USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1040 hydrogens (8 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: B 44 THR OG1 : rot 147:sc= 1.1 USER MOD Set 1.2: B 47 SER OG : rot -82:sc= 0.452! USER MOD Set 2.1: A 44 THR OG1 : rot -103:sc= 0.417! USER MOD Set 2.2: A 47 SER OG : rot 160:sc= 0.998! USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.141 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 166:sc= -0.325 USER MOD Single : A 14 SER OG : rot -96:sc= 1.8 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 88:sc= 0.396 USER MOD Single : A 19 LYS NZ :NH3+ -144:sc= -1.77 (180deg=-4.3!) USER MOD Single : A 23 ASN : amide:sc= -4.77! K(o=-4.8!,f=-0.84) USER MOD Single : A 28 TYR OH : rot -49:sc= 0.681 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 47:sc= -1.1 USER MOD Single : A 32 SER OG : rot -120:sc= -0.224 USER MOD Single : A 33 SER OG : rot 180:sc= -0.154 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc=-0.00627 X(o=-0.0063,f=0) USER MOD Single : A 43 GLN : amide:sc= -7.05! C(o=-7.1!,f=-17!) USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= -0.66 (180deg=-1.19) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -4.86! C(o=-4.9!,f=-3.1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.184 K(o=-0.18,f=-1) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -1.15 K(o=-1.2,f=-0.028) USER MOD Single : B 1 ALA N :NH3+ -108:sc= 0.153 (180deg=0) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 164:sc= -0.317 USER MOD Single : B 14 SER OG : rot -97:sc= 1.72 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 89:sc= 0.429 USER MOD Single : B 19 LYS NZ :NH3+ -145:sc= -1.78 (180deg=-4.31!) USER MOD Single : B 23 ASN : amide:sc= -4.86! K(o=-4.9!,f=-0.88) USER MOD Single : B 28 TYR OH : rot -49:sc= 0.688 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 28:sc= -0.954 USER MOD Single : B 32 SER OG : rot -120:sc= -0.228 USER MOD Single : B 33 SER OG : rot 180:sc= -0.147 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc=-0.00736 X(o=-0.0074,f=0) USER MOD Single : B 43 GLN : amide:sc= -7.06! C(o=-7.1!,f=-17!) USER MOD Single : B 45 LYS NZ :NH3+ 167:sc= -0.661 (180deg=-1.19) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -4.79! C(o=-4.8!,f=-3.1!) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= -0.114 K(o=-0.11,f=-1) USER MOD Single : B 62 TYR OH : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.0085) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.366 19.493 -10.079 1.00 3.98 N ATOM 2 CA ALA A 1 -8.504 18.691 -10.612 1.00 3.41 C ATOM 3 C ALA A 1 -9.090 17.840 -9.467 1.00 2.89 C ATOM 4 O ALA A 1 -8.447 17.668 -8.450 1.00 2.91 O ATOM 5 CB ALA A 1 -7.986 17.791 -11.757 1.00 3.83 C ATOM 0 H1 ALA A 1 -7.615 20.503 -10.095 1.00 3.98 H new ATOM 0 H2 ALA A 1 -7.164 19.202 -9.101 1.00 3.98 H new ATOM 0 H3 ALA A 1 -6.524 19.335 -10.668 1.00 3.98 H new ATOM 0 HA ALA A 1 -9.287 19.340 -11.003 1.00 3.41 H new ATOM 0 HB1 ALA A 1 -8.810 17.199 -12.155 1.00 3.83 H new ATOM 0 HB2 ALA A 1 -7.570 