USER MOD reduce.3.24.130724 H: found=0, std=0, add=990, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 987 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 Set 1.1: A 83 ASN :FLIP amide:sc= -0.357 F(o=-2.8,f=-0.97) USER MOD Set 1.2: A 100 HIS :FLIP no HD1:sc= -0.611 F(o=-2.3,f=-0.97) USER MOD Set 2.1: A 41 SER OG : rot 140:sc= 0.00474 USER MOD Set 2.2: A 112 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 6 THR OG1 : rot 34:sc= 0.177 USER MOD Set 3.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0626) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= -0.375 (180deg=-1.1) USER MOD Single : A 29 ASN : amide:sc= -0.229 K(o=-0.23,f=-3.8!) USER MOD Single : A 35 CYS SG : rot -66:sc= 1.4 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0387) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.409) USER MOD Single : A 51 TYR OH : rot 97:sc= 1.23 USER MOD Single : A 58 THR OG1 : rot 113:sc= -0.546 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.039 F(o=-0.59,f=-0.039) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -151:sc= -0.276 (180deg=-1.26) USER MOD Single : A 85 THR OG1 : rot 78:sc= 1.3 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -136:sc= -0.285 (180deg=-1.03) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 172:sc= 0.977 USER MOD Single : A 111 TYR OH : rot 171:sc= 0.0782 USER MOD Single : A 115 ASN : amide:sc= -0.335 X(o=-0.34,f=-0.096) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.855 13.993 -18.109 1.00 23.31 N ATOM 2 CA GLY A 1 -23.758 14.260 -19.533 1.00 34.33 C ATOM 3 C GLY A 1 -22.380 13.961 -20.087 1.00 20.25 C ATOM 4 O GLY A 1 -21.815 14.762 -20.831 1.00 71.04 O ATOM 0 H1 GLY A 1 -24.816 14.213 -17.779 1.00 23.31 H new ATOM 0 H2 GLY A 1 -23.649 12.990 -17.929 1.00 23.31 H new ATOM 0 H3 GLY A 1 -23.169 14.584 -17.597 1.00 23.31 H new ATOM 0 HA2 GLY A 1 -24.497 13.660 -20.063 1.00 34.33 H new ATOM 0 HA3 GLY A 1 -24.003 15.305 -19.721 1.00 34.33 H new ATOM 8 N SER A 2 -21.835 12.804 -19.722 1.00 1.13 N ATOM 9 CA SER A 2 -20.512 12.404 -20.183 1.00 24.14 C ATOM 10 C SER A 2 -20.599 11.180 -21.089 1.00 63.21 C ATOM 11 O SER A 2 -21.536 10.388 -20.992 1.00 52.44 O ATOM 12 CB SER A 2 -19.601 12.105 -18.990 1.00 32.53 C ATOM 13 OG SER A 2 -20.316 11.453 -17.954 1.00 45.31 O ATOM 0 H SER A 2 -22.290 12.128 -19.108 1.00 1.13 H new ATOM 0 HA SER A 2 -20.090 13.230 -20.756 1.00 24.14 H new ATOM 0 HB2 SER A 2 -18.769 11.479 -19.312 1.00 32.53 H new ATOM 0 HB3 SER A 2 -19.174 13.034 -18.613 1.00 32.53 H new ATOM 0 HG SER A 2 -19.712 11.271 -17.204 1.00 45.31 H new ATOM 19 N MET A 3 -19.615 11.032 -21.971 1.00 35.13 N ATOM 20 CA MET A 3 -19.580 9.904 -22.894 1.00 61.00 C ATOM 21 C MET A 3 -18.742 8.763 -22.327 1.00 51.14 C ATOM 22 O MET A 3 -18.444 7.792 -23.023 1.00 75.20 O ATOM 23 CB MET A 3 -19.017 10.343 -24.247 1.00 24.43 C ATOM 24 CG MET A 3 -20.054 10.370 -25.358 1.00 11.33 C ATOM 25 SD MET A 3 -19.724 11.649 -26.585 1.00 62.31 S ATOM 26 CE MET A 3 -20.900 11.206 -27.861 1.00 74.12 C ATOM 0 H MET A 3 -18.832 11.679 -22.065 1.00 35.13 H new ATOM 0 HA MET A 3 -20.601 9.547 -23.032 1.00 61.00 H new ATOM 0 HB2 MET A 3 -18.581 11.337 -24.144 1.00 24.43 H new ATOM 0 HB3 MET A 3 -18.210 9.668 -24.531 1.00 24.43 H new ATOM 0 HG2 MET A 3 -20.079 9.398 -25.850 1.00 11.33 H new ATOM 0 HG3 MET A 3 -21.041 10.533 -24.925 1.00 11.33 H new ATOM 0 HE1 MET A 3 -20.817 11.907 -28.691 1.00 74.12 H new ATOM 0 HE2 MET A 3 -20.689 10.197 -28.216 1.00 74.12 H new ATOM 0 HE3 MET A 3 -21.910 11.244 -27.454 1.00 74.12 H new ATOM 36 N LYS A 4 -18.364 8.886 -21.059 1.00 23.13 N ATOM 37 CA LYS A 4 -17.560 7.864 -20.397 1.00 33.01 C ATOM 38 C LYS A 4 -18.389 7.104 -19.366 1.00 42.23 C ATOM 39 O LYS A 4 -19.355 7.635 -18.820 1.00 21.22 O ATOM 40 CB LYS A 4 -16.345 8.502 -19.720 1.00 12.22 C ATOM 41 CG LYS A 4 -15.523 9.380 -20.647 1.00 54.13 C ATOM 42 CD LYS A 4 -14.041 9.298 -20.325 1.00 32.15 C ATOM 43 CE LYS A 4 -13.387 8.104 -21.004 1.00 42.30 C ATOM 44 NZ LYS A 4 -11.902 8.214 -21.010 1.00 23.21 N ATOM 0 H LYS A 4 -18.601 9.683 -20.469 1.00 23.13 H new ATOM 0 HA LYS A 4 -17.218 7.158 -21.154 1.00 33.01 H new ATOM 0 HB2 LYS A 4 -16.683 9.099 -18.873 1.00 12.22 H new ATOM 0 HB3 LYS A 4 -15.707 7.714 -19.320 1.00 12.22 H new ATOM 0 HG2 LYS A 4 -15.689 9.075 -21.680 1.00 54.13 H new ATOM 0 HG3 LYS A 4 -15.858 10.414 -20.562 1.00 54.13 H new ATOM 0 HD2 LYS A 4 -13.547 10.215 -20.645 1.00 32.15 H new ATOM 0 HD3 LYS A 4 -13.906 9.223 -19.246 1.00 32.15 H new ATOM 0 HE2 LYS A 4 -13.681 7.188 -20.491 1.00 42.30 H new ATOM 0 HE3 LYS A 4 -13.749 8.026 -22.029 1.00 42.30 H new ATOM 0 HZ1 LYS A 4 -11.494 7.381 -21.481 1.00 23.21 H new ATOM 0 HZ2 LYS A 4 -11.620 9.074 -21.521 1.00 23.21 H new ATOM 0 HZ3 LYS A 4 -11.554 8.263 -20.031 1.00 23.21 H new ATOM 58 N SER A 5 -18.004 5.859 -19.107 1.00 3.12 N ATOM 59 CA SER A 5 -18.712 5.024 -18.143 1.00 12.52 C ATOM 60 C SER A 5 -17.748 4.448 -17.111 1.00 20.31 C ATOM 61 O SER A 5 -16.571 4.227 -17.397 1.00 73.04 O ATOM 62 CB SER A 5 -19.446 3.891 -18.862 1.00 33.45 C ATOM 63 OG SER A 5 -18.595 3.238 -19.787 1.00 31.34 O ATOM 0 H SER A 5 -17.205 5.406 -19.551 1.00 3.12 H new ATOM 0 HA SER A 5 -19.440 5.648 -17.624 1.00 12.52 H new ATOM 0 HB2 SER A 5 -19.815 3.171 -18.131 1.00 33.45 H new ATOM 0 HB3 SER A 5 -20.316 4.290 -19.383 1.00 33.45 H new ATOM 0 HG SER A 5 -19.087 2.517 -20.232 1.00 31.34 H new ATOM 69 N THR A 6 -18.256 4.206 -15.907 1.00 21.54 N ATOM 70 CA THR A 6 -17.442 3.656 -14.829 1.00 63.04 C ATOM 71 C THR A 6 -17.018 2.225 -15.137 1.00 24.20 C ATOM 72 O THR A 6 -17.856 1.354 -15.370 1.00 3.34 O ATOM 73 CB THR A 6 -18.197 3.679 -13.487 1.00 22.40 C ATOM 74 OG1 THR A 6 -19.490 3.083 -13.642 1.00 3.55 O ATOM 75 CG2 THR A 6 -18.347 5.102 -12.974 1.00 2.30 C ATOM 0 H THR A 6 -19.228 4.382 -15.653 1.00 21.54 H new ATOM 0 HA THR A 6 -16.556 4.285 -14.749 1.00 63.04 H new ATOM 0 HB THR A 6 -17.619 3.108 -12.761 1.00 22.40 H new ATOM 0 HG1 THR A 6 -19.440 2.359 -14.300 1.00 3.55 H new ATOM 0 HG21 THR A 6 -18.883 5.092 -12.025 1.00 2.30 H new ATOM 0 HG22 THR A 6 -17.361 5.542 -12.829 1.00 2.30 H new ATOM 0 HG23 THR A 6 -18.905 5.694 -13.700 1.00 2.30 H new ATOM 83 N PHE A 7 -15.710 1.987 -15.137 1.00 42.30 N ATOM 84 CA PHE A 7 -15.174 0.661 -15.417 1.00 21.31 C ATOM 85 C PHE A 7 -14.817 -0.066 -14.122 1.00 51.45 C ATOM 86 O PHE A 7 -14.814 -1.296 -14.068 1.00 12.13 O ATOM 87 CB PHE A 7 -13.938 0.765 -16.313 1.00 11.10 C ATOM 88 CG PHE A 7 -12.839 1.603 -15.724 1.00 64.41 C ATOM 89 CD1 PHE A 7 -11.914 1.044 -14.856 1.00 72.23 C ATOM 90 CD2 PHE A 7 -12.730 2.948 -16.038 1.00 73.53 C ATOM 91 CE1 PHE A 7 -10.902 1.812 -14.313 1.00 23.55 C ATOM 92 CE2 PHE A 7 -11.720 3.720 -15.498 1.00 21.54 C ATOM 93 CZ PHE A 7 -10.805 3.151 -14.633 1.00 65.02 C ATOM 0 H PHE A 7 -15.002 2.696 -14.946 1.00 42.30 H new ATOM 0 HA PHE A 7 -15.943 0.088 -15.936 1.00 21.31 H new ATOM 0 HB2 PHE A 7 -13.555 -0.237 -16.508 1.00 11.10 H new ATOM 0 HB3 PHE A 7 -14.231 1.187 -17.274 1.00 11.10 H new ATOM 0 HD1 PHE A 7 -11.985 -0.003 -14.601 1.00 72.23 H new ATOM 0 HD2 PHE A 7 -13.443 3.398 -16.713 1.00 73.53 H new ATOM 0 HE1 PHE A 7 -10.187 1.365 -13.638 1.00 23.55 H new ATOM 0 HE2 PHE A 7 -11.646 4.767 -15.752 1.00 21.54 H new ATOM 0 HZ PHE A 7 -10.015 3.753 -14.208 1.00 65.02 H new ATOM 103 N LYS A 8 -14.516 0.705 -13.083 1.00 22.31 N ATOM 104 CA LYS A 8 -14.158 0.137 -11.788 1.00 2.54 C ATOM 105 C LYS A 8 -15.238 -0.822 -11.297 1.00 52.21 C ATOM 106 O LYS A 8 -14.947 -1.802 -10.611 1.00 5.42 O ATOM 107 CB LYS A 8 -13.946 1.252 -10.761 1.00 44.23 C ATOM 108 CG LYS A 8 -12.636 2.000 -10.938 1.00 42.40 C ATOM 109 CD LYS A 8 -12.137 2.572 -9.621 1.00 41.13 C ATOM 110 CE LYS A 8 -10.975 3.530 -9.834 1.00 71.02 C ATOM 111 NZ LYS A 8 -10.838 4.494 -8.707 1.00 25.43 N ATOM 0 H LYS A 8 -14.513 1.725 -13.112 1.00 22.31 H new ATOM 0 HA LYS A 8 -13.229 -0.421 -11.908 1.00 2.54 H new ATOM 0 HB2 LYS A 8 -14.772 1.960 -10.830 1.00 44.23 H new ATOM 0 HB3 LYS A 8 -13.977 0.823 -9.759 1.00 44.23 H new ATOM 0 HG2 LYS A 8 -11.885 1.327 -11.351 1.00 42.40 H new ATOM 0 HG3 LYS A 8 -12.771 2.807 -11.658 1.00 42.40 H new ATOM 0 HD2 LYS A 8 -12.951 3.093 -9.117 1.00 41.13 H new ATOM 0 HD3 LYS A 8 -11.824 1.759 -8.965 1.00 41.13 H new ATOM 0 HE2 LYS A 8 -10.051 2.962 -9.941 1.00 71.02 H new ATOM 0 HE3 LYS A 8 -11.122 4.078 -10.765 1.00 71.02 H new ATOM 0 HZ1 LYS A 8 -10.035 5.130 -8.889 1.00 25.43 H new ATOM 0 HZ2 LYS A 8 -11.710 5.054 -8.621 1.00 25.43 H new ATOM 0 HZ3 LYS A 8 -10.673 3.973 -7.822 1.00 25.43 H new ATOM 125 N SER A 9 -16.486 -0.533 -11.653 1.00 60.03 N ATOM 126 CA SER A 9 -17.610 -1.369 -11.247 1.00 61.22 C ATOM 127 C SER A 9 -17.347 -2.834 -11.584 1.00 53.42 C ATOM 128 O SER A 9 -17.683 -3.729 -10.811 1.00 55.11 O ATOM 129 CB SER A 9 -18.895 -0.898 -11.930 1.00 35.15 C ATOM 130 OG SER A 9 -19.556 0.084 -11.151 1.00 3.45 O ATOM 0 H SER A 9 -16.744 0.274 -12.222 1.00 60.03 H new ATOM 0 HA SER A 9 -17.727 -1.279 -10.167 1.00 61.22 H new ATOM 0 HB2 SER A 9 -18.659 -0.489 -12.913 1.00 35.15 H new ATOM 0 HB3 SER A 9 -19.559 -1.748 -12.089 1.00 35.15 H new ATOM 0 HG SER A 9 -20.373 0.370 -11.610 1.00 3.45 H new ATOM 136 N GLU A 10 -16.745 -3.067 -12.745 1.00 64.45 N ATOM 137 CA GLU A 10 -16.438 -4.423 -13.187 1.00 32.11 C ATOM 138 C GLU A 10 -14.992 -4.787 -12.864 1.00 12.44 C ATOM 139 O GLU A 10 -14.714 -5.866 -12.339 1.00 41.31 O ATOM 140 CB GLU A 10 -16.687 -4.563 -14.690 1.00 4.12 C ATOM 141 CG GLU A 10 -18.151 -4.756 -15.050 1.00 4.14 C ATOM 142 CD GLU A 10 -18.382 -4.798 -16.548 1.00 31.21 C ATOM 143 OE1 GLU A 10 -18.543 -3.719 -17.155 1.00 54.02 O ATOM 144 OE2 GLU A 10 -18.402 -5.912 -17.113 1.00 5.21 O ATOM 0 H GLU A 10 -16.460 -2.336 -13.397 1.00 64.45 H new ATOM 0 HA GLU A 10 -17.095 -5.109 -12.652 1.00 32.11 H new ATOM 0 HB2 GLU A 10 -16.311 -3.674 -15.196 1.00 4.12 H new ATOM 0 HB3 GLU A 10 -16.114 -5.410 -15.067 1.00 4.12 H new ATOM 0 HG2 GLU A 10 -18.512 -5.683 -14.604 1.00 4.14 H new ATOM 0 HG3 GLU A 10 -18.738 -3.945 -14.618 1.00 4.14 H new ATOM 151 N TYR A 11 -14.075 -3.879 -13.180 1.00 35.42 N ATOM 152 CA TYR A 11 -12.657 -4.105 -12.926 1.00 40.21 C ATOM 153 C TYR A 11 -12.164 -5.348 -13.658 1.00 71.43 C ATOM 154 O TYR A 11 -11.887 -6.387 -13.056 1.00 11.13 O ATOM 155 CB TYR A 11 -12.403 -4.248 -11.425 1.00 63.20 C ATOM 156 CG TYR A 11 -10.962 -4.013 -11.030 1.00 31.12 C ATOM 157 CD1 TYR A 11 -10.295 -2.858 -11.417 1.00 64.11 C ATOM 158 CD2 TYR A 11 -10.268 -4.947 -10.271 1.00 2.23 C ATOM 159 CE1 TYR A 11 -8.978 -2.639 -11.059 1.00 60.04 C ATOM 160 CE2 TYR A 11 -8.952 -4.736 -9.906 1.00 40.02 C ATOM 161 CZ TYR A 11 -8.312 -3.581 -10.304 1.00 0.32 C ATOM 162 OH TYR A 11 -7.000 -3.368 -9.944 1.00 50.21 O ATOM 0 H TYR A 11 -14.288 -2.980 -13.612 1.00 35.42 H new ATOM 0 HA TYR A 11 -12.105 -3.243 -13.300 1.00 40.21 H new ATOM 0 HB2 TYR A 11 -13.038 -3.543 -10.889 1.00 63.20 H new ATOM 0 HB3 TYR A 11 -12.699 -5.248 -11.108 1.00 63.20 H new ATOM 0 HD1 TYR A 11 -10.814 -2.118 -12.008 1.00 64.11 H new ATOM 0 HD2 TYR A 11 -10.766 -5.854 -9.961 1.00 2.23 H new ATOM 0 HE1 TYR A 11 -8.474 -1.736 -11.369 1.00 60.04 H new ATOM 0 HE2 TYR A 11 -8.428 -5.471 -9.313 1.00 40.02 H new ATOM 0 HH TYR A 11 -6.679 -4.127 -9.413 1.00 50.21 H new ATOM 172 N PRO A 12 -12.049 -5.243 -14.991 1.00 34.43 N ATOM 173 CA PRO A 12 -11.588 -6.350 -15.835 1.00 2.42 C ATOM 174 C PRO A 12 -10.107 -6.654 -15.633 1.00 51.35 C ATOM 175 O PRO A 12 -9.246 -6.050 -16.274 1.00 22.43 O ATOM 176 CB PRO A 12 -11.840 -5.840 -17.256 1.00 2.30 C ATOM 177 CG PRO A 12 -11.809 -4.355 -17.137 1.00 63.53 C ATOM 178 CD PRO A 12 -12.361 -4.038 -15.775 1.00 1.54 C ATOM 0 HA PRO A 12 -12.104 -7.282 -15.604 1.00 2.42 H new ATOM 0 HB2 PRO A 12 -11.076 -6.198 -17.946 1.00 2.30 H new ATOM 0 HB3 PRO A 12 -12.801 -6.187 -17.636 1.00 2.30 H new ATOM 0 HG2 PRO A 12 -10.793 -3.976 -17.244 1.00 63.53 H new ATOM 0 HG3 PRO A 12 -12.408 -3.888 -17.919 1.00 63.53 H new ATOM 0 HD2 PRO A 12 -11.894 -3.150 -15.349 1.00 1.54 H new ATOM 0 HD3 PRO A 12 -13.434 -3.848 -15.810 1.00 1.54 H new ATOM 186 N PHE A 13 -9.818 -7.594 -14.740 1.00 63.22 N ATOM 187 CA PHE A 13 -8.440 -7.979 -14.454 1.00 55.35 C ATOM 188 C PHE A 13 -7.929 -8.980 -15.486 1.00 35.40 C ATOM 189 O PHE A 13 -6.809 -8.861 -15.979 1.00 62.51 O ATOM 190 CB PHE A 13 -8.336 -8.578 -13.050 1.00 73.01 C ATOM 191 CG PHE A 13 -6.971 -9.114 -12.727 1.00 32.32 C ATOM 192 CD1 PHE A 13 -5.964 -8.268 -12.293 1.00 71.24 C ATOM 193 CD2 PHE A 13 -6.696 -10.466 -12.856 1.00 52.03 C ATOM 194 CE1 PHE A 13 -4.707 -8.759 -11.994 1.00 71.01 C ATOM 195 CE2 PHE A 13 -5.441 -10.963 -12.558 1.00 23.20 C ATOM 196 CZ PHE A 13 -4.445 -10.108 -12.128 1.00 0.42 C ATOM 0 H PHE A 13 -10.519 -8.103 -14.202 1.00 63.22 H new ATOM 0 HA PHE A 13 -7.821 -7.083 -14.506 1.00 55.35 H new ATOM 0 HB2 PHE A 13 -8.601 -7.815 -12.318 1.00 73.01 H new ATOM 0 HB3 PHE A 13 -9.066 -9.382 -12.951 1.00 73.01 H new ATOM 0 HD1 PHE A 13 -6.163 -7.212 -12.187 1.00 71.24 H new ATOM 0 HD2 PHE A 13 -7.471 -11.139 -13.193 1.00 52.03 H new ATOM 0 HE1 PHE A 13 -3.931 -8.088 -11.656 1.00 71.01 H new ATOM 0 HE2 PHE A 13 -5.239 -12.019 -12.661 1.00 23.20 H new ATOM 0 HZ PHE A 13 -3.463 -10.494 -11.897 1.00 0.42 H new ATOM 206 N GLU A 14 -8.761 -9.968 -15.806 1.00 22.24 N ATOM 207 CA GLU A 14 -8.393 -10.991 -16.777 1.00 64.21 C ATOM 208 C GLU A 14 -7.954 -10.358 -18.094 1.00 62.34 C ATOM 209 O GLU A 14 -6.945 -10.752 -18.680 1.00 70.32 O ATOM 210 CB GLU A 14 -9.568 -11.940 -17.020 1.00 42.24 C ATOM 211 CG GLU A 14 -9.805 -12.921 -15.884 1.00 64.20 C ATOM 212 CD GLU A 14 -8.815 -14.070 -15.890 1.00 14.30 C ATOM 213 OE1 GLU A 14 -8.962 -14.976 -16.737 1.00 3.12 O ATOM 214 OE2 GLU A 14 -7.894 -14.063 -15.047 1.00 3.12 O ATOM 0 H GLU A 14 -9.693 -10.081 -15.407 1.00 22.24 H new ATOM 0 HA GLU A 14 -7.556 -11.558 -16.370 1.00 64.21 H new ATOM 0 HB2 GLU A 14 -10.473 -11.352 -17.175 1.00 42.24 H new ATOM 0 HB3 GLU A 14 -9.389 -12.498 -17.939 1.00 42.24 H new ATOM 0 HG2 GLU A 14 -9.737 -12.393 -14.933 1.00 64.20 H new ATOM 0 HG3 GLU A 14 -10.817 -13.318 -15.957 1.00 64.20 H new ATOM 221 N LYS A 15 -8.720 -9.375 -18.555 1.00 63.23 N ATOM 222 CA LYS A 15 -8.411 -8.686 -19.802 1.00 42.54 C ATOM 223 C LYS A 15 -8.958 -7.261 -19.786 1.00 74.35 C ATOM 224 O LYS A 15 -10.159 -7.046 -19.955 1.00 22.45 O ATOM 225 CB LYS A 15 -8.994 -9.454 -20.991 1.00 4.24 C ATOM 226 CG LYS A 15 -8.340 -10.805 -21.221 1.00 63.24 C ATOM 227 CD LYS A 15 -8.925 -11.508 -22.435 1.00 30.35 C ATOM 228 CE LYS A 15 -8.783 -13.018 -22.325 1.00 63.34 C ATOM 229 NZ LYS A 15 -9.750 -13.598 -21.353 1.00 32.30 N ATOM 0 H LYS A 15 -9.559 -9.038 -18.084 1.00 63.23 H new ATOM 0 HA LYS A 15 -7.327 -8.640 -19.904 1.00 42.54 H new ATOM 0 HB2 LYS A 15 -10.062 -9.599 -20.831 1.00 4.24 H new ATOM 0 HB3 LYS A 15 -8.886 -8.849 -21.892 1.00 4.24 H new ATOM 0 HG2 LYS A 15 -7.267 -10.672 -21.358 1.00 63.24 H new ATOM 0 HG3 LYS A 15 -8.473 -11.430 -20.338 1.00 63.24 H new ATOM 0 HD2 LYS A 15 -9.978 -11.247 -22.536 1.00 30.35 H new ATOM 0 HD3 LYS A 15 -8.422 -11.159 -23.337 1.00 30.35 H new ATOM 0 HE2 LYS A 15 -8.939 -13.469 -23.305 1.00 63.34 H new ATOM 0 HE3 LYS A 15 -7.767 -13.266 -22.018 1.00 63.34 H new ATOM 0 HZ1 LYS A 15 -9.777 -14.632 -21.465 1.00 32.30 H new ATOM 0 HZ2 LYS A 15 -9.453 -13.362 -20.385 1.00 32.30 H new ATOM 0 HZ3 LYS A 15 -10.697 -13.206 -21.529 1.00 32.30 H new ATOM 243 N ARG A 16 -8.070 -6.293 -19.584 1.00 72.03 N ATOM 244 CA ARG A 16 -8.465 -4.890 -19.547 1.00 20.20 C ATOM 245 C ARG A 16 -8.666 -4.344 -20.958 1.00 64.20 C ATOM 246 O ARG A 16 -9.786 -4.030 -21.361 1.00 21.51 O ATOM 247 CB ARG A 16 -7.409 -4.061 -18.812 1.00 73.11 C ATOM 248 CG ARG A 16 -7.911 -2.699 -18.362 1.00 22.20 C ATOM 249 CD ARG A 16 -6.961 -2.059 -17.362 1.00 13.11 C ATOM 250 NE ARG A 16 -7.481 -0.797 -16.843 1.00 34.11 N ATOM 251 CZ ARG A 16 -6.934 -0.138 -15.828 1.00 41.01 C ATOM 252 NH1 ARG A 16 -5.855 -0.619 -15.226 1.00 32.24 N ATOM 253 NH2 ARG A 16 -7.466 1.005 -15.413 1.00 52.22 N ATOM 0 H ARG A 16 -7.073 -6.454 -19.444 1.00 72.03 H new ATOM 0 HA ARG A 16 -9.411 -4.818 -19.011 1.00 20.20 H new ATOM 0 HB2 ARG A 16 -7.063 -4.618 -17.941 1.00 73.11 H new ATOM 0 HB3 ARG A 16 -6.547 -3.924 -19.465 1.00 73.11 H new ATOM 0 HG2 ARG A 16 -8.023 -2.047 -19.228 1.00 22.20 H new ATOM 0 HG3 ARG A 16 -8.898 -2.804 -17.912 1.00 22.20 H new ATOM 0 HD2 ARG A 16 -6.788 -2.747 -16.535 1.00 13.11 H new ATOM 0 HD3 ARG A 16 -5.996 -1.885 -17.839 1.00 13.11 H new ATOM 0 HE ARG A 16 -8.310 -0.400 -17.284 1.00 34.11 H new ATOM 0 HH11 ARG A 16 -5.443 -1.497 -15.542 1.00 32.24 H new ATOM 0 HH12 ARG A 16 -5.437 -0.111 -14.447 1.00 32.24 H new ATOM 0 HH21 ARG A 16 -8.296 1.378 -15.874 1.00 52.22 H new ATOM 0 HH22 ARG A 16 -7.045 1.510 -14.633 1.00 52.22 H new ATOM 267 N LYS A 17 -7.572 -4.233 -21.703 1.00 43.55 N ATOM 268 CA LYS A 17 -7.626 -3.726 -23.070 1.00 4.22 C ATOM 269 C LYS A 17 -7.874 -4.857 -24.061 1.00 22.41 C ATOM 270 O LYS A 17 -8.411 -4.638 -25.146 1.00 14.10 O ATOM 271 CB LYS A 17 -6.321 -3.004 -23.420 1.00 34.23 C ATOM 272 CG LYS A 17 -6.320 -1.533 -23.042 1.00 53.45 C ATOM 273 CD LYS A 17 -5.834 -1.323 -21.618 1.00 22.13 C ATOM 274 CE LYS A 17 -4.324 -1.470 -21.517 1.00 60.41 C ATOM 275 NZ LYS A 17 -3.894 -1.856 -20.145 1.00 11.42 N ATOM 0 H LYS A 17 -6.637 -4.487 -21.384 1.00 43.55 H new ATOM 0 HA LYS A 17 -8.454 -3.021 -23.136 1.00 4.22 H new ATOM 0 HB2 LYS A 17 -5.493 -3.501 -22.914 1.00 34.23 H new ATOM 0 HB3 LYS A 17 -6.141 -3.095 -24.491 1.00 34.23 H new ATOM 0 HG2 LYS A 17 -5.681 -0.980 -23.731 1.00 53.45 H new ATOM 0 HG3 LYS A 17 -7.327 -1.129 -23.147 1.00 53.45 H new ATOM 0 HD2 LYS A 17 -6.128 -0.331 -21.275 1.00 22.13 H new ATOM 0 HD3 LYS A 17 -6.316 -2.044 -20.958 1.00 22.13 H new ATOM 0 HE2 LYS A 17 -3.984 -2.222 -22.229 1.00 60.41 H new ATOM 0 HE3 LYS A 17 -3.848 -0.530 -21.795 1.00 60.41 H new ATOM 0 HZ1 LYS A 17 -2.858 -1.946 -20.118 1.00 11.42 H new ATOM 0 HZ2 LYS A 17 -4.196 -1.126 -19.468 1.00 11.42 H new ATOM 0 HZ3 LYS A 17 -4.327 -2.766 -19.889 1.00 11.42 H new ATOM 289 N ALA A 18 -7.481 -6.069 -23.681 1.00 1.42 N ATOM 290 CA ALA A 18 -7.665 -7.235 -24.535 1.00 32.41 C ATOM 291 C ALA A 18 -9.135 -7.430 -24.888 1.00 70.33 C ATOM 292 O ALA A 18 -9.465 -7.854 -25.995 1.00 0.30 O ATOM 293 CB ALA A 18 -7.114 -8.479 -23.855 1.00 21.34 C ATOM 0 H ALA A 18 -7.033 -6.268 -22.787 1.00 1.42 H new ATOM 0 HA ALA A 18 -7.115 -7.067 -25.461 1.00 32.41 H new ATOM 0 HB1 ALA A 18 -7.258 -9.343 -24.504 1.00 21.34 H new ATOM 0 HB2 ALA A 18 -6.050 -8.346 -23.659 1.00 21.34 H new ATOM 0 HB3 ALA A 18 -7.638 -8.641 -22.913 1.00 21.34 H new ATOM 299 N GLU A 19 -10.014 -7.119 -23.940 1.00 23.10 N ATOM 300 CA GLU A 19 -11.449 -7.262 -24.152 1.00 64.35 C ATOM 301 C GLU A 19 -11.897 -6.484 -25.386 1.00 33.12 C ATOM 302 O GLU A 19 -12.584 -7.020 -26.255 1.00 15.10 O ATOM 303 CB GLU A 19 -12.220 -6.779 -22.922 1.00 42.24 C ATOM 304 CG GLU A 19 -13.624 -7.349 -22.821 1.00 51.45 C ATOM 305 CD GLU A 19 -14.466 -6.646 -21.773 1.00 62.33 C ATOM 306 OE1 GLU A 19 -14.279 -5.426 -21.585 1.00 14.52 O ATOM 307 OE2 GLU A 19 -15.309 -7.317 -21.141 1.00 4.23 O ATOM 0 H GLU A 19 -9.757 -6.766 -23.018 1.00 23.10 H new ATOM 0 HA GLU A 19 -11.663 -8.319 -24.313 1.00 64.35 H new ATOM 0 HB2 GLU A 19 -11.662 -7.049 -22.025 1.00 42.24 H new ATOM 0 HB3 GLU A 19 -12.280 -5.691 -22.945 1.00 42.24 H new ATOM 0 HG2 GLU A 19 -14.115 -7.268 -23.791 1.00 51.45 H new ATOM 0 HG3 GLU A 19 -13.565 -8.411 -22.581 1.00 51.45 H new ATOM 314 N SER A 20 -11.502 -5.217 -25.454 1.00 30.10 N ATOM 315 CA SER A 20 -11.866 -4.362 -26.578 1.00 43.45 C ATOM 316 C SER A 20 -11.330 -4.931 -27.888 1.00 52.35 C ATOM 317 O SER A 20 -11.945 -4.774 -28.942 1.00 52.05 O ATOM 318 CB SER A 20 -11.327 -2.946 -26.366 1.00 31.14 C ATOM 319 OG SER A 20 -11.711 -2.440 -25.098 1.00 61.23 O ATOM 0 H SER A 20 -10.930 -4.760 -24.744 1.00 30.10 H new ATOM 0 HA SER A 20 -12.954 -4.324 -26.636 1.00 43.45 H new ATOM 0 HB2 SER A 20 -10.240 -2.951 -26.445 1.00 31.14 H new ATOM 0 HB3 SER A 20 -11.701 -2.289 -27.152 1.00 31.14 H new ATOM 0 HG SER A 20 -11.353 -1.535 -24.985 1.00 61.23 H new ATOM 325 N GLU A 21 -10.180 -5.592 -27.813 1.00 12.11 N ATOM 326 CA GLU A 21 -9.561 -6.184 -28.993 1.00 45.32 C ATOM 327 C GLU A 21 -10.443 -7.281 -29.579 1.00 72.42 C ATOM 328 O GLU A 21 -10.886 -7.192 -30.724 1.00 54.42 O ATOM 329 CB GLU A 21 -8.184 -6.754 -28.643 1.00 52.21 C ATOM 330 CG GLU A 21 -7.028 -5.920 -29.169 1.00 43.41 C ATOM 331 CD GLU A 21 -7.003 -5.847 -30.683 1.00 40.54 C ATOM 332 OE1 GLU A 21 -6.897 -6.912 -31.327 1.00 2.22 O ATOM 333 OE2 GLU A 21 -7.091 -4.724 -31.225 1.00 72.55 O ATOM 0 H GLU A 21 -9.658 -5.731 -26.948 1.00 12.11 H new ATOM 0 HA GLU A 21 -9.443 -5.400 -29.741 1.00 45.32 H new ATOM 0 HB2 GLU A 21 -8.099 -6.835 -27.559 1.00 52.21 H new ATOM 0 HB3 GLU A 21 -8.105 -7.764 -29.046 1.00 52.21 H new ATOM 0 HG2 GLU A 21 -7.098 -4.911 -28.761 1.00 43.41 H new ATOM 0 HG3 GLU A 21 -6.088 -6.343 -28.814 1.00 43.41 H new ATOM 340 N ARG A 22 -10.694 -8.318 -28.785 1.00 15.00 N ATOM 341 CA ARG A 22 -11.523 -9.434 -29.224 1.00 61.00 C ATOM 342 C ARG A 22 -12.896 -8.947 -29.677 1.00 3.02 C ATOM 343 O ARG A 22 -13.401 -9.366 -30.718 1.00 74.35 O ATOM 344 CB ARG A 22 -11.678 -10.456 -28.097 1.00 31.03 C ATOM 345 CG ARG A 22 -10.435 -11.297 -27.861 1.00 31.44 C ATOM 346 CD ARG A 22 -10.233 -12.316 -28.971 1.00 44.13 C ATOM 347 NE ARG A 22 -9.093 -13.191 -28.710 1.00 62.10 N ATOM 348 CZ ARG A 22 -8.890 -14.342 -29.343 1.00 44.42 C ATOM 349 NH1 ARG A 22 -9.744 -14.752 -30.269 1.00 54.04 N ATOM 350 NH2 ARG A 22 -7.829 -15.083 -29.050 1.00 33.34 N ATOM 0 H ARG A 22 -10.335 -8.408 -27.835 1.00 15.00 H new ATOM 0 HA ARG A 22 -11.029 -9.910 -30.071 1.00 61.00 H new ATOM 0 HB2 ARG A 22 -11.932 -9.932 -27.176 1.00 31.03 H new ATOM 0 HB3 ARG A 22 -12.514 -11.116 -28.329 1.00 31.03 H new ATOM 0 HG2 ARG A 22 -9.562 -10.648 -27.798 1.00 31.44 H new ATOM 0 HG3 ARG A 22 -10.519 -11.812 -26.904 1.00 31.44 H new ATOM 0 HD2 ARG A 22 -11.135 -12.918 -29.079 1.00 44.13 H new ATOM 0 HD3 ARG A 22 -10.082 -11.796 -29.917 1.00 44.13 H new ATOM 0 HE ARG A 22 -8.416 -12.903 -28.004 1.00 62.10 H new ATOM 0 HH11 ARG A 22 -10.560 -14.184 -30.498 1.00 54.04 H new ATOM 0 HH12 ARG A 22 -9.586 -15.636 -30.753 1.00 54.04 H new ATOM 0 HH21 ARG A 22 -7.169 -14.769 -28.339 1.00 33.34 H new ATOM 0 HH22 ARG A 22 -7.674 -15.966 -29.536 1.00 33.34 H new ATOM 364 N ILE A 23 -13.494 -8.061 -28.888 1.00 61.21 N ATOM 365 CA ILE A 23 -14.807 -7.517 -29.208 1.00 31.00 C ATOM 366 C ILE A 23 -14.759 -6.676 -30.479 1.00 72.05 C ATOM 367 O ILE A 23 -15.736 -6.601 -31.223 1.00 2.44 O ATOM 368 CB ILE A 23 -15.356 -6.655 -28.056 1.00 1.03 C ATOM 369 CG1 ILE A 23 -15.564 -7.510 -26.804 1.00 11.53 C ATOM 370 CG2 ILE A 23 -16.658 -5.984 -28.469 1.00 63.41 C ATOM 371 CD1 ILE A 23 -16.622 -8.577 -26.971 1.00 30.43 C ATOM 0 H ILE A 23 -13.089 -7.705 -28.022 1.00 61.21 H new ATOM 0 HA ILE A 23 -15.471 -8.367 -29.363 1.00 31.00 H new ATOM 0 HB ILE A 23 -14.628 -5.878 -27.825 1.00 1.03 H new ATOM 0 HG12 ILE A 23 -14.620 -7.985 -26.537 1.00 11.53 H new ATOM 0 HG13 ILE A 23 -15.841 -6.862 -25.973 1.00 11.53 H new ATOM 0 HG21 ILE A 23 -17.033 -5.379 -27.644 1.00 63.41 H new ATOM 0 HG22 ILE A 23 -16.480 -5.347 -29.335 1.00 63.41 H new ATOM 0 HG23 ILE A 23 -17.395 -6.746 -28.724 1.00 63.41 H new ATOM 0 HD11 ILE A 23 -16.716 -9.144 -26.045 1.00 30.43 H new ATOM 0 HD12 ILE A 23 -17.577 -8.108 -27.208 1.00 30.43 H new ATOM 0 HD13 ILE A 23 -16.337 -9.249 -27.781 1.00 30.43 H new ATOM 383 N ALA A 24 -13.614 -6.045 -30.722 1.00 60.43 N ATOM 384 CA ALA A 24 -13.437 -5.214 -31.906 1.00 2.34 C ATOM 385 C ALA A 24 -13.468 -6.054 -33.178 1.00 12.42 C ATOM 386 O ALA A 24 -13.889 -5.582 -34.234 1.00 24.02 O ATOM 387 CB ALA A 24 -12.131 -4.438 -31.814 1.00 41.13 C ATOM 0 H ALA A 24 -12.796 -6.094 -30.115 1.00 60.43 H new ATOM 0 HA ALA A 24 -14.265 -4.507 -31.951 1.00 2.34 H new ATOM 0 HB1 ALA A 24 -12.011 -3.821 -32.705 1.00 41.13 H new ATOM 0 HB2 ALA A 24 -12.148 -3.800 -30.930 1.00 41.13 H new ATOM 0 HB3 ALA A 24 -11.297 -5.136 -31.741 1.00 41.13 H new ATOM 393 N ASP A 25 -13.019 -7.299 -33.069 1.00 54.31 N ATOM 394 CA ASP A 25 -12.996 -8.205 -34.212 1.00 73.41 C ATOM 395 C ASP A 25 -14.289 -9.011 -34.292 1.00 43.03 C ATOM 396 O ASP A 25 -14.872 -9.160 -35.365 1.00 53.15 O ATOM 397 CB ASP A 25 -11.797 -9.149 -34.117 1.00 30.44 C ATOM 398 CG ASP A 25 -10.510 -8.501 -34.587 1.00 3.44 C ATOM 399 OD1 ASP A 25 -10.300 -7.308 -34.280 1.00 10.01 O ATOM 400 OD2 ASP A 25 -9.712 -9.186 -35.260 1.00 11.15 O ATOM 0 H ASP A 25 -12.666 -7.704 -32.202 1.00 54.31 H new ATOM 0 HA ASP A 25 -12.906 -7.606 -35.118 1.00 73.41 H new ATOM 0 HB2 ASP A 25 -11.679 -9.478 -33.085 1.00 30.44 H new ATOM 0 HB3 ASP A 25 -11.991 -10.039 -34.715 1.00 30.44 H new ATOM 405 N ARG A 26 -14.728 -9.529 -33.151 1.00 34.31 N ATOM 406 CA ARG A 26 -15.951 -10.323 -33.092 1.00 44.32 C ATOM 407 C ARG A 26 -17.156 -9.497 -33.533 1.00 73.05 C ATOM 408 O ARG A 26 -18.014 -9.977 -34.274 1.00 61.50 O ATOM 409 CB ARG A 26 -16.173 -10.852 -31.675 1.00 71.42 C ATOM 410 CG ARG A 26 -16.919 -12.176 -31.630 1.00 13.13 C ATOM 411 CD ARG A 26 -17.076 -12.679 -30.203 1.00 10.12 C ATOM 412 NE ARG A 26 -17.486 -14.080 -30.158 1.00 55.24 N ATOM 413 CZ ARG A 26 -18.710 -14.497 -30.465 1.00 71.14 C ATOM 414 NH1 ARG A 26 -19.637 -13.626 -30.838 1.00 31.24 N ATOM 415 NH2 ARG A 26 -19.007 -15.789 -30.400 1.00 44.25 N ATOM 0 H ARG A 26 -14.256 -9.414 -32.254 1.00 34.31 H new ATOM 0 HA ARG A 26 -15.841 -11.166 -33.774 1.00 44.32 H new ATOM 0 HB2 ARG A 26 -15.207 -10.972 -31.185 1.00 71.42 H new ATOM 0 HB3 ARG A 26 -16.730 -10.111 -31.102 1.00 71.42 H new ATOM 0 HG2 ARG A 26 -17.902 -12.056 -32.085 1.00 13.13 H new ATOM 0 HG3 ARG A 26 -16.382 -12.918 -32.221 1.00 13.13 H new ATOM 0 HD2 ARG A 26 -16.132 -12.560 -29.671 1.00 10.12 H new ATOM 0 HD3 ARG A 26 -17.814 -12.069 -29.683 1.00 10.12 H new ATOM 0 HE ARG A 26 -16.796 -14.776 -29.876 1.00 55.24 H new ATOM 0 HH11 ARG A 26 -19.412 -12.633 -30.890 1.00 31.24 H new ATOM 0 HH12 ARG A 26 -20.575 -13.949 -31.073 1.00 31.24 H new ATOM 0 HH21 ARG A 26 -18.296 -16.462 -30.114 1.00 44.25 H new ATOM 0 HH22 ARG A 26 -19.946 -16.109 -30.636 1.00 44.25 H new ATOM 429 N PHE A 27 -17.214 -8.252 -33.072 1.00 55.25 N ATOM 430 CA PHE A 27 -18.315 -7.359 -33.418 1.00 21.54 C ATOM 431 C PHE A 27 -17.808 -6.141 -34.184 1.00 24.40 C ATOM 432 O PHE A 27 -17.164 -5.259 -33.615 1.00 74.15 O ATOM 433 CB PHE A 27 -19.051 -6.910 -32.153 1.00 71.23 C ATOM 434 CG PHE A 27 -19.898 -7.987 -31.538 1.00 24.32 C ATOM 435 CD1 PHE A 27 -19.332 -8.943 -30.710 1.00 21.31 C ATOM 436 CD2 PHE A 27 -21.259 -8.043 -31.787 1.00 71.42 C ATOM 437 CE1 PHE A 27 -20.108 -9.935 -30.142 1.00 34.14 C ATOM 438 CE2 PHE A 27 -22.041 -9.033 -31.222 1.00 10.33 C ATOM 439 CZ PHE A 27 -21.465 -9.981 -30.399 1.00 5.05 C ATOM 0 H PHE A 27 -16.512 -7.838 -32.458 1.00 55.25 H new ATOM 0 HA PHE A 27 -19.007 -7.906 -34.058 1.00 21.54 H new ATOM 0 HB2 PHE A 27 -18.321 -6.570 -31.419 1.00 71.23 H new ATOM 0 HB3 PHE A 27 -19.683 -6.055 -32.394 1.00 71.23 H new ATOM 0 HD1 PHE A 27 -18.272 -8.912 -30.506 1.00 21.31 H new ATOM 0 HD2 PHE A 27 -21.715 -7.305 -32.430 1.00 71.42 H new ATOM 0 HE1 PHE A 27 -19.655 -10.674 -29.498 1.00 34.14 H new ATOM 0 HE2 PHE A 27 -23.101 -9.065 -31.424 1.00 10.33 H new ATOM 0 HZ PHE A 27 -22.074 -10.756 -29.957 1.00 5.05 H new ATOM 449 N LYS A 28 -18.102 -6.101 -35.480 1.00 24.54 N ATOM 450 CA LYS A 28 -17.676 -4.993 -36.327 1.00 33.12 C ATOM 451 C LYS A 28 -18.775 -3.940 -36.436 1.00 11.24 C ATOM 452 O LYS A 28 -18.508 -2.741 -36.362 1.00 60.30 O ATOM 453 CB LYS A 28 -17.304 -5.503 -37.720 1.00 41.41 C ATOM 454 CG LYS A 28 -15.869 -5.988 -37.827 1.00 31.40 C ATOM 455 CD LYS A 28 -15.763 -7.481 -37.555 1.00 40.41 C ATOM 456 CE LYS A 28 -15.960 -8.293 -38.826 1.00 42.15 C ATOM 457 NZ LYS A 28 -17.401 -8.479 -39.148 1.00 51.12 N ATOM 0 H LYS A 28 -18.633 -6.823 -35.966 1.00 24.54 H new ATOM 0 HA LYS A 28 -16.800 -4.534 -35.870 1.00 33.12 H new ATOM 0 HB2 LYS A 28 -17.975 -6.318 -37.991 1.00 41.41 H new ATOM 0 HB3 LYS A 28 -17.464 -4.705 -38.445 1.00 41.41 H new ATOM 0 HG2 LYS A 28 -15.484 -5.770 -38.823 1.00 31.40 H new ATOM 0 HG3 LYS A 28 -15.246 -5.443 -37.118 1.00 31.40 H new ATOM 0 HD2 LYS A 28 -14.787 -7.706 -37.126 1.00 40.41 H new ATOM 0 HD3 LYS A 28 -16.510 -7.772 -36.817 1.00 40.41 H new ATOM 0 HE2 LYS A 28 -15.464 -7.792 -39.657 1.00 42.15 H new ATOM 0 HE3 LYS A 28 -15.485 -9.267 -38.712 1.00 42.15 H new ATOM 0 HZ1 LYS A 28 -17.520 -9.338 -39.722 1.00 51.12 H new ATOM 0 HZ2 LYS A 28 -17.944 -8.574 -38.266 1.00 51.12 H new ATOM 0 HZ3 LYS A 28 -17.747 -7.655 -39.681 1.00 51.12 H new ATOM 471 N ASN A 29 -20.011 -4.397 -36.610 1.00 44.14 N ATOM 472 CA ASN A 29 -21.150 -3.493 -36.729 1.00 40.21 C ATOM 473 C ASN A 29 -21.886 -3.368 -35.399 1.00 21.43 C ATOM 474 O ASN A 29 -22.591 -4.287 -34.979 1.00 53.22 O ATOM 475 CB ASN A 29 -22.111 -3.989 -37.812 1.00 22.44 C ATOM 476 CG ASN A 29 -21.481 -3.981 -39.191 