USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 911 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 109 MET CE :methyl -144:sc= -0.167 (180deg=-0.747) USER MOD Set 1.2: A 113 MET CE :methyl -137:sc= -0.152 (180deg=0) USER MOD Set 2.1: A 56 THR OG1 : rot 151:sc= -1.65 USER MOD Set 2.2: A 59 GLN : amide:sc= -1.27 K(o=-2.9,f=-3.5) USER MOD Set 3.1: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.0752 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.00081) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.17 K(o=-2.2,f=-7.9!) USER MOD Single : A 45 SER OG : rot 106:sc= 1.2 USER MOD Single : A 46 THR OG1 : rot 35:sc= 1.25 USER MOD Single : A 65 CYS SG : rot 51:sc= 0.642 USER MOD Single : A 68 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.44) USER MOD Single : A 73 LYS NZ :NH3+ -145:sc= -0.0223 (180deg=-0.387) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0572 USER MOD Single : A 77 SER OG : rot 180:sc= 0.241 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 62:sc= 1.17 USER MOD Single : A 88 LYS NZ :NH3+ -105:sc= -2.07 (180deg=-7.42!) USER MOD Single : A 97 ASN : amide:sc=-0.00262 X(o=-0.0026,f=-0.094) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.221 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0.00528 USER MOD Single : A 112 GLN : amide:sc= -0.173 K(o=-0.17,f=-1) USER MOD Single : A 117 THR OG1 : rot -143:sc= -0.0181 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 9.307 3.592 0.669 1.00 13.00 N ATOM 2 CA GLY A 2 9.670 4.683 -0.215 1.00 45.03 C ATOM 3 C GLY A 2 8.532 5.091 -1.132 1.00 14.43 C ATOM 4 O GLY A 2 7.466 4.477 -1.117 1.00 33.41 O ATOM 0 HA2 GLY A 2 9.978 5.542 0.381 1.00 45.03 H new ATOM 0 HA3 GLY A 2 10.530 4.388 -0.817 1.00 45.03 H new ATOM 8 N ASN A 3 8.759 6.129 -1.928 1.00 44.23 N ATOM 9 CA ASN A 3 7.743 6.619 -2.853 1.00 40.50 C ATOM 10 C ASN A 3 7.812 5.872 -4.182 1.00 73.33 C ATOM 11 O ASN A 3 8.667 6.153 -5.021 1.00 74.55 O ATOM 12 CB ASN A 3 7.920 8.120 -3.089 1.00 62.44 C ATOM 13 CG ASN A 3 7.822 8.923 -1.807 1.00 33.25 C ATOM 14 OD1 ASN A 3 6.806 8.882 -1.111 1.00 65.00 O ATOM 15 ND2 ASN A 3 8.880 9.658 -1.486 1.00 41.55 N ATOM 0 H ASN A 3 9.637 6.648 -1.952 1.00 44.23 H new ATOM 0 HA ASN A 3 6.765 6.441 -2.407 1.00 40.50 H new ATOM 0 HB2 ASN A 3 8.889 8.300 -3.554 1.00 62.44 H new ATOM 0 HB3 ASN A 3 7.161 8.467 -3.790 1.00 62.44 H new ATOM 0 HD21 ASN A 3 8.872 10.218 -0.634 1.00 41.55 H new ATOM 0 HD22 ASN A 3 9.701 9.662 -2.092 1.00 41.55 H new ATOM 22 N GLY A 4 6.903 4.919 -4.366 1.00 43.01 N ATOM 23 CA GLY A 4 6.878 4.147 -5.595 1.00 34.42 C ATOM 24 C GLY A 4 6.223 4.898 -6.737 1.00 24.24 C ATOM 25 O GLY A 4 5.865 6.067 -6.597 1.00 15.52 O ATOM 0 H GLY A 4 6.184 4.668 -3.687 1.00 43.01 H new ATOM 0 HA2 GLY A 4 7.898 3.883 -5.875 1.00 34.42 H new ATOM 0 HA3 GLY A 4 6.342 3.213 -5.423 1.00 34.42 H new ATOM 29 N GLN A 5 6.068 4.225 -7.873 1.00 24.25 N ATOM 30 CA GLN A 5 5.454 4.838 -9.046 1.00 12.45 C ATOM 31 C GLN A 5 4.497 3.867 -9.730 1.00 11.33 C ATOM 32 O GLN A 5 4.863 2.732 -10.037 1.00 33.43 O ATOM 33 CB GLN A 5 6.531 5.291 -10.033 1.00 73.04 C ATOM 34 CG GLN A 5 6.236 6.635 -10.679 1.00 41.41 C ATOM 35 CD GLN A 5 7.239 7.703 -10.289 1.00 11.33 C ATOM 36 OE1 GLN A 5 7.135 8.307 -9.220 1.00 43.42 O ATOM 37 NE2 GLN A 5 8.218 7.941 -11.153 1.00 62.55 N ATOM 0 H GLN A 5 6.359 3.256 -8.006 1.00 24.25 H new ATOM 0 HA GLN A 5 4.885 5.707 -8.715 1.00 12.45 H new ATOM 0 HB2 GLN A 5 7.487 5.349 -9.513 1.00 73.04 H new ATOM 0 HB3 GLN A 5 6.637 4.537 -10.813 1.00 73.04 H new ATOM 0 HG2 GLN A 5 6.236 6.521 -11.763 1.00 41.41 H new ATOM 0 HG3 GLN A 5 5.236 6.960 -10.393 1.00 41.41 H new ATOM 0 HE21 GLN A 5 8.266 7.417 -12.027 1.00 62.55 H new ATOM 0 HE22 GLN A 5 8.923 8.648 -10.943 1.00 62.55 H new ATOM 46 N GLY A 6 3.270 4.319 -9.965 1.00 65.41 N ATOM 47 CA GLY A 6 2.279 3.478 -10.611 1.00 54.42 C ATOM 48 C GLY A 6 1.376 4.258 -11.544 1.00 25.34 C ATOM 49 O GLY A 6 1.593 5.447 -11.780 1.00 23.44 O ATOM 0 H GLY A 6 2.944 5.254 -9.719 1.00 65.41 H new ATOM 0 HA2 GLY A 6 2.784 2.692 -11.172 1.00 54.42 H new ATOM 0 HA3 GLY A 6 1.673 2.987 -9.850 1.00 54.42 H new ATOM 53 N ARG A 7 0.360 3.588 -12.078 1.00 70.33 N ATOM 54 CA ARG A 7 -0.579 4.226 -12.994 1.00 2.13 C ATOM 55 C ARG A 7 -1.406 5.287 -12.273 1.00 52.32 C ATOM 56 O ARG A 7 -1.396 6.459 -12.651 1.00 64.11 O ATOM 57 CB ARG A 7 -1.505 3.180 -13.619 1.00 71.52 C ATOM 58 CG ARG A 7 -0.768 1.990 -14.210 1.00 1.00 C ATOM 59 CD ARG A 7 -1.617 1.267 -15.243 1.00 23.42 C ATOM 60 NE ARG A 7 -1.334 1.723 -16.602 1.00 13.11 N ATOM 61 CZ ARG A 7 -2.108 1.448 -17.646 1.00 14.52 C ATOM 62 NH1 ARG A 7 -3.206 0.724 -17.488 1.00 31.14 N ATOM 63 NH2 ARG A 7 -1.783 1.899 -18.851 1.00 61.31 N ATOM 0 H ARG A 7 0.166 2.604 -11.892 1.00 70.33 H new ATOM 0 HA ARG A 7 -0.005 4.712 -13.783 1.00 2.13 H new ATOM 0 HB2 ARG A 7 -2.202 2.825 -12.860 1.00 71.52 H new ATOM 0 HB3 ARG A 7 -2.099 3.654 -14.401 1.00 71.52 H new ATOM 0 HG2 ARG A 7 0.160 2.328 -14.672 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -0.494 1.298 -13.414 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -1.435 0.195 -15.175 1.00 23.42 H new ATOM 0 HD3 ARG A 7 -2.672 1.426 -15.020 1.00 23.42 H new ATOM 0 HE ARG A 7 -0.496 2.283 -16.758 1.00 13.11 H new ATOM 0 HH11 ARG A 7 -3.459 0.376 -16.563 1.00 31.14 H new ATOM 0 HH12 ARG A 7 -3.799 0.514 -18.291 1.00 31.14 H new ATOM 0 HH21 ARG A 7 -0.938 2.457 -18.976 1.00 61.31 H new ATOM 0 HH22 ARG A 7 -2.378 1.687 -19.652 1.00 61.31 H new ATOM 77 N ASP A 8 -2.121 4.868 -11.234 1.00 44.52 N ATOM 78 CA ASP A 8 -2.952 5.782 -10.461 1.00 32.15 C ATOM 79 C ASP A 8 -2.119 6.928 -9.893 1.00 4.33 C ATOM 80 O ASP A 8 -2.636 8.014 -9.633 1.00 4.30 O ATOM 81 CB ASP A 8 -3.650 5.032 -9.324 1.00 25.53 C ATOM 82 CG ASP A 8 -5.109 4.748 -9.629 1.00 73.11 C ATOM 83 OD1 ASP A 8 -5.973 5.160 -8.827 1.00 12.13 O ATOM 84 OD2 ASP A 8 -5.386 4.116 -10.670 1.00 52.44 O ATOM 0 H ASP A 8 -2.141 3.902 -10.908 1.00 44.52 H new ATOM 0 HA ASP A 8 -3.705 6.200 -11.128 1.00 32.15 H new ATOM 0 HB2 ASP A 8 -3.130 4.092 -9.140 1.00 25.53 H new ATOM 0 HB3 ASP A 8 -3.581 5.619 -8.408 1.00 25.53 H new ATOM 89 N TRP A 9 -0.830 6.675 -9.703 1.00 52.41 N ATOM 90 CA TRP A 9 0.075 7.685 -9.166 1.00 51.21 C ATOM 91 C TRP A 9 0.362 8.766 -10.202 1.00 41.11 C ATOM 92 O TRP A 9 0.005 9.930 -10.015 1.00 25.12 O ATOM 93 CB TRP A 9 1.384 7.038 -8.711 1.00 50.43 C ATOM 94 CG TRP A 9 2.058 7.780 -7.597 1.00 11.44 C ATOM 95 CD1 TRP A 9 3.354 8.209 -7.566 1.00 51.42 C ATOM 96 CD2 TRP A 9 1.472 8.178 -6.353 1.00 63.21 C ATOM 97 NE1 TRP A 9 3.609 8.850 -6.377 1.00 42.10 N ATOM 98 CE2 TRP A 9 2.470 8.845 -5.617 1.00 34.21 C ATOM 99 CE3 TRP A 9 0.201 8.037 -5.792 1.00 31.43 C ATOM 100 CZ2 TRP A 9 2.234 9.367 -4.348 1.00 61.24 C ATOM 101 CZ3 TRP A 9 -0.033 8.556 -4.532 1.00 52.30 C ATOM 102 CH2 TRP A 9 0.980 9.216 -3.822 1.00 73.31 C ATOM 0 H TRP A 9 -0.388 5.780 -9.912 1.00 52.41 H new ATOM 0 HA TRP A 9 -0.410 8.150 -8.308 1.00 51.21 H new ATOM 0 HB2 TRP A 9 1.183 6.017 -8.388 1.00 50.43 H new ATOM 0 HB3 TRP A 9 2.064 6.976 -9.560 1.00 50.43 H new ATOM 0 HD1 TRP A 9 4.073 8.066 -8.359 1.00 51.42 H new ATOM 0 HE1 TRP A 9 4.501 9.262 -6.105 1.00 42.10 H new ATOM 0 HE3 TRP A 9 -0.585 7.531 -6.333 1.00 31.43 H new ATOM 0 HZ2 TRP A 9 3.013 9.873 -3.798 1.00 61.24 H new ATOM 0 HZ3 TRP A 9 -1.012 8.451 -4.088 1.00 52.30 H new ATOM 0 HH2 TRP A 9 0.766 9.613 -2.841 1.00 73.31 H new ATOM 113 N LYS A 10 1.009 8.376 -11.295 1.00 32.14 N ATOM 114 CA LYS A 10 1.342 9.311 -12.363 1.00 30.22 C ATOM 115 C LYS A 10 0.083 9.950 -12.940 1.00 34.34 C ATOM 116 O LYS A 10 0.080 11.128 -13.292 1.00 74.51 O ATOM 117 CB LYS A 10 2.117 8.596 -13.471 1.00 2.54 C ATOM 118 CG LYS A 10 2.913 9.536 -14.361 1.00 22.24 C ATOM 119 CD LYS A 10 4.205 8.893 -14.837 1.00 3.21 C ATOM 120 CE LYS A 10 4.108 8.455 -16.290 1.00 63.34 C ATOM 121 NZ LYS A 10 5.174 7.481 -16.649 1.00 41.41 N ATOM 0 H LYS A 10 1.314 7.417 -11.465 1.00 32.14 H new ATOM 0 HA LYS A 10 1.966 10.098 -11.941 1.00 30.22 H new ATOM 0 HB2 LYS A 10 2.797 7.874 -13.019 1.00 2.54 H new ATOM 0 HB3 LYS A 10 1.417 8.032 -14.087 1.00 2.54 H new ATOM 0 HG2 LYS A 10 2.309 9.822 -15.222 1.00 22.24 H new ATOM 0 HG3 LYS A 10 3.141 10.451 -13.814 1.00 22.24 H new ATOM 0 HD2 LYS A 10 5.027 9.599 -14.723 1.00 3.21 H new ATOM 0 HD3 LYS A 10 4.436 8.031 -14.211 1.00 3.21 H new ATOM 0 HE2 LYS A 10 3.131 8.006 -16.469 1.00 63.34 H new ATOM 0 HE3 LYS A 10 4.181 9.328 -16.938 1.00 63.34 H new ATOM 0 HZ1 LYS A 10 5.073 7.208 -17.647 1.00 41.41 H new ATOM 0 HZ2 LYS A 10 6.107 7.917 -16.502 1.00 41.41 H new ATOM 0 HZ3 LYS A 10 5.089 6.636 -16.048 1.00 41.41 H new ATOM 135 N MET A 11 -0.985 9.163 -13.032 1.00 22.12 N ATOM 136 CA MET A 11 -2.251 9.654 -13.564 1.00 42.22 C ATOM 137 C MET A 11 -2.873 10.682 -12.625 1.00 33.30 C ATOM 138 O MET A 11 -3.480 11.656 -13.070 1.00 43.32 O ATOM 139 CB MET A 11 -3.221 8.492 -13.782 1.00 20.22 C ATOM 140 CG MET A 11 -4.522 8.904 -14.453 1.00 34.01 C ATOM 141 SD MET A 11 -5.127 7.666 -15.616 1.00 42.35 S ATOM 142 CE MET A 11 -4.588 8.373 -17.172 1.00 1.34 C ATOM 0 H MET A 11 -0.999 8.184 -12.745 1.00 22.12 H new ATOM 0 HA MET A 11 -2.052 10.136 -14.521 1.00 42.22 H new ATOM 0 HB2 MET A 11 -2.733 7.731 -14.391 1.00 20.22 H new ATOM 0 HB3 MET A 11 -3.447 8.033 -12.820 1.00 20.22 H new ATOM 0 HG2 MET A 11 -5.280 9.081 -13.690 1.00 34.01 H new ATOM 0 HG3 MET A 11 -4.372 9.847 -14.978 1.00 34.01 H new ATOM 0 HE1 MET A 11 -4.889 7.721 -17.992 1.00 1.34 H new ATOM 0 HE2 MET A 11 -5.044 9.354 -17.303 1.00 1.34 H new ATOM 0 HE3 MET A 11 -3.503 8.475 -17.169 1.00 1.34 H new ATOM 152 N ALA A 12 -2.719 10.459 -11.324 1.00 4.32 N ATOM 153 CA ALA A 12 -3.264 11.366 -10.323 1.00 72.24 C ATOM 154 C ALA A 12 -2.618 12.744 -10.422 1.00 34.14 C ATOM 155 O ALA A 12 -3.307 13.765 -10.401 1.00 54.43 O ATOM 156 CB ALA A 12 -3.074 10.790 -8.927 1.00 5.21 C ATOM 0 H ALA A 12 -2.221 9.657 -10.939 1.00 4.32 H new ATOM 0 HA ALA A 12 -4.331 11.479 -10.514 1.00 72.24 H new ATOM 0 HB1 ALA A 12 -3.486 11.479 -8.190 1.00 5.21 H new ATOM 0 HB2 ALA A 12 -3.589 9.832 -8.856 1.00 5.21 H new ATOM 0 HB3 ALA A 12 -2.011 10.646 -8.734 1.00 5.21 H new ATOM 162 N ILE A 13 -1.295 12.765 -10.527 1.00 51.54 N ATOM 163 CA ILE A 13 -0.556 14.019 -10.629 1.00 2.35 C ATOM 164 C ILE A 13 -0.649 14.599 -12.035 1.00 23.41 C ATOM 165 O ILE A 13 -0.589 15.813 -12.224 1.00 74.34 O ATOM 166 CB ILE A 13 0.927 13.829 -10.261 1.00 41.54 C ATOM 167 CG1 ILE A 13 1.058 13.296 -8.833 1.00 32.23 C ATOM 168 CG2 ILE A 13 1.683 15.141 -10.413 1.00 23.44 C ATOM 169 CD1 ILE A 13 2.490 13.092 -8.393 1.00 11.52 C ATOM 0 H ILE A 13 -0.711 11.929 -10.544 1.00 51.54 H new ATOM 0 HA ILE A 13 -1.012 14.712 -9.922 1.00 2.35 H new ATOM 0 HB ILE A 13 1.363 13.099 -10.942 1.00 41.54 H new ATOM 0 HG12 ILE A 13 0.572 13.991 -8.148 1.00 32.23 H new ATOM 0 HG13 ILE A 13 0.525 12.348 -8.757 1.00 32.23 H new ATOM 0 HG21 ILE A 13 2.730 14.990 -10.149 1.00 23.44 H new ATOM 0 HG22 ILE A 13 1.615 15.483 -11.446 1.00 23.44 H new ATOM 0 HG23 ILE A 13 1.247 15.891 -9.753 1.00 23.44 H new ATOM 0 HD11 ILE A 13 2.506 12.713 -7.371 1.00 11.52 H new ATOM 0 HD12 ILE A 13 2.975 12.374 -9.054 1.00 11.52 H new ATOM 0 HD13 ILE A 13 3.023 14.042 -8.436 1.00 11.52 H new ATOM 181 N LYS A 14 -0.800 13.721 -13.023 1.00 41.15 N ATOM 182 CA LYS A 14 -0.906 14.146 -14.414 1.00 52.21 C ATOM 183 C LYS A 14 -2.173 14.964 -14.639 1.00 33.42 C ATOM 184 O LYS A 14 -2.142 16.008 -15.290 1.00 53.45 O ATOM 185 CB LYS A 14 -0.901 12.929 -15.341 1.00 51.40 C ATOM 186 CG LYS A 14 -1.173 13.271 -16.796 1.00 33.15 C ATOM 187 CD LYS A 14 -2.596 12.914 -17.196 1.00 52.40 C ATOM 188 CE LYS A 14 -2.695 12.602 -18.681 1.00 62.51 C ATOM 189 NZ LYS A 14 -3.794 11.642 -18.974 1.00 10.23 N ATOM 0 H LYS A 14 -0.852 12.712 -12.885 1.00 41.15 H new ATOM 0 HA LYS A 14 -0.045 14.774 -14.643 1.00 52.21 H new ATOM 0 HB2 LYS A 14 0.066 12.431 -15.268 1.00 51.40 H new ATOM 0 HB3 LYS A 14 -1.652 12.218 -14.997 1.00 51.40 H new ATOM 0 HG2 LYS A 14 -1.005 14.336 -16.958 1.00 33.15 H new ATOM 0 HG3 LYS A 14 -0.470 12.736 -17.434 1.00 33.15 H new ATOM 0 HD2 LYS A 14 -2.932 12.053 -16.619 1.00 52.40 H new ATOM 0 HD3 LYS A 14 -3.262 13.741 -16.952 1.00 52.40 H new ATOM 0 HE2 LYS A 14 -2.862 13.525 -19.236 1.00 62.51 H new ATOM 0 HE3 LYS A 14 -1.749 12.188 -19.029 1.00 62.51 H new ATOM 0 HZ1 LYS A 14 -3.828 11.455 -19.997 1.00 10.23 H new ATOM 0 HZ2 LYS A 14 -3.622 10.752 -18.465 1.00 10.23 H new ATOM 0 HZ3 LYS A 14 -4.701 12.048 -18.665 1.00 10.23 H new ATOM 203 N ARG A 15 -3.286 14.484 -14.093 1.00 44.05 N ATOM 204 CA ARG A 15 -4.564 15.172 -14.234 1.00 51.13 C ATOM 205 C ARG A 15 -4.635 16.382 -13.307 1.00 61.43 C ATOM 206 O ARG A 15 -5.155 17.434 -13.683 1.00 32.51 O ATOM 207 CB ARG A 15 -5.718 14.215 -13.930 1.00 25.31 C ATOM 208 CG ARG A 15 -6.409 13.681 -15.175 1.00 35.24 C ATOM 209 CD ARG A 15 -7.365 12.546 -14.837 1.00 51.04 C ATOM 