USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 636 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 ASN : amide:sc= 0.372 K(o=0.77,f=-2) USER MOD Set 1.2: A 95 LYS NZ :NH3+ 174:sc= 0.394 (180deg=0) USER MOD Set 2.1: A 61 HIS : no HE2:sc= -2.3 X(o=-2.8,f=-3.2) USER MOD Set 2.2: A 63 THR OG1 : rot 180:sc= -0.529 USER MOD Set 3.1: A 48 THR OG1 : rot -174:sc= 0.03 USER MOD Set 3.2: A 86 SER OG : rot -68:sc= 0.0902 USER MOD Set 4.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 45 THR OG1 : rot 180:sc= -0.873 USER MOD Set 5.1: A 33 SER OG : rot 180:sc= -0.854 USER MOD Set 5.2: A 34 SER OG : rot -73:sc= 0.0272 USER MOD Set 6.1: A 11 THR OG1 : rot 65:sc= 1.8 USER MOD Set 6.2: A 21 SER OG : rot 82:sc= 1.27 USER MOD Single : A 5 THR OG1 : rot -19:sc= 0.784 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 153:sc= -0.558 (180deg=-1.81!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 77:sc= 0.185 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.6) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00225 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 57 ASN : amide:sc= -0.213 K(o=-0.21,f=-0.91) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 70 ASN : amide:sc= -2.23 K(o=-2.2,f=-3.7!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0.0309 USER MOD Single : A 84 ASN : amide:sc= -2.14 K(o=-2.1,f=-12!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 32:sc= 0.0289 USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 5 -16.534 14.282 20.052 1.00 1.11 N ATOM 47 CA THR A 5 -16.911 12.991 20.612 1.00 34.34 C ATOM 48 C THR A 5 -16.923 11.908 19.539 1.00 51.03 C ATOM 49 O THR A 5 -17.151 12.189 18.363 1.00 43.30 O ATOM 50 CB THR A 5 -18.297 13.051 21.281 1.00 35.34 C ATOM 51 OG1 THR A 5 -18.994 14.228 20.860 1.00 13.53 O ATOM 52 CG2 THR A 5 -18.168 13.047 22.796 1.00 32.22 C ATOM 0 HA THR A 5 -16.163 12.744 21.365 1.00 34.34 H new ATOM 0 HB THR A 5 -18.860 12.168 20.978 1.00 35.34 H new ATOM 0 HG1 THR A 5 -18.354 14.875 20.496 1.00 13.53 H new ATOM 0 HG21 THR A 5 -19.160 13.090 23.246 1.00 32.22 H new ATOM 0 HG22 THR A 5 -17.664 12.135 23.116 1.00 32.22 H new ATOM 0 HG23 THR A 5 -17.588 13.913 23.114 1.00 32.22 H new ATOM 60 N ALA A 6 -16.677 10.669 19.952 1.00 3.03 N ATOM 61 CA ALA A 6 -16.663 9.543 19.025 1.00 44.44 C ATOM 62 C ALA A 6 -17.665 8.474 19.445 1.00 33.43 C ATOM 63 O ALA A 6 -17.833 8.197 20.633 1.00 13.01 O ATOM 64 CB ALA A 6 -15.264 8.953 18.934 1.00 1.22 C ATOM 0 H ALA A 6 -16.485 10.419 20.922 1.00 3.03 H new ATOM 0 HA ALA A 6 -16.955 9.910 18.041 1.00 44.44 H new ATOM 0 HB1 ALA A 6 -15.268 8.113 18.239 1.00 1.22 H new ATOM 0 HB2 ALA A 6 -14.570 9.715 18.579 1.00 1.22 H new ATOM 0 HB3 ALA A 6 -14.950 8.607 19.919 1.00 1.22 H new ATOM 70 N THR A 7 -18.331 7.875 18.463 1.00 60.01 N ATOM 71 CA THR A 7 -19.319 6.836 18.731 1.00 55.23 C ATOM 72 C THR A 7 -19.080 5.612 17.855 1.00 52.23 C ATOM 73 O THR A 7 -19.296 5.652 16.643 1.00 30.13 O ATOM 74 CB THR A 7 -20.751 7.350 18.498 1.00 24.03 C ATOM 75 OG1 THR A 7 -20.838 8.736 18.844 1.00 60.32 O ATOM 76 CG2 THR A 7 -21.753 6.552 19.320 1.00 51.42 C ATOM 0 H THR A 7 -18.204 8.091 17.474 1.00 60.01 H new ATOM 0 HA THR A 7 -19.208 6.556 19.779 1.00 55.23 H new ATOM 0 HB THR A 7 -20.990 7.225 17.442 1.00 24.03 H new ATOM 0 HG1 THR A 7 -21.752 9.055 18.691 1.00 60.32 H new ATOM 0 HG21 THR A 7 -22.758 6.933 19.139 1.00 51.42 H new ATOM 0 HG22 THR A 7 -21.706 5.502 19.032 1.00 51.42 H new ATOM 0 HG23 THR A 7 -21.514 6.648 20.379 1.00 51.42 H new ATOM 84 N PHE A 8 -18.634 4.524 18.474 1.00 73.54 N ATOM 85 CA PHE A 8 -18.367 3.287 17.750 1.00 54.12 C ATOM 86 C PHE A 8 -19.658 2.684 17.207 1.00 63.32 C ATOM 87 O PHE A 8 -20.695 2.711 17.870 1.00 61.25 O ATOM 88 CB PHE A 8 -17.663 2.279 18.663 1.00 4.43 C ATOM 89 CG PHE A 8 -17.217 1.035 17.949 1.00 43.51 C ATOM 90 CD1 PHE A 8 -16.500 1.118 16.766 1.00 71.10 C ATOM 91 CD2 PHE A 8 -17.515 -0.217 18.461 1.00 53.32 C ATOM 92 CE1 PHE A 8 -16.089 -0.025 16.108 1.00 2.12 C ATOM 93 CE2 PHE A 8 -17.106 -1.364 17.808 1.00 12.24 C ATOM 94 CZ PHE A 8 -16.392 -1.268 16.629 1.00 53.43 C ATOM 0 H PHE A 8 -18.450 4.474 19.476 1.00 73.54 H new ATOM 0 HA PHE A 8 -17.716 3.522 16.908 1.00 54.12 H new ATOM 0 HB2 PHE A 8 -16.796 2.757 19.119 1.00 4.43 H new ATOM 0 HB3 PHE A 8 -18.337 2.002 19.473 1.00 4.43 H new ATOM 0 HD1 PHE A 8 -16.260 2.087 16.354 1.00 71.10 H new ATOM 0 HD2 PHE A 8 -18.074 -0.298 19.382 1.00 53.32 H new ATOM 0 HE1 PHE A 8 -15.531 0.053 15.187 1.00 2.12 H new ATOM 0 HE2 PHE A 8 -17.344 -2.334 18.219 1.00 12.24 H new ATOM 0 HZ PHE A 8 -16.072 -2.163 16.116 1.00 53.43 H new ATOM 104 N ALA A 9 -19.587 2.140 15.997 1.00 24.31 N ATOM 105 CA ALA A 9 -20.750 1.529 15.366 1.00 25.14 C ATOM 106 C ALA A 9 -20.341 0.363 14.472 1.00 31.40 C ATOM 107 O ALA A 9 -19.248 0.355 13.906 1.00 43.14 O ATOM 108 CB ALA A 9 -21.521 2.566 14.562 1.00 42.01 C ATOM 0 H ALA A 9 -18.737 2.110 15.434 1.00 24.31 H new ATOM 0 HA ALA A 9 -21.396 1.141 16.153 1.00 25.14 H new ATOM 0 HB1 ALA A 9 -22.387 2.095 14.096 1.00 42.01 H new ATOM 0 HB2 ALA A 9 -21.855 3.365 15.224 1.00 42.01 H new ATOM 0 HB3 ALA A 9 -20.874 2.981 13.789 1.00 42.01 H new ATOM 114 N LYS A 10 -21.224 -0.623 14.351 1.00 75.24 N ATOM 115 CA LYS A 10 -20.955 -1.795 13.527 1.00 22.14 C ATOM 116 C LYS A 10 -21.601 -1.653 12.152 1.00 31.32 C ATOM 117 O LYS A 10 -22.814 -1.471 12.041 1.00 42.22 O ATOM 118 CB LYS A 10 -21.471 -3.060 14.217 1.00 50.45 C ATOM 119 CG LYS A 10 -20.468 -4.200 14.227 1.00 73.22 C ATOM 120 CD LYS A 10 -20.554 -5.028 12.957 1.00 33.43 C ATOM 121 CE LYS A 10 -19.175 -5.446 12.469 1.00 0.01 C ATOM 122 NZ LYS A 10 -18.507 -6.374 13.422 1.00 73.14 N ATOM 0 H LYS A 10 -22.133 -0.633 14.814 1.00 75.24 H new ATOM 0 HA LYS A 10 -19.876 -1.876 13.396 1.00 22.14 H new ATOM 0 HB2 LYS A 10 -21.743 -2.818 15.244 1.00 50.45 H new ATOM 0 HB3 LYS A 10 -22.380 -3.392 13.716 1.00 50.45 H new ATOM 0 HG2 LYS A 10 -19.460 -3.798 14.333 1.00 73.22 H new ATOM 0 HG3 LYS A 10 -20.650 -4.838 15.092 1.00 73.22 H new ATOM 0 HD2 LYS A 10 -21.160 -5.915 13.140 1.00 33.43 H new ATOM 0 HD3 LYS A 10 -21.057 -4.453 12.180 1.00 33.43 H new ATOM 0 HE2 LYS A 10 -19.265 -5.928 11.496 1.00 0.01 H new ATOM 0 HE3 LYS A 10 -18.555 -4.560 12.330 1.00 0.01 H new ATOM 0 HZ1 LYS A 10 -17.836 -6.978 12.906 1.00 73.14 H new ATOM 0 HZ2 LYS A 10 -17.996 -5.824 14.141 1.00 73.14 H new ATOM 0 HZ3 LYS A 10 -19.222 -6.970 13.886 1.00 73.14 H new ATOM 136 N THR A 11 -20.784 -1.740 11.107 1.00 62.42 N ATOM 137 CA THR A 11 -21.277 -1.622 9.741 1.00 13.05 C ATOM 138 C THR A 11 -21.715 -2.976 9.195 1.00 22.32 C ATOM 139 O THR A 11 -22.869 -3.155 8.805 1.00 42.32 O ATOM 140 CB THR A 11 -20.206 -1.028 8.807 1.00 53.21 C ATOM 141 OG1 THR A 11 -19.332 -0.168 9.548 1.00 1.22 O ATOM 142 CG2 THR A 11 -20.851 -0.248 7.671 1.00 53.45 C ATOM 0 H THR A 11 -19.778 -1.892 11.181 1.00 62.42 H new ATOM 0 HA THR A 11 -22.135 -0.951 9.772 1.00 13.05 H new ATOM 0 HB THR A 11 -19.631 -1.850 8.381 1.00 53.21 H new ATOM 0 HG1 THR A 11 -18.829 -0.697 10.201 1.00 1.22 H new ATOM 0 HG21 THR A 11 -20.075 0.162 7.025 1.00 53.45 H new ATOM 0 HG22 THR A 11 -21.492 -0.912 7.092 1.00 53.45 H new ATOM 0 HG23 THR A 11 -21.449 0.566 8.082 1.00 53.45 H new ATOM 150 N SER A 12 -20.788 -3.928 9.172 1.00 32.13 N ATOM 151 CA SER A 12 -21.078 -5.267 8.671 1.00 70.13 C ATOM 152 C SER A 12 -19.847 -6.162 8.768 1.00 71.41 C ATOM 153 O SER A 12 -18.731 -5.736 8.469 1.00 32.22 O ATOM 154 CB SER A 12 -21.560 -5.198 7.221 1.00 65.14 C ATOM 155 OG SER A 12 -21.090 -6.306 6.474 1.00 34.11 O ATOM 0 H SER A 12 -19.829 -3.797 9.495 1.00 32.13 H new ATOM 0 HA SER A 12 -21.867 -5.696 9.289 1.00 70.13 H new ATOM 0 HB2 SER A 12 -22.650 -5.175 7.197 1.00 65.14 H new ATOM 0 HB3 SER A 12 -21.212 -4.272 6.762 1.00 65.14 H new ATOM 0 HG SER A 12 -21.413 -6.239 5.551 1.00 34.11 H new ATOM 161 N ASP A 13 -20.058 -7.404 9.187 1.00 22.42 N ATOM 162 CA ASP A 13 -18.967 -8.363 9.323 1.00 42.45 C ATOM 163 C ASP A 13 -19.141 -9.526 8.352 1.00 72.31 C ATOM 164 O ASP A 13 -20.193 -10.164 8.316 1.00 65.10 O ATOM 165 CB ASP A 13 -18.895 -8.885 10.759 1.00 14.40 C ATOM 166 CG ASP A 13 -18.103 -10.174 10.866 1.00 24.53 C ATOM 167 OD1 ASP A 13 -18.650 -11.238 10.504 1.00 64.35 O ATOM 168 OD2 ASP A 13 -16.938 -10.119 11.309 1.00 33.32 O ATOM 0 H ASP A 13 -20.976 -7.772 9.439 1.00 22.42 H new ATOM 0 HA ASP A 13 -18.034 -7.852 9.084 1.00 42.45 H new ATOM 0 HB2 ASP A 13 -18.439 -8.127 11.396 1.00 14.40 H new ATOM 0 HB3 ASP A 13 -19.905 -9.050 11.134 1.00 14.40 H new ATOM 173 N TRP A 14 -18.104 -9.796 7.568 1.00 63.42 N ATOM 174 CA TRP A 14 -18.143 -10.882 6.596 1.00 64.12 C ATOM 175 C TRP A 14 -17.212 -12.017 7.010 1.00 42.22 C ATOM 176 O TRP A 14 -16.060 -12.073 6.585 1.00 73.21 O ATOM 177 CB TRP A 14 -17.754 -10.368 5.209 1.00 41.03 C ATOM 178 CG TRP A 14 -16.548 -9.478 5.222 1.00 23.34 C ATOM 179 CD1 TRP A 14 -15.258 -9.841 4.957 1.00 24.43 C ATOM 180 CD2 TRP A 14 -16.519 -8.077 5.518 1.00 23.33 C ATOM 181 NE1 TRP A 14 -14.431 -8.751 5.069 1.00 75.35 N ATOM 182 CE2 TRP A 14 -15.180 -7.657 5.412 1.00 43.34 C ATOM 183 CE3 TRP A 14 -17.496 -7.137 5.859 1.00 12.03 C ATOM 184 CZ2 TRP A 14 -14.794 -6.338 5.638 1.00 4.51 C ATOM 185 CZ3 TRP A 14 -17.112 -5.829 6.083 1.00 13.40 C ATOM 186 CH2 TRP A 14 -15.770 -5.439 5.970 1.00 45.13 C ATOM 0 H TRP A 14 -17.226 -9.278 7.586 1.00 63.42 H new ATOM 0 HA TRP A 14 -19.162 -11.267 6.560 1.00 64.12 H new ATOM 0 HB2 TRP A 14 -17.562 -11.219 4.555 1.00 41.03 H new ATOM 0 HB3 TRP A 14 -18.595 -9.822 4.783 1.00 41.03 H new ATOM 0 HD1 TRP A 14 -14.936 -10.839 4.698 1.00 24.43 H new