1.00 24.53 C ATOM 477 OD1 ASN A 29 -20.257 -3.978 -39.327 1.00 15.23 O ATOM 478 ND2 ASN A 29 -22.316 -3.978 -40.223 1.00 35.41 N ATOM 0 H ASN A 29 -20.249 -5.387 -36.672 1.00 44.14 H new ATOM 0 HA ASN A 29 -20.774 -2.509 -37.010 1.00 40.21 H new ATOM 0 HB2 ASN A 29 -22.436 -5.001 -37.570 1.00 22.44 H new ATOM 0 HB3 ASN A 29 -23.002 -3.361 -37.819 1.00 22.44 H new ATOM 0 HD21 ASN A 29 -21.950 -3.973 -41.175 1.00 35.41 H new ATOM 0 HD22 ASN A 29 -23.324 -3.981 -40.064 1.00 35.41 H new ATOM 485 N ARG A 30 -21.717 -2.228 -34.739 1.00 5.13 N ATOM 486 CA ARG A 30 -22.363 -1.983 -33.456 1.00 14.14 C ATOM 487 C ARG A 30 -22.931 -0.567 -33.394 1.00 34.41 C ATOM 488 O ARG A 30 -22.407 0.349 -34.026 1.00 12.44 O ATOM 489 CB ARG A 30 -21.372 -2.196 -32.311 1.00 11.14 C ATOM 490 CG ARG A 30 -20.050 -1.471 -32.508 1.00 34.23 C ATOM 491 CD ARG A 30 -19.017 -2.367 -33.171 1.00 63.52 C ATOM 492 NE ARG A 30 -18.201 -3.081 -32.191 1.00 64.21 N ATOM 493 CZ ARG A 30 -17.203 -2.520 -31.518 1.00 21.00 C ATOM 494 NH1 ARG A 30 -16.899 -1.244 -31.717 1.00 33.45 N ATOM 495 NH2 ARG A 30 -16.507 -3.235 -30.644 1.00 13.54 N ATOM 0 H ARG A 30 -21.137 -1.458 -35.072 1.00 5.13 H new ATOM 0 HA ARG A 30 -23.185 -2.691 -33.352 1.00 14.14 H new ATOM 0 HB2 ARG A 30 -21.827 -1.858 -31.380 1.00 11.14 H new ATOM 0 HB3 ARG A 30 -21.179 -3.263 -32.202 1.00 11.14 H new ATOM 0 HG2 ARG A 30 -20.209 -0.583 -33.119 1.00 34.23 H new ATOM 0 HG3 ARG A 30 -19.673 -1.131 -31.543 1.00 34.23 H new ATOM 0 HD2 ARG A 30 -19.522 -3.087 -33.816 1.00 63.52 H new ATOM 0 HD3 ARG A 30 -18.371 -1.765 -33.810 1.00 63.52 H new ATOM 0 HE ARG A 30 -18.409 -4.064 -32.014 1.00 64.21 H new ATOM 0 HH11 ARG A 30 -17.432 -0.691 -32.388 1.00 33.45 H new ATOM 0 HH12 ARG A 30 -16.132 -0.816 -31.199 1.00 33.45 H new ATOM 0 HH21 ARG A 30 -16.738 -4.216 -30.489 1.00 13.54 H new ATOM 0 HH22 ARG A 30 -15.741 -2.804 -30.127 1.00 13.54 H new ATOM 509 N ILE A 31 -24.006 -0.400 -32.630 1.00 2.20 N ATOM 510 CA ILE A 31 -24.643 0.903 -32.486 1.00 41.34 C ATOM 511 C ILE A 31 -24.635 1.362 -31.032 1.00 35.20 C ATOM 512 O ILE A 31 -25.085 0.655 -30.130 1.00 12.14 O ATOM 513 CB ILE A 31 -26.096 0.878 -32.997 1.00 53.40 C ATOM 514 CG1 ILE A 31 -26.731 -0.488 -32.729 1.00 62.51 C ATOM 515 CG2 ILE A 31 -26.142 1.207 -34.482 1.00 31.12 C ATOM 516 CD1 ILE A 31 -28.205 -0.546 -33.061 1.00 4.31 C ATOM 0 H ILE A 31 -24.453 -1.150 -32.102 1.00 2.20 H new ATOM 0 HA ILE A 31 -24.066 1.605 -33.088 1.00 41.34 H new ATOM 0 HB ILE A 31 -26.667 1.635 -32.459 1.00 53.40 H new ATOM 0 HG12 ILE A 31 -26.206 -1.244 -33.312 1.00 62.51 H new ATOM 0 HG13 ILE A 31 -26.593 -0.743 -31.678 1.00 62.51 H new ATOM 0 HG21 ILE A 31 -27.176 1.185 -34.828 1.00 31.12 H new ATOM 0 HG22 ILE A 31 -25.725 2.200 -34.648 1.00 31.12 H new ATOM 0 HG23 ILE A 31 -25.559 0.471 -35.036 1.00 31.12 H new ATOM 0 HD11 ILE A 31 -28.587 -1.544 -32.846 1.00 4.31 H new ATOM 0 HD12 ILE A 31 -28.743 0.186 -32.459 1.00 4.31 H new ATOM 0 HD13 ILE A 31 -28.349 -0.322 -34.118 1.00 4.31 H new ATOM 528 N PRO A 32 -24.113 2.575 -30.797 1.00 21.53 N ATOM 529 CA PRO A 32 -24.036 3.156 -29.453 1.00 72.52 C ATOM 530 C PRO A 32 -25.408 3.532 -28.905 1.00 41.01 C ATOM 531 O PRO A 32 -25.875 4.657 -29.089 1.00 64.05 O ATOM 532 CB PRO A 32 -23.180 4.408 -29.658 1.00 4.42 C ATOM 533 CG PRO A 32 -23.374 4.770 -31.090 1.00 12.30 C ATOM 534 CD PRO A 32 -23.558 3.471 -31.824 1.00 54.35 C ATOM 0 HA PRO A 32 -23.623 2.455 -28.728 1.00 72.52 H new ATOM 0 HB2 PRO A 32 -23.497 5.216 -28.999 1.00 4.42 H new ATOM 0 HB3 PRO A 32 -22.131 4.210 -29.438 1.00 4.42 H new ATOM 0 HG2 PRO A 32 -24.243 5.415 -31.215 1.00 12.30 H new ATOM 0 HG3 PRO A 32 -22.513 5.317 -31.474 1.00 12.30 H new ATOM 0 HD2 PRO A 32 -24.236 3.580 -32.671 1.00 54.35 H new ATOM 0 HD3 PRO A 32 -22.614 3.095 -32.218 1.00 54.35 H new ATOM 542 N VAL A 33 -26.050 2.585 -28.230 1.00 13.34 N ATOM 543 CA VAL A 33 -27.369 2.819 -27.652 1.00 31.32 C ATOM 544 C VAL A 33 -27.267 3.168 -26.172 1.00 22.11 C ATOM 545 O VAL A 33 -26.425 2.630 -25.453 1.00 21.32 O ATOM 546 CB VAL A 33 -28.279 1.586 -27.816 1.00 14.21 C ATOM 547 CG1 VAL A 33 -28.578 1.335 -29.286 1.00 71.14 C ATOM 548 CG2 VAL A 33 -27.639 0.363 -27.176 1.00 50.44 C ATOM 0 H VAL A 33 -25.679 1.648 -28.069 1.00 13.34 H new ATOM 0 HA VAL A 33 -27.806 3.660 -28.191 1.00 31.32 H new ATOM 0 HB VAL A 33 -29.223 1.782 -27.307 1.00 14.21 H new ATOM 0 HG11 VAL A 33 -29.222 0.461 -29.382 1.00 71.14 H new ATOM 0 HG12 VAL A 33 -29.081 2.205 -29.709 1.00 71.14 H new ATOM 0 HG13 VAL A 33 -27.645 1.160 -29.822 1.00 71.14 H new ATOM 0 HG21 VAL A 33 -28.295 -0.498 -27.301 1.00 50.44 H new ATOM 0 HG22 VAL A 33 -26.680 0.162 -27.654 1.00 50.44 H new ATOM 0 HG23 VAL A 33 -27.482 0.548 -26.113 1.00 50.44 H new ATOM 558 N ILE A 34 -28.131 4.072 -25.722 1.00 50.04 N ATOM 559 CA ILE A 34 -28.139 4.493 -24.327 1.00 71.11 C ATOM 560 C ILE A 34 -29.564 4.676 -23.816 1.00 10.22 C ATOM 561 O ILE A 34 -30.183 5.718 -24.034 1.00 1.21 O ATOM 562 CB ILE A 34 -27.362 5.808 -24.131 1.00 3.21 C ATOM 563 CG1 ILE A 34 -25.857 5.559 -24.251 1.00 5.40 C ATOM 564 CG2 ILE A 34 -27.697 6.424 -22.780 1.00 63.12 C ATOM 565 CD1 ILE A 34 -25.032 6.827 -24.222 1.00 24.30 C ATOM 0 H ILE A 34 -28.835 4.527 -26.304 1.00 50.04 H new ATOM 0 HA ILE A 34 -27.650 3.703 -23.757 1.00 71.11 H new ATOM 0 HB ILE A 34 -27.658 6.509 -24.912 1.00 3.21 H new ATOM 0 HG12 ILE A 34 -25.538 4.909 -23.436 1.00 5.40 H new ATOM 0 HG13 ILE A 34 -25.658 5.026 -25.181 1.00 5.40 H new ATOM 0 HG21 ILE A 34 -27.140 7.353 -22.656 1.00 63.12 H new ATOM 0 HG22 ILE A 34 -28.766 6.632 -22.730 1.00 63.12 H new ATOM 0 HG23 ILE A 34 -27.425 5.729 -21.986 1.00 63.12 H new ATOM 0 HD11 ILE A 34 -23.975 6.576 -24.311 1.00 24.30 H new ATOM 0 HD12 ILE A 34 -25.324 7.470 -25.053 1.00 24.30 H new ATOM 0 HD13 ILE A 34 -25.202 7.350 -23.281 1.00 24.30 H new ATOM 577 N CYS A 35 -30.077 3.657 -23.136 1.00 15.45 N ATOM 578 CA CYS A 35 -31.431 3.706 -22.592 1.00 44.12 C ATOM 579 C CYS A 35 -31.476 4.547 -21.320 1.00 44.04 C ATOM 580 O CYS A 35 -30.529 4.550 -20.534 1.00 44.45 O ATOM 581 CB CYS A 35 -31.937 2.292 -22.301 1.00 61.14 C ATOM 582 SG CYS A 35 -31.197 1.530 -20.838 1.00 75.43 S ATOM 0 H CYS A 35 -29.578 2.788 -22.948 1.00 15.45 H new ATOM 0 HA CYS A 35 -32.079 4.170 -23.336 1.00 44.12 H new ATOM 0 HB2 CYS A 35 -33.019 2.324 -22.173 1.00 61.14 H new ATOM 0 HB3 CYS A 35 -31.737 1.661 -23.167 1.00 61.14 H new ATOM 0 HG CYS A 35 -29.929 1.333 -21.046 1.00 75.43 H new ATOM 588 N GLU A 36 -32.582 5.259 -21.126 1.00 64.34 N ATOM 589 CA GLU A 36 -32.748 6.106 -19.952 1.00 32.44 C ATOM 590 C GLU A 36 -33.714 5.470 -18.955 1.00 25.31 C ATOM 591 O GLU A 36 -34.520 4.612 -19.315 1.00 31.15 O ATOM 592 CB GLU A 36 -33.258 7.489 -20.360 1.00 53.52 C ATOM 593 CG GLU A 36 -32.251 8.297 -21.160 1.00 40.52 C ATOM 594 CD GLU A 36 -32.902 9.395 -21.978 1.00 4.41 C ATOM 595 OE1 GLU A 36 -33.253 10.442 -21.395 1.00 32.44 O ATOM 596 OE2 GLU A 36 -33.060 9.208 -23.203 1.00 11.51 O ATOM 0 H GLU A 36 -33.376 5.266 -21.767 1.00 64.34 H new ATOM 0 HA GLU A 36 -31.775 6.213 -19.473 1.00 32.44 H new ATOM 0 HB2 GLU A 36 -34.168 7.372 -20.949 1.00 53.52 H new ATOM 0 HB3 GLU A 36 -33.528 8.046 -19.463 1.00 53.52 H new ATOM 0 HG2 GLU A 36 -31.523 8.739 -20.480 1.00 40.52 H new ATOM 0 HG3 GLU A 36 -31.702 7.630 -21.825 1.00 40.52 H new ATOM 603 N LYS A 37 -33.624 5.895 -17.699 1.00 42.34 N ATOM 604 CA LYS A 37 -34.488 5.370 -16.649 1.00 54.32 C ATOM 605 C LYS A 37 -35.583 6.371 -16.295 1.00 34.04 C ATOM 606 O LYS A 37 -35.310 7.548 -16.064 1.00 42.24 O ATOM 607 CB LYS A 37 -33.665 5.035 -15.403 1.00 51.10 C ATOM 608 CG LYS A 37 -32.860 6.209 -14.873 1.00 24.20 C ATOM 609 CD LYS A 37 -33.195 6.505 -13.421 1.00 24.03 C ATOM 610 CE LYS A 37 -32.914 7.958 -13.069 1.00 32.50 C ATOM 611 NZ LYS A 37 -33.117 8.227 -11.619 1.00 12.03 N ATOM 0 H LYS A 37 -32.960 6.603 -17.384 1.00 42.34 H new ATOM 0 HA LYS A 37 -34.959 4.460 -17.021 1.00 54.32 H new ATOM 0 HB2 LYS A 37 -34.335 4.681 -14.619 1.00 51.10 H new ATOM 0 HB3 LYS A 37 -32.986 4.215 -15.636 1.00 51.10 H new ATOM 0 HG2 LYS A 37 -31.796 5.992 -14.965 1.00 24.20 H new ATOM 0 HG3 LYS A 37 -33.059 7.092 -15.481 1.00 24.20 H new ATOM 0 HD2 LYS A 37 -34.246 6.281 -13.236 1.00 24.03 H new ATOM 0 HD3 LYS A 37 -32.611 5.853 -12.772 1.00 24.03 H new ATOM 0 HE2 LYS A 37 -31.889 8.207 -13.344 1.00 32.50 H new ATOM 0 HE3 LYS A 37 -33.567 8.606 -13.653 1.00 32.50 H new ATOM 0 HZ1 LYS A 37 -32.915 9.228 -11.420 1.00 12.03 H new ATOM 0 HZ2 LYS A 37 -34.102 8.014 -11.361 1.00 12.03 H new ATOM 0 HZ3 LYS A 37 -32.476 7.627 -11.062 1.00 12.03 H new ATOM 625 N ALA A 38 -36.823 5.894 -16.250 1.00 71.05 N ATOM 626 CA ALA A 38 -37.958 6.745 -15.921 1.00 13.33 C ATOM 627 C ALA A 38 -38.235 6.735 -14.421 1.00 24.32 C ATOM 628 O ALA A 38 -38.166 5.689 -13.776 1.00 4.45 O ATOM 629 CB ALA A 38 -39.193 6.302 -16.690 1.00 72.14 C ATOM 0 H ALA A 38 -37.066 4.921 -16.438 1.00 71.05 H new ATOM 0 HA ALA A 38 -37.710 7.766 -16.212 1.00 13.33 H new ATOM 0 HB1 ALA A 38 -40.033 6.948 -16.433 1.00 72.14 H new ATOM 0 HB2 ALA A 38 -38.998 6.368 -17.760 1.00 72.14 H new ATOM 0 HB3 ALA A 38 -39.434 5.272 -16.428 1.00 72.14 H new ATOM 635 N GLU A 39 -38.548 7.905 -13.873 1.00 60.33 N ATOM 636 CA GLU A 39 -38.833 8.028 -12.448 1.00 52.13 C ATOM 637 C GLU A 39 -40.297 7.713 -12.157 1.00 33.11 C ATOM 638 O GLU A 39 -40.725 7.705 -11.002 1.00 60.02 O ATOM 639 CB GLU A 39 -38.496 9.439 -11.959 1.00 21.03 C ATOM 640 CG GLU A 39 -37.048 9.604 -11.529 1.00 53.54 C ATOM 641 CD GLU A 39 -36.850 10.771 -10.582 1.00 3.43 C ATOM 642 OE1 GLU A 39 -36.984 11.930 -11.029 1.00 72.55 O ATOM 643 OE2 GLU A 39 -36.562 10.526 -9.392 1.00 31.45 O ATOM 0 H GLU A 39 -38.611 8.780 -14.393 1.00 60.33 H new ATOM 0 HA GLU A 39 -38.212 7.308 -11.915 1.00 52.13 H new ATOM 0 HB2 GLU A 39 -38.714 10.152 -12.754 1.00 21.03 H new ATOM 0 HB3 GLU A 39 -39.146 9.689 -11.120 1.00 21.03 H new ATOM 0 HG2 GLU A 39 -36.710 8.687 -11.046 1.00 53.54 H new ATOM 0 HG3 GLU A 39 -36.425 9.748 -12.412 1.00 53.54 H new ATOM 650 N LYS A 40 -41.061 7.455 -13.212 1.00 74.42 N ATOM 651 CA LYS A 40 -42.478 7.138 -13.073 1.00 22.15 C ATOM 652 C LYS A 40 -42.717 5.639 -13.220 1.00 51.20 C ATOM 653 O LYS A 40 -43.372 5.195 -14.162 1.00 73.44 O ATOM 654 CB LYS A 40 -43.297 7.901 -14.117 1.00 13.15 C ATOM 655 CG LYS A 40 -44.747 8.115 -13.714 1.00 60.33 C ATOM 656 CD LYS A 40 -45.447 9.085 -14.650 1.00 32.42 C ATOM 657 CE LYS A 40 -46.728 9.627 -14.033 1.00 41.20 C ATOM 658 NZ LYS A 40 -46.449 10.654 -12.992 1.00 12.45 N ATOM 0 H LYS A 40 -40.723 7.459 -14.174 1.00 74.42 H new ATOM 0 HA LYS A 40 -42.797 7.443 -12.076 1.00 22.15 H new ATOM 0 HB2 LYS A 40 -42.831 8.870 -14.295 1.00 13.15 H new ATOM 0 HB3 LYS A 40 -43.267 7.355 -15.060 1.00 13.15 H new ATOM 0 HG2 LYS A 40 -45.272 7.160 -13.719 1.00 60.33 H new ATOM 0 HG3 LYS A 40 -44.790 8.497 -12.694 1.00 60.33 H new ATOM 0 HD2 LYS A 40 -44.777 9.912 -14.886 1.00 32.42 H new ATOM 0 HD3 LYS A 40 -45.678 8.583 -15.590 1.00 32.42 H new ATOM 0 HE2 LYS A 40 -47.352 10.061 -14.814 1.00 41.20 H new ATOM 0 HE3 LYS A 40 -47.294 8.807 -13.592 1.00 41.20 H new ATOM 0 HZ1 LYS A 40 -47.337 11.119 -12.716 1.00 12.45 H new ATOM 0 HZ2 LYS A 40 -46.024 10.198 -12.159 1.00 12.45 H new ATOM 0 HZ3 LYS A 40 -45.790 11.363 -13.372 1.00 12.45 H new ATOM 672 N SER A 41 -42.183 4.865 -12.281 1.00 73.44 N ATOM 673 CA SER A 41 -42.338 3.415 -12.307 1.00 63.44 C ATOM 674 C SER A 41 -41.643 2.772 -11.111 1.00 23.13 C ATOM 675 O SER A 41 -40.761 3.372 -10.496 1.00 32.33 O ATOM 676 CB SER A 41 -41.769 2.843 -13.608 1.00 13.42 C ATOM 677 OG SER A 41 -41.704 1.429 -13.559 1.00 31.12 O ATOM 0 H SER A 41 -41.639 5.217 -11.493 1.00 73.44 H new ATOM 0 HA SER A 41 -43.403 3.188 -12.252 1.00 63.44 H new ATOM 0 HB2 SER A 41 -42.391 3.152 -14.448 1.00 13.42 H new ATOM 0 HB3 SER A 41 -40.773 3.250 -13.783 1.00 13.42 H new ATOM 0 HG SER A 41 -41.970 1.059 -14.427 1.00 31.12 H new ATOM 683 N ASP A 42 -42.046 1.548 -10.787 1.00 13.44 N ATOM 684 CA ASP A 42 -41.462 0.823 -9.665 1.00 31.21 C ATOM 685 C ASP A 42 -40.154 0.152 -10.073 1.00 11.02 C ATOM 686 O ASP A 42 -39.514 -0.523 -9.266 1.00 60.13 O ATOM 687 CB ASP A 42 -42.445 -0.225 -9.140 1.00 43.43 C ATOM 688 CG ASP A 42 -42.129 -0.657 -7.722 1.00 43.32 C ATOM 689 OD1 ASP A 42 -41.244 -0.036 -7.095 1.00 40.22 O ATOM 690 OD2 ASP A 42 -42.766 -1.615 -7.238 1.00 51.01 O ATOM 0 H ASP A 42 -42.775 1.037 -11.286 1.00 13.44 H new ATOM 0 HA ASP A 42 -41.250 1.540 -8.872 1.00 31.21 H new ATOM 0 HB2 ASP A 42 -43.456 0.180 -9.176 1.00 43.43 H new ATOM 0 HB3 ASP A 42 -42.426 -1.096 -9.795 1.00 43.43 H new ATOM 695 N ILE A 43 -39.764 0.343 -11.328 1.00 74.10 N ATOM 696 CA ILE A 43 -38.532 -0.244 -11.843 1.00 13.32 C ATOM 697 C ILE A 43 -37.309 0.489 -11.304 1.00 63.35 C ATOM 698 O ILE A 43 -37.235 1.718 -11.315 1.00 22.12 O ATOM 699 CB ILE A 43 -38.496 -0.218 -13.382 1.00 54.23 C ATOM 700 CG1 ILE A 43 -37.344 -1.080 -13.901 1.00 54.42 C ATOM 701 CG2 ILE A 43 -38.365 1.212 -13.884 1.00 51.23 C ATOM 702 CD1 ILE A 43 -37.281 -1.158 -15.410 1.00 45.34 C ATOM 0 H ILE A 43 -40.283 0.899 -12.008 1.00 74.10 H new ATOM 0 HA ILE A 43 -38.510 -1.280 -11.506 1.00 13.32 H new ATOM 0 HB ILE A 43 -39.431 -0.630 -13.761 1.00 54.23 H new ATOM 0 HG12 ILE A 43 -36.403 -0.678 -13.526 1.00 54.42 H new ATOM 0 HG13 ILE A 43 -37.444 -2.087 -13.497 1.00 54.42 H new ATOM 0 HG21 ILE A 43 -38.341 1.214 -14.974 1.00 51.23 H new ATOM 0 HG22 ILE A 43 -39.217 1.798 -13.539 1.00 51.23 H new ATOM 0 HG23 ILE A 43 -37.444 1.650 -13.500 1.00 51.23 H new ATOM 0 HD11 ILE A 43 -36.440 -1.785 -15.707 1.00 45.34 H new ATOM 0 HD12 ILE A 43 -38.207 -1.588 -15.791 1.00 45.34 H new ATOM 0 HD13 ILE A 43 -37.150 -0.157 -15.821 1.00 45.34 H new ATOM 714 N PRO A 44 -36.322 -0.282 -10.822 1.00 62.53 N ATOM 715 CA PRO A 44 -35.081 0.271 -10.273 1.00 42.43 C ATOM 716 C PRO A 44 -34.200 0.897 -11.349 1.00 1.05 C ATOM 717 O PRO A 44 -34.386 0.649 -12.539 1.00 75.30 O ATOM 718 CB PRO A 44 -34.390 -0.948 -9.658 1.00 64.24 C ATOM 719 CG PRO A 44 -34.926 -2.112 -10.420 1.00 10.12 C ATOM 720 CD PRO A 44 -36.343 -1.755 -10.778 1.00 44.31 C ATOM 0 HA PRO A 44 -35.273 1.073 -9.560 1.00 42.43 H new ATOM 0 HB2 PRO A 44 -33.306 -0.878 -9.752 1.00 64.24 H new ATOM 0 HB3 PRO A 44 -34.613 -1.035 -8.594 1.00 64.24 H new ATOM 0 HG2 PRO A 44 -34.333 -2.299 -11.315 1.00 10.12 H new ATOM 0 HG3 PRO A 44 -34.892 -3.021 -9.819 1.00 10.12 H new ATOM 0 HD2 PRO A 44 -36.635 -2.182 -11.738 1.00 44.31 H new ATOM 0 HD3 PRO A 