18.413 -12.549 1.00 3.83 H new ATOM 0 HB3 ALA A 1 -7.212 17.125 -11.375 1.00 3.83 H new ATOM 13 N PRO A 2 -10.288 17.324 -9.655 1.00 2.53 N ATOM 14 CA PRO A 2 -10.937 16.489 -8.626 1.00 2.14 C ATOM 15 C PRO A 2 -10.078 15.247 -8.346 1.00 1.85 C ATOM 16 O PRO A 2 -9.988 14.349 -9.161 1.00 1.89 O ATOM 17 CB PRO A 2 -12.306 16.099 -9.234 1.00 1.96 C ATOM 18 CG PRO A 2 -12.322 16.612 -10.702 1.00 2.21 C ATOM 19 CD PRO A 2 -11.086 17.520 -10.887 1.00 2.60 C ATOM 0 HA PRO A 2 -11.057 17.007 -7.675 1.00 2.14 H new ATOM 0 HB2 PRO A 2 -12.447 15.019 -9.203 1.00 1.96 H new ATOM 0 HB3 PRO A 2 -13.121 16.543 -8.663 1.00 1.96 H new ATOM 0 HG2 PRO A 2 -12.292 15.776 -11.401 1.00 2.21 H new ATOM 0 HG3 PRO A 2 -13.239 17.165 -10.905 1.00 2.21 H new ATOM 0 HD2 PRO A 2 -10.519 17.241 -11.775 1.00 2.60 H new ATOM 0 HD3 PRO A 2 -11.376 18.564 -11.009 1.00 2.60 H new ATOM 27 N MET A 3 -9.455 15.185 -7.203 1.00 1.69 N ATOM 28 CA MET A 3 -8.616 13.998 -6.879 1.00 1.53 C ATOM 29 C MET A 3 -9.526 12.849 -6.443 1.00 1.17 C ATOM 30 O MET A 3 -10.672 13.054 -6.098 1.00 0.99 O ATOM 31 CB MET A 3 -7.650 14.346 -5.745 1.00 1.63 C ATOM 32 CG MET A 3 -8.442 14.830 -4.528 1.00 2.15 C ATOM 33 SD MET A 3 -7.294 15.362 -3.234 1.00 2.54 S ATOM 34 CE MET A 3 -8.371 16.600 -2.470 1.00 3.59 C ATOM 0 H MET A 3 -9.490 15.904 -6.480 1.00 1.69 H new ATOM 0 HA MET A 3 -8.043 13.701 -7.758 1.00 1.53 H new ATOM 0 HB2 MET A 3 -7.054 13.473 -5.480 1.00 1.63 H new ATOM 0 HB3 MET A 3 -6.955 15.120 -6.070 1.00 1.63 H new ATOM 0 HG2 MET A 3 -9.096 15.655 -4.811 1.00 2.15 H new ATOM 0 HG3 MET A 3 -9.082 14.030 -4.155 1.00 2.15 H new ATOM 0 HE1 MET A 3 -7.853 17.064 -1.631 1.00 3.59 H new ATOM 0 HE2 MET A 3 -8.627 17.363 -3.205 1.00 3.59 H new ATOM 0 HE3 MET A 3 -9.282 16.119 -2.113 1.00 3.59 H new ATOM 44 N GLY A 4 -9.031 11.642 -6.457 1.00 1.14 N ATOM 45 CA GLY A 4 -9.883 10.491 -6.042 1.00 0.89 C ATOM 46 C GLY A 4 -10.438 10.751 -4.639 1.00 0.62 C ATOM 47 O GLY A 4 -10.310 11.834 -4.105 1.00 0.70 O ATOM 0 H GLY A 4 -8.079 11.403 -6.736 1.00 1.14 H new ATOM 0 HA2 GLY A 4 -10.701 10.356 -6.750 1.00 0.89 H new ATOM 0 HA3 GLY A 4 -9.299 9.570 -6.050 1.00 0.89 H new ATOM 51 N SER A 5 -11.066 9.773 -4.040 1.00 0.44 N ATOM 52 CA SER A 5 -11.642 9.976 -2.676 1.00 0.30 C ATOM 53 C SER A 5 -10.598 9.641 -1.595 1.00 0.27 C ATOM 54 O SER A 5 -10.006 10.524 -1.005 1.00 0.30 O ATOM 55 CB SER A 5 -12.894 9.097 -2.522 1.00 0.49 C ATOM 56 OG SER A 5 -14.031 9.936 -2.361 1.00 1.52 O ATOM 0 H SER A 5 -11.205 8.843 -4.435 1.00 0.44 H new ATOM 0 HA SER A 5 -11.924 11.022 -2.551 1.00 0.30 H new ATOM 0 HB2 SER A 5 -13.017 8.460 -3.398 1.00 0.49 H new ATOM 0 HB3 SER A 5 -12.788 8.438 -1.661 1.00 0.49 H new ATOM 0 HG SER A 5 -14.834 9.383 -2.264 1.00 1.52 H new ATOM 62 N ASP A 6 -10.378 8.380 -1.314 1.00 0.24 N ATOM 63 CA ASP A 6 -9.382 8.016 -0.254 1.00 0.23 C ATOM 64 C ASP A 6 -8.864 6.587 -0.481 1.00 0.21 C ATOM 65 O ASP A 6 -9.236 5.686 0.243 1.00 0.20 O ATOM 66 CB ASP A 6 -10.056 8.081 1.123 1.00 0.25 C ATOM 67 CG ASP A 6 -10.845 