ATOM 0 HE1 TRP A 14 -13.422 -8.755 4.921 1.00 75.35 H new ATOM 0 HE3 TRP A 14 -18.532 -7.428 5.946 1.00 12.03 H new ATOM 0 HZ2 TRP A 14 -13.761 -6.036 5.554 1.00 4.51 H new ATOM 0 HZ3 TRP A 14 -17.858 -5.095 6.350 1.00 13.40 H new ATOM 0 HH2 TRP A 14 -15.502 -4.408 6.149 1.00 45.13 H new ATOM 197 N GLY A 15 -17.722 -12.920 7.843 1.00 52.50 N ATOM 198 CA GLY A 15 -16.921 -14.041 8.300 1.00 31.02 C ATOM 199 C GLY A 15 -15.889 -13.634 9.333 1.00 51.21 C ATOM 200 O GLY A 15 -16.154 -13.669 10.535 1.00 41.45 O ATOM 0 H GLY A 15 -18.674 -12.895 8.209 1.00 52.50 H new ATOM 0 HA2 GLY A 15 -17.576 -14.802 8.725 1.00 31.02 H new ATOM 0 HA3 GLY A 15 -16.417 -14.495 7.447 1.00 31.02 H new ATOM 204 N THR A 16 -14.706 -13.247 8.865 1.00 12.42 N ATOM 205 CA THR A 16 -13.629 -12.834 9.756 1.00 12.44 C ATOM 206 C THR A 16 -13.407 -11.328 9.688 1.00 4.41 C ATOM 207 O THR A 16 -12.787 -10.741 10.573 1.00 35.31 O ATOM 208 CB THR A 16 -12.310 -13.552 9.412 1.00 41.12 C ATOM 209 OG1 THR A 16 -11.264 -13.094 10.277 1.00 4.33 O ATOM 210 CG2 THR A 16 -11.921 -13.306 7.962 1.00 45.51 C ATOM 0 H THR A 16 -14.470 -13.211 7.873 1.00 12.42 H new ATOM 0 HA THR A 16 -13.931 -13.109 10.767 1.00 12.44 H new ATOM 0 HB THR A 16 -12.457 -14.623 9.554 1.00 41.12 H new ATOM 0 HG1 THR A 16 -10.429 -13.556 10.054 1.00 4.33 H new ATOM 0 HG21 THR A 16 -10.987 -13.823 7.743 1.00 45.51 H new ATOM 0 HG22 THR A 16 -12.706 -13.682 7.306 1.00 45.51 H new ATOM 0 HG23 THR A 16 -11.791 -12.236 7.797 1.00 45.51 H new ATOM 218 N GLY A 17 -13.920 -10.705 8.630 1.00 51.14 N ATOM 219 CA GLY A 17 -13.767 -9.271 8.468 1.00 65.04 C ATOM 220 C GLY A 17 -14.871 -8.489 9.152 1.00 13.22 C ATOM 221 O GLY A 17 -16.020 -8.930 9.193 1.00 53.44 O ATOM 0 H GLY A 17 -14.438 -11.168 7.883 1.00 51.14 H new ATOM 0 HA2 GLY A 17 -12.803 -8.963 8.874 1.00 65.04 H new ATOM 0 HA3 GLY A 17 -13.758 -9.027 7.406 1.00 65.04 H new ATOM 225 N PHE A 18 -14.523 -7.326 9.692 1.00 52.53 N ATOM 226 CA PHE A 18 -15.492 -6.482 10.381 1.00 60.21 C ATOM 227 C PHE A 18 -15.446 -5.054 9.847 1.00 45.21 C ATOM 228 O PHE A 18 -14.374 -4.513 9.578 1.00 35.44 O ATOM 229 CB PHE A 18 -15.224 -6.485 11.887 1.00 53.54 C ATOM 230 CG PHE A 18 -14.044 -5.644 12.287 1.00 34.12 C ATOM 231 CD1 PHE A 18 -14.198 -4.295 12.556 1.00 40.33 C ATOM 232 CD2 PHE A 18 -12.782 -6.205 12.394 1.00 32.31 C ATOM 233 CE1 PHE A 18 -13.114 -3.519 12.923 1.00 70.22 C ATOM 234 CE2 PHE A 18 -11.694 -5.435 12.761 1.00 35.24 C ATOM 235 CZ PHE A 18 -11.861 -4.091 13.027 1.00 35.12 C ATOM 0 H PHE A 18 -13.577 -6.946 9.666 1.00 52.53 H new ATOM 0 HA PHE A 18 -16.486 -6.888 10.196 1.00 60.21 H new ATOM 0 HB2 PHE A 18 -16.111 -6.123 12.407 1.00 53.54 H new ATOM 0 HB3 PHE A 18 -15.058 -7.511 12.217 1.00 53.54 H new ATOM 0 HD1 PHE A 18 -15.176 -3.843 12.478 1.00 40.33 H new ATOM 0 HD2 PHE A 18 -12.646 -7.257 12.188 1.00 32.31 H new ATOM 0 HE1 PHE A 18 -13.247 -2.467 13.128 1.00 70.22 H new ATOM 0 HE2 PHE A 18 -10.715 -5.884 12.839 1.00 35.24 H new ATOM 0 HZ PHE A 18 -11.013 -3.487 13.316 1.00 35.12 H new ATOM 245 N GLY A 19 -16.619 -4.446 9.696 1.00 2.55 N ATOM 246 CA GLY A 19 -16.692 -3.087 9.194 1.00 51.44 C ATOM 247 C GLY A 19 -16.879 -2.069 10.301 1.00 44.35 C ATOM 248 O GLY A 19 -17.967 -1.946 10.863 1.00 50.30 O ATOM 0 H GLY A 19 -17.520 -4.871 9.913 1.00 2.55 H new ATOM 0 HA2 GLY A 19 -15.780 -2.857 8.643 1.00 51.44 H new ATOM 0 HA3 GLY A 19 -17.519 -3.008 8.488 1.00 51.44 H new ATOM 252 N GLY A 20 -15.815 -1.337 10.619 1.00 4.15 N ATOM 253 CA GLY A 20 -15.889 -0.336 11.667 1.00 1.21 C ATOM 254 C GLY A 20 -16.577 0.934 11.208 1.00 0.44 C ATOM 255 O GLY A 20 -16.387 1.376 10.074 1.00 40.22 O ATOM 0 H GLY A 20 -14.903 -1.420 10.169 1.00 4.15 H new ATOM 0 HA2 GLY A 20 -16.426 -0.748 12.521 1.00 1.21 H new ATOM 0 HA3 GLY A 20 -14.882 -0.097 12.009 1.00 1.21 H new ATOM 259 N SER A 21 -17.379 1.522 12.088 1.00 53.13 N ATOM 260 CA SER A 21 -18.102 2.747 11.766 1.00 1.22 C ATOM 261 C SER A 21 -17.970 3.769 12.891 1.00 32.21 C ATOM 262 O SER A 21 -18.734 3.747 13.856 1.00 71.11 O ATOM 263 CB SER A 21 -19.580 2.440 11.512 1.00 13.44 C ATOM 264 OG SER A 21 -19.846 2.325 10.125 1.00 11.53 O ATOM 0 H SER A 21 -17.545 1.170 13.031 1.00 53.13 H new ATOM 0 HA SER A 21 -17.665 3.170 10.862 1.00 1.22 H new ATOM 0 HB2 SER A 21 -19.854 1.513 12.016 1.00 13.44 H new ATOM 0 HB3 SER A 21 -20.197 3.230 11.940 1.00 13.44 H new ATOM 0 HG SER A 21 -19.596 1.429 9.817 1.00 11.53 H new ATOM 270 N TRP A 22 -16.996 4.661 12.759 1.00 3.32 N ATOM 271 CA TRP A 22 -16.763 5.692 13.764 1.00 1.54 C ATOM 272 C TRP A 22 -17.561 6.952 13.447 1.00 22.43 C ATOM 273 O TRP A 22 -17.627 7.387 12.298 1.00 12.44 O ATOM 274 CB TRP A 22 -15.272 6.026 13.845 1.00 4.12 C ATOM 275 CG TRP A 22 -14.449 4.927 14.445 1.00 12.41 C ATOM 276 CD1 TRP A 22 -13.704 4.000 13.772 1.00 21.05 C ATOM 277 CD2 TRP A 22 -14.288 4.640 15.837 1.00 33.41 C ATOM 278 NE1 TRP A 22 -13.091 3.153 14.664 1.00 4.11 N ATOM 279 CE2 TRP A 22 -13.432 3.525 15.937 1.00 33.30 C ATOM 280 CE3 TRP A 22 -14.782 5.215 17.011 1.00 41.51 C ATOM 281 CZ2 TRP A 22 -13.063 2.978 17.162 1.00 74.11 C ATOM 282 CZ3 TRP A 22 -14.414 4.671 18.227 1.00 33.02 C ATOM 283 CH2 TRP A 22 -13.561 3.562 18.295 1.00 54.33 C ATOM 0 H TRP A 22 -16.355 4.692 11.966 1.00 3.32 H new ATOM 0 HA TRP A 22 -17.096 5.306 14.728 1.00 1.54 H new ATOM 0 HB2 TRP A 22 -14.901 6.243 12.843 1.00 4.12 H new ATOM 0 HB3 TRP A 22 -15.142 6.932 14.436 1.00 4.12 H new ATOM 0 HD1 TRP A 22 -13.611 3.942 12.698 1.00 21.05 H new ATOM 0 HE1 TRP A 22 -12.481 2.374 14.418 1.00 4.11 H new ATOM 0 HE3 TRP A 22 -15.440 6.070 16.969 1.00 41.51 H new ATOM 0 HZ2 TRP A 22 -12.406 2.122 17.217 1.00 74.11 H new ATOM 0 HZ3 TRP A 22 -14.790 5.108 19.140 1.00 33.02 H new ATOM 0 HH2 TRP A 22 -13.291 3.160 19.260 1.00 54.33 H new ATOM 294 N THR A 23 -18.171 7.535 14.476 1.00 14.51 N ATOM 295 CA THR A 23 -18.966 8.744 14.307 1.00 21.12 C ATOM 296 C THR A 23 -18.314 9.934 15.002 1.00 32.03 C ATOM 297 O THR A 23 -18.338 10.039 16.228 1.00 53.11 O ATOM 298 CB THR A 23 -20.392 8.560 14.860 1.00 71.11 C ATOM 299 OG1 THR A 23 -20.888 7.263 14.513 1.00 20.53 O ATOM 300 CG2 THR A 23 -21.327 9.629 14.314 1.00 73.52 C ATOM 0 H THR A 23 -18.129 7.188 15.434 1.00 14.51 H new ATOM 0 HA THR A 23 -19.021 8.938 13.236 1.00 21.12 H new ATOM 0 HB THR A 23 -20.352 8.655 15.945 1.00 71.11 H new ATOM 0 HG1 THR A 23 -20.483 6.590 15.099 1.00 20.53 H new ATOM 0 HG21 THR A 23 -22.328 9.478 14.719 1.00 73.52 H new ATOM 0 HG22 THR A 23 -20.963 10.614 14.605 1.00 73.52 H new ATOM 0 HG23 THR A 23 -21.361 9.561 13.227 1.00 73.52 H new ATOM 308 N VAL A 24 -17.731 10.828 14.209 1.00 74.13 N ATOM 309 CA VAL A 24 -17.073 12.012 14.749 1.00 73.20 C ATOM 310 C VAL A 24 -18.000 13.222 14.712 1.00 31.35 C ATOM 311 O VAL A 24 -18.625 13.507 13.691 1.00 65.43 O ATOM 312 CB VAL A 24 -15.786 12.342 13.970 1.00 55.14 C ATOM 313 CG1 VAL A 24 -15.003 13.441 14.673 1.00 72.14 C ATOM 314 CG2 VAL A 24 -14.932 11.095 13.799 1.00 23.33 C ATOM 0 H VAL A 24 -17.701 10.755 13.192 1.00 74.13 H new ATOM 0 HA VAL A 24 -16.816 11.787 15.784 1.00 73.20 H new ATOM 0 HB VAL A 24 -16.064 12.703 12.980 1.00 55.14 H new ATOM 0 HG11 VAL A 24 -14.097 13.661 14.108 1.00 72.14 H new ATOM 0 HG12 VAL A 24 -15.616 14.340 14.739 1.00 72.14 H new ATOM 0 HG13 VAL A 24 -14.734 13.111 15.676 1.00 72.14 H new ATOM 0 HG21 VAL A 24 -14.027 11.347 13.246 1.00 23.33 H new ATOM 0 HG22 VAL A 24 -14.661 10.702 14.779 1.00 23.33 H new ATOM 0 HG23 VAL A 24 -15.495 10.341 13.249 1.00 23.33 H new ATOM 324 N LYS A 25 -18.084 13.931 15.833 1.00 13.12 N ATOM 325 CA LYS A 25 -18.933 15.111 15.930 1.00 22.10 C ATOM 326 C LYS A 25 -18.220 16.236 16.674 1.00 13.34 C ATOM 327 O LYS A 25 -17.784 16.061 17.811 1.00 23.40 O ATOM 328 CB LYS A 25 -20.243 14.766 16.641 1.00 71.42 C ATOM 329 CG LYS A 25 -21.479 15.285 15.927 1.00 34.35 C ATOM 330 CD LYS A 25 -22.443 15.952 16.894 1.00 0.51 C ATOM 331 CE LYS A 25 -23.146 14.931 17.776 1.00 52.54 C ATOM 332 NZ LYS A 25 -24.234 15.551 18.582 1.00 11.04 N ATOM 0 H LYS A 25 -17.574 13.708 16.687 1.00 13.12 H new ATOM 0 HA LYS A 25 -19.154 15.451 14.918 1.00 22.10 H new ATOM 0 HB2 LYS A 25 -20.319 13.683 16.739 1.00 71.42 H new ATOM 0 HB3 LYS A 25 -20.218 15.177 17.650 1.00 71.42 H new ATOM 0 HG2 LYS A 25 -21.183 15.998 15.157 1.00 34.35 H new ATOM 0 HG3 LYS A 25 -21.982 14.460 15.422 1.00 34.35 H new ATOM 0 HD2 LYS A 25 -21.900 16.661 17.519 1.00 0.51 H new ATOM 0 HD3 LYS A 25 -23.184 16.522 16.334 1.00 0.51 H new ATOM 0 HE2 LYS A 25 -23.561 14.138 17.154 1.00 52.54 H new ATOM 0 HE3 LYS A 25 -22.420 14.466 18.443 1.00 52.54 H new ATOM 0 HZ1 LYS A 25 -24.689 14.823 19.170 1.00 11.04 H new ATOM 0 HZ2 LYS A 25 -23.834 16.290 19.194 1.00 11.04 H new ATOM 0 HZ3 LYS A 25 -24.940 15.973 17.946 1.00 11.04 H new ATOM 346 N ASN A 26 -18.104 17.389 16.024 1.00 1.34 N ATOM 347 CA ASN A 26 -17.444 18.542 16.625 1.00 11.33 C ATOM 348 C ASN A 26 -18.422 19.700 16.797 1.00 71.12 C ATOM 349 O ASN A 26 -18.766 20.386 15.835 1.00 11.23 O ATOM 350 CB ASN A 26 -16.259 18.984 15.763 1.00 62.23 C ATOM 351 CG ASN A 26 -15.542 17.813 15.122 1.00 13.03 C ATOM 352 OD1 ASN A 26 -15.234 17.835 13.931 1.00 51.41 O ATOM 353 ND2 ASN A 26 -15.272 16.780 15.912 1.00 62.40 N ATOM 0 H ASN A 26 -18.458 17.550 15.081 1.00 1.34 H new ATOM 0 HA ASN A 26 -17.079 18.249 17.609 1.00 11.33 H new ATOM 0 HB2 ASN A 26 -16.612 19.661 14.985 1.00 62.23 H new ATOM 0 HB3 ASN A 26 -15.555 19.545 16.378 1.00 62.23 H new ATOM 0 HD21 ASN A 26 -14.791 15.963 15.536 1.00 62.40 H new ATOM 0 HD22 ASN A 26 -15.546 16.804 16.894 1.00 62.40 H new ATOM 360 N THR A 27 -18.867 19.914 18.032 1.00 34.21 N ATOM 361 CA THR A 27 -19.805 20.988 18.332 1.00 33.13 C ATOM 362 C THR A 27 -19.774 21.347 19.813 1.00 74.30 C ATOM 363 O THR A 27 -19.861 20.474 20.676 1.00 61.31 O ATOM 364 CB THR A 27 -21.243 20.602 17.938 1.00 61.25 C ATOM 365 OG1 THR A 27 -22.136 21.686 18.224 1.00 12.04 O ATOM 366 CG2 THR A 27 -21.694 19.357 18.688 1.00 4.43 C ATOM 0 H THR A 27 -18.592 19.357 18.841 1.00 34.21 H new ATOM 0 HA THR A 27 -19.495 21.853 17.746 1.00 33.13 H new ATOM 0 HB THR A 27 -21.259 20.389 16.869 1.00 61.25 H new ATOM 0 HG1 THR A 27 -23.048 21.434 17.969 1.00 12.04 H new ATOM 0 HG21 THR A 27 -22.712 19.104 18.393 1.00 4.43 H new ATOM 0 HG22 THR A 27 -21.030 18.527 18.448 1.00 4.43 H new ATOM 0 HG23 THR A 27 -21.663 19.547 19.761 1.00 4.43 H new ATOM 374 N GLY A 28 -19.650 22.639 20.102 1.00 52.55 N ATOM 375 CA GLY A 28 -19.611 23.091 21.480 1.00 55.21 C ATOM 376 C GLY A 28 -18.494 24.085 21.732 1.00 72.15 C ATOM 377 O GLY A 28 -18.603 24.945 22.608 1.00 12.20 O ATOM 0 H GLY A 28 -19.576 23.381 19.406 1.00 52.55 H new ATOM 0 HA2 GLY A 28 -20.566 23.550 21.736 1.00 55.21 H new ATOM 0 HA3 GLY A 28 -19.484 22.231 22.138 1.00 55.21 H new ATOM 381 N THR A 29 -17.415 23.970 20.964 1.00 71.41 N ATOM 382 CA THR A 29 -16.273 24.863 21.111 1.00 20.03 C ATOM 383 C THR A 29 -16.176 25.828 19.935 1.00 3.25 C ATOM 384 O THR A 29 -16.969 25.759 18.994 1.00 54.53 O ATOM 385 CB THR A 29 -14.955 24.076 21.224 1.00 35.12 C ATOM 386 OG1 THR A 29 -14.987 22.938 20.355 1.00 61.41 O ATOM 387 CG2 THR A 29 -14.718 23.620 22.656 1.00 34.42 C ATOM 0 H THR A 29 -17.308 23.266 20.233 1.00 71.41 H new ATOM 0 HA THR A 29 -16.430 25.428 22.030 1.00 20.03 H new ATOM 0 HB THR A 29 -14.138 24.735 20.929 1.00 35.12 H new ATOM 0 HG1 THR A 29 -14.144 22.444 20.432 1.00 61.41 H new ATOM 0 HG21 THR A 29 -13.781 23.066 22.711 1.00 34.42 H new ATOM 0 HG22 THR A 29 -14.664 24.490 23.311 1.00 34.42 H new ATOM 0 HG23 THR A 29 -15.539 22.977 22.974 1.00 34.42 H new ATOM 395 N THR A 30 -15.199 26.727 19.992 1.00 43.25 N ATOM 396 CA THR A 30 -14.998 27.707 18.932 1.00 20.04 C ATOM 397 C THR A 30 -14.722 27.024 17.597 1.00 25.24 C ATOM 398 O THR A 30 -14.834 25.804 17.478 1.00 74.51 O ATOM 399 CB THR A 30 -13.832 28.658 19.259 1.00 60.25 C ATOM 400 OG1 THR A 30 -12.587 27.957 19.166 1.00 55.25 O ATOM 401 CG2 THR A 30 -13.987 29.245 20.655 1.00 3.21 C ATOM 0 H THR A 30 -14.534 26.797 20.762 1.00 43.25 H new ATOM 0 HA THR A 30 -15.919 28.285 18.858 1.00 20.04 H new ATOM 0 HB THR A 30 -13.844 29.474 18.536 1.00 60.25 H new ATOM 0 HG1 THR A 30 -11.851 28.569 19.374 1.00 55.25 H new ATOM 0 HG21 THR A 30 -13.152 29.913 20.863 1.00 3.21 H new ATOM 0 HG22 THR A 30 -14.922 29.803 20.713 1.00 3.21 H new ATOM 0 HG23 THR A 30 -13.999 28.439 21.389 1.00 3.21 H new ATOM 409 N SER A 31 -14.361 27.818 16.594 1.00 53.25 N ATOM 410 CA SER A 31 -14.071 27.290 15.267 1.00 11.30 C ATOM 411 C SER A 31 -13.072 26.140 15.346 1.00 33.53 C ATOM 412 O SER A 31 -12.035 26.247 16.002 1.00 22.25 O ATOM 413 CB SER A 31 -13.522 28.395 14.363 1.00 63.14 C ATOM 414 OG SER A 31 -14.401 29.507 14.327 1.00 55.14 O ATOM 0 H SER A 31 -14.262 28.830 16.676 1.00 53.25 H new ATOM 0 HA SER A 31 -15.001 26.912 14.843 1.00 11.30 H new ATOM 0 HB2 SER A 31 -12.544 28.712 14.724 1.00 63.14 H new ATOM 0 HB3 SER A 31 -13.379 28.007 13.354 1.00 63.14 H new ATOM 0 HG SER A 31 -14.027 30.201 13.744 1.00 55.14 H new ATOM 420 N LEU A 32 -13.392 25.040 14.673 1.00 33.23 N ATOM 421 CA LEU A 32 -12.523 23.868 14.666 1.00 11.35 C ATOM 422 C LEU A 32 -11.606 23.876 13.446 1.00 50.05 C ATOM 423 O LEU A 32 -11.613 24.822 12.659 1.00 64.11 O ATOM 424 CB LEU A 32 -13.361 22.587 14.678 1.00 52.25 C ATOM 425 CG LEU A 32 -13.198 21.692 15.907 1.00 21.33 C ATOM 426 CD1 LEU A 32 -14.294 21.974 16.923 1.00 45.23 C ATOM 427 CD2 LEU A 32 -13.210 20.225 15.502 1.00 34.12 C ATOM 0 H LEU A 32 -14.246 24.935 14.125 1.00 33.23 H new ATOM 0 HA LEU A 32 -11.905 23.900 15.563 1.00 11.35 H new ATOM 0 HB2 LEU A 32 -14.412 22.863 14.591 1.00 52.25 H new ATOM 0 HB3 LEU A 32 -13.110 22.004 13.792 1.00 52.25 H new ATOM 0 HG LEU A 32 -12.236 21.914 16.370 1.00 21.33 H new ATOM 0 HD11 LEU A 32 -14.161 21.327 17.790 1.00 45.23 H new ATOM 0 HD12 LEU A 32 -14.240 23.017 17.236 1.00 45.23 H new ATOM 0 HD13 LEU A 32 -15.267 21.780 16.472 1.00 45.23 H new ATOM 0 HD21 LEU A 32 -13.093 19.602 16.389 1.00 34.12 H new ATOM 0 HD22 LEU A 32 -14.157 19.990 15.015 1.00 34.12 H new ATOM 0 HD23 LEU A 32 -12.389 20.031 14.812 1.00 34.12 H new ATOM 439 N SER A 33 -10.818 22.817 13.297 1.00 34.40 N ATOM 440 CA SER A 33 -9.895 22.703 12.175 1.00 51.44 C ATOM 441 C SER A 33 -9.865 21.276 11.638 1.00 12.34 C ATOM 442 O SER A 33 -10.053 21.046 10.443 1.00 54.02 O ATOM 443 CB SER A 33 -8.488 23.130 12.600 1.00 14.34 C ATOM 444 OG SER A 33 -7.505 22.275 12.042 1.00 13.14 O ATOM 0 H SER A 33 -10.800 22.025 13.940 1.00 34.40 H new ATOM 0 HA SER A 33 -10.244 23.363 11.381 1.00 51.44 H new ATOM 0 HB2 SER A 33 -8.305 24.156 12.282 1.00 14.34 H new ATOM 0 HB3 SER A 33 -8.413 23.115 13.687 1.00 14.34 H new ATOM 0 HG SER A 33 -6.615 22.570 12.327 1.00 13.14 H new ATOM 450 N SER A 34 -9.627 20.319 12.530 1.00 2.13 N ATOM 451 CA SER A 34 -9.568 18.913 12.146 1.00 64.32 C ATOM 452 C SER A 34 -9.933 18.014 13.323 1.00 31.13 C ATOM 453 O SER A 34 -10.156 18.489 14.437 1.00 45.40 O ATOM 454 CB SER A 34 -8.171 18.560 11.634 1.00 11.41 C ATOM 455 OG SER A 34 -7.168 19.061 12.501 1.00 44.31 O ATOM 0 H SER A 34 -9.472 20.492 13.523 1.00 2.13 H new ATOM 0 HA SER A 34 -10.291 18.749 11.347 1.00 64.32 H new ATOM 0 HB2 SER A 34 -8.074 17.478 11.548 1.00 11.41 H new ATOM 0 HB3 SER A 34 -8.032 18.973 10.635 1.00 11.41 H new ATOM 0 HG SER A 34 -7.104 20.034 12.400 1.00 44.31 H new ATOM 461 N TRP A 35 -9.991 16.712 13.068 1.00 71.43 N ATOM 462 CA TRP A 35 -10.328 15.744 14.106 1.00 21.42 C ATOM 463 C TRP A 35 -9.452 14.501 13.997 1.00 74.25 C ATOM 464 O TRP A 35 -9.358 13.886 12.935 1.00 11.51 O ATOM 465 CB TRP A 35 -11.804 15.353 14.008 1.00 44.34 C ATOM 466 CG TRP A 35 -12.242 15.038 12.610 1.00 5.34 C ATOM 467 CD1 TRP A 35 -12.723 15.920 11.683 1.00 34.34 C ATOM 468 CD2 TRP A 35 -12.243 13.752 11.981 1.00 52.21 C ATOM 469 NE1 TRP A 35 -13.022 15.257 10.516 1.00 2.10 N ATOM 470 CE2 TRP A 35 -12.736 13.927 10.673 1.00 14.10 C ATOM 471 CE3 TRP A 35 -11.873 12.469 12.394 1.00 51.14 C ATOM 472 CZ2 TRP A 35 -12.868 12.868 9.779 1.00 71.23 C ATOM 473 CZ3 TRP A 35 -12.005 11.418 11.507 1.00 42.42 C ATOM 474 CH2 TRP A 35 -12.498 11.623 10.211 1.00 2.24 C ATOM 0 H TRP A 35 -9.809 16.302 12.152 1.00 71.43 H new ATOM 0 HA TRP A 35 -10.146 16.210 15.075 1.00 21.42 H new ATOM 0 HB2 TRP A 35 -11.986 14.486 14.642 1.00 44.34 H new ATOM 0 HB3 TRP A 35 -12.415 16.167 14.398 1.00 44.34 H new ATOM 0 HD1 TRP A 35 -12.849 16.981 11.843 1.00 34.34 H new ATOM 0 HE1 TRP A 35 -13.396 15.687 9.670 1.00 2.10 H new ATOM 0 HE3 TRP A 35 -11.490 12.302 13.390 1.00 51.14 H new ATOM 0 HZ2 TRP A 35 -13.249 13.023 8.780 1.00 71.23 H new ATOM 0 HZ3 TRP A 35 -11.724 10.422 11.817 1.00 42.42 H new ATOM 0 HH2 TRP A 35 -12.588 10.782 9.540 1.00 2.24 H new ATOM 485 N THR A 36 -8.812 14.135 15.103 1.00 74.22 N ATOM 486 CA THR A 36 -7.942 12.965 15.132 1.00 42.44 C ATOM 487 C THR A 36 -8.515 11.876 16.029 1.00 61.30 C ATOM 488 O THR A 36 -8.467 11.977 17.255 1.00 70.32 O ATOM 489 CB THR A 36 -6.528 13.329 15.623 1.00 2.11 C ATOM 490 OG1 THR A 36 -6.048 14.483 14.923 1.00 31.53 O ATOM 491 CG2 THR A 36 -5.568 12.167 15.416 1.00 41.21 C ATOM 0 H THR A 36 -8.880 14.632 15.991 1.00 74.22 H new ATOM 0 HA THR A 36 -7.879 12.593 14.110 1.00 42.44 H new ATOM 0 HB THR A 36 -6.582 13.549 16.689 1.00 2.11 H new ATOM 0 HG1 THR A 36 -5.149 14.709 15.242 1.00 31.53 H new ATOM 0 HG21 THR A 36 -4.576 12.447 15.770 1.00 41.21 H new ATOM 0 HG22 THR A 36 -5.921 11.300 15.974 1.00 41.21 H new ATOM 0 HG23 THR A 36 -5.519 11.920 14.355 1.00 41.21 H new ATOM 499 N VAL A 37 -9.059 10.831 15.412 1.00 64.22 N ATOM 500 CA VAL A 37 -9.641 9.721 16.156 1.00 34.22 C ATOM 501 C VAL A 37 -8.686 8.532 16.204 1.00 24.34 C ATOM 502 O VAL A 37 -8.508 7.826 15.211 1.00 41.15 O ATOM 503 CB VAL A 37 -10.975 9.268 15.536 1.00 65.40 C ATOM 504 CG1 VAL A 37 -11.651 8.231 16.420 1.00 75.10 C ATOM 505 CG2 VAL A 37 -11.890 10.463 15.309 1.00 31.43 C ATOM 0 H VAL A 37 -9.108 10.731 14.398 1.00 64.22 H new ATOM 0 HA VAL A 37 -9.823 10.079 17.169 1.00 34.22 H new ATOM 0 HB VAL A 37 -10.768 8.808 14.570 1.00 65.40 H new ATOM 0 HG11 VAL A 37 -12.592 7.923 15.965 1.00 75.10 H new ATOM 0 HG12 VAL A 37 -10.999 7.364 16.527 1.00 75.10 H new ATOM 0 HG13 VAL A 37 -11.846 8.662 17.402 1.00 75.10 H new ATOM 0 HG21 VAL A 37 -12.829 10.124 14.870 1.00 31.43 H new ATOM 0 HG22 VAL A 37 -12.091 10.954 16.261 1.00 31.43 H new ATOM 0 HG23 VAL A 37 -11.407 11.168 14.633 1.00 31.43 H new ATOM 515 N GLU A 38 -8.076 8.317 17.365 1.00 63.43 N ATOM 516 CA GLU A 38 -7.139 7.213 17.542 1.00 45.01 C ATOM 517 C GLU A 38 -7.543 6.342 18.728 1.00 73.52 C ATOM 518 O GLU A 38 -8.179 6.814 19.670 1.00 61.21 O ATOM 519 CB GLU A 38 -5.720 7.747 17.746 1.00 50.14 C ATOM 520 CG GLU A 38 -5.668 9.233 18.058 1.00 61.14 C ATOM 521 CD GLU A 38 -6.297 9.571 19.396 1.00 31.50 C ATOM 522 OE1 GLU A 38 -6.434 8.655 20.235 1.00 12.12 O ATOM 523 OE2 GLU A 38 -6.652 10.749 19.605 1.00 64.21 O ATOM 0 H GLU A 38 -8.213 8.892 18.196 1.00 63.43 H new ATOM 0 HA GLU A 38 -7.162 6.602 16.640 1.00 45.01 H new ATOM 0 HB2 GLU A 38 -5.247 7.197 18.560 1.00 50.14 H new ATOM 0 HB3 GLU A 38 -5.135 7.552 16.847 1.00 50.14 H new ATOM 0 HG2 GLU A 38 -4.630 9.565 18.055 1.00 61.14 