44 -37.051 -2.125 -10.036 1.00 44.31 H new ATOM 728 N GLU A 45 -33.238 1.710 -10.920 1.00 24.43 N ATOM 729 CA GLU A 45 -32.328 2.371 -11.848 1.00 55.43 C ATOM 730 C GLU A 45 -31.123 1.486 -12.152 1.00 20.21 C ATOM 731 O GLU A 45 -30.420 1.043 -11.243 1.00 70.43 O ATOM 732 CB GLU A 45 -31.860 3.709 -11.271 1.00 25.54 C ATOM 733 CG GLU A 45 -30.660 4.296 -11.994 1.00 62.03 C ATOM 734 CD GLU A 45 -30.391 5.737 -11.603 1.00 61.23 C ATOM 735 OE1 GLU A 45 -30.707 6.108 -10.454 1.00 33.55 O ATOM 736 OE2 GLU A 45 -29.865 6.493 -12.447 1.00 25.43 O ATOM 0 H GLU A 45 -33.070 1.926 -9.937 1.00 24.43 H new ATOM 0 HA GLU A 45 -32.867 2.553 -12.778 1.00 55.43 H new ATOM 0 HB2 GLU A 45 -32.684 4.422 -11.314 1.00 25.54 H new ATOM 0 HB3 GLU A 45 -31.609 3.574 -10.219 1.00 25.54 H new ATOM 0 HG2 GLU A 45 -29.778 3.693 -11.775 1.00 62.03 H new ATOM 0 HG3 GLU A 45 -30.826 4.240 -13.070 1.00 62.03 H new ATOM 743 N ILE A 46 -30.892 1.232 -13.436 1.00 21.33 N ATOM 744 CA ILE A 46 -29.772 0.401 -13.860 1.00 70.43 C ATOM 745 C ILE A 46 -28.449 1.144 -13.713 1.00 50.24 C ATOM 746 O ILE A 46 -28.390 2.364 -13.869 1.00 31.45 O ATOM 747 CB ILE A 46 -29.932 -0.056 -15.322 1.00 11.21 C ATOM 748 CG1 ILE A 46 -31.272 -0.769 -15.512 1.00 73.34 C ATOM 749 CG2 ILE A 46 -28.780 -0.966 -15.723 1.00 13.04 C ATOM 750 CD1 ILE A 46 -31.583 -1.097 -16.956 1.00 53.12 C ATOM 0 H ILE A 46 -31.465 1.590 -14.200 1.00 21.33 H new ATOM 0 HA ILE A 46 -29.767 -0.476 -13.212 1.00 70.43 H new ATOM 0 HB ILE A 46 -29.915 0.823 -15.966 1.00 11.21 H new ATOM 0 HG12 ILE A 46 -31.269 -1.691 -14.931 1.00 73.34 H new ATOM 0 HG13 ILE A 46 -32.068 -0.142 -15.111 1.00 73.34 H new ATOM 0 HG21 ILE A 46 -28.908 -1.280 -16.759 1.00 13.04 H new ATOM 0 HG22 ILE A 46 -27.838 -0.427 -15.621 1.00 13.04 H new ATOM 0 HG23 ILE A 46 -28.768 -1.844 -15.077 1.00 13.04 H new ATOM 0 HD11 ILE A 46 -32.548 -1.601 -17.015 1.00 53.12 H new ATOM 0 HD12 ILE A 46 -31.618 -0.177 -17.539 1.00 53.12 H new ATOM 0 HD13 ILE A 46 -30.807 -1.750 -17.356 1.00 53.12 H new ATOM 762 N ASP A 47 -27.389 0.400 -13.416 1.00 10.32 N ATOM 763 CA ASP A 47 -26.065 0.988 -13.251 1.00 61.14 C ATOM 764 C ASP A 47 -25.362 1.130 -14.598 1.00 14.44 C ATOM 765 O ASP A 47 -24.756 2.162 -14.889 1.00 11.25 O ATOM 766 CB ASP A 47 -25.217 0.133 -12.308 1.00 51.44 C ATOM 767 CG ASP A 47 -26.025 -0.433 -11.156 1.00 61.15 C ATOM 768 OD1 ASP A 47 -26.723 -1.448 -11.364 1.00 40.22 O ATOM 769 OD2 ASP A 47 -25.961 0.139 -10.048 1.00 63.02 O ATOM 0 H ASP A 47 -27.421 -0.611 -13.285 1.00 10.32 H new ATOM 0 HA ASP A 47 -26.187 1.981 -12.818 1.00 61.14 H new ATOM 0 HB2 ASP A 47 -24.768 -0.686 -12.870 1.00 51.44 H new ATOM 0 HB3 ASP A 47 -24.399 0.735 -11.913 1.00 51.44 H new ATOM 774 N LYS A 48 -25.446 0.087 -15.416 1.00 40.35 N ATOM 775 CA LYS A 48 -24.820 0.095 -16.733 1.00 0.13 C ATOM 776 C LYS A 48 -25.215 1.342 -17.517 1.00 1.31 C ATOM 777 O LYS A 48 -26.380 1.741 -17.521 1.00 5.53 O ATOM 778 CB LYS A 48 -25.215 -1.159 -17.516 1.00 53.25 C ATOM 779 CG LYS A 48 -24.245 -2.315 -17.344 1.00 41.40 C ATOM 780 CD LYS A 48 -23.025 -2.156 -18.234 1.00 61.34 C ATOM 781 CE LYS A 48 -23.297 -2.648 -19.648 1.00 14.44 C ATOM 782 NZ LYS A 48 -22.041 -2.982 -20.372 1.00 23.43 N ATOM 0 H LYS A 48 -25.942 -0.775 -15.190 1.00 40.35 H new ATOM 0 HA LYS A 48 -23.739 0.103 -16.593 1.00 0.13 H new ATOM 0 HB2 LYS A 48 -26.207 -1.478 -17.198 1.00 53.25 H new ATOM 0 HB3 LYS A 48 -25.285 -0.909 -18.575 1.00 53.25 H new ATOM 0 HG2 LYS A 48 -23.931 -2.376 -16.302 1.00 41.40 H new ATOM 0 HG3 LYS A 48 -24.749 -3.252 -17.580 1.00 41.40 H new ATOM 0 HD2 LYS A 48 -22.729 -1.107 -18.263 1.00 61.34 H new ATOM 0 HD3 LYS A 48 -22.189 -2.711 -17.809 1.00 61.34 H new ATOM 0 HE2 LYS A 48 -23.938 -3.529 -19.609 1.00 14.44 H new ATOM 0 HE3 LYS A 48 -23.841 -1.882 -20.200 1.00 14.44 H new ATOM 0 HZ1 LYS A 48 -22.271 -3.313 -21.331 1.00 23.43 H new ATOM 0 HZ2 LYS A 48 -21.440 -2.136 -20.433 1.00 23.43 H new ATOM 0 HZ3 LYS A 48 -21.534 -3.731 -19.859 1.00 23.43 H new ATOM 796 N ARG A 49 -24.238 1.952 -18.181 1.00 53.40 N ATOM 797 CA ARG A 49 -24.486 3.154 -18.969 1.00 64.31 C ATOM 798 C ARG A 49 -24.568 2.822 -20.455 1.00 62.35 C ATOM 799 O ARG A 49 -25.651 2.805 -21.040 1.00 35.12 O ATOM 800 CB ARG A 49 -23.380 4.185 -18.726 1.00 35.41 C ATOM 801 CG ARG A 49 -23.592 5.021 -17.475 1.00 73.42 C ATOM 802 CD ARG A 49 -22.351 5.826 -17.127 1.00 4.12 C ATOM 803 NE ARG A 49 -22.448 6.436 -15.803 1.00 3.42 N ATOM 804 CZ ARG A 49 -21.706 7.468 -15.414 1.00 52.21 C ATOM 805 NH1 ARG A 49 -20.819 8.002 -16.242 1.00 34.21 N ATOM 806 NH2 ARG A 49 -21.852 7.968 -14.194 1.00 15.31 N ATOM 0 H ARG A 49 -23.269 1.634 -18.189 1.00 53.40 H new ATOM 0 HA ARG A 49 -25.442 3.574 -18.655 1.00 64.31 H new ATOM 0 HB2 ARG A 49 -22.423 3.668 -18.650 1.00 35.41 H new ATOM 0 HB3 ARG A 49 -23.316 4.848 -19.589 1.00 35.41 H new ATOM 0 HG2 ARG A 49 -24.435 5.696 -17.625 1.00 73.42 H new ATOM 0 HG3 ARG A 49 -23.851 4.370 -16.640 1.00 73.42 H new ATOM 0 HD2 ARG A 49 -21.476 5.177 -17.164 1.00 4.12 H new ATOM 0 HD3 ARG A 49 -22.202 6.605 -17.875 1.00 4.12 H new ATOM 0 HE ARG A 49 -23.121 6.049 -15.142 1.00 3.42 H new ATOM 0 HH11 ARG A 49 -20.704 7.621 -17.181 1.00 34.21 H new ATOM 0 HH12 ARG A 49 -20.251 8.794 -15.940 1.00 34.21 H new ATOM 0 HH21 ARG A 49 -22.534 7.561 -13.554 1.00 15.31 H new ATOM 0 HH22 ARG A 49 -21.282 8.760 -13.896 1.00 15.31 H new ATOM 820 N LYS A 50 -23.416 2.558 -21.063 1.00 2.32 N ATOM 821 CA LYS A 50 -23.357 2.226 -22.481 1.00 30.12 C ATOM 822 C LYS A 50 -23.754 0.772 -22.716 1.00 63.35 C ATOM 823 O LYS A 50 -23.437 -0.105 -21.913 1.00 72.34 O ATOM 824 CB LYS A 50 -21.948 2.475 -23.026 1.00 52.23 C ATOM 825 CG LYS A 50 -21.900 2.637 -24.536 1.00 32.32 C ATOM 826 CD LYS A 50 -20.656 3.390 -24.976 1.00 22.31 C ATOM 827 CE LYS A 50 -19.436 2.481 -25.004 1.00 11.11 C ATOM 828 NZ LYS A 50 -18.745 2.439 -23.685 1.00 42.21 N ATOM 0 H LYS A 50 -22.510 2.568 -20.595 1.00 2.32 H new ATOM 0 HA LYS A 50 -24.063 2.867 -23.009 1.00 30.12 H new ATOM 0 HB2 LYS A 50 -21.540 3.372 -22.560 1.00 52.23 H new ATOM 0 HB3 LYS A 50 -21.304 1.645 -22.737 1.00 52.23 H new ATOM 0 HG2 LYS A 50 -21.919 1.655 -25.009 1.00 32.32 H new ATOM 0 HG3 LYS A 50 -22.788 3.171 -24.874 1.00 32.32 H new ATOM 0 HD2 LYS A 50 -20.818 3.815 -25.967 1.00 22.31 H new ATOM 0 HD3 LYS A 50 -20.475 4.224 -24.298 1.00 22.31 H new ATOM 0 HE2 LYS A 50 -19.740 1.473 -25.287 1.00 11.11 H new ATOM 0 HE3 LYS A 50 -18.741 2.830 -25.767 1.00 11.11 H new ATOM 0 HZ1 LYS A 50 -17.735 2.238 -23.829 1.00 42.21 H new ATOM 0 HZ2 LYS A 50 -18.851 3.357 -23.208 1.00 42.21 H new ATOM 0 HZ3 LYS A 50 -19.166 1.692 -23.096 1.00 42.21 H new ATOM 842 N TYR A 51 -24.447 0.524 -23.822 1.00 23.05 N ATOM 843 CA TYR A 51 -24.888 -0.824 -24.162 1.00 0.53 C ATOM 844 C TYR A 51 -24.465 -1.193 -25.581 1.00 24.45 C ATOM 845 O TYR A 51 -25.048 -0.723 -26.557 1.00 74.14 O ATOM 846 CB TYR A 51 -26.407 -0.936 -24.025 1.00 50.53 C ATOM 847 CG TYR A 51 -26.916 -0.613 -22.638 1.00 44.41 C ATOM 848 CD1 TYR A 51 -26.904 -1.571 -21.632 1.00 51.23 C ATOM 849 CD2 TYR A 51 -27.408 0.651 -22.334 1.00 35.33 C ATOM 850 CE1 TYR A 51 -27.368 -1.281 -20.364 1.00 40.34 C ATOM 851 CE2 TYR A 51 -27.873 0.949 -21.068 1.00 41.32 C ATOM 852 CZ TYR A 51 -27.851 -0.019 -20.087 1.00 32.42 C ATOM 853 OH TYR A 51 -28.314 0.274 -18.825 1.00 13.13 O ATOM 0 H TYR A 51 -24.716 1.239 -24.498 1.00 23.05 H new ATOM 0 HA TYR A 51 -24.416 -1.520 -23.469 1.00 0.53 H new ATOM 0 HB2 TYR A 51 -26.878 -0.263 -24.742 1.00 50.53 H new ATOM 0 HB3 TYR A 51 -26.713 -1.948 -24.289 1.00 50.53 H new ATOM 0 HD1 TYR A 51 -26.525 -2.560 -21.845 1.00 51.23 H new ATOM 0 HD2 TYR A 51 -27.427 1.412 -23.100 1.00 35.33 H new ATOM 0 HE1 TYR A 51 -27.353 -2.038 -19.594 1.00 40.34 H new ATOM 0 HE2 TYR A 51 -28.252 1.936 -20.848 1.00 41.32 H new ATOM 0 HH TYR A 51 -27.605 0.712 -18.310 1.00 13.13 H new ATOM 863 N LEU A 52 -23.446 -2.039 -25.685 1.00 33.52 N ATOM 864 CA LEU A 52 -22.944 -2.475 -26.984 1.00 11.13 C ATOM 865 C LEU A 52 -23.972 -3.342 -27.703 1.00 53.10 C ATOM 866 O LEU A 52 -23.998 -4.561 -27.535 1.00 31.30 O ATOM 867 CB LEU A 52 -21.636 -3.250 -26.812 1.00 72.14 C ATOM 868 CG LEU A 52 -20.628 -3.124 -27.954 1.00 64.14 C ATOM 869 CD1 LEU A 52 -21.302 -3.381 -29.294 1.00 3.21 C ATOM 870 CD2 LEU A 52 -19.973 -1.751 -27.939 1.00 52.42 C ATOM 0 H LEU A 52 -22.951 -2.437 -24.886 1.00 33.52 H new ATOM 0 HA LEU A 52 -22.758 -1.589 -27.590 1.00 11.13 H new ATOM 0 HB2 LEU A 52 -21.157 -2.915 -25.892 1.00 72.14 H new ATOM 0 HB3 LEU A 52 -21.876 -4.305 -26.681 1.00 72.14 H new ATOM 0 HG LEU A 52 -19.852 -3.876 -27.811 1.00 64.14 H new ATOM 0 HD11 LEU A 52 -20.568 -3.287 -30.094 1.00 3.21 H new ATOM 0 HD12 LEU A 52 -21.722 -4.387 -29.303 1.00 3.21 H new ATOM 0 HD13 LEU A 52 -22.100 -2.654 -29.446 1.00 3.21 H new ATOM 0 HD21 LEU A 52 -19.258 -1.680 -28.759 1.00 52.42 H new ATOM 0 HD22 LEU A 52 -20.737 -0.982 -28.055 1.00 52.42 H new ATOM 0 HD23 LEU A 52 -19.454 -1.606 -26.992 1.00 52.42 H new ATOM 882 N VAL A 53 -24.819 -2.705 -28.506 1.00 32.30 N ATOM 883 CA VAL A 53 -25.848 -3.418 -29.253 1.00 45.24 C ATOM 884 C VAL A 53 -25.444 -3.595 -30.713 1.00 12.43 C ATOM 885 O VAL A 53 -25.087 -2.640 -31.404 1.00 12.24 O ATOM 886 CB VAL A 53 -27.199 -2.682 -29.191 1.00 25.22 C ATOM 887 CG1 VAL A 53 -28.165 -3.251 -30.218 1.00 54.31 C ATOM 888 CG2 VAL A 53 -27.787 -2.765 -27.791 1.00 21.25 C ATOM 0 H VAL A 53 -24.812 -1.696 -28.656 1.00 32.30 H new ATOM 0 HA VAL A 53 -25.955 -4.398 -28.787 1.00 45.24 H new ATOM 0 HB VAL A 53 -27.032 -1.631 -29.428 1.00 25.22 H new ATOM 0 HG11 VAL A 53 -29.114 -2.718 -30.159 1.00 54.31 H new ATOM 0 HG12 VAL A 53 -27.745 -3.134 -31.217 1.00 54.31 H new ATOM 0 HG13 VAL A 53 -28.330 -4.309 -30.015 1.00 54.31 H new ATOM 0 HG21 VAL A 53 -28.742 -2.240 -27.766 1.00 21.25 H new ATOM 0 HG22 VAL A 53 -27.941 -3.810 -27.522 1.00 21.25 H new ATOM 0 HG23 VAL A 53 -27.101 -2.305 -27.080 1.00 21.25 H new ATOM 898 N PRO A 54 -25.501 -4.844 -31.196 1.00 32.51 N ATOM 899 CA PRO A 54 -25.145 -5.175 -32.579 1.00 75.52 C ATOM 900 C PRO A 54 -26.159 -4.636 -33.583 1.00 31.45 C ATOM 901 O PRO A 54 -27.329 -4.444 -33.254 1.00 10.22 O ATOM 902 CB PRO A 54 -25.146 -6.706 -32.588 1.00 71.01 C ATOM 903 CG PRO A 54 -26.068 -7.092 -31.483 1.00 42.04 C ATOM 904 CD PRO A 54 -25.918 -6.030 -30.429 1.00 22.15 C ATOM 0 HA PRO A 54 -24.192 -4.734 -32.872 1.00 75.52 H new ATOM 0 HB2 PRO A 54 -25.491 -7.096 -33.546 1.00 71.01 H new ATOM 0 HB3 PRO A 54 -24.144 -7.103 -32.424 1.00 71.01 H new ATOM 0 HG2 PRO A 54 -27.098 -7.149 -31.836 1.00 42.04 H new ATOM 0 HG3 PRO A 54 -25.812 -8.074 -31.086 1.00 42.04 H new ATOM 0 HD2 PRO A 54 -26.854 -5.856 -29.898 1.00 22.15 H new ATOM 0 HD3 PRO A 54 -25.174 -6.307 -29.682 1.00 22.15 H new ATOM 912 N ALA A 55 -25.702 -4.396 -34.807 1.00 11.32 N ATOM 913 CA ALA A 55 -26.570 -3.882 -35.859 1.00 10.32 C ATOM 914 C ALA A 55 -27.643 -4.899 -36.232 1.00 11.43 C ATOM 915 O ALA A 55 -28.594 -4.579 -36.943 1.00 53.51 O ATOM 916 CB ALA A 55 -25.749 -3.505 -37.083 1.00 44.01 C ATOM 0 H ALA A 55 -24.736 -4.549 -35.095 1.00 11.32 H new ATOM 0 HA ALA A 55 -27.069 -2.990 -35.481 1.00 10.32 H new ATOM 0 HB1 ALA A 55 -26.410 -3.123 -37.861 1.00 44.01 H new ATOM 0 HB2 ALA A 55 -25.024 -2.737 -36.813 1.00 44.01 H new ATOM 0 HB3 ALA A 55 -25.223 -4.385 -37.454 1.00 44.01 H new ATOM 922 N ASP A 56 -27.482 -6.125 -35.747 1.00 64.23 N ATOM 923 CA ASP A 56 -28.438 -7.190 -36.030 1.00 62.13 C ATOM 924 C ASP A 56 -29.313 -7.472 -34.812 1.00 62.10 C ATOM 925 O ASP A 56 -29.966 -8.513 -34.731 1.00 41.02 O ATOM 926 CB ASP A 56 -27.704 -8.464 -36.452 1.00 40.44 C ATOM 927 CG ASP A 56 -26.453 -8.172 -37.256 1.00 30.21 C ATOM 928 OD1 ASP A 56 -26.582 -7.807 -38.443 1.00 41.24 O ATOM 929 OD2 ASP A 56 -25.344 -8.309 -36.699 1.00 23.15 O ATOM 0 H ASP A 56 -26.699 -6.406 -35.156 1.00 64.23 H new ATOM 0 HA ASP A 56 -29.079 -6.862 -36.848 1.00 62.13 H new ATOM 0 HB2 ASP A 56 -27.436 -9.037 -35.564 1.00 40.44 H new ATOM 0 HB3 ASP A 56 -28.375 -9.088 -37.043 1.00 40.44 H new ATOM 934 N LEU A 57 -29.321 -6.539 -33.867 1.00 5.15 N ATOM 935 CA LEU A 57 -30.114 -6.687 -32.653 1.00 11.14 C ATOM 936 C LEU A 57 -31.582 -6.372 -32.920 1.00 14.35 C ATOM 937 O LEU A 57 -31.905 -5.452 -33.673 1.00 30.33 O ATOM 938 CB LEU A 57 -29.576 -5.769 -31.553 1.00 3.35 C ATOM 939 CG LEU A 57 -29.897 -6.183 -30.116 1.00 64.51 C ATOM 940 CD1 LEU A 57 -31.343 -5.861 -29.778 1.00 35.10 C ATOM 941 CD2 LEU A 57 -29.616 -7.666 -29.914 1.00 1.45 C ATOM 0 H LEU A 57 -28.787 -5.672 -33.918 1.00 5.15 H new ATOM 0 HA LEU A 57 -30.037 -7.723 -32.323 1.00 11.14 H new ATOM 0 HB2 LEU A 57 -28.493 -5.705 -31.658 1.00 3.35 H new ATOM 0 HB3 LEU A 57 -29.972 -4.767 -31.718 1.00 3.35 H new ATOM 0 HG LEU A 57 -29.254 -5.616 -29.442 1.00 64.51 H new ATOM 0 HD11 LEU A 57 -31.553 -6.163 -28.752 1.00 35.10 H new ATOM 0 HD12 LEU A 57 -31.511 -4.789 -29.883 1.00 35.10 H new ATOM 0 HD13 LEU A 57 -32.004 -6.400 -30.457 1.00 35.10 H new ATOM 0 HD21 LEU A 57 -29.850 -7.944 -28.886 1.00 1.45 H new ATOM 0 HD22 LEU A 57 -30.233 -8.250 -30.597 1.00 1.45 H new ATOM 0 HD23 LEU A 57 -28.564 -7.867 -30.114 1.00 1.45 H new ATOM 953 N THR A 58 -32.470 -7.140 -32.296 1.00 21.34 N ATOM 954 CA THR A 58 -33.904 -6.943 -32.465 1.00 71.51 C ATOM 955 C THR A 58 -34.544 -6.428 -31.181 1.00 72.40 C ATOM 956 O THR A 58 -34.061 -6.703 -30.082 1.00 51.03 O ATOM 957 CB THR A 58 -34.605 -8.249 -32.887 1.00 45.42 C ATOM 958 OG1 THR A 58 -34.708 -9.133 -31.766 1.00 30.23 O ATOM 959 CG2 THR A 58 -33.842 -8.933 -34.011 1.00 62.42 C ATOM 0 H THR A 58 -32.221 -7.905 -31.669 1.00 21.34 H new ATOM 0 HA THR A 58 -34.030 -6.201 -33.253 1.00 71.51 H new ATOM 0 HB THR A 58 -35.604 -8.001 -33.246 1.00 45.42 H new ATOM 0 HG1 THR A 58 -35.650 -9.238 -31.518 1.00 30.23 H new ATOM 0 HG21 THR A 58 -34.355 -9.853 -34.292 1.00 62.42 H new ATOM 0 HG22 THR A 58 -33.790 -8.268 -34.873 1.00 62.42 H new ATOM 0 HG23 THR A 58 -32.833 -9.169 -33.674 1.00 62.42 H new ATOM 967 N VAL A 59 -35.634 -5.682 -31.326 1.00 12.12 N ATOM 968 CA VAL A 59 -36.342 -5.131 -30.177 1.00 1.04 C ATOM 969 C VAL A 59 -36.620 -6.208 -29.134 1.00 12.43 C ATOM 970 O VAL A 59 -36.350 -6.023 -27.949 1.00 20.12 O ATOM 971 CB VAL A 59 -37.674 -4.481 -30.596 1.00 53.11 C ATOM 972 CG1 VAL A 59 -38.430 -3.977 -29.376 1.00 41.21 C ATOM 973 CG2 VAL A 59 -37.427 -3.351 -31.585 1.00 72.43 C ATOM 0 H VAL A 59 -36.046 -5.445 -32.228 1.00 12.12 H new ATOM 0 HA VAL A 59 -35.695 -4.368 -29.744 1.00 1.04 H new ATOM 0 HB VAL A 59 -38.288 -5.236 -31.087 1.00 53.11 H new ATOM 0 HG11 VAL A 59 -39.368 -3.521 -29.692 1.00 41.21 H new ATOM 0 HG12 VAL A 59 -38.639 -4.812 -28.707 1.00 41.21 H new ATOM 0 HG13 VAL A 59 -37.825 -3.236 -28.853 1.00 41.21 H new ATOM 0 HG21 VAL A 59 -38.379 -2.903 -31.871 1.00 72.43 H new ATOM 0 HG22 VAL A 59 -36.794 -2.594 -31.122 1.00 72.43 H new ATOM 0 HG23 VAL A 59 -36.931 -3.746 -32.472 1.00 72.43 H new ATOM 983 N GLY A 60 -37.163 -7.335 -29.585 1.00 45.23 N ATOM 984 CA GLY A 60 -37.469 -8.426 -28.679 1.00 41.12 C ATOM 985 C GLY A 60 -36.244 -8.923 -27.936 1.00 55.32 C ATOM 986 O GLY A 60 -36.300 -9.171 -26.732 1.00 42.42 O ATOM 0 H GLY A 60 -37.396 -7.511 -30.562 1.00 45.23 H new ATOM 0 HA2 GLY A 60 -38.218 -8.097 -27.959 1.00 41.12 H new ATOM 0 HA3 GLY A 60 -37.908 -9.250 -29.242 1.00 41.12 H new ATOM 990 N GLN A 61 -35.138 -9.071 -28.657 1.00 64.33 N ATOM 991 CA GLN A 61 -33.895 -9.546 -28.059 1.00 0.32 C ATOM 992 C GLN A 61 -33.441 -8.616 -26.938 1.00 35.23 C ATOM 993 O GLN A 61 -32.946 -9.068 -25.905 1.00 42.52 O ATOM 994 CB GLN A 61 -32.801 -9.653 -29.121 1.00 65.23 C ATOM 995 CG GLN A 61 -31.869 -10.837 -28.918 1.00 33.43 C ATOM 996 CD GLN A 61 -30.970 -11.085 -30.113 1.00 13.11 C ATOM 997 OE1 GLN A 61 -29.703 -10.709 -29.988 1.00 61.41 O flip ATOM 998 NE2 GLN A 61 -31.409 -11.608 -31.137 1.00 24.02 N flip ATOM 0 H GLN A 61 -35.076 -8.869 -29.655 1.00 64.33 H new ATOM 0 HA GLN A 61 -34.079 -10.534 -27.637 1.00 0.32 H new ATOM 0 HB2 GLN A 61 -33.267 -9.732 -30.103 1.00 65.23 H new ATOM 0 HB3 GLN A 61 -32.214 -8.735 -29.119 1.00 65.23 H new ATOM 0 HG2 GLN A 61 -31.254 -10.663 -28.035 1.00 33.43 H new ATOM 0 HG3 GLN A 61 -32.461 -11.731 -28.722 1.00 33.43 H new ATOM 0 HE21 GLN A 61 -32.390 -11.882 -31.190 1.00 24.02 H new ATOM 0 HE22 GLN A 61 -30.792 -11.768 -31.933 1.00 24.02 H new ATOM 1007 N PHE A 62 -33.613 -7.315 -27.148 1.00 54.23 N ATOM 1008 CA PHE A 62 -33.221 -6.322 -26.156 1.00 1.21 C ATOM 1009 C PHE A 62 -34.106 -6.410 -24.917 1.00 35.14 C ATOM 1010 O PHE A 62 -33.614 -6.485 -23.791 1.00 23.01 O ATOM 1011 CB PHE A 62 -33.299 -4.915 -26.753 1.00 10.40 C ATOM 1012 CG PHE A 62 -32.535 -3.887 -25.968 1.00 44.11 C ATOM 1013 CD1 PHE A 62 -33.091 -3.301 -24.843 1.00 52.11 C ATOM 1014 CD2 PHE A 62 -31.260 -3.508 -26.355 1.00 43.04 C ATOM 1015 CE1 PHE A 62 -32.390 -2.354 -24.120 1.00 53.20 C ATOM 1016 CE2 PHE A 62 -30.553 -2.563 -25.635 1.00 54.35 C ATOM 1017 CZ PHE A 62 -31.120 -1.986 -24.516 1.00 5.12 C ATOM 0 H PHE A 62 -34.022 -6.924 -27.997 1.00 54.23 H new ATOM 0 HA PHE A 62 -32.192 -6.528 -25.861 1.00 1.21 H new ATOM 0 HB2 PHE A 62 -32.916 -4.940 -27.773 1.00 10.40 H new ATOM 0 HB3 PHE A 62 -34.344 -4.612 -26.813 1.00 10.40 H new ATOM 0 HD1 PHE A 62 -34.083 -3.587 -24.527 1.00 52.11 H new ATOM 0 HD2 PHE A 62 -30.813 -3.956 -27.230 1.00 43.04 H new ATOM 0 HE1 PHE A 62 -32.836 -1.902 -23.246 1.00 53.20 H new ATOM 0 HE2 PHE A 62 -29.559 -2.277 -25.947 1.00 54.35 H new ATOM 0 HZ PHE A 62 -30.570 -1.248 -23.951 1.00 5.12 H new ATOM 1027 N VAL A 63 -35.419 -6.400 -25.132 1.00 43.43 N ATOM 1028 CA VAL A 63 -36.375 -6.480 -24.034 1.00 43.15 C ATOM 1029 C VAL A 63 -36.142 -7.729 -23.193 1.00 20.51 C ATOM 1030 O VAL A 63 -36.312 -7.710 -21.974 1.00 51.01 O ATOM 1031 CB VAL A 63 -37.825 -6.485 -24.553 1.00 13.41 C ATOM 1032 CG1 VAL A 63 -38.805 -6.604 -23.396 1.00 11.22 C ATOM 1033 CG2 VAL A 63 -38.102 -5.232 -25.371 1.00 74.21 C ATOM 0 H VAL A 63 -35.844 -6.337 -26.057 1.00 43.43 H new ATOM 0 HA VAL A 63 -36.222 -5.596 -23.415 1.00 43.15 H new ATOM 0 HB VAL A 63 -37.958 -7.351 -25.201 1.00 13.41 H new ATOM 0 HG11 VAL A 63 -39.825 -6.606 -23.781 1.00 11.22 H new ATOM 0 HG12 VAL A 63 -38.619 -7.533 -22.856 1.00 11.22 H new ATOM 0 HG13 VAL A 63 -38.674 -5.759 -22.720 1.00 11.22 H new ATOM 0 HG21 VAL A 63 -39.131 -5.252 -25.730 1.00 74.21 H new ATOM 0 HG22 VAL A 63 -37.952 -4.350 -24.748 1.00 74.21 H new ATOM 0 HG23 VAL A 63 -37.422 -5.195 -26.222 1.00 74.21 H new ATOM 1043 N TYR A 64 -35.753 -8.815 -23.852 1.00 33.00 N ATOM 1044 CA TYR A 64 -35.499 -10.076 -23.166 1.00 13.41 C ATOM 1045 C TYR A 64 -34.210 -10.004 -22.351 1.00 52.33 C ATOM 1046 O TYR A 64 -34.083 -10.646 -21.310 1.00 12.13 O ATOM 1047 CB TYR A 64 -35.414 -11.222 -24.175 1.00 31.35 C ATOM 1048 CG TYR A 64 -36.749 -11.864 -24.476 1.00 12.11 C ATOM 1049 CD1 TYR A 64 -37.552 -12.356 -23.455 1.00 52.11 C ATOM 1050 CD2 TYR A 64 -37.208 -11.976 -25.783 1.00 74.32 C ATOM 1051 CE1 TYR A 64 -38.773 -12.943 -23.726 1.00 73.42 C ATOM 1052 CE2 TYR A 64 -38.429 -12.561 -26.064 1.00 24.10 C ATOM 1053 CZ TYR A 64 -39.206 -13.044 -25.032 1.00 54.22 C ATOM 1054 OH TYR A 64 -40.422 -13.626 -25.306 1.00 71.22 O ATOM 0 H TYR A 64 -35.607 -8.847 -24.861 1.00 33.00 H new ATOM 0 HA TYR A 64 -36.329 -10.262 -22.484 1.00 13.41 H new ATOM 0 HB2 TYR A 64 -34.983 -10.846 -25.103 1.00 31.35 H new ATOM 0 HB3 TYR A 64 -34.733 -11.982 -23.792 1.00 31.35 H new ATOM 0 HD1 TYR A 64 -37.216 -12.278 -22.432 1.00 52.11 H new ATOM 0 HD2 TYR A 64 -36.601 -11.600 -26.593 1.00 74.32 H new ATOM 0 HE1 TYR A 64 -39.385 -13.321 -22.920 1.00 73.42 H new ATOM 0 HE2 TYR A 64 -38.772 -12.639 -27.085 1.00 24.10 H new ATOM 0 HH TYR A 64 -40.578 -13.617 -26.273 1.00 71.22 H new ATOM 1064 N VAL A 65 -33.256 -9.215 -22.836 1.00 40.33 N ATOM 1065 CA VAL A 65 -31.977 -9.056 -22.155 1.00 12.43 C ATOM 1066 C VAL A 65 -32.112 -8.143 -20.941 1.00 2.41 C ATOM 1067 O VAL A 65 -31.430 -8.329 -19.933 1.00 3.22 O ATOM 1068 CB VAL A 65 -30.905 -8.480 -23.100 1.00 0.23 C ATOM 1069 CG1 VAL A 65 -29.773 -7.850 -22.303 1.00 33.52 C ATOM 1070 CG2 VAL A 65 -30.377 -9.563 -24.028 1.00 32.21 C ATOM 0 H VAL A 65 -33.345 -8.676 -23.698 1.00 40.33 H new ATOM 0 HA VAL A 65 -31.666 -10.048 -21.828 1.00 12.43 H new ATOM 0 HB VAL A 65 -31.363 -7.702 -23.711 1.00 0.23 H new ATOM 0 HG11 VAL A 65 -29.026 -7.449 -22.987 1.00 33.52 H new ATOM 0 HG12 VAL A 65 -30.168 -7.044 -21.684 1.00 33.52 H new ATOM 0 HG13 VAL A 65 -29.313 -8.605 -21.665 1.00 33.52 H new ATOM 0 HG21 VAL A 65 -29.621 -9.139 -24.689 1.00 32.21 H new ATOM 0 HG22 VAL A 65 -29.934 -10.365 -23.437 1.00 32.21 H new ATOM 0 HG23 VAL A 65 -31.197 -9.963 -24.625 1.00 32.21 H new ATOM 1080 N ILE A 66 -32.995 -7.156 -21.045 1.00 13.20 N ATOM 1081 CA ILE A 66 -33.220 -6.215 -19.954 1.00 52.32 C ATOM 1082 C ILE A 66 -33.474 -6.946 -18.641 1.00 3.03 C ATOM 1083 O ILE A 66 -32.829 -6.668 -17.629 1.00 60.15 O ATOM 1084 CB ILE A 66 -34.412 -5.285 -20.251 1.00 25.24 C ATOM 1085 CG1 ILE A 66 -34.043 -4.280 -21.344 1.00 54.12 C ATOM 1086 CG2 ILE A 66 -34.847 -4.563 -18.985 1.00 3.33 C ATOM 1087 CD1 ILE A 66 -32.954 -3.313 -20.934 1.00 74.04 C ATOM 0 H ILE A 66 -33.566 -6.987 -21.873 1.00 13.20 H new ATOM 0 HA ILE A 66 -32.315 -5.615 -19.863 1.00 52.32 H new ATOM 0 HB ILE A 66 -35.246 -5.889 -20.607 1.00 25.24 H new ATOM 0 HG12 ILE A 66 -33.720 -4.824 -22.232 1.00 54.12 H new ATOM 0 HG13 ILE A 66 -34.933 -3.715 -21.623 1.00 54.12 H new ATOM 0 HG21 ILE A 66 -35.690 -3.910 -19.210 1.00 3.33 H new ATOM 0 HG22 ILE A 66 -35.145 -5.294 -18.233 1.00 3.33 H new ATOM 0 HG23 ILE A 66 -34.018 -3.967 -18.603 1.00 3.33 H new ATOM 0 HD11 ILE A 66 -32.744 -2.631 -21.758 1.00 74.04 H new ATOM 0 HD12 ILE A 66 -33.282 -2.743 -20.065 1.00 74.04 H new ATOM 0 HD13 ILE A 66 -32.050 -3.868 -20.684 1.00 74.04 H new ATOM 1099 N ARG A 67 -34.417 -7.882 -18.664 1.00 72.10 N ATOM 1100 CA ARG A 67 -34.756 -8.654 -17.474 1.00 70.22 C ATOM 1101 C ARG A 67 -33.503 -9.242 -16.832 1.00 0.33 C ATOM 1102 O ARG A 67 -33.406 -9.338 -15.609 1.00 11.42 O ATOM 1103 CB ARG A 67 -35.734 -9.775 -17.830 1.00 31.43 C ATOM 1104 CG ARG A 67 -37.181 -9.450 -17.497 1.00 62.53 C ATOM 1105 CD ARG A 67 -37.964 -10.704 -17.137 1.00 51.45 C ATOM 1106 NE ARG A 67 -38.208 -11.550 -18.301 1.00 74.05 N ATOM 1107 CZ ARG A 67 -39.089 -11.256 -19.252 1.00 45.13 C ATOM 1108 NH1 ARG A 67 -39.804 -10.142 -19.176 1.00 74.23 N ATOM 1109 NH2 ARG A 67 -39.254 -12.076 -20.281 1.00 72.14 N ATOM 0 H ARG A 67 -34.960 -8.124 -19.493 1.00 72.10 H new ATOM 0 HA ARG A 67 -35.229 -7.982 -16.758 1.00 70.22 H new ATOM 0 HB2 ARG A 67 -35.655 -9.990 -18.896 1.00 31.43 H new ATOM 0 HB3 ARG A 67 -35.443 -10.682 -17.300 1.00 31.43 H new ATOM 0 HG2 ARG A 67 -37.215 -8.747 -16.665 1.00 62.53 H new ATOM 0 HG3 ARG A 67 -37.650 -8.959 -18.349 1.00 62.53 H new ATOM 0 HD2 ARG A 67 -37.415 -11.271 -16.386 1.00 51.45 H new ATOM 0 HD3 ARG A 67 -38.916 -10.420 -16.689 1.00 51.45 H new ATOM 0 HE ARG A 67 -37.673 -12.414 -18.390 1.00 74.05 H new ATOM 0 HH11 ARG A 67 -39.679 -9.508 -18.387 1.00 74.23 H new ATOM 0 HH12 ARG A 67 -40.479 -9.919 -19.907 1.00 74.23 H new ATOM 0 HH21 ARG A 67 -38.705 -12.933 -20.343 1.00 72.14 H new ATOM 0 HH22 ARG A 67 -39.930 -11.850 -21.010 1.00 72.14 H new ATOM 1123 N LYS A 68 -32.546 -9.633 -17.665 1.00 45.02 N ATOM 1124 CA LYS A 68 -31.298 -10.211 -17.181 1.00 21.02 C ATOM 1125 C LYS A 68 -30.347 -9.122 -16.695 1.00 1.13 C ATOM 1126 O LYS A 68 -29.575 -9.331 -15.758 1.00 61.40 O ATOM 1127 CB LYS A 68 -30.628 -11.031 -18.286 1.00 10.20 C ATOM 1128 CG LYS A 68 -29.374 -11.758 -17.830 1.00 12.13 C ATOM 1129 CD LYS A 68 -29.702 -13.120 -17.243 1.00 74.02 C ATOM 1130 CE LYS A 68 -29.835 -14.177 -18.330 1.00 14.14 C ATOM 1131 NZ LYS A 68 -30.332 -15.472 -17.786 1.00 13.51 N ATOM 0 H LYS A 68 -32.610 -9.560 -18.680 1.00 45.02 H new ATOM 0 HA LYS A 68 -31.532 -10.866 -16.342 1.00 21.02 H new ATOM 0 HB2 LYS A 68 -31.342 -11.761 -18.669 1.00 10.20 H new ATOM 0 HB3 LYS A 68 -30.373 -10.369 -19.114 1.00 10.20 H new ATOM 0 HG2 LYS A 68 -28.695 -11.878 -18.674 1.00 12.13 H new ATOM 0 HG3 LYS A 68 -28.853 -11.156 -17.085 1.00 12.13 H new ATOM 0 HD2 LYS A 68 -28.920 -13.413 -16.542 1.00 74.02 H new ATOM 0 HD3 LYS A 68 -30.631 -13.059 -16.677 1.00 74.02 H new ATOM 0 HE2 LYS A 68 -30.518 -13.821 -19.101 1.00 14.14 H new ATOM 0 HE3 LYS A 68 -28.867 -14.331 -18.807 1.00 14.14 H new ATOM 0 HZ1 LYS A 68 -30.409 -16.166 -18.557 1.00 13.51 H new ATOM 0 HZ2 LYS A 68 -29.668 -15.825 -17.068 1.00 13.51 H new ATOM 0 HZ3 LYS A 68 -31.267 -15.331 -17.353 1.00 13.51 H new ATOM 1145 N ARG A 69 -30.409 -7.959 -17.335 1.00 11.31 N ATOM 1146 CA ARG A 69 -29.553 -6.837 -16.967 1.00 33.34 C ATOM 1147 C ARG A 69 -29.975 -6.250 -15.623 1.00 35.01 C ATOM 1148 O ARG A 69 -29.137 -5.973 -14.765 1.00 0.22 O ATOM 1149 CB ARG A 69 -29.602 -5.755 -18.047 1.00 35.11 C ATOM 1150 CG ARG A 69 -28.643 -6.001 -19.199 1.00 62.53 C ATOM 1151 CD ARG A 69 -27.274 -5.400 -18.923 1.00 51.32 C ATOM 1152 NE ARG A 69 -26.480 -6.236 -18.027 1.00 43.02 N ATOM 1153 CZ ARG A 69 -25.865 -7.348 -18.413 1.00 60.40 C ATOM 1154 NH1 ARG A 69 -25.952 -7.756 -19.671 1.00 41.53 N ATOM 1155 NH2 ARG A 69 -25.160 -8.055 -17.538 1.00 74.25 N ATOM 0 H ARG A 69 -31.043 -7.769 -18.111 1.00 11.31 H new ATOM 0 HA ARG A 69 -28.531 -7.205 -16.878 1.00 33.34 H new ATOM 0 HB2 ARG A 69 -30.617 -5.690 -18.438 1.00 35.11 H new ATOM 0 HB3 ARG A 69 -29.372 -4.791 -17.594 1.00 35.11 H new ATOM 0 HG2 ARG A 69 -28.543 -7.073 -19.368 1.00 62.53 H new ATOM 0 HG3 ARG A 69 -29.053 -5.571 -20.113 1.00 62.53 H new ATOM 0 HD2 ARG A 69 -26.740 -5.268 -19.864 1.00 51.32 H new ATOM 0 HD3 ARG A 69 -27.395 -4.410 -18.483 1.00 51.32 H new ATOM 0 HE ARG A 69 -26.393 -5.950 -17.052 1.00 43.02 H new ATOM 0 HH11 ARG A 69 -26.493 -7.215 -20.346 1.00 41.53 H new ATOM 0 HH12 ARG A 69 -25.478 -8.611 -19.964 1.00 41.53 H new ATOM 0 HH21 ARG A 69 -25.091 -7.744 -16.569 1.00 74.25 H new ATOM 0 HH22 ARG A 69 -24.688 -8.909 -17.835 1.00 74.25 H new ATOM 1169 N ILE A 70 -31.279 -6.063 -15.448 1.00 43.44 N ATOM 1170 CA ILE A 70 -31.812 -5.509 -14.210 1.00 11.23 C ATOM 1171 C ILE A 70 -32.097 -6.609 -13.194 1.00 60.30 C ATOM 1172 O ILE A 70 -32.549 -6.339 -12.081 1.00 44.24 O ATOM 1173 CB ILE A 70 -33.104 -4.710 -14.460 1.00 51.32 C ATOM 1174 CG1 ILE A 70 -32.989 -3.906 -15.758 1.00 34.14 C ATOM 1175 CG2 ILE A 70 -33.394 -3.789 -13.285 1.00 21.44 C ATOM 1176 CD1 ILE A 70 -34.140 -2.949 -15.979 1.00 41.31 C ATOM 0 H ILE A 70 -31.986 -6.287 -16.148 1.00 43.44 H new ATOM 0 HA ILE A 70 -31.051 -4.838 -13.812 1.00 11.23 H new ATOM 0 HB ILE A 70 -33.933 -5.411 -14.560 1.00 51.32 H new ATOM 0 HG12 ILE A 70 -32.056 -3.343 -15.746 1.00 34.14 H new ATOM 0 HG13 ILE A 70 -32.934 -4.596 -16.600 1.00 34.14 H new ATOM 0 HG21 ILE A 70 -34.311 -3.231 -13.477 1.00 21.44 H new ATOM 0 HG22 ILE A 70 -33.514 -4.382 -12.379 1.00 21.44 H new ATOM 0 HG23 ILE A 70 -32.566 -3.092 -13.156 1.00 21.44 H new ATOM 0 HD11 ILE A 70 -33.993 -2.413 -16.917 1.00 41.31 H new ATOM 0 HD12 ILE A 70 -35.075 -3.508 -16.023 1.00 41.31 H new ATOM 0 HD13 ILE A 70 -34.183 -2.235 -15.156 1.00 41.31 H new ATOM 1188 N MET A 71 -31.828 -7.851 -13.583 1.00 60.22 N ATOM 1189 CA MET A 71 -32.052 -8.993 -12.705 1.00 60.30 C ATOM 1190 C MET A 71 -33.476 -8.986 -12.156 1.00 50.23 C ATOM 1191 O MET A 71 -33.739 -9.514 -11.075 1.00 62.44 O ATOM 1192 CB MET A 71 -31.049 -8.981 -11.550 1.00 63.24 C ATOM 1193 CG MET A 71 -29.644 -8.582 -11.971 1.00 4.31 C ATOM 1194 SD MET A 71 -28.443 -8.759 -10.636 1.00 53.24 S ATOM 1195 CE MET A 71 -27.046 -9.439 -11.527 1.00 45.55 C ATOM 0 H MET A 71 -31.454 -8.092 -14.501 1.00 60.22 H new ATOM 0 HA MET A 71 -31.911 -9.902 -13.290 1.00 60.30 H new ATOM 0 HB2 MET A 71 -31.399 -8.291 -10.782 1.00 63.24 H new ATOM 0 HB3 MET A 71 -31.016 -9.972 -11.097 1.00 63.24 H new ATOM 0 HG2 MET A 71 -29.334 -9.195 -12.817 1.00 4.31 H new ATOM 0 HG3 MET A 71 -29.651 -7.547 -12.313 1.00 4.31 H new ATOM 0 HE1 MET A 71 -26.220 -9.605 -10.836 1.00 45.55 H new ATOM 0 HE2 MET A 71 -27.332 -10.386 -11.984 1.00 45.55 H new ATOM 0 HE3 MET A 71 -26.735 -8.740 -12.304 1.00 45.55 H new ATOM 1205 N LEU A 72 -34.391 -8.383 -12.908 1.00 22.13 N ATOM 1206 CA LEU A 72 -35.789 -8.307 -12.497 1.00 1.15 C ATOM 1207 C LEU A 72 -36.420 -9.694 -12.450 1.00 64.35 C ATOM 1208 O LEU A 72 -36.194 -10.535 -13.321 1.00 2.03 O ATOM 1209 CB LEU A 72 -36.574 -7.409 -13.454 1.00 51.43 C ATOM 1210 CG LEU A 72 -38.080 -7.319 -13.207 1.00 50.22 C ATOM 1211 CD1 LEU A 72 -38.411 -6.092 -12.371 1.00 53.23 C ATOM 1212 CD2 LEU A 72 -38.836 -7.286 -14.527 1.00 70.23 C ATOM 0 H LEU A 72 -34.190 -7.940 -13.805 1.00 22.13 H new ATOM 0 HA LEU A 72 -35.824 -7.879 -11.495 1.00 1.15 H new ATOM 0 HB2 LEU A 72 -36.157 -6.403 -13.401 1.00 51.43 H new ATOM 0 HB3 LEU A 72 -36.414 -7.768 -14.471 1.00 51.43 H new ATOM 0 HG LEU A 72 -38.392 -8.205 -12.655 1.00 50.22 H new ATOM 0 HD11 LEU A 72 -39.487 -6.044 -12.205 1.00 53.23 H new ATOM 0 HD12 LEU A 72 -37.899 -6.157 -11.411 1.00 53.23 H new ATOM 0 HD13 