USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 857 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 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 -166:sc= -0.0103 (180deg=-0.245) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.845 X(o=-0.84,f=-0.52) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 100:sc= -0.497! USER MOD Single : A 31 TYR OH : rot 180:sc=-0.000279 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.753 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= -0.602 (180deg=-0.992) USER MOD Single : A 51 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.051) USER MOD Single : A 52 TYR OH : rot -130:sc= -1.37 USER MOD Single : A 59 SER OG : rot 175:sc= -0.0155 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 72 ASN : amide:sc= -4.28! K(o=-4.3!,f=-0.0068) USER MOD Single : A 74 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.3) USER MOD Single : A 78 SER OG : rot 80:sc= -2.67! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -1.73! K(o=-1.7!,f=0.12) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 147:sc= 0.138 USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0.0093) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -129:sc= -0.0039 (180deg=-0.4) USER MOD Single : A 108 THR OG1 : rot -42:sc= 0.77 USER MOD Single : A 109 ASN : amide:sc= -0.295 X(o=-0.3,f=-0.18) USER MOD Single : A 110 SER OG : rot 180:sc= -0.297 USER MOD Single : A 114 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.440 -5.210 5.522 1.00 1.13 N ATOM 2 CA GLY A 1 0.272 -4.348 4.367 1.00 74.12 C ATOM 3 C GLY A 1 1.595 -3.902 3.778 1.00 4.04 C ATOM 4 O GLY A 1 2.225 -2.972 4.283 1.00 54.13 O ATOM 0 H1 GLY A 1 -0.494 -5.487 5.887 1.00 1.13 H new ATOM 0 H2 GLY A 1 0.970 -6.061 5.246 1.00 1.13 H new ATOM 0 H3 GLY A 1 0.964 -4.701 6.262 1.00 1.13 H new ATOM 0 HA2 GLY A 1 -0.302 -4.875 3.605 1.00 74.12 H new ATOM 0 HA3 GLY A 1 -0.308 -3.471 4.654 1.00 74.12 H new ATOM 8 N SER A 2 2.020 -4.568 2.709 1.00 4.42 N ATOM 9 CA SER A 2 3.281 -4.238 2.055 1.00 41.13 C ATOM 10 C SER A 2 3.106 -3.060 1.102 1.00 44.55 C ATOM 11 O SER A 2 2.031 -2.856 0.539 1.00 33.34 O ATOM 12 CB SER A 2 3.816 -5.451 1.291 1.00 4.15 C ATOM 13 OG SER A 2 4.523 -6.325 2.154 1.00 30.23 O ATOM 0 H SER A 2 1.510 -5.339 2.278 1.00 4.42 H new ATOM 0 HA SER A 2 3.999 -3.957 2.825 1.00 41.13 H new ATOM 0 HB2 SER A 2 2.988 -5.986 0.825 1.00 4.15 H new ATOM 0 HB3 SER A 2 4.473 -5.118 0.487 1.00 4.15 H new ATOM 0 HG SER A 2 4.853 -7.093 1.643 1.00 30.23 H new ATOM 19 N MET A 3 4.173 -2.286 0.925 1.00 33.12 N ATOM 20 CA MET A 3 4.138 -1.128 0.039 1.00 24.33 C ATOM 21 C MET A 3 5.188 -1.254 -1.060 1.00 41.14 C ATOM 22 O MET A 3 6.219 -1.900 -0.876 1.00 63.32 O ATOM 23 CB MET A 3 4.369 0.157 0.836 1.00 51.30 C ATOM 24 CG MET A 3 3.138 0.634 1.590 1.00 51.14 C ATOM 25 SD MET A 3 3.419 2.182 2.471 1.00 62.30 S ATOM 26 CE MET A 3 4.527 1.636 3.768 1.00 23.01 C ATOM 0 H MET A 3 5.071 -2.440 1.383 1.00 33.12 H new ATOM 0 HA MET A 3 3.153 -1.086 -0.426 1.00 24.33 H new ATOM 0 HB2 MET A 3 5.179 -0.006 1.546 1.00 51.30 H new ATOM 0 HB3 MET A 3 4.695 0.943 0.155 1.00 51.30 H new ATOM 0 HG2 MET A 3 2.315 0.765 0.888 1.00 51.14 H new ATOM 0 HG3 MET A 3 2.832 -0.134 2.301 1.00 51.14 H new ATOM 0 HE1 MET A 3 4.597 2.407 4.535 1.00 23.01 H new ATOM 0 HE2 MET A 3 4.144 0.717 4.211 1.00 23.01 H new ATOM 0 HE3 MET A 3 5.516 1.452 3.348 1.00 23.01 H new ATOM 36 N SER A 4 4.918 -0.632 -2.204 1.00 22.12 N ATOM 37 CA SER A 4 5.838 -0.678 -3.334 1.00 71.15 C ATOM 38 C SER A 4 5.840 0.649 -4.088 1.00 32.35 C ATOM 39 O SER A 4 4.805 1.299 -4.224 1.00 53.33 O ATOM 40 CB SER A 4 5.456 -1.816 -4.284 1.00 1.34 C ATOM 41 OG SER A 4 6.138 -1.699 -5.520 1.00 42.32 O ATOM 0 H SER A 4 4.070 -0.091 -2.372 1.00 22.12 H new ATOM 0 HA SER A 4 6.841 -0.858 -2.947 1.00 71.15 H new ATOM 0 HB2 SER A 4 5.694 -2.774 -3.823 1.00 1.34 H new ATOM 0 HB3 SER A 4 4.380 -1.804 -4.456 1.00 1.34 H new ATOM 0 HG SER A 4 5.878 -2.438 -6.108 1.00 42.32 H new ATOM 47 N GLY A 5 7.012 1.044 -4.575 1.00 3.04 N ATOM 48 CA GLY A 5 7.129 2.291 -5.308 1.00 15.02 C ATOM 49 C GLY A 5 7.833 3.370 -4.509 1.00 34.21 C ATOM 50 O GLY A 5 7.280 3.897 -3.544 1.00 74.51 O ATOM 0 H GLY A 5 7.883 0.523 -4.475 1.00 3.04 H new ATOM 0 HA2 GLY A 5 7.676 2.114 -6.234 1.00 15.02 H new ATOM 0 HA3 GLY A 5 6.135 2.640 -5.586 1.00 15.02 H new ATOM 54 N GLU A 6 9.057 3.698 -4.910 1.00 73.35 N ATOM 55 CA GLU A 6 9.838 4.719 -4.223 1.00 14.24 C ATOM 56 C GLU A 6 10.490 5.670 -5.222 1.00 23.11 C ATOM 57 O GLU A 6 10.618 5.371 -6.409 1.00 70.14 O ATOM 58 CB GLU A 6 10.910 4.069 -3.346 1.00 33.32 C ATOM 59 CG GLU A 6 10.433 3.748 -1.939 1.00 63.10 C ATOM 60 CD GLU A 6 9.865 4.959 -1.225 1.00 43.11 C ATOM 61 OE1 GLU A 6 8.646 5.202 -1.345 1.00 64.14 O ATOM 62 OE2 GLU A 6 10.641 5.664 -0.545 1.00 54.05 O ATOM 0 H GLU A 6 9.529 3.271 -5.707 1.00 73.35 H new ATOM 0 HA GLU A 6 9.161 5.293 -3.591 1.00 14.24 H new ATOM 0 HB2 GLU A 6 11.250 3.150 -3.824 1.00 33.32 H new ATOM 0 HB3 GLU A 6 11.771 4.735 -3.286 1.00 33.32 H new ATOM 0 HG2 GLU A 6 9.672 2.969 -1.986 1.00 63.10 H new ATOM 0 HG3 GLU A 6 11.265 3.347 -1.360 1.00 63.10 H new ATOM 69 N PRO A 7 10.913 6.844 -4.731 1.00 43.41 N ATOM 70 CA PRO A 7 11.560 7.863 -5.563 1.00 53.43 C ATOM 71 C PRO A 7 12.952 7.441 -6.020 1.00 0.32 C ATOM 72 O PRO A 7 13.566 6.552 -5.431 1.00 51.33 O ATOM 73 CB PRO A 7 11.647 9.077 -4.634 1.00 54.05 C ATOM 74 CG PRO A 7 11.649 8.503 -3.260 1.00 32.31 C ATOM 75 CD PRO A 7 10.794 7.268 -3.326 1.00 34.42 C ATOM 0 HA PRO A 7 11.005 8.051 -6.482 1.00 53.43 H new ATOM 0 HB2 PRO A 7 12.551 9.656 -4.823 1.00 54.05 H new ATOM 0 HB3 PRO A 7 10.802 9.749 -4.781 1.00 54.05 H new ATOM 0 HG2 PRO A 7 12.662 8.260 -2.940 1.00 32.31 H new ATOM 0 HG3 PRO A 7 11.250 9.216 -2.539 1.00 32.31 H new ATOM 0 HD2 PRO A 7 11.149 6.497 -2.642 1.00 34.42 H new ATOM 0 HD3 PRO A 7 9.759 7.481 -3.057 1.00 34.42 H new ATOM 83 N GLY A 8 13.445 8.086 -7.073 1.00 64.32 N ATOM 84 CA GLY A 8 14.762 7.763 -7.590 1.00 63.23 C ATOM 85 C GLY A 8 15.622 8.994 -7.795 1.00 45.05 C ATOM 86 O GLY A 8 15.120 10.117 -7.791 1.00 13.24 O ATOM 0 H GLY A 8 12.956 8.826 -7.577 1.00 64.32 H new ATOM 0 HA2 GLY A 8 15.263 7.084 -6.900 1.00 63.23 H new ATOM 0 HA3 GLY A 8 14.657 7.235 -8.538 1.00 63.23 H new ATOM 90 N GLN A 9 16.922 8.783 -7.974 1.00 64.34 N ATOM 91 CA GLN A 9 17.854 9.886 -8.180 1.00 31.54 C ATOM 92 C GLN A 9 18.873 9.543 -9.261 1.00 40.24 C ATOM 93 O GLN A 9 19.808 8.776 -9.029 1.00 2.42 O ATOM 94 CB GLN A 9 18.574 10.223 -6.873 1.00 33.34 C ATOM 95 CG GLN A 9 19.024 11.672 -6.782 1.00 71.14 C ATOM 96 CD GLN A 9 20.182 11.982 -7.710 1.00 60.02 C ATOM 97 OE1 GLN A 9 21.262 11.402 -7.590 1.00 14.02 O ATOM 98 NE2 GLN A 9 19.963 12.901 -8.644 1.00 25.14 N ATOM 0 H GLN A 9 17.354 7.859 -7.981 1.00 64.34 H new ATOM 0 HA GLN A 9 17.283 10.755 -8.507 1.00 31.54 H new ATOM 0 HB2 GLN A 9 17.911 10.004 -6.036 1.00 33.34 H new ATOM 0 HB3 GLN A 9 19.444 9.574 -6.769 1.00 33.34 H new ATOM 0 HG2 GLN A 9 18.185 12.325 -7.023 1.00 71.14 H new ATOM 0 HG3 GLN A 9 19.316 11.894 -5.756 1.00 71.14 H new ATOM 0 HE21 GLN A 9 19.053 13.357 -8.708 1.00 25.14 H new ATOM 0 HE22 GLN A 9 20.705 13.151 -9.298 1.00 25.14 H new ATOM 107 N THR A 10 18.686 10.117 -10.446 1.00 62.53 N ATOM 108 CA THR A 10 19.588 9.871 -11.565 1.00 11.13 C ATOM 109 C THR A 10 20.254 11.162 -12.028 1.00 34.13 C ATOM 110 O THR A 10 19.596 12.192 -12.177 1.00 21.20 O ATOM 111 CB THR A 10 18.846 9.234 -12.755 1.00 22.11 C ATOM 112 OG1 THR A 10 19.752 9.031 -13.845 1.00 42.20 O ATOM 113 CG2 THR A 10 17.690 10.114 -13.206 1.00 45.13 C ATOM 0 H THR A 10 17.918 10.755 -10.655 1.00 62.53 H new ATOM 0 HA THR A 10 20.351 9.179 -11.210 1.00 11.13 H new ATOM 0 HB THR A 10 18.445 8.273 -12.433 1.00 22.11 H new ATOM 0 HG1 THR A 10 19.273 8.624 -14.597 1.00 42.20 H new ATOM 0 HG21 THR A 10 17.181 9.643 -14.047 1.00 45.13 H new ATOM 0 HG22 THR A 10 16.987 10.242 -12.383 1.00 45.13 H new ATOM 0 HG23 THR A 10 18.072 11.088 -13.512 1.00 45.13 H new ATOM 121 N SER A 11 21.562 11.099 -12.254 1.00 51.42 N ATOM 122 CA SER A 11 22.317 12.265 -12.698 1.00 4.13 C ATOM 123 C SER A 11 23.557 11.843 -13.481 1.00 52.31 C ATOM 124 O SER A 11 24.638 11.682 -12.915 1.00 42.43 O ATOM 125 CB SER A 11 22.726 13.121 -11.497 1.00 51.34 C ATOM 126 OG SER A 11 22.629 14.502 -11.800 1.00 3.43 O ATOM 0 H SER A 11 22.121 10.254 -12.137 1.00 51.42 H new ATOM 0 HA SER A 11 21.676 12.854 -13.354 1.00 4.13 H new ATOM 0 HB2 SER A 11 22.088 12.887 -10.645 1.00 51.34 H new ATOM 0 HB3 SER A 11 23.748 12.880 -11.206 1.00 51.34 H new ATOM 0 HG SER A 11 22.894 15.028 -11.017 1.00 3.43 H new ATOM 132 N VAL A 12 23.391 11.665 -14.788 1.00 11.40 N ATOM 133 CA VAL A 12 24.495 11.263 -15.651 1.00 40.41 C ATOM 134 C VAL A 12 24.353 11.869 -17.043 1.00 4.11 C ATOM 135 O VAL A 12 23.652 11.329 -17.898 1.00 24.42 O ATOM 136 CB VAL A 12 24.580 9.731 -15.776 1.00 70.45 C ATOM 137 CG1 VAL A 12 25.819 9.327 -16.561 1.00 20.31 C ATOM 138 CG2 VAL A 12 24.576 9.083 -14.400 1.00 75.21 C ATOM 0 H VAL A 12 22.502 11.793 -15.272 1.00 11.40 H new ATOM 0 HA VAL A 12 25.410 11.633 -15.188 1.00 40.41 H new ATOM 0 HB VAL A 12 23.704 9.379 -16.320 1.00 70.45 H new ATOM 0 HG11 VAL A 12 25.862 8.241 -16.639 1.00 20.31 H new ATOM 0 HG12 VAL A 12 25.774 9.761 -17.560 1.00 20.31 H new ATOM 0 HG13 VAL A 12 26.709 9.689 -16.047 1.00 20.31 H new ATOM 0 HG21 VAL A 12 24.637 8.000 -14.508 1.00 75.21 H new ATOM 0 HG22 VAL A 12 25.432 9.439 -13.828 1.00 75.21 H new ATOM 0 HG23 VAL A 12 23.656 9.345 -13.877 1.00 75.21 H new ATOM 148 N ALA A 13 25.024 12.995 -17.263 1.00 64.13 N ATOM 149 CA ALA A 13 24.976 13.673 -18.553 1.00 14.45 C ATOM 150 C ALA A 13 25.960 14.837 -18.598 1.00 62.12 C ATOM 151 O ALA A 13 26.410 15.342 -17.569 1.00 55.12 O ATOM 152 CB ALA A 13 23.564 14.163 -18.838 1.00 75.21 C ATOM 0 H ALA A 13 25.607 13.457 -16.565 1.00 64.13 H new ATOM 0 HA ALA A 13 25.264 12.958 -19.323 1.00 14.45 H new ATOM 0 HB1 ALA A 13 23.542 14.667 -19.804 1.00 75.21 H new ATOM 0 HB2 ALA A 13 22.881 13.314 -18.856 1.00 75.21 H new ATOM 0 HB3 ALA A 13 23.256 14.859 -18.058 1.00 75.21 H new ATOM 158 N PRO A 14 26.306 15.273 -19.819 1.00 15.34 N ATOM 159 CA PRO A 14 27.241 16.382 -20.027 1.00 41.42 C ATOM 160 C PRO A 14 26.652 17.725 -19.607 1.00 21.43 C ATOM 161 O PRO A 14 25.452 17.854 -19.362 1.00 64.10 O ATOM 162 CB PRO A 14 27.490 16.357 -21.537 1.00 51.34 C ATOM 163 CG PRO A 14 26.273 15.718 -22.111 1.00 54.32 C ATOM 164 CD PRO A 14 25.809 14.718 -21.089 1.00 31.03 C ATOM 0 HA PRO A 14 28.146 16.269 -19.429 1.00 41.42 H new ATOM 0 HB2 PRO A 14 27.632 17.363 -21.931 1.00 51.34 H new ATOM 0 HB3 PRO A 14 28.388 15.789 -21.781 1.00 51.34 H new ATOM 0 HG2 PRO A 14 25.500 16.460 -22.310 1.00 54.32 H new ATOM 0 HG3 PRO A 14 26.499 15.231 -23.059 1.00 54.32 H new ATOM 0 HD2 PRO A 14 24.723 14.620 -21.087 1.00 31.03 H new ATOM 0 HD3 PRO A 14 26.219 13.727 -21.282 1.00 31.03 H new ATOM 172 N PRO A 15 27.514 18.749 -19.520 1.00 73.13 N ATOM 173 CA PRO A 15 27.100 20.100 -19.130 1.00 45.11 C ATOM 174 C PRO A 15 26.250 20.778 -20.199 1.00 62.33 C ATOM 175 O PRO A 15 26.723 21.104 -21.288 1.00 42.12 O ATOM 176 CB PRO A 15 28.429 20.840 -18.955 1.00 13.54 C ATOM 177 CG PRO A 15 29.389 20.107 -19.826 1.00 2.11 C ATOM 178 CD PRO A 15 28.958 18.667 -19.797 1.00 74.14 C ATOM 0 HA PRO A 15 26.478 20.093 -18.235 1.00 45.11 H new ATOM 0 HB2 PRO A 15 28.342 21.885 -19.253 1.00 13.54 H new ATOM 0 HB3 PRO A 15 28.753 20.831 -17.914 1.00 13.54 H new ATOM 0 HG2 PRO A 15 29.371 20.499 -20.843 1.00 2.11 H new ATOM 0 HG3 PRO A 15 30.410 20.216 -19.460 1.00 2.11 H new ATOM 0 HD2 PRO A 15 29.158 18.169 -20.746 1.00 74.14 H new ATOM 0 HD3 PRO A 15 29.484 18.105 -19.025 1.00 74.14 H new ATOM 186 N PRO A 16 24.965 20.996 -19.884 1.00 72.31 N ATOM 187 CA PRO A 16 24.022 21.638 -20.805 1.00 31.32 C ATOM 188 C PRO A 16 24.325 23.118 -21.006 1.00 45.43 C ATOM 189 O PRO A 16 25.304 23.639 -20.471 1.00 72.52 O ATOM 190 CB PRO A 16 22.670 21.459 -20.110 1.00 31.23 C ATOM 191 CG PRO A 16 23.002 21.330 -18.663 1.00 71.51 C ATOM 192 CD PRO A 16 24.333 20.633 -18.604 1.00 62.24 C ATOM 0 HA PRO A 16 24.065 21.201 -21.803 1.00 31.32 H new ATOM 0 HB2 PRO A 16 22.016 22.312 -20.292 1.00 31.23 H new ATOM 0 HB3 PRO A 16 22.150 20.574 -20.477 1.00 31.23 H new ATOM 0 HG2 PRO A 16 23.052 22.309 -18.185 1.00 71.51 H new ATOM 0 HG3 PRO A 16 22.238 20.758 -18.137 1.00 71.51 H new