 70 4.853 -7.489 -39.693 1.00 35.23 H new ATOM 0 HZ1 LYS A 70 5.056 -9.483 -40.600 1.00 11.05 H new ATOM 0 HZ2 LYS A 70 4.666 -10.146 -39.086 1.00 11.05 H new ATOM 0 HZ3 LYS A 70 3.451 -9.914 -40.250 1.00 11.05 H new ATOM 1091 N PRO A 71 6.603 -3.176 -38.387 1.00 14.14 N ATOM 1092 CA PRO A 71 7.237 -1.872 -38.082 1.00 74.50 C ATOM 1093 C PRO A 71 6.909 -1.419 -36.640 1.00 31.14 C ATOM 1094 O PRO A 71 5.801 -1.659 -36.140 1.00 55.03 O ATOM 1095 CB PRO A 71 6.621 -0.918 -39.142 1.00 45.33 C ATOM 1096 CG PRO A 71 5.287 -1.526 -39.473 1.00 4.11 C ATOM 1097 CD PRO A 71 5.494 -3.025 -39.383 1.00 24.30 C ATOM 0 HA PRO A 71 8.326 -1.900 -38.128 1.00 74.50 H new ATOM 0 HB2 PRO A 71 6.509 0.092 -38.748 1.00 45.33 H new ATOM 0 HB3 PRO A 71 7.254 -0.847 -40.026 1.00 45.33 H new ATOM 0 HG2 PRO A 71 4.519 -1.193 -38.775 1.00 4.11 H new ATOM 0 HG3 PRO A 71 4.959 -1.234 -40.471 1.00 4.11 H new ATOM 0 HD2 PRO A 71 4.589 -3.534 -39.053 1.00 24.30 H new ATOM 0 HD3 PRO A 71 5.764 -3.450 -40.350 1.00 24.30 H new ATOM 1105 N PHE A 72 7.885 -0.791 -35.976 1.00 1.32 N ATOM 1106 CA PHE A 72 7.711 -0.255 -34.619 1.00 33.03 C ATOM 1107 C PHE A 72 7.181 1.187 -34.728 1.00 10.12 C ATOM 1108 O PHE A 72 7.963 2.132 -34.872 1.00 10.21 O ATOM 1109 CB PHE A 72 9.060 -0.329 -33.841 1.00 5.32 C ATOM 1110 CG PHE A 72 8.951 -0.059 -32.338 1.00 35.12 C ATOM 1111 CD1 PHE A 72 8.350 -0.995 -31.496 1.00 41.30 C ATOM 1112 CD2 PHE A 72 9.445 1.118 -31.771 1.00 15.42 C ATOM 1113 CE1 PHE A 72 8.250 -0.763 -30.138 1.00 61.31 C ATOM 1114 CE2 PHE A 72 9.340 1.345 -30.415 1.00 3.42 C ATOM 1115 CZ PHE A 72 8.743 0.407 -29.600 1.00 61.33 C ATOM 0 H PHE A 72 8.817 -0.639 -36.362 1.00 1.32 H new ATOM 0 HA PHE A 72 6.988 -0.848 -34.059 1.00 33.03 H new ATOM 0 HB2 PHE A 72 9.494 -1.318 -33.987 1.00 5.32 H new ATOM 0 HB3 PHE A 72 9.754 0.391 -34.276 1.00 5.32 H new ATOM 0 HD1 PHE A 72 7.958 -1.912 -31.911 1.00 41.30 H new ATOM 0 HD2 PHE A 72 9.914 1.858 -32.402 1.00 15.42 H new ATOM 0 HE1 PHE A 72 7.786 -1.498 -29.497 1.00 61.31 H new ATOM 0 HE2 PHE A 72 9.726 2.260 -29.990 1.00 3.42 H new ATOM 0 HZ PHE A 72 8.661 0.589 -28.539 1.00 61.33 H new ATOM 1125 N LYS A 73 5.836 1.318 -34.685 1.00 21.01 N ATOM 1126 CA LYS A 73 5.101 2.574 -34.952 1.00 72.31 C ATOM 1127 C LYS A 73 5.376 3.040 -36.415 1.00 55.01 C ATOM 1128 O LYS A 73 6.161 3.990 -36.635 1.00 5.31 O ATOM 1129 CB LYS A 73 5.397 3.704 -33.893 1.00 75.12 C ATOM 1130 CG LYS A 73 4.822 3.474 -32.477 1.00 1.11 C ATOM 1131 CD LYS A 73 5.570 2.394 -31.653 1.00 31.12 C ATOM 1132 CE LYS A 73 4.997 2.235 -30.233 1.00 44.24 C ATOM 1133 NZ LYS A 73 5.072 3.501 -29.446 1.00 14.13 N ATOM 1134 OXT LYS A 73 4.844 2.409 -37.351 1.00 37.38 O ATOM 0 H LYS A 73 5.219 0.538 -34.459 1.00 21.01 H new ATOM 0 HA LYS A 73 4.036 2.368 -34.846 1.00 72.31 H new ATOM 0 HB2 LYS A 73 6.477 3.822 -33.810 1.00 75.12 H new ATOM 0 HB3 LYS A 73 5.002 4.645 -34.275 1.00 75.12 H new ATOM 0 HG2 LYS A 73 4.849 4.416 -31.929 1.00 1.11 H new ATOM 0 HG3 LYS A 73 3.774 3.186 -32.565 1.00 1.11 H new ATOM 0 HD2 LYS A 73 5.511 1.438 -32.174 1.00 31.12 H new ATOM 0 HD3 LYS A 73 6.626 2.657 -31.588 1.00 31.12 H new ATOM 0 HE2 LYS A 73 3.958 1.911 -30.297 1.00 44.24 H new ATOM 0 HE3 LYS A 73 5.544 1.451 -29.709 1.00 44.24 H new ATOM 0 HZ1 LYS A 73 4.852 3.304 -28.449 1.00 14.13 H new ATOM 0 HZ2 LYS A 73 6.031 3.897 -29.517 1.00 14.13 H new ATOM 0 HZ3 LYS A 73 4.386 4.185 -29.823 1.00 14.13 H new TER 1148 LYS A 73 HETATM 1149 ZN ZN A 101 4.640 -11.296 -24.622 1.00 10.51 ZN