H new ATOM 0 HG3 GLU A 38 -6.181 9.784 17.270 1.00 61.14 H new ATOM 530 N TRP A 39 -7.168 5.069 18.674 1.00 62.24 N ATOM 531 CA TRP A 39 -7.490 4.131 19.744 1.00 4.21 C ATOM 532 C TRP A 39 -6.461 3.009 19.812 1.00 41.23 C ATOM 533 O TRP A 39 -5.613 2.878 18.930 1.00 21.53 O ATOM 534 CB TRP A 39 -8.888 3.547 19.532 1.00 23.10 C ATOM 535 CG TRP A 39 -9.554 4.035 18.282 1.00 15.53 C ATOM 536 CD1 TRP A 39 -10.602 4.905 18.197 1.00 0.43 C ATOM 537 CD2 TRP A 39 -9.216 3.678 16.936 1.00 65.11 C ATOM 538 NE1 TRP A 39 -10.937 5.112 16.880 1.00 33.34 N ATOM 539 CE2 TRP A 39 -10.101 4.371 16.087 1.00 21.23 C ATOM 540 CE3 TRP A 39 -8.251 2.842 16.367 1.00 44.42 C ATOM 541 CZ2 TRP A 39 -10.049 4.252 14.701 1.00 34.33 C ATOM 542 CZ3 TRP A 39 -8.201 2.725 14.991 1.00 23.23 C ATOM 543 CH2 TRP A 39 -9.094 3.426 14.170 1.00 63.55 C ATOM 0 H TRP A 39 -6.641 4.662 17.901 1.00 62.24 H new ATOM 0 HA TRP A 39 -7.470 4.674 20.689 1.00 4.21 H new ATOM 0 HB2 TRP A 39 -8.818 2.460 19.497 1.00 23.10 H new ATOM 0 HB3 TRP A 39 -9.512 3.798 20.389 1.00 23.10 H new ATOM 0 HD1 TRP A 39 -11.096 5.364 19.041 1.00 0.43 H new ATOM 0 HE1 TRP A 39 -11.686 5.719 16.547 1.00 33.34 H new ATOM 0 HE3 TRP A 39 -7.558 2.298 16.991 1.00 44.42 H new ATOM 0 HZ2 TRP A 39 -10.737 4.792 14.067 1.00 34.33 H new ATOM 0 HZ3 TRP A 39 -7.460 2.081 14.540 1.00 23.23 H new ATOM 0 HH2 TRP A 39 -9.028 3.313 13.098 1.00 63.55 H new ATOM 554 N ASP A 40 -6.541 2.202 20.864 1.00 62.43 N ATOM 555 CA ASP A 40 -5.617 1.089 21.048 1.00 12.30 C ATOM 556 C ASP A 40 -6.240 -0.219 20.570 1.00 52.44 C ATOM 557 O ASP A 40 -7.375 -0.542 20.919 1.00 63.31 O ATOM 558 CB ASP A 40 -5.214 0.970 22.517 1.00 74.14 C ATOM 559 CG ASP A 40 -3.709 0.967 22.707 1.00 15.34 C ATOM 560 OD1 ASP A 40 -3.028 1.781 22.050 1.00 54.40 O ATOM 561 OD2 ASP A 40 -3.213 0.151 23.512 1.00 20.55 O ATOM 0 H ASP A 40 -7.237 2.298 21.603 1.00 62.43 H new ATOM 0 HA ASP A 40 -4.727 1.286 20.451 1.00 12.30 H new ATOM 0 HB2 ASP A 40 -5.646 1.799 23.077 1.00 74.14 H new ATOM 0 HB3 ASP A 40 -5.631 0.053 22.932 1.00 74.14 H new ATOM 566 N PHE A 41 -5.489 -0.967 19.768 1.00 32.20 N ATOM 567 CA PHE A 41 -5.969 -2.240 19.241 1.00 41.43 C ATOM 568 C PHE A 41 -5.189 -3.406 19.841 1.00 50.45 C ATOM 569 O PHE A 41 -4.286 -3.967 19.220 1.00 24.10 O ATOM 570 CB PHE A 41 -5.846 -2.261 17.715 1.00 25.32 C ATOM 571 CG PHE A 41 -7.131 -1.937 17.007 1.00 10.21 C ATOM 572 CD1 PHE A 41 -8.288 -2.648 17.281 1.00 22.21 C ATOM 573 CD2 PHE A 41 -7.181 -0.920 16.066 1.00 34.21 C ATOM 574 CE1 PHE A 41 -9.471 -2.352 16.631 1.00 44.25 C ATOM 575 CE2 PHE A 41 -8.361 -0.619 15.414 1.00 3.02 C ATOM 576 CZ PHE A 41 -9.507 -1.336 15.696 1.00 3.42 C ATOM 0 H PHE A 41 -4.547 -0.714 19.469 1.00 32.20 H new ATOM 0 HA PHE A 41 -7.018 -2.348 19.517 1.00 41.43 H new ATOM 0 HB2 PHE A 41 -5.082 -1.546 17.410 1.00 25.32 H new ATOM 0 HB3 PHE A 41 -5.505 -3.247 17.399 1.00 25.32 H new ATOM 0 HD1 PHE A 41 -8.265 -3.443 18.011 1.00 22.21 H new ATOM 0 HD2 PHE A 41 -6.287 -0.357 15.840 1.00 34.21 H new ATOM 0 HE1 PHE A 41 -10.366 -2.914 16.854 1.00 44.25 H new ATOM 0 HE2 PHE A 41 -8.387 0.177 14.684 1.00 3.02 H new ATOM 0 HZ PHE A 41 -10.430 -1.103 15.186 1.00 3.42 H new ATOM 586 N PRO A 42 -5.544 -3.780 21.079 1.00 44.42 N ATOM 587 CA PRO A 42 -4.892 -4.881 21.791 1.00 74.23 C ATOM 588 C PRO A 42 -5.218 -6.241 21.182 1.00 43.24 C ATOM 589 O PRO A 42 -4.326 -7.049 20.928 1.00 13.25 O ATOM 590 CB PRO A 42 -5.465 -4.778 23.207 1.00 42.41 C ATOM 591 CG PRO A 42 -6.781 -4.103 23.034 1.00 44.13 C ATOM 592 CD PRO A 42 -6.612 -3.155 21.879 1.00 42.41 C ATOM 0 HA PRO A 42 -3.805 -4.805 21.750 1.00 74.23 H new ATOM 0 HB2 PRO A 42 -5.581 -5.763 23.660 1.00 42.41 H new ATOM 0 HB3 PRO A 42 -4.808 -4.203 23.859 1.00 42.41 H new ATOM 0 HG2 PRO A 42 -7.568 -4.829 22.831 1.00 44.13 H new ATOM 0 HG3 PRO A 42 -7.067 -3.568 23.939 1.00 44.13 H new ATOM 0 HD2 PRO A 42 -7.534 -3.050 21.307 1.00 42.41 H new ATOM 0 HD3 PRO A 42 -6.331 -2.157 22.216 1.00 42.41 H new ATOM 600 N THR A 43 -6.504 -6.486 20.950 1.00 42.12 N ATOM 601 CA THR A 43 -6.949 -7.746 20.371 1.00 14.34 C ATOM 602 C THR A 43 -6.593 -7.828 18.890 1.00 61.44 C ATOM 603 O THR A 43 -6.626 -6.825 18.178 1.00 20.44 O ATOM 604 CB THR A 43 -8.469 -7.934 20.533 1.00 1.51 C ATOM 605 OG1 THR A 43 -9.166 -6.857 19.897 1.00 51.52 O ATOM 606 CG2 THR A 43 -8.853 -7.995 22.004 1.00 5.41 C ATOM 0 H THR A 43 -7.255 -5.827 21.155 1.00 42.12 H new ATOM 0 HA THR A 43 -6.433 -8.540 20.910 1.00 14.34 H new ATOM 0 HB THR A 43 -8.749 -8.876 20.062 1.00 1.51 H new ATOM 0 HG1 THR A 43 -10.132 -6.985 20.003 1.00 51.52 H new ATOM 0 HG21 THR A 43 -9.931 -8.128 22.093 1.00 5.41 H new ATOM 0 HG22 THR A 43 -8.343 -8.833 22.479 1.00 5.41 H new ATOM 0 HG23 THR A 43 -8.560 -7.067 22.495 1.00 5.41 H new ATOM 614 N GLY A 44 -6.253 -9.030 18.433 1.00 64.22 N ATOM 615 CA GLY A 44 -5.898 -9.219 17.039 1.00 0.50 C ATOM 616 C GLY A 44 -6.819 -8.469 16.098 1.00 32.42 C ATOM 617 O GLY A 44 -7.902 -8.950 15.761 1.00 33.15 O ATOM 0 H GLY A 44 -6.217 -9.875 19.003 1.00 64.22 H new ATOM 0 HA2 GLY A 44 -4.872 -8.886 16.880 1.00 0.50 H new ATOM 0 HA3 GLY A 44 -5.928 -10.282 16.801 1.00 0.50 H new ATOM 621 N THR A 45 -6.392 -7.284 15.672 1.00 73.34 N ATOM 622 CA THR A 45 -7.188 -6.466 14.767 1.00 44.35 C ATOM 623 C THR A 45 -6.309 -5.493 13.989 1.00 12.32 C ATOM 624 O THR A 45 -5.340 -4.951 14.523 1.00 21.01 O ATOM 625 CB THR A 45 -8.265 -5.670 15.528 1.00 50.14 C ATOM 626 OG1 THR A 45 -9.165 -6.568 16.186 1.00 41.51 O ATOM 627 CG2 THR A 45 -9.042 -4.767 14.582 1.00 12.20 C ATOM 0 H THR A 45 -5.499 -6.870 15.940 1.00 73.34 H new ATOM 0 HA THR A 45 -7.676 -7.149 14.071 1.00 44.35 H new ATOM 0 HB THR A 45 -7.767 -5.047 16.271 1.00 50.14 H new ATOM 0 HG1 THR A 45 -9.845 -6.054 16.669 1.00 41.51 H new ATOM 0 HG21 THR A 45 -9.796 -4.216 15.143 1.00 12.20 H new ATOM 0 HG22 THR A 45 -8.358 -4.064 14.106 1.00 12.20 H new ATOM 0 HG23 THR A 45 -9.529 -5.373 13.818 1.00 12.20 H new ATOM 635 N LYS A 46 -6.651 -5.274 12.724 1.00 45.10 N ATOM 636 CA LYS A 46 -5.895 -4.365 11.871 1.00 41.15 C ATOM 637 C LYS A 46 -6.770 -3.815 10.751 1.00 2.44 C ATOM 638 O LYS A 46 -7.454 -4.569 10.057 1.00 43.14 O ATOM 639 CB LYS A 46 -4.679 -5.081 11.279 1.00 34.11 C ATOM 640 CG LYS A 46 -3.566 -5.323 12.285 1.00 23.25 C ATOM 641 CD LYS A 46 -2.200 -5.314 11.619 1.00 4.12 C ATOM 642 CE LYS A 46 -1.912 -6.634 10.921 1.00 21.33 C ATOM 643 NZ LYS A 46 -0.599 -6.615 10.220 1.00 54.51 N ATOM 0 H LYS A 46 -7.449 -5.715 12.266 1.00 45.10 H new ATOM 0 HA LYS A 46 -5.554 -3.531 12.484 1.00 41.15 H new ATOM 0 HB2 LYS A 46 -4.997 -6.038 10.865 1.00 34.11 H new ATOM 0 HB3 LYS A 46 -4.287 -4.490 10.451 1.00 34.11 H new ATOM 0 HG2 LYS A 46 -3.600 -4.555 13.058 1.00 23.25 H new ATOM 0 HG3 LYS A 46 -3.724 -6.281 12.780 1.00 23.25 H new ATOM 0 HD2 LYS A 46 -2.152 -4.500 10.895 1.00 4.12 H new ATOM 0 HD3 LYS A 46 -1.431 -5.121 12.367 1.00 4.12 H new ATOM 0 HE2 LYS A 46 -1.921 -7.442 11.653 1.00 21.33 H new ATOM 0 HE3 LYS A 46 -2.704 -6.846 10.203 1.00 21.33 H new ATOM 0 HZ1 LYS A 46 -0.439 -7.532 9.757 1.00 54.51 H new ATOM 0 HZ2 LYS A 46 -0.599 -5.861 9.504 1.00 54.51 H new ATOM 0 HZ3 LYS A 46 0.160 -6.438 10.909 1.00 54.51 H new ATOM 657 N VAL A 47 -6.743 -2.498 10.575 1.00 54.13 N ATOM 658 CA VAL A 47 -7.531 -1.847 9.536 1.00 22.44 C ATOM 659 C VAL A 47 -6.901 -2.046 8.163 1.00 2.51 C ATOM 660 O VAL A 47 -5.982 -1.323 7.778 1.00 40.32 O ATOM 661 CB VAL A 47 -7.682 -0.338 9.807 1.00 14.24 C ATOM 662 CG1 VAL A 47 -8.455 0.331 8.681 1.00 44.01 C ATOM 663 CG2 VAL A 47 -8.362 -0.103 11.146 1.00 72.31 C ATOM 0 H VAL A 47 -6.183 -1.860 11.140 1.00 54.13 H new ATOM 0 HA VAL A 47 -8.517 -2.310 9.550 1.00 22.44 H new ATOM 0 HB VAL A 47 -6.688 0.108 9.848 1.00 14.24 H new ATOM 0 HG11 VAL A 47 -8.552 1.397 8.889 1.00 44.01 H new ATOM 0 HG12 VAL A 47 -7.921 0.192 7.741 1.00 44.01 H new ATOM 0 HG13 VAL A 47 -9.446 -0.116 8.605 1.00 44.01 H new ATOM 0 HG21 VAL A 47 -8.460 0.968 11.321 1.00 72.31 H new ATOM 0 HG22 VAL A 47 -9.351 -0.562 11.137 1.00 72.31 H new ATOM 0 HG23 VAL A 47 -7.763 -0.547 11.941 1.00 72.31 H new ATOM 673 N THR A 48 -7.401 -3.033 7.425 1.00 4.53 N ATOM 674 CA THR A 48 -6.887 -3.327 6.093 1.00 22.25 C ATOM 675 C THR A 48 -7.102 -2.151 5.148 1.00 34.03 C ATOM 676 O THR A 48 -6.206 -1.784 4.386 1.00 62.44 O ATOM 677 CB THR A 48 -7.558 -4.580 5.497 1.00 44.21 C ATOM 678 OG1 THR A 48 -7.250 -5.728 6.295 1.00 44.43 O ATOM 679 CG2 THR A 48 -7.096 -4.811 4.066 1.00 42.40 C ATOM 0 H THR A 48 -8.161 -3.642 7.728 1.00 4.53 H new ATOM 0 HA THR A 48 -5.818 -3.512 6.200 1.00 22.25 H new ATOM 0 HB THR A 48 -8.636 -4.421 5.493 1.00 44.21 H new ATOM 0 HG1 THR A 48 -7.600 -6.533 5.859 1.00 44.43 H new ATOM 0 HG21 THR A 48 -7.582 -5.701 3.666 1.00 42.40 H new ATOM 0 HG22 THR A 48 -7.359 -3.948 3.455 1.00 42.40 H new ATOM 0 HG23 THR A 48 -6.015 -4.951 4.051 1.00 42.40 H new ATOM 687 N SER A 49 -8.293 -1.564 5.202 1.00 11.25 N ATOM 688 CA SER A 49 -8.625 -0.430 4.347 1.00 53.32 C ATOM 689 C SER A 49 -9.527 0.557 5.081 1.00 53.04 C ATOM 690 O SER A 49 -10.388 0.163 5.866 1.00 31.51 O ATOM 691 CB SER A 49 -9.313 -0.912 3.068 1.00 14.12 C ATOM 692 OG SER A 49 -8.485 -0.709 1.936 1.00 12.21 O ATOM 0 H SER A 49 -9.044 -1.854 5.828 1.00 11.25 H new ATOM 0 HA SER A 49 -7.697 0.078 4.083 1.00 53.32 H new ATOM 0 HB2 SER A 49 -9.557 -1.971 3.159 1.00 14.12 H new ATOM 0 HB3 SER A 49 -10.254 -0.379 2.934 1.00 14.12 H new ATOM 0 HG SER A 49 -8.947 -1.027 1.132 1.00 12.21 H new ATOM 698 N ALA A 50 -9.322 1.844 4.819 1.00 43.30 N ATOM 699 CA ALA A 50 -10.117 2.889 5.453 1.00 4.41 C ATOM 700 C ALA A 