9.385 1.251 1.00 1.26 C ATOM 68 OD1 ASP A 6 -10.220 10.417 1.427 1.00 2.00 O ATOM 69 OD2 ASP A 6 -12.062 9.329 1.172 1.00 2.03 O ATOM 0 H ASP A 6 -10.840 7.592 -1.767 1.00 0.24 H new ATOM 0 HA ASP A 6 -8.549 8.717 -0.300 1.00 0.23 H new ATOM 0 HB2 ASP A 6 -10.722 7.228 1.253 1.00 0.25 H new ATOM 0 HB3 ASP A 6 -9.304 8.021 1.910 1.00 0.25 H new ATOM 74 N PRO A 7 -8.021 6.411 -1.475 1.00 0.22 N ATOM 75 CA PRO A 7 -7.462 5.080 -1.784 1.00 0.22 C ATOM 76 C PRO A 7 -6.544 4.614 -0.629 1.00 0.20 C ATOM 77 O PRO A 7 -6.178 5.409 0.215 1.00 0.20 O ATOM 78 CB PRO A 7 -6.662 5.283 -3.095 1.00 0.25 C ATOM 79 CG PRO A 7 -6.750 6.794 -3.469 1.00 0.27 C ATOM 80 CD PRO A 7 -7.569 7.501 -2.366 1.00 0.26 C ATOM 0 HA PRO A 7 -8.228 4.313 -1.899 1.00 0.22 H new ATOM 0 HB2 PRO A 7 -5.623 4.981 -2.961 1.00 0.25 H new ATOM 0 HB3 PRO A 7 -7.073 4.666 -3.894 1.00 0.25 H new ATOM 0 HG2 PRO A 7 -5.753 7.229 -3.544 1.00 0.27 H new ATOM 0 HG3 PRO A 7 -7.227 6.921 -4.441 1.00 0.27 H new ATOM 0 HD2 PRO A 7 -6.961 8.227 -1.826 1.00 0.26 H new ATOM 0 HD3 PRO A 7 -8.415 8.044 -2.788 1.00 0.26 H new ATOM 88 N PRO A 8 -6.186 3.343 -0.628 1.00 0.21 N ATOM 89 CA PRO A 8 -5.301 2.782 0.417 1.00 0.22 C ATOM 90 C PRO A 8 -3.932 3.479 0.375 1.00 0.22 C ATOM 91 O PRO A 8 -3.798 4.579 -0.125 1.00 0.22 O ATOM 92 CB PRO A 8 -5.176 1.278 0.064 1.00 0.24 C ATOM 93 CG PRO A 8 -5.878 1.065 -1.309 1.00 0.26 C ATOM 94 CD PRO A 8 -6.631 2.369 -1.649 1.00 0.24 C ATOM 0 HA PRO A 8 -5.692 2.926 1.424 1.00 0.22 H new ATOM 0 HB2 PRO A 8 -4.128 0.982 0.010 1.00 0.24 H new ATOM 0 HB3 PRO A 8 -5.642 0.663 0.834 1.00 0.24 H new ATOM 0 HG2 PRO A 8 -5.146 0.832 -2.082 1.00 0.26 H new ATOM 0 HG3 PRO A 8 -6.570 0.224 -1.260 1.00 0.26 H new ATOM 0 HD2 PRO A 8 -6.390 2.713 -2.655 1.00 0.24 H new ATOM 0 HD3 PRO A 8 -7.711 2.223 -1.612 1.00 0.24 H new ATOM 102 N THR A 9 -2.914 2.842 0.896 1.00 0.23 N ATOM 103 CA THR A 9 -1.555 3.460 0.888 1.00 0.24 C ATOM 104 C THR A 9 -0.491 2.363 0.923 1.00 0.24 C ATOM 105 O THR A 9 -0.504 1.495 1.772 1.00 0.25 O ATOM 106 CB THR A 9 -1.396 4.353 2.117 1.00 0.25 C ATOM 107 OG1 THR A 9 -2.539 5.187 2.245 1.00 0.26 O ATOM 108 CG2 THR A 9 -0.143 5.218 1.966 1.00 0.29 C ATOM 0 H THR A 9 -2.966 1.919 1.327 1.00 0.23 H new ATOM 0 HA THR A 9 -1.435 4.055 -0.018 1.00 0.24 H new ATOM 0 HB THR A 9 -1.298 3.732 3.007 1.00 0.25 H new ATOM 0 HG1 THR A 9 -2.553 5.587 3.139 1.00 0.26 H new ATOM 0 HG21 THR A 9 -0.032 5.854 2.844 1.00 0.29 H new ATOM 0 HG22 THR A 9 0.733 4.576 1.870 1.00 0.29 H new ATOM 0 HG23 THR A 9 -0.236 5.841 1.076 1.00 0.29 H new ATOM 116 N ALA A 10 0.431 2.402 0.003 1.00 0.23 N ATOM 117 CA ALA A 10 1.503 1.370 -0.029 1.00 0.23 C ATOM 118 C ALA A 10 2.435 1.558 1.167 1.00 0.22 C ATOM 119 O ALA A 10 3.486 2.157 1.057 1.00 0.27 O ATOM 120 CB ALA A 10 2.302 1.521 -1.321 1.00 0.23 C ATOM 0 H ALA A 10 0.488 3.108 -0.731 1.00 0.23 H new ATOM 0 HA ALA A 10 1.055 0.377 0.017 1.00 0.23 H new ATOM 0 HB1 ALA A 10 3.090 0.768 -1.352 1.00 0.23 H new ATOM 0 HB2 ALA A 10 1.639 1.388 -2.176 