210 NE ARG A 15 -8.553 12.561 -15.685 1.00 64.12 N ATOM 211 CZ ARG A 15 -9.524 13.461 -15.574 1.00 20.05 C ATOM 212 NH1 ARG A 15 -9.449 14.413 -14.655 1.00 53.42 N ATOM 213 NH2 ARG A 15 -10.575 13.409 -16.383 1.00 32.24 N ATOM 0 H ARG A 15 -3.328 13.622 -13.549 1.00 44.05 H new ATOM 0 HA ARG A 15 -4.650 15.519 -15.264 1.00 51.13 H new ATOM 0 HB2 ARG A 15 -5.339 13.376 -13.347 1.00 25.31 H new ATOM 0 HB3 ARG A 15 -6.452 14.729 -13.309 1.00 25.31 H new ATOM 0 HG2 ARG A 15 -6.957 14.487 -15.663 1.00 35.24 H new ATOM 0 HG3 ARG A 15 -5.661 13.329 -15.885 1.00 35.24 H new ATOM 0 HD2 ARG A 15 -6.850 11.592 -14.951 1.00 51.04 H new ATOM 0 HD3 ARG A 15 -7.665 12.623 -13.792 1.00 51.04 H new ATOM 0 HE ARG A 15 -8.643 11.841 -16.402 1.00 64.12 H new ATOM 0 HH11 ARG A 15 -8.644 14.456 -14.030 1.00 53.42 H new ATOM 0 HH12 ARG A 15 -10.196 15.102 -14.573 1.00 53.42 H new ATOM 0 HH21 ARG A 15 -10.638 12.677 -17.091 1.00 32.24 H new ATOM 0 HH22 ARG A 15 -11.320 14.101 -16.297 1.00 32.24 H new ATOM 227 N CYS A 16 -4.109 16.226 -12.098 1.00 12.24 N ATOM 228 CA CYS A 16 -4.114 17.306 -11.117 1.00 2.02 C ATOM 229 C CYS A 16 -3.285 18.488 -11.606 1.00 61.11 C ATOM 230 O CYS A 16 -3.528 19.631 -11.221 1.00 72.51 O ATOM 231 CB CYS A 16 -3.573 16.806 -9.776 1.00 73.42 C ATOM 232 SG CYS A 16 -4.847 16.207 -8.642 1.00 71.50 S ATOM 0 H CYS A 16 -3.674 15.363 -11.773 1.00 12.24 H new ATOM 0 HA CYS A 16 -5.143 17.639 -10.984 1.00 2.02 H new ATOM 0 HB2 CYS A 16 -2.860 16.003 -9.961 1.00 73.42 H new ATOM 0 HB3 CYS A 16 -3.024 17.615 -9.294 1.00 73.42 H new ATOM 0 HG CYS A 16 -4.291 15.804 -7.538 1.00 71.50 H new ATOM 238 N SER A 17 -2.302 18.205 -12.455 1.00 24.31 N ATOM 239 CA SER A 17 -1.433 19.245 -12.992 1.00 4.52 C ATOM 240 C SER A 17 -2.249 20.327 -13.692 1.00 0.41 C ATOM 241 O SER A 17 -1.813 21.472 -13.804 1.00 32.30 O ATOM 242 CB SER A 17 -0.423 18.639 -13.969 1.00 44.31 C ATOM 243 OG SER A 17 0.899 18.760 -13.476 1.00 12.42 O ATOM 0 H SER A 17 -2.088 17.264 -12.786 1.00 24.31 H new ATOM 0 HA SER A 17 -0.896 19.701 -12.161 1.00 4.52 H new ATOM 0 HB2 SER A 17 -0.658 17.588 -14.134 1.00 44.31 H new ATOM 0 HB3 SER A 17 -0.502 19.139 -14.935 1.00 44.31 H new ATOM 0 HG SER A 17 1.525 18.364 -14.118 1.00 12.42 H new ATOM 249 N ASN A 18 -3.434 19.955 -14.162 1.00 33.42 N ATOM 250 CA ASN A 18 -4.313 20.893 -14.851 1.00 44.41 C ATOM 251 C ASN A 18 -5.340 21.484 -13.891 1.00 52.34 C ATOM 252 O ASN A 18 -6.435 21.871 -14.296 1.00 22.15 O ATOM 253 CB ASN A 18 -5.026 20.197 -16.013 1.00 72.45 C ATOM 254 CG ASN A 18 -4.130 20.030 -17.225 1.00 33.53 C ATOM 255 OD1 ASN A 18 -3.916 18.916 -17.703 1.00 52.41 O ATOM 256 ND2 ASN A 18 -3.602 21.139 -17.727 1.00 64.05 N ATOM 0 H ASN A 18 -3.809 19.010 -14.079 1.00 33.42 H new ATOM 0 HA ASN A 18 -3.700 21.705 -15.243 1.00 44.41 H new ATOM 0 HB2 ASN A 18 -5.377 19.218 -15.686 1.00 72.45 H new ATOM 0 HB3 ASN A 18 -5.907 20.774 -16.293 1.00 72.45 H new ATOM 0 HD21 ASN A 18 -2.991 21.089 -18.542 1.00 64.05 H new ATOM 0 HD22 ASN A 18 -3.807 22.041 -17.298 1.00 64.05 H new ATOM 263 N VAL A 19 -4.976 21.553 -12.613 1.00 64.32 N ATOM 264 CA VAL A 19 -5.864 22.099 -11.594 1.00 11.42 C ATOM 265 C VAL A 19 -5.344 23.433 -11.069 1.00 63.12 C ATOM 266 O VAL A 19 -4.167 23.564 -10.736 1.00 14.01 O ATOM 267 CB VAL A 19 -6.028 21.125 -10.413 1.00 33.24 C ATOM 268 CG1 VAL A 19 -6.931 21.726 -9.346 1.00 23.24 C ATOM 269 CG2 VAL A 19 -6.576 19.790 -10.896 1.00 21.54 C ATOM 0 H VAL A 19 -4.073 21.237 -12.260 1.00 64.32 H new ATOM 0 HA VAL A 19 -6.834 22.251 -12.068 1.00 11.42 H new ATOM 0 HB VAL A 19 -5.048 20.951 -9.969 1.00 33.24 H new ATOM 0 HG11 VAL A 19 -7.035 21.023 -8.519 1.00 23.24 H new ATOM 0 HG12 VAL A 19 -6.493 22.655 -8.980 1.00 23.24 H new ATOM 0 HG13 VAL A 19 -7.912 21.931 -9.773 1.00 23.24 H new ATOM 0 HG21 VAL A 19 -6.686 19.114 -10.048 1.00 21.54 H new ATOM 0 HG22 VAL A 19 -7.548 19.944 -11.365 1.00 21.54 H new ATOM 0 HG23 VAL A 19 -5.888 19.355 -11.621 1.00 21.54 H new ATOM 279 N ALA A 20 -6.230 24.420 -10.999 1.00 52.05 N ATOM 280 CA ALA A 20 -5.861 25.744 -10.513 1.00 33.40 C ATOM 281 C ALA A 20 -5.766 25.763 -8.991 1.00 14.34 C ATOM 282 O ALA A 20 -6.778 25.691 -8.294 1.00 23.13 O ATOM 283 CB ALA A 20 -6.866 26.782 -10.993 1.00 11.41 C ATOM 0 H ALA A 20 -7.208 24.328 -11.273 1.00 52.05 H new ATOM 0 HA ALA A 20 -4.879 25.991 -10.916 1.00 33.40 H new ATOM 0 HB1 ALA A 20 -6.578 27.766 -10.623 1.00 11.41 H new ATOM 0 HB2 ALA A 20 -6.883 26.795 -12.083 1.00 11.41 H new ATOM 0 HB3 ALA A 20 -7.858 26.529 -10.618 1.00 11.41 H new ATOM 289 N VAL A 21 -4.541 25.859 -8.481 1.00 22.44 N ATOM 290 CA VAL A 21 -4.314 25.887 -7.041 1.00 40.41 C ATOM 291 C VAL A 21 -4.670 27.248 -6.455 1.00 21.24 C ATOM 292 O VAL A 21 -5.012 27.358 -5.278 1.00 33.30 O ATOM 293 CB VAL A 21 -2.848 25.561 -6.699 1.00 1.22 C ATOM 294 CG1 VAL A 21 -1.904 26.473 -7.468 1.00 41.21 C ATOM 295 CG2 VAL A 21 -2.613 25.679 -5.201 1.00 12.40 C ATOM 0 H VAL A 21 -3.692 25.919 -9.043 1.00 22.44 H new ATOM 0 HA VAL A 21 -4.960 25.126 -6.603 1.00 40.41 H new ATOM 0 HB VAL A 21 -2.643 24.533 -6.997 1.00 1.22 H new ATOM 0 HG11 VAL A 21 -0.873 26.228 -7.213 1.00 41.21 H new ATOM 0 HG12 VAL A 21 -2.056 26.335 -8.538 1.00 41.21 H new ATOM 0 HG13 VAL A 21 -2.106 27.511 -7.204 1.00 41.21 H new ATOM 0 HG21 VAL A 21 -1.572 25.445 -4.976 1.00 12.40 H new ATOM 0 HG22 VAL A 21 -2.835 26.696 -4.877 1.00 12.40 H new ATOM 0 HG23 VAL A 21 -3.263 24.980 -4.675 1.00 12.40 H new ATOM 305 N GLY A 22 -4.589 28.284 -7.285 1.00 31.41 N ATOM 306 CA GLY A 22 -4.908 29.625 -6.830 1.00 62.20 C ATOM 307 C GLY A 22 -3.942 30.124 -5.774 1.00 21.21 C ATOM 308 O GLY A 22 -3.137 29.355 -5.246 1.00 60.04 O ATOM 0 H GLY A 22 -4.308 28.219 -8.263 1.00 31.41 H new ATOM 0 HA2 GLY A 22 -4.895 30.307 -7.681 1.00 62.20 H new ATOM 0 HA3 GLY A 22 -5.921 29.637 -6.427 1.00 62.20 H new ATOM 312 N VAL A 23 -4.020 31.414 -5.465 1.00 3.32 N ATOM 313 CA VAL A 23 -3.145 32.015 -4.465 1.00 34.43 C ATOM 314 C VAL A 23 -3.498 33.480 -4.235 1.00 3.14 C ATOM 315 O VAL A 23 -3.414 33.982 -3.115 1.00 40.40 O ATOM 316 CB VAL A 23 -1.666 31.913 -4.880 1.00 60.15 C ATOM 317 CG1 VAL A 23 -1.450 32.544 -6.248 1.00 1.01 C ATOM 318 CG2 VAL A 23 -0.774 32.568 -3.836 1.00 72.24 C ATOM 0 H VAL A 23 -4.680 32.063 -5.893 1.00 3.32 H new ATOM 0 HA VAL A 23 -3.294 31.459 -3.539 1.00 34.43 H new ATOM 0 HB VAL A 23 -1.397 30.859 -4.946 1.00 60.15 H new ATOM 0 HG11 VAL A 23 -0.399 32.462 -6.524 1.00 1.01 H new ATOM 0 HG12 VAL A 23 -2.061 32.027 -6.988 1.00 1.01 H new ATOM 0 HG13 VAL A 23 -1.735 33.595 -6.213 1.00 1.01 H new ATOM 0 HG21 VAL A 23 0.268 32.487 -4.145 1.00 72.24 H new ATOM 0 HG22 VAL A 23 -1.042 33.620 -3.737 1.00 72.24 H new ATOM 0 HG23 VAL A 23 -0.908 32.067 -2.877 1.00 72.24 H new ATOM 328 N GLY A 24 -3.896 34.162 -5.305 1.00 21.54 N ATOM 329 CA GLY A 24 -4.257 35.564 -5.199 1.00 51.02 C ATOM 330 C GLY A 24 -4.110 36.301 -6.514 1.00 24.30 C ATOM 331 O GLY A 24 -5.008 37.037 -6.925 1.00 72.00 O ATOM 0 H GLY A 24 -3.975 33.769 -6.243 1.00 21.54 H new ATOM 0 HA2 GLY A 24 -5.288 35.646 -4.854 1.00 51.02 H new ATOM 0 HA3 GLY A 24 -3.630 36.042 -4.446 1.00 51.02 H new ATOM 335 N GLY A 25 -2.975 36.106 -7.178 1.00 73.14 N ATOM 336 CA GLY A 25 -2.734 36.767 -8.448 1.00 54.11 C ATOM 337 C GLY A 25 -2.034 35.866 -9.446 1.00 61.34 C ATOM 338 O GLY A 25 -1.423 34.867 -9.070 1.00 15.33 O ATOM 0 H GLY A 25 -2.218 35.502 -6.859 1.00 73.14 H new ATOM 0 HA2 GLY A 25 -3.684 37.100 -8.867 1.00 54.11 H new ATOM 0 HA3 GLY A 25 -2.129 37.658 -8.281 1.00 54.11 H new ATOM 342 N LYS A 26 -2.125 36.220 -10.724 1.00 31.11 N ATOM 343 CA LYS A 26 -1.497 35.437 -11.781 1.00 61.24 C ATOM 344 C LYS A 26 -2.087 34.031 -11.841 1.00 45.25 C ATOM 345 O LYS A 26 -3.091 33.741 -11.192 1.00 32.13 O ATOM 346 CB LYS A 26 0.015 35.359 -11.555 1.00 24.24 C ATOM 347 CG LYS A 26 0.833 35.773 -12.766 1.00 23.22 C ATOM 348 CD LYS A 26 1.568 37.080 -12.521 1.00 54.03 C ATOM 349 CE LYS A 26 2.582 37.363 -13.618 1.00 63.02 C ATOM 350 NZ LYS A 26 3.912 36.768 -13.313 1.00 71.12 N ATOM 0 H LYS A 26 -2.628 37.044 -11.052 1.00 31.11 H new ATOM 0 HA LYS A 26 -1.691 35.933 -12.732 1.00 61.24 H new ATOM 0 HB2 LYS A 26 0.281 35.997 -10.712 1.00 24.24 H new ATOM 0 HB3 LYS A 26 0.281 34.338 -11.279 1.00 24.24 H new ATOM 0 HG2 LYS A 26 1.552 34.990 -13.006 1.00 23.22 H new ATOM 0 HG3 LYS A 26 0.177 35.880 -13.630 1.00 23.22 H new ATOM 0 HD2 LYS A 26 0.850 37.898 -12.468 1.00 54.03 H new ATOM 0 HD3 LYS A 26 2.075 37.038 -11.557 1.00 54.03 H new ATOM 0 HE2 LYS A 26 2.214 36.964 -14.564 1.00 63.02 H new ATOM 0 HE3 LYS A 26 2.687 38.440 -13.746 1.00 63.02 H new ATOM 0 HZ1 LYS A 26 4.574 36.984 -14.085 1.00 71.12 H new ATOM 0 HZ2 LYS A 26 4.275 37.167 -12.424 1.00 71.12 H new ATOM 0 HZ3 LYS A 26 3.817 35.737 -13.216 1.00 71.12 H new ATOM 364 N SER A 27 -1.455 33.163 -12.624 1.00 2.05 N ATOM 365 CA SER A 27 -1.918 31.788 -12.771 1.00 33.34 C ATOM 366 C SER A 27 -0.978 30.819 -12.061 1.00 44.24 C ATOM 367 O SER A 27 0.221 31.074 -11.941 1.00 71.42 O ATOM 368 CB SER A 27 -2.028 31.419 -14.251 1.00 42.01 C ATOM 369 OG SER A 27 -2.248 32.569 -15.048 1.00 64.54 O ATOM 0 H SER A 27 -0.621 33.387 -13.166 1.00 2.05 H new ATOM 0 HA SER A 27 -2.904 31.712 -12.312 1.00 33.34 H new ATOM 0 HB2 SER A 27 -1.115 30.919 -14.573 1.00 42.01 H new ATOM 0 HB3 SER A 27 -2.846 30.712 -14.393 1.00 42.01 H new ATOM 0 HG SER A 27 -2.313 32.307 -15.990 1.00 64.54 H new ATOM 375 N LYS A 28 -1.529 29.704 -11.593 1.00 20.41 N ATOM 376 CA LYS A 28 -0.742 28.694 -10.897 1.00 63.00 C ATOM 377 C LYS A 28 -1.483 27.361 -10.854 1.00 43.30 C ATOM 378 O LYS A 28 -2.605 27.279 -10.356 1.00 21.43 O ATOM 379 CB LYS A 28 -0.424 29.158 -9.474 1.00 40.50 C ATOM 380 CG LYS A 28 0.870 28.585 -8.922 1.00 42.40 C ATOM 381 CD LYS A 28 2.050 29.502 -9.202 1.00 74.31 C ATOM 382 CE LYS A 28 3.305 29.029 -8.485 1.00 31.03 C ATOM 383 NZ LYS A 28 4.457 29.944 -8.720 1.00 22.34 N ATOM 0 H LYS A 28 -2.519 29.477 -11.684 1.00 20.41 H new ATOM 0 HA LYS A 28 0.190 28.554 -11.445 1.00 63.00 H new ATOM 0 HB2 LYS A 28 -0.364 30.246 -9.461 1.00 40.50 H new ATOM 0 HB3 LYS A 28 -1.246 28.876 -8.817 1.00 40.50 H new ATOM 0 HG2 LYS A 28 0.773 28.434 -7.847 1.00 42.40 H new ATOM 0 HG3 LYS A 28 1.055 27.607 -9.366 1.00 42.40 H new ATOM 0 HD2 LYS A 28 2.236 29.541 -10.275 1.00 74.31 H new ATOM 0 HD3 LYS A 28 1.808 30.516 -8.884 1.00 74.31 H new ATOM 0 HE2 LYS A 28 3.108 28.961 -7.415 1.00 31.03 H new ATOM 0 HE3 LYS A 28 3.562 28.026 -8.826 1.00 31.03 H new ATOM 0 HZ1 LYS A 28 5.293 29.587 -8.215 1.00 22.34 H new ATOM 0 HZ2 LYS A 28 4.662 29.990 -9.739 1.00 22.34 H new ATOM 0 HZ3 LYS A 28 4.222 30.895 -8.371 1.00 22.34 H new ATOM 397 N LYS A 29 -0.846 26.319 -11.378 1.00 71.11 N ATOM 398 CA LYS A 29 -1.442 24.989 -11.397 1.00 22.44 C ATOM 399 C LYS A 29 -0.724 24.057 -10.427 1.00 24.24 C ATOM 400 O LYS A 29 0.337 24.390 -9.900 1.00 43.34 O ATOM 401 CB LYS A 29 -1.394 24.407 -12.811 1.00 5.22 C ATOM 402 CG LYS A 29 -0.007 23.954 -13.235 1.00 45.24 C ATOM 403 CD LYS A 29 0.157 23.997 -14.746 1.00 74.54 C ATOM 404 CE LYS A 29 0.589 25.377 -15.221 1.00 52.03 C ATOM 405 NZ LYS A 29 1.264 25.321 -16.547 1.00 15.53 N ATOM 0 H LYS A 29 0.083 26.370 -11.795 1.00 71.11 H new ATOM 0 HA LYS A 29 -2.482 25.079 -11.083 1.00 22.44 H new ATOM 0 HB2 LYS A 29 -2.078 23.560 -12.870 1.00 5.22 H new ATOM 0 HB3 LYS A 29 -1.754 25.157 -13.516 1.00 5.22 H new ATOM 0 HG2 LYS A 29 0.743 24.592 -12.768 1.00 45.24 H new ATOM 0 HG3 LYS A 29 0.170 22.940 -12.878 1.00 45.24 H new ATOM 0 HD2 LYS A 29 0.896 23.257 -15.054 1.00 74.54 H new ATOM 0 HD3 LYS A 29 -0.785 23.725 -15.223 1.00 74.54 H new ATOM 0 HE2 LYS A 29 -0.283 26.029 -15.284 1.00 52.03 H new ATOM 0 HE3 LYS A 29 1.264 25.818 -14.488 1.00 52.03 H new ATOM 0 HZ1 LYS A 29 1.543 26.281 -16.835 1.00 15.53 H new ATOM 0 HZ2 LYS A 29 2.110 24.720 -16.481 1.00 15.53 H new ATOM 0 HZ3 LYS A 29 0.611 24.923 -17.252 1.00 15.53 H new ATOM 419 N PHE A 30 -1.309 22.886 -10.197 1.00 15.12 N ATOM 420 CA PHE A 30 -0.724 21.904 -9.290 1.00 73.55 C ATOM 421 C PHE A 30 0.595 21.371 -9.841 1.00 64.44 C ATOM 422 O PHE A 30 1.041 21.778 -10.914 1.00 73.55 O ATOM 423 CB PHE A 30 -1.698 20.747 -9.059 1.00 63.11 C ATOM 424 CG PHE A 30 -1.945 20.451 -7.608 1.00 10.25 C ATOM 425 CD1 PHE A 30 -2.723 21.298 -6.836 1.00 63.23 C ATOM 426 CD2 PHE A 30 -1.398 19.324 -7.015 1.00 51.04 C ATOM 427 CE1 PHE A 30 -2.952 21.028 -5.501 1.00 32.10 C ATOM 428 CE2 PHE A 30 -1.623 19.049 -5.680 1.00 74.11 C ATOM 429 CZ PHE A 30 -2.401 19.902 -4.921 1.00 62.13 C ATOM 0 H PHE A 30 -2.187 22.594 -10.626 1.00 15.12 H new ATOM 0 HA PHE A 30 -0.526 22.399 -8.339 1.00 73.55 H new ATOM 0 HB2 PHE A 30 -2.648 20.981 -9.540 1.00 63.11 H new ATOM 0 HB3 PHE A 30 -1.307 19.852 -9.543 1.00 63.11 H new ATOM 0 HD1 PHE A 30 -3.156 22.180 -7.284 1.00 63.23 H new ATOM 0 HD2 PHE A 30 -0.789 18.653 -7.603 1.00 51.04 H new ATOM 0 HE1 PHE A 30 -3.561 21.697 -4.911 1.00 32.10 H