ATOM 0 HD2 PRO A 16 24.926 20.970 -17.753 1.00 62.24 H new ATOM 0 HD3 PRO A 16 24.217 19.554 -18.505 1.00 62.24 H new ATOM 200 N GLU A 17 23.480 23.791 -21.781 1.00 0.22 N ATOM 201 CA GLU A 17 23.660 25.213 -22.052 1.00 73.52 C ATOM 202 C GLU A 17 23.610 26.024 -20.761 1.00 33.34 C ATOM 203 O GLU A 17 22.838 25.717 -19.853 1.00 74.30 O ATOM 204 CB GLU A 17 22.585 25.709 -23.021 1.00 52.32 C ATOM 205 CG GLU A 17 21.167 25.509 -22.512 1.00 61.15 C ATOM 206 CD GLU A 17 20.564 24.194 -22.968 1.00 4.03 C ATOM 207 OE1 GLU A 17 20.338 24.034 -24.185 1.00 50.42 O ATOM 208 OE2 GLU A 17 20.319 23.324 -22.105 1.00 44.43 O ATOM 0 H GLU A 17 22.665 23.375 -22.232 1.00 0.22 H new ATOM 0 HA GLU A 17 24.641 25.349 -22.507 1.00 73.52 H new ATOM 0 HB2 GLU A 17 22.746 26.769 -23.217 1.00 52.32 H new ATOM 0 HB3 GLU A 17 22.697 25.189 -23.972 1.00 52.32 H new ATOM 0 HG2 GLU A 17 21.167 25.546 -21.423 1.00 61.15 H new ATOM 0 HG3 GLU A 17 20.541 26.331 -22.859 1.00 61.15 H new ATOM 215 N GLU A 18 24.439 27.060 -20.687 1.00 25.32 N ATOM 216 CA GLU A 18 24.491 27.914 -19.506 1.00 73.11 C ATOM 217 C GLU A 18 23.429 29.007 -19.579 1.00 51.42 C ATOM 218 O GLU A 18 23.652 30.067 -20.165 1.00 71.23 O ATOM 219 CB GLU A 18 25.878 28.544 -19.365 1.00 20.54 C ATOM 220 CG GLU A 18 26.998 27.525 -19.236 1.00 4.23 C ATOM 221 CD GLU A 18 28.196 28.068 -18.480 1.00 33.42 C ATOM 222 OE1 GLU A 18 28.022 28.485 -17.316 1.00 10.43 O ATOM 223 OE2 GLU A 18 29.306 28.075 -19.052 1.00 33.23 O ATOM 0 H GLU A 18 25.084 27.328 -21.430 1.00 25.32 H new ATOM 0 HA GLU A 18 24.291 27.294 -18.632 1.00 73.11 H new ATOM 0 HB2 GLU A 18 26.071 29.176 -20.232 1.00 20.54 H new ATOM 0 HB3 GLU A 18 25.886 29.193 -18.489 1.00 20.54 H new ATOM 0 HG2 GLU A 18 26.621 26.639 -18.725 1.00 4.23 H new ATOM 0 HG3 GLU A 18 27.313 27.209 -20.230 1.00 4.23 H new ATOM 230 N VAL A 19 22.272 28.742 -18.980 1.00 43.10 N ATOM 231 CA VAL A 19 21.175 29.703 -18.976 1.00 63.41 C ATOM 232 C VAL A 19 20.415 29.662 -17.656 1.00 14.55 C ATOM 233 O VAL A 19 20.237 28.599 -17.063 1.00 30.12 O ATOM 234 CB VAL A 19 20.192 29.436 -20.131 1.00 33.11 C ATOM 235 CG1 VAL A 19 19.195 30.578 -20.258 1.00 32.32 C ATOM 236 CG2 VAL A 19 20.946 29.228 -21.435 1.00 40.35 C ATOM 0 H VAL A 19 22.070 27.870 -18.491 1.00 43.10 H new ATOM 0 HA VAL A 19 21.617 30.691 -19.107 1.00 63.41 H new ATOM 0 HB VAL A 19 19.637 28.524 -19.910 1.00 33.11 H new ATOM 0 HG11 VAL A 19 18.508 30.372 -21.079 1.00 32.32 H new ATOM 0 HG12 VAL A 19 18.632 30.674 -19.330 1.00 32.32 H new ATOM 0 HG13 VAL A 19 19.729 31.507 -20.456 1.00 32.32 H new ATOM 0 HG21 VAL A 19 20.236 29.041 -22.240 1.00 40.35 H new ATOM 0 HG22 VAL A 19 21.528 30.120 -21.665 1.00 40.35 H new ATOM 0 HG23 VAL A 19 21.616 28.374 -21.336 1.00 40.35 H new ATOM 246 N GLU A 20 19.967 30.829 -17.201 1.00 21.11 N ATOM 247 CA GLU A 20 19.225 30.926 -15.949 1.00 42.34 C ATOM 248 C GLU A 20 17.820 31.469 -16.191 1.00 13.41 C ATOM 249 O GLU A 20 17.476 32.577 -15.779 1.00 14.25 O ATOM 250 CB GLU A 20 19.968 31.826 -14.959 1.00 21.50 C ATOM 251 CG GLU A 20 20.727 32.964 -15.621 1.00 33.51 C ATOM 252 CD GLU A 20 19.856 33.777 -16.559 1.00 2.33 C ATOM 253 OE1 GLU A 20 19.133 34.671 -16.070 1.00 44.14 O ATOM 254 OE2 GLU A 20 19.897 33.520 -17.780 1.00 3.50 O ATOM 0 H GLU A 20 20.105 31.719 -17.680 1.00 21.11 H new ATOM 0 HA GLU A 20 19.141 29.925 -15.527 1.00 42.34 H new ATOM 0 HB2 GLU A 20 19.251 32.242 -14.251 1.00 21.50 H new ATOM 0 HB3 GLU A 20 20.668 31.219 -14.385 1.00 21.50 H new ATOM 0 HG2 GLU A 20 21.136 33.619 -14.852 1.00 33.51 H new ATOM 0 HG3 GLU A 20 21.572 32.558 -16.176 1.00 33.51 H new ATOM 261 N PRO A 21 16.987 30.672 -16.876 1.00 63.43 N ATOM 262 CA PRO A 21 15.606 31.050 -17.189 1.00 1.42 C ATOM 263 C PRO A 21 14.718 31.077 -15.950 1.00 32.13 C ATOM 264 O PRO A 21 13.780 31.868 -15.863 1.00 51.42 O ATOM 265 CB PRO A 21 15.147 29.953 -18.153 1.00 11.44 C ATOM 266 CG PRO A 21 16.001 28.778 -17.823 1.00 60.03 C ATOM 267 CD PRO A 21 17.330 29.338 -17.398 1.00 42.13 C ATOM 0 HA PRO A 21 15.543 32.055 -17.606 1.00 1.42 H new ATOM 0 HB2 PRO A 21 14.090 29.724 -18.018 1.00 11.44 H new ATOM 0 HB3 PRO A 21 15.277 30.258 -19.191 1.00 11.44 H new ATOM 0 HG2 PRO A 21 15.555 28.183 -17.026 1.00 60.03 H new ATOM 0 HG3 PRO A 21 16.112 28.122 -18.686 1.00 60.03 H new ATOM 0 HD2 PRO A 21 17.802 28.718 -16.636 1.00 42.13 H new ATOM 0 HD3 PRO A 21 18.026 29.401 -18.235 1.00 42.13 H new ATOM 275 N GLY A 22 15.020 30.206 -14.991 1.00 41.14 N ATOM 276 CA GLY A 22 14.239 30.147 -13.770 1.00 3.15 C ATOM 277 C GLY A 22 14.299 31.440 -12.981 1.00 34.05 C ATOM 278 O GLY A 22 13.484 31.667 -12.086 1.00 51.22 O ATOM 0 H GLY A 22 15.792 29.541 -15.039 1.00 41.14 H new ATOM 0 HA2 GLY A 22 13.201 29.923 -14.017 1.00 3.15 H new ATOM 0 HA3 GLY A 22 14.603 29.329 -13.149 1.00 3.15 H new ATOM 282 N SER A 23 15.267 32.289 -13.311 1.00 15.13 N ATOM 283 CA SER A 23 15.433 33.564 -12.623 1.00 34.15 C ATOM 284 C SER A 23 14.118 34.337 -12.586 1.00 51.15 C ATOM 285 O SER A 23 13.514 34.606 -13.624 1.00 43.32 O ATOM 286 CB SER A 23 16.512 34.402 -13.311 1.00 13.24 C ATOM 287 OG SER A 23 17.747 33.709 -13.352 1.00 0.04 O ATOM 0 H SER A 23 15.948 32.117 -14.050 1.00 15.13 H new ATOM 0 HA SER A 23 15.742 33.358 -11.598 1.00 34.15 H new ATOM 0 HB2 SER A 23 16.195 34.647 -14.325 1.00 13.24 H new ATOM 0 HB3 SER A 23 16.638 35.345 -12.780 1.00 13.24 H new ATOM 0 HG SER A 23 17.871 33.313 -14.240 1.00 0.04 H new ATOM 293 N GLY A 24 13.680 34.692 -11.382 1.00 73.32 N ATOM 294 CA GLY A 24 12.440 35.430 -11.232 1.00 14.32 C ATOM 295 C GLY A 24 11.531 34.830 -10.177 1.00 63.43 C ATOM 296 O GLY A 24 10.307 34.905 -10.286 1.00 23.31 O ATOM 0 H GLY A 24 14.162 34.482 -10.508 1.00 73.32 H new ATOM 0 HA2 GLY A 24 12.666 36.463 -10.968 1.00 14.32 H new ATOM 0 HA3 GLY A 24 11.916 35.453 -12.188 1.00 14.32 H new ATOM 300 N VAL A 25 12.131 34.230 -9.154 1.00 20.31 N ATOM 301 CA VAL A 25 11.368 33.613 -8.075 1.00 60.35 C ATOM 302 C VAL A 25 12.108 33.720 -6.747 1.00 45.12 C ATOM 303 O VAL A 25 13.331 33.860 -6.716 1.00 62.50 O ATOM 304 CB VAL A 25 11.078 32.129 -8.371 1.00 1.14 C ATOM 305 CG1 VAL A 25 10.080 31.570 -7.368 1.00 51.21 C ATOM 306 CG2 VAL A 25 10.569 31.959 -9.794 1.00 31.01 C ATOM 0 H VAL A 25 13.143 34.158 -9.050 1.00 20.31 H new ATOM 0 HA VAL A 25 10.424 34.154 -8.005 1.00 60.35 H new ATOM 0 HB VAL A 25 12.008 31.568 -8.273 1.00 1.14 H new ATOM 0 HG11 VAL A 25 9.887 30.521 -7.593 1.00 51.21 H new ATOM 0 HG12 VAL A 25 10.489 31.656 -6.361 1.00 51.21 H new ATOM 0 HG13 VAL A 25 9.148 32.132 -7.431 1.00 51.21 H new ATOM 0 HG21 VAL A 25 10.369 30.905 -9.986 1.00 31.01 H new ATOM 0 HG22 VAL A 25 9.650 32.531 -9.923 1.00 31.01 H new ATOM 0 HG23 VAL A 25 11.322 32.319 -10.495 1.00 31.01 H new ATOM 316 N ARG A 26 11.359 33.654 -5.651 1.00 64.24 N ATOM 317 CA ARG A 26 11.945 33.744 -4.319 1.00 54.32 C ATOM 318 C ARG A 26 11.573 32.526 -3.478 1.00 41.43 C ATOM 319 O ARG A 26 10.641 32.575 -2.675 1.00 51.53 O ATOM 320 CB ARG A 26 11.478 35.022 -3.620 1.00 12.14 C ATOM 321 CG ARG A 26 11.996 35.162 -2.197 1.00 75.33 C ATOM 322 CD ARG A 26 10.869 35.461 -1.221 1.00 74.11 C ATOM 323 NE ARG A 26 10.649 36.896 -1.061 1.00 64.14 N ATOM 324 CZ ARG A 26 9.893 37.422 -0.104 1.00 72.35 C ATOM 325 NH1 ARG A 26 9.287 36.635 0.774 1.00 73.34 N ATOM 326 NH2 ARG A 26 9.742 38.738 -0.024 1.00 73.53 N ATOM 0 H ARG A 26 10.346 33.539 -5.659 1.00 64.24 H new ATOM 0 HA ARG A 26 13.029 33.772 -4.427 1.00 54.32 H new ATOM 0 HB2 ARG A 26 11.803 35.884 -4.202 1.00 12.14 H new ATOM 0 HB3 ARG A 26 10.388 35.040 -3.604 1.00 12.14 H new ATOM 0 HG2 ARG A 26 12.501 34.243 -1.900 1.00 75.33 H new ATOM 0 HG3 ARG A 26 12.737 35.961 -2.155 1.00 75.33 H new ATOM 0 HD2 ARG A 26 9.951 34.991 -1.573 1.00 74.11 H new ATOM 0 HD3 ARG A 26 11.102 35.020 -0.252 1.00 74.11 H new ATOM 0 HE ARG A 26 11.101 37.529 -1.721 1.00 64.14 H new ATOM 0 HH11 ARG A 26 9.401 35.623 0.716 1.00 73.34 H new ATOM 0 HH12 ARG A 26 8.707 37.041 1.508 1.00 73.34 H new ATOM 0 HH21 ARG A 26 10.207 39.347 -0.698 1.00 73.53 H new ATOM 0 HH22 ARG A 26 9.161 39.141 0.711 1.00 73.53 H new ATOM 340 N ILE A 27 12.308 31.436 -3.669 1.00 73.21 N ATOM 341 CA ILE A 27 12.056 30.206 -2.928 1.00 55.20 C ATOM 342 C ILE A 27 12.422 30.366 -1.456 1.00 51.35 C ATOM 343 O ILE A 27 13.352 31.096 -1.113 1.00 21.01 O ATOM 344 CB ILE A 27 12.846 29.022 -3.516 1.00 54.33 C ATOM 345 CG1 ILE A 27 12.649 28.952 -5.032 1.00 14.20 C ATOM 346 CG2 ILE A 27 12.414 27.719 -2.860 1.00 3.42 C ATOM 347 CD1 ILE A 27 13.518 27.914 -5.707 1.00 14.21 C ATOM 0 H ILE A 27 13.083 31.379 -4.330 1.00 73.21 H new ATOM 0 HA ILE A 27 10.989 29.999 -3.014 1.00 55.20 H new ATOM 0 HB ILE A 27 13.906 29.175 -3.313 1.00 54.33 H new ATOM 0 HG12 ILE A 27 11.603 28.732 -5.244 1.00 14.20 H new ATOM 0 HG13 ILE A 27 12.863 29.930 -5.464 1.00 14.20 H new ATOM 0 HG21 ILE A 27 12.981 26.892 -3.286 1.00 3.42 H new ATOM 0 HG22 ILE A 27 12.600 27.772 -1.787 1.00 3.42 H new ATOM 0 HG23 ILE A 27 11.350 27.558 -3.036 1.00 3.42 H new ATOM 0 HD11 ILE A 27 13.326 27.920 -6.780 1.00 14.21 H new ATOM 0 HD12 ILE A 27 14.568 28.144 -5.525 1.00 14.21 H new ATOM 0 HD13 ILE A 27 13.288 26.928 -5.303 1.00 14.21 H new ATOM 359 N VAL A 28 11.685 29.678 -0.590 1.00 61.35 N ATOM 360 CA VAL A 28 11.934 29.741 0.845 1.00 71.32 C ATOM 361 C VAL A 28 11.561 28.428 1.525 1.00 3.32 C ATOM 362 O VAL A 28 10.402 28.205 1.874 1.00 20.50 O ATOM 363 CB VAL A 28 11.145 30.889 1.501 1.00 33.24 C ATOM 364 CG1 VAL A 28 11.391 30.917 3.002 1.00 23.31 C ATOM 365 CG2 VAL A 28 11.516 32.221 0.867 1.00 74.21 C ATOM 0 H VAL A 28 10.911 29.070 -0.857 1.00 61.35 H new ATOM 0 HA VAL A 28 13.001 29.923 0.974 1.00 71.32 H new ATOM 0 HB VAL A 28 10.082 30.717 1.334 1.00 33.24 H new ATOM 0 HG11 VAL A 28 10.825 31.735 3.448 1.00 23.31 H new ATOM 0 HG12 VAL A 28 11.071 29.972 3.441 1.00 23.31 H new ATOM 0 HG13 VAL A 28 12.454 31.064 3.194 1.00 23.31 H new ATOM 0 HG21 VAL A 28 10.949 33.021 1.343 1.00 74.21 H new ATOM 0 HG22 VAL A 28 12.582 32.403 1.001 1.00 74.21 H new ATOM 0 HG23 VAL A 28 11.283 32.195 -0.197 1.00 74.21 H new ATOM 375 N VAL A 29 12.553 27.562 1.712 1.00 55.52 N ATOM 376 CA VAL A 29 12.330 26.272 2.352 1.00 32.24 C ATOM 377 C VAL A 29 12.237 26.419 3.867 1.00 73.20 C ATOM 378 O VAL A 29 13.243 26.631 4.542 1.00 22.44 O ATOM 379 CB VAL A 29 13.454 25.275 2.012 1.00 12.15 C ATOM 380 CG1 VAL A 29 13.153 23.908 2.607 1.00 22.24 C ATOM 381 CG2 VAL A 29 13.644 25.180 0.506 1.00 15.21 C ATOM 0 H VAL A 29 13.518 27.731 1.429 1.00 55.52 H new ATOM 0 HA VAL A 29 11.385 25.887 1.968 1.00 32.24 H new ATOM 0 HB VAL A 29 14.383 25.639 2.450 1.00 12.15 H new ATOM 0 HG11 VAL A 29 13.958 23.217 2.356 1.00 22.24 H new ATOM 0 HG12 VAL A 29 13.072 23.993 3.691 1.00 22.24 H new ATOM 0 HG13 VAL A 29 12.213 23.533 2.201 1.00 22.24 H new ATOM 0 HG21 VAL A 29 14.442 24.471 0.284 1.00 15.21 H new ATOM 0 HG22 VAL A 29 12.718 24.840 0.043 1.00 15.21 H new ATOM 0 HG23 VAL A 29 13.909 26.160 0.110 1.00 15.21 H new ATOM 391 N GLU A 30 11.021 26.304 4.394 1.00 45.33 N ATOM 392 CA GLU A 30 10.797 26.425 5.829 1.00 25.05 C ATOM 393 C GLU A 30 10.955 25.073 6.520 1.00 11.42 C ATOM 394 O GLU A 30 10.137 24.172 6.337 1.00 31.53 O ATOM 395 CB GLU A 30 9.403 26.991 6.105 1.00 50.32 C ATOM 396 CG GLU A 30 9.260 27.615 7.483 1.00 24.31 C ATOM 397 CD GLU A 30 7.976 28.405 7.636 1.00 55.33 C ATOM 398 OE1 GLU A 30 6.927 27.935 7.147 1.00 42.11 O ATOM 399 OE2 GLU A 30 8.019 29.495 8.245 1.00 70.12 O ATOM 0 H GLU A 30 10.177 26.127 3.848 1.00 45.33 H new ATOM 0 HA GLU A 30 11.544 27.109 6.231 1.00 25.05 H new ATOM 0 HB2 GLU A 30 9.169 27.741 5.350 1.00 50.32 H new ATOM 0 HB3 GLU A 30 8.669 26.192 5.999 1.00 50.32 H new ATOM 0 HG2 GLU A 30 9.291 26.830 8.238 1.00 24.31 H new ATOM 0 HG3 GLU A 30 10.110 28.271 7.670 1.00 24.31 H new ATOM 406 N TYR A 31 12.012 24.941 7.313 1.00 21.15 N ATOM 407 CA TYR A 31 12.279 23.699 8.029 1.00 5.25 C ATOM 408 C TYR A 31 12.864 23.981 9.410 1.00 1.41 C ATOM 409 O TYR A 31 13.366 25.075 9.673 1.00 25.52 O ATOM 410 CB TYR A 31 13.240 22.820 7.227 1.00 74.32 C ATOM 411 CG TYR A 31 14.637 23.388 7.121 1.00 13.31 C ATOM 412 CD1 TYR A 31 15.590 23.126 8.097 1.00 44.43 C ATOM 413 CD2 TYR A 31 15.003 24.187 6.044 1.00 30.25 C ATOM 414 CE1 TYR A 31 16.868 23.645 8.004 1.00 34.44 C ATOM 415 CE2 TYR A 31 16.278 24.708 5.943 1.00 24.01 C ATOM 416 CZ TYR A 31 17.207 24.434 6.926 1.00 51.53 C ATOM 417 OH TYR A 31 