1.00 0.23 H new ATOM 0 HB3 ALA A 10 2.748 2.515 -1.359 1.00 0.23 H new ATOM 126 N CYS A 11 2.062 1.038 2.309 1.00 0.25 N ATOM 127 CA CYS A 11 2.923 1.164 3.527 1.00 0.25 C ATOM 128 C CYS A 11 3.523 -0.206 3.845 1.00 0.25 C ATOM 129 O CYS A 11 2.850 -1.216 3.788 1.00 0.26 O ATOM 130 CB CYS A 11 2.068 1.634 4.708 1.00 0.25 C ATOM 131 SG CYS A 11 1.210 3.165 4.261 1.00 0.33 S ATOM 0 H CYS A 11 1.191 0.527 2.452 1.00 0.25 H new ATOM 0 HA CYS A 11 3.719 1.887 3.350 1.00 0.25 H new ATOM 0 HB2 CYS A 11 1.344 0.864 4.976 1.00 0.25 H new ATOM 0 HB3 CYS A 11 2.697 1.799 5.583 1.00 0.25 H new ATOM 136 N CYS A 12 4.786 -0.254 4.167 1.00 0.24 N ATOM 137 CA CYS A 12 5.421 -1.565 4.478 1.00 0.24 C ATOM 138 C CYS A 12 4.894 -2.083 5.816 1.00 0.24 C ATOM 139 O CYS A 12 4.699 -1.331 6.751 1.00 0.27 O ATOM 140 CB CYS A 12 6.941 -1.395 4.558 1.00 0.24 C ATOM 141 SG CYS A 12 7.569 -0.813 2.965 1.00 0.24 S ATOM 0 H CYS A 12 5.404 0.555 4.228 1.00 0.24 H new ATOM 0 HA CYS A 12 5.179 -2.279 3.691 1.00 0.24 H new ATOM 0 HB2 CYS A 12 7.197 -0.684 5.343 1.00 0.24 H new ATOM 0 HB3 CYS A 12 7.410 -2.343 4.821 1.00 0.24 H new ATOM 146 N PHE A 13 4.669 -3.367 5.917 1.00 0.25 N ATOM 147 CA PHE A 13 4.163 -3.955 7.194 1.00 0.27 C ATOM 148 C PHE A 13 5.336 -4.605 7.927 1.00 0.24 C ATOM 149 O PHE A 13 5.280 -4.871 9.111 1.00 0.26 O ATOM 150 CB PHE A 13 3.107 -5.018 6.877 1.00 0.30 C ATOM 151 CG PHE A 13 3.760 -6.168 6.147 1.00 0.31 C ATOM 152 CD1 PHE A 13 4.048 -6.057 4.775 1.00 0.31 C ATOM 153 CD2 PHE A 13 4.088 -7.348 6.844 1.00 0.35 C ATOM 154 CE1 PHE A 13 4.662 -7.124 4.096 1.00 0.34 C ATOM 155 CE2 PHE A 13 4.703 -8.416 6.165 1.00 0.37 C ATOM 156 CZ PHE A 13 4.990 -8.306 4.791 1.00 0.37 C ATOM 0 H PHE A 13 4.815 -4.039 5.164 1.00 0.25 H new ATOM 0 HA PHE A 13 3.717 -3.179 7.816 1.00 0.27 H new ATOM 0 HB2 PHE A 13 2.644 -5.373 7.798 1.00 0.30 H new ATOM 0 HB3 PHE A 13 2.313 -4.588 6.266 1.00 0.30 H new ATOM 0 HD1 PHE A 13 3.797 -5.151 4.243 1.00 0.31 H new ATOM 0 HD2 PHE A 13 3.868 -7.433 7.898 1.00 0.35 H new ATOM 0 HE1 PHE A 13 4.882 -7.038 3.042 1.00 0.34 H new ATOM 0 HE2 PHE A 13 4.955 -9.321 6.698 1.00 0.37 H new ATOM 0 HZ PHE A 13 5.461 -9.126 4.270 1.00 0.37 H new ATOM 166 N SER A 14 6.400 -4.859 7.217 1.00 0.21 N ATOM 167 CA SER A 14 7.596 -5.489 7.840 1.00 0.20 C ATOM 168 C SER A 14 8.824 -5.141 6.999 1.00 0.18 C ATOM 169 O SER A 14 8.875 -4.108 6.362 1.00 0.17 O ATOM 170 CB SER A 14 7.413 -7.006 7.880 1.00 0.20 C ATOM 171 OG SER A 14 7.541 -7.530 6.564 1.00 0.25 O ATOM 0 H SER A 14 6.492 -4.655 6.222 1.00 0.21 H new ATOM 0 HA SER A 14 7.725 -5.120 8.858 1.00 0.20 H new ATOM 0 HB2 SER A 14 8.157 -7.456 8.537 1.00 0.20 H new ATOM 0 HB3 SER A 14 6.434 -7.255 8.289 1.00 0.20 H new ATOM 0 HG SER A 14 6.651 -7.640 6.168 1.00 0.25 H new ATOM 177 N TYR A 15 9.817 -5.988 6.988 1.00 0.19 N ATOM 178 CA TYR A 15 11.040 -5.692 6.183 1.00 0.20 C ATOM 179 C TYR A 15 11.735 -7.003 5.818 1.00 0.24 C ATOM 180 O TYR A 15 11.545 -8.018 6.459 1.00 0.29 O ATOM 181 CB TYR A 15 11.994 -4.817 7.005 