new ATOM 0 HE2 PHE A 30 -1.191 18.168 -5.230 1.00 74.11 H new ATOM 0 HZ PHE A 30 -2.578 19.689 -3.877 1.00 62.13 H new ATOM 439 N GLY A 31 1.215 20.459 -9.100 1.00 71.11 N ATOM 440 CA GLY A 31 2.476 19.886 -9.530 1.00 21.03 C ATOM 441 C GLY A 31 2.921 18.735 -8.649 1.00 12.21 C ATOM 442 O GLY A 31 2.353 18.508 -7.582 1.00 13.30 O ATOM 0 H GLY A 31 0.866 20.106 -8.209 1.00 71.11 H new ATOM 0 HA2 GLY A 31 2.381 19.537 -10.558 1.00 21.03 H new ATOM 0 HA3 GLY A 31 3.243 20.660 -9.526 1.00 21.03 H new ATOM 446 N GLU A 32 3.938 18.007 -9.098 1.00 30.10 N ATOM 447 CA GLU A 32 4.457 16.872 -8.343 1.00 31.53 C ATOM 448 C GLU A 32 5.166 17.340 -7.076 1.00 12.33 C ATOM 449 O GLU A 32 4.988 16.764 -6.003 1.00 62.23 O ATOM 450 CB GLU A 32 5.417 16.052 -9.207 1.00 74.13 C ATOM 451 CG GLU A 32 6.566 16.865 -9.778 1.00 52.35 C ATOM 452 CD GLU A 32 6.948 16.431 -11.180 1.00 13.54 C ATOM 453 OE1 GLU A 32 6.197 16.749 -12.125 1.00 34.43 O ATOM 454 OE2 GLU A 32 7.998 15.772 -11.332 1.00 40.11 O ATOM 0 H GLU A 32 4.419 18.182 -9.980 1.00 30.10 H new ATOM 0 HA GLU A 32 3.614 16.244 -8.055 1.00 31.53 H new ATOM 0 HB2 GLU A 32 5.822 15.235 -8.610 1.00 74.13 H new ATOM 0 HB3 GLU A 32 4.859 15.601 -10.028 1.00 74.13 H new ATOM 0 HG2 GLU A 32 6.289 17.919 -9.791 1.00 52.35 H new ATOM 0 HG3 GLU A 32 7.433 16.771 -9.124 1.00 52.35 H new ATOM 461 N GLY A 33 5.973 18.388 -7.210 1.00 54.21 N ATOM 462 CA GLY A 33 6.699 18.915 -6.069 1.00 73.53 C ATOM 463 C GLY A 33 5.777 19.373 -4.956 1.00 41.24 C ATOM 464 O GLY A 33 5.975 19.024 -3.794 1.00 53.35 O ATOM 0 H GLY A 33 6.137 18.881 -8.088 1.00 54.21 H new ATOM 0 HA2 GLY A 33 7.373 18.149 -5.686 1.00 73.53 H new ATOM 0 HA3 GLY A 33 7.318 19.752 -6.391 1.00 73.53 H new ATOM 468 N ASN A 34 4.766 20.159 -5.314 1.00 55.35 N ATOM 469 CA ASN A 34 3.811 20.667 -4.336 1.00 61.34 C ATOM 470 C ASN A 34 3.032 19.526 -3.692 1.00 31.13 C ATOM 471 O ASN A 34 2.746 19.552 -2.494 1.00 53.21 O ATOM 472 CB ASN A 34 2.844 21.649 -5.000 1.00 51.13 C ATOM 473 CG ASN A 34 3.190 23.095 -4.699 1.00 30.31 C ATOM 474 OD1 ASN A 34 2.786 23.640 -3.671 1.00 62.30 O ATOM 475 ND2 ASN A 34 3.941 23.723 -5.596 1.00 31.52 N ATOM 0 H ASN A 34 4.587 20.457 -6.273 1.00 55.35 H new ATOM 0 HA ASN A 34 4.369 21.187 -3.557 1.00 61.34 H new ATOM 0 HB2 ASN A 34 2.856 21.493 -6.079 1.00 51.13 H new ATOM 0 HB3 ASN A 34 1.830 21.442 -4.659 1.00 51.13 H new ATOM 0 HD21 ASN A 34 4.206 24.697 -5.447 1.00 31.52 H new ATOM 0 HD22 ASN A 34 4.253 23.232 -6.434 1.00 31.52 H new ATOM 482 N PHE A 35 2.690 18.523 -4.494 1.00 51.30 N ATOM 483 CA PHE A 35 1.943 17.371 -4.003 1.00 52.40 C ATOM 484 C PHE A 35 2.697 16.676 -2.873 1.00 42.10 C ATOM 485 O PHE A 35 2.105 16.285 -1.867 1.00 10.14 O ATOM 486 CB PHE A 35 1.683 16.383 -5.141 1.00 21.12 C ATOM 487 CG PHE A 35 1.147 15.059 -4.675 1.00 51.34 C ATOM 488 CD1 PHE A 35 0.140 15.000 -3.725 1.00 60.30 C ATOM 489 CD2 PHE A 35 1.652 13.874 -5.186 1.00 33.32 C ATOM 490 CE1 PHE A 35 -0.356 13.784 -3.294 1.00 1.54 C ATOM 491 CE2 PHE A 35 1.159 12.654 -4.759 1.00 61.14 C ATOM 492 CZ PHE A 35 0.156 12.609 -3.811 1.00 43.13 C ATOM 0 H PHE A 35 2.918 18.485 -5.487 1.00 51.30 H new ATOM 0 HA PHE A 35 0.989 17.726 -3.615 1.00 52.40 H new ATOM 0 HB2 PHE A 35 0.975 16.826 -5.842 1.00 21.12 H new ATOM 0 HB3 PHE A 35 2.612 16.218 -5.687 1.00 21.12 H new ATOM 0 HD1 PHE A 35 -0.262 15.915 -3.316 1.00 60.30 H new ATOM 0 HD2 PHE A 35 2.439 13.903 -5.925 1.00 33.32 H new ATOM 0 HE1 PHE A 35 -1.142 13.752 -2.554 1.00 1.54 H new ATOM 0 HE2 PHE A 35 1.558 11.737 -5.167 1.00 61.14 H new ATOM 0 HZ PHE A 35 -0.228 11.657 -3.474 1.00 43.13 H new ATOM 502 N ARG A 36 4.006 16.525 -3.048 1.00 72.34 N ATOM 503 CA ARG A 36 4.841 15.876 -2.044 1.00 24.51 C ATOM 504 C ARG A 36 4.880 16.695 -0.757 1.00 2.00 C ATOM 505 O ARG A 36 4.589 16.184 0.324 1.00 11.24 O ATOM 506 CB ARG A 36 6.260 15.681 -2.580 1.00 3.34 C ATOM 507 CG ARG A 36 6.306 15.143 -4.000 1.00 5.25 C ATOM 508 CD ARG A 36 7.200 13.916 -4.104 1.00 55.23 C ATOM 509 NE ARG A 36 7.943 13.884 -5.361 1.00 65.35 N ATOM 510 CZ ARG A 36 8.762 12.898 -5.706 1.00 60.53 C ATOM 511 NH1 ARG A 36 8.943 11.867 -4.892 1.00 73.43 N ATOM 512 NH2 ARG A 36 9.402 12.941 -6.867 1.00 13.21 N ATOM 0 H ARG A 36 4.511 16.843 -3.875 1.00 72.34 H new ATOM 0 HA ARG A 36 4.407 14.902 -1.821 1.00 24.51 H new ATOM 0 HB2 ARG A 36 6.787 16.635 -2.545 1.00 3.34 H new ATOM 0 HB3 ARG A 36 6.796 14.996 -1.923 1.00 3.34 H new ATOM 0 HG2 ARG A 36 5.298 14.888 -4.326 1.00 5.25 H new ATOM 0 HG3 ARG A 36 6.672 15.919 -4.672 1.00 5.25 H new ATOM 0 HD2 ARG A 36 7.900 13.906 -3.269 1.00 55.23 H new ATOM 0 HD3 ARG A 36 6.591 13.016 -4.020 1.00 55.23 H new ATOM 0 HE ARG A 36 7.826 14.662 -6.010 1.00 65.35 H new ATOM 0 HH11 ARG A 36 8.452 11.830 -3.999 1.00 73.43 H new ATOM 0 HH12 ARG A 36 9.573 11.111 -5.159 1.00 73.43 H new ATOM 0 HH21 ARG A 36 9.265 13.732 -7.496 1.00 13.21 H new ATOM 0 HH22 ARG A 36 10.031 12.183 -7.131 1.00 13.21 H new ATOM 526 N TRP A 37 5.242 17.966 -0.882 1.00 71.55 N ATOM 527 CA TRP A 37 5.319 18.855 0.272 1.00 65.22 C ATOM 528 C TRP A 37 4.015 18.836 1.063 1.00 40.23 C ATOM 529 O TRP A 37 4.016 19.010 2.281 1.00 2.05 O ATOM 530 CB TRP A 37 5.637 20.282 -0.178 1.00 23.42 C ATOM 531 CG TRP A 37 5.417 21.306 0.894 1.00 63.45 C ATOM 532 CD1 TRP A 37 6.366 21.860 1.705 1.00 43.34 C ATOM 533 CD2 TRP A 37 4.169 21.896 1.273 1.00 64.21 C ATOM 534 NE1 TRP A 37 5.783 22.759 2.565 1.00 71.12 N ATOM 535 CE2 TRP A 37 4.436 22.800 2.319 1.00 52.22 C ATOM 536 CE3 TRP A 37 2.852 21.750 0.829 1.00 70.45 C ATOM 537 CZ2 TRP A 37 3.433 23.552 2.927 1.00 55.44 C ATOM 538 CZ3 TRP A 37 1.859 22.497 1.433 1.00 61.20 C ATOM 539 CH2 TRP A 37 2.154 23.390 2.473 1.00 23.42 C ATOM 0 H TRP A 37 5.487 18.405 -1.770 1.00 71.55 H new ATOM 0 HA TRP A 37 6.120 18.499 0.920 1.00 65.22 H new ATOM 0 HB2 TRP A 37 6.675 20.329 -0.507 1.00 23.42 H new ATOM 0 HB3 TRP A 37 5.018 20.530 -1.040 1.00 23.42 H new ATOM 0 HD1 TRP A 37 7.420 21.626 1.675 1.00 43.34 H new ATOM 0 HE1 TRP A 37 6.273 23.307 3.272 1.00 71.12 H new ATOM 0 HE3 TRP A 37 2.615 21.065 0.028 1.00 70.45 H new ATOM 0 HZ2 TRP A 37 3.658 24.239 3.729 1.00 55.44 H new ATOM 0 HZ3 TRP A 37 0.838 22.391 1.098 1.00 61.20 H new ATOM 0 HH2 TRP A 37 1.356 23.961 2.924 1.00 23.42 H new ATOM 550 N ALA A 38 2.906 18.624 0.361 1.00 75.25 N ATOM 551 CA ALA A 38 1.596 18.580 1.000 1.00 52.34 C ATOM 552 C ALA A 38 1.323 17.205 1.598 1.00 62.23 C ATOM 553 O ALA A 38 1.197 17.061 2.815 1.00 24.22 O ATOM 554 CB ALA A 38 0.510 18.949 0.000 1.00 53.34 C ATOM 0 H ALA A 38 2.889 18.480 -0.649 1.00 75.25 H new ATOM 0 HA ALA A 38 1.590 19.307 1.812 1.00 52.34 H new ATOM 0 HB1 ALA A 38 -0.463 18.912 0.490 1.00 53.34 H new ATOM 0 HB2 ALA A 38 0.689 19.956 -0.376 1.00 53.34 H new ATOM 0 HB3 ALA A 38 0.525 18.243 -0.830 1.00 53.34 H new ATOM 560 N ILE A 39 1.231 16.197 0.737 1.00 42.35 N ATOM 561 CA ILE A 39 0.973 14.834 1.181 1.00 2.23 C ATOM 562 C ILE A 39 1.920 14.434 2.307 1.00 53.41 C ATOM 563 O ILE A 39 1.552 13.670 3.200 1.00 45.20 O ATOM 564 CB ILE A 39 1.116 13.828 0.023 1.00 42.25 C ATOM 565 CG1 ILE A 39 0.609 12.449 0.452 1.00 44.11 C ATOM 566 CG2 ILE A 39 2.566 13.747 -0.432 1.00 13.00 C ATOM 567 CD1 ILE A 39 -0.326 11.811 -0.552 1.00 72.32 C ATOM 0 H ILE A 39 1.332 16.299 -0.273 1.00 42.35 H new ATOM 0 HA ILE A 39 -0.053 14.810 1.547 1.00 2.23 H new ATOM 0 HB ILE A 39 0.511 14.173 -0.816 1.00 42.25 H new ATOM 0 HG12 ILE A 39 1.463 11.790 0.611 1.00 44.11 H new ATOM 0 HG13 ILE A 39 0.094 12.541 1.408 1.00 44.11 H new ATOM 0 HG21 ILE A 39 2.651 13.032 -1.251 1.00 13.00 H new ATOM 0 HG22 ILE A 39 2.896 14.729 -0.772 1.00 13.00 H new ATOM 0 HG23 ILE A 39 3.191 13.422 0.400 1.00 13.00 H new ATOM 0 HD11 ILE A 39 -0.646 10.837 -0.183 1.00 72.32 H new ATOM 0 HD12 ILE A 39 -1.198 12.449 -0.694 1.00 72.32 H new ATOM 0 HD13 ILE A 39 0.191 11.687 -1.503 1.00 72.32 H new ATOM 579 N ARG A 40 3.141 14.958 2.260 1.00 32.04 N ATOM 580 CA ARG A 40 4.141 14.655 3.278 1.00 44.33 C ATOM 581 C ARG A 40 3.873 15.445 4.555 1.00 60.23 C ATOM 582 O ARG A 40 3.740 14.870 5.635 1.00 12.51 O ATOM 583 CB ARG A 40 5.544 14.974 2.754 1.00 32.44 C ATOM 584 CG ARG A 40 6.652 14.620 3.731 1.00 50.52 C ATOM 585 CD ARG A 40 7.560 13.533 3.175 1.00 33.32 C ATOM 586 NE ARG A 40 8.896 13.582 3.763 1.00 44.22 N ATOM 587 CZ ARG A 40 9.799 14.507 3.457 1.00 42.50 C ATOM 588 NH1 ARG A 40 9.512 15.454 2.575 1.00 22.23 N ATOM 589 NH2 ARG A 40 10.994 14.485 4.033 1.00 72.22 N ATOM 0 H ARG A 40 3.461 15.593 1.529 1.00 32.04 H new ATOM 0 HA ARG A 40 4.078 13.592 3.509 1.00 44.33 H new ATOM 0 HB2 ARG A 40 5.706 14.433 1.822 1.00 32.44 H new ATOM 0 HB3 ARG A 40 5.603 16.037 2.520 1.00 32.44 H new ATOM 0 HG2 ARG A 40 7.241 15.510 3.952 1.00 50.52 H new ATOM 0 HG3 ARG A 40 6.215 14.285 4.672 1.00 50.52 H new ATOM 0 HD2 ARG A 40 7.115 12.556 3.366 1.00 33.32 H new ATOM 0 HD3 ARG A 40 7.636 13.642 2.093 1.00 33.32 H new ATOM 0 HE ARG A 40 9.149 12.867 4.445 1.00 44.22 H new ATOM 0 HH11 ARG A 40 8.595 15.474 2.129 1.00 22.23 H new ATOM 0 HH12 ARG A 40 10.208 16.162 2.343 1.00 22.23 H new ATOM 0 HH21 ARG A 40 11.220 13.757 4.711 1.00 72.22 H new ATOM 0 HH22 ARG A 40 11.687 15.196 3.797 1.00 72.22 H new ATOM 603 N MET A 41 3.794 16.765 4.424 1.00 64.12 N ATOM 604 CA MET A 41 3.541 17.633 5.567 1.00 35.53 C ATOM 605 C MET A 41 2.270 17.210 6.299 1.00 54.32 C ATOM 606 O MET A 41 2.186 17.310 7.523 1.00 22.41 O ATOM 607 CB MET A 41 3.421 19.089 5.114 1.00 25.13 C ATOM 608 CG MET A 41 3.217 20.068 6.259 1.00 61.30 C ATOM 609 SD MET A 41 4.166 21.587 6.052 1.00 22.41 S ATOM 610 CE MET A 41 4.753 21.849 7.724 1.00 63.21 C ATOM 0 H MET A 41 3.902 17.257 3.537 1.00 64.12 H new ATOM 0 HA MET A 41 4.383 17.543 6.253 1.00 35.53 H new ATOM 0 HB2 MET A 41 4.322 19.366 4.567 1.00 25.13 H new ATOM 0 HB3 MET A 41 2.586 19.177 4.419 1.00 25.13 H new ATOM 0 HG2 MET A 41 2.158 20.314 6.337 1.00 61.30 H new ATOM 0 HG3 MET A 41 3.503 19.590 7.196 1.00 61.30 H new ATOM 0 HE1 MET A 41 5.358 22.755 7.759 1.00 63.21 H new ATOM 0 HE2 MET A 41 3.901 21.955 8.396 1.00 63.21 H new ATOM 0 HE3 MET A 41 5.357 20.997 8.035 1.00 63.21 H new ATOM 620 N ALA A 42 1.285 16.740 5.542 1.00 51.30 N ATOM 621 CA ALA A 42 0.021 16.300 6.119 1.00 72.43 C ATOM 622 C ALA A 42 0.185 14.978 6.860 1.00 23.52 C ATOM 623 O ALA A 42 -0.280 14.825 7.988 1.00 72.15 O ATOM 624 CB ALA A 42 -1.039 16.172 5.034 1.00 52.31 C ATOM 0 H ALA A 42 1.338 16.654 4.527 1.00 51.30 H new ATOM 0 HA ALA A 42 -0.301 17.052 6.840 1.00 72.43 H new ATOM 0 HB1 ALA A 42 -1.978 15.843 5.479 1.00 52.31 H new ATOM 0 HB2 ALA A 42 -1.185 17.139 4.553 1.00 52.31 H new ATOM 0 HB3 ALA A 42 -0.714 15.443 4.292 1.00 52.31 H new ATOM 630 N ASN A 43 0.849 14.023 6.216 1.00 60.32 N ATOM 631 CA ASN A 43 1.073 12.712 6.815 1.00 44.12 C ATOM 632 C ASN A 43 1.870 12.834 8.110 1.00 60.43 C ATOM 633 O ASN A 43 1.462 12.323 9.153 1.00 25.43 O ATOM 634 CB ASN A 43 1.812 11.800 5.833 1.00 63.23 C ATOM 635 CG ASN A 43 1.525 10.332 6.079 1.00 20.23 C ATOM 636 OD1 ASN A 43 0.462 9.972 6.585 1.00 72.40 O ATOM 637 ND2 ASN A 43 2.475 9.476 5.723 1.00 5.23 N ATOM 0 H ASN A 43 1.241 14.132 5.281 1.00 60.32 H new ATOM 0 HA ASN A 43 0.102 12.275 7.047 1.00 44.12 H new ATOM 0 HB2 ASN A 43 1.523 12.058 4.814 1.00 63.23 H new ATOM 0 HB3 ASN A 43 2.885 11.976 5.915 1.00 63.23 H new ATOM 0 HD21 ASN A 43 2.339 8.475 5.866 1.00 5.23 H new ATOM 0 HD22 ASN A 43 3.341 9.819 5.307 1.00 5.23 H new ATOM 644 N VAL A 44 3.008 13.516 8.036 1.00 12.40 N ATOM 645 CA VAL A 44 3.862 13.707 9.202 1.00 12.41 C ATOM 646 C VAL A 44 3.140 14.496 10.289 1.00 5.34 C ATOM 647 O VAL A 44 3.328 14.247 11.480 1.00 1.33 O ATOM 648 CB VAL A 44 5.165 14.440 8.831 1.00 62.44 C ATOM 649 CG1 VAL A 44 6.064 14.583 10.049 1.00 3.32 C ATOM 650 CG2 VAL A 44 5.886 13.710 7.707 1.00 73.41 C ATOM 0 H VAL A 44 3.360 13.946 7.181 1.00 12.40 H new ATOM 0 HA VAL A 44 4.108 12.714 9.579 1.00 12.41 H new ATOM 0 HB VAL A 44 4.911 15.440 8.479 1.00 62.44 H new ATOM 0 HG11 VAL A 44 6.979 15.103 9.767 1.00 3.32 H new ATOM 0 HG12 VAL A 44 5.545 15.154 10.819 1.00 3.32 H new ATOM 0 HG13 VAL A 44 6.313 13.595 10.436 1.00 3.32 H new ATOM 0 HG21 VAL A 44 6.804 14.242 7.458 1.00 73.41 H new ATOM 0 HG22 VAL A 44 6.129 12.697 8.028 1.00 73.41 H new ATOM 0 HG23 VAL A 44 5.242 13.667 6.829 1.00 73.41 H new ATOM 660 N SER A 45 2.311 15.446 9.870 1.00 51.15 N ATOM 661 CA SER A 45 1.562 16.274 10.807 1.00 73.54 C ATOM 662 C SER A 45 0.611 15.424 11.644 1.00 22.13 C ATOM 663 O SER A 45 0.240 15.797 12.758 1.00 4.51 O ATOM 664 CB SER A 45 0.774 17.349 10.055 1.00 52.13 C ATOM 665 OG SER A 45 1.588 18.474 9.775 1.00 24.30 O ATOM 0 H SER A 45 2.141 15.661 8.888 1.00 51.15 H new ATOM 0 HA SER A 45 2.275 16.757 11.476 1.00 73.54 H new ATOM 0 HB2 SER A 45 0.386 16.936 9.124 1.00 52.13 H new ATOM 0 HB3 SER A 45 -0.086 17.657 10.650 1.00 52.13 H new ATOM 0 HG SER A 45 1.824 18.479 8.824 1.00 24.30 H new ATOM 671 N THR A 46 