18.479 24.951 6.829 1.00 14.34 O ATOM 0 H TYR A 31 12.698 25.678 7.476 1.00 21.15 H new ATOM 0 HA TYR A 31 11.333 23.172 8.155 1.00 5.25 H new ATOM 0 HB2 TYR A 31 13.292 21.835 7.692 1.00 74.32 H new ATOM 0 HB3 TYR A 31 12.838 22.678 6.224 1.00 74.32 H new ATOM 0 HD1 TYR A 31 15.328 22.507 8.942 1.00 44.43 H new ATOM 0 HD2 TYR A 31 14.278 24.404 5.273 1.00 30.25 H new ATOM 0 HE1 TYR A 31 17.597 23.433 8.772 1.00 34.44 H new ATOM 0 HE2 TYR A 31 16.547 25.326 5.099 1.00 24.01 H new ATOM 0 HH TYR A 31 18.554 25.484 6.010 1.00 14.34 H new ATOM 427 N CYS A 32 12.796 22.987 10.289 1.00 55.21 N ATOM 428 CA CYS A 32 13.317 23.126 11.643 1.00 23.52 C ATOM 429 C CYS A 32 14.842 23.069 11.647 1.00 42.20 C ATOM 430 O CYS A 32 15.433 21.993 11.565 1.00 1.02 O ATOM 431 CB CYS A 32 12.753 22.025 12.544 1.00 1.44 C ATOM 432 SG CYS A 32 13.471 21.995 14.219 1.00 73.25 S ATOM 0 H CYS A 32 12.385 22.076 10.087 1.00 55.21 H new ATOM 0 HA CYS A 32 13.006 24.097 12.028 1.00 23.52 H new ATOM 0 HB2 CYS A 32 11.674 22.154 12.625 1.00 1.44 H new ATOM 0 HB3 CYS A 32 12.924 21.059 12.069 1.00 1.44 H new ATOM 437 N GLU A 33 15.472 24.236 11.743 1.00 52.13 N ATOM 438 CA GLU A 33 16.928 24.319 11.757 1.00 54.04 C ATOM 439 C GLU A 33 17.513 23.428 12.848 1.00 31.13 C ATOM 440 O GLU A 33 18.262 22.488 12.582 1.00 30.32 O ATOM 441 CB GLU A 33 17.376 25.766 11.969 1.00 2.34 C ATOM 442 CG GLU A 33 17.777 26.474 10.686 1.00 3.21 C ATOM 443 CD GLU A 33 19.274 26.699 10.587 1.00 14.43 C ATOM 444 OE1 GLU A 33 19.987 25.768 10.160 1.00 44.41 O ATOM 445 OE2 GLU A 33 19.730 27.808 10.938 1.00 64.24 O ATOM 0 H GLU A 33 14.997 25.136 11.812 1.00 52.13 H new ATOM 0 HA GLU A 33 17.296 23.970 10.792 1.00 54.04 H new ATOM 0 HB2 GLU A 33 16.567 26.322 12.443 1.00 2.34 H new ATOM 0 HB3 GLU A 33 18.219 25.779 12.660 1.00 2.34 H new ATOM 0 HG2 GLU A 33 17.445 25.885 9.831 1.00 3.21 H new ATOM 0 HG3 GLU A 33 17.265 27.434 10.630 1.00 3.21 H new ATOM 452 N PRO A 34 17.164 23.730 14.108 1.00 63.41 N ATOM 453 CA PRO A 34 17.643 22.969 15.266 1.00 63.33 C ATOM 454 C PRO A 34 17.040 21.570 15.330 1.00 70.31 C ATOM 455 O PRO A 34 16.417 21.196 16.324 1.00 24.04 O ATOM 456 CB PRO A 34 17.177 23.807 16.459 1.00 45.24 C ATOM 457 CG PRO A 34 15.999 24.565 15.952 1.00 43.12 C ATOM 458 CD PRO A 34 16.275 24.836 14.499 1.00 42.42 C ATOM 0 HA PRO A 34 18.721 22.812 15.233 1.00 63.33 H new ATOM 0 HB2 PRO A 34 16.907 23.175 17.305 1.00 45.24 H new ATOM 0 HB3 PRO A 34 17.963 24.480 16.802 1.00 45.24 H new ATOM 0 HG2 PRO A 34 15.082 23.989 16.074 1.00 43.12 H new ATOM 0 HG3 PRO A 34 15.867 25.495 16.504 1.00 43.12 H new ATOM 0 HD2 PRO A 34 15.358 24.842 13.910 1.00 42.42 H new ATOM 0 HD3 PRO A 34 16.752 25.805 14.355 1.00 42.42 H new ATOM 466 N CYS A 35 17.228 20.800 14.264 1.00 65.45 N ATOM 467 CA CYS A 35 16.703 19.441 14.198 1.00 1.31 C ATOM 468 C CYS A 35 17.609 18.547 13.356 1.00 3.54 C ATOM 469 O CYS A 35 17.896 17.411 13.728 1.00 25.54 O ATOM 470 CB CYS A 35 15.289 19.447 13.614 1.00 31.32 C ATOM 471 SG CYS A 35 14.010 20.039 14.769 1.00 61.14 S ATOM 0 H CYS A 35 17.741 21.094 13.433 1.00 65.45 H new ATOM 0 HA CYS A 35 16.669 19.042 15.212 1.00 1.31 H new ATOM 0 HB2 CYS A 35 15.278 20.075 12.723 1.00 31.32 H new ATOM 0 HB3 CYS A 35 15.035 18.436 13.294 1.00 31.32 H new ATOM 476 N GLY A 36 18.057 19.071 12.219 1.00 1.22 N ATOM 477 CA GLY A 36 18.926 18.308 11.342 1.00 30.05 C ATOM 478 C GLY A 36 18.378 18.200 9.933 1.00 33.25 C ATOM 479 O GLY A 36 18.724 17.279 9.194 1.00 61.43 O ATOM 0 H GLY A 36 17.834 20.010 11.890 1.00 1.22 H new ATOM 0 HA2 GLY A 36 19.909 18.778 11.311 1.00 30.05 H new ATOM 0 HA3 GLY A 36 19.064 17.308 11.753 1.00 30.05 H new ATOM 483 N PHE A 37 17.518 19.142 9.561 1.00 50.22 N ATOM 484 CA PHE A 37 16.918 19.147 8.232 1.00 41.43 C ATOM 485 C PHE A 37 17.651 20.116 7.308 1.00 62.31 C ATOM 486 O PHE A 37 17.178 20.425 6.215 1.00 61.31 O ATOM 487 CB PHE A 37 15.439 19.529 8.318 1.00 32.51 C ATOM 488 CG PHE A 37 14.607 18.534 9.077 1.00 10.50 C ATOM 489 CD1 PHE A 37 14.238 17.332 8.495 1.00 4.13 C ATOM 490 CD2 PHE A 37 14.194 18.802 10.372 1.00 2.03 C ATOM 491 CE1 PHE A 37 13.472 16.416 9.191 1.00 4.12 C ATOM 492 CE2 PHE A 37 13.428 17.890 11.073 1.00 23.44 C ATOM 493 CZ PHE A 37 13.068 16.695 10.482 1.00 30.42 C ATOM 0 H PHE A 37 17.221 19.912 10.161 1.00 50.22 H new ATOM 0 HA PHE A 37 17.004 18.142 7.819 1.00 41.43 H new ATOM 0 HB2 PHE A 37 15.351 20.505 8.796 1.00 32.51 H new ATOM 0 HB3 PHE A 37 15.039 19.631 7.309 1.00 32.51 H new ATOM 0 HD1 PHE A 37 14.552 17.108 7.486 1.00 4.13 H new ATOM 0 HD2 PHE A 37 14.474 19.735 10.839 1.00 2.03 H new ATOM 0 HE1 PHE A 37 13.190 15.483 8.726 1.00 4.12 H new ATOM 0 HE2 PHE A 37 13.111 18.112 12.082 1.00 23.44 H new ATOM 0 HZ PHE A 37 12.471 15.980 11.028 1.00 30.42 H new ATOM 503 N GLU A 38 18.809 20.591 7.757 1.00 72.21 N ATOM 504 CA GLU A 38 19.607 21.525 6.971 1.00 15.13 C ATOM 505 C GLU A 38 20.658 20.785 6.149 1.00 11.22 C ATOM 506 O GLU A 38 21.234 21.341 5.214 1.00 20.24 O ATOM 507 CB GLU A 38 20.285 22.546 7.887 1.00 51.21 C ATOM 508 CG GLU A 38 21.239 23.478 7.158 1.00 20.43 C ATOM 509 CD GLU A 38 21.735 24.609 8.038 1.00 64.23 C ATOM 510 OE1 GLU A 38 22.607 24.356 8.895 1.00 22.10 O ATOM 511 OE2 GLU A 38 21.251 25.748 7.868 1.00 64.42 O ATOM 0 H GLU A 38 19.215 20.345 8.660 1.00 72.21 H new ATOM 0 HA GLU A 38 18.939 22.048 6.287 1.00 15.13 H new ATOM 0 HB2 GLU A 38 19.519 23.140 8.385 1.00 51.21 H new ATOM 0 HB3 GLU A 38 20.833 22.016 8.666 1.00 51.21 H new ATOM 0 HG2 GLU A 38 22.092 22.906 6.793 1.00 20.43 H new ATOM 0 HG3 GLU A 38 20.737 23.895 6.285 1.00 20.43 H new ATOM 518 N ALA A 39 20.903 19.528 6.506 1.00 55.54 N ATOM 519 CA ALA A 39 21.883 18.712 5.801 1.00 73.41 C ATOM 520 C ALA A 39 21.365 18.294 4.429 1.00 73.11 C ATOM 521 O ALA A 39 22.140 17.925 3.546 1.00 22.54 O ATOM 522 CB ALA A 39 22.240 17.486 6.628 1.00 63.40 C ATOM 0 H ALA A 39 20.436 19.053 7.279 1.00 55.54 H new ATOM 0 HA ALA A 39 22.781 19.312 5.654 1.00 73.41 H new ATOM 0 HB1 ALA A 39 22.973 16.885 6.090 1.00 63.40 H new ATOM 0 HB2 ALA A 39 22.660 17.801 7.583 1.00 63.40 H new ATOM 0 HB3 ALA A 39 21.343 16.892 6.804 1.00 63.40 H new ATOM 528 N THR A 40 20.048 18.354 4.255 1.00 30.21 N ATOM 529 CA THR A 40 19.426 17.980 2.991 1.00 21.11 C ATOM 530 C THR A 40 19.175 19.204 2.119 1.00 40.45 C ATOM 531 O THR A 40 19.214 19.122 0.891 1.00 53.14 O ATOM 532 CB THR A 40 18.093 17.243 3.217 1.00 33.34 C ATOM 533 OG1 THR A 40 18.324 16.018 3.923 1.00 55.05 O ATOM 534 CG2 THR A 40 17.405 16.949 1.893 1.00 40.24 C ATOM 0 H THR A 40 19.392 18.658 4.974 1.00 30.21 H new ATOM 0 HA THR A 40 20.121 17.311 2.483 1.00 21.11 H new ATOM 0 HB THR A 40 17.444 17.887 3.810 1.00 33.34 H new ATOM 0 HG1 THR A 40 17.471 15.556 4.064 1.00 55.05 H new ATOM 0 HG21 THR A 40 16.466 16.428 2.079 1.00 40.24 H new ATOM 0 HG22 THR A 40 17.204 17.885 1.372 1.00 40.24 H new ATOM 0 HG23 THR A 40 18.052 16.323 1.278 1.00 40.24 H new ATOM 542 N TYR A 41 18.919 20.339 2.760 1.00 55.14 N ATOM 543 CA TYR A 41 18.659 21.581 2.041 1.00 3.10 C ATOM 544 C TYR A 41 19.934 22.112 1.393 1.00 65.10 C ATOM 545 O TYR A 41 19.883 22.875 0.428 1.00 43.52 O ATOM 546 CB TYR A 41 18.080 22.632 2.989 1.00 3.35 C ATOM 547 CG TYR A 41 18.189 24.046 2.465 1.00 1.32 C ATOM 548 CD1 TYR A 41 17.559 24.421 1.285 1.00 15.55 C ATOM 549 CD2 TYR A 41 18.922 25.008 3.151 1.00 71.44 C ATOM 550 CE1 TYR A 41 17.656 25.712 0.803 1.00 50.04 C ATOM 551 CE2 TYR A 41 19.024 26.301 2.676 1.00 14.00 C ATOM 552 CZ TYR A 41 18.389 26.648 1.501 1.00 3.24 C ATOM 553 OH TYR A 41 18.488 27.935 1.024 1.00 14.25 O ATOM 0 H TYR A 41 18.886 20.425 3.776 1.00 55.14 H new ATOM 0 HA TYR A 41 17.933 21.371 1.255 1.00 3.10 H new ATOM 0 HB2 TYR A 41 17.031 22.402 3.175 1.00 3.35 H new ATOM 0 HB3 TYR A 41 18.595 22.568 3.947 1.00 3.35 H new ATOM 0 HD1 TYR A 41 16.984 23.691 0.735 1.00 15.55 H new ATOM 0 HD2 TYR A 41 19.420 24.740 4.071 1.00 71.44 H new ATOM 0 HE1 TYR A 41 17.160 25.987 -0.116 1.00 50.04 H new ATOM 0 HE2 TYR A 41 19.597 27.036 3.221 1.00 14.00 H new ATOM 0 HH TYR A 41 19.039 28.469 1.634 1.00 14.25 H new ATOM 563 N LEU A 42 21.078 21.702 1.930 1.00 20.51 N ATOM 564 CA LEU A 42 22.369 22.134 1.405 1.00 34.11 C ATOM 565 C LEU A 42 22.935 21.103 0.434 1.00 34.31 C ATOM 566 O LEU A 42 23.429 21.452 -0.637 1.00 61.42 O ATOM 567 CB LEU A 42 23.355 22.368 2.551 1.00 71.13 C ATOM 568 CG LEU A 42 23.608 23.827 2.931 1.00 14.14 C ATOM 569 CD1 LEU A 42 22.349 24.453 3.513 1.00 62.42 C ATOM 570 CD2 LEU A 42 24.761 23.929 3.919 1.00 70.41 C ATOM 0 H LEU A 42 21.138 21.071 2.729 1.00 20.51 H new ATOM 0 HA LEU A 42 22.220 23.069 0.866 1.00 34.11 H new ATOM 0 HB2 LEU A 42 22.988 21.842 3.432 1.00 71.13 H new ATOM 0 HB3 LEU A 42 24.308 21.913 2.282 1.00 71.13 H new ATOM 0 HG LEU A 42 23.879 24.375 2.029 1.00 14.14 H new ATOM 0 HD11 LEU A 42 22.548 25.491 3.778 1.00 62.42 H new ATOM 0 HD12 LEU A 42 21.548 24.414 2.774 1.00 62.42 H new ATOM 0 HD13 LEU A 42 22.048 23.903 4.404 1.00 62.42 H new ATOM 0 HD21 LEU A 42 24.927 24.975 4.178 1.00 70.41 H new ATOM 0 HD22 LEU A 42 24.519 23.366 4.820 1.00 70.41 H new ATOM 0 HD23 LEU A 42 25.665 23.520 3.467 1.00 70.41 H new ATOM 582 N GLU A 43 22.856 19.832 0.816 1.00 22.13 N ATOM 583 CA GLU A 43 23.360 18.750 -0.022 1.00 52.30 C ATOM 584 C GLU A 43 22.801 18.854 -1.438 1.00 53.11 C ATOM 585 O GLU A 43 23.444 18.441 -2.404 1.00 22.12 O ATOM 586 CB GLU A 43 22.995 17.393 0.584 1.00 41.41 C ATOM 587 CG GLU A 43 24.025 16.872 1.572 1.00 34.41 C ATOM 588 CD GLU A 43 25.251 16.298 0.889 1.00 52.01 C ATOM 589 OE1 GLU A 43 25.146 15.199 0.305 1.00 51.52 O ATOM 590 OE2 GLU A 43 26.316 16.949 0.938 1.00 33.25 O ATOM 0 H GLU A 43 22.448 19.527 1.700 1.00 22.13 H new ATOM 0 HA GLU A 43 24.445 18.838 -0.071 1.00 52.30 H new ATOM 0 HB2 GLU A 43 22.031 17.476 1.086 1.00 41.41 H new ATOM 0 HB3 GLU A 43 22.874 16.666 -0.219 1.00 41.41 H new ATOM 0 HG2 GLU A 43 24.329 17.682 2.235 1.00 34.41 H new ATOM 0 HG3 GLU A 43 23.568 16.104 2.196 1.00 34.41 H new ATOM 597 N LEU A 44 21.599 19.408 -1.554 1.00 32.10 N ATOM 598 CA LEU A 44 20.951 19.566 -2.852 1.00 3.24 C ATOM 599 C LEU A 44 21.201 20.960 -3.418 1.00 52.22 C ATOM 600 O LEU A 44 21.255 21.146 -4.633 1.00 44.44 O ATOM 601 CB LEU A 44 19.447 19.316 -2.727 1.00 64.51 C ATOM 602 CG LEU A 44 18.641 20.409 -2.026 1.00 35.22 C ATOM 603 CD1 LEU A 44 18.179 21.457 -3.026 1.00 63.15 C ATOM 604 CD2 LEU A 44 17.450 19.807 -1.294 1.00 73.43 C ATOM 0 H LEU A 44 21.053 19.755 -0.765 1.00 32.10 H new ATOM 0 HA LEU A 44 21.379 18.833 -3.536 1.00 3.24 H new ATOM 0 HB2 LEU A 44 19.038 19.176 -3.728 1.00 64.51 H new ATOM 0 HB3 LEU A 44 19.298 18.380 -2.188 1.00 64.51 H new ATOM 0 HG LEU A 44 19.285 20.895 -1.293 1.00 35.22 H new ATOM 0 HD11 LEU A 44 17.607 22.227 -2.508 1.00 63.15 H new ATOM 0 HD12 LEU A 44 19.047 21.910 -3.505 1.00 63.15 H new ATOM 0 HD13 LEU A 44 17.552 20.986 -3.783 1.00 63.15 H new ATOM 0 HD21 LEU A 44 16.888 20.600 -0.801 1.00 73.43 H new ATOM 0 HD22 LEU A 44 16.805 19.295 -2.008 1.00 73.43 H new ATOM 0 HD23 LEU A 44 17.803 19.095 -0.548 1.00 73.43 H new ATOM 616 N ALA A 45 21.354 21.936 -2.529 1.00 54.11 N ATOM 617 CA ALA A 45 21.602 23.312 -2.940 1.00 51.34 C ATOM 618 C ALA A 45 22.946 23.439 -3.649 1.00 51.44 C ATOM 619 O ALA A 45 23.150 24.348 -4.454 1.00 44.02 O ATOM 620 CB ALA A 45 21.548 24.241 -1.736 1.00 62.22 C ATOM 0 H ALA A 45 21.310 21.799 -1.519 1.00 54.11 H new ATOM 0 HA ALA A 45 20.821 23.601 -3.643 1.00 51.34 H new ATOM 0 HB1 ALA A 45 21.735 25.265 -2.058 1.00 62.22 H new ATOM 0 HB2 ALA A 45 20.563 24.180 -1.273 1.00 62.22 H new ATOM 0 HB3 ALA A 45 22.307 23.944 -1.013 1.00 62.22 H new ATOM 626 N SER A 46 23.860 22.523 -3.345 1.00 15.34 N ATOM 627 CA SER A 46 25.186 22.536 -3.950 1.00 2.03 C ATOM 628 C SER A 46 25.094 22.380 -5.465 1.00 11.05 C ATOM 629 O SER A 46 25.977 22.821 -6.200 1.00 33.02 O ATOM 630 CB SER A 46 26.049 21.417 -3.362 1.00 53.30 C ATOM 631 OG SER A 46 27.419 21.619 -3.662 1.00 31.31 O ATOM 0 H SER A 46 23.706 21.762 -2.683 1.00 15.34 H new ATOM 0 HA SER A 46 25.650 23.497 -3.729 1.00 2.03 H new ATOM 0 HB2 SER A 46 25.912 21.377 -2.281 1.00 53.30 H new ATOM 0 HB3 SER A 46 25.724 20.456 -3.760 1.00 53.30 H new ATOM 0 HG SER A 46 27.949 20.892 -3.274 1.00 31.31 H new ATOM 637 N ALA A 47 24.018 21.749 -5.924 1.00 1.14 N ATOM 638 CA ALA A 47 23.808 21.536 -7.350 1.00 61.01 C ATOM 639 C ALA A 47 22.621 22.348 -7.858 1.00 4.03 C