50 -10.590 3.916 4.428 1.00 34.33 C ATOM 701 O ALA A 50 -9.845 4.294 3.525 1.00 70.02 O ATOM 702 CB ALA A 50 -9.315 3.569 6.552 1.00 34.13 C ATOM 0 H ALA A 50 -8.612 2.188 4.172 1.00 43.30 H new ATOM 0 HA ALA A 50 -10.997 2.423 5.896 1.00 4.41 H new ATOM 0 HB1 ALA A 50 -9.921 4.347 7.016 1.00 34.13 H new ATOM 0 HB2 ALA A 50 -9.031 2.833 7.304 1.00 34.13 H new ATOM 0 HB3 ALA A 50 -8.417 4.015 6.124 1.00 34.13 H new ATOM 708 N TRP A 51 -11.832 4.361 4.576 1.00 24.11 N ATOM 709 CA TRP A 51 -12.405 5.344 3.662 1.00 24.42 C ATOM 710 C TRP A 51 -12.898 6.570 4.422 1.00 65.11 C ATOM 711 O TRP A 51 -13.414 6.457 5.534 1.00 44.02 O ATOM 712 CB TRP A 51 -13.556 4.723 2.870 1.00 1.43 C ATOM 713 CG TRP A 51 -14.541 3.989 3.728 1.00 1.23 C ATOM 714 CD1 TRP A 51 -15.539 4.537 4.483 1.00 53.04 C ATOM 715 CD2 TRP A 51 -14.622 2.572 3.920 1.00 43.34 C ATOM 716 NE1 TRP A 51 -16.234 3.547 5.133 1.00 73.31 N ATOM 717 CE2 TRP A 51 -15.693 2.332 4.804 1.00 51.51 C ATOM 718 CE3 TRP A 51 -13.896 1.484 3.430 1.00 21.54 C ATOM 719 CZ2 TRP A 51 -16.050 1.048 5.207 1.00 44.32 C ATOM 720 CZ3 TRP A 51 -14.253 0.211 3.831 1.00 21.23 C ATOM 721 CH2 TRP A 51 -15.323 0.001 4.712 1.00 53.51 C ATOM 0 H TRP A 51 -12.462 4.058 5.319 1.00 24.11 H new ATOM 0 HA TRP A 51 -11.625 5.658 2.969 1.00 24.42 H new ATOM 0 HB2 TRP A 51 -14.077 5.509 2.323 1.00 1.43 H new ATOM 0 HB3 TRP A 51 -13.148 4.036 2.129 1.00 1.43 H new ATOM 0 HD1 TRP A 51 -15.750 5.593 4.558 1.00 53.04 H new ATOM 0 HE1 TRP A 51 -17.025 3.693 5.760 1.00 73.31 H new ATOM 0 HE3 TRP A 51 -13.071 1.635 2.750 1.00 21.54 H new ATOM 0 HZ2 TRP A 51 -16.873 0.885 5.887 1.00 44.32 H new ATOM 0 HZ3 TRP A 51 -13.698 -0.637 3.459 1.00 21.23 H new ATOM 0 HH2 TRP A 51 -15.578 -1.007 5.005 1.00 53.51 H new ATOM 732 N ASP A 52 -12.736 7.740 3.815 1.00 42.33 N ATOM 733 CA ASP A 52 -13.167 8.989 4.435 1.00 52.51 C ATOM 734 C ASP A 52 -12.355 9.279 5.693 1.00 64.12 C ATOM 735 O ASP A 52 -12.714 10.147 6.489 1.00 54.12 O ATOM 736 CB ASP A 52 -14.656 8.927 4.776 1.00 44.51 C ATOM 737 CG ASP A 52 -15.368 10.238 4.503 1.00 54.32 C ATOM 738 OD1 ASP A 52 -15.370 11.110 5.399 1.00 14.14 O ATOM 739 OD2 ASP A 52 -15.921 10.392 3.395 1.00 44.35 O ATOM 0 H ASP A 52 -12.310 7.851 2.895 1.00 42.33 H new ATOM 0 HA ASP A 52 -13.000 9.797 3.722 1.00 52.51 H new ATOM 0 HB2 ASP A 52 -15.126 8.134 4.195 1.00 44.51 H new ATOM 0 HB3 ASP A 52 -14.774 8.665 5.827 1.00 44.51 H new ATOM 744 N ALA A 53 -11.260 8.545 5.868 1.00 2.53 N ATOM 745 CA ALA A 53 -10.397 8.725 7.029 1.00 24.45 C ATOM 746 C ALA A 53 -9.130 7.888 6.905 1.00 14.42 C ATOM 747 O ALA A 53 -9.156 6.669 7.083 1.00 64.34 O ATOM 748 CB ALA A 53 -11.148 8.364 8.304 1.00 51.31 C ATOM 0 H ALA A 53 -10.950 7.820 5.220 1.00 2.53 H new ATOM 0 HA ALA A 53 -10.105 9.774 7.076 1.00 24.45 H new ATOM 0 HB1 ALA A 53 -10.493 8.503 9.164 1.00 51.31 H new ATOM 0 HB2 ALA A 53 -12.022 9.008 8.406 1.00 51.31 H new ATOM 0 HB3 ALA A 53 -11.468 7.323 8.256 1.00 51.31 H new ATOM 754 N THR A 54 -8.018 8.549 6.597 1.00 13.14 N ATOM 755 CA THR A 54 -6.739 7.865 6.447 1.00 13.11 C ATOM 756 C THR A 54 -6.300 7.225 7.758 1.00 63.21 C ATOM 757 O THR A 54 -5.731 7.889 8.625 1.00 14.42 O ATOM 758 CB THR A 54 -5.639 8.831 5.967 1.00 1.50 C ATOM 759 OG1 THR A 54 -6.000 9.396 4.702 1.00 25.53 O ATOM 760 CG2 THR A 54 -4.304 8.113 5.844 1.00 14.14 C ATOM 0 H THR A 54 -7.977 9.557 6.447 1.00 13.14 H new ATOM 0 HA THR A 54 -6.883 7.087 5.697 1.00 13.11 H new ATOM 0 HB THR A 54 -5.539 9.627 6.705 1.00 1.50 H new ATOM 0 HG1 THR A 54 -5.296 10.010 4.405 1.00 25.53 H new ATOM 0 HG21 THR A 54 -3.543 8.815 5.504 1.00 14.14 H new ATOM 0 HG22 THR A 54 -4.017 7.710 6.815 1.00 14.14 H new ATOM 0 HG23 THR A 54 -4.394 7.299 5.125 1.00 14.14 H new ATOM 768 N VAL A 55 -6.569 5.930 7.899 1.00 64.12 N ATOM 769 CA VAL A 55 -6.200 5.200 9.106 1.00 0.52 C ATOM 770 C VAL A 55 -4.779 4.656 9.006 1.00 40.54 C ATOM 771 O VAL A 55 -4.390 4.086 7.986 1.00 53.31 O ATOM 772 CB VAL A 55 -7.167 4.031 9.371 1.00 12.10 C ATOM 773 CG1 VAL A 55 -6.732 3.246 10.599 1.00 54.32 C ATOM 774 CG2 VAL A 55 -8.590 4.543 9.532 1.00 62.14 C ATOM 0 H VAL A 55 -7.041 5.366 7.192 1.00 64.12 H new ATOM 0 HA VAL A 55 -6.258 5.906 9.934 1.00 0.52 H new ATOM 0 HB VAL A 55 -7.142 3.360 8.513 1.00 12.10 H new ATOM 0 HG11 VAL A 55 -7.427 2.424 10.771 1.00 54.32 H new ATOM 0 HG12 VAL A 55 -5.730 2.847 10.440 1.00 54.32 H new ATOM 0 HG13 VAL A 55 -6.726 3.904 11.468 1.00 54.32 H new ATOM 0 HG21 VAL A 55 -9.260 3.704 9.719 1.00 62.14 H new ATOM 0 HG22 VAL A 55 -8.634 5.236 10.372 1.00 62.14 H new ATOM 0 HG23 VAL A 55 -8.897 5.057 8.621 1.00 62.14 H new ATOM 784 N THR A 56 -4.006 4.838 10.072 1.00 30.23 N ATOM 785 CA THR A 56 -2.627 4.366 10.106 1.00 51.51 C ATOM 786 C THR A 56 -2.397 3.422 11.280 1.00 71.20 C ATOM 787 O THR A 56 -3.258 3.272 12.146 1.00 10.43 O ATOM 788 CB THR A 56 -1.635 5.540 10.203 1.00 71.23 C ATOM 789 OG1 THR A 56 -0.294 5.062 10.052 1.00 34.10 O ATOM 790 CG2 THR A 56 -1.775 6.258 11.537 1.00 25.41 C ATOM 0 H THR A 56 -4.312 5.309 10.924 1.00 30.23 H new ATOM 0 HA THR A 56 -2.453 3.829 9.174 1.00 51.51 H new ATOM 0 HB THR A 56 -1.861 6.245 9.403 1.00 71.23 H new ATOM 0 HG1 THR A 56 0.330 5.815 10.113 1.00 34.10 H new ATOM 0 HG21 THR A 56 -1.064 7.083 11.582 1.00 25.41 H new ATOM 0 HG22 THR A 56 -2.789 6.646 11.637 1.00 25.41 H new ATOM 0 HG23 THR A 56 -1.572 5.560 12.349 1.00 25.41 H new ATOM 798 N ASN A 57 -1.229 2.789 11.305 1.00 14.52 N ATOM 799 CA ASN A 57 -0.885 1.859 12.374 1.00 14.23 C ATOM 800 C ASN A 57 0.507 2.153 12.924 1.00 41.04 C ATOM 801 O ASN A 57 1.361 2.697 12.223 1.00 63.10 O ATOM 802 CB ASN A 57 -0.951 0.418 11.864 1.00 74.44 C ATOM 803 CG ASN A 57 0.330 -0.011 11.176 1.00 52.02 C ATOM 804 OD1 ASN A 57 1.313 -0.361 11.829 1.00 61.33 O ATOM 805 ND2 ASN A 57 0.325 0.014 9.848 1.00 40.25 N ATOM 0 H ASN A 57 -0.504 2.903 10.597 1.00 14.52 H new ATOM 0 HA ASN A 57 -1.608 1.986 13.180 1.00 14.23 H new ATOM 0 HB2 ASN A 57 -1.153 -0.252 12.700 1.00 74.44 H new ATOM 0 HB3 ASN A 57 -1.784 0.320 11.168 1.00 74.44 H new ATOM 0 HD21 ASN A 57 1.158 -0.264 9.330 1.00 40.25 H new ATOM 0 HD22 ASN A 57 -0.512 0.311 9.347 1.00 40.25 H new ATOM 812 N SER A 58 0.729 1.788 14.183 1.00 5.11 N ATOM 813 CA SER A 58 2.016 2.016 14.829 1.00 54.20 C ATOM 814 C SER A 58 2.199 1.080 16.020 1.00 41.12 C ATOM 815 O SER A 58 1.902 1.441 17.159 1.00 2.54 O ATOM 816 CB SER A 58 2.131 3.471 15.286 1.00 51.11 C ATOM 817 OG SER A 58 3.356 3.699 15.961 1.00 14.34 O ATOM 0 H SER A 58 0.034 1.333 14.775 1.00 5.11 H new ATOM 0 HA SER A 58 2.801 1.809 14.102 1.00 54.20 H new ATOM 0 HB2 SER A 58 2.059 4.133 14.423 1.00 51.11 H new ATOM 0 HB3 SER A 58 1.298 3.715 15.945 1.00 51.11 H new ATOM 0 HG SER A 58 3.405 4.637 16.241 1.00 14.34 H new ATOM 823 N GLY A 59 2.691 -0.125 15.748 1.00 60.42 N ATOM 824 CA GLY A 59 2.905 -1.094 16.807 1.00 31.54 C ATOM 825 C GLY A 59 1.612 -1.719 17.291 1.00 34.44 C ATOM 826 O GLY A 59 1.137 -2.701 16.720 1.00 35.24 O ATOM 0 H GLY A 59 2.945 -0.447 14.814 1.00 60.42 H new ATOM 0 HA2 GLY A 59 3.572 -1.878 16.448 1.00 31.54 H new ATOM 0 HA3 GLY A 59 3.406 -0.608 17.644 1.00 31.54 H new ATOM 830 N ASP A 60 1.041 -1.151 18.347 1.00 61.10 N ATOM 831 CA ASP A 60 -0.205 -1.659 18.909 1.00 1.35 C ATOM 832 C ASP A 60 -1.248 -0.550 19.010 1.00 62.21 C ATOM 833 O ASP A 60 -2.271 -0.705 19.677 1.00 72.50 O ATOM 834 CB ASP A 60 0.044 -2.271 20.288 1.00 10.31 C ATOM 835 CG ASP A 60 1.274 -3.156 20.315 1.00 75.23 C ATOM 836 OD1 ASP A 60 2.374 -2.633 20.588 1.00 55.03 O ATOM 837 OD2 ASP A 60 1.137 -4.372 20.064 1.00 2.12 O ATOM 0 H ASP A 60 1.421 -0.338 18.832 1.00 61.10 H new ATOM 0 HA ASP A 60 -0.587 -2.432 18.242 1.00 1.35 H new ATOM 0 HB2 ASP A 60 0.158 -1.473 21.021 1.00 10.31 H new ATOM 0 HB3 ASP A 60 -0.827 -2.855 20.586 1.00 10.31 H new ATOM 842 N HIS A 61 -0.980 0.569 18.345 1.00 41.32 N ATOM 843 CA HIS A 61 -1.895 1.705 18.361 1.00 31.32 C ATOM 844 C HIS A 61 -2.215 2.165 16.943 1.00 3.52 C ATOM 845 O HIS A 61 -1.373 2.081 16.048 1.00 22.11 O ATOM 846 CB HIS A 61 -1.293 2.861 19.161 1.00 21.11 C ATOM 847 CG HIS A 61 -2.083 4.130 19.069 1.00 10.44 C ATOM 848 ND1 HIS A 61 -2.924 4.568 20.069 1.00 43.20 N ATOM 849 CD2 HIS A 61 -2.155 5.057 18.085 1.00 44.22 C ATOM 850 CE1 HIS A 61 -3.481 5.709 19.706 1.00 13.20 C ATOM 851 NE2 HIS A 61 -3.030 6.028 18.506 1.00 5.22 N ATOM 0 H HIS A 61 -0.137 0.714 17.789 1.00 41.32 H new ATOM 0 HA HIS A 61 -2.822 1.386 18.838 1.00 31.32 H new ATOM 0 HB2 HIS A 61 -1.216 2.566 20.208 1.00 21.11 H new ATOM 0 HB3 HIS A 61 -0.279 3.048 18.807 1.00 21.11 H new ATOM 0 HD1 HIS A 61 -3.090 4.086 20.952 1.00 43.20 H new ATOM 0 HD2 HIS A 61 -1.624 5.037 17.145 1.00 44.22 H new ATOM 0 HE1 HIS A 61 -4.185 6.283 20.290 1.00 13.20 H new ATOM 859 N TRP A 62 -3.435 2.651 16.744 1.00 1.51 N ATOM 860 CA TRP A 62 -3.866 3.123 15.432 1.00 61.55 C ATOM 861 C TRP A 62 -4.456 4.526 15.527 1.00 53.22 C ATOM 862 O TRP A 62 -4.873 4.965 16.599 1.00 23.04 O ATOM 863 CB TRP A 62 -4.895 2.163 14.835 1.00 11.40 C ATOM 864 CG TRP A 62 -4.323 0.824 14.480 1.00 73.31 C ATOM 865 CD1 TRP A 62 -3.803 -0.099 15.342 1.00 31.21 C ATOM 866 CD2 TRP A 62 -4.211 0.260 13.170 1.00 13.53 C ATOM 867 NE1 TRP A 62 -3.375 -1.203 14.646 1.00 11.40 N ATOM 868 CE2 TRP A 62 -3.614 -1.008 13.311 1.00 35.11 C ATOM 869 CE3 TRP A 62 -4.557 0.702 11.890 1.00 2.24 C ATOM 870 CZ2 TRP A 62 -3.358 -1.836 12.221 1.00 73.14 C ATOM 871 CZ3 TRP A 62 -4.301 -0.121 10.809 1.00 23.33 C ATOM 872 CH2 TRP A 62 -3.707 -1.378 10.980 1.00 42.22 C ATOM 0 H TRP A 62 -4.143 2.729 17.474 1.00 1.51 H new ATOM 0 HA TRP A 62 -2.993 3.159 14.780 