0.220 14.276 11.099 1.00 35.05 N ATOM 672 CA THR A 46 -0.688 13.370 11.794 1.00 62.13 C ATOM 673 C THR A 46 0.075 12.239 12.472 1.00 24.14 C ATOM 674 O THR A 46 -0.451 11.141 12.649 1.00 11.13 O ATOM 675 CB THR A 46 -1.727 12.769 10.829 1.00 3.24 C ATOM 676 OG1 THR A 46 -1.098 12.408 9.593 1.00 73.14 O ATOM 677 CG2 THR A 46 -2.854 13.756 10.561 1.00 11.43 C ATOM 0 H THR A 46 0.517 13.951 10.179 1.00 35.05 H new ATOM 0 HA THR A 46 -1.205 13.959 12.552 1.00 62.13 H new ATOM 0 HB THR A 46 -2.149 11.879 11.295 1.00 3.24 H new ATOM 0 HG1 THR A 46 -0.189 12.087 9.770 1.00 73.14 H new ATOM 0 HG21 THR A 46 -3.575 13.308 9.877 1.00 11.43 H new ATOM 0 HG22 THR A 46 -3.350 14.005 11.499 1.00 11.43 H new ATOM 0 HG23 THR A 46 -2.445 14.663 10.115 1.00 11.43 H new ATOM 685 N GLY A 47 1.320 12.513 12.849 1.00 4.21 N ATOM 686 CA GLY A 47 2.135 11.507 13.504 1.00 50.52 C ATOM 687 C GLY A 47 2.215 10.218 12.710 1.00 52.12 C ATOM 688 O GLY A 47 2.427 9.146 13.275 1.00 10.33 O ATOM 0 H GLY A 47 1.779 13.414 12.712 1.00 4.21 H new ATOM 0 HA2 GLY A 47 3.140 11.900 13.655 1.00 50.52 H new ATOM 0 HA3 GLY A 47 1.724 11.297 14.491 1.00 50.52 H new ATOM 692 N ARG A 48 2.043 10.322 11.396 1.00 75.10 N ATOM 693 CA ARG A 48 2.093 9.155 10.524 1.00 71.43 C ATOM 694 C ARG A 48 3.515 8.906 10.032 1.00 44.20 C ATOM 695 O ARG A 48 4.227 9.839 9.663 1.00 11.40 O ATOM 696 CB ARG A 48 1.154 9.344 9.331 1.00 11.15 C ATOM 697 CG ARG A 48 0.572 8.042 8.804 1.00 21.44 C ATOM 698 CD ARG A 48 -0.949 8.066 8.819 1.00 71.10 C ATOM 699 NE ARG A 48 -1.517 6.722 8.892 1.00 53.14 N ATOM 700 CZ ARG A 48 -2.822 6.475 8.902 1.00 62.44 C ATOM 701 NH1 ARG A 48 -3.690 7.476 8.843 1.00 43.52 N ATOM 702 NH2 ARG A 48 -3.262 5.226 8.970 1.00 15.24 N ATOM 0 H ARG A 48 1.868 11.203 10.912 1.00 75.10 H new ATOM 0 HA ARG A 48 1.769 8.287 11.099 1.00 71.43 H new ATOM 0 HB2 ARG A 48 0.338 10.006 9.622 1.00 11.15 H new ATOM 0 HB3 ARG A 48 1.697 9.842 8.527 1.00 11.15 H new ATOM 0 HG2 ARG A 48 0.924 7.870 7.787 1.00 21.44 H new ATOM 0 HG3 ARG A 48 0.930 7.210 9.411 1.00 21.44 H new ATOM 0 HD2 ARG A 48 -1.294 8.652 9.671 1.00 71.10 H new ATOM 0 HD3 ARG A 48 -1.313 8.565 7.921 1.00 71.10 H new ATOM 0 HE ARG A 48 -0.876 5.930 8.938 1.00 53.14 H new ATOM 0 HH11 ARG A 48 -3.356 8.438 8.790 1.00 43.52 H new ATOM 0 HH12 ARG A 48 -4.692 7.284 8.851 1.00 43.52 H new ATOM 0 HH21 ARG A 48 -2.598 4.453 9.015 1.00 15.24 H new ATOM 0 HH22 ARG A 48 -4.265 5.038 8.978 1.00 15.24 H new ATOM 716 N GLU A 49 3.922 7.640 10.029 1.00 73.13 N ATOM 717 CA GLU A 49 5.260 7.268 9.583 1.00 34.40 C ATOM 718 C GLU A 49 5.555 7.853 8.205 1.00 65.11 C ATOM 719 O GLU A 49 4.654 8.228 7.455 1.00 23.51 O ATOM 720 CB GLU A 49 5.404 5.745 9.544 1.00 75.55 C ATOM 721 CG GLU A 49 6.030 5.162 10.800 1.00 72.21 C ATOM 722 CD GLU A 49 6.013 3.647 10.811 1.00 25.25 C ATOM 723 OE1 GLU A 49 6.059 3.046 9.716 1.00 1.33 O ATOM 724 OE2 GLU A 49 5.953 3.060 11.911 1.00 15.32 O ATOM 0 H GLU A 49 3.344 6.855 10.330 1.00 73.13 H new ATOM 0 HA GLU A 49 5.979 7.675 10.294 1.00 34.40 H new ATOM 0 HB2 GLU A 49 4.420 5.299 9.397 1.00 75.55 H new ATOM 0 HB3 GLU A 49 6.012 5.468 8.683 1.00 75.55 H new ATOM 0 HG2 GLU A 49 7.059 5.511 10.884 1.00 72.21 H new ATOM 0 HG3 GLU A 49 5.495 5.534 11.674 1.00 72.21 H new ATOM 731 N PRO A 50 6.850 7.934 7.862 1.00 30.04 N ATOM 732 CA PRO A 50 7.295 8.472 6.573 1.00 15.52 C ATOM 733 C PRO A 50 6.943 7.553 5.409 1.00 53.52 C ATOM 734 O PRO A 50 6.464 8.006 4.370 1.00 74.04 O ATOM 735 CB PRO A 50 8.814 8.571 6.737 1.00 24.03 C ATOM 736 CG PRO A 50 9.152 7.550 7.768 1.00 61.42 C ATOM 737 CD PRO A 50 7.978 7.506 8.707 1.00 21.30 C ATOM 0 HA PRO A 50 6.815 9.422 6.339 1.00 15.52 H new ATOM 0 HB2 PRO A 50 9.327 8.369 5.797 1.00 24.03 H new ATOM 0 HB3 PRO A 50 9.113 9.569 7.056 1.00 24.03 H new ATOM 0 HG2 PRO A 50 9.323 6.575 7.311 1.00 61.42 H new ATOM 0 HG3 PRO A 50 10.066 7.818 8.298 1.00 61.42 H new ATOM 0 HD2 PRO A 50 7.822 6.505 9.109 1.00 21.30 H new ATOM 0 HD3 PRO A 50 8.119 8.173 9.558 1.00 21.30 H new ATOM 745 N GLY A 51 7.184 6.257 5.589 1.00 71.21 N ATOM 746 CA GLY A 51 6.886 5.295 4.545 1.00 64.51 C ATOM 747 C GLY A 51 5.458 4.789 4.613 1.00 13.43 C ATOM 748 O GLY A 51 5.218 3.582 4.575 1.00 2.41 O ATOM 0 H GLY A 51 7.580 5.857 6.440 1.00 71.21 H new ATOM 0 HA2 GLY A 51 7.060 5.754 3.572 1.00 64.51 H new ATOM 0 HA3 GLY A 51 7.571 4.451 4.626 1.00 64.51 H new ATOM 752 N ASP A 52 4.509 5.712 4.717 1.00 13.42 N ATOM 753 CA ASP A 52 3.098 5.352 4.792 1.00 21.44 C ATOM 754 C ASP A 52 2.256 6.269 3.910 1.00 50.01 C ATOM 755 O ASP A 52 1.494 7.097 4.409 1.00 61.51 O ATOM 756 CB ASP A 52 2.607 5.425 6.239 1.00 1.34 C ATOM 757 CG ASP A 52 1.420 4.516 6.494 1.00 45.40 C ATOM 758 OD1 ASP A 52 0.549 4.414 5.604 1.00 13.23 O ATOM 759 OD2 ASP A 52 1.363 3.907 7.583 1.00 3.12 O ATOM 0 H ASP A 52 4.691 6.715 4.751 1.00 13.42 H new ATOM 0 HA ASP A 52 2.990 4.329 4.431 1.00 21.44 H new ATOM 0 HB2 ASP A 52 3.421 5.152 6.910 1.00 1.34 H new ATOM 0 HB3 ASP A 52 2.331 6.453 6.475 1.00 1.34 H new ATOM 764 N ILE A 53 2.399 6.115 2.598 1.00 5.42 N ATOM 765 CA ILE A 53 1.652 6.929 1.647 1.00 1.33 C ATOM 766 C ILE A 53 0.269 6.341 1.389 1.00 1.23 C ATOM 767 O ILE A 53 0.113 5.149 1.125 1.00 33.14 O ATOM 768 CB ILE A 53 2.401 7.059 0.308 1.00 23.52 C ATOM 769 CG1 ILE A 53 1.682 8.052 -0.609 1.00 31.04 C ATOM 770 CG2 ILE A 53 2.522 5.700 -0.366 1.00 51.35 C ATOM 771 CD1 ILE A 53 2.125 9.484 -0.412 1.00 72.15 C ATOM 0 H ILE A 53 3.026 5.434 2.169 1.00 5.42 H new ATOM 0 HA ILE A 53 1.546 7.918 2.092 1.00 1.33 H new ATOM 0 HB ILE A 53 3.405 7.436 0.505 1.00 23.52 H new ATOM 0 HG12 ILE A 53 1.854 7.766 -1.647 1.00 31.04 H new ATOM 0 HG13 ILE A 53 0.608 7.985 -0.434 1.00 31.04 H new ATOM 0 HG21 ILE A 53 3.054 5.809 -1.311 1.00 51.35 H new ATOM 0 HG22 ILE A 53 3.072 5.019 0.284 1.00 51.35 H new ATOM 0 HG23 ILE A 53 1.527 5.297 -0.554 1.00 51.35 H new ATOM 0 HD11 ILE A 53 1.575 10.132 -1.094 1.00 72.15 H new ATOM 0 HD12 ILE A 53 1.928 9.788 0.616 1.00 72.15 H new ATOM 0 HD13 ILE A 53 3.193 9.566 -0.616 1.00 72.15 H new ATOM 783 N PRO A 54 -0.761 7.197 1.464 1.00 62.12 N ATOM 784 CA PRO A 54 -2.149 6.786 1.239 1.00 34.30 C ATOM 785 C PRO A 54 -2.421 6.434 -0.220 1.00 74.31 C ATOM 786 O PRO A 54 -1.674 6.833 -1.113 1.00 72.11 O ATOM 787 CB PRO A 54 -2.956 8.021 1.650 1.00 33.12 C ATOM 788 CG PRO A 54 -2.020 9.164 1.462 1.00 41.30 C ATOM 789 CD PRO A 54 -0.649 8.632 1.774 1.00 45.45 C ATOM 0 HA PRO A 54 -2.403 5.887 1.800 1.00 34.30 H new ATOM 0 HB2 PRO A 54 -3.848 8.134 1.034 1.00 33.12 H new ATOM 0 HB3 PRO A 54 -3.290 7.949 2.685 1.00 33.12 H new ATOM 0 HG2 PRO A 54 -2.068 9.544 0.442 1.00 41.30 H new ATOM 0 HG3 PRO A 54 -2.277 9.992 2.123 1.00 41.30 H new ATOM 0 HD2 PRO A 54 0.117 9.115 1.168 1.00 45.45 H new ATOM 0 HD3 PRO A 54 -0.381 8.798 2.818 1.00 45.45 H new ATOM 797 N GLU A 55 -3.494 5.685 -0.454 1.00 73.55 N ATOM 798 CA GLU A 55 -3.864 5.281 -1.804 1.00 44.34 C ATOM 799 C GLU A 55 -5.325 4.847 -1.863 1.00 61.43 C ATOM 800 O GLU A 55 -5.715 4.051 -2.718 1.00 61.53 O ATOM 801 CB GLU A 55 -2.962 4.141 -2.283 1.00 2.15 C ATOM 802 CG GLU A 55 -2.252 4.434 -3.594 1.00 74.22 C ATOM 803 CD GLU A 55 -0.990 3.613 -3.771 1.00 14.01 C ATOM 804 OE1 GLU A 55 -0.278 3.397 -2.767 1.00 40.10 O ATOM 805 OE2 GLU A 55 -0.713 3.187 -4.911 1.00 25.33 O ATOM 0 H GLU A 55 -4.122 5.346 0.275 1.00 73.55 H new ATOM 0 HA GLU A 55 -3.733 6.141 -2.461 1.00 44.34 H new ATOM 0 HB2 GLU A 55 -2.217 3.932 -1.515 1.00 2.15 H new ATOM 0 HB3 GLU A 55 -3.562 3.239 -2.399 1.00 2.15 H new ATOM 0 HG2 GLU A 55 -2.931 4.233 -4.423 1.00 74.22 H new ATOM 0 HG3 GLU A 55 -2.000 5.494 -3.638 1.00 74.22 H new ATOM 812 N THR A 56 -6.130 5.376 -0.947 1.00 12.33 N ATOM 813 CA THR A 56 -7.548 5.043 -0.892 1.00 74.22 C ATOM 814 C THR A 56 -8.365 6.209 -0.347 1.00 35.55 C ATOM 815 O THR A 56 -7.894 6.968 0.502 1.00 21.25 O ATOM 816 CB THR A 56 -7.800 3.800 -0.017 1.00 23.22 C ATOM 817 OG1 THR A 56 -7.442 4.077 1.341 1.00 12.40 O ATOM 818 CG2 THR A 56 -7.001 2.610 -0.525 1.00 3.35 C ATOM 0 H THR A 56 -5.824 6.037 -0.233 1.00 12.33 H new ATOM 0 HA THR A 56 -7.863 4.828 -1.913 1.00 74.22 H new ATOM 0 HB THR A 56 -8.861 3.554 -0.070 1.00 23.22 H new ATOM 0 HG1 THR A 56 -7.992 3.532 1.942 1.00 12.40 H new ATOM 0 HG21 THR A 56 -7.195 1.744 0.108 1.00 3.35 H new ATOM 0 HG22 THR A 56 -7.297 2.384 -1.549 1.00 3.35 H new ATOM 0 HG23 THR A 56 -5.938 2.848 -0.499 1.00 3.35 H new ATOM 826 N LEU A 57 -9.593 6.345 -0.837 1.00 53.42 N ATOM 827 CA LEU A 57 -10.477 7.418 -0.398 1.00 74.14 C ATOM 828 C LEU A 57 -10.580 7.450 1.124 1.00 32.53 C ATOM 829 O LEU A 57 -10.665 8.520 1.728 1.00 32.45 O ATOM 830 CB LEU A 57 -11.867 7.244 -1.011 1.00 50.24 C ATOM 831 CG LEU A 57 -12.645 8.531 -1.287 1.00 30.32 C ATOM 832 CD1 LEU A 57 -12.919 9.278 0.009 1.00 2.40 C ATOM 833 CD2 LEU A 57 -11.884 9.416 -2.264 1.00 52.23 C ATOM 0 H LEU A 57 -9.998 5.725 -1.538 1.00 53.42 H new ATOM 0 HA LEU A 57 -10.054 8.364 -0.735 1.00 74.14 H new ATOM 0 HB2 LEU A 57 -11.763 6.698 -1.949 1.00 50.24 H new ATOM 0 HB3 LEU A 57 -12.461 6.620 -0.343 1.00 50.24 H new ATOM 0 HG LEU A 57 -13.601 8.265 -1.738 1.00 30.32 H new ATOM 0 HD11 LEU A 57 -13.473 10.191 -0.208 1.00 2.40 H new ATOM 0 HD12 LEU A 57 -13.506 8.646 0.676 1.00 2.40 H new ATOM 0 HD13 LEU A 57 -11.974 9.533 0.489 1.00 2.40 H new ATOM 0 HD21 LEU A 57 -12.453 10.327 -2.449 1.00 52.23 H new ATOM 0 HD22 LEU A 57 -10.913 9.674 -1.841 1.00 52.23 H new ATOM 0 HD23 LEU A 57 -11.740 8.882 -3.203 1.00 52.23 H new ATOM 845 N ASP A 58 -10.572 6.272 1.737 1.00 35.04 N ATOM 846 CA ASP A 58 -10.662 6.164 3.189 1.00 62.12 C ATOM 847 C ASP A 58 -9.392 6.689 3.852 1.00 23.04 C ATOM 848 O ASP A 58 -9.453 7.394 4.858 1.00 53.41 O ATOM 849 CB ASP A 58 -10.904 4.711 3.600 1.00 30.01 C ATOM 850 CG ASP A 58 -12.354 4.298 3.438 1.00 43.12 C ATOM 851 OD1 ASP A 58 -12.895 4.453 2.323 1.00 43.23 O ATOM 852 OD2 ASP A 58 -12.947 3.817 4.427 1.00 64.02 O ATOM 0 H ASP A 58 -10.504 5.378 1.251 1.00 35.04 H new ATOM 0 HA ASP A 58 -11.503 6.772 3.523 1.00 62.12 H new ATOM 0 HB2 ASP A 58 -10.273 4.056 2.999 1.00 30.01 H new ATOM 0 HB3 ASP A 58 -10.604 4.576 4.639 1.00 30.01 H new ATOM 857 N GLN A 59 -8.244 6.337 3.282 1.00 45.23 N ATOM 858 CA GLN A 59 -6.960 6.771 3.820 1.00 21.33 C ATOM 859 C GLN A 59 -6.871 8.294 3.855 1.00 10.35 C ATOM 860 O GLN A 59 -6.483 8.879 4.867 1.00 62.35 O ATOM 861 CB GLN A 59 -5.814 6.201 2.982 1.00 14.32 C ATOM 862 CG GLN A 59 -5.124 5.008 3.625 1.00 74.25 C ATOM 863 CD GLN A 59 -6.037 3.805 3.749 1.00 3.45 C ATOM 864 OE1 GLN A 59 -7.021 3.829 4.489 1.00 43.31 O ATOM 865 NE2 GLN A 59 -5.714 2.741 3.021 1.00 51.31 N ATOM 0 H GLN A 59 -8.177 5.753 2.448 1.00 45.23 H new ATOM 0 HA GLN A 59 -6.877 6.397 4.840 1.00 21.33 H new ATOM 0 HB2 GLN A 59 -6.201 5.904 2.007 1.00 14.32 H new ATOM 0 HB3 GLN A 59 -5.078 6.985 2.808 1.00 14.32 H new ATOM 0 HG2 GLN A 59 -4.249 4.737 3.034 1.00 74.25 H new ATOM 0 HG3 GLN A 59 -4.765 5.290 4.615 1.00 74.25 H new ATOM 0 HE21 GLN A 59 -4.889 2.765 2.421 1.00 51.31 H new ATOM 0 HE22 GLN A 59 -6.291 1.901 3.062 1.00 51.31 H new ATOM 874 N LEU A 60 -7.233 8.929 2.746 1.00 2.43 N ATOM 875 CA LEU A 60 -7.194 10.383 2.650 1.00 61.52 C ATOM 876 C LEU A 60 -8.206 11.019 3.598 1.00 24.20 C ATOM 877 O LEU A 60 -7.864 11.895 4.391 1.00 52.31 O ATOM 878 CB LEU A 60 -7.475 10.827 1.213 1.00 71.22 C ATOM 879 CG LEU A 60 -6.370 10.542 0.195 1.00 23.54 C ATOM 880 CD1 LEU A 60 -6.947 9.881 -1.048 1.00 32.52 C ATOM 881 CD2 LEU A 60 -5.639 11.826 -0.172 1.00 20.13 C ATOM 0 H LEU A 60 -7.557 8.459 1.901 1.00 2.43 H new ATOM 0 HA LEU A 60 -6.196 10.715 2.938 1.00 61.52 H new ATOM 0 HB2 LEU A 60 -8.388 10.338 0.875 1.00 71.22 H new ATOM 0 HB3 LEU A 60 -7.670 11.899 1.217 1.00 71.22 H new ATOM 0 HG LEU A 60 -5.654 9.856 0.647 1.00 23.54 H new ATOM 0 HD11 LEU A 60 -6.146 9.686 -1.761 1.00 32.52 H new ATOM 0 HD12 LEU A 60 -7.424 8.941 -0.772 1.00 32.52 H new ATOM 0 HD13 LEU A 60 -7.684 10.542 -1.503 1.00 32.52 H new ATOM 0 HD21 LEU A 60 -4.856 11.604 -0.897 1.00 20.13 H new ATOM 0 HD22 LEU A 60 -6.344 12.535 -0.605 1.00 20.13 H new ATOM 0 HD23 LEU A 60 -5.192 12.259 0.723 1.00 20.13 H new ATOM 893 N ARG A 61 -9.454 10.569 3.511 1.00 0.21 N ATOM 894 CA ARG A 61 -10.516 11.092 4.361 1.00 53.15 C ATOM 895 C ARG A 61 -10.108 11.047 5.831 1.00 44.31 C ATOM 896 O ARG A 61 -10.541 11.875 6.632 1.00 72.35 O ATOM 897 CB ARG A 61 -11.805 10.295 4.153 1.00 54.11 C ATOM 898 CG ARG A 61 -12.993 10.848 4.923 1.00 21.24 C ATOM 899 CD ARG A 61 -13.349 9.962 6.108 1.00 50.24 C ATOM 900 NE ARG A 61 -14.113 8.786 5.702 1.00 11.40 N ATOM 901 CZ ARG A 61 -14.803 8.030 6.548 1.00 34.52 C ATOM 902 NH1 ARG A 61 -14.826 8.327 7.840 1.00 32.22 N ATOM 903 NH2 ARG A 61 -15.474 6.975 6.102 1.00 33.03 N ATOM 0 H ARG A 61 -9.754 9.843 2.860 1.00 0.21 H new ATOM 0 HA ARG A 61 -10.691 12.131 4.082 1.00 53.15 H new ATOM 0 HB2 ARG A 61 -12.046 10.281 3.090 1.00 54.11 H new ATOM 0 HB3 