1.00 0.22 C ATOM 182 CG TYR A 15 11.205 -3.765 7.745 1.00 0.21 C ATOM 183 CD1 TYR A 15 10.862 -2.559 7.104 1.00 0.21 C ATOM 184 CD2 TYR A 15 10.806 -3.994 9.076 1.00 0.25 C ATOM 185 CE1 TYR A 15 10.122 -1.581 7.796 1.00 0.23 C ATOM 186 CE2 TYR A 15 10.065 -3.016 9.767 1.00 0.28 C ATOM 187 CZ TYR A 15 9.723 -1.810 9.127 1.00 0.27 C ATOM 188 OH TYR A 15 8.997 -0.851 9.804 1.00 0.32 O ATOM 0 H TYR A 15 9.836 -6.870 7.500 1.00 0.19 H new ATOM 0 HA TYR A 15 10.759 -5.163 5.272 1.00 0.20 H new ATOM 0 HB2 TYR A 15 12.551 -5.433 7.712 1.00 0.22 H new ATOM 0 HB3 TYR A 15 12.725 -4.344 6.350 1.00 0.22 H new ATOM 0 HD1 TYR A 15 11.166 -2.384 6.083 1.00 0.21 H new ATOM 0 HD2 TYR A 15 11.068 -4.920 9.567 1.00 0.25 H new ATOM 0 HE1 TYR A 15 9.860 -0.655 7.306 1.00 0.23 H new ATOM 0 HE2 TYR A 15 9.759 -3.191 10.788 1.00 0.28 H new ATOM 0 HH TYR A 15 8.802 -1.168 10.711 1.00 0.32 H new ATOM 198 N THR A 16 12.542 -6.993 4.792 1.00 0.22 N ATOM 199 CA THR A 16 13.244 -8.245 4.399 1.00 0.28 C ATOM 200 C THR A 16 14.126 -8.710 5.559 1.00 0.32 C ATOM 201 O THR A 16 13.865 -8.409 6.707 1.00 0.38 O ATOM 202 CB THR A 16 14.092 -8.000 3.144 1.00 0.28 C ATOM 203 OG1 THR A 16 14.703 -9.217 2.741 1.00 0.39 O ATOM 204 CG2 THR A 16 15.172 -6.954 3.428 1.00 0.27 C ATOM 0 H THR A 16 12.744 -6.178 4.213 1.00 0.22 H new ATOM 0 HA THR A 16 12.512 -9.020 4.172 1.00 0.28 H new ATOM 0 HB THR A 16 13.446 -7.631 2.347 1.00 0.28 H new ATOM 0 HG1 THR A 16 14.101 -9.701 2.138 1.00 0.39 H new ATOM 0 HG21 THR A 16 15.766 -6.791 2.529 1.00 0.27 H new ATOM 0 HG22 THR A 16 14.702 -6.017 3.727 1.00 0.27 H new ATOM 0 HG23 THR A 16 15.819 -7.308 4.231 1.00 0.27 H new ATOM 212 N ALA A 17 15.166 -9.445 5.277 1.00 0.36 N ATOM 213 CA ALA A 17 16.061 -9.935 6.368 1.00 0.42 C ATOM 214 C ALA A 17 17.503 -9.970 5.865 1.00 0.45 C ATOM 215 O ALA A 17 18.439 -9.787 6.617 1.00 0.63 O ATOM 216 CB ALA A 17 15.630 -11.343 6.779 1.00 0.50 C ATOM 0 H ALA A 17 15.437 -9.729 4.336 1.00 0.36 H new ATOM 0 HA ALA A 17 15.993 -9.267 7.226 1.00 0.42 H new ATOM 0 HB1 ALA A 17 16.281 -11.705 7.575 1.00 0.50 H new ATOM 0 HB2 ALA A 17 14.600 -11.319 7.135 1.00 0.50 H new ATOM 0 HB3 ALA A 17 15.702 -12.011 5.920 1.00 0.50 H new ATOM 222 N ARG A 18 17.691 -10.199 4.592 1.00 0.47 N ATOM 223 CA ARG A 18 19.071 -10.243 4.029 1.00 0.48 C ATOM 224 C ARG A 18 19.415 -8.871 3.448 1.00 0.41 C ATOM 225 O ARG A 18 18.708 -8.347 2.609 1.00 0.37 O ATOM 226 CB ARG A 18 19.136 -11.292 2.910 1.00 0.53 C ATOM 227 CG ARG A 18 19.021 -12.718 3.495 1.00 0.70 C ATOM 228 CD ARG A 18 17.538 -13.117 3.693 1.00 1.15 C ATOM 229 NE ARG A 18 17.350 -13.748 5.041 1.00 1.96 N ATOM 230 CZ ARG A 18 18.161 -14.676 5.479 1.00 2.64 C ATOM 231 NH1 ARG A 18 19.104 -15.148 4.711 1.00 2.84 N ATOM 232 NH2 ARG A 18 18.009 -15.153 6.685 1.00 3.63 N ATOM 0 H ARG A 18 16.944 -10.358 3.916 1.00 0.47 H new ATOM 0 HA ARG A 18 19.779 -10.505 4.815 1.00 0.48 H new ATOM 0 HB2 ARG A 18 18.331 -11.120 2.196 1.00 0.53 H new ATOM 0 HB3 ARG A 18 20.074 -11.192 2.364 1.00 0.53 H new ATOM 0 