ATOM 640 O ALA A 47 22.704 23.004 -8.896 1.00 11.40 O ATOM 641 CB ALA A 47 23.599 20.057 -7.638 1.00 24.53 C ATOM 0 H ALA A 47 23.278 21.377 -5.328 1.00 1.14 H new ATOM 0 HA ALA A 47 24.700 21.875 -7.877 1.00 61.01 H new ATOM 0 HB1 ALA A 47 23.443 19.913 -8.707 1.00 24.53 H new ATOM 0 HB2 ALA A 47 24.478 19.497 -7.321 1.00 24.53 H new ATOM 0 HB3 ALA A 47 22.725 19.700 -7.093 1.00 24.53 H new ATOM 647 N VAL A 48 21.517 22.299 -7.119 1.00 62.32 N ATOM 648 CA VAL A 48 20.313 23.030 -7.494 1.00 41.35 C ATOM 649 C VAL A 48 20.623 24.500 -7.758 1.00 74.43 C ATOM 650 O VAL A 48 20.202 25.063 -8.769 1.00 74.30 O ATOM 651 CB VAL A 48 19.233 22.933 -6.400 1.00 63.14 C ATOM 652 CG1 VAL A 48 18.145 23.971 -6.630 1.00 23.21 C ATOM 653 CG2 VAL A 48 18.644 21.531 -6.357 1.00 51.25 C ATOM 0 H VAL A 48 21.432 21.760 -6.257 1.00 62.32 H new ATOM 0 HA VAL A 48 19.936 22.571 -8.408 1.00 41.35 H new ATOM 0 HB VAL A 48 19.698 23.137 -5.435 1.00 63.14 H new ATOM 0 HG11 VAL A 48 17.391 23.887 -5.847 1.00 23.21 H new ATOM 0 HG12 VAL A 48 18.583 24.969 -6.606 1.00 23.21 H new ATOM 0 HG13 VAL A 48 17.680 23.802 -7.601 1.00 23.21 H new ATOM 0 HG21 VAL A 48 17.883 21.480 -5.579 1.00 51.25 H new ATOM 0 HG22 VAL A 48 18.193 21.296 -7.321 1.00 51.25 H new ATOM 0 HG23 VAL A 48 19.433 20.811 -6.140 1.00 51.25 H new ATOM 663 N LYS A 49 21.362 25.116 -6.843 1.00 1.42 N ATOM 664 CA LYS A 49 21.731 26.521 -6.976 1.00 30.33 C ATOM 665 C LYS A 49 22.461 26.769 -8.292 1.00 4.24 C ATOM 666 O LYS A 49 22.466 27.886 -8.807 1.00 43.42 O ATOM 667 CB LYS A 49 22.613 26.951 -5.801 1.00 51.04 C ATOM 668 CG LYS A 49 22.874 28.447 -5.753 1.00 21.51 C ATOM 669 CD LYS A 49 21.789 29.177 -4.980 1.00 52.33 C ATOM 670 CE LYS A 49 20.705 29.707 -5.907 1.00 62.10 C ATOM 671 NZ LYS A 49 20.952 31.123 -6.297 1.00 62.41 N ATOM 0 H LYS A 49 21.718 24.665 -6.000 1.00 1.42 H new ATOM 0 HA LYS A 49 20.816 27.114 -6.971 1.00 30.33 H new ATOM 0 HB2 LYS A 49 22.138 26.643 -4.869 1.00 51.04 H new ATOM 0 HB3 LYS A 49 23.566 26.426 -5.862 1.00 51.04 H new ATOM 0 HG2 LYS A 49 23.842 28.634 -5.288 1.00 21.51 H new ATOM 0 HG3 LYS A 49 22.927 28.841 -6.768 1.00 21.51 H new ATOM 0 HD2 LYS A 49 21.345 28.502 -4.248 1.00 52.33 H new ATOM 0 HD3 LYS A 49 22.231 30.004 -4.424 1.00 52.33 H new ATOM 0 HE2 LYS A 49 20.658 29.087 -6.802 1.00 62.10 H new ATOM 0 HE3 LYS A 49 19.736 29.630 -5.414 1.00 62.10 H new ATOM 0 HZ1 LYS A 49 20.329 31.379 -7.089 1.00 62.41 H new ATOM 0 HZ2 LYS A 49 20.756 31.745 -5.487 1.00 62.41 H new ATOM 0 HZ3 LYS A 49 21.944 31.235 -6.587 1.00 62.41 H new ATOM 685 N GLU A 50 23.076 25.720 -8.830 1.00 13.14 N ATOM 686 CA GLU A 50 23.808 25.826 -10.086 1.00 2.21 C ATOM 687 C GLU A 50 22.849 25.906 -11.270 1.00 70.20 C ATOM 688 O GLU A 50 23.269 26.105 -12.409 1.00 63.14 O ATOM 689 CB GLU A 50 24.748 24.631 -10.256 1.00 62.14 C ATOM 690 CG GLU A 50 25.962 24.930 -11.120 1.00 24.24 C ATOM 691 CD GLU A 50 25.700 24.699 -12.595 1.00 42.32 C ATOM 692 OE1 GLU A 50 24.850 23.845 -12.921 1.00 14.21 O ATOM 693 OE2 GLU A 50 26.346 25.374 -13.424 1.00 41.13 O ATOM 0 H GLU A 50 23.082 24.788 -8.416 1.00 13.14 H new ATOM 0 HA GLU A 50 24.398 26.742 -10.057 1.00 2.21 H new ATOM 0 HB2 GLU A 50 25.084 24.301 -9.273 1.00 62.14 H new ATOM 0 HB3 GLU A 50 24.193 23.803 -10.697 1.00 62.14 H new ATOM 0 HG2 GLU A 50 26.266 25.965 -10.967 1.00 24.24 H new ATOM 0 HG3 GLU A 50 26.794 24.303 -10.800 1.00 24.24 H new ATOM 700 N GLN A 51 21.559 25.748 -10.991 1.00 1.23 N ATOM 701 CA GLN A 51 20.540 25.801 -12.033 1.00 24.24 C ATOM 702 C GLN A 51 20.028 27.225 -12.222 1.00 22.14 C ATOM 703 O GLN A 51 20.189 27.817 -13.289 1.00 62.43 O ATOM 704 CB GLN A 51 19.377 24.870 -11.686 1.00 24.33 C ATOM 705 CG GLN A 51 18.964 23.960 -12.831 1.00 51.03 C ATOM 706 CD GLN A 51 19.512 22.554 -12.687 1.00 33.11 C ATOM 707 OE1 GLN A 51 20.181 22.041 -13.584 1.00 73.32 O ATOM 708 NE2 GLN A 51 19.230 21.922 -11.553 1.00 43.13 N ATOM 0 H GLN A 51 21.195 25.582 -10.053 1.00 1.23 H new ATOM 0 HA GLN A 51 20.994 25.471 -12.967 1.00 24.24 H new ATOM 0 HB2 GLN A 51 19.656 24.258 -10.829 1.00 24.33 H new ATOM 0 HB3 GLN A 51 18.520 25.471 -11.383 1.00 24.33 H new ATOM 0 HG2 GLN A 51 17.876 23.918 -12.882 1.00 51.03 H new ATOM 0 HG3 GLN A 51 19.311 24.386 -13.772 1.00 51.03 H new ATOM 0 HE21 GLN A 51 18.672 22.385 -10.836 1.00 43.13 H new ATOM 0 HE22 GLN A 51 19.572 20.973 -11.399 1.00 43.13 H new ATOM 717 N TYR A 52 19.411 27.769 -11.179 1.00 54.22 N ATOM 718 CA TYR A 52 18.872 29.123 -11.231 1.00 41.23 C ATOM 719 C TYR A 52 19.573 30.028 -10.222 1.00 63.35 C ATOM 720 O TYR A 52 19.032 30.361 -9.168 1.00 44.40 O ATOM 721 CB TYR A 52 17.367 29.107 -10.959 1.00 21.24 C ATOM 722 CG TYR A 52 16.915 27.925 -10.130 1.00 54.44 C ATOM 723 CD1 TYR A 52 17.383 27.739 -8.836 1.00 22.02 C ATOM 724 CD2 TYR A 52 16.018 26.996 -10.643 1.00 35.04 C ATOM 725 CE1 TYR A 52 16.973 26.661 -8.076 1.00 60.41 C ATOM 726 CE2 TYR A 52 15.601 25.915 -9.889 1.00 53.45 C ATOM 727 CZ TYR A 52 16.082 25.752 -8.607 1.00 74.21 C ATOM 728 OH TYR A 52 15.669 24.677 -7.853 1.00 45.10 O ATOM 0 H TYR A 52 19.272 27.293 -10.287 1.00 54.22 H new ATOM 0 HA TYR A 52 19.049 29.518 -12.231 1.00 41.23 H new ATOM 0 HB2 TYR A 52 17.089 30.028 -10.446 1.00 21.24 H new ATOM 0 HB3 TYR A 52 16.834 29.098 -11.910 1.00 21.24 H new ATOM 0 HD1 TYR A 52 18.080 28.450 -8.416 1.00 22.02 H new ATOM 0 HD2 TYR A 52 15.640 27.121 -11.647 1.00 35.04 H new ATOM 0 HE1 TYR A 52 17.348 26.531 -7.072 1.00 60.41 H new ATOM 0 HE2 TYR A 52 14.902 25.202 -10.302 1.00 53.45 H new ATOM 0 HH TYR A 52 15.770 23.854 -8.375 1.00 45.10 H new ATOM 738 N PRO A 53 20.808 30.435 -10.553 1.00 13.31 N ATOM 739 CA PRO A 53 21.611 31.308 -9.691 1.00 35.32 C ATOM 740 C PRO A 53 21.054 32.726 -9.622 1.00 64.14 C ATOM 741 O PRO A 53 21.498 33.539 -8.812 1.00 62.34 O ATOM 742 CB PRO A 53 22.985 31.304 -10.364 1.00 41.32 C ATOM 743 CG PRO A 53 22.706 30.994 -11.794 1.00 55.33 C ATOM 744 CD PRO A 53 21.514 30.076 -11.794 1.00 5.41 C ATOM 0 HA PRO A 53 21.627 30.959 -8.658 1.00 35.32 H new ATOM 0 HB2 PRO A 53 23.481 32.269 -10.258 1.00 41.32 H new ATOM 0 HB3 PRO A 53 23.642 30.557 -9.918 1.00 41.32 H new ATOM 0 HG2 PRO A 53 22.498 31.904 -12.357 1.00 55.33 H new ATOM 0 HG3 PRO A 53 23.566 30.517 -12.265 1.00 55.33 H new ATOM 0 HD2 PRO A 53 20.887 30.231 -12.672 1.00 5.41 H new ATOM 0 HD3 PRO A 53 21.814 29.028 -11.797 1.00 5.41 H new ATOM 752 N GLY A 54 20.079 33.016 -10.478 1.00 42.53 N ATOM 753 CA GLY A 54 19.478 34.337 -10.498 1.00 4.32 C ATOM 754 C GLY A 54 18.403 34.501 -9.442 1.00 23.12 C ATOM 755 O GLY A 54 18.199 35.597 -8.919 1.00 51.15 O ATOM 0 H GLY A 54 19.695 32.360 -11.158 1.00 42.53 H new ATOM 0 HA2 GLY A 54 20.253 35.088 -10.343 1.00 4.32 H new ATOM 0 HA3 GLY A 54 19.047 34.522 -11.482 1.00 4.32 H new ATOM 759 N ILE A 55 17.714 33.409 -9.128 1.00 12.42 N ATOM 760 CA ILE A 55 16.654 33.437 -8.128 1.00 13.52 C ATOM 761 C ILE A 55 17.222 33.654 -6.730 1.00 4.53 C ATOM 762 O ILE A 55 18.405 33.954 -6.570 1.00 41.42 O ATOM 763 CB ILE A 55 15.834 32.134 -8.140 1.00 31.34 C ATOM 764 CG1 ILE A 55 16.673 30.973 -7.603 1.00 25.24 C ATOM 765 CG2 ILE A 55 15.340 31.831 -9.547 1.00 3.24 C ATOM 766 CD1 ILE A 55 16.150 30.399 -6.305 1.00 24.44 C ATOM 0 H ILE A 55 17.871 32.494 -9.551 1.00 12.42 H new ATOM 0 HA ILE A 55 16.000 34.270 -8.385 1.00 13.52 H new ATOM 0 HB ILE A 55 14.967 32.262 -7.492 1.00 31.34 H new ATOM 0 HG12 ILE A 55 16.707 30.183 -8.353 1.00 25.24 H new ATOM 0 HG13 ILE A 55 17.697 31.314 -7.453 1.00 25.24 H new ATOM 0 HG21 ILE A 55 14.762 30.907 -9.539 1.00 3.24 H new ATOM 0 HG22 ILE A 55 14.710 32.650 -9.896 1.00 3.24 H new ATOM 0 HG23 ILE A 55 16.193 31.719 -10.216 1.00 3.24 H new ATOM 0 HD11 ILE A 55 16.794 29.580 -5.984 1.00 24.44 H new ATOM 0 HD12 ILE A 55 16.142 31.176 -5.541 1.00 24.44 H new ATOM 0 HD13 ILE A 55 15.137 30.027 -6.454 1.00 24.44 H new ATOM 778 N GLU A 56 16.372 33.499 -5.720 1.00 31.11 N ATOM 779 CA GLU A 56 16.791 33.677 -4.335 1.00 11.03 C ATOM 780 C GLU A 56 16.139 32.635 -3.431 1.00 34.04 C ATOM 781 O GLU A 56 14.943 32.706 -3.147 1.00 35.22 O ATOM 782 CB GLU A 56 16.436 35.084 -3.848 1.00 65.22 C ATOM 783 CG GLU A 56 17.606 36.053 -3.885 1.00 52.34 C ATOM 784 CD GLU A 56 17.163 37.496 -4.033 1.00 51.12 C ATOM 785 OE1 GLU A 56 16.088 37.843 -3.501 1.00 10.55 O ATOM 786 OE2 GLU A 56 17.890 38.277 -4.681 1.00 43.22 O ATOM 0 H GLU A 56 15.389 33.251 -5.835 1.00 31.11 H new ATOM 0 HA GLU A 56 17.872 33.547 -4.290 1.00 11.03 H new ATOM 0 HB2 GLU A 56 15.628 35.479 -4.463 1.00 65.22 H new ATOM 0 HB3 GLU A 56 16.058 35.022 -2.827 1.00 65.22 H new ATOM 0 HG2 GLU A 56 18.189 35.948 -2.970 1.00 52.34 H new ATOM 0 HG3 GLU A 56 18.263 35.792 -4.714 1.00 52.34 H new ATOM 793 N ILE A 57 16.933 31.669 -2.983 1.00 21.25 N ATOM 794 CA ILE A 57 16.434 30.613 -2.111 1.00 32.32 C ATOM 795 C ILE A 57 17.040 30.719 -0.716 1.00 23.23 C ATOM 796 O ILE A 57 18.243 30.529 -0.535 1.00 74.14 O ATOM 797 CB ILE A 57 16.738 29.217 -2.686 1.00 24.11 C ATOM 798 CG1 ILE A 57 16.478 28.139 -1.632 1.00 31.13 C ATOM 799 CG2 ILE A 57 18.177 29.149 -3.177 1.00 33.30 C ATOM 800 CD1 ILE A 57 15.061 28.142 -1.101 1.00 44.42 C ATOM 0 H ILE A 57 17.925 31.596 -3.209 1.00 21.25 H new ATOM 0 HA ILE A 57 15.354 30.743 -2.046 1.00 32.32 H new ATOM 0 HB ILE A 57 16.076 29.037 -3.533 1.00 24.11 H new ATOM 0 HG12 ILE A 57 16.694 27.161 -2.063 1.00 31.13 H new ATOM 0 HG13 ILE A 57 17.169 28.281 -0.801 1.00 31.13 H new ATOM 0 HG21 ILE A 57 18.377 28.156 -3.581 1.00 33.30 H new ATOM 0 HG22 ILE A 57 18.331 29.895 -3.956 1.00 33.30 H new ATOM 0 HG23 ILE A 57 18.855 29.346 -2.346 1.00 33.30 H new ATOM 0 HD11 ILE A 57 14.949 27.352 -0.358 1.00 44.42 H new ATOM 0 HD12 ILE A 57 14.847 29.106 -0.640 1.00 44.42 H new ATOM 0 HD13 ILE A 57 14.365 27.970 -1.922 1.00 44.42 H new ATOM 812 N GLU A 58 16.199 31.022 0.268 1.00 30.40 N ATOM 813 CA GLU A 58 16.653 31.152 1.648 1.00 71.44 C ATOM 814 C GLU A 58 16.102 30.020 2.511 1.00 50.13 C ATOM 815 O GLU A 58 15.409 29.130 2.018 1.00 54.41 O ATOM 816 CB GLU A 58 16.224 32.503 2.224 1.00 70.41 C ATOM 817 CG GLU A 58 16.966 33.684 1.623 1.00 43.24 C ATOM 818 CD GLU A 58 16.218 34.992 1.795 1.00 64.00 C ATOM 819 OE1 GLU A 58 15.005 35.026 1.501 1.00 22.53 O ATOM 820 OE2 GLU A 58 16.847 35.982 2.224 1.00 2.11 O ATOM 0 H GLU A 58 15.200 31.182 0.135 1.00 30.40 H new ATOM 0 HA GLU A 58 17.741 31.092 1.653 1.00 71.44 H new ATOM 0 HB2 GLU A 58 15.155 32.635 2.060 1.00 70.41 H new ATOM 0 HB3 GLU A 58 16.383 32.496 3.302 1.00 70.41 H new ATOM 0 HG2 GLU A 58 17.948 33.767 2.090 1.00 43.24 H new ATOM 0 HG3 GLU A 58 17.132 33.502 0.561 1.00 43.24 H new ATOM 827 N SER A 59 16.416 30.061 3.801 1.00 4.45 N ATOM 828 CA SER A 59 15.957 29.038 4.733 1.00 22.02 C ATOM 829 C SER A 59 15.661 29.643 6.102 1.00 2.01 C ATOM 830 O SER A 59 16.543 30.212 6.745 1.00 3.13 O ATOM 831 CB SER A 59 17.006 27.933 4.868 1.00 65.24 C ATOM 832 OG SER A 59 18.318 28.464 4.798 1.00 64.13 O ATOM 0 H SER A 59 16.987 30.792 4.225 1.00 4.45 H new ATOM 0 HA SER A 59 15.036 28.609 4.338 1.00 22.02 H new ATOM 0 HB2 SER A 59 16.871 27.413 5.816 1.00 65.24 H new ATOM 0 HB3 SER A 59 16.866 27.196 4.077 1.00 65.24 H new ATOM 0 HG SER A 59 18.969 27.751 4.968 1.00 64.13 H new ATOM 838 N ARG A 60 14.413 29.516 6.541 1.00 22.40 N ATOM 839 CA ARG A 60 13.999 30.050 7.833 1.00 42.44 C ATOM 840 C ARG A 60 13.439 28.946 8.724 1.00 24.22 C ATOM 841 O ARG A 60 13.313 27.796 8.301 1.00 23.23 O ATOM 842 CB ARG A 60 12.950 31.147 7.642 1.00 41.33 C ATOM 843 CG ARG A 60 13.193 32.378 8.500 1.00 53.11 C ATOM 844 CD ARG A 60 14.492 33.073 8.123 1.00 21.51 C ATOM 845 NE ARG A 60 14.587 34.409 8.705 1.00 62.32 N ATOM 846 CZ ARG A 60 15.727 35.082 8.817 1.00 32.25 C ATOM 847 NH1 ARG A 60 16.862 34.546 8.390 1.00 11.31 N ATOM 848 NH2 ARG A 60 15.732 36.294 9.358 1.00 24.42 N ATOM 0 H ARG A 60 13.671 29.048 6.021 1.00 22.40 H new ATOM 0 HA ARG A 60 14.876 30.476 8.320 1.00 42.44 H new ATOM 0 HB2 ARG A 60 12.933 31.443 6.593 1.00 41.33 H new ATOM 0 HB3 ARG A 60 11.966 30.741 7.874 1.00 41.33 H new ATOM 0 HG2 ARG A 60 12.361 33.073 8.385 1.00 53.11 H new ATOM 0 HG3 ARG A 60 13.225 32.090 9.551 1.00 53.11 H new ATOM 0 HD2 ARG A 60 15.336 32.471 8.459 1.00 21.51 H new ATOM 0 HD3 ARG A 60 14.563 33.145 7.038 1.00 21.51 H new ATOM 0 HE ARG A 60 13.732 34.849 9.044 1.00 62.32 H new ATOM 0 HH11 ARG A 60 16.861 33.615 7.974 1.00 11.31 H new ATOM 0 HH12 ARG A 60 17.736 35.065 