ARG A 61 -11.636 9.261 4.455 1.00 54.11 H new ATOM 0 HG2 ARG A 61 -12.764 11.854 5.275 1.00 21.24 H new ATOM 0 HG3 ARG A 61 -13.853 10.931 4.258 1.00 21.24 H new ATOM 0 HD2 ARG A 61 -12.435 9.645 6.611 1.00 50.24 H new ATOM 0 HD3 ARG A 61 -13.927 10.538 6.831 1.00 50.24 H new ATOM 0 HE ARG A 61 -14.117 8.531 4.714 1.00 11.40 H new ATOM 0 HH11 ARG A 61 -14.313 9.138 8.186 1.00 32.22 H new ATOM 0 HH12 ARG A 61 -15.357 7.745 8.488 1.00 32.22 H new ATOM 0 HH21 ARG A 61 -15.460 6.744 5.109 1.00 33.03 H new ATOM 0 HH22 ARG A 61 -16.004 6.395 6.753 1.00 33.03 H new ATOM 917 N LEU A 62 -9.273 10.074 6.178 1.00 24.12 N ATOM 918 CA LEU A 62 -8.807 9.919 7.551 1.00 12.24 C ATOM 919 C LEU A 62 -7.805 11.010 7.912 1.00 11.32 C ATOM 920 O LEU A 62 -8.019 11.779 8.849 1.00 51.52 O ATOM 921 CB LEU A 62 -8.170 8.541 7.742 1.00 40.31 C ATOM 922 CG LEU A 62 -8.674 7.728 8.934 1.00 20.15 C ATOM 923 CD1 LEU A 62 -8.523 8.520 10.223 1.00 63.31 C ATOM 924 CD2 LEU A 62 -10.124 7.317 8.724 1.00 32.32 C ATOM 0 H LEU A 62 -8.905 9.380 5.527 1.00 24.12 H new ATOM 0 HA LEU A 62 -9.668 10.009 8.213 1.00 12.24 H new ATOM 0 HB2 LEU A 62 -8.334 7.958 6.835 1.00 40.31 H new ATOM 0 HB3 LEU A 62 -7.093 8.672 7.847 1.00 40.31 H new ATOM 0 HG LEU A 62 -8.069 6.825 9.015 1.00 20.15 H new ATOM 0 HD11 LEU A 62 -8.887 7.925 11.060 1.00 63.31 H new ATOM 0 HD12 LEU A 62 -7.472 8.763 10.380 1.00 63.31 H new ATOM 0 HD13 LEU A 62 -9.102 9.441 10.154 1.00 63.31 H new ATOM 0 HD21 LEU A 62 -10.466 6.739 9.582 1.00 32.32 H new ATOM 0 HD22 LEU A 62 -10.743 8.208 8.616 1.00 32.32 H new ATOM 0 HD23 LEU A 62 -10.203 6.709 7.823 1.00 32.32 H new ATOM 936 N VAL A 63 -6.709 11.073 7.160 1.00 33.45 N ATOM 937 CA VAL A 63 -5.676 12.072 7.398 1.00 55.43 C ATOM 938 C VAL A 63 -6.240 13.484 7.291 1.00 44.21 C ATOM 939 O VAL A 63 -5.817 14.389 8.012 1.00 65.30 O ATOM 940 CB VAL A 63 -4.508 11.920 6.405 1.00 32.12 C ATOM 941 CG1 VAL A 63 -5.018 11.965 4.972 1.00 40.34 C ATOM 942 CG2 VAL A 63 -3.463 12.999 6.643 1.00 64.11 C ATOM 0 H VAL A 63 -6.515 10.443 6.381 1.00 33.45 H new ATOM 0 HA VAL A 63 -5.306 11.908 8.410 1.00 55.43 H new ATOM 0 HB VAL A 63 -4.038 10.950 6.568 1.00 32.12 H new ATOM 0 HG11 VAL A 63 -4.180 11.856 4.284 1.00 40.34 H new ATOM 0 HG12 VAL A 63 -5.726 11.152 4.812 1.00 40.34 H new ATOM 0 HG13 VAL A 63 -5.514 12.919 4.792 1.00 40.34 H new ATOM 0 HG21 VAL A 63 -2.645 12.876 5.933 1.00 64.11 H new ATOM 0 HG22 VAL A 63 -3.917 13.981 6.508 1.00 64.11 H new ATOM 0 HG23 VAL A 63 -3.077 12.914 7.659 1.00 64.11 H new ATOM 952 N ILE A 64 -7.196 13.665 6.387 1.00 22.52 N ATOM 953 CA ILE A 64 -7.821 14.967 6.185 1.00 54.33 C ATOM 954 C ILE A 64 -8.716 15.335 7.363 1.00 72.40 C ATOM 955 O ILE A 64 -8.792 16.498 7.759 1.00 63.43 O ATOM 956 CB ILE A 64 -8.653 14.998 4.891 1.00 21.33 C ATOM 957 CG1 ILE A 64 -7.767 14.701 3.680 1.00 10.03 C ATOM 958 CG2 ILE A 64 -9.338 16.348 4.734 1.00 21.42 C ATOM 959 CD1 ILE A 64 -8.524 14.127 2.503 1.00 21.11 C ATOM 0 H ILE A 64 -7.555 12.926 5.782 1.00 22.52 H new ATOM 0 HA ILE A 64 -7.014 15.695 6.104 1.00 54.33 H new ATOM 0 HB ILE A 64 -9.421 14.227 4.953 1.00 21.33 H new ATOM 0 HG12 ILE A 64 -7.271 15.620 3.369 1.00 10.03 H new ATOM 0 HG13 ILE A 64 -6.985 14.001 3.975 1.00 10.03 H new ATOM 0 HG21 ILE A 64 -9.923 16.355 3.814 1.00 21.42 H new ATOM 0 HG22 ILE A 64 -9.997 16.523 5.584 1.00 21.42 H new ATOM 0 HG23 ILE A 64 -8.585 17.135 4.691 1.00 21.42 H new ATOM 0 HD11 ILE A 64 -7.832 13.941 1.681 1.00 21.11 H new ATOM 0 HD12 ILE A 64 -8.998 13.190 2.797 1.00 21.11 H new ATOM 0 HD13 ILE A 64 -9.288 14.835 2.181 1.00 21.11 H new ATOM 971 N CYS A 65 -9.392 14.336 7.920 1.00 23.31 N ATOM 972 CA CYS A 65 -10.283 14.554 9.054 1.00 2.12 C ATOM 973 C CYS A 65 -9.498 14.984 10.288 1.00 43.13 C ATOM 974 O CYS A 65 -9.823 15.986 10.925 1.00 14.23 O ATOM 975 CB CYS A 65 -11.076 13.281 9.357 1.00 32.42 C ATOM 976 SG CYS A 65 -12.802 13.342 8.819 1.00 13.03 S ATOM 0 H CYS A 65 -9.340 13.367 7.605 1.00 23.31 H new ATOM 0 HA CYS A 65 -10.977 15.353 8.791 1.00 2.12 H new ATOM 0 HB2 CYS A 65 -10.585 12.436 8.874 1.00 32.42 H new ATOM 0 HB3 CYS A 65 -11.047 13.095 10.431 1.00 32.42 H new ATOM 0 HG CYS A 65 -12.856 13.717 7.576 1.00 13.03 H new ATOM 982 N ASP A 66 -8.463 14.220 10.620 1.00 72.20 N ATOM 983 CA ASP A 66 -7.630 14.522 11.779 1.00 31.41 C ATOM 984 C ASP A 66 -6.891 15.843 11.588 1.00 24.52 C ATOM 985 O ASP A 66 -6.859 16.683 12.488 1.00 70.02 O ATOM 986 CB ASP A 66 -6.628 13.393 12.021 1.00 15.14 C ATOM 987 CG ASP A 66 -7.266 12.181 12.672 1.00 51.42 C ATOM 988 OD1 ASP A 66 -8.098 11.523 12.013 1.00 13.43 O ATOM 989 OD2 ASP A 66 -6.933 11.892 13.841 1.00 22.40 O ATOM 0 H ASP A 66 -8.181 13.387 10.103 1.00 72.20 H new ATOM 0 HA ASP A 66 -8.280 14.613 12.649 1.00 31.41 H new ATOM 0 HB2 ASP A 66 -6.181 13.098 11.072 1.00 15.14 H new ATOM 0 HB3 ASP A 66 -5.820 13.758 12.654 1.00 15.14 H new ATOM 994 N LEU A 67 -6.299 16.018 10.412 1.00 60.54 N ATOM 995 CA LEU A 67 -5.560 17.237 10.103 1.00 11.41 C ATOM 996 C LEU A 67 -6.485 18.450 10.101 1.00 45.43 C ATOM 997 O LEU A 67 -6.074 19.555 10.454 1.00 72.23 O ATOM 998 CB LEU A 67 -4.868 17.107 8.745 1.00 4.32 C ATOM 999 CG LEU A 67 -3.755 18.116 8.458 1.00 35.24 C ATOM 1000 CD1 LEU A 67 -2.455 17.677 9.116 1.00 73.55 C ATOM 1001 CD2 LEU A 67 -3.565 18.289 6.959 1.00 1.24 C ATOM 0 H LEU A 67 -6.316 15.332 9.657 1.00 60.54 H new ATOM 0 HA LEU A 67 -4.805 17.380 10.876 1.00 11.41 H new ATOM 0 HB2 LEU A 67 -4.450 16.103 8.668 1.00 4.32 H new ATOM 0 HB3 LEU A 67 -5.624 17.198 7.965 1.00 4.32 H new ATOM 0 HG LEU A 67 -4.045 19.078 8.880 1.00 35.24 H new ATOM 0 HD11 LEU A 67 -1.674 18.407 8.901 1.00 73.55 H new ATOM 0 HD12 LEU A 67 -2.599 17.606 10.194 1.00 73.55 H new ATOM 0 HD13 LEU A 67 -2.160 16.704 8.724 1.00 73.55 H new ATOM 0 HD21 LEU A 67 -2.769 19.010 6.774 1.00 1.24 H new ATOM 0 HD22 LEU A 67 -3.297 17.331 6.513 1.00 1.24 H new ATOM 0 HD23 LEU A 67 -4.492 18.650 6.514 1.00 1.24 H new ATOM 1013 N GLN A 68 -7.734 18.234 9.703 1.00 51.00 N ATOM 1014 CA GLN A 68 -8.717 19.310 9.657 1.00 61.13 C ATOM 1015 C GLN A 68 -9.011 19.840 11.056 1.00 12.03 C ATOM 1016 O GLN A 68 -8.959 21.045 11.298 1.00 44.00 O ATOM 1017 CB GLN A 68 -10.010 18.820 9.002 1.00 72.45 C ATOM 1018 CG GLN A 68 -11.158 19.810 9.109 1.00 64.54 C ATOM 1019 CD GLN A 68 -12.140 19.450 10.206 1.00 1.42 C ATOM 1020 OE1 GLN A 68 -12.572 18.301 10.316 1.00 73.25 O ATOM 1021 NE2 GLN A 68 -12.498 20.432 11.026 1.00 0.24 N ATOM 0 H GLN A 68 -8.089 17.325 9.408 1.00 51.00 H new ATOM 0 HA GLN A 68 -8.301 20.122 9.061 1.00 61.13 H new ATOM 0 HB2 GLN A 68 -9.818 18.611 7.950 1.00 72.45 H new ATOM 0 HB3 GLN A 68 -10.308 17.879 9.465 1.00 72.45 H new ATOM 0 HG2 GLN A 68 -10.757 20.806 9.298 1.00 64.54 H new ATOM 0 HG3 GLN A 68 -11.685 19.854 8.156 1.00 64.54 H new ATOM 0 HE21 GLN A 68 -12.115 21.369 10.898 1.00 0.24 H new ATOM 0 HE22 GLN A 68 -13.156 20.249 11.784 1.00 0.24 H new ATOM 1030 N GLU A 69 -9.320 18.930 11.976 1.00 43.31 N ATOM 1031 CA GLU A 69 -9.623 19.306 13.351 1.00 51.13 C ATOM 1032 C GLU A 69 -8.460 20.075 13.973 1.00 61.13 C ATOM 1033 O GLU A 69 -8.653 21.131 14.577 1.00 70.40 O ATOM 1034 CB GLU A 69 -9.932 18.063 14.187 1.00 74.24 C ATOM 1035 CG GLU A 69 -11.181 17.324 13.740 1.00 24.33 C ATOM 1036 CD GLU A 69 -12.441 17.856 14.396 1.00 2.44 C ATOM 1037 OE1 GLU A 69 -12.355 18.888 15.093 1.00 61.52 O ATOM 1038 OE2 GLU A 69 -13.511 17.239 14.213 1.00 73.42 O ATOM 0 H GLU A 69 -9.367 17.928 11.793 1.00 43.31 H new ATOM 0 HA GLU A 69 -10.500 19.954 13.339 1.00 51.13 H new ATOM 0 HB2 GLU A 69 -9.081 17.383 14.140 1.00 74.24 H new ATOM 0 HB3 GLU A 69 -10.048 18.357 15.230 1.00 74.24 H new ATOM 0 HG2 GLU A 69 -11.278 17.404 12.657 1.00 24.33 H new ATOM 0 HG3 GLU A 69 -11.074 16.264 13.973 1.00 24.33 H new ATOM 1045 N ARG A 70 -7.254 19.538 13.822 1.00 43.14 N ATOM 1046 CA ARG A 70 -6.061 20.172 14.369 1.00 12.14 C ATOM 1047 C ARG A 70 -5.765 21.486 13.652 1.00 51.21 C ATOM 1048 O ARG A 70 -5.259 22.433 14.254 1.00 61.50 O ATOM 1049 CB ARG A 70 -4.859 19.233 14.252 1.00 32.12 C ATOM 1050 CG ARG A 70 -4.902 18.065 15.224 1.00 21.01 C ATOM 1051 CD ARG A 70 -3.839 17.028 14.895 1.00 34.31 C ATOM 1052 NE ARG A 70 -3.738 16.001 15.930 1.00 45.25 N ATOM 1053 CZ ARG A 70 -2.913 14.963 15.857 1.00 24.43 C ATOM 1054 NH1 ARG A 70 -2.123 14.814 14.803 1.00 2.43 N ATOM 1055 NH2 ARG A 70 -2.878 14.071 16.838 1.00 11.11 N ATOM 0 H ARG A 70 -7.077 18.665 13.325 1.00 43.14 H new ATOM 0 HA ARG A 70 -6.245 20.386 15.422 1.00 12.14 H new ATOM 0 HB2 ARG A 70 -4.809 18.846 13.234 1.00 32.12 H new ATOM 0 HB3 ARG A 70 -3.946 19.803 14.422 1.00 32.12 H new ATOM 0 HG2 ARG A 70 -4.754 18.430 16.240 1.00 21.01 H new ATOM 0 HG3 ARG A 70 -5.887 17.600 15.193 1.00 21.01 H new ATOM 0 HD2 ARG A 70 -4.074 16.558 13.940 1.00 34.31 H new ATOM 0 HD3 ARG A 70 -2.874 17.522 14.779 1.00 34.31 H new ATOM 0 HE ARG A 70 -4.334 16.086 16.753 1.00 45.25 H new ATOM 0 HH11 ARG A 70 -2.148 15.497 14.046 1.00 2.43 H new ATOM 0 HH12 ARG A 70 -1.490 14.016 14.749 1.00 2.43 H new ATOM 0 HH21 ARG A 70 -3.485 14.182 17.650 1.00 11.11 H new ATOM 0 HH22 ARG A 70 -2.244 13.274 16.780 1.00 11.11 H new ATOM 1069 N ARG A 71 -6.082 21.535 12.362 1.00 31.42 N ATOM 1070 CA ARG A 71 -5.849 22.731 11.562 1.00 32.32 C ATOM 1071 C ARG A 71 -6.599 23.927 12.143 1.00 25.11 C ATOM 1072 O ARG A 71 -6.047 25.021 12.256 1.00 14.12 O ATOM 1073 CB ARG A 71 -6.284 22.496 10.115 1.00 34.42 C ATOM 1074 CG ARG A 71 -6.284 23.757 9.266 1.00 34.45 C ATOM 1075 CD ARG A 71 -7.666 24.389 9.208 1.00 4.21 C ATOM 1076 NE ARG A 71 -7.983 24.888 7.872 1.00 0.04 N ATOM 1077 CZ ARG A 71 -8.414 24.114 6.882 1.00 50.12 C ATOM 1078 NH1 ARG A 71 -8.579 22.814 7.076 1.00 22.34 N ATOM 1079 NH2 ARG A 71 -8.682 24.643 5.694 1.00 12.35 N ATOM 0 H ARG A 71 -6.501 20.760 11.849 1.00 31.42 H new ATOM 0 HA ARG A 71 -4.781 22.949 11.581 1.00 32.32 H new ATOM 0 HB2 ARG A 71 -5.620 21.762 9.660 1.00 34.42 H new ATOM 0 HB3 ARG A 71 -7.285 22.066 10.111 1.00 34.42 H new ATOM 0 HG2 ARG A 71 -5.572 24.473 9.676 1.00 34.45 H new ATOM 0 HG3 ARG A 71 -5.949 23.517 8.257 1.00 34.45 H new ATOM 0 HD2 ARG A 71 -8.414 23.655 9.508 1.00 4.21 H new ATOM 0 HD3 ARG A 71 -7.720 25.209 9.924 1.00 4.21 H new ATOM 0 HE ARG A 71 -7.867 25.885 7.689 1.00 0.04 H new ATOM 0 HH11 ARG A 71 -8.375 22.404 7.988 1.00 22.34 H new ATOM 0 HH12 ARG A 71 -8.910 22.223 6.314 1.00 22.34 H new ATOM 0 HH21 ARG A 71 -8.557 25.644 5.541 1.00 12.35 H new ATOM 0 HH22 ARG A 71 -9.013 24.049 4.934 1.00 12.35 H new ATOM 1093 N GLU A 72 -7.859 23.710 12.507 1.00 21.23 N ATOM 1094 CA GLU A 72 -8.683 24.770 13.073 1.00 73.31 C ATOM 1095 C GLU A 72 -8.194 25.155 14.466 1.00 34.12 C ATOM 1096 O GLU A 72 -8.003 26.333 14.767 1.00 51.52 O ATOM 1097 CB GLU A 72 -10.148 24.330 13.138 1.00 13.43 C ATOM 1098 CG GLU A 72 -10.822 24.259 11.779 1.00 20.41 C ATOM 1099 CD GLU A 72 -12.332 24.363 11.872 1.00 70.21 C ATOM 1100 OE1 GLU A 72 -12.888 25.369 11.381 1.00 34.14 O ATOM 1101 OE2 GLU A 72 -12.958 23.440 12.435 1.00 62.44 O ATOM 0 H GLU A 72 -8.331 22.810 12.420 1.00 21.23 H new ATOM 0 HA GLU A 72 -8.602 25.642 12.424 1.00 73.31 H new ATOM 0 HB2 GLU A 72 -10.204 23.351 13.614 1.00 13.43 H new ATOM 0 HB3 GLU A 72 -10.699 25.024 13.772 1.00 13.43 H new ATOM 0 HG2 GLU A 72 -10.444 25.063 11.147 1.00 20.41 H new ATOM 0 HG3 GLU A 72 -10.555 23.320 11.294 1.00 20.41 H new ATOM 1108 N LYS A 73 -7.995 24.152 15.315 1.00 24.44 N ATOM 1109 CA LYS A 73 -7.528 24.381 16.677 1.00 43.33 C ATOM 1110 C LYS A 73 -6.273 25.248 16.682 1.00 52.50 C ATOM 1111 O LYS A 73 -6.045 26.022 17.612 1.00 61.31 O ATOM 1112 CB LYS A 73 -7.243 23.049 17.372 1.00 10.44 C ATOM 1113 CG LYS A 73 -7.855 22.942 18.757 1.00 33.44 C ATOM 1114 CD LYS A 73 -6.887 23.404 19.833 1.00 52.25 C ATOM 1115 CE LYS A 73 -5.744 22.417 20.015 1.00 42.44 C ATOM 1116 NZ LYS A 73 -4.455 22.962 19.505 1.00 53.30 N ATOM 0 H LYS A 73 -8.150 23.171 15.083 1.00 24.44 H new ATOM 0 HA LYS A 73 -8.314 24.905 17.221 1.00 43.33 H new ATOM 0 HB2 LYS A 73 -7.623 22.237 16.752 1.00 10.44 H new ATOM 0 HB3 LYS A 73 -6.164 22.913 17.449 1.00 10.44 H new ATOM 0 HG2 LYS A 73 -8.763 23.543 18.802 1.00 33.44 H new ATOM 0 HG3 LYS A 73 -8.146 21.909 18.948 1.00 33.44 H new ATOM 0 HD2 LYS A 73 -6.486 24.382 19.567 1.00 52.25 H new ATOM 0 HD3 LYS A 73 -7.420 23.523 20.776 1.00 52.25 H new ATOM 0 HE2 LYS A 73 -5.642 22.171 21.072 1.00 42.44 H new ATOM 0 HE3 LYS A 73 -5.978 21.489 19.493 1.00 42.44 H new ATOM 0 HZ1 LYS A 73 -3.891 22.191 19.093 1.00 53.30 H new ATOM 0 HZ2 LYS A 73 -4.645 23.679 18.777 1.00 53.30 H new ATOM 0 HZ3 LYS A 73 -3.927 23.396 20.289 1.00 53.30 H new ATOM 1130 N PHE A 74 -5.462 25.114 15.637 1.00 72.40 N ATOM 1131 CA PHE A 74 -4.230 25.885 15.522 1.00 72.54 C ATOM 1132 C PHE A 74 -4.467 27.174 14.740 1.00 40.24 C ATOM 1133 O PHE A 74 -3.744 28.156 14.906 1.00 72.40 O ATOM 1134 CB PHE A 74 -3.144 25.053 14.838 1.00 33.22 C ATOM 1135 CG PHE