1.00 61.55 H new ATOM 0 HB2 TRP A 62 -5.709 2.025 15.547 1.00 11.40 H new ATOM 0 HB3 TRP A 62 -5.327 2.614 13.941 1.00 11.40 H new ATOM 0 HD1 TRP A 62 -3.738 0.022 16.413 1.00 31.21 H new ATOM 0 HE1 TRP A 62 -2.948 -2.034 15.056 1.00 11.40 H new ATOM 0 HE3 TRP A 62 -5.016 1.669 11.748 1.00 2.24 H new ATOM 0 HZ2 TRP A 62 -2.900 -2.805 12.351 1.00 73.14 H new ATOM 0 HZ3 TRP A 62 -4.564 0.211 9.815 1.00 23.33 H new ATOM 0 HH2 TRP A 62 -3.521 -1.998 10.115 1.00 42.22 H new ATOM 883 N THR A 63 -4.486 5.227 14.397 1.00 64.44 N ATOM 884 CA THR A 63 -5.024 6.582 14.353 1.00 63.42 C ATOM 885 C THR A 63 -5.713 6.856 13.022 1.00 25.22 C ATOM 886 O THR A 63 -5.328 6.309 11.988 1.00 60.44 O ATOM 887 CB THR A 63 -3.920 7.632 14.574 1.00 14.34 C ATOM 888 OG1 THR A 63 -3.142 7.291 15.727 1.00 50.21 O ATOM 889 CG2 THR A 63 -4.519 9.019 14.752 1.00 31.15 C ATOM 0 H THR A 63 -4.144 4.879 13.501 1.00 64.44 H new ATOM 0 HA THR A 63 -5.754 6.659 15.159 1.00 63.42 H new ATOM 0 HB THR A 63 -3.278 7.641 13.693 1.00 14.34 H new ATOM 0 HG1 THR A 63 -2.441 7.963 15.859 1.00 50.21 H new ATOM 0 HG21 THR A 63 -3.719 9.744 14.907 1.00 31.15 H new ATOM 0 HG22 THR A 63 -5.085 9.288 13.860 1.00 31.15 H new ATOM 0 HG23 THR A 63 -5.182 9.021 15.617 1.00 31.15 H new ATOM 897 N ALA A 64 -6.733 7.708 13.053 1.00 12.11 N ATOM 898 CA ALA A 64 -7.474 8.058 11.848 1.00 12.15 C ATOM 899 C ALA A 64 -7.593 9.570 11.695 1.00 64.44 C ATOM 900 O ALA A 64 -7.986 10.269 12.629 1.00 23.00 O ATOM 901 CB ALA A 64 -8.854 7.417 11.871 1.00 74.43 C ATOM 0 H ALA A 64 -7.065 8.169 13.900 1.00 12.11 H new ATOM 0 HA ALA A 64 -6.922 7.675 10.989 1.00 12.15 H new ATOM 0 HB1 ALA A 64 -9.396 7.687 10.965 1.00 74.43 H new ATOM 0 HB2 ALA A 64 -8.751 6.333 11.923 1.00 74.43 H new ATOM 0 HB3 ALA A 64 -9.405 7.771 12.742 1.00 74.43 H new ATOM 907 N LYS A 65 -7.250 10.070 10.513 1.00 64.22 N ATOM 908 CA LYS A 65 -7.319 11.500 10.237 1.00 61.14 C ATOM 909 C LYS A 65 -7.942 11.761 8.870 1.00 61.32 C ATOM 910 O LYS A 65 -7.910 10.904 7.989 1.00 1.14 O ATOM 911 CB LYS A 65 -5.922 12.121 10.299 1.00 34.44 C ATOM 912 CG LYS A 65 -5.023 11.491 11.350 1.00 71.23 C ATOM 913 CD LYS A 65 -4.242 10.317 10.785 1.00 12.52 C ATOM 914 CE LYS A 65 -2.762 10.417 11.125 1.00 62.22 C ATOM 915 NZ LYS A 65 -2.021 11.248 10.137 1.00 44.42 N ATOM 0 H LYS A 65 -6.921 9.505 9.730 1.00 64.22 H new ATOM 0 HA LYS A 65 -7.949 11.961 10.998 1.00 61.14 H new ATOM 0 HB2 LYS A 65 -5.447 12.026 9.322 1.00 34.44 H new ATOM 0 HB3 LYS A 65 -6.016 13.187 10.505 1.00 34.44 H new ATOM 0 HG2 LYS A 65 -4.330 12.240 11.733 1.00 71.23 H new ATOM 0 HG3 LYS A 65 -5.627 11.155 12.193 1.00 71.23 H new ATOM 0 HD2 LYS A 65 -4.645 9.385 11.182 1.00 12.52 H new ATOM 0 HD3 LYS A 65 -4.366 10.283 9.703 1.00 12.52 H new ATOM 0 HE2 LYS A 65 -2.646 10.846 12.120 1.00 62.22 H new ATOM 0 HE3 LYS A 65 -2.328 9.417 11.157 1.00 62.22 H new ATOM 0 HZ1 LYS A 65 -1.017 11.292 10.404 1.00 44.42 H new ATOM 0 HZ2 LYS A 65 -2.110 10.825 9.191 1.00 44.42 H new ATOM 0 HZ3 LYS A 65 -2.418 12.209 10.125 1.00 44.42 H new ATOM 929 N ASN A 66 -8.508 12.952 8.700 1.00 51.14 N ATOM 930 CA ASN A 66 -9.137 13.326 7.439 1.00 24.33 C ATOM 931 C ASN A 66 -8.663 14.702 6.981 1.00 33.22 C ATOM 932 O ASN A 66 -8.216 14.870 5.845 1.00 72.44 O ATOM 933 CB ASN A 66 -10.661 13.322 7.585 1.00 42.52 C ATOM 934 CG ASN A 66 -11.366 13.667 6.287 1.00 31.10 C ATOM 935 OD1 ASN A 66 -11.975 14.730 6.162 1.00 74.02 O ATOM 936 ND2 ASN A 66 -11.288 12.767 5.315 1.00 64.21 N ATOM 0 H ASN A 66 -8.544 13.674 9.420 1.00 51.14 H new ATOM 0 HA ASN A 66 -8.848 12.593 6.686 1.00 24.33 H new ATOM 0 HB2 ASN A 66 -10.988 12.339 7.923 1.00 42.52 H new ATOM 0 HB3 ASN A 66 -10.952 14.037 8.355 1.00 42.52 H new ATOM 0 HD21 ASN A 66 -11.744 12.943 4.420 1.00 64.21 H new ATOM 0 HD22 ASN A 66 -10.772 11.900 5.463 1.00 64.21 H new ATOM 943 N VAL A 67 -8.762 15.683 7.872 1.00 50.11 N ATOM 944 CA VAL A 67 -8.341 17.044 7.560 1.00 51.13 C ATOM 945 C VAL A 67 -6.982 17.354 8.177 1.00 75.10 C ATOM 946 O VAL A 67 -6.749 18.456 8.672 1.00 10.24 O ATOM 947 CB VAL A 67 -9.367 18.078 8.061 1.00 23.31 C ATOM 948 CG1 VAL A 67 -9.489 19.230 7.075 1.00 63.50 C ATOM 949 CG2 VAL A 67 -10.718 17.417 8.292 1.00 45.05 C ATOM 0 H VAL A 67 -9.130 15.561 8.815 1.00 50.11 H new ATOM 0 HA VAL A 67 -8.268 17.111 6.475 1.00 51.13 H new ATOM 0 HB VAL A 67 -9.018 18.481 9.012 1.00 23.31 H new ATOM 0 HG11 VAL A 67 -10.218 19.950 7.446 1.00 63.50 H new ATOM 0 HG12 VAL A 67 -8.521 19.718 6.964 1.00 63.50 H new ATOM 0 HG13 VAL A 67 -9.816 18.848 6.108 1.00 63.50 H new ATOM 0 HG21 VAL A 67 -11.431 18.161 8.646 1.00 45.05 H new ATOM 0 HG22 VAL A 67 -11.077 16.986 7.357 1.00 45.05 H new ATOM 0 HG23 VAL A 67 -10.615 16.630 9.039 1.00 45.05 H new ATOM 959 N GLY A 68 -6.085 16.373 8.143 1.00 0.02 N ATOM 960 CA GLY A 68 -4.759 16.560 8.701 1.00 41.23 C ATOM 961 C GLY A 68 -3.850 17.353 7.783 1.00 74.44 C ATOM 962 O GLY A 68 -2.687 17.594 8.108 1.00 44.32 O ATOM 0 H GLY A 68 -6.254 15.452 7.739 1.00 0.02 H new ATOM 0 HA2 GLY A 68 -4.840 17.074 9.659 1.00 41.23 H new ATOM 0 HA3 GLY A 68 -4.311 15.586 8.899 1.00 41.23 H new ATOM 966 N TRP A 69 -4.379 17.756 6.633 1.00 72.41 N ATOM 967 CA TRP A 69 -3.605 18.524 5.665 1.00 3.32 C ATOM 968 C TRP A 69 -4.173 19.930 5.508 1.00 4.12 C ATOM 969 O TRP A 69 -3.454 20.864 5.154 1.00 73.31 O ATOM 970 CB TRP A 69 -3.593 17.812 4.311 1.00 62.02 C ATOM 971 CG TRP A 69 -4.873 17.095 4.005 1.00 23.30 C ATOM 972 CD1 TRP A 69 -5.170 15.791 4.285 1.00 65.24 C ATOM 973 CD2 TRP A 69 -6.029 17.642 3.360 1.00 14.30 C ATOM 974 NE1 TRP A 69 -6.441 15.495 3.852 1.00 33.11 N ATOM 975 CE2 TRP A 69 -6.988 16.614 3.282 1.00 30.51 C ATOM 976 CE3 TRP A 69 -6.347 18.900 2.842 1.00 1.33 C ATOM 977 CZ2 TRP A 69 -8.242 16.807 2.706 1.00 74.10 C ATOM 978 CZ3 TRP A 69 -7.590 19.090 2.270 1.00 24.04 C ATOM 979 CH2 TRP A 69 -8.526 18.048 2.206 1.00 41.13 C ATOM 0 H TRP A 69 -5.340 17.564 6.349 1.00 72.41 H new ATOM 0 HA TRP A 69 -2.583 18.604 6.035 1.00 3.32 H new ATOM 0 HB2 TRP A 69 -3.398 18.543 3.526 1.00 62.02 H new ATOM 0 HB3 TRP A 69 -2.771 17.097 4.292 1.00 62.02 H new ATOM 0 HD1 TRP A 69 -4.504 15.095 4.774 1.00 65.24 H new ATOM 0 HE1 TRP A 69 -6.902 14.589 3.941 1.00 33.11 H new ATOM 0 HE3 TRP A 69 -5.634 19.710 2.888 1.00 1.33 H new ATOM 0 HZ2 TRP A 69 -8.964 16.005 2.656 1.00 74.10 H new ATOM 0 HZ3 TRP A 69 -7.845 20.058 1.865 1.00 24.04 H new ATOM 0 HH2 TRP A 69 -9.490 18.229 1.753 1.00 41.13 H new ATOM 990 N ASN A 70 -5.468 20.075 5.773 1.00 73.24 N ATOM 991 CA ASN A 70 -6.131 21.368 5.661 1.00 50.21 C ATOM 992 C ASN A 70 -6.449 21.938 7.040 1.00 45.25 C ATOM 993 O ASN A 70 -6.187 23.108 7.316 1.00 4.10 O ATOM 994 CB ASN A 70 -7.418 21.236 4.844 1.00 14.23 C ATOM 995 CG ASN A 70 -7.316 21.916 3.491 1.00 72.41 C ATOM 996 OD1 ASN A 70 -6.220 22.148 2.982 1.00 55.32 O ATOM 997 ND2 ASN A 70 -8.463 22.238 2.904 1.00 55.35 N ATOM 0 H ASN A 70 -6.078 19.312 6.067 1.00 73.24 H new ATOM 0 HA ASN A 70 -5.453 22.052 5.151 1.00 50.21 H new ATOM 0 HB2 ASN A 70 -7.648 20.180 4.701 1.00 14.23 H new ATOM 0 HB3 ASN A 70 -8.247 21.669 5.404 1.00 14.23 H new ATOM 0 HD21 ASN A 70 -8.458 22.697 1.993 1.00 55.35 H new ATOM 0 HD22 ASN A 70 -9.348 22.026 3.364 1.00 55.35 H new ATOM 1004 N GLY A 71 -7.015 21.101 7.905 1.00 51.32 N ATOM 1005 CA GLY A 71 -7.358 21.539 9.245 1.00 43.21 C ATOM 1006 C GLY A 71 -8.183 22.811 9.245 1.00 73.12 C ATOM 1007 O GLY A 71 -7.810 23.802 9.875 1.00 53.04 O ATOM 0 H GLY A 71 -7.242 20.128 7.701 1.00 51.32 H new ATOM 0 HA2 GLY A 71 -7.913 20.749 9.751 1.00 43.21 H new ATOM 0 HA3 GLY A 71 -6.444 21.702 9.816 1.00 43.21 H new ATOM 1011 N THR A 72 -9.307 22.787 8.536 1.00 22.41 N ATOM 1012 CA THR A 72 -10.184 23.948 8.455 1.00 21.23 C ATOM 1013 C THR A 72 -11.649 23.527 8.414 1.00 45.33 C ATOM 1014 O THR A 72 -12.186 23.213 7.350 1.00 41.04 O ATOM 1015 CB THR A 72 -9.872 24.802 7.213 1.00 52.43 C ATOM 1016 OG1 THR A 72 -8.878 24.155 6.410 1.00 72.44 O ATOM 1017 CG2 THR A 72 -9.384 26.186 7.616 1.00 12.10 C ATOM 0 H THR A 72 -9.631 21.976 8.009 1.00 22.41 H new ATOM 0 HA THR A 72 -10.004 24.544 9.350 1.00 21.23 H new ATOM 0 HB THR A 72 -10.790 24.912 6.635 1.00 52.43 H new ATOM 0 HG1 THR A 72 -8.686 24.704 5.621 1.00 72.44 H new ATOM 0 HG21 THR A 72 -9.170 26.771 6.722 1.00 12.10 H new ATOM 0 HG22 THR A 72 -10.155 26.687 8.202 1.00 12.10 H new ATOM 0 HG23 THR A 72 -8.477 26.092 8.214 1.00 12.10 H new ATOM 1025 N LEU A 73 -12.292 23.524 9.576 1.00 0.31 N ATOM 1026 CA LEU A 73 -13.697 23.143 9.672 1.00 61.21 C ATOM 1027 C LEU A 73 -14.462 24.106 10.575 1.00 12.13 C ATOM 1028 O LEU A 73 -13.868 24.822 11.381 1.00 13.34 O ATOM 1029 CB LEU A 73 -13.823 21.715 10.207 1.00 52.33 C ATOM 1030 CG LEU A 73 -15.171 21.031 9.982 1.00 3.13 C ATOM 1031 CD1 LEU A 73 -14.970 19.598 9.515 1.00 13.04 C ATOM 1032 CD2 LEU A 73 -16.008 21.067 11.252 1.00 74.11 C ATOM 0 H LEU A 73 -11.863 23.781 10.465 1.00 0.31 H new ATOM 0 HA LEU A 73 -14.130 23.190 8.673 1.00 61.21 H new ATOM 0 HB2 LEU A 73 -13.047 21.105 9.744 1.00 52.33 H new ATOM 0 HB3 LEU A 73 -13.620 21.730 11.278 1.00 52.33 H new ATOM 0 HG LEU A 73 -15.706 21.575 9.204 1.00 3.13 H new ATOM 0 HD11 LEU A 73 -15.940 19.126 9.360 1.00 13.04 H new ATOM 0 HD12 LEU A 73 -14.411 19.595 8.579 1.00 13.04 H new ATOM 0 HD13 LEU A 73 -14.414 19.044 10.271 1.00 13.04 H new ATOM 0 HD21 LEU A 73 -16.964 20.575 11.072 1.00 74.11 H new ATOM 0 HD22 LEU A 73 -15.478 20.549 12.052 1.00 74.11 H new ATOM 0 HD23 LEU A 73 -16.182 22.103 11.544 1.00 74.11 H new ATOM 1044 N ALA A 74 -15.784 24.117 10.435 1.00 72.32 N ATOM 1045 CA ALA A 74 -16.630 24.988 11.240 