8.477 1.00 11.31 H new ATOM 0 HH21 ARG A 60 14.861 36.709 9.688 1.00 24.42 H new ATOM 0 HH22 ARG A 60 16.607 36.811 9.444 1.00 24.42 H new ATOM 862 N LEU A 61 13.106 29.302 9.960 1.00 51.23 N ATOM 863 CA LEU A 61 12.560 28.342 10.912 1.00 32.50 C ATOM 864 C LEU A 61 11.101 28.029 10.594 1.00 22.32 C ATOM 865 O LEU A 61 10.441 28.770 9.868 1.00 14.31 O ATOM 866 CB LEU A 61 12.678 28.883 12.338 1.00 42.23 C ATOM 867 CG LEU A 61 12.824 27.837 13.443 1.00 3.13 C ATOM 868 CD1 LEU A 61 14.098 27.030 13.249 1.00 24.23 C ATOM 869 CD2 LEU A 61 12.815 28.503 14.812 1.00 65.43 C ATOM 0 H LEU A 61 13.205 30.249 10.326 1.00 51.23 H new ATOM 0 HA LEU A 61 13.136 27.420 10.831 1.00 32.50 H new ATOM 0 HB2 LEU A 61 13.538 29.551 12.382 1.00 42.23 H new ATOM 0 HB3 LEU A 61 11.795 29.486 12.551 1.00 42.23 H new ATOM 0 HG LEU A 61 11.975 27.156 13.387 1.00 3.13 H new ATOM 0 HD11 LEU A 61 14.185 26.290 14.045 1.00 24.23 H new ATOM 0 HD12 LEU A 61 14.064 26.523 12.285 1.00 24.23 H new ATOM 0 HD13 LEU A 61 14.959 27.697 13.278 1.00 24.23 H new ATOM 0 HD21 LEU A 61 12.920 27.744 15.587 1.00 65.43 H new ATOM 0 HD22 LEU A 61 13.644 29.207 14.880 1.00 65.43 H new ATOM 0 HD23 LEU A 61 11.874 29.036 14.951 1.00 65.43 H new ATOM 881 N GLY A 62 10.604 26.925 11.145 1.00 11.53 N ATOM 882 CA GLY A 62 9.226 26.535 10.911 1.00 41.14 C ATOM 883 C GLY A 62 8.451 26.339 12.199 1.00 45.23 C ATOM 884 O GLY A 62 7.329 26.824 12.336 1.00 30.41 O ATOM 0 H GLY A 62 11.131 26.294 11.749 1.00 11.53 H new ATOM 0 HA2 GLY A 62 8.734 27.297 10.307 1.00 41.14 H new ATOM 0 HA3 GLY A 62 9.207 25.610 10.335 1.00 41.14 H new ATOM 888 N GLY A 63 9.052 25.625 13.146 1.00 73.42 N ATOM 889 CA GLY A 63 8.395 25.377 14.416 1.00 24.32 C ATOM 890 C GLY A 63 8.944 24.153 15.123 1.00 74.11 C ATOM 891 O GLY A 63 9.503 24.255 16.215 1.00 1.23 O ATOM 0 H GLY A 63 9.981 25.214 13.056 1.00 73.42 H new ATOM 0 HA2 GLY A 63 8.514 26.249 15.060 1.00 24.32 H new ATOM 0 HA3 GLY A 63 7.326 25.248 14.249 1.00 24.32 H new ATOM 895 N THR A 64 8.782 22.990 14.500 1.00 62.50 N ATOM 896 CA THR A 64 9.262 21.740 15.077 1.00 5.41 C ATOM 897 C THR A 64 9.123 20.588 14.089 1.00 53.44 C ATOM 898 O THR A 64 8.018 20.116 13.823 1.00 23.00 O ATOM 899 CB THR A 64 8.500 21.389 16.369 1.00 65.22 C ATOM 900 OG1 THR A 64 7.294 22.155 16.450 1.00 55.24 O ATOM 901 CG2 THR A 64 9.361 21.657 17.595 1.00 55.15 C ATOM 0 H THR A 64 8.322 22.888 13.595 1.00 62.50 H new ATOM 0 HA THR A 64 10.316 21.886 15.314 1.00 5.41 H new ATOM 0 HB THR A 64 8.254 20.327 16.342 1.00 65.22 H new ATOM 0 HG1 THR A 64 6.815 21.925 17.273 1.00 55.24 H new ATOM 0 HG21 THR A 64 8.802 21.402 18.495 1.00 55.15 H new ATOM 0 HG22 THR A 64 10.265 21.050 17.545 1.00 55.15 H new ATOM 0 HG23 THR A 64 9.634 22.712 17.624 1.00 55.15 H new ATOM 909 N GLY A 65 10.251 20.140 13.546 1.00 32.43 N ATOM 910 CA GLY A 65 10.232 19.045 12.593 1.00 14.42 C ATOM 911 C GLY A 65 9.234 19.269 11.474 1.00 62.01 C ATOM 912 O GLY A 65 8.343 18.449 11.255 1.00 41.03 O ATOM 0 H GLY A 65 11.177 20.516 13.749 1.00 32.43 H new ATOM 0 HA2 GLY A 65 11.228 18.920 12.168 1.00 14.42 H new ATOM 0 HA3 GLY A 65 9.988 18.119 13.113 1.00 14.42 H new ATOM 916 N ALA A 66 9.383 20.383 10.765 1.00 53.12 N ATOM 917 CA ALA A 66 8.488 20.712 9.662 1.00 32.22 C ATOM 918 C ALA A 66 9.259 20.860 8.355 1.00 73.11 C ATOM 919 O ALA A 66 10.489 20.898 8.349 1.00 3.11 O ATOM 920 CB ALA A 66 7.717 21.987 9.970 1.00 2.12 C ATOM 0 H ALA A 66 10.115 21.073 10.935 1.00 53.12 H new ATOM 0 HA ALA A 66 7.780 19.892 9.544 1.00 32.22 H new ATOM 0 HB1 ALA A 66 7.053 22.221 9.138 1.00 2.12 H new ATOM 0 HB2 ALA A 66 7.128 21.846 10.876 1.00 2.12 H new ATOM 0 HB3 ALA A 66 8.417 22.809 10.117 1.00 2.12 H new ATOM 926 N PHE A 67 8.528 20.942 7.248 1.00 15.33 N ATOM 927 CA PHE A 67 9.143 21.084 5.934 1.00 42.40 C ATOM 928 C PHE A 67 8.219 21.833 4.978 1.00 14.14 C ATOM 929 O PHE A 67 7.968 21.382 3.861 1.00 13.33 O ATOM 930 CB PHE A 67 9.487 19.710 5.357 1.00 73.32 C ATOM 931 CG PHE A 67 10.555 19.752 4.302 1.00 5.24 C ATOM 932 CD1 PHE A 67 11.889 19.887 4.654 1.00 51.43 C ATOM 933 CD2 PHE A 67 10.227 19.658 2.960 1.00 74.53 C ATOM 934 CE1 PHE A 67 12.875 19.927 3.686 1.00 70.41 C ATOM 935 CE2 PHE A 67 11.208 19.696 1.988 1.00 63.44 C ATOM 936 CZ PHE A 67 12.534 19.832 2.351 1.00 31.40 C ATOM 0 H PHE A 67 7.509 20.912 7.235 1.00 15.33 H new ATOM 0 HA PHE A 67 10.060 21.661 6.051 1.00 42.40 H new ATOM 0 HB2 PHE A 67 9.813 19.056 6.166 1.00 73.32 H new ATOM 0 HB3 PHE A 67 8.586 19.267 4.933 1.00 73.32 H new ATOM 0 HD1 PHE A 67 12.161 19.962 5.696 1.00 51.43 H new ATOM 0 HD2 PHE A 67 9.192 19.554 2.670 1.00 74.53 H new ATOM 0 HE1 PHE A 67 13.911 20.032 3.973 1.00 70.41 H new ATOM 0 HE2 PHE A 67 10.938 19.619 0.945 1.00 63.44 H new ATOM 0 HZ PHE A 67 13.302 19.864 1.593 1.00 31.40 H new ATOM 946 N GLU A 68 7.715 22.979 5.427 1.00 21.45 N ATOM 947 CA GLU A 68 6.817 23.789 4.613 1.00 62.10 C ATOM 948 C GLU A 68 7.580 24.483 3.488 1.00 21.41 C ATOM 949 O GLU A 68 8.410 25.358 3.735 1.00 63.01 O ATOM 950 CB GLU A 68 6.107 24.830 5.480 1.00 55.41 C ATOM 951 CG GLU A 68 5.065 24.237 6.413 1.00 34.21 C ATOM 952 CD GLU A 68 4.197 25.295 7.067 1.00 74.44 C ATOM 953 OE1 GLU A 68 3.448 25.981 6.340 1.00 61.30 O ATOM 954 OE2 GLU A 68 4.266 25.436 8.306 1.00 62.44 O ATOM 0 H GLU A 68 7.914 23.367 6.349 1.00 21.45 H new ATOM 0 HA GLU A 68 6.073 23.127 4.170 1.00 62.10 H new ATOM 0 HB2 GLU A 68 6.850 25.365 6.072 1.00 55.41 H new ATOM 0 HB3 GLU A 68 5.627 25.563 4.832 1.00 55.41 H new ATOM 0 HG2 GLU A 68 4.432 23.548 5.854 1.00 34.21 H new ATOM 0 HG3 GLU A 68 5.565 23.654 7.186 1.00 34.21 H new ATOM 961 N ILE A 69 7.293 24.085 2.253 1.00 31.34 N ATOM 962 CA ILE A 69 7.951 24.668 1.091 1.00 70.12 C ATOM 963 C ILE A 69 7.214 25.913 0.609 1.00 1.11 C ATOM 964 O ILE A 69 5.988 25.918 0.504 1.00 2.41 O ATOM 965 CB ILE A 69 8.043 23.659 -0.069 1.00 63.10 C ATOM 966 CG1 ILE A 69 8.821 22.416 0.368 1.00 31.23 C ATOM 967 CG2 ILE A 69 8.701 24.303 -1.280 1.00 60.13 C ATOM 968 CD1 ILE A 69 8.686 21.251 -0.588 1.00 13.34 C ATOM 0 H ILE A 69 6.609 23.361 2.032 1.00 31.34 H new ATOM 0 HA ILE A 69 8.958 24.943 1.404 1.00 70.12 H new ATOM 0 HB ILE A 69 7.034 23.354 -0.347 1.00 63.10 H new ATOM 0 HG12 ILE A 69 9.875 22.674 0.467 1.00 31.23 H new ATOM 0 HG13 ILE A 69 8.474 22.108 1.354 1.00 31.23 H new ATOM 0 HG21 ILE A 69 8.759 23.578 -2.091 1.00 60.13 H new ATOM 0 HG22 ILE A 69 8.111 25.161 -1.602 1.00 60.13 H new ATOM 0 HG23 ILE A 69 9.706 24.633 -1.016 1.00 60.13 H new ATOM 0 HD11 ILE A 69 9.263 20.405 -0.215 1.00 13.34 H new ATOM 0 HD12 ILE A 69 7.637 20.967 -0.669 1.00 13.34 H new ATOM 0 HD13 ILE A 69 9.060 21.541 -1.570 1.00 13.34 H new ATOM 980 N GLU A 70 7.971 26.966 0.316 1.00 21.12 N ATOM 981 CA GLU A 70 7.389 28.217 -0.156 1.00 20.23 C ATOM 982 C GLU A 70 8.065 28.680 -1.443 1.00 60.11 C ATOM 983 O GLU A 70 9.187 29.187 -1.420 1.00 31.14 O ATOM 984 CB GLU A 70 7.514 29.300 0.917 1.00 4.34 C ATOM 985 CG GLU A 70 6.810 28.953 2.218 1.00 55.31 C ATOM 986 CD GLU A 70 6.780 30.114 3.193 1.00 2.12 C ATOM 987 OE1 GLU A 70 7.788 30.848 3.271 1.00 14.21 O ATOM 988 OE2 GLU A 70 5.751 30.288 3.878 1.00 0.24 O ATOM 0 H GLU A 70 8.988 26.978 0.397 1.00 21.12 H new ATOM 0 HA GLU A 70 6.333 28.042 -0.363 1.00 20.23 H new ATOM 0 HB2 GLU A 70 8.570 29.477 1.121 1.00 4.34 H new ATOM 0 HB3 GLU A 70 7.104 30.233 0.529 1.00 4.34 H new ATOM 0 HG2 GLU A 70 5.789 28.639 2.002 1.00 55.31 H new ATOM 0 HG3 GLU A 70 7.312 28.105 2.684 1.00 55.31 H new ATOM 995 N ILE A 71 7.375 28.501 -2.564 1.00 54.12 N ATOM 996 CA ILE A 71 7.907 28.901 -3.861 1.00 23.33 C ATOM 997 C ILE A 71 7.949 30.419 -3.994 1.00 12.33 C ATOM 998 O ILE A 71 8.754 30.965 -4.747 1.00 74.45 O ATOM 999 CB ILE A 71 7.072 28.318 -5.016 1.00 43.13 C ATOM 1000 CG1 ILE A 71 7.769 28.570 -6.355 1.00 55.32 C ATOM 1001 CG2 ILE A 71 5.676 28.922 -5.017 1.00 73.33 C ATOM 1002 CD1 ILE A 71 9.117 27.895 -6.471 1.00 43.54 C ATOM 0 H ILE A 71 6.446 28.081 -2.600 1.00 54.12 H new ATOM 0 HA ILE A 71 8.921 28.506 -3.921 1.00 23.33 H new ATOM 0 HB ILE A 71 6.981 27.241 -4.872 1.00 43.13 H new ATOM 0 HG12 ILE A 71 7.126 28.219 -7.162 1.00 55.32 H new ATOM 0 HG13 ILE A 71 7.896 29.644 -6.493 1.00 55.32 H new ATOM 0 HG21 ILE A 71 5.098 28.500 -5.839 1.00 73.33 H new ATOM 0 HG22 ILE A 71 5.181 28.697 -4.072 1.00 73.33 H new ATOM 0 HG23 ILE A 71 5.747 30.003 -5.141 1.00 73.33 H new ATOM 0 HD11 ILE A 71 9.552 28.117 -7.445 1.00 43.54 H new ATOM 0 HD12 ILE A 71 9.777 28.264 -5.686 1.00 43.54 H new ATOM 0 HD13 ILE A 71 8.994 26.817 -6.366 1.00 43.54 H new ATOM 1014 N ASN A 72 7.076 31.097 -3.254 1.00 64.43 N ATOM 1015 CA ASN A 72 7.014 32.553 -3.288 1.00 40.34 C ATOM 1016 C ASN A 72 6.831 33.123 -1.885 1.00 31.10 C ATOM 1017 O ASN A 72 6.148 34.129 -1.696 1.00 62.31 O ATOM 1018 CB ASN A 72 5.868 33.014 -4.192 1.00 3.44 C ATOM 1019 CG ASN A 72 6.317 33.247 -5.622 1.00 31.45 C ATOM 1020 OD1 ASN A 72 6.332 34.379 -6.103 1.00 55.51 O ATOM 1021 ND2 ASN A 72 6.685 32.171 -6.308 1.00 5.12 N ATOM 0 H ASN A 72 6.403 30.661 -2.624 1.00 64.43 H new ATOM 0 HA ASN A 72 7.957 32.923 -3.690 1.00 40.34 H new ATOM 0 HB2 ASN A 72 5.076 32.265 -4.180 1.00 3.44 H new ATOM 0 HB3 ASN A 72 5.442 33.935 -3.793 1.00 3.44 H new ATOM 0 HD21 ASN A 72 6.996 32.264 -7.275 1.00 5.12 H new ATOM 0 HD22 ASN A 72 6.656 31.251 -5.868 1.00 5.12 H new ATOM 1028 N GLY A 73 7.447 32.472 -0.903 1.00 20.03 N ATOM 1029 CA GLY A 73 7.340 32.928 0.471 1.00 43.22 C ATOM 1030 C GLY A 73 6.079 32.432 1.150 1.00 3.21 C ATOM 1031 O GLY A 73 5.882 32.654 2.344 1.00 4.44 O ATOM 0 H GLY A 73 8.018 31.637 -1.034 1.00 20.03 H new ATOM 0 HA2 GLY A 73 8.210 32.587 1.033 1.00 43.22 H new ATOM 0 HA3 GLY A 73 7.355 34.018 0.491 1.00 43.22 H new ATOM 1035 N GLN A 74 5.223 31.760 0.387 1.00 1.32 N ATOM 1036 CA GLN A 74 3.973 31.234 0.923 1.00 4.12 C ATOM 1037 C GLN A 74 3.905 29.720 0.757 1.00 32.42 C ATOM 1038 O GLN A 74 4.444 29.164 -0.201 1.00 1.40 O ATOM 1039 CB GLN A 74 2.779 31.890 0.228 1.00 63.13 C ATOM 1040 CG GLN A 74 2.536 33.326 0.662 1.00 41.44 C ATOM 1041 CD GLN A 74 2.426 33.471 2.167 1.00 62.33 C ATOM 1042 OE1 GLN A 74 1.464 33.005 2.778 1.00 52.21 O ATOM 1043 NE2 GLN A 74 3.414 34.118 2.773 1.00 1.14 N ATOM 0 H GLN A 74 5.372 31.567 -0.603 1.00 1.32 H new ATOM 0 HA GLN A 74 3.937 31.467 1.987 1.00 4.12 H new ATOM 0 HB2 GLN A 74 2.939 31.867 -0.850 1.00 63.13 H new ATOM 0 HB3 GLN A 74 1.884 31.302 0.430 1.00 63.13 H new ATOM 0 HG2 GLN A 74 3.350 33.954 0.299 1.00 41.44 H new ATOM 0 HG3 GLN A 74 1.620 33.692 0.198 1.00 41.44 H new ATOM 0 HE21 GLN A 74 4.192 34.488 2.227 1.00 1.14 H new ATOM 0 HE22 GLN A 74 3.395 34.245 3.785 1.00 1.14 H new ATOM 1052 N LEU A 75 3.239 29.056 1.696 1.00 51.21 N ATOM 1053 CA LEU A 75 3.100 27.605 1.654 1.00 33.40 C ATOM 1054 C LEU A 75 2.457 27.157 0.345 1.00 34.34 C ATOM 1055 O LEU A 75 1.340 27.561 0.020 1.00 44.24 O ATOM 1056 CB LEU A 75 2.264 27.118 2.839 1.00 15.31 C ATOM 1057 CG LEU A 75 2.156 25.602 3.008 1.00 42.43 C ATOM 1058 CD1 LEU A 75 3.502 25.012 3.401 1.00 15.41 C ATOM 1059 CD2 LEU A 75 1.096 25.255 4.043 1.00 61.45 C ATOM 0 H LEU A 75 2.787 29.500 2.495 1.00 51.21 H new ATOM 0 HA LEU A 75 4.096 27.168 1.716 1.00 33.40 H new ATOM 0 HB2 LEU A 75 2.687 27.536 3.752 1.00 15.31 H new ATOM 0 HB3 LEU A 75 1.258 27.525 2.739 1.00 15.31 H new ATOM 0 HG LEU A 75 1.858 25.169 2.053 1.00 42.43 H new ATOM 0 HD11 LEU A 75 3.406 23.932 3.517 1.00 15.41 H new ATOM 0 HD12 LEU A 75 4.235 25.230 2.625 1.00 15.41 H new ATOM 0 HD13 LEU A 75 3.830 25.450 4.343 1.00 15.41 H new ATOM 0 HD21 LEU A 75 1.033 24.172 4.150 1.00 61.45 H new ATOM 0 HD22 LEU A 75 1.364 25.700 5.001 1.00 61.45 H new ATOM 0 HD23 LEU A 75 0.131 25.644 3.720 1.00 61.45 H new ATOM 1071 N VAL A 76 3.168 26.317 -0.401 1.00 13.15 N ATOM 1072 CA VAL A 76 2.665 25.811 -1.672 1.00 42.12 C ATOM 1073 C VAL A 76 2.606 24.288 -1.673 1.00 33.34 C ATOM 1074 O VAL A 76 1.788 23.688 -2.371 1.00 23.31 O ATOM 1075 CB VAL A 76 3.542 26.280 -2.849 1.00 31.13 C ATOM 1076 CG1 VAL A 76 3.080 25.638 -4.148 1.00 54.41 C ATOM 1077 CG2 VAL A 76 3.521 27.797 -2.957 1.00 10.25 C ATOM 0 H VAL A 76 4.094 25.973 -0.147 1.00 13.15 H new ATOM 0 HA VAL A 76 1.659 26.211 -1.796 1.00 42.12 H new ATOM 0 HB VAL A 76 4.569 25.966 -2.662 1.00 31.13 H new ATOM 0 HG11 VAL A 76 3.711 25.981 -4.968 1.00 54.41 H new ATOM 0 HG12 VAL A 76 3.152 24.554 -4.064 1.00 54.41 H new ATOM 0 HG13 VAL A 76 2.045 25.919 -4.345 1.00 