A 74 -1.784 25.689 14.883 1.00 50.21 C ATOM 1136 CD1 PHE A 74 -1.367 26.535 13.869 1.00 65.12 C ATOM 1137 CD2 PHE A 74 -0.922 25.439 15.939 1.00 22.11 C ATOM 1138 CE1 PHE A 74 -0.117 27.123 13.906 1.00 54.40 C ATOM 1139 CE2 PHE A 74 0.329 26.023 15.982 1.00 31.21 C ATOM 1140 CZ PHE A 74 0.733 26.866 14.965 1.00 3.15 C ATOM 0 H PHE A 74 -5.636 24.479 14.858 1.00 72.40 H new ATOM 0 HA PHE A 74 -3.899 26.145 16.527 1.00 72.54 H new ATOM 0 HB2 PHE A 74 -3.094 24.074 15.314 1.00 33.22 H new ATOM 0 HB3 PHE A 74 -3.425 24.888 13.798 1.00 33.22 H new ATOM 0 HD1 PHE A 74 -2.027 26.738 13.039 1.00 65.12 H new ATOM 0 HD2 PHE A 74 -1.232 24.780 16.737 1.00 22.11 H new ATOM 0 HE1 PHE A 74 0.195 27.782 13.109 1.00 54.40 H new ATOM 0 HE2 PHE A 74 0.991 25.821 16.811 1.00 31.21 H new ATOM 0 HZ PHE A 74 1.711 27.323 14.997 1.00 3.15 H new ATOM 1150 N GLY A 75 -5.485 27.163 13.885 1.00 62.12 N ATOM 1151 CA GLY A 75 -5.800 28.335 13.089 1.00 41.14 C ATOM 1152 C GLY A 75 -5.548 28.116 11.610 1.00 22.34 C ATOM 1153 O GLY A 75 -4.931 27.126 11.219 1.00 25.11 O ATOM 0 H GLY A 75 -6.098 26.363 13.729 1.00 62.12 H new ATOM 0 HA2 GLY A 75 -6.846 28.603 13.241 1.00 41.14 H new ATOM 0 HA3 GLY A 75 -5.202 29.177 13.436 1.00 41.14 H new ATOM 1157 N SER A 76 -6.031 29.041 10.786 1.00 33.13 N ATOM 1158 CA SER A 76 -5.861 28.941 9.342 1.00 71.31 C ATOM 1159 C SER A 76 -4.478 29.430 8.923 1.00 12.30 C ATOM 1160 O SER A 76 -4.083 30.553 9.235 1.00 31.40 O ATOM 1161 CB SER A 76 -6.940 29.754 8.622 1.00 14.54 C ATOM 1162 OG SER A 76 -7.297 30.902 9.371 1.00 14.23 O ATOM 0 H SER A 76 -6.543 29.868 11.094 1.00 33.13 H new ATOM 0 HA SER A 76 -5.958 27.892 9.062 1.00 71.31 H new ATOM 0 HB2 SER A 76 -6.578 30.055 7.639 1.00 14.54 H new ATOM 0 HB3 SER A 76 -7.821 29.133 8.460 1.00 14.54 H new ATOM 0 HG SER A 76 -7.986 31.405 8.889 1.00 14.23 H new ATOM 1168 N SER A 77 -3.745 28.576 8.214 1.00 73.45 N ATOM 1169 CA SER A 77 -2.405 28.918 7.754 1.00 13.31 C ATOM 1170 C SER A 77 -2.205 28.501 6.301 1.00 40.24 C ATOM 1171 O SER A 77 -2.692 27.454 5.870 1.00 55.45 O ATOM 1172 CB SER A 77 -1.352 28.245 8.638 1.00 74.20 C ATOM 1173 OG SER A 77 -0.399 27.548 7.857 1.00 4.15 O ATOM 0 H SER A 77 -4.057 27.643 7.946 1.00 73.45 H new ATOM 0 HA SER A 77 -2.290 30.000 7.822 1.00 13.31 H new ATOM 0 HB2 SER A 77 -0.849 28.997 9.245 1.00 74.20 H new ATOM 0 HB3 SER A 77 -1.839 27.553 9.326 1.00 74.20 H new ATOM 0 HG SER A 77 0.263 27.129 8.446 1.00 4.15 H new ATOM 1179 N LYS A 78 -1.487 29.327 5.548 1.00 44.34 N ATOM 1180 CA LYS A 78 -1.220 29.046 4.142 1.00 35.14 C ATOM 1181 C LYS A 78 -0.612 27.657 3.971 1.00 71.35 C ATOM 1182 O LYS A 78 -0.859 26.982 2.972 1.00 10.15 O ATOM 1183 CB LYS A 78 -0.279 30.102 3.559 1.00 23.53 C ATOM 1184 CG LYS A 78 1.060 30.183 4.271 1.00 62.32 C ATOM 1185 CD LYS A 78 1.465 31.624 4.534 1.00 14.22 C ATOM 1186 CE LYS A 78 2.610 31.707 5.533 1.00 72.22 C ATOM 1187 NZ LYS A 78 2.552 32.958 6.339 1.00 10.24 N ATOM 0 H LYS A 78 -1.079 30.198 5.888 1.00 44.34 H new ATOM 0 HA LYS A 78 -2.168 29.077 3.605 1.00 35.14 H new ATOM 0 HB2 LYS A 78 -0.108 29.882 2.505 1.00 23.53 H new ATOM 0 HB3 LYS A 78 -0.766 31.076 3.606 1.00 23.53 H new ATOM 0 HG2 LYS A 78 1.004 29.642 5.215 1.00 62.32 H new ATOM 0 HG3 LYS A 78 1.824 29.694 3.667 1.00 62.32 H new ATOM 0 HD2 LYS A 78 1.762 32.096 3.598 1.00 14.22 H new ATOM 0 HD3 LYS A 78 0.608 32.181 4.914 1.00 14.22 H new ATOM 0 HE2 LYS A 78 2.575 30.844 6.198 1.00 72.22 H new ATOM 0 HE3 LYS A 78 3.560 31.661 5.001 1.00 72.22 H new ATOM 0 HZ1 LYS A 78 3.348 32.977 7.008 1.00 10.24 H new ATOM 0 HZ2 LYS A 78 2.611 33.781 5.707 1.00 10.24 H new ATOM 0 HZ3 LYS A 78 1.656 32.990 6.866 1.00 10.24 H new ATOM 1201 N GLU A 79 0.181 27.239 4.951 1.00 13.31 N ATOM 1202 CA GLU A 79 0.823 25.930 4.908 1.00 50.43 C ATOM 1203 C GLU A 79 -0.186 24.820 5.186 1.00 13.52 C ATOM 1204 O GLU A 79 -0.467 23.990 4.320 1.00 52.32 O ATOM 1205 CB GLU A 79 1.965 25.864 5.924 1.00 0.24 C ATOM 1206 CG GLU A 79 2.991 26.972 5.761 1.00 40.14 C ATOM 1207 CD GLU A 79 4.238 26.740 6.593 1.00 63.32 C ATOM 1208 OE1 GLU A 79 5.267 27.390 6.312 1.00 61.34 O ATOM 1209 OE2 GLU A 79 4.185 25.909 7.523 1.00 60.54 O ATOM 0 H GLU A 79 0.395 27.787 5.784 1.00 13.31 H new ATOM 0 HA GLU A 79 1.229 25.785 3.907 1.00 50.43 H new ATOM 0 HB2 GLU A 79 1.548 25.912 6.930 1.00 0.24 H new ATOM 0 HB3 GLU A 79 2.466 24.900 5.832 1.00 0.24 H new ATOM 0 HG2 GLU A 79 3.270 27.052 4.710 1.00 40.14 H new ATOM 0 HG3 GLU A 79 2.541 27.923 6.045 1.00 40.14 H new ATOM 1216 N ILE A 80 -0.726 24.810 6.400 1.00 13.13 N ATOM 1217 CA ILE A 80 -1.704 23.802 6.793 1.00 63.14 C ATOM 1218 C ILE A 80 -2.843 23.719 5.782 1.00 71.32 C ATOM 1219 O ILE A 80 -3.438 22.658 5.589 1.00 62.05 O ATOM 1220 CB ILE A 80 -2.288 24.098 8.186 1.00 72.51 C ATOM 1221 CG1 ILE A 80 -3.061 22.886 8.707 1.00 11.24 C ATOM 1222 CG2 ILE A 80 -3.190 25.324 8.133 1.00 4.50 C ATOM 1223 CD1 ILE A 80 -2.174 21.815 9.305 1.00 3.10 C ATOM 0 H ILE A 80 -0.503 25.488 7.129 1.00 13.13 H new ATOM 0 HA ILE A 80 -1.179 22.847 6.824 1.00 63.14 H new ATOM 0 HB ILE A 80 -1.466 24.304 8.872 1.00 72.51 H new ATOM 0 HG12 ILE A 80 -3.775 23.217 9.461 1.00 11.24 H new ATOM 0 HG13 ILE A 80 -3.638 22.454 7.889 1.00 11.24 H new ATOM 0 HG21 ILE A 80 -3.595 25.521 9.126 1.00 4.50 H new ATOM 0 HG22 ILE A 80 -2.613 26.186 7.800 1.00 4.50 H new ATOM 0 HG23 ILE A 80 -4.008 25.144 7.436 1.00 4.50 H new ATOM 0 HD11 ILE A 80 -2.789 20.986 9.654 1.00 3.10 H new ATOM 0 HD12 ILE A 80 -1.476 21.456 8.548 1.00 3.10 H new ATOM 0 HD13 ILE A 80 -1.616 22.231 10.144 1.00 3.10 H new ATOM 1235 N ASP A 81 -3.140 24.843 5.140 1.00 73.15 N ATOM 1236 CA ASP A 81 -4.206 24.897 4.146 1.00 51.10 C ATOM 1237 C ASP A 81 -3.825 24.110 2.896 1.00 34.42 C ATOM 1238 O ASP A 81 -4.493 23.142 2.533 1.00 34.43 O ATOM 1239 CB ASP A 81 -4.513 26.349 3.775 1.00 31.32 C ATOM 1240 CG ASP A 81 -5.381 27.039 4.810 1.00 43.10 C ATOM 1241 OD1 ASP A 81 -5.294 26.670 6.000 1.00 42.43 O ATOM 1242 OD2 ASP A 81 -6.147 27.949 4.429 1.00 11.12 O ATOM 0 H ASP A 81 -2.658 25.729 5.290 1.00 73.15 H new ATOM 0 HA ASP A 81 -5.097 24.444 4.581 1.00 51.10 H new ATOM 0 HB2 ASP A 81 -3.578 26.898 3.664 1.00 31.32 H new ATOM 0 HB3 ASP A 81 -5.015 26.376 2.808 1.00 31.32 H new ATOM 1247 N MET A 82 -2.748 24.531 2.243 1.00 50.54 N ATOM 1248 CA MET A 82 -2.278 23.865 1.033 1.00 35.02 C ATOM 1249 C MET A 82 -2.120 22.366 1.266 1.00 11.04 C ATOM 1250 O MET A 82 -2.267 21.567 0.342 1.00 53.51 O ATOM 1251 CB MET A 82 -0.947 24.467 0.579 1.00 10.11 C ATOM 1252 CG MET A 82 -1.083 25.851 -0.034 1.00 3.32 C ATOM 1253 SD MET A 82 0.450 26.797 0.040 1.00 42.12 S ATOM 1254 CE MET A 82 0.821 26.980 -1.703 1.00 32.53 C ATOM 0 H MET A 82 -2.184 25.330 2.531 1.00 50.54 H new ATOM 0 HA MET A 82 -3.022 24.017 0.251 1.00 35.02 H new ATOM 0 HB2 MET A 82 -0.272 24.522 1.433 1.00 10.11 H new ATOM 0 HB3 MET A 82 -0.486 23.800 -0.149 1.00 10.11 H new ATOM 0 HG2 MET A 82 -1.396 25.754 -1.074 1.00 3.32 H new ATOM 0 HG3 MET A 82 -1.869 26.399 0.486 1.00 3.32 H new ATOM 0 HE1 MET A 82 1.745 27.546 -1.821 1.00 32.53 H new ATOM 0 HE2 MET A 82 0.938 25.995 -2.155 1.00 32.53 H new ATOM 0 HE3 MET A 82 0.006 27.510 -2.195 1.00 32.53 H new ATOM 1264 N ALA A 83 -1.818 21.992 2.506 1.00 64.34 N ATOM 1265 CA ALA A 83 -1.642 20.589 2.859 1.00 25.12 C ATOM 1266 C ALA A 83 -2.958 19.827 2.753 1.00 62.50 C ATOM 1267 O ALA A 83 -3.080 18.883 1.971 1.00 1.30 O ATOM 1268 CB ALA A 83 -1.070 20.466 4.263 1.00 51.45 C ATOM 0 H ALA A 83 -1.690 22.641 3.282 1.00 64.34 H new ATOM 0 HA ALA A 83 -0.939 20.148 2.152 1.00 25.12 H new ATOM 0 HB1 ALA A 83 -0.944 19.413 4.513 1.00 51.45 H new ATOM 0 HB2 ALA A 83 -0.103 20.968 4.307 1.00 51.45 H new ATOM 0 HB3 ALA A 83 -1.752 20.929 4.976 1.00 51.45 H new ATOM 1274 N ILE A 84 -3.942 20.241 3.545 1.00 54.22 N ATOM 1275 CA ILE A 84 -5.249 19.596 3.541 1.00 71.41 C ATOM 1276 C ILE A 84 -5.920 19.726 2.178 1.00 62.50 C ATOM 1277 O ILE A 84 -6.577 18.798 1.706 1.00 70.12 O ATOM 1278 CB ILE A 84 -6.175 20.194 4.616 1.00 55.02 C ATOM 1279 CG1 ILE A 84 -7.548 19.521 4.569 1.00 24.34 C ATOM 1280 CG2 ILE A 84 -6.309 21.697 4.424 1.00 61.22 C ATOM 1281 CD1 ILE A 84 -8.236 19.456 5.914 1.00 13.53 C ATOM 0 H ILE A 84 -3.858 21.020 4.198 1.00 54.22 H new ATOM 0 HA ILE A 84 -5.082 18.542 3.763 1.00 71.41 H new ATOM 0 HB ILE A 84 -5.735 20.011 5.596 1.00 55.02 H new ATOM 0 HG12 ILE A 84 -8.185 20.063 3.870 1.00 24.34 H new ATOM 0 HG13 ILE A 84 -7.435 18.510 4.179 1.00 24.34 H new ATOM 0 HG21 ILE A 84 -6.967 22.105 5.192 1.00 61.22 H new ATOM 0 HG22 ILE A 84 -5.327 22.163 4.503 1.00 61.22 H new ATOM 0 HG23 ILE A 84 -6.730 21.902 3.440 1.00 61.22 H new ATOM 0 HD11 ILE A 84 -9.204 18.966 5.804 1.00 13.53 H new ATOM 0 HD12 ILE A 84 -7.619 18.889 6.611 1.00 13.53 H new ATOM 0 HD13 ILE A 84 -8.382 20.466 6.297 1.00 13.53 H new ATOM 1293 N VAL A 85 -5.751 20.884 1.548 1.00 51.44 N ATOM 1294 CA VAL A 85 -6.338 21.136 0.237 1.00 52.43 C ATOM 1295 C VAL A 85 -5.788 20.169 -0.806 1.00 34.12 C ATOM 1296 O VAL A 85 -6.506 19.738 -1.708 1.00 12.23 O ATOM 1297 CB VAL A 85 -6.074 22.581 -0.228 1.00 11.43 C ATOM 1298 CG1 VAL A 85 -6.593 22.789 -1.642 1.00 4.41 C ATOM 1299 CG2 VAL A 85 -6.708 23.573 0.733 1.00 73.54 C ATOM 0 H VAL A 85 -5.212 21.663 1.925 1.00 51.44 H new ATOM 0 HA VAL A 85 -7.413 20.985 0.337 1.00 52.43 H new ATOM 0 HB VAL A 85 -4.998 22.753 -0.233 1.00 11.43 H new ATOM 0 HG11 VAL A 85 -6.398 23.815 -1.954 1.00 4.41 H new ATOM 0 HG12 VAL A 85 -6.087 22.101 -2.320 1.00 4.41 H new ATOM 0 HG13 VAL A 85 -7.666 22.600 -1.667 1.00 4.41 H new ATOM 0 HG21 VAL A 85 -6.512 24.589 0.389 1.00 73.54 H new ATOM 0 HG22 VAL A 85 -7.784 23.405 0.772 1.00 73.54 H new ATOM 0 HG23 VAL A 85 -6.283 23.438 1.728 1.00 73.54 H new ATOM 1309 N THR A 86 -4.509 19.831 -0.676 1.00 55.51 N ATOM 1310 CA THR A 86 -3.861 18.916 -1.606 1.00 4.20 C ATOM 1311 C THR A 86 -4.404 17.500 -1.452 1.00 0.03 C ATOM 1312 O THR A 86 -4.800 16.865 -2.431 1.00 0.11 O ATOM 1313 CB THR A 86 -2.335 18.893 -1.402 1.00 41.34 C ATOM 1314 OG1 THR A 86 -1.772 20.155 -1.776 1.00 44.03 O ATOM 1315 CG2 THR A 86 -1.695 17.784 -2.223 1.00 3.21 C ATOM 0 H THR A 86 -3.901 20.178 0.066 1.00 55.51 H new ATOM 0 HA THR A 86 -4.080 19.280 -2.610 1.00 4.20 H new ATOM 0 HB THR A 86 -2.135 18.704 -0.347 1.00 41.34 H new ATOM 0 HG1 THR A 86 -2.134 20.859 -1.198 1.00 44.03 H new ATOM 0 HG21 THR A 86 -0.617 17.788 -2.062 1.00 3.21 H new ATOM 0 HG22 THR A 86 -2.104 16.822 -1.916 1.00 3.21 H new ATOM 0 HG23 THR A 86 -1.905 17.947 -3.280 1.00 3.21 H new ATOM 1323 N LEU A 87 -4.422 17.009 -0.217 1.00 51.14 N ATOM 1324 CA LEU A 87 -4.918 15.667 0.066 1.00 64.30 C ATOM 1325 C LEU A 87 -6.339 15.489 -0.459 1.00 64.05 C ATOM 1326 O LEU A 87 -6.711 14.413 -0.925 1.00 32.15 O ATOM 1327 CB LEU A 87 -4.881 15.395 1.570 1.00 54.31 C ATOM 1328 CG LEU A 87 -3.552 14.882 2.127 1.00 44.11 C ATOM 1329 CD1 LEU A 87 -3.593 14.831 3.646 1.00 51.02 C ATOM 1330 CD2 LEU A 87 -3.229 13.509 1.555 1.00 45.45 C ATOM 0 H LEU A 87 -4.099 17.521 0.604 1.00 51.14 H new ATOM 0 HA LEU A 87 -4.270 14.953 -0.443 1.00 64.30 H new ATOM 0 HB2 LEU A 87 -5.139 16.316 2.092 1.00 54.31 H new ATOM 0 HB3 LEU A 87 -5.657 14.666 1.806 1.00 54.31 H new ATOM 0 HG LEU A 87 -2.764 15.574 1.828 1.00 44.11 H new ATOM 0 HD11 LEU A 87 -2.639 14.464 4.024 1.00 51.02 H new ATOM 0 HD12 LEU A 87 -3.778 15.831 4.039 1.00 51.02 H new ATOM 0 HD13 LEU A 87 -4.392 14.162 3.966 1.00 51.02 H new ATOM 0 HD21 LEU A 87 -2.280 13.159 1.962 1.00 45.45 H new ATOM 0 HD22 LEU A 87 -4.019 12.808 1.823 1.00 45.45 H new ATOM 0 HD23 LEU A 87 -3.156 13.575 0.469 1.00 45.45 H new ATOM 1342 N LYS A 88 -7.129 16.555 -0.383 1.00 21.14 N ATOM 1343 CA LYS A 88 -8.509 16.519 -0.853 1.00 63.42 C ATOM 1344 C LYS A 88 -8.565 16.509 -2.377 1.00 12.24 C ATOM 1345 O LYS A 88 -9.022 15.540 -2.985 1.00 61.33 O ATOM 1346 CB LYS A 88 -9.284 17.723 -0.313 1.00 22.50 C ATOM 1347 CG LYS A 88 -9.609 17.624 1.167 1.00 14.33 C ATOM 1348 CD LYS A 88 -9.745 18.998 1.802 1.00 12.30 C ATOM 1349 CE LYS A 88 -10.685 18.969 2.998 1.00 65.23 C ATOM 1350 NZ LYS A 88 -12.017 19.549 2.668 1.00 74.11 N ATOM 0 H LYS A 88 -6.837 17.454 -0.000 1.00 21.14 H new ATOM 0 HA LYS A 88 -8.968 15.602 -0.484 1.00 63.42 H new ATOM 0 HB2 LYS A 88 -8.702 18.628 -0.489 1.00 22.50 H new ATOM 0 HB3 LYS A 88 -10.213 17.828 -0.874 1.00 22.50 H new ATOM 0 HG2 LYS A 88 -10.537 17.067 1.300 1.00 14.33 H new ATOM 0 HG3 LYS A 88 -8.825 17.063 1.676 1.00 14.33 H new ATOM 0 HD2 LYS A 88 -8.764 19.353 2.118 1.00 12.30 H new ATOM 0 HD3 LYS A 88 -10.117 19.707 1.062 1.00 12.30 H new ATOM 0 HE2 LYS A 88 -10.810 17.941 3.337 1.00 65.23 H new ATOM 0 HE3 LYS A 88 -10.241 19.525 3.823 1.00 65.23 H new ATOM 0 HZ1 LYS A 88 -12.098 20.496 3.091 1.00 74.11 H new ATOM 0 HZ2 LYS A 88 -12.118 19.621 1.635 1.00 74.11 H new ATOM 0 HZ3 LYS A 88 -12.766 18.935 3.047 1.00 74.11 H new ATOM 1364 N VAL A 89 -8.094 17.589 -2.990 1.00 61.54 N ATOM 