1.00 74.31 C ATOM 1046 C ALA A 74 -16.704 24.501 12.684 1.00 12.23 C ATOM 1047 O ALA A 74 -16.388 23.352 12.993 1.00 33.05 O ATOM 1048 CB ALA A 74 -18.025 25.072 10.638 1.00 62.14 C ATOM 0 H ALA A 74 -16.292 23.532 9.771 1.00 72.32 H new ATOM 0 HA ALA A 74 -16.186 25.983 11.242 1.00 74.31 H new ATOM 0 HB1 ALA A 74 -18.646 25.726 11.250 1.00 62.14 H new ATOM 0 HB2 ALA A 74 -17.961 25.474 9.627 1.00 62.14 H new ATOM 0 HB3 ALA A 74 -18.468 24.077 10.606 1.00 62.14 H new ATOM 1054 N PRO A 75 -17.130 25.393 13.590 1.00 40.33 N ATOM 1055 CA PRO A 75 -17.255 25.076 15.016 1.00 43.31 C ATOM 1056 C PRO A 75 -18.393 24.101 15.295 1.00 64.12 C ATOM 1057 O PRO A 75 -18.543 23.612 16.413 1.00 32.44 O ATOM 1058 CB PRO A 75 -17.544 26.436 15.657 1.00 30.43 C ATOM 1059 CG PRO A 75 -18.166 27.242 14.570 1.00 5.41 C ATOM 1060 CD PRO A 75 -17.524 26.780 13.292 1.00 53.32 C ATOM 0 HA PRO A 75 -16.362 24.588 15.406 1.00 43.31 H new ATOM 0 HB2 PRO A 75 -18.215 26.337 16.510 1.00 30.43 H new ATOM 0 HB3 PRO A 75 -16.630 26.903 16.023 1.00 30.43 H new ATOM 0 HG2 PRO A 75 -19.245 27.091 14.541 1.00 5.41 H new ATOM 0 HG3 PRO A 75 -17.997 28.307 14.729 1.00 5.41 H new ATOM 0 HD2 PRO A 75 -18.218 26.829 12.453 1.00 53.32 H new ATOM 0 HD3 PRO A 75 -16.663 27.395 13.030 1.00 53.32 H new ATOM 1068 N GLY A 76 -19.195 23.825 14.271 1.00 14.13 N ATOM 1069 CA GLY A 76 -20.310 22.909 14.427 1.00 71.34 C ATOM 1070 C GLY A 76 -20.527 22.045 13.201 1.00 32.22 C ATOM 1071 O GLY A 76 -20.843 22.550 12.125 1.00 41.13 O ATOM 0 H GLY A 76 -19.092 24.220 13.336 1.00 14.13 H new ATOM 0 HA2 GLY A 76 -20.132 22.269 15.292 1.00 71.34 H new ATOM 0 HA3 GLY A 76 -21.217 23.477 14.632 1.00 71.34 H new ATOM 1075 N ALA A 77 -20.355 20.737 13.364 1.00 10.01 N ATOM 1076 CA ALA A 77 -20.534 19.799 12.261 1.00 51.04 C ATOM 1077 C ALA A 77 -20.320 18.362 12.723 1.00 54.10 C ATOM 1078 O ALA A 77 -19.894 18.119 13.852 1.00 62.35 O ATOM 1079 CB ALA A 77 -19.585 20.138 11.122 1.00 11.23 C ATOM 0 H ALA A 77 -20.092 20.303 14.249 1.00 10.01 H new ATOM 0 HA ALA A 77 -21.560 19.888 11.902 1.00 51.04 H new ATOM 0 HB1 ALA A 77 -19.729 19.430 10.306 1.00 11.23 H new ATOM 0 HB2 ALA A 77 -19.789 21.148 10.767 1.00 11.23 H new ATOM 0 HB3 ALA A 77 -18.556 20.079 11.476 1.00 11.23 H new ATOM 1085 N SER A 78 -20.616 17.413 11.841 1.00 32.31 N ATOM 1086 CA SER A 78 -20.459 15.998 12.160 1.00 41.31 C ATOM 1087 C SER A 78 -20.036 15.207 10.926 1.00 30.20 C ATOM 1088 O SER A 78 -20.626 15.345 9.854 1.00 34.22 O ATOM 1089 CB SER A 78 -21.765 15.432 12.720 1.00 21.33 C ATOM 1090 OG SER A 78 -22.588 14.928 11.683 1.00 24.13 O ATOM 0 H SER A 78 -20.966 17.597 10.901 1.00 32.31 H new ATOM 0 HA SER A 78 -19.678 15.905 12.915 1.00 41.31 H new ATOM 0 HB2 SER A 78 -21.545 14.637 13.433 1.00 21.33 H new ATOM 0 HB3 SER A 78 -22.298 16.211 13.266 1.00 21.33 H new ATOM 0 HG SER A 78 -23.416 14.570 12.067 1.00 24.13 H new ATOM 1096 N VAL A 79 -19.010 14.377 11.086 1.00 23.44 N ATOM 1097 CA VAL A 79 -18.507 13.562 9.986 1.00 44.21 C ATOM 1098 C VAL A 79 -18.232 12.134 10.443 1.00 41.20 C ATOM 1099 O VAL A 79 -17.393 11.901 11.313 1.00 30.42 O ATOM 1100 CB VAL A 79 -17.218 14.157 9.390 1.00 60.13 C ATOM 1101 CG1 VAL A 79 -16.820 13.410 8.126 1.00 31.34 C ATOM 1102 CG2 VAL A 79 -17.399 15.641 9.107 1.00 13.22 C ATOM 0 H VAL A 79 -18.511 14.251 11.967 1.00 23.44 H new ATOM 0 HA VAL A 79 -19.281 13.552 9.219 1.00 44.21 H new ATOM 0 HB VAL A 79 -16.415 14.044 10.118 1.00 60.13 H new ATOM 0 HG11 VAL A 79 -15.907 13.844 7.719 1.00 31.34 H new ATOM 0 HG12 VAL A 79 -16.648 12.360 8.363 1.00 31.34 H new ATOM 0 HG13 VAL A 79 -17.619 13.490 7.389 1.00 31.34 H new ATOM 0 HG21 VAL A 79 -16.479 16.046 8.686 1.00 13.22 H new ATOM 0 HG22 VAL A 79 -18.214 15.779 8.397 1.00 13.22 H new ATOM 0 HG23 VAL A 79 -17.634 16.162 10.035 1.00 13.22 H new ATOM 1112 N SER A 80 -18.942 11.181 9.848 1.00 0.24 N ATOM 1113 CA SER A 80 -18.776 9.774 10.195 1.00 71.33 C ATOM 1114 C SER A 80 -17.914 9.057 9.160 1.00 20.41 C ATOM 1115 O SER A 80 -18.242 9.032 7.973 1.00 54.52 O ATOM 1116 CB SER A 80 -20.139 9.089 10.303 1.00 43.12 C ATOM 1117 OG SER A 80 -21.092 9.714 9.462 1.00 43.31 O ATOM 0 H SER A 80 -19.638 11.357 9.123 1.00 0.24 H new ATOM 0 HA SER A 80 -18.273 9.721 11.161 1.00 71.33 H new ATOM 0 HB2 SER A 80 -20.044 8.038 10.031 1.00 43.12 H new ATOM 0 HB3 SER A 80 -20.485 9.121 11.336 1.00 43.12 H new ATOM 0 HG SER A 80 -21.954 9.256 9.548 1.00 43.31 H new ATOM 1123 N PHE A 81 -16.811 8.474 9.618 1.00 64.41 N ATOM 1124 CA PHE A 81 -15.901 7.757 8.734 1.00 42.31 C ATOM 1125 C PHE A 81 -15.900 6.264 9.049 1.00 15.52 C ATOM 1126 O PHE A 81 -15.847 5.864 10.211 1.00 51.31 O ATOM 1127 CB PHE A 81 -14.483 8.318 8.862 1.00 3.55 C ATOM 1128 CG PHE A 81 -13.803 7.942 10.146 1.00 71.32 C ATOM 1129 CD1 PHE A 81 -13.090 6.757 10.246 1.00 40.05 C ATOM 1130 CD2 PHE A 81 -13.876 8.771 11.253 1.00 60.21 C ATOM 1131 CE1 PHE A 81 -12.463 6.408 11.428 1.00 25.12 C ATOM 1132 CE2 PHE A 81 -13.252 8.427 12.438 1.00 4.01 C ATOM 1133 CZ PHE A 81 -12.544 7.244 12.525 1.00 1.41 C ATOM 0 H PHE A 81 -16.526 8.484 10.597 1.00 64.41 H new ATOM 0 HA PHE A 81 -16.247 7.894 7.709 1.00 42.31 H new ATOM 0 HB2 PHE A 81 -13.883 7.962 8.025 1.00 3.55 H new ATOM 0 HB3 PHE A 81 -14.523 9.405 8.786 1.00 3.55 H new ATOM 0 HD1 PHE A 81 -13.024 6.100 9.392 1.00 40.05 H new ATOM 0 HD2 PHE A 81 -14.427 9.698 11.190 1.00 60.21 H new ATOM 0 HE1 PHE A 81 -11.910 5.482 11.494 1.00 25.12 H new ATOM 0 HE2 PHE A 81 -13.318 9.082 13.294 1.00 4.01 H new ATOM 0 HZ PHE A 81 -12.055 6.973 13.449 1.00 1.41 H new ATOM 1143 N GLY A 82 -15.958 5.444 8.004 1.00 41.11 N ATOM 1144 CA GLY A 82 -15.963 4.005 8.190 1.00 11.52 C ATOM 1145 C GLY A 82 -14.705 3.347 7.657 1.00 63.14 C ATOM 1146 O GLY A 82 -13.816 4.022 7.137 1.00 72.40 O ATOM 0 H GLY A 82 -16.002 5.751 7.032 1.00 41.11 H new ATOM 0 HA2 GLY A 82 -16.066 3.779 9.251 1.00 11.52 H new ATOM 0 HA3 GLY A 82 -16.832 3.580 7.688 1.00 11.52 H new ATOM 1150 N PHE A 83 -14.629 2.027 7.787 1.00 70.21 N ATOM 1151 CA PHE A 83 -13.469 1.278 7.318 1.00 23.43 C ATOM 1152 C PHE A 83 -13.699 -0.224 7.455 1.00 22.30 C ATOM 1153 O PHE A 83 -14.722 -0.660 7.983 1.00 4.22 O ATOM 1154 CB PHE A 83 -12.220 1.687 8.101 1.00 24.11 C ATOM 1155 CG PHE A 83 -12.152 1.089 9.477 1.00 34.33 C ATOM 1156 CD1 PHE A 83 -11.549 -0.141 9.682 1.00 34.45 C ATOM 1157 CD2 PHE A 83 -12.691 1.756 10.565 1.00 42.44 C ATOM 1158 CE1 PHE A 83 -11.486 -0.696 10.948 1.00 42.41 C ATOM 1159 CE2 PHE A 83 -12.630 1.208 11.833 1.00 45.10 C ATOM 1160 CZ PHE A 83 -12.026 -0.019 12.024 1.00 23.11 C ATOM 0 H PHE A 83 -15.357 1.454 8.213 1.00 70.21 H new ATOM 0 HA PHE A 83 -13.321 1.510 6.263 1.00 23.43 H new ATOM 0 HB2 PHE A 83 -11.335 1.388 7.540 1.00 24.11 H new ATOM 0 HB3 PHE A 83 -12.193 2.773 8.184 1.00 24.11 H new ATOM 0 HD1 PHE A 83 -11.123 -0.673 8.844 1.00 34.45 H new ATOM 0 HD2 PHE A 83 -13.165 2.716 10.421 1.00 42.44 H new ATOM 0 HE1 PHE A 83 -11.015 -1.657 11.095 1.00 42.41 H new ATOM 0 HE2 PHE A 83 -13.054 1.739 12.673 1.00 45.10 H new ATOM 0 HZ PHE A 83 -11.976 -0.449 13.014 1.00 23.11 H new ATOM 1170 N ASN A 84 -12.741 -1.010 6.976 1.00 2.25 N ATOM 1171 CA ASN A 84 -12.840 -2.464 7.042 1.00 70.45 C ATOM 1172 C ASN A 84 -11.556 -3.071 7.600 1.00 71.15 C ATOM 1173 O ASN A 84 -10.464 -2.814 7.093 1.00 64.02 O ATOM 1174 CB ASN A 84 -13.130 -3.041 5.656 1.00 51.45 C ATOM 1175 CG ASN A 84 -12.076 -2.654 4.637 1.00 12.12 C ATOM 1176 OD1 ASN A 84 -11.797 -1.473 4.433 1.00 1.14 O ATOM 1177 ND2 ASN A 84 -11.484 -3.653 3.990 1.00 40.14 N ATOM 0 H ASN A 84 -11.887 -0.665 6.538 1.00 2.25 H new ATOM 0 HA ASN A 84 -13.662 -2.717 7.711 1.00 70.45 H new ATOM 0 HB2 ASN A 84 -13.186 -4.128 5.722 1.00 51.45 H new ATOM 0 HB3 ASN A 84 -14.105 -2.692 5.317 1.00 51.45 H new ATOM 0 HD21 ASN A 84 -10.767 -3.455 3.292 1.00 40.14 H new ATOM 0 HD22 ASN A 84 -11.747 -4.618 4.191 1.00 40.14 H new ATOM 1184 N GLY A 85 -11.695 -3.878 8.647 1.00 55.35 N ATOM 1185 CA GLY A 85 -10.538 -4.508 9.256 1.00 23.22 C ATOM 1186 C GLY A 85 -10.735 -5.996 9.471 1.00 10.53 C ATOM 1187 O GLY A 85 -11.861 -6.459 9.657 1.00 13.33 O ATOM 0 H GLY A 85 -12.588 -4.107 9.084 1.00 55.35 H new ATOM 0 HA2 GLY A 85 -9.665 -4.348 8.623 1.00 23.22 H new ATOM 0 HA3 GLY A 85 -10.329 -4.030 10.213 1.00 23.22 H new ATOM 1191 N SER A 86 -9.638 -6.747 9.443 1.00 30.32 N ATOM 1192 CA SER A 86 -9.697 -8.192 9.630 1.00 42.44 C ATOM 1193 C SER A 86 -9.548 -8.555 11.104 1.00 40.12 C ATOM 1194 O SER A 86 -8.484 -8.373 11.696 1.00 23.10 O ATOM 1195 CB SER A 86 -8.601 -8.878 8.811 1.00 21.02 C ATOM 1196 OG SER A 86 -7.724 -7.926 8.234 1.00 25.22 O ATOM 0 H SER A 86 -8.699 -6.379 9.293 1.00 30.32 H new ATOM 0 HA SER A 86 -10.671 -8.539 9.285 1.00 42.44 H new ATOM 0 HB2 SER A 86 -8.036 -9.557 9.450 1.00 21.02 H new ATOM 0 HB3 SER A 86 -9.054 -9.483 8.025 1.00 21.02 H new ATOM 0 HG SER A 86 -8.202 -7.413 7.549 1.00 25.22 H new ATOM 1202 N GLY A 87 -10.623 -9.070 11.692 1.00 32.54 N ATOM 1203 CA GLY A 87 -10.592 -9.452 13.092 1.00 0.10 C ATOM 1204 C GLY A 87 -11.971 -9.454 13.723 1.00 51.11 C ATOM 1205 O GLY A 87 -12.991 -9.515 13.036 1.00 71.02 O ATOM 0 H GLY A 87 -11.515 -9.230 11.224 1.00 32.54 H new ATOM 0 HA2 GLY A 87 -10.152 -10.445 13.185 1.00 0.10 H new ATOM 0 HA3 GLY A 87 -9.947 -8.765 13.639 1.00 0.10 H new ATOM 1209 N PRO A 88 -12.013 -9.388 15.061 1.00 72.51 N ATOM 1210 CA PRO A 88 -13.271 -9.382 15.814 1.00 72.12 C ATOM 1211 C PRO A 88 -14.053 -8.086 15.628 1.00 53.22 C ATOM 1212 O PRO A 88 -15.264 -8.105 15.417 1.00 2.14 O ATOM 1213 CB PRO A 88 -12.816 -9.528 17.268 1.00 54.24 C ATOM 1214 CG PRO A 88 -11.428 -8.984 17.287 1.00 4.01 C ATOM 1215 CD PRO A 88 -10.837 -9.314 15.944 1.00 41.41 C ATOM 0 HA PRO A 88 -13.947 -10.171 15.483 1.00 72.12 H new ATOM 0 HB2 PRO A 88 -13.467 -8.974 17.944 1.00 54.24 H new ATOM 0 HB3 PRO A 88 -12.837 -10.570 17.587 1.00 54.24 H new ATOM 0 HG2 PRO A 88 -11.433 -7.907 17.458 1.00 4.01 H new ATOM 0 HG3 PRO A 88 -10.844 -9.432 18.091 1.00 4.01 H new ATOM 0 HD2 PRO A 88 -10.135 -8.548 15.615 1.00 41.41 H new ATOM 0 HD3 PRO A 88 -10.291 -10.257 15.966 1.00 41.41 H new ATOM 1223 N GLY A 89 -13.350 -6.960 15.708 1.00 13.02 N ATOM 1224 CA GLY A 89 -13.995 -5.670 15.545 1.00 52.52 C ATOM 1225 C GLY A 89 -14.386 -5.046 16.870 1.00 23.33 C ATOM 1226 O GLY A 89 -15.333 -4.262 16.939 1.00 35.52 O ATOM 0 H GLY A 89 -12.346 -6.918 15.883 1.00 13.02 H new ATOM 0 HA2 GLY A 89 -13.323 -4.996 15.014 1.00 52.52 H new ATOM 0 HA3 GLY A 89 -14.884 -5.787 14.926 1.00 52.52 H new ATOM 1230 N SER A 90 -13.658 -5.396 17.925 1.00 12.20 N ATOM 1231 CA SER A 90 -13.938 -4.870 19.256 1.00 52.43 C ATOM 1232 C SER A 90 -12.815 -3.948 19.723 1.00 2.15 C ATOM 1233 O SER A 90 -11.981 -4.315 20.552 1.00 4.13 O ATOM 1234 CB SER A 90 -14.121 -6.016 20.253 1.00 54.33 C ATOM 1235 OG SER A 90 -15.220 -6.834 19.893 1.00 2.40 O ATOM 0 H SER A 90 -12.870 -6.042 17.884 1.00 12.20 H new ATOM 0 HA SER A 90 -14.861 -4.293 19.205 1.00 52.43 H new ATOM 0 HB2 SER A 90 -13.213 -6.618 20.291 1.00 54.33 H new ATOM 0 HB3 SER A 90 -14.277 -5.611 21.253 1.00 54.33 H new ATOM 0 HG SER A 90 -15.315 -7.560 20.545 1.00 2.40 H new ATOM 1241 N PRO A 91 -12.791 -2.723 19.178 1.00 71.43 N ATOM 1242 CA PRO A 91 -11.776 -1.723 19.524 1.00 64.24 C ATOM 1243 C PRO A 91 -11.943 -1.196 20.945 1.00 41.13 C ATOM 1244 O PRO A 91 -12.974 -1.412 21.582 1.00 34.25 O ATOM 1245 CB PRO A 91 -12.019 -0.606 18.507 1.00 43.23 C ATOM 1246 CG PRO A 91 -13.452 -0.747 18.124 1.00 53.33 C ATOM 1247 CD PRO A 91 -13.753 -2.219 18.185 1.00 24.13 C ATOM 0 HA PRO A 91 -10.768 -2.136 19.491 1.00 64.24 H new ATOM 0 HB2 PRO A 91 -11.820 0.374 18.940 1.00 43.23 H new ATOM 0 HB3 PRO A 91 -11.366 -0.710 17.641 1.00 43.23 H new ATOM 0 HG2 PRO A 91 -14.095 -0.189 18.805 1.00 53.33 H new ATOM 0 HG3 PRO A 91 -13.629 -0.353 17.123 1.00 53.33 H new ATOM 0 HD2 PRO A 91 -14.782 -2.406 18.491 1.00 24.13 H new ATOM 0 HD3 PRO A 91 -13.617 -2.697 17.215 1.00 24.13 H new ATOM 1255 N SER A 92 -10.922 -0.501 21.437 1.00 33.22 N ATOM 1256 CA SER A 92 -10.953 0.055 22.785 1.00 24.10 C ATOM 1257 C SER A 92 -10.151 1.350 22.857 1.00 60.23 C ATOM 1258 O SER A 92 -9.581 1.796 21.863 1.00 43.11 O ATOM 1259 CB SER A 92 -10.401 -0.958 23.790 1.00 71.04 C ATOM 1260 OG SER A 92 -11.442 -1.734 24.357 1.00 13.22 O ATOM 0 H SER A 92 -10.063 -0.309 20.922 1.00 33.22 H new ATOM 0 HA SER A 92 -11.990 0.277 23.036 1.00 24.10 H new ATOM 0 HB2 SER A 92 -9.684 -1.613 23.295 1.00 71.04 H new ATOM 0 HB3 SER A 92 -9.862 -0.435 24.580 1.00 71.04 H new ATOM 0 HG SER A 92 -12.162 -1.844 23.702 1.00 13.22 H new ATOM 1266 N ASN A 93 -10.112 1.949 24.043 1.00 64.13 N ATOM 1267 CA ASN A 93 -9.380 3.194 24.247 1.00 43.10 C ATOM 1268 C ASN A 93 -9.786 4.239 23.211 1.00 63.53 C ATOM 1269 O ASN A 93 -8.964 4.688 22.412 1.00 20.30 O ATOM 1270 CB ASN A 93 -7.873 2.943 24.171 1.00 44.40 C ATOM 1271 CG ASN A 93 -7.292 2.505 25.501 1.00 13.02 C ATOM 1272 OD1 ASN A 93 -6.862 3.332 26.305 1.00 34.40 O ATOM 1273 ND2 ASN A 93 -7.276 1.198 25.737 1.00 64.45 N ATOM 0 H ASN A 93 -10.579 1.593 24.877 1.00 64.13 H new ATOM 0 HA ASN A 93 -9.628 3.574 25.238 1.00 43.10 H new ATOM 0 HB2 ASN A 93 -7.672 2.178 23.421 1.00 44.40 H new ATOM 0 HB3 ASN A 93 -7.372 3.853 23.841 1.00 44.40 H new ATOM 0 HD21 ASN A 93 -6.896 0.843 26.614 1.00 64.45 H new ATOM 0 HD22 ASN A 93 -7.644 0.550 25.041 1.00 64.45 H new ATOM 1280 N CYS A 94 -11.058 4.623 23.234 1.00 32.33 N ATOM 1281 CA CYS A 94 -11.573 5.615 22.297 1.00 4.11 C ATOM 1282 C CYS A 94 -11.197 7.026 22.738 1.00 24.44 C ATOM 1283 O CYS A 94 -11.800 7.583 23.656 1.00 51.41 O ATOM 1284 CB CYS A 94 -13.094 5.494 22.179 1.00 13.24 C ATOM 1285 SG CYS A 94 -13.684 3.798 21.958 1.00 33.02 S ATOM 0 H CYS A 94 -11.751 4.263 23.890 1.00 32.33 H new ATOM 0 HA CYS A 94 -11.123 5.426 21.322 1.00 4.11 H new ATOM 0 HB2 CYS A 94 -13.552 5.913 23.075 1.00 13.24 H new ATOM 0 HB3 CYS A 94 -13.432 6.098 21.337 1.00 13.24 H new ATOM 0 HG CYS A 94 -14.981 3.798 21.870 1.00 33.02 H new ATOM 1291 N LYS A 95 -10.196 7.598 22.079 1.00 53.13 N ATOM 1292 CA LYS A 95 -9.737 8.944 22.402 1.00 51.05 C ATOM 1293 C LYS A 95 -9.479 9.750 21.133 1.00 63.54 C ATOM 1294 O LYS A 95 -8.955 9.227 20.148 1.00 61.25 O ATOM 1295 CB LYS A 95 -8.463 8.883 23.247 1.00 32.40 C ATOM 1296 CG LYS A 95 -7.475 7.826 22.782 1.00 62.11 C ATOM 1297 CD LYS A 95 -7.377 6.679 23.774 1.00 44.53 C ATOM 1298 CE LYS A 95 -6.475 7.033 24.948 1.00 22.05 C ATOM 1299 NZ LYS A 95 -5.540 5.924 25.281 1.00 62.13 N ATOM 0 H LYS A 95 -9.686 7.150 21.317 1.00 53.13 H new ATOM 0 HA LYS A 95 -10.521 9.440 22.974 1.00 51.05 H new ATOM 0 HB2 LYS A 95 -7.976 9.858 23.226 1.00 32.40 H new ATOM 0 HB3 LYS A 95 -8.734 8.684 24.284 1.00 32.40 H new ATOM 0 HG2 LYS A 95 -7.783 7.442 21.810 1.00 62.11 H new ATOM 0 HG3 LYS A 95 -6.492 8.279 22.649 1.00 62.11 H new ATOM 0 HD2 LYS A 95 -8.372 6.428 24.141 1.00 44.53 H new ATOM 0 HD3 LYS A 95 -6.990 5.793 23.271 1.00 44.53 H new ATOM 0 HE2 LYS A 95 -5.904 7.931 24.710 1.00 22.05 H new ATOM 0 HE3 LYS A 95 -7.087 7.266 25.819 1.00 22.05 H new ATOM 0 HZ1 LYS A 95 -4.876 6.239 26.016 1.00 62.13 H new ATOM 0 HZ2 LYS A 95 -6.081 5.107 25.630 1.00 62.13 H new ATOM 0 HZ3 LYS A 95 -5.009 5.650 24.430 1.00 62.13 H new ATOM 1313 N LEU A 96 -9.849 11.026 21.163 1.00 14.42 N ATOM 1314 CA LEU A 96 -9.655 11.906 20.015 1.00 24.15 C ATOM 1315 C LEU A 96 -9.415 13.343 20.464 1.00 23.22 C ATOM 1316 O LEU A 96 -9.822 13.738 21.556 1.00 41.40 O ATOM 1317 CB LEU A 96 -10.872 11.845 19.090 1.00 30.21 C ATOM 1318 CG LEU A 96 -12.221 12.169 19.733 1.00 61.04 C ATOM 1319 CD1 LEU A 96 -12.425 13.675 19.813 1.00 32.52 C ATOM 1320 CD2 LEU A 96 -13.354 11.517 18.955 1.00 31.11 C ATOM 0 H LEU A 96 -10.285 11.474 21.969 1.00 14.42 H new ATOM 0 HA LEU A 96 -8.775 11.564 19.471 1.00 24.15 H new ATOM 0 HB2 LEU A 96 -10.710 12.537 18.264 1.00 30.21 H new ATOM 0 HB3 LEU A 96 -10.928 10.844 18.661 1.00 30.21 H new ATOM 0 HG LEU A 96 -12.225 11.767 20.746 1.00 61.04 H new ATOM 0 HD11 LEU A 96 -13.390 13.888 20.273 1.00 32.52 H new ATOM 0 HD12 LEU A 96 -11.631 14.118 20.414 1.00 32.52 H new ATOM 0 HD13 LEU A 96 -12.400 14.099 18.809 1.00 32.52 H new ATOM 0 HD21 LEU A 96 -14.306 11.759 19.427 1.00 31.11 H new ATOM 0 HD22 LEU A 96 -13.353 11.889 17.930 1.00 31.11 H new ATOM 0 HD23 LEU A 96 -13.216 10.436 18.949 1.00 31.11 H new ATOM 1332 N ASN A 97 -8.755 14.121 19.613 1.00 55.21 N ATOM 1333 CA ASN A 97 -8.462 15.516 19.922 1.00 30.22 C ATOM 1334 C ASN A 97 -7.526 15.623 21.122 1.00 55.14 C ATOM 1335 O ASN A 97 -7.727 16.451 22.009 1.00 12.20 O ATOM 1336 CB ASN A 97 -9.757 16.280 20.203 1.00 41.20 C ATOM 1337 CG ASN A 97 -9.641 17.756 19.875 1.00 54.51 C ATOM 1338 OD1 ASN A 97 -9.610 18.602 20.770 1.00 23.02 O ATOM 1339 ND2 ASN A 97 -9.575 18.072 18.587 1.00 24.02 N ATOM 0 H ASN A 97 -8.413 13.810 18.704 1.00 55.21 H new ATOM 0 HA ASN A 97 -7.967 15.957 19.057 1.00 30.22 H new ATOM 0 HB2 ASN A 97 -10.567 15.843 19.619 1.00 41.20 H new ATOM 0 HB3 ASN A 97 -10.023 16.164 21.254 1.00 41.20 H new ATOM 0 HD21 ASN A 97 -9.495 19.049 18.305 1.00 24.02 H new ATOM 0 HD22 ASN A 97 -9.604 17.338 17.880 1.00 24.02 H new ATOM 1346 N GLY A 98 -6.499 14.778 21.141 1.00 73.42 N ATOM 1347 CA GLY A 98 -5.545 14.794 22.235 1.00 63.54 C ATOM 1348 C GLY A 98 -6.124 14.226 23.516 1.00 14.14 C ATOM 1349 O GLY A 98 -5.905 14.767 24.599 1.00 41.22 O ATOM 0 H GLY A 98 -6.311 14.083 20.419 1.00 73.42 H new ATOM 0 HA2 GLY A 98 -4.663 14.220 21.952 1.00 63.54 H new ATOM 0 HA3 GLY A 98 -5.216 15.818 22.411 1.00 63.54 H new ATOM 1353 N GLY A 99 -6.867 13.129 23.393 1.00 44.04 N ATOM 1354 CA GLY A 99 -7.468 12.507 24.557 1.00 22.12 C ATOM 1355 C GLY A 99 -8.739 13.207 24.997 1.00 31.54 C ATOM 1356 O GLY A 99 -8.760 13.881 26.026 1.00 63.43 O ATOM 0 H GLY A 99 -7.063 12.661 22.508 1.00 44.04 H new ATOM 0 HA2 GLY A 99 -7.690 11.464 24.334 1.00 22.12 H new ATOM 0 HA3 GLY A 99 -6.751 12.511 25.378 1.00 22.12 H new ATOM 1360 N SER A 100 -9.802 13.047 24.215 1.00 3.25 N ATOM 1361 CA SER A 100 -11.082 13.672 24.527 1.00 14.51 C ATOM 1362 C SER A 100 -12.232 12.911 23.874 1.00 63.43 C ATOM 1363 O SER A 100 -12.452 13.012 22.667 1.00 50.14 O ATOM 1364 CB SER A 100 -11.089 15.129 24.058 1.00 70.23 C ATOM 1365 OG SER A 100 -11.944 15.920 24.864 1.00 34.41 O ATOM 0 H SER A 100 -9.802 12.490 23.361 1.00 3.25 H new ATOM 0 HA SER A 100 -11.218 13.644 25.608 1.00 14.51 H new ATOM 0 HB2 SER A 100 -10.076 15.531 24.094 1.00 70.23 H new ATOM 0 HB3 SER A 100 -11.415 15.178 23.019 1.00 70.23 H new ATOM 0 HG SER A 100 -11.929 16.847 24.545 1.00 34.41 H new ATOM 1371 N CYS A 101 -12.962 12.150 24.682 1.00 14.35 N ATOM 1372 CA CYS A 101 -14.090 11.370 24.185 1.00 31.13 C ATOM 1373 C CYS A 101 -15.092 11.091 25.300 1.00 14.11 C ATOM 1374 O CYS A 101 -14.709 10.777 26.428 1.00 24.32 O ATOM 1375 CB CYS A 101 -13.600 10.053 23.581 1.00 73.13 C ATOM 1376 SG CYS A 101 -14.922 8.991 22.953 1.00 51.44 S ATOM 0 H CYS A 101 -12.793 12.056 25.684 1.00 14.35 H new ATOM 0 HA CYS A 101 -14.589 11.952 23.411 1.00 31.13 H new ATOM 0 HB2 CYS A 101 -12.909 10.274 22.768 1.00 73.13 H new ATOM 0 HB3 CYS A 101 -13.038 9.506 24.338 1.00 73.13 H new ATOM 0 HG CYS A 101 -14.408 7.903 22.461 1.00 51.44 H new