54.41 H new ATOM 0 HG21 VAL A 76 4.146 28.111 -3.793 1.00 10.25 H new ATOM 0 HG22 VAL A 76 2.498 28.136 -3.121 1.00 10.25 H new ATOM 0 HG23 VAL A 76 3.904 28.233 -2.034 1.00 10.25 H new ATOM 1087 N PHE A 77 3.477 23.667 -0.884 1.00 62.14 N ATOM 1088 CA PHE A 77 3.525 22.212 -0.794 1.00 15.23 C ATOM 1089 C PHE A 77 4.148 21.770 0.527 1.00 60.31 C ATOM 1090 O PHE A 77 5.349 21.933 0.744 1.00 35.14 O ATOM 1091 CB PHE A 77 4.319 21.633 -1.966 1.00 25.55 C ATOM 1092 CG PHE A 77 3.500 21.443 -3.210 1.00 44.43 C ATOM 1093 CD1 PHE A 77 2.488 20.498 -3.252 1.00 40.32 C ATOM 1094 CD2 PHE A 77 3.742 22.211 -4.338 1.00 65.11 C ATOM 1095 CE1 PHE A 77 1.733 20.322 -4.397 1.00 25.34 C ATOM 1096 CE2 PHE A 77 2.991 22.039 -5.485 1.00 51.13 C ATOM 1097 CZ PHE A 77 1.984 21.094 -5.514 1.00 63.11 C ATOM 0 H PHE A 77 4.159 24.149 -0.298 1.00 62.14 H new ATOM 0 HA PHE A 77 2.503 21.836 -0.837 1.00 15.23 H new ATOM 0 HB2 PHE A 77 5.156 22.295 -2.189 1.00 25.55 H new ATOM 0 HB3 PHE A 77 4.742 20.673 -1.669 1.00 25.55 H new ATOM 0 HD1 PHE A 77 2.287 19.892 -2.381 1.00 40.32 H new ATOM 0 HD2 PHE A 77 4.527 22.953 -4.320 1.00 65.11 H new ATOM 0 HE1 PHE A 77 0.947 19.581 -4.418 1.00 25.34 H new ATOM 0 HE2 PHE A 77 3.191 22.643 -6.358 1.00 51.13 H new ATOM 0 HZ PHE A 77 1.394 20.959 -6.409 1.00 63.11 H new ATOM 1107 N SER A 78 3.323 21.209 1.406 1.00 50.35 N ATOM 1108 CA SER A 78 3.791 20.747 2.707 1.00 63.13 C ATOM 1109 C SER A 78 4.239 19.290 2.637 1.00 44.24 C ATOM 1110 O SER A 78 3.873 18.559 1.716 1.00 21.14 O ATOM 1111 CB SER A 78 2.688 20.903 3.755 1.00 74.14 C ATOM 1112 OG SER A 78 2.227 22.242 3.815 1.00 24.11 O ATOM 0 H SER A 78 2.327 21.064 1.240 1.00 50.35 H new ATOM 0 HA SER A 78 4.646 21.359 2.996 1.00 63.13 H new ATOM 0 HB2 SER A 78 1.857 20.240 3.515 1.00 74.14 H new ATOM 0 HB3 SER A 78 3.065 20.601 4.732 1.00 74.14 H new ATOM 0 HG SER A 78 1.599 22.405 3.081 1.00 24.11 H new ATOM 1118 N LYS A 79 5.035 18.875 3.616 1.00 22.13 N ATOM 1119 CA LYS A 79 5.534 17.506 3.669 1.00 20.20 C ATOM 1120 C LYS A 79 5.031 16.791 4.919 1.00 55.01 C ATOM 1121 O LYS A 79 5.047 15.562 4.992 1.00 32.44 O ATOM 1122 CB LYS A 79 7.064 17.497 3.645 1.00 2.54 C ATOM 1123 CG LYS A 79 7.658 16.182 3.172 1.00 40.24 C ATOM 1124 CD LYS A 79 7.843 15.207 4.322 1.00 2.33 C ATOM 1125 CE LYS A 79 9.128 14.407 4.173 1.00 32.33 C ATOM 1126 NZ LYS A 79 9.737 14.086 5.493 1.00 25.54 N ATOM 0 H LYS A 79 5.349 19.468 4.384 1.00 22.13 H new ATOM 0 HA LYS A 79 5.160 16.976 2.793 1.00 20.20 H new ATOM 0 HB2 LYS A 79 7.413 18.299 2.994 1.00 2.54 H new ATOM 0 HB3 LYS A 79 7.436 17.714 4.646 1.00 2.54 H new ATOM 0 HG2 LYS A 79 7.007 15.738 2.419 1.00 40.24 H new ATOM 0 HG3 LYS A 79 8.619 16.368 2.693 1.00 40.24 H new ATOM 0 HD2 LYS A 79 7.861 15.754 5.265 1.00 2.33 H new ATOM 0 HD3 LYS A 79 6.992 14.527 4.364 1.00 2.33 H new ATOM 0 HE2 LYS A 79 8.920 13.482 3.635 1.00 32.33 H new ATOM 0 HE3 LYS A 79 9.840 14.972 3.572 1.00 32.33 H new ATOM 0 HZ1 LYS A 79 10.611 13.540 5.349 1.00 25.54 H new ATOM 0 HZ2 LYS A 79 9.959 14.968 5.997 1.00 25.54 H new ATOM 0 HZ3 LYS A 79 9.067 13.525 6.057 1.00 25.54 H new ATOM 1140 N LEU A 80 4.582 17.568 5.899 1.00 64.21 N ATOM 1141 CA LEU A 80 4.072 17.009 7.146 1.00 61.41 C ATOM 1142 C LEU A 80 2.634 16.528 6.979 1.00 62.21 C ATOM 1143 O LEU A 80 2.073 15.896 7.874 1.00 45.32 O ATOM 1144 CB LEU A 80 4.147 18.050 8.263 1.00 0.54 C ATOM 1145 CG LEU A 80 5.322 17.913 9.232 1.00 63.32 C ATOM 1146 CD1 LEU A 80 6.636 17.840 8.470 1.00 43.24 C ATOM 1147 CD2 LEU A 80 5.339 19.071 10.218 1.00 1.33 C ATOM 0 H LEU A 80 4.561 18.587 5.854 1.00 64.21 H new ATOM 0 HA LEU A 80 4.693 16.154 7.413 1.00 61.41 H new ATOM 0 HB2 LEU A 80 4.191 19.039 7.808 1.00 0.54 H new ATOM 0 HB3 LEU A 80 3.222 18.005 8.837 1.00 0.54 H new ATOM 0 HG LEU A 80 5.199 16.987 9.793 1.00 63.32 H new ATOM 0 HD11 LEU A 80 7.461 17.743 9.176 1.00 43.24 H new ATOM 0 HD12 LEU A 80 6.624 16.976 7.805 1.00 43.24 H new ATOM 0 HD13 LEU A 80 6.767 18.749 7.882 1.00 43.24 H new ATOM 0 HD21 LEU A 80 6.182 18.956 10.899 1.00 1.33 H new ATOM 0 HD22 LEU A 80 5.437 20.011 9.674 1.00 1.33 H new ATOM 0 HD23 LEU A 80 4.410 19.077 10.788 1.00 1.33 H new ATOM 1159 N GLU A 81 2.045 16.830 5.826 1.00 33.23 N ATOM 1160 CA GLU A 81 0.672 16.427 5.542 1.00 24.33 C ATOM 1161 C GLU A 81 0.639 15.089 4.808 1.00 0.32 C ATOM 1162 O GLU A 81 0.001 14.139 5.258 1.00 73.44 O ATOM 1163 CB GLU A 81 -0.035 17.497 4.708 1.00 64.22 C ATOM 1164 CG GLU A 81 -0.051 18.867 5.363 1.00 12.43 C ATOM 1165 CD GLU A 81 -1.143 19.764 4.813 1.00 13.11 C ATOM 1166 OE1 GLU A 81 -1.853 19.330 3.882 1.00 73.03 O ATOM 1167 OE2 GLU A 81 -1.288 20.899 5.313 1.00 10.01 O ATOM 0 H GLU A 81 2.496 17.352 5.074 1.00 33.23 H new ATOM 0 HA GLU A 81 0.149 16.314 6.492 1.00 24.33 H new ATOM 0 HB2 GLU A 81 0.456 17.573 3.738 1.00 64.22 H new ATOM 0 HB3 GLU A 81 -1.061 17.181 4.521 1.00 64.22 H new ATOM 0 HG2 GLU A 81 -0.189 18.750 6.438 1.00 12.43 H new ATOM 0 HG3 GLU A 81 0.917 19.347 5.216 1.00 12.43 H new ATOM 1174 N ASN A 82 1.331 15.025 3.675 1.00 3.35 N ATOM 1175 CA ASN A 82 1.380 13.805 2.878 1.00 45.43 C ATOM 1176 C ASN A 82 2.196 12.726 3.583 1.00 3.53 C ATOM 1177 O ASN A 82 1.671 11.675 3.948 1.00 43.32 O ATOM 1178 CB ASN A 82 1.981 14.096 1.501 1.00 72.34 C ATOM 1179 CG ASN A 82 1.477 15.400 0.914 1.00 41.14 C ATOM 1180 OD1 ASN A 82 0.528 15.415 0.130 1.00 15.42 O ATOM 1181 ND2 ASN A 82 2.113 16.503 1.291 1.00 41.12 N ATOM 0 H ASN A 82 1.865 15.803 3.289 1.00 3.35 H new ATOM 0 HA ASN A 82 0.360 13.441 2.754 1.00 45.43 H new ATOM 0 HB2 ASN A 82 3.067 14.133 1.582 1.00 72.34 H new ATOM 0 HB3 ASN A 82 1.740 13.278 0.822 1.00 72.34 H new ATOM 0 HD21 ASN A 82 1.820 17.410 0.928 1.00 41.12 H new ATOM 0 HD22 ASN A 82 2.895 16.443 1.943 1.00 41.12 H new ATOM 1188 N GLY A 83 3.485 12.995 3.773 1.00 13.41 N ATOM 1189 CA GLY A 83 4.352 12.039 4.435 1.00 65.23 C ATOM 1190 C GLY A 83 5.576 11.697 3.608 1.00 41.33 C ATOM 1191 O GLY A 83 6.164 10.629 3.768 1.00 20.32 O ATOM 0 H GLY A 83 3.943 13.858 3.480 1.00 13.41 H new ATOM 0 HA2 GLY A 83 4.668 12.445 5.396 1.00 65.23 H new ATOM 0 HA3 GLY A 83 3.791 11.128 4.643 1.00 65.23 H new ATOM 1195 N GLY A 84 5.960 12.608 2.718 1.00 23.20 N ATOM 1196 CA GLY A 84 7.119 12.378 1.875 1.00 53.05 C ATOM 1197 C GLY A 84 7.491 13.598 1.057 1.00 44.55 C ATOM 1198 O GLY A 84 6.659 14.149 0.335 1.00 5.10 O ATOM 0 H GLY A 84 5.489 13.500 2.566 1.00 23.20 H new ATOM 0 HA2 GLY A 84 7.966 12.090 2.498 1.00 53.05 H new ATOM 0 HA3 GLY A 84 6.917 11.543 1.205 1.00 53.05 H new ATOM 1202 N PHE A 85 8.745 14.024 1.169 1.00 2.25 N ATOM 1203 CA PHE A 85 9.226 15.189 0.436 1.00 10.53 C ATOM 1204 C PHE A 85 9.045 14.999 -1.067 1.00 15.22 C ATOM 1205 O PHE A 85 8.980 13.879 -1.573 1.00 33.20 O ATOM 1206 CB PHE A 85 10.700 15.446 0.755 1.00 43.40 C ATOM 1207 CG PHE A 85 11.553 14.212 0.685 1.00 72.24 C ATOM 1208 CD1 PHE A 85 11.749 13.557 -0.521 1.00 10.23 C ATOM 1209 CD2 PHE A 85 12.158 13.706 1.824 1.00 44.24 C ATOM 1210 CE1 PHE A 85 12.532 12.421 -0.588 1.00 23.50 C ATOM 1211 CE2 PHE A 85 12.943 12.570 1.762 1.00 3.14 C ATOM 1212 CZ PHE A 85 13.131 11.927 0.555 1.00 42.13 C ATOM 0 H PHE A 85 9.447 13.579 1.761 1.00 2.25 H new ATOM 0 HA PHE A 85 8.638 16.052 0.749 1.00 10.53 H new ATOM 0 HB2 PHE A 85 11.090 16.188 0.058 1.00 43.40 H new ATOM 0 HB3 PHE A 85 10.778 15.875 1.754 1.00 43.40 H new ATOM 0 HD1 PHE A 85 11.284 13.939 -1.418 1.00 10.23 H new ATOM 0 HD2 PHE A 85 12.015 14.205 2.771 1.00 44.24 H new ATOM 0 HE1 PHE A 85 12.676 11.919 -1.533 1.00 23.50 H new ATOM 0 HE2 PHE A 85 13.409 12.186 2.657 1.00 3.14 H new ATOM 0 HZ PHE A 85 13.745 11.040 0.504 1.00 42.13 H new ATOM 1222 N PRO A 86 8.960 16.120 -1.798 1.00 52.25 N ATOM 1223 CA PRO A 86 8.785 16.104 -3.254 1.00 15.12 C ATOM 1224 C PRO A 86 10.028 15.606 -3.982 1.00 2.00 C ATOM 1225 O PRO A 86 10.970 15.116 -3.358 1.00 72.44 O ATOM 1226 CB PRO A 86 8.517 17.572 -3.595 1.00 41.11 C ATOM 1227 CG PRO A 86 9.162 18.341 -2.494 1.00 64.30 C ATOM 1228 CD PRO A 86 9.029 17.490 -1.262 1.00 21.45 C ATOM 0 HA PRO A 86 7.987 15.428 -3.561 1.00 15.12 H new ATOM 0 HB2 PRO A 86 8.941 17.837 -4.564 1.00 41.11 H new ATOM 0 HB3 PRO A 86 7.448 17.777 -3.648 1.00 41.11 H new ATOM 0 HG2 PRO A 86 10.210 18.541 -2.719 1.00 64.30 H new ATOM 0 HG3 PRO A 86 8.676 19.307 -2.356 1.00 64.30 H new ATOM 0 HD2 PRO A 86 9.880 17.617 -0.592 1.00 21.45 H new ATOM 0 HD3 PRO A 86 8.135 17.744 -0.693 1.00 21.45 H new ATOM 1236 N TYR A 87 10.025 15.735 -5.304 1.00 4.30 N ATOM 1237 CA TYR A 87 11.153 15.296 -6.117 1.00 42.22 C ATOM 1238 C TYR A 87 11.996 16.486 -6.568 1.00 34.30 C ATOM 1239 O TYR A 87 11.498 17.606 -6.677 1.00 24.14 O ATOM 1240 CB TYR A 87 10.657 14.517 -7.337 1.00 1.25 C ATOM 1241 CG TYR A 87 9.646 13.444 -6.999 1.00 44.34 C ATOM 1242 CD1 TYR A 87 8.296 13.748 -6.877 1.00 61.23 C ATOM 1243 CD2 TYR A 87 10.042 12.127 -6.804 1.00 31.31 C ATOM 1244 CE1 TYR A 87 7.370 12.771 -6.569 1.00 35.23 C ATOM 1245 CE2 TYR A 87 9.122 11.143 -6.496 1.00 61.14 C ATOM 1246 CZ TYR A 87 7.787 11.470 -6.379 1.00 62.04 C ATOM 1247 OH TYR A 87 6.867 10.494 -6.073 1.00 61.32 O ATOM 0 H TYR A 87 9.254 16.140 -5.835 1.00 4.30 H new ATOM 0 HA TYR A 87 11.776 14.643 -5.506 1.00 42.22 H new ATOM 0 HB2 TYR A 87 10.211 15.214 -8.046 1.00 1.25 H new ATOM 0 HB3 TYR A 87 11.510 14.057 -7.836 1.00 1.25 H new ATOM 0 HD1 TYR A 87 7.965 14.765 -7.025 1.00 61.23 H new ATOM 0 HD2 TYR A 87 11.086 11.868 -6.895 1.00 31.31 H new ATOM 0 HE1 TYR A 87 6.324 13.024 -6.477 1.00 35.23 H new ATOM 0 HE2 TYR A 87 9.446 10.124 -6.348 1.00 61.14 H new ATOM 0 HH TYR A 87 7.324 9.633 -5.973 1.00 61.32 H new ATOM 1257 N GLU A 88 13.274 16.232 -6.829 1.00 61.14 N ATOM 1258 CA GLU A 88 14.186 17.281 -7.268 1.00 43.43 C ATOM 1259 C GLU A 88 13.653 17.979 -8.516 1.00 55.40 C ATOM 1260 O GLU A 88 13.770 19.197 -8.659 1.00 63.52 O ATOM 1261 CB GLU A 88 15.572 16.698 -7.550 1.00 44.05 C ATOM 1262 CG GLU A 88 15.566 15.590 -8.590 1.00 63.01 C ATOM 1263 CD GLU A 88 16.882 14.838 -8.649 1.00 35.44 C ATOM 1264 OE1 GLU A 88 17.834 15.252 -7.956 1.00 42.20 O ATOM 1265 OE2 GLU A 88 16.957 13.833 -9.387 1.00 45.43 O ATOM 0 H GLU A 88 13.701 15.310 -6.744 1.00 61.14 H new ATOM 0 HA GLU A 88 14.265 18.016 -6.467 1.00 43.43 H new ATOM 0 HB2 GLU A 88 16.232 17.498 -7.887 1.00 44.05 H new ATOM 0 HB3 GLU A 88 15.990 16.310 -6.621 1.00 44.05 H new ATOM 0 HG2 GLU A 88 14.762 14.890 -8.365 1.00 63.01 H new ATOM 0 HG3 GLU A 88 15.352 16.017 -9.570 1.00 63.01 H new ATOM 1272 N LYS A 89 13.065 17.200 -9.417 1.00 64.54 N ATOM 1273 CA LYS A 89 12.512 17.740 -10.653 1.00 43.24 C ATOM 1274 C LYS A 89 11.173 18.425 -10.397 1.00 25.43 C ATOM 1275 O LYS A 89 10.772 19.322 -11.138 1.00 4.34 O ATOM 1276 CB LYS A 89 12.338 16.626 -11.688 1.00 54.43 C ATOM 1277 CG LYS A 89 11.305 15.585 -11.292 1.00 64.25 C ATOM 1278 CD LYS A 89 11.588 14.243 -11.947 1.00 21.23 C ATOM 1279 CE LYS A 89 10.496 13.231 -11.637 1.00 21.53 C ATOM 1280 NZ LYS A 89 10.696 11.955 -12.378 1.00 72.41 N ATOM 0 H LYS A 89 12.959 16.191 -9.314 1.00 64.54 H new ATOM 0 HA LYS A 89 13.211 18.481 -11.041 1.00 43.24 H new ATOM 0 HB2 LYS A 89 12.049 17.069 -12.641 1.00 54.43 H new ATOM 0 HB3 LYS A 89 13.298 16.133 -11.844 1.00 54.43 H new ATOM 0 HG2 LYS A 89 11.301 15.469 -10.208 1.00 64.25 H new ATOM 0 HG3 LYS A 89 10.311 15.929 -11.579 1.00 64.25 H new ATOM 0 HD2 LYS A 89 11.669 14.373 -13.026 1.00 21.23 H new ATOM 0 HD3 LYS A 89 12.548 13.862 -11.599 1.00 21.23 H new ATOM 0 HE2 LYS A 89 10.480 13.030 -10.566 1.00 21.53 H new ATOM 0 HE3 LYS A 89 9.525 13.653 -11.896 1.00 21.53 H new ATOM 0 HZ1 LYS A 89 9.931 11.292 -12.140 1.00 72.41 H new ATOM 0 HZ2 LYS A 89 10.686 12.142 -13.401 1.00 72.41 H new ATOM 0 HZ3 LYS A 89 11.611 11.539 -12.112 1.00 72.41 H new ATOM 1294 N ASP A 90 10.488 17.996 -9.343 1.00 33.02 N ATOM 1295 CA ASP A 90 9.195 18.570 -8.987 1.00 70.50 C ATOM 1296 C ASP A 90 9.373 19.881 -8.227 1.00 73.54 C ATOM 1297 O ASP A 90 8.422 20.644 -8.054 1.00 34.21 O ATOM 1298 CB ASP A 90 8.390 17.581 -8.142 1.00 12.21 C ATOM 1299 CG ASP A 90 7.141 18.207 -7.553 1.00 31.35 C ATOM 1300 OD1 ASP A 90 6.118 18.276 -8.266 1.00 42.22 O ATOM 1301 OD2 ASP A 90 7.186 18.626 -6.377 1.00 71.03 O ATOM 0 H ASP A 90 10.806 17.253 -8.720 1.00 33.02 H new ATOM 0 HA ASP A 90 8.650 18.776 -9.908 1.00 70.50 H new ATOM 0 HB2 ASP A 90 8.109 16.726 -8.757 1.00 12.21 H new ATOM 0 HB3 ASP A 90 9.018 17.201 -7.336 1.00 12.21 H new ATOM 1306 N LEU