1365 CA VAL A 89 -8.088 17.703 -4.444 1.00 54.12 C ATOM 1366 C VAL A 89 -7.423 16.491 -5.087 1.00 12.05 C ATOM 1367 O VAL A 89 -7.772 16.095 -6.199 1.00 21.43 O ATOM 1368 CB VAL A 89 -7.357 18.978 -4.904 1.00 61.20 C ATOM 1369 CG1 VAL A 89 -5.870 18.880 -4.604 1.00 40.54 C ATOM 1370 CG2 VAL A 89 -7.596 19.223 -6.387 1.00 2.52 C ATOM 0 H VAL A 89 -7.711 18.399 -2.502 1.00 61.54 H new ATOM 0 HA VAL A 89 -9.129 17.755 -4.762 1.00 54.12 H new ATOM 0 HB VAL A 89 -7.759 19.826 -4.349 1.00 61.20 H new ATOM 0 HG11 VAL A 89 -5.371 19.790 -4.936 1.00 40.54 H new ATOM 0 HG12 VAL A 89 -5.723 18.756 -3.531 1.00 40.54 H new ATOM 0 HG13 VAL A 89 -5.449 18.023 -5.129 1.00 40.54 H new ATOM 0 HG21 VAL A 89 -7.072 20.128 -6.695 1.00 2.52 H new ATOM 0 HG22 VAL A 89 -7.223 18.375 -6.961 1.00 2.52 H new ATOM 0 HG23 VAL A 89 -8.664 19.342 -6.569 1.00 2.52 H new ATOM 1380 N PHE A 90 -6.464 15.904 -4.379 1.00 12.44 N ATOM 1381 CA PHE A 90 -5.749 14.735 -4.879 1.00 21.51 C ATOM 1382 C PHE A 90 -6.579 13.469 -4.691 1.00 3.45 C ATOM 1383 O PHE A 90 -6.503 12.539 -5.494 1.00 31.12 O ATOM 1384 CB PHE A 90 -4.405 14.589 -4.165 1.00 42.53 C ATOM 1385 CG PHE A 90 -3.631 13.372 -4.588 1.00 61.43 C ATOM 1386 CD1 PHE A 90 -3.743 12.185 -3.884 1.00 54.24 C ATOM 1387 CD2 PHE A 90 -2.792 13.417 -5.690 1.00 10.41 C ATOM 1388 CE1 PHE A 90 -3.032 11.064 -4.270 1.00 21.54 C ATOM 1389 CE2 PHE A 90 -2.079 12.299 -6.081 1.00 71.35 C ATOM 1390 CZ PHE A 90 -2.200 11.121 -5.369 1.00 50.44 C ATOM 0 H PHE A 90 -6.164 16.219 -3.456 1.00 12.44 H new ATOM 0 HA PHE A 90 -5.572 14.877 -5.945 1.00 21.51 H new ATOM 0 HB2 PHE A 90 -3.803 15.477 -4.356 1.00 42.53 H new ATOM 0 HB3 PHE A 90 -4.577 14.545 -3.090 1.00 42.53 H new ATOM 0 HD1 PHE A 90 -4.393 12.134 -3.023 1.00 54.24 H new ATOM 0 HD2 PHE A 90 -2.694 14.336 -6.250 1.00 10.41 H new ATOM 0 HE1 PHE A 90 -3.128 10.144 -3.712 1.00 21.54 H new ATOM 0 HE2 PHE A 90 -1.428 12.346 -6.942 1.00 71.35 H new ATOM 0 HZ PHE A 90 -1.644 10.246 -5.672 1.00 50.44 H new ATOM 1400 N ALA A 91 -7.370 13.440 -3.624 1.00 12.54 N ATOM 1401 CA ALA A 91 -8.214 12.289 -3.330 1.00 33.25 C ATOM 1402 C ALA A 91 -9.363 12.182 -4.326 1.00 23.04 C ATOM 1403 O ALA A 91 -9.610 11.117 -4.892 1.00 64.02 O ATOM 1404 CB ALA A 91 -8.752 12.378 -1.909 1.00 72.43 C ATOM 0 H ALA A 91 -7.444 14.201 -2.949 1.00 12.54 H new ATOM 0 HA ALA A 91 -7.604 11.390 -3.421 1.00 33.25 H new ATOM 0 HB1 ALA A 91 -9.381 11.512 -1.703 1.00 72.43 H new ATOM 0 HB2 ALA A 91 -7.920 12.398 -1.205 1.00 72.43 H new ATOM 0 HB3 ALA A 91 -9.341 13.288 -1.799 1.00 72.43 H new ATOM 1410 N VAL A 92 -10.065 13.292 -4.536 1.00 12.22 N ATOM 1411 CA VAL A 92 -11.188 13.322 -5.465 1.00 51.15 C ATOM 1412 C VAL A 92 -10.712 13.187 -6.907 1.00 13.32 C ATOM 1413 O VAL A 92 -11.222 12.362 -7.665 1.00 71.12 O ATOM 1414 CB VAL A 92 -11.997 14.625 -5.323 1.00 72.42 C ATOM 1415 CG1 VAL A 92 -13.269 14.557 -6.156 1.00 51.43 C ATOM 1416 CG2 VAL A 92 -12.321 14.894 -3.862 1.00 75.53 C ATOM 0 H VAL A 92 -9.875 14.182 -4.075 1.00 12.22 H new ATOM 0 HA VAL A 92 -11.828 12.476 -5.216 1.00 51.15 H new ATOM 0 HB VAL A 92 -11.391 15.451 -5.695 1.00 72.42 H new ATOM 0 HG11 VAL A 92 -13.828 15.486 -6.043 1.00 51.43 H new ATOM 0 HG12 VAL A 92 -13.010 14.414 -7.205 1.00 51.43 H new ATOM 0 HG13 VAL A 92 -13.882 13.722 -5.817 1.00 51.43 H new ATOM 0 HG21 VAL A 92 -12.893 15.818 -3.780 1.00 75.53 H new ATOM 0 HG22 VAL A 92 -12.908 14.068 -3.461 1.00 75.53 H new ATOM 0 HG23 VAL A 92 -11.395 14.989 -3.295 1.00 75.53 H new ATOM 1426 N ALA A 93 -9.731 14.002 -7.280 1.00 54.23 N ATOM 1427 CA ALA A 93 -9.184 13.971 -8.630 1.00 44.44 C ATOM 1428 C ALA A 93 -8.339 12.721 -8.852 1.00 64.52 C ATOM 1429 O ALA A 93 -8.037 12.359 -9.988 1.00 4.11 O ATOM 1430 CB ALA A 93 -8.358 15.222 -8.893 1.00 42.40 C ATOM 0 H ALA A 93 -9.299 14.692 -6.666 1.00 54.23 H new ATOM 0 HA ALA A 93 -10.017 13.944 -9.332 1.00 44.44 H new ATOM 0 HB1 ALA A 93 -7.955 15.186 -9.905 1.00 42.40 H new ATOM 0 HB2 ALA A 93 -8.989 16.104 -8.785 1.00 42.40 H new ATOM 0 HB3 ALA A 93 -7.537 15.273 -8.178 1.00 42.40 H new ATOM 1436 N GLY A 94 -7.962 12.066 -7.759 1.00 5.12 N ATOM 1437 CA GLY A 94 -7.155 10.863 -7.857 1.00 32.24 C ATOM 1438 C GLY A 94 -7.980 9.598 -7.718 1.00 60.23 C ATOM 1439 O GLY A 94 -8.277 8.930 -8.709 1.00 61.32 O ATOM 0 H GLY A 94 -8.200 12.346 -6.808 1.00 5.12 H new ATOM 0 HA2 GLY A 94 -6.639 10.853 -8.817 1.00 32.24 H new ATOM 0 HA3 GLY A 94 -6.388 10.880 -7.083 1.00 32.24 H new ATOM 1443 N LEU A 95 -8.350 9.268 -6.486 1.00 22.13 N ATOM 1444 CA LEU A 95 -9.145 8.074 -6.220 1.00 2.14 C ATOM 1445 C LEU A 95 -10.469 8.122 -6.975 1.00 21.05 C ATOM 1446 O LEU A 95 -10.840 7.168 -7.661 1.00 21.33 O ATOM 1447 CB LEU A 95 -9.405 7.934 -4.720 1.00 21.04 C ATOM 1448 CG LEU A 95 -8.240 7.405 -3.882 1.00 44.42 C ATOM 1449 CD1 LEU A 95 -7.774 6.056 -4.408 1.00 4.30 C ATOM 1450 CD2 LEU A 95 -7.091 8.402 -3.877 1.00 44.25 C ATOM 0 H LEU A 95 -8.112 9.810 -5.655 1.00 22.13 H new ATOM 0 HA LEU A 95 -8.581 7.208 -6.567 1.00 2.14 H new ATOM 0 HB2 LEU A 95 -9.694 8.910 -4.329 1.00 21.04 H new ATOM 0 HB3 LEU A 95 -10.258 7.270 -4.580 1.00 21.04 H new ATOM 0 HG LEU A 95 -8.585 7.273 -2.857 1.00 44.42 H new ATOM 0 HD11 LEU A 95 -6.945 5.695 -3.800 1.00 4.30 H new ATOM 0 HD12 LEU A 95 -8.597 5.343 -4.360 1.00 4.30 H new ATOM 0 HD13 LEU A 95 -7.446 6.162 -5.442 1.00 4.30 H new ATOM 0 HD21 LEU A 95 -6.271 8.009 -3.276 1.00 44.25 H new ATOM 0 HD22 LEU A 95 -6.747 8.565 -4.898 1.00 44.25 H new ATOM 0 HD23 LEU A 95 -7.431 9.347 -3.453 1.00 44.25 H new ATOM 1462 N LEU A 96 -11.177 9.239 -6.847 1.00 4.30 N ATOM 1463 CA LEU A 96 -12.460 9.413 -7.520 1.00 3.42 C ATOM 1464 C LEU A 96 -12.260 9.755 -8.993 1.00 11.01 C ATOM 1465 O LEU A 96 -13.220 9.823 -9.759 1.00 63.13 O ATOM 1466 CB LEU A 96 -13.272 10.513 -6.834 1.00 50.14 C ATOM 1467 CG LEU A 96 -14.706 10.150 -6.451 1.00 31.24 C ATOM 1468 CD1 LEU A 96 -15.123 10.883 -5.186 1.00 71.43 C ATOM 1469 CD2 LEU A 96 -15.661 10.467 -7.593 1.00 44.30 C ATOM 0 H LEU A 96 -10.885 10.037 -6.284 1.00 4.30 H new ATOM 0 HA LEU A 96 -13.007 8.473 -7.456 1.00 3.42 H new ATOM 0 HB2 LEU A 96 -12.743 10.818 -5.931 1.00 50.14 H new ATOM 0 HB3 LEU A 96 -13.302 11.380 -7.494 1.00 50.14 H new ATOM 0 HG LEU A 96 -14.748 9.078 -6.256 1.00 31.24 H new ATOM 0 HD11 LEU A 96 -16.147 10.612 -4.929 1.00 71.43 H new ATOM 0 HD12 LEU A 96 -14.458 10.605 -4.368 1.00 71.43 H new ATOM 0 HD13 LEU A 96 -15.063 11.959 -5.352 1.00 71.43 H new ATOM 0 HD21 LEU A 96 -16.677 10.202 -7.302 1.00 44.30 H new ATOM 0 HD22 LEU A 96 -15.615 11.532 -7.821 1.00 44.30 H new ATOM 0 HD23 LEU A 96 -15.375 9.895 -8.476 1.00 44.30 H new ATOM 1481 N ASN A 97 -11.008 9.966 -9.382 1.00 51.13 N ATOM 1482 CA ASN A 97 -10.682 10.299 -10.764 1.00 52.22 C ATOM 1483 C ASN A 97 -11.536 11.462 -11.259 1.00 30.32 C ATOM 1484 O ASN A 97 -11.854 11.551 -12.444 1.00 45.14 O ATOM 1485 CB ASN A 97 -10.887 9.081 -11.666 1.00 32.34 C ATOM 1486 CG ASN A 97 -10.230 7.832 -11.111 1.00 74.43 C ATOM 1487 OD1 ASN A 97 -10.890 6.983 -10.512 1.00 34.32 O ATOM 1488 ND2 ASN A 97 -8.921 7.716 -11.306 1.00 20.13 N ATOM 0 H ASN A 97 -10.202 9.912 -8.760 1.00 51.13 H new ATOM 0 HA ASN A 97 -9.635 10.598 -10.802 1.00 52.22 H new ATOM 0 HB2 ASN A 97 -11.955 8.901 -11.792 1.00 32.34 H new ATOM 0 HB3 ASN A 97 -10.481 9.293 -12.655 1.00 32.34 H new ATOM 0 HD21 ASN A 97 -8.423 6.898 -10.953 1.00 20.13 H new ATOM 0 HD22 ASN A 97 -8.414 8.444 -11.808 1.00 20.13 H new ATOM 1495 N MET A 98 -11.904 12.351 -10.342 1.00 61.51 N ATOM 1496 CA MET A 98 -12.720 13.510 -10.686 1.00 25.31 C ATOM 1497 C MET A 98 -11.892 14.559 -11.420 1.00 61.31 C ATOM 1498 O MET A 98 -10.664 14.474 -11.470 1.00 20.10 O ATOM 1499 CB MET A 98 -13.336 14.120 -9.425 1.00 12.41 C ATOM 1500 CG MET A 98 -14.670 14.804 -9.670 1.00 21.44 C ATOM 1501 SD MET A 98 -14.681 16.522 -9.121 1.00 4.45 S ATOM 1502 CE MET A 98 -16.391 16.708 -8.623 1.00 1.15 C ATOM 0 H MET A 98 -11.650 12.291 -9.356 1.00 61.51 H new ATOM 0 HA MET A 98 -13.520 13.176 -11.347 1.00 25.31 H new ATOM 0 HB2 MET A 98 -13.471 13.335 -8.680 1.00 12.41 H new ATOM 0 HB3 MET A 98 -12.638 14.843 -9.003 1.00 12.41 H new ATOM 0 HG2 MET A 98 -14.904 14.765 -10.734 1.00 21.44 H new ATOM 0 HG3 MET A 98 -15.456 14.256 -9.151 1.00 21.44 H new ATOM 0 HE1 MET A 98 -16.556 17.722 -8.258 1.00 1.15 H new ATOM 0 HE2 MET A 98 -17.041 16.520 -9.477 1.00 1.15 H new ATOM 0 HE3 MET A 98 -16.618 15.996 -7.830 1.00 1.15 H new ATOM 1512 N THR A 99 -12.570 15.550 -11.991 1.00 34.14 N ATOM 1513 CA THR A 99 -11.898 16.615 -12.724 1.00 0.23 C ATOM 1514 C THR A 99 -11.994 17.941 -11.978 1.00 0.40 C ATOM 1515 O THR A 99 -12.541 18.916 -12.494 1.00 53.23 O ATOM 1516 CB THR A 99 -12.491 16.788 -14.135 1.00 71.42 C ATOM 1517 OG1 THR A 99 -12.650 15.510 -14.760 1.00 34.35 O ATOM 1518 CG2 THR A 99 -11.597 17.670 -14.993 1.00 61.24 C ATOM 0 H THR A 99 -13.586 15.637 -11.959 1.00 34.14 H new ATOM 0 HA THR A 99 -10.851 16.326 -12.812 1.00 0.23 H new ATOM 0 HB THR A 99 -13.465 17.268 -14.039 1.00 71.42 H new ATOM 0 HG1 THR A 99 -13.029 15.629 -15.656 1.00 34.35 H new ATOM 0 HG21 THR A 99 -12.036 17.778 -15.985 1.00 61.24 H new ATOM 0 HG22 THR A 99 -11.502 18.652 -14.530 1.00 61.24 H new ATOM 0 HG23 THR A 99 -10.611 17.213 -15.080 1.00 61.24 H new ATOM 1526 N VAL A 100 -11.458 17.972 -10.762 1.00 11.24 N ATOM 1527 CA VAL A 100 -11.482 19.179 -9.945 1.00 3.12 C ATOM 1528 C VAL A 100 -10.941 20.376 -10.719 1.00 21.32 C ATOM 1529 O VAL A 100 -9.820 20.345 -11.228 1.00 21.32 O ATOM 1530 CB VAL A 100 -10.659 19.002 -8.656 1.00 1.40 C ATOM 1531 CG1 VAL A 100 -10.801 20.222 -7.759 1.00 50.32 C ATOM 1532 CG2 VAL A 100 -11.084 17.738 -7.923 1.00 70.32 C ATOM 0 H VAL A 100 -11.001 17.174 -10.321 1.00 11.24 H new ATOM 0 HA VAL A 100 -12.523 19.361 -9.680 1.00 3.12 H new ATOM 0 HB VAL A 100 -9.608 18.902 -8.927 1.00 1.40 H new ATOM 0 HG11 VAL A 100 -10.212 20.078 -6.853 1.00 50.32 H new ATOM 0 HG12 VAL A 100 -10.444 21.106 -8.287 1.00 50.32 H new ATOM 0 HG13 VAL A 100 -11.849 20.358 -7.493 1.00 50.32 H new ATOM 0 HG21 VAL A 100 -10.492 17.628 -7.014 1.00 70.32 H new ATOM 0 HG22 VAL A 100 -12.140 17.806 -7.662 1.00 70.32 H new ATOM 0 HG23 VAL A 100 -10.924 16.873 -8.567 1.00 70.32 H new ATOM 1542 N SER A 101 -11.746 21.431 -10.805 1.00 40.10 N ATOM 1543 CA SER A 101 -11.349 22.638 -11.520 1.00 74.20 C ATOM 1544 C SER A 101 -10.303 23.418 -10.730 1.00 43.12 C ATOM 1545 O SER A 101 -9.331 23.922 -11.295 1.00 55.45 O ATOM 1546 CB SER A 101 -12.570 23.523 -11.784 1.00 50.25 C ATOM 1547 OG SER A 101 -13.061 23.335 -13.099 1.00 20.22 O ATOM 0 H SER A 101 -12.676 21.474 -10.389 1.00 40.10 H new ATOM 0 HA SER A 101 -10.911 22.340 -12.473 1.00 74.20 H new ATOM 0 HB2 SER A 101 -13.354 23.291 -11.063 1.00 50.25 H new ATOM 0 HB3 SER A 101 -12.303 24.570 -11.638 1.00 50.25 H new ATOM 0 HG SER A 101 -13.842 23.910 -13.242 1.00 20.22 H new ATOM 1553 N THR A 102 -10.509 23.515 -9.420 1.00 44.43 N ATOM 1554 CA THR A 102 -9.584 24.234 -8.552 1.00 4.11 C ATOM 1555 C THR A 102 -9.455 23.547 -7.198 1.00 23.35 C ATOM 1556 O THR A 102 -10.398 22.919 -6.718 1.00 34.22 O ATOM 1557 CB THR A 102 -10.035 25.691 -8.336 1.00 50.41 C ATOM 1558 OG1 THR A 102 -11.177 25.727 -7.473 1.00 21.11 O ATOM 1559 CG2 THR A 102 -10.374 26.355 -9.662 1.00 33.14 C ATOM 0 H THR A 102 -11.308 23.105 -8.937 1.00 44.43 H new ATOM 0 HA THR A 102 -8.615 24.232 -9.051 1.00 4.11 H new ATOM 0 HB THR A 102 -9.213 26.238 -7.874 1.00 50.41 H new ATOM 0 HG1 THR A 102 -11.457 26.657 -7.339 1.00 21.11 H new ATOM 0 HG21 THR A 102 -10.690 27.383 -9.484 1.00 33.14 H new ATOM 0 HG22 THR A 102 -9.494 26.352 -10.306 1.00 33.14 H new ATOM 0 HG23 THR A 102 -11.181 25.807 -10.148 1.00 33.14 H new ATOM 1567 N ALA A 103 -8.282 23.672 -6.585 1.00 23.42 N ATOM 1568 CA ALA A 103 -8.032 23.065 -5.284 1.00 72.04 C ATOM 1569 C ALA A 103 -9.120 23.441 -4.284 1.00 62.15 C ATOM 1570 O ALA A 103 -9.528 22.624 -3.460 1.00 30.32 O ATOM 1571 CB ALA A 103 -6.665 23.482 -4.762 1.00 31.43 C ATOM 0 H ALA A 103 -7.490 24.188 -6.969 1.00 23.42 H new ATOM 0 HA ALA A 103 -8.047 21.982 -5.407 1.00 72.04 H new ATOM 0 HB1 ALA A 103 -6.491 23.022 -3.789 1.00 31.43 H new ATOM 0 HB2 ALA A 103 -5.894 23.157 -5.461 1.00 31.43 H new ATOM 0 HB3 ALA A 103 -6.629 24.567 -4.661 1.00 31.43 H new ATOM 1577 N ALA A 104 -9.585 24.684 -4.362 1.00 24.31 N ATOM 1578 CA ALA A 104 -10.627 25.168 -3.465 1.00 43.10 C ATOM 1579 C ALA A 104 -11.930 24.403 -3.674 1.00 40.11 C ATOM 1580 O ALA A 104 -12.532 23.914 -2.719 1.00 2.33 O ATOM 1581 CB ALA A 104 -10.849 26.659 -3.670 1.00 23.02 C ATOM 0 H ALA A 104 -9.256 25.374 -5.037 1.00 24.31 H new ATOM 0 HA ALA A 104 -10.297 24.999 -2.440 1.00 43.10 H new ATOM 0 HB1 ALA A 104 -11.630 27.007 -2.994 1.00 23.02 H new ATOM 0 HB2 ALA A 104 -9.924 27.196 -3.463 1.00 23.02 H new ATOM 0 HB3 ALA A 104 -11.153 26.843 -4.700 1.00 23.02 H new ATOM 1587 N ALA A 105 -12.359 24.307 -4.928 1.00 34.15 N ATOM 1588 CA ALA A 