HG2 ARG A 18 19.507 -13.429 2.827 1.00 0.70 H new ATOM 0 HG3 ARG A 18 19.545 -12.767 4.449 1.00 0.70 H new ATOM 0 HD2 ARG A 18 16.901 -12.237 3.603 1.00 1.15 H new ATOM 0 HD3 ARG A 18 17.233 -13.813 2.911 1.00 1.15 H new ATOM 0 HE ARG A 18 16.573 -13.447 5.629 1.00 1.96 H new ATOM 0 HH11 ARG A 18 19.213 -14.793 3.761 1.00 2.84 H new ATOM 0 HH12 ARG A 18 19.732 -15.872 5.061 1.00 2.84 H new ATOM 0 HH21 ARG A 18 17.260 -14.802 7.282 1.00 3.63 H new ATOM 0 HH22 ARG A 18 18.639 -15.877 7.030 1.00 3.63 H new ATOM 246 N LYS A 19 20.495 -8.286 3.883 1.00 0.40 N ATOM 247 CA LYS A 19 20.881 -6.950 3.350 1.00 0.35 C ATOM 248 C LYS A 19 21.170 -7.083 1.850 1.00 0.31 C ATOM 249 O LYS A 19 21.906 -7.950 1.423 1.00 0.33 O ATOM 250 CB LYS A 19 22.123 -6.448 4.102 1.00 0.38 C ATOM 251 CG LYS A 19 22.797 -5.308 3.323 1.00 0.40 C ATOM 252 CD LYS A 19 23.719 -4.498 4.249 1.00 0.62 C ATOM 253 CE LYS A 19 25.050 -5.224 4.447 1.00 0.97 C ATOM 254 NZ LYS A 19 24.831 -6.472 5.232 1.00 1.79 N ATOM 0 H LYS A 19 21.127 -8.674 4.584 1.00 0.40 H new ATOM 0 HA LYS A 19 20.074 -6.231 3.493 1.00 0.35 H new ATOM 0 HB2 LYS A 19 21.839 -6.100 5.095 1.00 0.38 H new ATOM 0 HB3 LYS A 19 22.828 -7.268 4.241 1.00 0.38 H new ATOM 0 HG2 LYS A 19 23.373 -5.717 2.493 1.00 0.40 H new ATOM 0 HG3 LYS A 19 22.038 -4.655 2.893 1.00 0.40 H new ATOM 0 HD2 LYS A 19 23.896 -3.511 3.822 1.00 0.62 H new ATOM 0 HD3 LYS A 19 23.234 -4.346 5.213 1.00 0.62 H new ATOM 0 HE2 LYS A 19 25.491 -5.464 3.480 1.00 0.97 H new ATOM 0 HE3 LYS A 19 25.755 -4.575 4.967 1.00 0.97 H new ATOM 0 HZ1 LYS A 19 25.642 -6.632 5.863 1.00 1.79 H new ATOM 0 HZ2 LYS A 19 23.964 -6.378 5.799 1.00 1.79 H new ATOM 0 HZ3 LYS A 19 24.734 -7.278 4.582 1.00 1.79 H new ATOM 268 N LEU A 20 20.581 -6.237 1.051 1.00 0.27 N ATOM 269 CA LEU A 20 20.802 -6.319 -0.420 1.00 0.27 C ATOM 270 C LEU A 20 22.215 -5.802 -0.774 1.00 0.27 C ATOM 271 O LEU A 20 22.491 -4.642 -0.541 1.00 0.27 O ATOM 272 CB LEU A 20 19.777 -5.429 -1.128 1.00 0.24 C ATOM 273 CG LEU A 20 18.394 -5.626 -0.510 1.00 0.23 C ATOM 274 CD1 LEU A 20 17.362 -4.885 -1.358 1.00 0.22 C ATOM 275 CD2 LEU A 20 18.042 -7.116 -0.475 1.00 0.27 C ATOM 0 H LEU A 20 19.955 -5.491 1.354 1.00 0.27 H new ATOM 0 HA LEU A 20 20.699 -7.357 -0.736 1.00 0.27 H new ATOM 0 HB2 LEU A 20 20.074 -4.383 -1.047 1.00 0.24 H new ATOM 0 HB3 LEU A 20 19.747 -5.670 -2.191 1.00 0.24 H new ATOM 0 HG LEU A 20 18.394 -5.236 0.508 1.00 0.23 H new ATOM 0 HD11 LEU A 20 16.371 -5.020 -0.925 1.00 0.22 H new ATOM 0 HD12 LEU A 20 17.606 -3.823 -1.382 1.00 0.22 H new ATOM 0 HD13 LEU A 20 17.372 -5.283 -2.373 1.00 0.22 H new ATOM 0 HD21 LEU A 20 17.054 -7.246 -0.033 1.00 0.27 H new ATOM 0 HD22 LEU A 20 18.040 -7.513 -1.490 1.00 0.27 H new ATOM 0 HD23 LEU A 20 18.780 -7.650 0.123 1.00 0.27 H new ATOM 287 N PRO A 21 23.078 -6.630 -1.345 1.00 0.31 N ATOM 288 CA PRO A 21 24.423 -6.159 -1.724 1.00 0.34 C ATOM 289 C PRO A 21 24.294 -4.952 -2.654 1.00 0.30 C ATOM 290 O PRO A 21 23.364 -4.858 -3.430 1.00 0.29 O ATOM 291 CB PRO A 21 25.075 -7.355 -2.455 1.00 0.39 C ATOM 292 CG PRO A 21 24.138 -8.579 -2.260 1.00 0.42 C ATOM 293 CD PRO A 21 22.817 -8.056 -1.656 1.00 0.35 C ATOM 0 HA PRO A 21 25.020 -5.844 -0.868 1.00 0.34 H new ATOM 0 HB2 PRO A 21 25.204 -7.134 -3.515 1.00 0.39 H new ATOM 0 HB3 PRO A 21 26.066 -7.560 -2.049 1.00 0.39 H new ATOM 0 HG2 PRO A 21 23.954 -9.077 -3.212 1.00 0.42 H new ATOM 0 HG3 PRO A 21 24.598 -9.314 -1.599 1.00 0.42 H new ATOM 0 HD2 PRO A 21 21.991 -8.162 -2.360 1.00 0.35 H new ATOM 0 HD3 PRO A 21 22.545 -8.613 -0.759 1.00 0.35 H new ATOM 301 N ARG A 22 25.219 -4.037 -2.602 1.00 0.31 N ATOM 302 CA ARG A 22 25.139 -2.859 -3.507 1.00 0.30 C ATOM 303 C ARG A 22 24.923 -3.367 -4.940 1.00 0.31 C ATOM 304 O ARG A 22 24.256 -2.745 -5.743 1.00 0.31 O ATOM 305 CB ARG A 22 26.453 -2.055 -3.412 1.00 0.33 C ATOM 306 CG ARG A 22 26.189 -0.564 -3.669 1.00 0.69 C ATOM 307 CD ARG A 22 25.539 -0.370 -5.043 1.00 1.24 C ATOM 308 NE ARG A 22 25.776 1.025 -5.509 1.00 1.34 N ATOM 309 CZ ARG A 22 25.585 1.335 -6.762 1.00 2.07 C ATOM 310 NH1 ARG A 22 25.191 0.424 -7.608 1.00 2.89 N ATOM 311 NH2 ARG A 22 25.790 2.558 -7.169 1.00 2.44 N ATOM 0 H ARG A 22 26.024 -4.053 -1.975 1.00 0.31 H new ATOM 0 HA ARG A 22 24.312 -2.208 -3.222 1.00 0.30 H new ATOM 0 HB2 ARG A 22 26.897 -2.187 -2.425 1.00 0.33 H new ATOM 0 HB3 ARG A 22 27.172 -2.434 -4.138 1.00 0.33 H new ATOM 0 HG2 ARG A 22 25.539 -0.163 -2.891 1.00 0.69 H new ATOM 0 HG3 ARG A 22 27.125 -0.008 -3.620 1.00 0.69 H new ATOM 0 HD2 ARG A 22 25.955 -1.080 -5.758 1.00 1.24 H new ATOM 0 HD3 ARG A 22 24.469 -0.568 -4.983 1.00 1.24 H new ATOM 0 HE ARG A 22 26.087 1.737 -4.849 1.00 1.34 H new ATOM 0 HH11 ARG A 22 25.032 -0.532 -7.290 1.00 2.89 H new ATOM 0 HH12 ARG A 22 25.042 0.668 -8.587 1.00 2.89 H new ATOM 0 HH21 ARG A 22 26.099 3.270 -6.508 1.00 2.44 H new ATOM 0 HH22 ARG A 22 25.641 2.801 -8.148 1.00 2.44 H new ATOM 325 N ASN A 23 25.484 -4.505 -5.254 1.00 0.34 N ATOM 326 CA ASN A 23 25.319 -5.074 -6.624 1.00 0.37 C ATOM 327 C ASN A 23 23.894 -5.612 -6.797 1.00 0.37 C ATOM 328 O ASN A 23 23.616 -6.356 -7.717 1.00 0.40 O ATOM 329 CB ASN A 23 26.319 -6.213 -6.824 1.00 0.42 C ATOM 330 CG ASN A 23 27.744 -5.679 -6.659 1.00 1.47 C ATOM 331 OD1 ASN A 23 28.606 -5.956 -7.468 1.00 2.16 O ATOM 332 ND2 ASN A 23 28.028 -4.919 -5.636 1.00 2.38 N ATOM 0 H ASN A 23 26.051 -5.067 -4.619 1.00 0.34 H new ATOM 0 HA ASN A 23 25.499 -4.292 -7.362 1.00 0.37 H new ATOM 0 HB2 ASN A 23 26.131 -7.007 -6.101 1.00 0.42 H new ATOM 0 HB3 ASN A 23 26.196 -6.649 -7.815 1.00 0.42 H new ATOM 0 HD21 ASN A 23 28.974 -4.558 -5.516 1.00 2.38 H new ATOM 0 HD22 ASN A 23 27.304 -4.687 -4.957 1.00 2.38 H new ATOM 339 N PHE A 24 22.994 -5.249 -5.919 1.00 0.33 N ATOM 340 CA PHE A 24 21.583 -5.748 -6.030 1.00 0.33 C ATOM 341 C PHE A 24 20.622 -4.598 -5.711 1.00 0.30 C ATOM 342 O PHE A 24 19.526 -4.805 -5.233 1.00 0.28 O ATOM 343 CB PHE A 24 21.378 -6.893 -5.021 1.00 0.33 C ATOM 344 CG PHE A 24 20.210 -7.769 -5.434 1.00 0.35 C ATOM 345 CD1 PHE A 24 20.243 -8.453 -6.667 1.00 0.39 C ATOM 