A 91 10.596 20.135 -7.776 1.00 13.33 N ATOM 1307 CA LEU A 91 10.899 21.354 -7.033 1.00 54.02 C ATOM 1308 C LEU A 91 11.378 22.458 -7.971 1.00 31.25 C ATOM 1309 O LEU A 91 11.308 23.641 -7.638 1.00 42.41 O ATOM 1310 CB LEU A 91 11.962 21.076 -5.969 1.00 74.51 C ATOM 1311 CG LEU A 91 11.502 20.264 -4.757 1.00 51.04 C ATOM 1312 CD1 LEU A 91 12.665 19.483 -4.165 1.00 40.25 C ATOM 1313 CD2 LEU A 91 10.881 21.176 -3.709 1.00 71.13 C ATOM 0 H LEU A 91 11.394 19.514 -7.911 1.00 13.33 H new ATOM 0 HA LEU A 91 9.984 21.689 -6.544 1.00 54.02 H new ATOM 0 HB2 LEU A 91 12.791 20.549 -6.441 1.00 74.51 H new ATOM 0 HB3 LEU A 91 12.352 22.030 -5.615 1.00 74.51 H new ATOM 0 HG LEU A 91 10.744 19.553 -5.086 1.00 51.04 H new ATOM 0 HD11 LEU A 91 12.319 18.912 -3.304 1.00 40.25 H new ATOM 0 HD12 LEU A 91 13.065 18.801 -4.916 1.00 40.25 H new ATOM 0 HD13 LEU A 91 13.446 20.176 -3.851 1.00 40.25 H new ATOM 0 HD21 LEU A 91 10.559 20.581 -2.854 1.00 71.13 H new ATOM 0 HD22 LEU A 91 11.617 21.911 -3.384 1.00 71.13 H new ATOM 0 HD23 LEU A 91 10.021 21.690 -4.138 1.00 71.13 H new ATOM 1325 N ILE A 92 11.862 22.062 -9.143 1.00 10.30 N ATOM 1326 CA ILE A 92 12.349 23.018 -10.129 1.00 43.54 C ATOM 1327 C ILE A 92 11.230 23.460 -11.066 1.00 42.42 C ATOM 1328 O ILE A 92 11.318 24.511 -11.700 1.00 53.24 O ATOM 1329 CB ILE A 92 13.500 22.428 -10.965 1.00 61.23 C ATOM 1330 CG1 ILE A 92 14.001 23.456 -11.982 1.00 22.04 C ATOM 1331 CG2 ILE A 92 13.046 21.158 -11.669 1.00 30.53 C ATOM 1332 CD1 ILE A 92 15.507 23.479 -12.125 1.00 51.42 C ATOM 0 H ILE A 92 11.927 21.086 -9.433 1.00 10.30 H new ATOM 0 HA ILE A 92 12.718 23.881 -9.575 1.00 43.54 H new ATOM 0 HB ILE A 92 14.323 22.176 -10.296 1.00 61.23 H new ATOM 0 HG12 ILE A 92 13.555 23.242 -12.953 1.00 22.04 H new ATOM 0 HG13 ILE A 92 13.657 24.447 -11.685 1.00 22.04 H new ATOM 0 HG21 ILE A 92 13.870 20.753 -12.256 1.00 30.53 H new ATOM 0 HG22 ILE A 92 12.733 20.423 -10.927 1.00 30.53 H new ATOM 0 HG23 ILE A 92 12.209 21.387 -12.329 1.00 30.53 H new ATOM 0 HD11 ILE A 92 15.791 24.230 -12.862 1.00 51.42 H new ATOM 0 HD12 ILE A 92 15.960 23.723 -11.164 1.00 51.42 H new ATOM 0 HD13 ILE A 92 15.856 22.500 -12.452 1.00 51.42 H new ATOM 1344 N GLU A 93 10.179 22.651 -11.146 1.00 55.22 N ATOM 1345 CA GLU A 93 9.041 22.960 -12.005 1.00 44.11 C ATOM 1346 C GLU A 93 8.144 24.013 -11.362 1.00 12.33 C ATOM 1347 O GLU A 93 7.169 24.464 -11.962 1.00 40.15 O ATOM 1348 CB GLU A 93 8.233 21.693 -12.294 1.00 44.44 C ATOM 1349 CG GLU A 93 7.510 21.142 -11.078 1.00 31.35 C ATOM 1350 CD GLU A 93 6.574 20.000 -11.423 1.00 52.02 C ATOM 1351 OE1 GLU A 93 6.786 19.354 -12.471 1.00 2.25 O ATOM 1352 OE2 GLU A 93 5.628 19.753 -10.645 1.00 65.53 O ATOM 0 H GLU A 93 10.091 21.777 -10.627 1.00 55.22 H new ATOM 0 HA GLU A 93 9.425 23.359 -12.944 1.00 44.11 H new ATOM 0 HB2 GLU A 93 7.503 21.908 -13.074 1.00 44.44 H new ATOM 0 HB3 GLU A 93 8.902 20.927 -12.686 1.00 44.44 H new ATOM 0 HG2 GLU A 93 8.244 20.798 -10.349 1.00 31.35 H new ATOM 0 HG3 GLU A 93 6.941 21.942 -10.605 1.00 31.35 H new ATOM 1359 N ALA A 94 8.480 24.400 -10.136 1.00 24.14 N ATOM 1360 CA ALA A 94 7.707 25.400 -9.411 1.00 11.33 C ATOM 1361 C ALA A 94 8.078 26.810 -9.857 1.00 1.43 C ATOM 1362 O ALA A 94 7.206 27.625 -10.162 1.00 21.43 O ATOM 1363 CB ALA A 94 7.918 25.246 -7.912 1.00 14.02 C ATOM 0 H ALA A 94 9.283 24.036 -9.624 1.00 24.14 H new ATOM 0 HA ALA A 94 6.652 25.241 -9.636 1.00 11.33 H new ATOM 0 HB1 ALA A 94 7.335 26.000 -7.383 1.00 14.02 H new ATOM 0 HB2 ALA A 94 7.596 24.253 -7.599 1.00 14.02 H new ATOM 0 HB3 ALA A 94 8.975 25.375 -7.678 1.00 14.02 H new ATOM 1369 N ILE A 95 9.376 27.092 -9.892 1.00 1.44 N ATOM 1370 CA ILE A 95 9.862 28.405 -10.301 1.00 35.52 C ATOM 1371 C ILE A 95 9.634 28.635 -11.791 1.00 33.21 C ATOM 1372 O ILE A 95 9.415 29.764 -12.228 1.00 54.54 O ATOM 1373 CB ILE A 95 11.361 28.572 -9.990 1.00 54.21 C ATOM 1374 CG1 ILE A 95 12.177 27.500 -10.715 1.00 31.13 C ATOM 1375 CG2 ILE A 95 11.601 28.505 -8.489 1.00 63.24 C ATOM 1376 CD1 ILE A 95 12.670 27.934 -12.077 1.00 72.24 C ATOM 0 H ILE A 95 10.110 26.429 -9.642 1.00 1.44 H new ATOM 0 HA ILE A 95 9.297 29.143 -9.731 1.00 35.52 H new ATOM 0 HB ILE A 95 11.685 29.550 -10.346 1.00 54.21 H new ATOM 0 HG12 ILE A 95 13.033 27.227 -10.098 1.00 31.13 H new ATOM 0 HG13 ILE A 95 11.566 26.604 -10.827 1.00 31.13 H new ATOM 0 HG21 ILE A 95 12.665 28.625 -8.285 1.00 63.24 H new ATOM 0 HG22 ILE A 95 11.045 29.302 -7.996 1.00 63.24 H new ATOM 0 HG23 ILE A 95 11.265 27.540 -8.110 1.00 63.24 H new ATOM 0 HD11 ILE A 95 13.240 27.124 -12.532 1.00 72.24 H new ATOM 0 HD12 ILE A 95 11.818 28.179 -12.711 1.00 72.24 H new ATOM 0 HD13 ILE A 95 13.307 28.812 -11.971 1.00 72.24 H new ATOM 1388 N ARG A 96 9.685 27.556 -12.565 1.00 43.04 N ATOM 1389 CA ARG A 96 9.484 27.640 -14.007 1.00 10.11 C ATOM 1390 C ARG A 96 8.140 28.286 -14.331 1.00 60.33 C ATOM 1391 O ARG A 96 7.969 28.887 -15.392 1.00 0.11 O ATOM 1392 CB ARG A 96 9.558 26.248 -14.636 1.00 30.53 C ATOM 1393 CG ARG A 96 10.335 26.209 -15.941 1.00 42.33 C ATOM 1394 CD ARG A 96 9.682 27.078 -17.004 1.00 53.44 C ATOM 1395 NE ARG A 96 10.270 28.414 -17.057 1.00 50.10 N ATOM 1396 CZ ARG A 96 9.887 29.353 -17.915 1.00 75.33 C ATOM 1397 NH1 ARG A 96 8.920 29.103 -18.788 1.00 31.13 N ATOM 1398 NH2 ARG A 96 10.470 30.544 -17.902 1.00 1.34 N ATOM 0 H ARG A 96 9.864 26.614 -12.218 1.00 43.04 H new ATOM 0 HA ARG A 96 10.277 28.261 -14.424 1.00 10.11 H new ATOM 0 HB2 ARG A 96 10.022 25.562 -13.927 1.00 30.53 H new ATOM 0 HB3 ARG A 96 8.546 25.885 -14.815 1.00 30.53 H new ATOM 0 HG2 ARG A 96 11.356 26.549 -15.768 1.00 42.33 H new ATOM 0 HG3 ARG A 96 10.398 25.181 -16.298 1.00 42.33 H new ATOM 0 HD2 ARG A 96 9.784 26.598 -17.977 1.00 53.44 H new ATOM 0 HD3 ARG A 96 8.614 27.160 -16.800 1.00 53.44 H new ATOM 0 HE ARG A 96 11.016 28.638 -16.399 1.00 50.10 H new ATOM 0 HH11 ARG A 96 8.469 28.188 -18.801 1.00 31.13 H new ATOM 0 HH12 ARG A 96 8.628 29.826 -19.446 1.00 31.13 H new ATOM 0 HH21 ARG A 96 11.214 30.740 -17.232 1.00 1.34 H new ATOM 0 HH22 ARG A 96 10.175 31.264 -18.562 1.00 1.34 H new ATOM 1412 N ARG A 97 7.190 28.156 -13.411 1.00 53.04 N ATOM 1413 CA ARG A 97 5.861 28.725 -13.600 1.00 53.04 C ATOM 1414 C ARG A 97 5.740 30.072 -12.893 1.00 63.30 C ATOM 1415 O ARG A 97 5.312 31.060 -13.488 1.00 3.31 O ATOM 1416 CB ARG A 97 4.792 27.764 -13.076 1.00 40.11 C ATOM 1417 CG ARG A 97 4.210 26.857 -14.148 1.00 14.50 C ATOM 1418 CD ARG A 97 3.590 25.607 -13.544 1.00 1.14 C ATOM 1419 NE ARG A 97 3.638 24.473 -14.463 1.00 50.40 N ATOM 1420 CZ ARG A 97 3.051 23.306 -14.222 1.00 3.23 C ATOM 1421 NH1 ARG A 97 2.375 23.120 -13.096 1.00 44.43 N ATOM 1422 NH2 ARG A 97 3.140 22.322 -15.107 1.00 53.25 N ATOM 0 H ARG A 97 7.316 27.662 -12.528 1.00 53.04 H new ATOM 0 HA ARG A 97 5.709 28.880 -14.668 1.00 53.04 H new ATOM 0 HB2 ARG A 97 5.224 27.149 -12.287 1.00 40.11 H new ATOM 0 HB3 ARG A 97 3.986 28.342 -12.624 1.00 40.11 H new ATOM 0 HG2 ARG A 97 3.455 27.401 -14.716 1.00 14.50 H new ATOM 0 HG3 ARG A 97 4.994 26.573 -14.850 1.00 14.50 H new ATOM 0 HD2 ARG A 97 4.115 25.350 -12.624 1.00 1.14 H new ATOM 0 HD3 ARG A 97 2.554 25.811 -13.274 1.00 1.14 H new ATOM 0 HE ARG A 97 4.150 24.583 -15.338 1.00 50.40 H new ATOM 0 HH11 ARG A 97 2.305 23.874 -12.413 1.00 44.43 H new ATOM 0 HH12 ARG A 97 1.925 22.223 -12.913 1.00 44.43 H new ATOM 0 HH21 ARG A 97 3.660 22.461 -15.974 1.00 53.25 H new ATOM 0 HH22 ARG A 97 2.689 21.426 -14.921 1.00 53.25 H new ATOM 1436 N ALA A 98 6.120 30.102 -11.620 1.00 22.42 N ATOM 1437 CA ALA A 98 6.056 31.326 -10.832 1.00 42.31 C ATOM 1438 C ALA A 98 6.869 32.441 -11.483 1.00 32.42 C ATOM 1439 O ALA A 98 6.527 33.618 -11.371 1.00 31.22 O ATOM 1440 CB ALA A 98 6.549 31.069 -9.416 1.00 0.23 C ATOM 0 H ALA A 98 6.476 29.292 -11.112 1.00 22.42 H new ATOM 0 HA ALA A 98 5.015 31.647 -10.790 1.00 42.31 H new ATOM 0 HB1 ALA A 98 6.496 31.992 -8.839 1.00 0.23 H new ATOM 0 HB2 ALA A 98 5.924 30.310 -8.945 1.00 0.23 H new ATOM 0 HB3 ALA A 98 7.581 30.720 -9.448 1.00 0.23 H new ATOM 1446 N SER A 99 7.946 32.062 -12.162 1.00 64.54 N ATOM 1447 CA SER A 99 8.810 33.030 -12.827 1.00 65.24 C ATOM 1448 C SER A 99 8.121 33.621 -14.054 1.00 23.24 C ATOM 1449 O SER A 99 8.562 34.631 -14.600 1.00 12.22 O ATOM 1450 CB SER A 99 10.129 32.371 -13.237 1.00 41.33 C ATOM 1451 OG SER A 99 11.052 33.334 -13.716 1.00 65.44 O ATOM 0 H SER A 99 8.241 31.091 -12.266 1.00 64.54 H new ATOM 0 HA SER A 99 9.018 33.837 -12.124 1.00 65.24 H new ATOM 0 HB2 SER A 99 10.557 31.845 -12.384 1.00 41.33 H new ATOM 0 HB3 SER A 99 9.942 31.626 -14.010 1.00 41.33 H new ATOM 0 HG SER A 99 11.963 33.059 -13.482 1.00 65.44 H new ATOM 1457 N ASN A 100 7.037 32.982 -14.480 1.00 73.03 N ATOM 1458 CA ASN A 100 6.286 33.443 -15.642 1.00 52.14 C ATOM 1459 C ASN A 100 5.417 34.646 -15.287 1.00 4.05 C ATOM 1460 O ASN A 100 5.130 35.490 -16.134 1.00 44.22 O ATOM 1461 CB ASN A 100 5.412 32.314 -16.192 1.00 31.22 C ATOM 1462 CG ASN A 100 5.091 32.495 -17.663 1.00 31.41 C ATOM 1463 OD1 ASN A 100 4.305 33.365 -18.036 1.00 15.44 O ATOM 1464 ND2 ASN A 100 5.700 31.670 -18.507 1.00 30.11 N ATOM 0 H ASN A 100 6.659 32.144 -14.038 1.00 73.03 H new ATOM 0 HA ASN A 100 7.001 33.746 -16.407 1.00 52.14 H new ATOM 0 HB2 ASN A 100 5.922 31.361 -16.049 1.00 31.22 H new ATOM 0 HB3 ASN A 100 4.483 32.267 -15.623 1.00 31.22 H new ATOM 0 HD21 ASN A 100 5.523 31.743 -19.509 1.00 30.11 H new ATOM 0 HD22 ASN A 100 6.345 30.963 -18.153 1.00 30.11 H new ATOM 1471 N GLY A 101 5.002 34.717 -14.025 1.00 43.33 N ATOM 1472 CA GLY A 101 4.171 35.820 -13.579 1.00 5.20 C ATOM 1473 C GLY A 101 2.713 35.634 -13.949 1.00 3.32 C ATOM 1474 O GLY A 101 1.902 36.543 -13.774 1.00 31.31 O ATOM 0 H GLY A 101 5.227 34.031 -13.305 1.00 43.33 H new ATOM 0 HA2 GLY A 101 4.258 35.922 -12.497 1.00 5.20 H new ATOM 0 HA3 GLY A 101 4.538 36.748 -14.017 1.00 5.20 H new ATOM 1478 N GLU A 102 2.380 34.454 -14.463 1.00 4.41 N ATOM 1479 CA GLU A 102 1.010 34.154 -14.861 1.00 0.53 C ATOM 1480 C GLU A 102 0.684 32.683 -14.621 1.00 54.11 C ATOM 1481 O GLU A 102 -0.322 32.170 -15.112 1.00 74.11 O ATOM 1482 CB GLU A 102 0.796 34.502 -16.335 1.00 53.23 C ATOM 1483 CG GLU A 102 -0.633 34.900 -16.665 1.00 72.34 C ATOM 1484 CD GLU A 102 -0.891 34.962 -18.158 1.00 74.44 C ATOM 1485 OE1 GLU A 102 -0.833 33.902 -18.816 1.00 24.43 O ATOM 1486 OE2 GLU A 102 -1.153 36.071 -18.669 1.00 44.01 O ATOM 0 H GLU A 102 3.040 33.691 -14.613 1.00 4.41 H new ATOM 0 HA GLU A 102 0.340 34.761 -14.252 1.00 0.53 H new ATOM 0 HB2 GLU A 102 1.464 35.319 -16.607 1.00 53.23 H new ATOM 0 HB3 GLU A 102 1.076 33.644 -16.947 1.00 53.23 H new ATOM 0 HG2 GLU A 102 -1.319 34.185 -16.211 1.00 72.34 H new ATOM 0 HG3 GLU A 102 -0.847 35.873 -16.222 1.00 72.34 H new ATOM 1493 N THR A 103 1.542 32.008 -13.863 1.00 2.42 N ATOM 1494 CA THR A 103 1.348 30.596 -13.559 1.00 15.42 C ATOM 1495 C THR A 103 1.844 30.262 -12.157 1.00 14.33 C ATOM 1496 O THR A 103 2.962 30.617 -11.782 1.00 11.34 O ATOM 1497 CB THR A 103 2.075 29.697 -14.576 1.00 51.23 C ATOM 1498 OG1 THR A 103 2.578 30.489 -15.658 1.00 3.11 O ATOM 1499 CG2 THR A 103 1.140 28.626 -15.117 1.00 50.24 C ATOM 0 H THR A 103 2.379 32.417 -13.448 1.00 2.42 H new ATOM 0 HA THR A 103 0.276 30.405 -13.617 1.00 15.42 H new ATOM 0 HB THR A 103 2.906 29.208 -14.067 1.00 51.23 H new ATOM 0 HG1 THR A 103 3.040 29.910 -16.300 1.00 3.11 H new ATOM 0 HG21 THR A 103 1.676 28.003 -15.833 1.00 50.24 H new ATOM 0 HG22 THR A 103 0.782 28.007 -14.295 1.00 50.24 H new ATOM 0 HG23 THR A 103 0.292 29.099 -15.611 1.00 50.24 H new ATOM 1507 N LEU A 104 1.006 29.577 -11.386 1.00 4.33 N ATOM 1508 CA LEU A 104 1.361 29.194 -10.023 1.00 74.04 C ATOM 1509 C LEU A 104 0.663 27.898 -9.624 1.00 24.52 C ATOM 1510 O LEU A 104 -0.158 27.368 -10.371 1.00 60.04 O ATOM 1511 CB LEU A 104 0.988 30.309 -9.045 1.00 54.44 C ATOM 1512 CG LEU A 104 1.551 31.695 -9.361 1.00 51.44 C ATOM 1513 CD1 LEU A 104 0.853 32.758 -8.528 1.00 14.34 C ATOM 1514 CD2 LEU A 104 3.053 31.728 -9.121 1.00 22.01 C ATOM 0 H LEU A 104 0.077 29.276 -11.681 1.00 4.33 H new ATOM 0 HA LEU A 104 2.438 29.032 -9.986 1.00 74.04 H new ATOM 0 HB2 LEU A 104 -0.099 30.381 -9.005 1.00 54.44 H new ATOM 0 HB3 LEU A 104 1.326 30.020 -8.050 1.00 54.44 H new ATOM 0 HG LEU A 104 1.367 31.909 -10.414 1.00 51.44 H new ATOM 0 HD11 LEU A 104 1.267 33.738 -8.767 1.00 14.34 H new ATOM 0 HD12 LEU A 104 -0.214 32.751 -8.750 1.00 14.34 H new ATOM 0 HD13 LEU A 104 1.005 