LEU A 72 -38.085 -5.195 -12.897 1.00 53.23 H new ATOM 0 HD21 LEU A 72 -39.906 -7.222 -14.332 1.00 70.23 H new ATOM 0 HD22 LEU A 72 -38.520 -6.418 -15.106 1.00 70.23 H new ATOM 0 HD23 LEU A 72 -38.624 -8.195 -15.091 1.00 70.23 H new ATOM 1224 N PRO A 73 -37.231 -9.941 -11.411 1.00 22.41 N ATOM 1225 CA PRO A 73 -37.914 -11.226 -11.228 1.00 22.14 C ATOM 1226 C PRO A 73 -39.009 -11.453 -12.264 1.00 74.11 C ATOM 1227 O PRO A 73 -39.447 -10.531 -12.952 1.00 71.21 O ATOM 1228 CB PRO A 73 -38.519 -11.109 -9.827 1.00 25.33 C ATOM 1229 CG PRO A 73 -38.683 -9.645 -9.606 1.00 41.10 C ATOM 1230 CD PRO A 73 -37.545 -8.986 -10.336 1.00 52.23 C ATOM 0 HA PRO A 73 -37.234 -12.070 -11.345 1.00 22.14 H new ATOM 0 HB2 PRO A 73 -39.475 -11.628 -9.764 1.00 25.33 H new ATOM 0 HB3 PRO A 73 -37.866 -11.552 -9.075 1.00 25.33 H new ATOM 0 HG2 PRO A 73 -39.644 -9.298 -9.986 1.00 41.10 H new ATOM 0 HG3 PRO A 73 -38.656 -9.405 -8.543 1.00 41.10 H new ATOM 0 HD2 PRO A 73 -37.833 -8.013 -10.734 1.00 52.23 H new ATOM 0 HD3 PRO A 73 -36.689 -8.822 -9.681 1.00 52.23 H new ATOM 1238 N PRO A 74 -39.465 -12.709 -12.379 1.00 31.53 N ATOM 1239 CA PRO A 74 -40.516 -13.086 -13.328 1.00 31.42 C ATOM 1240 C PRO A 74 -41.879 -12.525 -12.938 1.00 10.31 C ATOM 1241 O PRO A 74 -42.763 -12.376 -13.780 1.00 52.31 O ATOM 1242 CB PRO A 74 -40.528 -14.616 -13.255 1.00 65.13 C ATOM 1243 CG PRO A 74 -39.992 -14.935 -11.903 1.00 0.14 C ATOM 1244 CD PRO A 74 -38.989 -13.858 -11.590 1.00 24.51 C ATOM 0 HA PRO A 74 -40.322 -12.694 -14.326 1.00 31.42 H new ATOM 0 HB2 PRO A 74 -41.536 -15.011 -13.384 1.00 65.13 H new ATOM 0 HB3 PRO A 74 -39.911 -15.055 -14.039 1.00 65.13 H new ATOM 0 HG2 PRO A 74 -40.790 -14.952 -11.161 1.00 0.14 H new ATOM 0 HG3 PRO A 74 -39.524 -15.919 -11.891 1.00 0.14 H new ATOM 0 HD2 PRO A 74 -38.963 -13.631 -10.524 1.00 24.51 H new ATOM 0 HD3 PRO A 74 -37.980 -14.153 -11.878 1.00 24.51 H new ATOM 1252 N GLU A 75 -42.040 -12.213 -11.655 1.00 72.23 N ATOM 1253 CA GLU A 75 -43.297 -11.667 -11.154 1.00 44.04 C ATOM 1254 C GLU A 75 -43.737 -10.466 -11.986 1.00 12.02 C ATOM 1255 O GLU A 75 -44.931 -10.198 -12.127 1.00 65.12 O ATOM 1256 CB GLU A 75 -43.152 -11.260 -9.687 1.00 33.53 C ATOM 1257 CG GLU A 75 -42.129 -10.161 -9.458 1.00 63.41 C ATOM 1258 CD GLU A 75 -42.156 -9.624 -8.040 1.00 74.24 C ATOM 1259 OE1 GLU A 75 -43.260 -9.317 -7.543 1.00 52.24 O ATOM 1260 OE2 GLU A 75 -41.074 -9.511 -7.428 1.00 42.30 O ATOM 0 H GLU A 75 -41.317 -12.329 -10.945 1.00 72.23 H new ATOM 0 HA GLU A 75 -44.059 -12.442 -11.235 1.00 44.04 H new ATOM 0 HB2 GLU A 75 -44.120 -10.927 -9.314 1.00 33.53 H new ATOM 0 HB3 GLU A 75 -42.869 -12.135 -9.102 1.00 33.53 H new ATOM 0 HG2 GLU A 75 -41.133 -10.546 -9.678 1.00 63.41 H new ATOM 0 HG3 GLU A 75 -42.316 -9.344 -10.155 1.00 63.41 H new ATOM 1267 N LYS A 76 -42.765 -9.745 -12.534 1.00 61.11 N ATOM 1268 CA LYS A 76 -43.050 -8.573 -13.353 1.00 12.32 C ATOM 1269 C LYS A 76 -42.272 -8.621 -14.663 1.00 22.20 C ATOM 1270 O LYS A 76 -41.442 -9.506 -14.871 1.00 31.33 O ATOM 1271 CB LYS A 76 -42.703 -7.294 -12.587 1.00 42.01 C ATOM 1272 CG LYS A 76 -43.562 -7.069 -11.355 1.00 41.44 C ATOM 1273 CD LYS A 76 -43.762 -5.589 -11.078 1.00 22.00 C ATOM 1274 CE LYS A 76 -44.923 -5.023 -11.881 1.00 14.11 C ATOM 1275 NZ LYS A 76 -44.484 -4.517 -13.211 1.00 12.11 N ATOM 0 H LYS A 76 -41.772 -9.952 -12.426 1.00 61.11 H new ATOM 0 HA LYS A 76 -44.115 -8.573 -13.585 1.00 12.32 H new ATOM 0 HB2 LYS A 76 -41.656 -7.333 -12.287 1.00 42.01 H new ATOM 0 HB3 LYS A 76 -42.811 -6.440 -13.255 1.00 42.01 H new ATOM 0 HG2 LYS A 76 -44.531 -7.548 -11.493 1.00 41.44 H new ATOM 0 HG3 LYS A 76 -43.093 -7.542 -10.492 1.00 41.44 H new ATOM 0 HD2 LYS A 76 -43.947 -5.439 -10.014 1.00 22.00 H new ATOM 0 HD3 LYS A 76 -42.850 -5.045 -11.323 1.00 22.00 H new ATOM 0 HE2 LYS A 76 -45.680 -5.795 -12.018 1.00 14.11 H new ATOM 0 HE3 LYS A 76 -45.391 -4.213 -11.321 1.00 14.11 H new ATOM 0 HZ1 LYS A 76 -45.110 -3.743 -13.512 1.00 12.11 H new ATOM 0 HZ2 LYS A 76 -43.507 -4.166 -13.144 1.00 12.11 H new ATOM 0 HZ3 LYS A 76 -44.527 -5.288 -13.907 1.00 12.11 H new ATOM 1289 N ALA A 77 -42.543 -7.663 -15.544 1.00 55.01 N ATOM 1290 CA ALA A 77 -41.865 -7.595 -16.832 1.00 61.12 C ATOM 1291 C ALA A 77 -41.463 -6.163 -17.166 1.00 53.45 C ATOM 1292 O ALA A 77 -42.001 -5.210 -16.601 1.00 42.12 O ATOM 1293 CB ALA A 77 -42.755 -8.165 -17.927 1.00 40.24 C ATOM 0 H ALA A 77 -43.228 -6.923 -15.389 1.00 55.01 H new ATOM 0 HA ALA A 77 -40.956 -8.194 -16.769 1.00 61.12 H new ATOM 0 HB1 ALA A 77 -42.236 -8.108 -18.884 1.00 40.24 H new ATOM 0 HB2 ALA A 77 -42.988 -9.206 -17.702 1.00 40.24 H new ATOM 0 HB3 ALA A 77 -43.679 -7.590 -17.981 1.00 40.24 H new ATOM 1299 N ILE A 78 -40.515 -6.019 -18.087 1.00 13.24 N ATOM 1300 CA ILE A 78 -40.043 -4.701 -18.495 1.00 25.40 C ATOM 1301 C ILE A 78 -39.860 -4.628 -20.007 1.00 22.23 C ATOM 1302 O ILE A 78 -39.505 -5.616 -20.650 1.00 35.45 O ATOM 1303 CB ILE A 78 -38.709 -4.345 -17.811 1.00 15.33 C ATOM 1304 CG1 ILE A 78 -38.872 -4.363 -16.289 1.00 45.22 C ATOM 1305 CG2 ILE A 78 -38.220 -2.984 -18.280 1.00 14.54 C ATOM 1306 CD1 ILE A 78 -37.557 -4.413 -15.542 1.00 54.32 C ATOM 0 H ILE A 78 -40.060 -6.797 -18.564 1.00 13.24 H new ATOM 0 HA ILE A 78 -40.803 -3.983 -18.187 1.00 25.40 H new ATOM 0 HB ILE A 78 -37.965 -5.092 -18.088 1.00 15.33 H new ATOM 0 HG12 ILE A 78 -39.423 -3.475 -15.980 1.00 45.22 H new ATOM 0 HG13 ILE A 78 -39.475 -5.226 -16.006 1.00 45.22 H new ATOM 0 HG21 ILE A 78 -37.277 -2.747 -17.788 1.00 14.54 H new ATOM 0 HG22 ILE A 78 -38.071 -3.003 -19.360 1.00 14.54 H new ATOM 0 HG23 ILE A 78 -38.961 -2.225 -18.029 1.00 14.54 H new ATOM 0 HD11 ILE A 78 -37.748 -4.423 -14.469 1.00 54.32 H new ATOM 0 HD12 ILE A 78 -37.013 -5.315 -15.822 1.00 54.32 H new ATOM 0 HD13 ILE A 78 -36.961 -3.536 -15.796 1.00 54.32 H new ATOM 1318 N PHE A 79 -40.103 -3.449 -20.570 1.00 21.21 N ATOM 1319 CA PHE A 79 -39.965 -3.245 -22.007 1.00 22.22 C ATOM 1320 C PHE A 79 -39.345 -1.883 -22.306 1.00 62.44 C ATOM 1321 O PHE A 79 -39.534 -0.925 -21.556 1.00 4.30 O ATOM 1322 CB PHE A 79 -41.328 -3.358 -22.693 1.00 25.31 C ATOM 1323 CG PHE A 79 -42.462 -2.826 -21.864 1.00 64.54 C ATOM 1324 CD1 PHE A 79 -43.108 -3.639 -20.948 1.00 13.43 C ATOM 1325 CD2 PHE A 79 -42.882 -1.513 -22.004 1.00 30.10 C ATOM 1326 CE1 PHE A 79 -44.152 -3.151 -20.184 1.00 34.54 C ATOM 1327 CE2 PHE A 79 -43.925 -1.020 -21.243 1.00 34.24 C ATOM 1328 CZ PHE A 79 -44.561 -1.841 -20.333 1.00 13.54 C ATOM 0 H PHE A 79 -40.397 -2.620 -20.053 1.00 21.21 H new ATOM 0 HA PHE A 79 -39.304 -4.019 -22.396 1.00 22.22 H new ATOM 0 HB2 PHE A 79 -41.296 -2.818 -23.639 1.00 25.31 H new ATOM 0 HB3 PHE A 79 -41.521 -4.404 -22.930 1.00 25.31 H new ATOM 0 HD1 PHE A 79 -42.793 -4.665 -20.829 1.00 13.43 H new ATOM 0 HD2 PHE A 79 -42.389 -0.868 -22.716 1.00 30.10 H new ATOM 0 HE1 PHE A 79 -44.647 -3.794 -19.471 1.00 34.54 H new ATOM 0 HE2 PHE A 79 -44.242 0.006 -21.360 1.00 34.24 H new ATOM 0 HZ PHE A 79 -45.378 -1.459 -19.738 1.00 13.54 H new ATOM 1338 N ILE A 80 -38.603 -1.806 -23.405 1.00 62.43 N ATOM 1339 CA ILE A 80 -37.955 -0.563 -23.804 1.00 72.43 C ATOM 1340 C ILE A 80 -38.632 0.041 -25.030 1.00 45.14 C ATOM 1341 O ILE A 80 -39.022 -0.674 -25.953 1.00 32.44 O ATOM 1342 CB ILE A 80 -36.461 -0.780 -24.111 1.00 14.51 C ATOM 1343 CG1 ILE A 80 -36.295 -1.630 -25.372 1.00 45.22 C ATOM 1344 CG2 ILE A 80 -35.768 -1.437 -22.927 1.00 61.43 C ATOM 1345 CD1 ILE A 80 -36.054 -0.813 -26.622 1.00 64.34 C ATOM 0 H ILE A 80 -38.435 -2.590 -24.035 1.00 62.43 H new ATOM 0 HA ILE A 80 -38.049 0.125 -22.964 1.00 72.43 H new ATOM 0 HB ILE A 80 -35.996 0.190 -24.287 1.00 14.51 H new ATOM 0 HG12 ILE A 80 -35.461 -2.317 -25.230 1.00 45.22 H new ATOM 0 HG13 ILE A 80 -37.189 -2.238 -25.511 1.00 45.22 H new ATOM 0 HG21 ILE A 80 -34.713 -1.584 -23.159 1.00 61.43 H new ATOM 0 HG22 ILE A 80 -35.861 -0.797 -22.050 1.00 61.43 H new ATOM 0 HG23 ILE A 80 -36.233 -2.402 -22.723 1.00 61.43 H new ATOM 0 HD11 ILE A 80 -35.946 -1.480 -27.477 1.00 64.34 H new ATOM 0 HD12 ILE A 80 -36.899 -0.144 -26.788 1.00 64.34 H new ATOM 0 HD13 ILE A 80 -35.144 -0.225 -26.503 1.00 64.34 H new ATOM 1357 N PHE A 81 -38.765 1.363 -25.035 1.00 25.54 N ATOM 1358 CA PHE A 81 -39.393 2.065 -26.148 1.00 31.31 C ATOM 1359 C PHE A 81 -38.589 3.304 -26.533 1.00 73.24 C ATOM 1360 O PHE A 81 -37.861 3.864 -25.714 1.00 44.21 O ATOM 1361 CB PHE A 81 -40.825 2.465 -25.783 1.00 64.32 C ATOM 1362 CG PHE A 81 -40.927 3.206 -24.481 1.00 44.43 C ATOM 1363 CD1 PHE A 81 -40.977 2.520 -23.280 1.00 34.33 C ATOM 1364 CD2 PHE A 81 -40.972 4.591 -24.461 1.00 10.43 C ATOM 1365 CE1 PHE A 81 -41.073 3.201 -22.081 1.00 24.12 C ATOM 1366 CE2 PHE A 81 -41.066 5.277 -23.264 1.00 0.40 C ATOM 1367 CZ PHE A 81 -41.115 4.581 -22.073 1.00 11.30 C ATOM 0 H PHE A 81 -38.446 1.970 -24.280 1.00 25.54 H new ATOM 0 HA PHE A 81 -39.418 1.390 -27.003 1.00 31.31 H new ATOM 0 HB2 PHE A 81 -41.234 3.087 -26.579 1.00 64.32 H new ATOM 0 HB3 PHE A 81 -41.442 1.568 -25.731 1.00 64.32 H new ATOM 0 HD1 PHE A 81 -40.941 1.441 -23.280 1.00 34.33 H new ATOM 0 HD2 PHE A 81 -40.933 5.140 -25.390 1.00 10.43 H new ATOM 0 HE1 PHE A 81 -41.115 2.654 -21.151 1.00 24.12 H new ATOM 0 HE2 PHE A 81 -41.101 6.356 -23.261 1.00 0.40 H new ATOM 0 HZ PHE A 81 -41.186 5.115 -21.137 1.00 11.30 H new ATOM 1377 N VAL A 82 -38.728 3.724 -27.786 1.00 42.43 N ATOM 1378 CA VAL A 82 -38.016 4.897 -28.282 1.00 1.44 C ATOM 1379 C VAL A 82 -38.983 6.030 -28.608 1.00 33.24 C ATOM 1380 O VAL A 82 -39.941 5.845 -29.357 1.00 21.34 O ATOM 1381 CB VAL A 82 -37.191 4.563 -29.538 1.00 44.21 C ATOM 1382 CG1 VAL A 82 -38.075 3.938 -30.607 1.00 23.00 C ATOM 1383 CG2 VAL A 82 -36.500 5.810 -30.068 1.00 53.54 C ATOM 0 H VAL A 82 -39.326 3.270 -28.476 1.00 42.43 H new ATOM 0 HA VAL A 82 -37.341 5.217 -27.488 1.00 1.44 H new ATOM 0 HB VAL A 82 -36.424 3.838 -29.266 1.00 44.21 H new ATOM 0 HG11 VAL A 82 -37.475 3.709 -31.487 1.00 23.00 H new ATOM 0 HG12 VAL A 82 -38.519 3.020 -30.221 1.00 23.00 H new ATOM 0 HG13 VAL A 82 -38.866 4.637 -30.879 1.00 23.00 H new ATOM 0 HG21 VAL A 82 -35.921 5.556 -30.956 1.00 53.54 H new ATOM 0 HG22 VAL A 82 -37.249 6.559 -30.325 1.00 53.54 H new ATOM 0 HG23 VAL A 82 -35.834 6.210 -29.303 1.00 53.54 H new ATOM 1393 N ASN A 83 -38.725 7.203 -28.040 1.00 4.51 N ATOM 1394 CA ASN A 83 -39.571 8.367 -28.270 1.00 55.12 C ATOM 1395 C ASN A 83 -41.031 8.046 -27.962 1.00 40.50 C ATOM 1396 O ASN A 83 -41.931 8.404 -28.723 1.00 64.24 O ATOM 1397 CB ASN A 83 -39.437 8.844 -29.717 1.00 51.24 C ATOM 1398 CG ASN A 83 -38.068 9.425 -30.010 1.00 64.04 C ATOM 1399 OD1 ASN A 83 -37.473 9.008 -31.122 1.00 12.12 O flip ATOM 1400 ND2 ASN A 83 -37.550 10.239 -29.245 1.00 52.24 N flip ATOM 0 H ASN A 83 -37.936 7.372 -27.416 1.00 4.51 H new ATOM 0 HA ASN A 83 -39.242 9.162 -27.601 1.00 55.12 H new ATOM 0 HB2 ASN A 83 -39.626 8.008 -30.391 1.00 51.24 H new ATOM 0 HB3 ASN A 83 -40.199 9.596 -29.921 1.00 51.24 H new ATOM 0 HD21 ASN A 83 -38.043 10.532 -28.401 1.00 52.24 H new ATOM 0 HD22 ASN A 83 -36.628 10.621 -29.455 1.00 52.24 H new ATOM 1407 N ASP A 84 -41.259 7.373 -26.840 1.00 2.02 N ATOM 1408 CA ASP A 84 -42.610 7.005 -26.430 1.00 2.43 C ATOM 1409 C ASP A 84 -43.238 6.038 -27.428 1.00 44.32 C ATOM 1410 O ASP A 84 -44.459 5.895 -27.488 1.00 13.21 O ATOM 1411 CB ASP A 84 -43.481 8.254 -26.293 1.00 13.52 C ATOM 1412 CG ASP A 84 -44.754 7.989 -25.513 1.00 53.45 C ATOM 1413 OD1 ASP A 84 -44.727 7.134 -24.604 1.00 2.12 O ATOM 1414 OD2 ASP A 84 -45.779 8.638 -25.812 1.00 4.31 O ATOM 0 H ASP A 84 -40.526 7.071 -26.198 1.00 2.02 H new ATOM 0 HA ASP A 84 -42.546 6.507 -25.462 1.00 2.43 H new ATOM 0 HB2 ASP A 84 -42.910 9.039 -25.796 1.00 13.52 H new ATOM 0 HB3 ASP A 84 -43.737 8.626 -27.285 1.00 13.52 H new ATOM 1419 N THR A 85 -42.393 5.377 -28.214 1.00 74.05 N ATOM 1420 CA THR A 85 -42.865 4.426 -29.213 1.00 54.30 C ATOM 1421 C THR A 85 -42.329 3.026 -28.935 1.00 41.13 C ATOM 1422 O THR A 85 -41.119 2.824 -28.827 1.00 2.05 O ATOM 1423 CB THR A 85 -42.448 4.850 -30.634 1.00 15.21 C ATOM 1424 OG1 THR A 85 -42.133 6.247 -30.656 1.00 11.42 O ATOM 1425 CG2 THR A 85 -43.559 4.561 -31.632 1.00 54.12 C ATOM 0 H THR A 85 -41.379 5.483 -28.178 1.00 74.05 H new ATOM 0 HA THR A 85 -43.953 4.415 -29.150 1.00 54.30 H new ATOM 0 HB THR A 85 -41.567 4.274 -30.917 1.00 15.21 H new ATOM 0 HG1 THR A 85 -41.239 6.387 -30.280 1.00 11.42 H new ATOM 0 HG21 THR A 85 -43.242 4.869 -32.628 1.00 54.12 H new ATOM 0 HG22 THR A 85 -43.777 3.493 -31.634 1.00 54.12 H new ATOM 0 HG23 THR A 85 -44.455 5.114 -31.349 1.00 54.12 H new ATOM 1433 N LEU A 86 -43.235 2.062 -28.823 1.00 13.13 N ATOM 1434 CA LEU A 86 -42.853 0.680 -28.558 1.00 73.30 C ATOM 1435 C LEU A 86 -43.070 -0.191 -29.792 1.00 54.40 C ATOM 1436 O LEU A 86 -44.138 -0.768 -29.994 1.00 63.43 O ATOM 1437 CB LEU A 86 -43.656 0.124 -27.380 1.00 52.22 C ATOM 1438 CG LEU A 86 -43.155 -1.194 -26.789 1.00 54.02 C ATOM 1439 CD1 LEU A 86 -42.037 -0.939 -25.789 1.00 74.44 C ATOM 1440 CD2 LEU A 86 -44.298 -1.952 -26.131 1.00 73.00 C ATOM 0 H LEU A 86 -44.240 2.212 -28.912 1.00 13.13 H new ATOM 0 HA LEU A 86 -41.793 0.664 -28.306 1.00 73.30 H new ATOM 0 HB2 LEU A 86 -43.667 0.873 -26.588 1.00 52.22 H new ATOM 0 HB3 LEU A 86 -44.688 -0.015 -27.703 1.00 52.22 H new ATOM 0 HG LEU A 86 -42.758 -1.806 -27.599 1.00 54.02 H new ATOM 0 HD11 LEU A 86 -41.693 -1.888 -25.378 1.00 74.44 H new ATOM 0 HD12 LEU A 86 -41.208 -0.438 -26.290 1.00 74.44 H new ATOM 0 HD13 LEU A 86 -42.408 -0.308 -24.982 1.00 74.44 H new ATOM 0 HD21 LEU A 86 -43.923 -2.887 -25.716 1.00 73.00 H new ATOM 0 HD22 LEU A 86 -44.724 -1.346 -25.332 1.00 73.00 H new ATOM 0 HD23 LEU A 86 -45.067 -2.167 -26.873 1.00 73.00 H new ATOM 1452 N PRO A 87 -42.032 -0.289 -30.636 1.00 73.50 N ATOM 1453 CA PRO A 87 -42.084 -1.090 -31.863 1.00 61.00 C ATOM 1454 C PRO A 87 -42.121 -2.587 -31.577 1.00 65.32 C ATOM 1455 O PRO A 87 -41.886 -3.036 -30.455 1.00 21.24 O ATOM 1456 CB PRO A 87 -40.787 -0.716 -32.586 1.00 53.30 C ATOM 1457 CG PRO A 87 -39.863 -0.276 -31.503 1.00 33.01 C ATOM 1458 CD PRO A 87 -40.729 0.371 -30.457 1.00 54.43 C ATOM 0 HA PRO A 87 -42.985 -0.889 -32.443 1.00 61.00 H new ATOM 0 HB2 PRO A 87 -40.379 -1.566 -33.133 1.00 53.30 H new ATOM 0 HB3 PRO A 87 -40.954 0.080 -33.312 1.00 53.30 H new ATOM 0 HG2 PRO A 87 -39.317 -1.123 -31.088 1.00 33.01 H new ATOM 0 HG3 PRO A 87 -39.121 0.426 -31.884 1.00 33.01 H new ATOM 0 HD2 PRO A 87 -40.333 0.213 -29.454 1.00 54.43 H new ATOM 0 HD3 PRO A 87 -40.801 1.448 -30.605 1.00 54.43 H new ATOM 1466 N PRO A 88 -42.421 -3.382 -32.616 1.00 0.52 N ATOM 1467 CA PRO A 88 -42.494 -4.841 -32.501 1.00 33.32 C ATOM 1468 C PRO A 88 -41.125 -5.475 -32.287 1.00 24.44 C ATOM 1469 O PRO A 88 -40.094 -4.813 -32.418 1.00 12.15 O ATOM 1470 CB PRO A 88 -43.080 -5.275 -33.848 1.00 12.54 C ATOM 1471 CG PRO A 88 -42.707 -4.183 -34.790 1.00 62.24 C ATOM 1472 CD PRO A 88 -42.712 -2.916 -33.982 1.00 33.30 C ATOM 0 HA PRO A 88 -43.088 -5.152 -31.642 1.00 33.32 H new ATOM 0 HB2 PRO A 88 -42.670 -6.232 -34.169 1.00 12.54 H new ATOM 0 HB3 PRO A 88 -44.162 -5.396 -33.789 1.00 12.54 H new ATOM 0 HG2 PRO A 88 -41.724 -4.363 -35.226 1.00 62.24 H new ATOM 0 HG3 PRO A 88 -43.416 -4.121 -35.616 1.00 62.24 H new ATOM 0 HD2 PRO A 88 -41.959 -2.211 -34.335 1.00 33.30 H new ATOM 0 HD3 PRO A 88 -43.675 -2.408 -34.037 1.00 33.30 H new ATOM 1480 N THR A 89 -41.119 -6.763 -31.957 1.00 63.32 N ATOM 1481 CA THR A 89 -39.875 -7.487 -31.724 1.00 41.12 C ATOM 1482 C THR A 89 -39.089 -7.660 -33.019 1.00 25.04 C ATOM 1483 O THR A 89 -37.861 -7.739 -33.005 1.00 0.05 O ATOM 1484 CB THR A 89 -40.139 -8.874 -31.107 1.00 61.14 C ATOM 1485 OG1 THR A 89 -40.679 -9.755 -32.098 1.00 74.01 O ATOM 1486 CG2 THR A 89 -41.102 -8.771 -29.934 1.00 3.21 C ATOM 0 H THR A 89 -41.962 -7.326 -31.845 1.00 63.32 H new ATOM 0 HA THR A 89 -39.289 -6.892 -31.023 1.00 41.12 H new ATOM 0 HB THR A 89 -39.192 -9.272 -30.744 1.00 61.14 H new ATOM 0 HG1 THR A 89 -40.843 -10.635 -31.699 1.00 74.01 H new ATOM 0 HG21 THR A 89 -41.273 -9.763 -29.515 1.00 3.21 H new ATOM 0 HG22 THR A 89 -40.675 -8.123 -29.169 1.00 3.21 H new ATOM 0 HG23 THR A 89 -42.049 -8.354 -30.276 1.00 3.21 H new ATOM 1494 N ALA A 90 -39.805 -7.717 -34.137 1.00 4.31 N ATOM 1495 CA ALA A 90 -39.173 -7.878 -35.441 1.00 71.01 C ATOM 1496 C ALA A 90 -38.383 -6.631 -35.825 1.00 73.05 C ATOM 1497 O ALA A 90 -37.404 -6.710 -36.566 1.00 25.55 O ATOM 1498 CB ALA A 90 -40.220 -8.189 -36.499 1.00 72.32 C ATOM 0 H ALA A 90 -40.823 -7.654 -34.166 1.00 4.31 H new ATOM 0 HA ALA A 90 -38.475 -8.713 -35.380 1.00 71.01 H new ATOM 0 HB1 ALA A 90 -39.735 -8.307 -37.468 1.00 72.32 H new ATOM 0 HB2 ALA A 90 -40.738 -9.112 -36.238 1.00 72.32 H new ATOM 0 HB3 ALA A 90 -40.939 -7.372 -36.551 1.00 72.32 H new ATOM 1504 N ALA A 91 -38.816 -5.482 -35.318 1.00 50.43 N ATOM 1505 CA ALA A 91 -38.148 -4.219 -35.609 1.00 35.03 C ATOM 1506 C ALA A 91 -36.651 -4.315 -35.340 1.00 30.53 C ATOM 1507 O ALA A 91 -36.228 -4.607 -34.220 1.00 21.50 O ATOM 1508 CB ALA A 91 -38.763 -3.096 -34.786 1.00 35.02 C ATOM 0 H ALA A 91 -39.626 -5.399 -34.704 1.00 50.43 H new ATOM 0 HA ALA A 91 -38.287 -3.998 -36.667 1.00 35.03 H new ATOM 0 HB1 ALA A 91 -38.255 -2.159 -35.013 1.00 35.02 H new ATOM 0 HB2 ALA A 91 -39.821 -3.004 -35.030 1.00 35.02 H new ATOM 0 HB3 ALA A 91 -38.654 -3.320 -33.725 1.00 35.02 H new ATOM 1514 N LEU A 92 -35.853 -4.070 -36.373 1.00 4.34 N ATOM 1515 CA LEU A 92 -34.400 -4.130 -36.247 1.00 41.24 C ATOM 1516 C LEU A 92 -33.847 -2.822 -35.691 1.00 34.34 C ATOM 1517 O LEU A 92 -34.188 -1.740 -36.167 1.00 22.01 O ATOM 1518 CB LEU A 92 -33.764 -4.427 -37.607 1.00 31.53 C ATOM 1519 CG LEU A 92 -32.611 -5.432 -37.602 1.00 31.52 C ATOM 1520 CD1 LEU A 92 -31.428 -4.882 -36.821 1.00 65.02 C ATOM 1521 CD2 LEU A 92 -33.065 -6.762 -37.019 1.00 62.11 C ATOM 0 H LEU A 92 -36.186 -3.828 -37.306 1.00 4.34 H new ATOM 0 HA LEU A 92 -34.153 -4.932 -35.552 1.00 41.24 H new ATOM 0 HB2 LEU A 92 -34.541 -4.798 -38.276 1.00 31.53 H new ATOM 0 HB3 LEU A 92 -33.401 -3.490 -38.029 1.00 31.53 H new ATOM 0 HG LEU A 92 -32.295 -5.599 -38.632 1.00 31.52 H new ATOM 0 HD11 LEU A 92 -30.617 -5.610 -36.828 1.00 65.02 H new ATOM 0 HD12 LEU A 92 -31.087 -3.955 -37.282 1.00 65.02 H new ATOM 0 HD13 LEU A 92 -31.731 -4.686 -35.792 1.00 65.02 H new ATOM 0 HD21 LEU A 92 -32.232 -7.465 -37.023 1.00 62.11 H new ATOM 0 HD22 LEU A 92 -33.408 -6.612 -35.995 1.00 62.11 H new ATOM 0 HD23 LEU A 92 -33.881 -7.163 -37.620 1.00 62.11 H new ATOM 1533 N MET A 93 -32.990 -2.931 -34.680 1.00 35.41 N ATOM 1534 CA MET A 93 -32.388 -1.756 -34.060 1.00 63.42 C ATOM 1535 C MET A 93 -31.642 -0.919 -35.094 1.00 4.24 C ATOM 1536 O MET A 93 -31.761 0.306 -35.118 1.00 14.21 O ATOM 1537 CB MET A 93 -31.431 -2.178 -32.942 1.00 51.24 C ATOM 1538 CG MET A 93 -32.130 -2.822 -31.756 1.00 61.05 C ATOM 1539 SD MET A 93 -33.036 -1.630 -30.753 1.00 21.13 S ATOM 1540 CE MET A 93 -31.699 -0.590 -30.172 1.00 4.00 C ATOM 0 H MET A 93 -32.697 -3.820 -34.274 1.00 35.41 H new ATOM 0 HA MET A 93 -33.188 -1.149 -33.635 1.00 63.42 H new ATOM 0 HB2 MET A 93 -30.699 -2.878 -33.346 1.00 51.24 H new ATOM 0 HB3 MET A 93 -30.879 -1.303 -32.597 1.00 51.24 H new ATOM 0 HG2 MET A 93 -32.819 -3.586 -32.116 1.00 61.05 H new ATOM 0 HG3 MET A 93 -31.391 -3.327 -31.134 1.00 61.05 H new ATOM 0 HE1 MET A 93 -31.833 -0.384 -29.110 1.00 4.00 H new ATOM 0 HE2 MET A 93 -30.748 -1.100 -30.325 1.00 4.00 H new ATOM 0 HE3 MET A 93 -31.701 0.348 -30.726 1.00 4.00 H new ATOM 1550 N SER A 94 -30.872 -1.587 -35.947 1.00 64.44 N ATOM 1551 CA SER A 94 -30.104 -0.903 -36.980 1.00 62.14 C ATOM 1552 C SER A 94 -31.030 -0.231 -37.991 1.00 23.24 C ATOM 1553 O SER A 94 -30.696 0.808 -38.558 1.00 42.23 O ATOM 1554 CB SER A 94 -29.180 -1.890 -37.697 1.00 5.00 C ATOM 1555 OG SER A 94 -28.478 -1.258 -38.753 1.00 3.02 O ATOM 0 H SER A 94 -30.764 -2.601 -35.943 1.00 64.44 H new ATOM 0 HA SER A 94 -29.500 -0.134 -36.499 1.00 62.14 H new ATOM 0 HB2 SER A 94 -28.470 -2.311 -36.985 1.00 5.00 H new ATOM 0 HB3 SER A 94 -29.766 -2.720 -38.092 1.00 5.00 H new ATOM 0 HG SER A 94 -27.894 -1.910 -39.194 1.00 3.02 H new ATOM 1561 N ALA A 95 -32.194 -0.832 -38.207 1.00 60.23 N ATOM 1562 CA ALA A 95 -33.169 -0.293 -39.147 1.00 12.25 C ATOM 1563 C ALA A 95 -33.864 0.936 -38.569 1.00 53.44 C ATOM 1564 O ALA A 95 -34.098 1.917 -39.276 1.00 2.41 O ATOM 1565 CB ALA A 95 -34.193 -1.356 -39.514 1.00 22.01 C ATOM 0 H ALA A 95 -32.486 -1.693 -37.744 1.00 60.23 H new ATOM 0 HA ALA A 95 -32.638 0.010 -40.050 1.00 12.25 H new ATOM 0 HB1 ALA A 95 -34.915 -0.939 -40.217 1.00 22.01 H new ATOM 0 HB2 ALA A 95 -33.687 -2.205 -39.974 1.00 22.01 H new ATOM 0 HB3 ALA A 95 -34.712 -1.687 -38.615 1.00 22.01 H new ATOM 1571 N ILE A 96 -34.193 0.876 -37.284 1.00 31.52 N ATOM 1572 CA ILE A 96 -34.861 1.984 -36.613 1.00 71.14 C ATOM 1573 C ILE A 96 -33.885 3.119 -36.324 1.00 13.42 C ATOM 1574 O ILE A 96 -34.129 4.269 -36.691 1.00 51.21 O ATOM 1575 CB ILE A 96 -35.513 1.533 -35.293 1.00 62.23 C ATOM 1576 CG1 ILE A 96 -36.561 0.450 -35.560 1.00 22.23 C ATOM 1577 CG2 ILE A 96 -36.140 2.720 -34.578 1.00 44.21 C ATOM 1578 CD1 ILE A 96 -37.567 0.296 -34.441 1.00 34.51 C ATOM 0 H ILE A 96 -34.008 0.071 -36.686 1.00 31.52 H new ATOM 0 HA ILE A 96 -35.639 2.340 -37.289 1.00 71.14 H new ATOM 0 HB ILE A 96 -34.740 1.113 -34.649 1.00 62.23 H new ATOM 0 HG12 ILE A 96 -37.090 0.687 -36.483 1.00 22.23 H new ATOM 0 HG13 ILE A 96 -36.056 -0.503 -35.717 1.00 22.23 H new ATOM 0 HG21 ILE A 96 -36.597 2.384 -33.647 1.00 44.21 H new ATOM 0 HG22 ILE A 96 -35.371 3.460 -34.359 1.00 44.21 H new ATOM 0 HG23 ILE A 96 -36.903 3.167 -35.215 1.00 44.21 H new ATOM 0 HD11 ILE A 96 -38.279 -0.488 -34.697 1.00 34.51 H new ATOM 0 HD12 ILE A 96 -37.049 0.029 -33.520 1.00 34.51 H new ATOM 0 HD13 ILE A 96 -38.099 1.237 -34.298 1.00 34.51 H new ATOM 1590 N TYR A 97 -32.780 2.789 -35.665 1.00 35.40 N ATOM 1591 CA TYR A 97 -31.767 3.781 -35.326 1.00 52.11 C ATOM 1592 C TYR A 97 -31.348 4.576 -36.559 1.00 73.31 C ATOM 1593 O TYR A 97 -30.963 5.740 -36.457 1.00 44.15 O ATOM 1594 CB TYR A 97 -30.546 3.102 -34.704 1.00 30.10 C ATOM 1595 CG TYR A 97 -29.269 3.895 -34.857 1.00 2.21 C ATOM 1596 CD1 TYR A 97 -28.894 4.836 -33.906 1.00 53.42 C ATOM 1597 CD2 TYR A 97 -28.436 3.705 -35.953 1.00 22.34 C ATOM 1598 CE1 TYR A 97 -27.728 5.564 -34.041 1.00 40.55 C ATOM 1599 CE2 TYR A 97 -27.268 4.427 -36.097 1.00 24.24 C ATOM 1600 CZ TYR A 97 -26.917 5.356 -35.138 1.00 55.23 C ATOM 1601 OH TYR A 97 -25.755 6.079 -35.278 1.00 64.35 O ATOM 0 H TYR A 97 -32.563 1.842 -35.355 1.00 35.40 H new ATOM 0 HA TYR A 97 -32.199 4.471 -34.601 1.00 52.11 H new ATOM 0 HB2 TYR A 97 -30.735 2.934 -33.644 1.00 30.10 H new ATOM 0 HB3 TYR A 97 -30.413 2.122 -35.163 1.00 30.10 H new ATOM 0 HD1 TYR A 97 -29.526 5.001 -33.046 1.00 53.42 H new ATOM 0 HD2 TYR A 97 -28.707 2.980 -36.706 1.00 22.34 H new ATOM 0 HE1 TYR A 97 -27.453 6.292 -33.292 1.00 40.55 H new ATOM 0 HE2 TYR A 97 -26.632 4.266 -36.955 1.00 24.24 H new ATOM 0 HH TYR A 97 -25.300 5.811 -36.104 1.00 64.35 H new ATOM 1611 N GLN A 98 -31.429 3.937 -37.721 1.00 62.24 N ATOM 1612 CA GLN A 98 -31.058 4.584 -38.975 1.00 24.31 C ATOM 1613 C GLN A 98 -31.717 5.953 -39.096 1.00 54.01 C ATOM 1614 O GLN A 98 -31.065 6.938 -39.442 1.00 64.52 O ATOM 1615 CB GLN A 98 -31.455 3.706 -40.162 1.00 40.25 C ATOM 1616 CG GLN A 98 -30.288 3.342 -41.066 1.00 72.13 C ATOM 1617 CD GLN A 98 -30.569 2.118 -41.918 1.00 5.41 C ATOM 1618 OE1 GLN A 98 -31.602 2.035 -42.582 1.00 45.15 O ATOM 1619 NE2 GLN A 98 -29.648 1.162 -41.902 1.00 50.23 N ATOM 0 H GLN A 98 -31.748 2.973 -37.821 1.00 62.24 H new ATOM 0 HA GLN A 98 -29.977 4.721 -38.979 1.00 24.31 H new ATOM 0 HB2 GLN A 98 -31.914 2.791 -39.789 1.00 40.25 H new ATOM 0 HB3 GLN A 98 -32.212 4.225 -40.750 1.00 40.25 H new ATOM 0 HG2 GLN A 98 -30.059 4.187 -41.715 1.00 72.13 H new ATOM 0 HG3 GLN A 98 -29.403 3.160 -40.456 1.00 72.13 H new ATOM 0 HE21 GLN A 98 -28.807 1.274 -41.336 1.00 50.23 H new ATOM 0 HE22 GLN A 98 -29.782 0.316 -42.455 1.00 50.23 H new ATOM 1628 N GLU A 99 -33.015 6.008 -38.811 1.00 4.25 N ATOM 1629 CA GLU A 99 -33.761 7.258 -38.890 1.00 30.51 C ATOM 1630 C GLU A 99 -34.040 7.814 -37.496 1.00 4.52 C ATOM 1631 O GLU A 99 -34.449 8.966 -37.346 1.00 55.54 O ATOM 1632 CB GLU A 99 -35.079 7.043 -39.637 1.00 53.22 C ATOM 1633 CG GLU A 99 -36.124 6.296 -38.826 1.00 71.45 C ATOM 1634 CD GLU A 99 -37.409 6.067 -39.599 1.00 65.42 C ATOM 1635 OE1 GLU A 99 -37.421 6.326 -40.821 1.00 10.01 O ATOM 1636 OE2 GLU A 99 -38.401 5.628 -38.983 1.00 34.15 O ATOM 0 H GLU A 99 -33.570 5.202 -38.524 1.00 4.25 H new ATOM 0 HA GLU A 99 -33.154 7.980 -39.436 1.00 30.51 H new ATOM 0 HB2 GLU A 99 -35.483 8.012 -39.930 1.00 53.22 H new ATOM 0 HB3 GLU A 99 -34.880 6.490 -40.555 1.00 53.22 H new ATOM 0 HG2 GLU A 99 -35.717 5.335 -38.513 1.00 71.45 H new ATOM 0 HG3 GLU A 99 -36.345 6.859 -37.919 1.00 71.45 H new ATOM 1643 N HIS A 100 -33.813 6.989 -36.479 1.00 50.21 N ATOM 1644 CA HIS A 100 -34.039 7.398 -35.097 1.00 41.15 C ATOM 1645 C HIS A 100 -32.722 7.756 -34.416 1.00 13.34 C ATOM 1646 O HIS A 100 -32.628 7.758 -33.187 1.00 65.44 O ATOM 1647 CB HIS A 100 -34.742 6.284 -34.322 1.00 73.14 C ATOM 1648 CG HIS A 100 -36.237 6.367 -34.374 1.00 41.40 C ATOM 1649 ND1 HIS A 100 -37.139 5.663 -35.097 1.00 53.13 N flip ATOM 1650 CD2 HIS A 100 -36.966 7.263 -33.622 1.00 2.43 C flip ATOM 1651 CE1 HIS A 100 -38.384 6.140 -34.771 1.00 42.22 C flip ATOM 1652 NE2 HIS A 100 -38.253 7.104 -33.878 1.00 2.14 N flip ATOM 0 H HIS A 100 -33.473 6.033 -36.586 1.00 50.21 H new ATOM 0 HA HIS A 100 -34.676 8.282 -35.104 1.00 41.15 H new ATOM 0 HB2 HIS A 100 -34.426 5.320 -34.721 1.00 73.14 H new ATOM 0 HB3 HIS A 100 -34.421 6.319 -33.281 1.00 73.14 H new ATOM 0 HD2 HIS A 100 -36.551 7.982 -32.932 1.00 2.43 H new ATOM 0 HE1 HIS A 100 -39.319 5.785 -35.179 1.00 42.22 H new ATOM 0 HE2 HIS A 100 -39.015 7.635 -33.457 1.00 2.14 H new ATOM 1660 N LYS A 101 -31.709 8.060 -35.219 1.00 71.51 N ATOM 1661 CA LYS A 101 -30.398 8.421 -34.694 1.00 25.41 C ATOM 1662 C LYS A 101 -30.288 9.928 -34.490 1.00 53.23 C ATOM 1663 O LYS A 101 -30.575 10.708 -35.398 1.00 51.51 O ATOM 1664 CB LYS A 101 -29.296 7.943 -35.643 1.00 22.03 C ATOM 1665 CG LYS A 101 -29.503 8.377 -37.083 1.00 54.33 C ATOM 1666 CD LYS A 101 -28.204 8.337 -37.871 1.00 30.31 C ATOM 1667 CE LYS A 101 -28.396 8.851 -39.288 1.00 41.45 C ATOM 1668 NZ LYS A 101 -27.150 9.459 -39.831 1.00 41.42 N ATOM 0 H LYS A 101 -31.771 8.064 -36.237 1.00 71.51 H new ATOM 0 HA LYS A 101 -30.275 7.932 -33.728 1.00 25.41 H new ATOM 0 HB2 LYS A 101 -28.336 8.323 -35.292 1.00 22.03 H new ATOM 0 HB3 LYS A 101 -29.242 6.855 -35.605 1.00 22.03 H new ATOM 0 HG2 LYS A 101 -30.238 7.726 -37.558 1.00 54.33 H new ATOM 0 HG3 LYS A 101 -29.911 9.387 -37.104 1.00 54.33 H new ATOM 0 HD2 LYS A 101 -27.451 8.939 -37.363 1.00 30.31 H new ATOM 0 HD3 LYS A 101 -27.827 7.315 -37.902 1.00 30.31 H new ATOM 0 HE2 LYS A 101 -28.710 8.030 -39.933 1.00 41.45 H new ATOM 0 HE3 LYS A 101 -29.196 9.591 -39.301 1.00 41.45 H new ATOM 0 HZ1 LYS A 101 -27.322 9.797 -40.799 1.00 41.42 H new ATOM 0 HZ2 LYS A 101 -26.864 10.258 -39.231 1.00 41.42 H new ATOM 0 HZ3 LYS A 101 -26.393 8.746 -39.843 1.00 41.42 H new ATOM 1682 N ASP A 102 -29.872 10.331 -33.295 1.00 24.11 N ATOM 1683 CA ASP A 102 -29.722 11.746 -32.974 1.00 35.44 C ATOM 1684 C ASP A 102 -28.865 12.453 -34.019 1.00 0.22 C ATOM 1685 O ASP A 102 -28.254 11.811 -34.874 1.00 3.33 O ATOM 1686 CB ASP A 102 -29.100 11.913 -31.587 1.00 21.24 C ATOM 1687 CG ASP A 102 -27.617 12.221 -31.651 1.00 43.13 C ATOM 1688 OD1 ASP A 102 -26.869 11.415 -32.244 1.00 30.41 O ATOM 1689 OD2 ASP A 102 -27.204 13.267 -31.109 1.00 4.30 O ATOM 0 H ASP A 102 -29.632 9.698 -32.532 1.00 24.11 H new ATOM 0 HA ASP A 102 -30.713 12.201 -32.976 1.00 35.44 H new ATOM 0 HB2 ASP A 102 -29.612 12.716 -31.057 1.00 21.24 H new ATOM 0 HB3 ASP A 102 -29.254 11.001 -31.011 1.00 21.24 H new ATOM 1694 N LYS A 103 -28.825 13.778 -33.944 1.00 40.55 N ATOM 1695 CA LYS A 103 -28.043 14.574 -34.883 1.00 2.51 C ATOM 1696 C LYS A 103 -26.609 14.061 -34.969 1.00 11.12 C ATOM 1697 O LYS A 103 -26.041 13.956 -36.056 1.00 51.13 O ATOM 1698 CB LYS A 103 -28.045 16.045 -34.461 1.00 43.41 C ATOM 1699 CG LYS A 103 -29.436 16.630 -34.301 1.00 12.30 C ATOM 1700 CD LYS A 103 -29.464 17.720 -33.242 1.00 52.14 C ATOM 1701 CE LYS A 103 -30.889 18.141 -32.913 1.00 2.02 C ATOM 1702 NZ LYS A 103 -31.468 19.013 -33.971 1.00 53.12 N ATOM 0 H LYS A 103 -29.325 14.324 -33.243 1.00 40.55 H new ATOM 0 HA LYS A 103 -28.502 14.484 -35.867 1.00 2.51 H new ATOM 0 HB2 LYS A 103 -27.508 16.144 -33.518 1.00 43.41 H new ATOM 0 HB3 LYS A 103 -27.498 16.628 -35.202 1.00 43.41 H new ATOM 0 HG2 LYS A 103 -29.772 17.039 -35.254 1.00 12.30 H new ATOM 0 HG3 LYS A 103 -30.135 15.839 -34.029 1.00 12.30 H new ATOM 0 HD2 LYS A 103 -28.971 17.363 -32.338 1.00 52.14 H new ATOM 0 HD3 LYS A 103 -28.900 18.584 -33.593 1.00 52.14 H new ATOM 0 HE2 LYS A 103 -31.511 17.254 -32.793 1.00 2.02 H new ATOM 0 HE3 LYS A 103 -30.901 18.670 -31.960 1.00 2.02 H