105 -13.590 23.601 -5.261 1.00 12.03 C ATOM 1589 C ALA A 105 -13.585 22.187 -4.689 1.00 12.53 C ATOM 1590 O ALA A 105 -14.599 21.707 -4.185 1.00 72.52 O ATOM 1591 CB ALA A 105 -13.785 23.561 -6.770 1.00 14.51 C ATOM 0 H ALA A 105 -11.873 24.709 -5.729 1.00 34.15 H new ATOM 0 HA ALA A 105 -14.422 24.143 -4.812 1.00 12.03 H new ATOM 0 HB1 ALA A 105 -14.708 23.031 -7.004 1.00 14.51 H new ATOM 0 HB2 ALA A 105 -13.843 24.579 -7.156 1.00 14.51 H new ATOM 0 HB3 ALA A 105 -12.943 23.045 -7.232 1.00 14.51 H new ATOM 1597 N ALA A 106 -12.435 21.525 -4.773 1.00 35.10 N ATOM 1598 CA ALA A 106 -12.297 20.166 -4.262 1.00 31.30 C ATOM 1599 C ALA A 106 -12.527 20.120 -2.755 1.00 61.04 C ATOM 1600 O ALA A 106 -13.310 19.310 -2.263 1.00 1.23 O ATOM 1601 CB ALA A 106 -10.924 19.610 -4.607 1.00 55.24 C ATOM 0 H ALA A 106 -11.586 21.907 -5.190 1.00 35.10 H new ATOM 0 HA ALA A 106 -13.057 19.546 -4.737 1.00 31.30 H new ATOM 0 HB1 ALA A 106 -10.835 18.595 -4.220 1.00 55.24 H new ATOM 0 HB2 ALA A 106 -10.798 19.598 -5.690 1.00 55.24 H new ATOM 0 HB3 ALA A 106 -10.154 20.238 -4.159 1.00 55.24 H new ATOM 1607 N GLU A 107 -11.837 20.995 -2.030 1.00 31.30 N ATOM 1608 CA GLU A 107 -11.966 21.051 -0.578 1.00 44.31 C ATOM 1609 C GLU A 107 -13.417 21.282 -0.169 1.00 35.21 C ATOM 1610 O GLU A 107 -13.939 20.606 0.717 1.00 1.24 O ATOM 1611 CB GLU A 107 -11.081 22.162 -0.008 1.00 61.45 C ATOM 1612 CG GLU A 107 -11.164 22.291 1.504 1.00 65.15 C ATOM 1613 CD GLU A 107 -10.605 23.608 2.007 1.00 15.54 C ATOM 1614 OE1 GLU A 107 -11.290 24.641 1.854 1.00 25.10 O ATOM 1615 OE2 GLU A 107 -9.483 23.606 2.555 1.00 14.22 O ATOM 0 H GLU A 107 -11.184 21.673 -2.423 1.00 31.30 H new ATOM 0 HA GLU A 107 -11.641 20.093 -0.173 1.00 44.31 H new ATOM 0 HB2 GLU A 107 -10.046 21.972 -0.292 1.00 61.45 H new ATOM 0 HB3 GLU A 107 -11.367 23.111 -0.461 1.00 61.45 H new ATOM 0 HG2 GLU A 107 -12.204 22.199 1.817 1.00 65.15 H new ATOM 0 HG3 GLU A 107 -10.618 21.468 1.966 1.00 65.15 H new ATOM 1622 N ASN A 108 -14.064 22.243 -0.821 1.00 22.44 N ATOM 1623 CA ASN A 108 -15.456 22.565 -0.524 1.00 3.52 C ATOM 1624 C ASN A 108 -16.347 21.339 -0.701 1.00 11.43 C ATOM 1625 O ASN A 108 -17.272 21.114 0.079 1.00 3.24 O ATOM 1626 CB ASN A 108 -15.943 23.697 -1.430 1.00 42.32 C ATOM 1627 CG ASN A 108 -16.263 24.960 -0.655 1.00 53.11 C ATOM 1628 OD1 ASN A 108 -15.403 25.516 0.031 1.00 20.43 O ATOM 1629 ND2 ASN A 108 -17.504 25.421 -0.760 1.00 35.22 N ATOM 0 H ASN A 108 -13.647 22.812 -1.558 1.00 22.44 H new ATOM 0 HA ASN A 108 -15.515 22.889 0.515 1.00 3.52 H new ATOM 0 HB2 ASN A 108 -15.179 23.916 -2.176 1.00 42.32 H new ATOM 0 HB3 ASN A 108 -16.832 23.370 -1.970 1.00 42.32 H new ATOM 0 HD21 ASN A 108 -17.777 26.268 -0.261 1.00 35.22 H new ATOM 0 HD22 ASN A 108 -18.184 24.928 -1.339 1.00 35.22 H new ATOM 1636 N MET A 109 -16.060 20.549 -1.731 1.00 23.44 N ATOM 1637 CA MET A 109 -16.834 19.345 -2.008 1.00 24.43 C ATOM 1638 C MET A 109 -16.579 18.278 -0.949 1.00 31.23 C ATOM 1639 O MET A 109 -17.509 17.629 -0.472 1.00 34.44 O ATOM 1640 CB MET A 109 -16.487 18.797 -3.395 1.00 73.54 C ATOM 1641 CG MET A 109 -17.693 18.284 -4.165 1.00 35.40 C ATOM 1642 SD MET A 109 -18.517 16.913 -3.332 1.00 75.12 S ATOM 1643 CE MET A 109 -17.192 15.710 -3.270 1.00 11.41 C ATOM 0 H MET A 109 -15.298 20.721 -2.387 1.00 23.44 H new ATOM 0 HA MET A 109 -17.891 19.610 -1.984 1.00 24.43 H new ATOM 0 HB2 MET A 109 -16.002 19.582 -3.976 1.00 73.54 H new ATOM 0 HB3 MET A 109 -15.764 17.988 -3.287 1.00 73.54 H new ATOM 0 HG2 MET A 109 -18.403 19.099 -4.305 1.00 35.40 H new ATOM 0 HG3 MET A 109 -17.376 17.963 -5.157 1.00 35.40 H new ATOM 0 HE1 MET A 109 -17.602 14.709 -3.407 1.00 11.41 H new ATOM 0 HE2 MET A 109 -16.473 15.919 -4.063 1.00 11.41 H new ATOM 0 HE3 MET A 109 -16.693 15.768 -2.303 1.00 11.41 H new ATOM 1653 N TYR A 110 -15.313 18.102 -0.587 1.00 0.13 N ATOM 1654 CA TYR A 110 -14.935 17.111 0.414 1.00 64.52 C ATOM 1655 C TYR A 110 -15.723 17.313 1.705 1.00 63.13 C ATOM 1656 O TYR A 110 -16.195 16.354 2.314 1.00 31.02 O ATOM 1657 CB TYR A 110 -13.435 17.192 0.701 1.00 45.22 C ATOM 1658 CG TYR A 110 -12.744 15.847 0.694 1.00 64.11 C ATOM 1659 CD1 TYR A 110 -12.539 15.156 -0.495 1.00 15.32 C ATOM 1660 CD2 TYR A 110 -12.297 15.267 1.874 1.00 14.11 C ATOM 1661 CE1 TYR A 110 -11.909 13.926 -0.506 1.00 71.30 C ATOM 1662 CE2 TYR A 110 -11.665 14.039 1.872 1.00 15.12 C ATOM 1663 CZ TYR A 110 -11.473 13.373 0.680 1.00 22.20 C ATOM 1664 OH TYR A 110 -10.844 12.149 0.674 1.00 31.44 O ATOM 0 H TYR A 110 -14.531 18.632 -0.972 1.00 0.13 H new ATOM 0 HA TYR A 110 -15.169 16.123 0.017 1.00 64.52 H new ATOM 0 HB2 TYR A 110 -12.966 17.836 -0.042 1.00 45.22 H new ATOM 0 HB3 TYR A 110 -13.284 17.664 1.672 1.00 45.22 H new ATOM 0 HD1 TYR A 110 -12.878 15.588 -1.425 1.00 15.32 H new ATOM 0 HD2 TYR A 110 -12.446 15.785 2.810 1.00 14.11 H new ATOM 0 HE1 TYR A 110 -11.759 13.401 -1.438 1.00 71.30 H new ATOM 0 HE2 TYR A 110 -11.323 13.603 2.799 1.00 15.12 H new ATOM 0 HH TYR A 110 -10.599 11.903 1.590 1.00 31.44 H new ATOM 1674 N SER A 111 -15.861 18.570 2.116 1.00 4.02 N ATOM 1675 CA SER A 111 -16.588 18.900 3.335 1.00 33.41 C ATOM 1676 C SER A 111 -18.090 18.945 3.076 1.00 33.42 C ATOM 1677 O SER A 111 -18.889 18.541 3.922 1.00 3.13 O ATOM 1678 CB SER A 111 -16.113 20.245 3.889 1.00 33.32 C ATOM 1679 OG SER A 111 -16.115 21.241 2.880 1.00 54.10 O ATOM 0 H SER A 111 -15.478 19.376 1.622 1.00 4.02 H new ATOM 0 HA SER A 111 -16.387 18.121 4.071 1.00 33.41 H new ATOM 0 HB2 SER A 111 -16.761 20.553 4.710 1.00 33.32 H new ATOM 0 HB3 SER A 111 -15.108 20.139 4.298 1.00 33.32 H new ATOM 0 HG SER A 111 -15.809 22.091 3.259 1.00 54.10 H new ATOM 1685 N GLN A 112 -18.468 19.440 1.903 1.00 43.12 N ATOM 1686 CA GLN A 112 -19.875 19.539 1.532 1.00 52.31 C ATOM 1687 C GLN A 112 -20.537 18.165 1.535 1.00 11.13 C ATOM 1688 O GLN A 112 -21.726 18.039 1.825 1.00 44.11 O ATOM 1689 CB GLN A 112 -20.017 20.183 0.152 1.00 62.05 C ATOM 1690 CG GLN A 112 -21.450 20.237 -0.351 1.00 74.10 C ATOM 1691 CD GLN A 112 -21.745 21.496 -1.142 1.00 12.14 C ATOM 1692 OE1 GLN A 112 -21.244 22.575 -0.823 1.00 55.02 O ATOM 1693 NE2 GLN A 112 -22.560 21.365 -2.181 1.00 62.42 N ATOM 0 H GLN A 112 -17.820 19.779 1.192 1.00 43.12 H new ATOM 0 HA GLN A 112 -20.376 20.165 2.271 1.00 52.31 H new ATOM 0 HB2 GLN A 112 -19.616 21.196 0.190 1.00 62.05 H new ATOM 0 HB3 GLN A 112 -19.411 19.627 -0.563 1.00 62.05 H new ATOM 0 HG2 GLN A 112 -21.644 19.366 -0.977 1.00 74.10 H new ATOM 0 HG3 GLN A 112 -22.131 20.178 0.498 1.00 74.10 H new ATOM 0 HE21 GLN A 112 -22.953 20.452 -2.409 1.00 62.42 H new ATOM 0 HE22 GLN A 112 -22.794 22.178 -2.751 1.00 62.42 H new ATOM 1702 N MET A 113 -19.758 17.138 1.210 1.00 64.03 N ATOM 1703 CA MET A 113 -20.269 15.772 1.177 1.00 65.23 C ATOM 1704 C MET A 113 -20.283 15.163 2.574 1.00 15.25 C ATOM 1705 O MET A 113 -21.023 14.217 2.843 1.00 64.13 O ATOM 1706 CB MET A 113 -19.421 14.910 0.240 1.00 63.24 C ATOM 1707 CG MET A 113 -20.228 14.221 -0.849 1.00 2.11 C ATOM 1708 SD MET A 113 -19.657 12.543 -1.179 1.00 25.13 S ATOM 1709 CE MET A 113 -19.662 12.530 -2.970 1.00 50.14 C ATOM 0 H MET A 113 -18.771 17.226 0.966 1.00 64.03 H new ATOM 0 HA MET A 113 -21.293 15.803 0.804 1.00 65.23 H new ATOM 0 HB2 MET A 113 -18.658 15.535 -0.225 1.00 63.24 H new ATOM 0 HB3 MET A 113 -18.899 14.154 0.827 1.00 63.24 H new ATOM 0 HG2 MET A 113 -21.277 14.193 -0.555 1.00 2.11 H new ATOM 0 HG3 MET A 113 -20.169 14.808 -1.766 1.00 2.11 H new ATOM 0 HE1 MET A 113 -20.084 11.590 -3.326 1.00 50.14 H new ATOM 0 HE2 MET A 113 -20.265 13.360 -3.338 1.00 50.14 H new ATOM 0 HE3 MET A 113 -18.641 12.632 -3.337 1.00 50.14 H new ATOM 1719 N GLY A 114 -19.458 15.710 3.462 1.00 33.14 N ATOM 1720 CA GLY A 114 -19.391 15.206 4.822 1.00 43.21 C ATOM 1721 C GLY A 114 -18.135 14.396 5.079 1.00 71.02 C ATOM 1722 O GLY A 114 -18.113 13.533 5.957 1.00 5.22 O ATOM 0 H GLY A 114 -18.835 16.493 3.264 1.00 33.14 H new ATOM 0 HA2 GLY A 114 -19.429 16.043 5.519 1.00 43.21 H new ATOM 0 HA3 GLY A 114 -20.266 14.587 5.020 1.00 43.21 H new ATOM 1726 N LEU A 115 -17.087 14.674 4.311 1.00 62.14 N ATOM 1727 CA LEU A 115 -15.821 13.964 4.459 1.00 22.20 C ATOM 1728 C LEU A 115 -14.873 14.728 5.377 1.00 54.10 C ATOM 1729 O LEU A 115 -14.085 14.128 6.110 1.00 72.22 O ATOM 1730 CB LEU A 115 -15.168 13.756 3.091 1.00 75.25 C ATOM 1731 CG LEU A 115 -16.117 13.440 1.935 1.00 62.11 C ATOM 1732 CD1 LEU A 115 -15.383 13.519 0.605 1.00 71.31 C ATOM 1733 CD2 LEU A 115 -16.742 12.065 2.120 1.00 74.20 C ATOM 0 H LEU A 115 -17.089 15.385 3.580 1.00 62.14 H new ATOM 0 HA LEU A 115 -16.027 12.992 4.908 1.00 22.20 H new ATOM 0 HB2 LEU A 115 -14.607 14.656 2.838 1.00 75.25 H new ATOM 0 HB3 LEU A 115 -14.447 12.943 3.175 1.00 75.25 H new ATOM 0 HG LEU A 115 -16.915 14.183 1.931 1.00 62.11 H new ATOM 0 HD11 LEU A 115 -16.074 13.291 -0.206 1.00 71.31 H new ATOM 0 HD12 LEU A 115 -14.983 14.524 0.469 1.00 71.31 H new ATOM 0 HD13 LEU A 115 -14.565 12.799 0.598 1.00 71.31 H new ATOM 0 HD21 LEU A 115 -17.415 11.856 1.288 1.00 74.20 H new ATOM 0 HD22 LEU A 115 -15.957 11.310 2.150 1.00 74.20 H new ATOM 0 HD23 LEU A 115 -17.303 12.043 3.054 1.00 74.20 H new ATOM 1745 N ASP A 116 -14.955 16.053 5.335 1.00 0.51 N ATOM 1746 CA ASP A 116 -14.106 16.899 6.167 1.00 2.05 C ATOM 1747 C ASP A 116 -14.948 17.751 7.111 1.00 53.41 C ATOM 1748 O ASP A 116 -14.774 18.968 7.188 1.00 31.50 O ATOM 1749 CB ASP A 116 -13.232 17.797 5.291 1.00 14.40 C ATOM 1750 CG ASP A 116 -11.983 18.267 6.011 1.00 41.44 C ATOM 1751 OD1 ASP A 116 -11.625 19.455 5.863 1.00 42.15 O ATOM 1752 OD2 ASP A 116 -11.364 17.449 6.722 1.00 4.35 O ATOM 0 H ASP A 116 -15.601 16.565 4.734 1.00 0.51 H new ATOM 0 HA ASP A 116 -13.464 16.253 6.765 1.00 2.05 H new ATOM 0 HB2 ASP A 116 -12.946 17.254 4.390 1.00 14.40 H new ATOM 0 HB3 ASP A 116 -13.811 18.663 4.971 1.00 14.40 H new ATOM 1757 N THR A 117 -15.861 17.104 7.829 1.00 61.25 N ATOM 1758 CA THR A 117 -16.731 17.803 8.766 1.00 35.01 C ATOM 1759 C THR A 117 -16.884 17.018 10.064 1.00 51.05 C ATOM 1760 O THR A 117 -16.298 15.947 10.225 1.00 55.03 O ATOM 1761 CB THR A 117 -18.126 18.050 8.162 1.00 42.24 C ATOM 1762 OG1 THR A 117 -18.102 17.792 6.754 1.00 43.41 O ATOM 1763 CG2 THR A 117 -18.579 19.481 8.412 1.00 15.34 C ATOM 0 H THR A 117 -16.017 16.097 7.779 1.00 61.25 H new ATOM 0 HA THR A 117 -16.260 18.763 8.978 1.00 35.01 H new ATOM 0 HB THR A 117 -18.831 17.373 8.644 1.00 42.24 H new ATOM 0 HG1 THR A 117 -18.675 18.440 6.293 1.00 43.41 H new ATOM 0 HG21 THR A 117 -19.567 19.631 7.976 1.00 15.34 H new ATOM 0 HG22 THR A 117 -18.624 19.666 9.485 1.00 15.34 H new ATOM 0 HG23 THR A 117 -17.871 20.172 7.954 1.00 15.34 H new ATOM 1771 N ARG A 118 -17.675 17.556 10.987 1.00 61.31 N ATOM 1772 CA ARG A 118 -17.904 16.906 12.271 1.00 32.35 C ATOM 1773 C ARG A 118 -19.382 16.573 12.456 1.00 40.13 C ATOM 1774 O ARG A 118 -20.095 17.213 13.229 1.00 33.25 O ATOM 1775 CB ARG A 118 -17.426 17.803 13.414 1.00 1.41 C ATOM 1776 CG ARG A 118 -17.356 17.093 14.757 1.00 61.44 C ATOM 1777 CD ARG A 118 -17.684 18.037 15.903 1.00 23.12 C ATOM 1778 NE ARG A 118 -17.762 17.337 17.183 1.00 50.25 N ATOM 1779 CZ ARG A 118 -18.183 17.906 18.306 1.00 54.14 C ATOM 1780 NH1 ARG A 118 -18.563 19.177 18.308 1.00 32.31 N ATOM 1781 NH2 ARG A 118 -18.225 17.204 19.432 1.00 61.34 N ATOM 0 H ARG A 118 -18.168 18.441 10.869 1.00 61.31 H new ATOM 0 HA ARG A 118 -17.335 15.977 12.285 1.00 32.35 H new ATOM 0 HB2 ARG A 118 -16.439 18.196 13.168 1.00 1.41 H new ATOM 0 HB3 ARG A 118 -18.097 18.658 13.499 1.00 1.41 H new ATOM 0 HG2 ARG A 118 -18.053 16.255 14.764 1.00 61.44 H new ATOM 0 HG3 ARG A 118 -16.358 16.679 14.899 1.00 61.44 H new ATOM 0 HD2 ARG A 118 -16.923 18.815 15.961 1.00 23.12 H new ATOM 0 HD3 ARG A 118 -18.633 18.534 15.703 1.00 23.12 H new ATOM 0 HE ARG A 118 -17.478 16.358 17.216 1.00 50.25 H new ATOM 0 HH11 ARG A 118 -18.532 19.720 17.445 1.00 32.31 H new ATOM 0 HH12 ARG A 118 -18.886 19.611 19.173 1.00 32.31 H new ATOM 0 HH21 ARG A 118 -17.934 16.227 19.435 1.00 61.34 H new ATOM 0 HH22 ARG A 118 -18.549 17.642 20.294 1.00 61.34 H new ATOM 1795 N PRO A 119 -19.854 15.549 11.729 1.00 74.24 N ATOM 1796 CA PRO A 119 -21.250 15.109 11.796 1.00 63.32 C ATOM 1797 C PRO A 119 -21.587 14.446 13.127 1.00 63.14 C ATOM 1798 O PRO A 119 -22.751 14.181 13.422 1.00 30.42 O ATOM 1799 CB PRO A 119 -21.358 14.097 10.652 1.00 21.30 C ATOM 1800 CG PRO A 119 -19.970 13.590 10.464 1.00 23.40 C ATOM 1801 CD PRO A 119 -19.061 14.743 10.786 1.00 53.23 C ATOM 0 HA PRO A 119 -21.945 15.945 11.712 1.00 63.32 H new ATOM 0 HB2 PRO A 119 -22.045 13.288 10.902 1.00 21.30 H new ATOM 0 HB3 PRO A 119 -21.735 14.566 9.743 1.00 21.30 H new ATOM 0 HG2 PRO A 119 -19.772 12.742 11.120 1.00 23.40 H new ATOM 0 HG3 PRO A 119 -19.816 13.245 9.442 1.00 23.40 H new ATOM 0 HD2 PRO A 119 -18.126 14.405 11.233 1.00 53.23 H new ATOM 0 HD3 PRO A 119 -18.800 15.311 9.893 1.00 53.23 H new TER 1809 PRO A 119