32.548 -7.469 1.00 14.34 H new ATOM 0 HD21 LEU A 104 3.436 32.722 -9.351 1.00 22.01 H new ATOM 0 HD22 LEU A 104 3.260 31.492 -8.077 1.00 22.01 H new ATOM 0 HD23 LEU A 104 3.540 30.994 -9.763 1.00 22.01 H new ATOM 1526 N GLU A 105 0.996 27.394 -8.439 1.00 73.44 N ATOM 1527 CA GLU A 105 0.400 26.160 -7.941 1.00 32.35 C ATOM 1528 C GLU A 105 -1.123 26.253 -7.939 1.00 74.25 C ATOM 1529 O GLU A 105 -1.694 27.296 -8.261 1.00 64.52 O ATOM 1530 CB GLU A 105 0.904 25.858 -6.528 1.00 2.43 C ATOM 1531 CG GLU A 105 0.440 26.865 -5.488 1.00 70.51 C ATOM 1532 CD GLU A 105 1.274 28.131 -5.489 1.00 53.21 C ATOM 1533 OE1 GLU A 105 2.324 28.150 -6.163 1.00 45.03 O ATOM 1534 OE2 GLU A 105 0.874 29.104 -4.815 1.00 63.12 O ATOM 0 H GLU A 105 1.674 27.821 -7.808 1.00 73.44 H new ATOM 0 HA GLU A 105 0.697 25.350 -8.607 1.00 32.35 H new ATOM 0 HB2 GLU A 105 0.566 24.864 -6.235 1.00 2.43 H new ATOM 0 HB3 GLU A 105 1.994 25.834 -6.537 1.00 2.43 H new ATOM 0 HG2 GLU A 105 -0.603 27.121 -5.676 1.00 70.51 H new ATOM 0 HG3 GLU A 105 0.483 26.407 -4.500 1.00 70.51 H new ATOM 1541 N LYS A 106 -1.777 25.155 -7.576 1.00 30.32 N ATOM 1542 CA LYS A 106 -3.234 25.110 -7.531 1.00 43.14 C ATOM 1543 C LYS A 106 -3.716 24.170 -6.431 1.00 51.03 C ATOM 1544 O LYS A 106 -3.067 23.168 -6.129 1.00 44.34 O ATOM 1545 CB LYS A 106 -3.792 24.659 -8.883 1.00 51.52 C ATOM 1546 CG LYS A 106 -5.229 25.090 -9.122 1.00 1.41 C ATOM 1547 CD LYS A 106 -5.889 24.254 -10.206 1.00 11.54 C ATOM 1548 CE LYS A 106 -5.350 24.603 -11.584 1.00 64.24 C ATOM 1549 NZ LYS A 106 -4.191 23.746 -11.959 1.00 70.35 N ATOM 0 H LYS A 106 -1.320 24.283 -7.308 1.00 30.32 H new ATOM 0 HA LYS A 106 -3.597 26.114 -7.311 1.00 43.14 H new ATOM 0 HB2 LYS A 106 -3.164 25.061 -9.678 1.00 51.52 H new ATOM 0 HB3 LYS A 106 -3.732 23.573 -8.947 1.00 51.52 H new ATOM 0 HG2 LYS A 106 -5.796 24.999 -8.195 1.00 1.41 H new ATOM 0 HG3 LYS A 106 -5.252 26.142 -9.408 1.00 1.41 H new ATOM 0 HD2 LYS A 106 -5.720 23.196 -10.005 1.00 11.54 H new ATOM 0 HD3 LYS A 106 -6.967 24.414 -10.185 1.00 11.54 H new ATOM 0 HE2 LYS A 106 -6.142 24.487 -12.324 1.00 64.24 H new ATOM 0 HE3 LYS A 106 -5.048 25.650 -11.602 1.00 64.24 H new ATOM 0 HZ1 LYS A 106 -3.402 24.347 -12.272 1.00 70.35 H new ATOM 0 HZ2 LYS A 106 -3.893 23.185 -11.135 1.00 70.35 H new ATOM 0 HZ3 LYS A 106 -4.467 23.107 -12.731 1.00 70.35 H new ATOM 1563 N ILE A 107 -4.858 24.499 -5.837 1.00 73.54 N ATOM 1564 CA ILE A 107 -5.428 23.682 -4.773 1.00 62.40 C ATOM 1565 C ILE A 107 -6.798 23.142 -5.168 1.00 33.21 C ATOM 1566 O ILE A 107 -7.715 23.905 -5.474 1.00 3.40 O ATOM 1567 CB ILE A 107 -5.561 24.478 -3.462 1.00 4.24 C ATOM 1568 CG1 ILE A 107 -4.236 25.162 -3.118 1.00 65.32 C ATOM 1569 CG2 ILE A 107 -6.000 23.563 -2.328 1.00 53.34 C ATOM 1570 CD1 ILE A 107 -4.160 26.600 -3.581 1.00 64.33 C ATOM 0 H ILE A 107 -5.407 25.325 -6.074 1.00 73.54 H new ATOM 0 HA ILE A 107 -4.744 22.848 -4.615 1.00 62.40 H new ATOM 0 HB ILE A 107 -6.321 25.247 -3.598 1.00 4.24 H new ATOM 0 HG12 ILE A 107 -4.089 25.128 -2.039 1.00 65.32 H new ATOM 0 HG13 ILE A 107 -3.418 24.600 -3.569 1.00 65.32 H new ATOM 0 HG21 ILE A 107 -6.089 24.141 -1.408 1.00 53.34 H new ATOM 0 HG22 ILE A 107 -6.965 23.118 -2.572 1.00 53.34 H new ATOM 0 HG23 ILE A 107 -5.261 22.774 -2.190 1.00 53.34 H new ATOM 0 HD11 ILE A 107 -3.194 27.021 -3.303 1.00 64.33 H new ATOM 0 HD12 ILE A 107 -4.276 26.640 -4.664 1.00 64.33 H new ATOM 0 HD13 ILE A 107 -4.956 27.177 -3.110 1.00 64.33 H new ATOM 1582 N THR A 108 -6.933 21.819 -5.157 1.00 41.23 N ATOM 1583 CA THR A 108 -8.191 21.176 -5.513 1.00 54.24 C ATOM 1584 C THR A 108 -8.938 20.703 -4.271 1.00 63.23 C ATOM 1585 O THR A 108 -9.833 19.863 -4.356 1.00 64.00 O ATOM 1586 CB THR A 108 -7.963 19.975 -6.450 1.00 71.12 C ATOM 1587 OG1 THR A 108 -9.218 19.498 -6.949 1.00 65.43 O ATOM 1588 CG2 THR A 108 -7.240 18.851 -5.723 1.00 12.20 C ATOM 0 H THR A 108 -6.186 21.172 -4.905 1.00 41.23 H new ATOM 0 HA THR A 108 -8.792 21.923 -6.032 1.00 54.24 H new ATOM 0 HB THR A 108 -7.343 20.305 -7.283 1.00 71.12 H new ATOM 0 HG1 THR A 108 -9.877 19.489 -6.223 1.00 65.43 H new ATOM 0 HG21 THR A 108 -7.090 18.014 -6.405 1.00 12.20 H new ATOM 0 HG22 THR A 108 -6.273 19.209 -5.370 1.00 12.20 H new ATOM 0 HG23 THR A 108 -7.838 18.524 -4.873 1.00 12.20 H new ATOM 1596 N ASN A 109 -8.564 21.248 -3.118 1.00 62.03 N ATOM 1597 CA ASN A 109 -9.199 20.881 -1.858 1.00 22.22 C ATOM 1598 C ASN A 109 -9.118 19.375 -1.626 1.00 72.14 C ATOM 1599 O ASN A 109 -10.083 18.752 -1.184 1.00 33.00 O ATOM 1600 CB ASN A 109 -10.661 21.332 -1.849 1.00 22.12 C ATOM 1601 CG ASN A 109 -11.240 21.387 -0.448 1.00 53.05 C ATOM 1602 OD1 ASN A 109 -11.765 20.395 0.058 1.00 64.12 O ATOM 1603 ND2 ASN A 109 -11.148 22.551 0.184 1.00 31.14 N ATOM 0 H ASN A 109 -7.825 21.945 -3.030 1.00 62.03 H new ATOM 0 HA ASN A 109 -8.666 21.384 -1.051 1.00 22.22 H new ATOM 0 HB2 ASN A 109 -10.738 22.317 -2.310 1.00 22.12 H new ATOM 0 HB3 ASN A 109 -11.253 20.648 -2.457 1.00 22.12 H new ATOM 0 HD21 ASN A 109 -11.521 22.650 1.128 1.00 31.14 H new ATOM 0 HD22 ASN A 109 -10.704 23.347 -0.275 1.00 31.14 H new ATOM 1610 N SER A 110 -7.960 18.796 -1.928 1.00 52.54 N ATOM 1611 CA SER A 110 -7.754 17.363 -1.757 1.00 0.24 C ATOM 1612 C SER A 110 -7.739 16.990 -0.277 1.00 44.03 C ATOM 1613 O SER A 110 -7.828 17.856 0.593 1.00 35.34 O ATOM 1614 CB SER A 110 -6.443 16.932 -2.417 1.00 3.45 C ATOM 1615 OG SER A 110 -6.627 16.678 -3.798 1.00 44.24 O ATOM 0 H SER A 110 -7.150 19.298 -2.292 1.00 52.54 H new ATOM 0 HA SER A 110 -8.582 16.842 -2.237 1.00 0.24 H new ATOM 0 HB2 SER A 110 -5.692 17.711 -2.284 1.00 3.45 H new ATOM 0 HB3 SER A 110 -6.063 16.036 -1.927 1.00 3.45 H new ATOM 0 HG SER A 110 -5.774 16.406 -4.197 1.00 44.24 H new ATOM 1621 N ARG A 111 -7.624 15.695 -0.001 1.00 52.04 N ATOM 1622 CA ARG A 111 -7.598 15.206 1.372 1.00 73.23 C ATOM 1623 C ARG A 111 -6.407 14.279 1.596 1.00 1.23 C ATOM 1624 O ARG A 111 -5.858 13.695 0.661 1.00 13.35 O ATOM 1625 CB ARG A 111 -8.899 14.470 1.698 1.00 31.11 C ATOM 1626 CG ARG A 111 -9.380 13.559 0.581 1.00 71.32 C ATOM 1627 CD ARG A 111 -10.313 14.290 -0.372 1.00 1.11 C ATOM 1628 NE ARG A 111 -11.200 13.372 -1.081 1.00 54.41 N ATOM 1629 CZ ARG A 111 -12.275 13.764 -1.757 1.00 10.24 C ATOM 1630 NH1 ARG A 111 -12.593 15.050 -1.814 1.00 74.05 N ATOM 1631 NH2 ARG A 111 -13.034 12.869 -2.376 1.00 45.03 N ATOM 0 H ARG A 111 -7.547 14.966 -0.710 1.00 52.04 H new ATOM 0 HA ARG A 111 -7.498 16.065 2.036 1.00 73.23 H new ATOM 0 HB2 ARG A 111 -8.755 13.878 2.602 1.00 31.11 H new ATOM 0 HB3 ARG A 111 -9.676 15.203 1.918 1.00 31.11 H new ATOM 0 HG2 ARG A 111 -8.522 13.175 0.029 1.00 71.32 H new ATOM 0 HG3 ARG A 111 -9.896 12.699 1.008 1.00 71.32 H new ATOM 0 HD2 ARG A 111 -10.909 15.011 0.187 1.00 1.11 H new ATOM 0 HD3 ARG A 111 -9.724 14.855 -1.094 1.00 1.11 H new ATOM 0 HE ARG A 111 -10.983 12.376 -1.056 1.00 54.41 H new ATOM 0 HH11 ARG A 111 -12.012 15.741 -1.338 1.00 74.05 H new ATOM 0 HH12 ARG A 111 -13.418 15.349 -2.333 1.00 74.05 H new ATOM 0 HH21 ARG A 111 -12.793 11.879 -2.333 1.00 45.03 H new ATOM 0 HH22 ARG A 111 -13.859 13.171 -2.894 1.00 45.03 H new ATOM 1645 N PRO A 112 -5.996 14.141 2.866 1.00 62.45 N ATOM 1646 CA PRO A 112 -4.866 13.287 3.243 1.00 64.43 C ATOM 1647 C PRO A 112 -5.180 11.803 3.079 1.00 0.44 C ATOM 1648 O PRO A 112 -6.329 11.405 2.890 1.00 14.01 O ATOM 1649 CB PRO A 112 -4.641 13.626 4.718 1.00 12.33 C ATOM 1650 CG PRO A 112 -5.965 14.111 5.201 1.00 44.32 C ATOM 1651 CD PRO A 112 -6.603 14.807 4.030 1.00 21.52 C ATOM 0 HA PRO A 112 -3.994 13.464 2.613 1.00 64.43 H new ATOM 0 HB2 PRO A 112 -4.311 12.752 5.279 1.00 12.33 H new ATOM 0 HB3 PRO A 112 -3.872 14.390 4.836 1.00 12.33 H new ATOM 0 HG2 PRO A 112 -6.582 13.282 5.546 1.00 44.32 H new ATOM 0 HG3 PRO A 112 -5.847 14.793 6.043 1.00 44.32 H new ATOM 0 HD2 PRO A 112 -7.687 14.694 4.037 1.00 21.52 H new ATOM 0 HD3 PRO A 112 -6.394 15.877 4.035 1.00 21.52 H new ATOM 1659 N PRO A 113 -4.136 10.965 3.154 1.00 30.44 N ATOM 1660 CA PRO A 113 -4.276 9.512 3.018 1.00 35.25 C ATOM 1661 C PRO A 113 -4.992 8.885 4.210 1.00 25.53 C ATOM 1662 O PRO A 113 -4.432 8.792 5.303 1.00 23.54 O ATOM 1663 CB PRO A 113 -2.829 9.021 2.945 1.00 65.24 C ATOM 1664 CG PRO A 113 -2.037 10.068 3.650 1.00 71.41 C ATOM 1665 CD PRO A 113 -2.738 11.370 3.378 1.00 31.13 C ATOM 0 HA PRO A 113 -4.877 9.240 2.150 1.00 35.25 H new ATOM 0 HB2 PRO A 113 -2.716 8.049 3.425 1.00 65.24 H new ATOM 0 HB3 PRO A 113 -2.502 8.906 1.912 1.00 65.24 H new ATOM 0 HG2 PRO A 113 -1.989 9.867 4.720 1.00 71.41 H new ATOM 0 HG3 PRO A 113 -1.011 10.093 3.284 1.00 71.41 H new ATOM 0 HD2 PRO A 113 -2.649 12.058 4.219 1.00 31.13 H new ATOM 0 HD3 PRO A 113 -2.322 11.876 2.507 1.00 31.13 H new ATOM 1673 N CYS A 114 -6.230 8.456 3.993 1.00 64.45 N ATOM 1674 CA CYS A 114 -7.022 7.837 5.050 1.00 65.22 C ATOM 1675 C CYS A 114 -6.539 6.418 5.331 1.00 25.22 C ATOM 1676 O CYS A 114 -6.771 5.503 4.540 1.00 2.35 O ATOM 1677 CB CYS A 114 -8.501 7.818 4.663 1.00 61.44 C ATOM 1678 SG CYS A 114 -9.625 7.555 6.054 1.00 1.14 S ATOM 0 H CYS A 114 -6.707 8.525 3.094 1.00 64.45 H new ATOM 0 HA CYS A 114 -6.899 8.429 5.957 1.00 65.22 H new ATOM 0 HB2 CYS A 114 -8.752 8.763 4.181 1.00 61.44 H new ATOM 0 HB3 CYS A 114 -8.662 7.032 3.926 1.00 61.44 H new ATOM 0 HG CYS A 114 -10.853 7.557 5.626 1.00 1.14 H new ATOM 1684 N VAL A 115 -5.863 6.241 6.463 1.00 55.43 N ATOM 1685 CA VAL A 115 -5.347 4.934 6.849 1.00 64.13 C ATOM 1686 C VAL A 115 -5.323 4.778 8.365 1.00 13.01 C ATOM 1687 O VAL A 115 -4.885 5.676 9.085 1.00 54.23 O ATOM 1688 CB VAL A 115 -3.926 4.707 6.298 1.00 10.14 C ATOM 1689 CG1 VAL A 115 -2.955 5.716 6.893 1.00 14.02 C ATOM 1690 CG2 VAL A 115 -3.467 3.284 6.579 1.00 13.11 C ATOM 0 H VAL A 115 -5.661 6.987 7.128 1.00 55.43 H new ATOM 0 HA VAL A 115 -6.018 4.190 6.421 1.00 64.13 H new ATOM 0 HB VAL A 115 -3.946 4.852 5.218 1.00 10.14 H new ATOM 0 HG11 VAL A 115 -1.957 5.540 6.492 1.00 14.02 H new ATOM 0 HG12 VAL A 115 -3.276 6.725 6.636 1.00 14.02 H new ATOM 0 HG13 VAL A 115 -2.935 5.606 7.977 1.00 14.02 H new ATOM 0 HG21 VAL A 115 -2.462 3.141 6.183 1.00 13.11 H new ATOM 0 HG22 VAL A 115 -3.462 3.109 7.655 1.00 13.11 H new ATOM 0 HG23 VAL A 115 -4.149 2.581 6.101 1.00 13.11 H new ATOM 1700 N ILE A 116 -5.797 3.633 8.844 1.00 62.41 N ATOM 1701 CA ILE A 116 -5.829 3.358 10.275 1.00 4.41 C ATOM 1702 C ILE A 116 -5.010 2.118 10.616 1.00 70.35 C ATOM 1703 O ILE A 116 -5.289 1.022 10.126 1.00 53.52 O ATOM 1704 CB ILE A 116 -7.271 3.162 10.779 1.00 42.32 C ATOM 1705 CG1 ILE A 116 -8.041 2.235 9.837 1.00 74.21 C ATOM 1706 CG2 ILE A 116 -7.976 4.505 10.903 1.00 63.22 C ATOM 1707 CD1 ILE A 116 -9.003 1.312 10.551 1.00 34.35 C ATOM 0 H ILE A 116 -6.164 2.880 8.262 1.00 62.41 H new ATOM 0 HA ILE A 116 -5.394 4.225 10.772 1.00 4.41 H new ATOM 0 HB ILE A 116 -7.236 2.700 11.766 1.00 42.32 H new ATOM 0 HG12 ILE A 116 -8.595 2.839 9.119 1.00 74.21 H new ATOM 0 HG13 ILE A 116 -7.330 1.636 9.268 1.00 74.21 H new ATOM 0 HG21 ILE A 116 -8.994 4.350 11.260 1.00 63.22 H new ATOM 0 HG22 ILE A 116 -7.436 5.136 11.609 1.00 63.22 H new ATOM 0 HG23 ILE A 116 -8.004 4.993 9.929 1.00 63.22 H new ATOM 0 HD11 ILE A 116 -9.514 0.684 9.821 1.00 34.35 H new ATOM 0 HD12 ILE A 116 -8.452 0.682 11.250 1.00 34.35 H new ATOM 0 HD13 ILE A 116 -9.737 1.904 11.098 1.00 34.35 H new ATOM 1719 N LEU A 117 -3.999 2.296 11.459 1.00 73.21 N ATOM 1720 CA LEU A 117 -3.140 1.190 11.868 1.00 41.14 C ATOM 1721 C LEU A 117 -2.526 0.500 10.654 1.00 72.14 C ATOM 1722 O LEU A 117 -2.533 -0.727 10.555 1.00 3.11 O ATOM 1723 CB LEU A 117 -3.935 0.179 12.695 1.00 13.13 C ATOM 1724 CG LEU A 117 -3.114 -0.754 13.586 1.00 42.32 C ATOM 1725 CD1 LEU A 117 -2.309 0.046 14.598 1.00 13.55 C ATOM 1726 CD2 LEU A 117 -4.020 -1.753 14.291 1.00 3.40 C ATOM 0 H LEU A 117 -3.754 3.196 11.873 1.00 73.21 H new ATOM 0 HA LEU A 117 -2.334 1.596 12.479 1.00 41.14 H new ATOM 0 HB2 LEU A 117 -4.636 0.726 13.325 1.00 13.13 H new ATOM 0 HB3 LEU A 117 -4.528 -0.431 12.014 1.00 13.13 H new ATOM 0 HG LEU A 117 -2.418 -1.308 12.956 1.00 42.32 H new ATOM 0 HD11 LEU A 117 -1.731 -0.635 15.223 1.00 13.55 H new ATOM 0 HD12 LEU A 117 -1.632 0.720 14.073 1.00 13.55 H new ATOM 0 HD13 LEU A 117 -2.986 0.627 15.224 1.00 13.55 H new ATOM 0 HD21 LEU A 117 -3.418 -2.409 14.921 1.00 3.40 H new ATOM 0 HD22 LEU A 117 -4.741 -1.218 14.909 1.00 3.40 H new ATOM 0 HD23 LEU A 117 -4.551 -2.349 13.549 1.00 3.40 H new TER 1738 LEU A 117