new ATOM 0 HZ1 LYS A 103 -32.439 19.278 -33.710 1.00 53.12 H new ATOM 0 HZ2 LYS A 103 -30.889 19.872 -34.068 1.00 53.12 H new ATOM 0 HZ3 LYS A 103 -31.481 18.500 -34.875 1.00 53.12 H new ATOM 1716 N ASP A 104 -26.030 13.742 -33.817 1.00 34.21 N ATOM 1717 CA ASP A 104 -24.663 13.237 -33.762 1.00 72.32 C ATOM 1718 C ASP A 104 -24.645 11.712 -33.818 1.00 63.43 C ATOM 1719 O ASP A 104 -23.806 11.068 -33.191 1.00 22.15 O ATOM 1720 CB ASP A 104 -23.968 13.721 -32.489 1.00 40.32 C ATOM 1721 CG ASP A 104 -24.194 15.197 -32.232 1.00 12.14 C ATOM 1722 OD1 ASP A 104 -24.356 15.952 -33.213 1.00 51.12 O ATOM 1723 OD2 ASP A 104 -24.209 15.599 -31.049 1.00 31.14 O ATOM 0 H ASP A 104 -26.486 13.824 -32.908 1.00 34.21 H new ATOM 0 HA ASP A 104 -24.125 13.621 -34.628 1.00 72.32 H new ATOM 0 HB2 ASP A 104 -24.334 13.147 -31.638 1.00 40.32 H new ATOM 0 HB3 ASP A 104 -22.898 13.528 -32.567 1.00 40.32 H new ATOM 1728 N GLY A 105 -25.577 11.141 -34.575 1.00 34.24 N ATOM 1729 CA GLY A 105 -25.651 9.697 -34.698 1.00 10.32 C ATOM 1730 C GLY A 105 -25.639 8.999 -33.351 1.00 53.45 C ATOM 1731 O GLY A 105 -24.577 8.680 -32.819 1.00 42.32 O ATOM 0 H GLY A 105 -26.282 11.653 -35.105 1.00 34.24 H new ATOM 0 HA2 GLY A 105 -26.560 9.427 -35.236 1.00 10.32 H new ATOM 0 HA3 GLY A 105 -24.811 9.343 -35.295 1.00 10.32 H new ATOM 1735 N PHE A 106 -26.825 8.763 -32.800 1.00 12.34 N ATOM 1736 CA PHE A 106 -26.947 8.101 -31.505 1.00 50.03 C ATOM 1737 C PHE A 106 -28.354 7.542 -31.311 1.00 61.13 C ATOM 1738 O PHE A 106 -29.343 8.177 -31.680 1.00 3.22 O ATOM 1739 CB PHE A 106 -26.613 9.077 -30.376 1.00 54.32 C ATOM 1740 CG PHE A 106 -25.779 8.469 -29.285 1.00 2.44 C ATOM 1741 CD1 PHE A 106 -26.325 7.541 -28.413 1.00 12.32 C ATOM 1742 CD2 PHE A 106 -24.449 8.826 -29.132 1.00 61.10 C ATOM 1743 CE1 PHE A 106 -25.560 6.979 -27.408 1.00 4.10 C ATOM 1744 CE2 PHE A 106 -23.679 8.267 -28.130 1.00 22.54 C ATOM 1745 CZ PHE A 106 -24.235 7.343 -27.266 1.00 33.11 C ATOM 0 H PHE A 106 -27.714 9.020 -33.229 1.00 12.34 H new ATOM 0 HA PHE A 106 -26.239 7.272 -31.480 1.00 50.03 H new ATOM 0 HB2 PHE A 106 -26.084 9.934 -30.792 1.00 54.32 H new ATOM 0 HB3 PHE A 106 -27.541 9.454 -29.946 1.00 54.32 H new ATOM 0 HD1 PHE A 106 -27.360 7.253 -28.520 1.00 12.32 H new ATOM 0 HD2 PHE A 106 -24.009 9.549 -29.803 1.00 61.10 H new ATOM 0 HE1 PHE A 106 -25.998 6.257 -26.735 1.00 4.10 H new ATOM 0 HE2 PHE A 106 -22.643 8.552 -28.022 1.00 22.54 H new ATOM 0 HZ PHE A 106 -23.635 6.906 -26.481 1.00 33.11 H new ATOM 1755 N LEU A 107 -28.435 6.350 -30.730 1.00 51.14 N ATOM 1756 CA LEU A 107 -29.720 5.704 -30.486 1.00 45.44 C ATOM 1757 C LEU A 107 -30.276 6.095 -29.121 1.00 71.03 C ATOM 1758 O LEU A 107 -29.679 5.794 -28.087 1.00 52.30 O ATOM 1759 CB LEU A 107 -29.573 4.184 -30.573 1.00 71.34 C ATOM 1760 CG LEU A 107 -30.876 3.385 -30.617 1.00 14.10 C ATOM 1761 CD1 LEU A 107 -31.482 3.275 -29.226 1.00 41.32 C ATOM 1762 CD2 LEU A 107 -31.864 4.027 -31.581 1.00 10.31 C ATOM 0 H LEU A 107 -27.626 5.811 -30.419 1.00 51.14 H new ATOM 0 HA LEU A 107 -30.419 6.040 -31.252 1.00 45.44 H new ATOM 0 HB2 LEU A 107 -28.994 3.946 -31.465 1.00 71.34 H new ATOM 0 HB3 LEU A 107 -28.991 3.846 -29.715 1.00 71.34 H new ATOM 0 HG LEU A 107 -30.651 2.380 -30.974 1.00 14.10 H new ATOM 0 HD11 LEU A 107 -32.409 2.703 -29.277 1.00 41.32 H new ATOM 0 HD12 LEU A 107 -30.780 2.770 -28.562 1.00 41.32 H new ATOM 0 HD13 LEU A 107 -31.692 4.273 -28.841 1.00 41.32 H new ATOM 0 HD21 LEU A 107 -32.785 3.445 -31.599 1.00 10.31 H new ATOM 0 HD22 LEU A 107 -32.083 5.043 -31.254 1.00 10.31 H new ATOM 0 HD23 LEU A 107 -31.432 4.053 -32.581 1.00 10.31 H new ATOM 1774 N TYR A 108 -31.422 6.766 -29.126 1.00 10.53 N ATOM 1775 CA TYR A 108 -32.060 7.199 -27.888 1.00 24.44 C ATOM 1776 C TYR A 108 -33.280 6.340 -27.573 1.00 62.35 C ATOM 1777 O TYR A 108 -34.274 6.362 -28.298 1.00 43.33 O ATOM 1778 CB TYR A 108 -32.470 8.669 -27.987 1.00 42.22 C ATOM 1779 CG TYR A 108 -31.329 9.634 -27.750 1.00 30.04 C ATOM 1780 CD1 TYR A 108 -30.521 9.522 -26.626 1.00 12.24 C ATOM 1781 CD2 TYR A 108 -31.060 10.656 -28.652 1.00 3.02 C ATOM 1782 CE1 TYR A 108 -29.479 10.401 -26.404 1.00 64.03 C ATOM 1783 CE2 TYR A 108 -30.018 11.539 -28.440 1.00 60.50 C ATOM 1784 CZ TYR A 108 -29.231 11.407 -27.315 1.00 3.40 C ATOM 1785 OH TYR A 108 -28.193 12.285 -27.098 1.00 63.15 O ATOM 0 H TYR A 108 -31.929 7.022 -29.973 1.00 10.53 H new ATOM 0 HA TYR A 108 -31.339 7.083 -27.079 1.00 24.44 H new ATOM 0 HB2 TYR A 108 -32.892 8.854 -28.975 1.00 42.22 H new ATOM 0 HB3 TYR A 108 -33.259 8.867 -27.261 1.00 42.22 H new ATOM 0 HD1 TYR A 108 -30.711 8.734 -25.913 1.00 12.24 H new ATOM 0 HD2 TYR A 108 -31.675 10.762 -29.533 1.00 3.02 H new ATOM 0 HE1 TYR A 108 -28.862 10.301 -25.523 1.00 64.03 H new ATOM 0 HE2 TYR A 108 -29.821 12.328 -29.151 1.00 60.50 H new ATOM 0 HH TYR A 108 -28.153 12.932 -27.833 1.00 63.15 H new ATOM 1795 N VAL A 109 -33.196 5.580 -26.485 1.00 42.51 N ATOM 1796 CA VAL A 109 -34.294 4.713 -26.071 1.00 43.12 C ATOM 1797 C VAL A 109 -34.543 4.821 -24.571 1.00 51.21 C ATOM 1798 O VAL A 109 -33.819 5.517 -23.858 1.00 34.01 O ATOM 1799 CB VAL A 109 -34.012 3.242 -26.429 1.00 44.41 C ATOM 1800 CG1 VAL A 109 -34.343 2.975 -27.889 1.00 53.31 C ATOM 1801 CG2 VAL A 109 -32.562 2.890 -26.131 1.00 1.24 C ATOM 0 H VAL A 109 -32.379 5.547 -25.875 1.00 42.51 H new ATOM 0 HA VAL A 109 -35.182 5.046 -26.609 1.00 43.12 H new ATOM 0 HB VAL A 109 -34.651 2.608 -25.814 1.00 44.41 H new ATOM 0 HG11 VAL A 109 -34.137 1.931 -28.124 1.00 53.31 H new ATOM 0 HG12 VAL A 109 -35.397 3.186 -28.068 1.00 53.31 H new ATOM 0 HG13 VAL A 109 -33.732 3.617 -28.524 1.00 53.31 H new ATOM 0 HG21 VAL A 109 -32.380 1.847 -26.390 1.00 1.24 H new ATOM 0 HG22 VAL A 109 -31.904 3.530 -26.719 1.00 1.24 H new ATOM 0 HG23 VAL A 109 -32.362 3.041 -25.070 1.00 1.24 H new ATOM 1811 N THR A 110 -35.573 4.127 -24.097 1.00 14.00 N ATOM 1812 CA THR A 110 -35.920 4.144 -22.682 1.00 54.41 C ATOM 1813 C THR A 110 -36.376 2.769 -22.211 1.00 33.21 C ATOM 1814 O THR A 110 -36.775 1.926 -23.015 1.00 1.10 O ATOM 1815 CB THR A 110 -37.033 5.170 -22.388 1.00 63.51 C ATOM 1816 OG1 THR A 110 -38.313 4.602 -22.685 1.00 22.31 O ATOM 1817 CG2 THR A 110 -36.831 6.436 -23.208 1.00 44.04 C ATOM 0 H THR A 110 -36.182 3.546 -24.673 1.00 14.00 H new ATOM 0 HA THR A 110 -35.019 4.431 -22.140 1.00 54.41 H new ATOM 0 HB THR A 110 -36.988 5.430 -21.330 1.00 63.51 H new ATOM 0 HG1 THR A 110 -39.019 5.209 -22.379 1.00 22.31 H new ATOM 0 HG21 THR A 110 -37.628 7.145 -22.984 1.00 44.04 H new ATOM 0 HG22 THR A 110 -35.868 6.881 -22.958 1.00 44.04 H new ATOM 0 HG23 THR A 110 -36.852 6.189 -24.269 1.00 44.04 H new ATOM 1825 N TYR A 111 -36.316 2.547 -20.902 1.00 43.20 N ATOM 1826 CA TYR A 111 -36.721 1.272 -20.324 1.00 75.31 C ATOM 1827 C TYR A 111 -37.592 1.485 -19.088 1.00 63.34 C ATOM 1828 O TYR A 111 -37.283 2.315 -18.234 1.00 42.43 O ATOM 1829 CB TYR A 111 -35.491 0.440 -19.957 1.00 21.13 C ATOM 1830 CG TYR A 111 -34.883 0.815 -18.625 1.00 4.24 C ATOM 1831 CD1 TYR A 111 -33.999 1.882 -18.518 1.00 44.03 C ATOM 1832 CD2 TYR A 111 -35.192 0.103 -17.472 1.00 60.31 C ATOM 1833 CE1 TYR A 111 -33.440 2.228 -17.303 1.00 24.44 C ATOM 1834 CE2 TYR A 111 -34.638 0.442 -16.252 1.00 42.22 C ATOM 1835 CZ TYR A 111 -33.763 1.505 -16.173 1.00 62.51 C ATOM 1836 OH TYR A 111 -33.208 1.846 -14.961 1.00 12.31 O ATOM 0 H TYR A 111 -35.991 3.234 -20.222 1.00 43.20 H new ATOM 0 HA TYR A 111 -37.306 0.734 -21.070 1.00 75.31 H new ATOM 0 HB2 TYR A 111 -35.768 -0.614 -19.937 1.00 21.13 H new ATOM 0 HB3 TYR A 111 -34.738 0.556 -20.736 1.00 21.13 H new ATOM 0 HD1 TYR A 111 -33.745 2.451 -19.400 1.00 44.03 H new ATOM 0 HD2 TYR A 111 -35.877 -0.730 -17.530 1.00 60.31 H new ATOM 0 HE1 TYR A 111 -32.754 3.060 -17.238 1.00 24.44 H new ATOM 0 HE2 TYR A 111 -34.889 -0.122 -15.366 1.00 42.22 H new ATOM 0 HH TYR A 111 -33.645 1.337 -14.246 1.00 12.31 H new ATOM 1846 N SER A 112 -38.681 0.728 -19.002 1.00 65.15 N ATOM 1847 CA SER A 112 -39.599 0.836 -17.874 1.00 23.11 C ATOM 1848 C SER A 112 -40.564 -0.346 -17.845 1.00 43.12 C ATOM 1849 O SER A 112 -40.746 -1.038 -18.846 1.00 54.32 O ATOM 1850 CB SER A 112 -40.382 2.148 -17.950 1.00 70.13 C ATOM 1851 OG SER A 112 -40.954 2.472 -16.695 1.00 54.52 O ATOM 0 H SER A 112 -38.949 0.034 -19.699 1.00 65.15 H new ATOM 0 HA SER A 112 -39.011 0.826 -16.956 1.00 23.11 H new ATOM 0 HB2 SER A 112 -39.720 2.953 -18.270 1.00 70.13 H new ATOM 0 HB3 SER A 112 -41.168 2.064 -18.701 1.00 70.13 H new ATOM 0 HG SER A 112 -41.448 3.315 -16.769 1.00 54.52 H new ATOM 1857 N GLY A 113 -41.181 -0.569 -16.689 1.00 24.44 N ATOM 1858 CA GLY A 113 -42.120 -1.666 -16.549 1.00 73.03 C ATOM 1859 C GLY A 113 -43.544 -1.254 -16.864 1.00 35.14 C ATOM 1860 O GLY A 113 -44.493 -1.945 -16.493 1.00 42.33 O ATOM 0 H GLY A 113 -41.047 -0.009 -15.847 1.00 24.44 H new ATOM 0 HA2 GLY A 113 -41.825 -2.479 -17.212 1.00 73.03 H new ATOM 0 HA3 GLY A 113 -42.074 -2.052 -15.531 1.00 73.03 H new ATOM 1864 N GLU A 114 -43.695 -0.124 -17.547 1.00 64.13 N ATOM 1865 CA GLU A 114 -45.014 0.381 -17.909 1.00 74.41 C ATOM 1866 C GLU A 114 -44.956 1.173 -19.212 1.00 0.15 C ATOM 1867 O GLU A 114 -43.943 1.796 -19.526 1.00 61.23 O ATOM 1868 CB GLU A 114 -45.573 1.260 -16.788 1.00 55.23 C ATOM 1869 CG GLU A 114 -44.550 2.213 -16.196 1.00 22.15 C ATOM 1870 CD GLU A 114 -45.164 3.192 -15.214 1.00 11.20 C ATOM 1871 OE1 GLU A 114 -45.230 2.863 -14.011 1.00 22.13 O ATOM 1872 OE2 GLU A 114 -45.580 4.287 -15.648 1.00 60.23 O ATOM 0 H GLU A 114 -42.920 0.460 -17.861 1.00 64.13 H new ATOM 0 HA GLU A 114 -45.675 -0.474 -18.054 1.00 74.41 H new ATOM 0 HB2 GLU A 114 -46.413 1.837 -17.174 1.00 55.23 H new ATOM 0 HB3 GLU A 114 -45.963 0.620 -15.996 1.00 55.23 H new ATOM 0 HG2 GLU A 114 -43.773 1.638 -15.692 1.00 22.15 H new ATOM 0 HG3 GLU A 114 -44.066 2.767 -17.001 1.00 22.15 H new ATOM 1879 N ASN A 115 -46.050 1.142 -19.965 1.00 12.22 N ATOM 1880 CA ASN A 115 -46.124 1.857 -21.234 1.00 43.13 C ATOM 1881 C ASN A 115 -47.145 2.988 -21.164 1.00 11.12 C ATOM 1882 O ASN A 115 -47.703 3.403 -22.181 1.00 64.40 O ATOM 1883 CB ASN A 115 -46.492 0.893 -22.365 1.00 25.11 C ATOM 1884 CG ASN A 115 -45.817 1.254 -23.674 1.00 43.22 C ATOM 1885 OD1 ASN A 115 -46.470 1.365 -24.713 1.00 1.05 O ATOM 1886 ND2 ASN A 115 -44.503 1.439 -23.632 1.00 10.25 N ATOM 0 H ASN A 115 -46.897 0.630 -19.719 1.00 12.22 H new ATOM 0 HA ASN A 115 -45.144 2.289 -21.436 1.00 43.13 H new ATOM 0 HB2 ASN A 115 -46.210 -0.121 -22.081 1.00 25.11 H new ATOM 0 HB3 ASN A 115 -47.573 0.896 -22.504 1.00 25.11 H new ATOM 0 HD21 ASN A 115 -43.995 1.683 -24.482 1.00 10.25 H new ATOM 0 HD22 ASN A 115 -44.002 1.337 -22.750 1.00 10.25 H new ATOM 1893 N THR A 116 -47.386 3.486 -19.955 1.00 32.43 N ATOM 1894 CA THR A 116 -48.340 4.569 -19.750 1.00 32.52 C ATOM 1895 C THR A 116 -47.968 5.406 -18.531 1.00 11.10 C ATOM 1896 O THR A 116 -47.006 5.101 -17.826 1.00 40.12 O ATOM 1897 CB THR A 116 -49.772 4.029 -19.570 1.00 23.03 C ATOM 1898 OG1 THR A 116 -49.736 2.737 -18.953 1.00 45.13 O ATOM 1899 CG2 THR A 116 -50.488 3.938 -20.909 1.00 45.22 C ATOM 0 H THR A 116 -46.933 3.156 -19.103 1.00 32.43 H new ATOM 0 HA THR A 116 -48.305 5.195 -20.642 1.00 32.52 H new ATOM 0 HB THR A 116 -50.319 4.721 -18.929 1.00 23.03 H new ATOM 0 HG1 THR A 116 -50.650 2.402 -18.841 1.00 45.13 H new ATOM 0 HG21 THR A 116 -51.497 3.554 -20.757 1.00 45.22 H new ATOM 0 HG22 THR A 116 -50.541 4.928 -21.361 1.00 45.22 H new ATOM 0 HG23 THR A 116 -49.940 3.266 -21.570 1.00 45.22 H new ATOM 1907 N PHE A 117 -48.736 6.462 -18.288 1.00 50.44 N ATOM 1908 CA PHE A 117 -48.487 7.344 -17.154 1.00 40.21 C ATOM 1909 C PHE A 117 -49.720 7.445 -16.261 1.00 74.23 C ATOM 1910 O PHE A 117 -50.845 7.549 -16.748 1.00 13.31 O ATOM 1911 CB PHE A 117 -48.082 8.737 -17.643 1.00 60.31 C ATOM 1912 CG PHE A 117 -48.840 9.188 -18.859 1.00 45.52 C ATOM 1913 CD1 PHE A 117 -48.396 8.856 -20.130 1.00 50.41 C ATOM 1914 CD2 PHE A 117 -49.993 9.945 -18.733 1.00 20.12 C ATOM 1915 CE1 PHE A 117 -49.091 9.269 -21.252 1.00 4.44 C ATOM 1916 CE2 PHE A 117 -50.692 10.360 -19.851 1.00 11.34 C ATOM 1917 CZ PHE A 117 -50.240 10.023 -21.112 1.00 5.32 C ATOM 0 H PHE A 117 -49.537 6.728 -18.861 1.00 50.44 H new ATOM 0 HA PHE A 117 -47.671 6.920 -16.569 1.00 40.21 H new ATOM 0 HB2 PHE A 117 -48.239 9.456 -16.839 1.00 60.31 H new ATOM 0 HB3 PHE A 117 -47.015 8.739 -17.868 1.00 60.31 H new ATOM 0 HD1 PHE A 117 -47.497 8.268 -20.245 1.00 50.41 H new ATOM 0 HD2 PHE A 117 -50.350 10.214 -17.750 1.00 20.12 H new ATOM 0 HE1 PHE A 117 -48.736 9.002 -22.236 1.00 4.44 H new ATOM 0 HE2 PHE A 117 -51.591 10.948 -19.739 1.00 11.34 H new ATOM 0 HZ PHE A 117 -50.784 10.348 -21.987 1.00 5.32 H new ATOM 1927 N GLY A 118 -49.499 7.412 -14.951 1.00 15.11 N ATOM 1928 CA GLY A 118 -50.601 7.499 -14.010 1.00 10.11 C ATOM 1929 C GLY A 118 -50.205 8.180 -12.715 1.00 60.40 C ATOM 1930 O GLY A 118 -49.513 9.198 -12.727 1.00 23.24 O ATOM 0 H GLY A 118 -48.577 7.327 -14.524 1.00 15.11 H new ATOM 0 HA2 GLY A 118 -51.424 8.047 -14.469 1.00 10.11 H new ATOM 0 HA3 GLY A 118 -50.969 6.496 -13.792 1.00 10.11 H new ATOM 1934 N ARG A 119 -50.645 7.617 -11.595 1.00 21.24 N ATOM 1935 CA ARG A 119 -50.334 8.178 -10.285 1.00 32.42 C ATOM 1936 C ARG A 119 -49.238 7.371 -9.594 1.00 11.51 C ATOM 1937 O ARG A 119 -49.480 6.266 -9.108 1.00 2.21 O ATOM 1938 CB ARG A 119 -51.588 8.208 -9.409 1.00 61.34 C ATOM 1939 CG ARG A 119 -51.590 9.334 -8.388 1.00 35.23 C ATOM 1940 CD ARG A 119 -52.840 9.297 -7.523 1.00 55.50 C ATOM 1941 NE ARG A 119 -52.690 8.403 -6.379 1.00 70.40 N ATOM 1942 CZ ARG A 119 -53.713 7.930 -5.675 1.00 62.32 C ATOM 1943 NH1 ARG A 119 -54.954 8.265 -5.997 1.00 22.20 N ATOM 1944 NH2 ARG A 119 -53.495 7.119 -4.648 1.00 2.12 N ATOM 0 H ARG A 119 -51.218 6.773 -11.568 1.00 21.24 H new ATOM 0 HA ARG A 119 -49.975 9.197 -10.430 1.00 32.42 H new ATOM 0 HB2 ARG A 119 -52.465 8.307 -10.048 1.00 61.34 H new ATOM 0 HB3 ARG A 119 -51.679 7.255 -8.887 1.00 61.34 H new ATOM 0 HG2 ARG A 119 -50.706 9.255 -7.756 1.00 35.23 H new ATOM 0 HG3 ARG A 119 -51.530 10.293 -8.902 1.00 35.23 H new ATOM 0 HD2 ARG A 119 -53.065 10.303 -7.169 1.00 55.50 H new ATOM 0 HD3 ARG A 119 -53.688 8.974 -8.126 1.00 55.50 H new ATOM 0 HE ARG A 119 -51.747 8.126 -6.105 1.00 70.40 H new ATOM 0 HH11 ARG A 119 -55.126 8.887 -6.787 1.00 22.20 H new ATOM 0 HH12 ARG A 119 -55.738 7.901 -5.455 1.00 22.20 H new ATOM 0 HH21 ARG A 119 -52.541 6.858 -4.398 1.00 2.12 H new ATOM 0 HH22 ARG A 119 -54.281 6.757 -4.108 1.00 2.12 H new TER 1958 ARG A 119