346 CD2 PHE A 24 19.095 -7.912 -4.582 1.00 0.35 C ATOM 347 CE1 PHE A 24 19.166 -9.274 -7.045 1.00 0.41 C ATOM 348 CE2 PHE A 24 18.017 -8.734 -4.964 1.00 0.37 C ATOM 349 CZ PHE A 24 18.053 -9.414 -6.196 1.00 0.41 C ATOM 0 H PHE A 24 23.172 -4.629 -5.129 1.00 0.33 H new ATOM 0 HA PHE A 24 21.389 -6.113 -7.039 1.00 0.33 H new ATOM 0 HB2 PHE A 24 22.285 -7.494 -4.956 1.00 0.33 H new ATOM 0 HB3 PHE A 24 21.197 -6.481 -4.028 1.00 0.33 H new ATOM 0 HD1 PHE A 24 21.096 -8.346 -7.321 1.00 0.39 H new ATOM 0 HD2 PHE A 24 19.068 -7.391 -3.636 1.00 0.35 H new ATOM 0 HE1 PHE A 24 19.193 -9.798 -7.989 1.00 0.41 H new ATOM 0 HE2 PHE A 24 17.163 -8.843 -4.312 1.00 0.37 H new ATOM 0 HZ PHE A 24 17.226 -10.043 -6.490 1.00 0.41 H new ATOM 359 N VAL A 25 21.033 -3.386 -5.975 1.00 0.30 N ATOM 360 CA VAL A 25 20.159 -2.208 -5.694 1.00 0.28 C ATOM 361 C VAL A 25 20.471 -1.106 -6.709 1.00 0.30 C ATOM 362 O VAL A 25 21.329 -0.274 -6.490 1.00 0.31 O ATOM 363 CB VAL A 25 20.443 -1.691 -4.280 1.00 0.24 C ATOM 364 CG1 VAL A 25 19.483 -0.548 -3.944 1.00 0.22 C ATOM 365 CG2 VAL A 25 20.247 -2.822 -3.268 1.00 0.23 C ATOM 0 H VAL A 25 21.943 -3.159 -6.376 1.00 0.30 H new ATOM 0 HA VAL A 25 19.111 -2.497 -5.771 1.00 0.28 H new ATOM 0 HB VAL A 25 21.471 -1.331 -4.234 1.00 0.24 H new ATOM 0 HG11 VAL A 25 19.689 -0.184 -2.937 1.00 0.22 H new ATOM 0 HG12 VAL A 25 19.619 0.264 -4.659 1.00 0.22 H new ATOM 0 HG13 VAL A 25 18.456 -0.908 -3.996 1.00 0.22 H new ATOM 0 HG21 VAL A 25 20.450 -2.451 -2.263 1.00 0.23 H new ATOM 0 HG22 VAL A 25 19.220 -3.183 -3.321 1.00 0.23 H new ATOM 0 HG23 VAL A 25 20.931 -3.639 -3.498 1.00 0.23 H new ATOM 375 N VAL A 26 19.788 -1.097 -7.822 1.00 0.33 N ATOM 376 CA VAL A 26 20.048 -0.056 -8.851 1.00 0.36 C ATOM 377 C VAL A 26 19.271 1.211 -8.511 1.00 0.35 C ATOM 378 O VAL A 26 19.487 2.257 -9.090 1.00 0.37 O ATOM 379 CB VAL A 26 19.599 -0.575 -10.216 1.00 0.41 C ATOM 380 CG1 VAL A 26 20.294 -1.904 -10.507 1.00 0.78 C ATOM 381 CG2 VAL A 26 18.081 -0.783 -10.209 1.00 0.61 C ATOM 0 H VAL A 26 19.059 -1.769 -8.061 1.00 0.33 H new ATOM 0 HA VAL A 26 21.114 0.172 -8.875 1.00 0.36 H new ATOM 0 HB VAL A 26 19.862 0.150 -10.986 1.00 0.41 H new ATOM 0 HG11 VAL A 26 19.975 -2.276 -11.481 1.00 0.78 H new ATOM 0 HG12 VAL A 26 21.374 -1.757 -10.511 1.00 0.78 H new ATOM 0 HG13 VAL A 26 20.030 -2.629 -9.737 1.00 0.78 H new ATOM 0 HG21 VAL A 26 17.760 -1.153 -11.183 1.00 0.61 H new ATOM 0 HG22 VAL A 26 17.817 -1.509 -9.440 1.00 0.61 H new ATOM 0 HG23 VAL A 26 17.585 0.165 -10.000 1.00 0.61 H new ATOM 391 N ASP A 27 18.363 1.132 -7.579 1.00 0.32 N ATOM 392 CA ASP A 27 17.581 2.343 -7.217 1.00 0.31 C ATOM 393 C ASP A 27 16.773 2.066 -5.956 1.00 0.27 C ATOM 394 O ASP A 27 16.921 1.037 -5.327 1.00 0.25 O ATOM 395 CB ASP A 27 16.627 2.694 -8.363 1.00 0.34 C ATOM 396 CG ASP A 27 16.063 4.099 -8.145 1.00 0.35 C ATOM 397 OD1 ASP A 27 16.794 4.938 -7.644 1.00 1.13 O ATOM 398 OD2 ASP A 27 14.910 4.312 -8.482 1.00 1.09 O ATOM 0 H ASP A 27 18.131 0.287 -7.057 1.00 0.32 H new ATOM 0 HA ASP A 27 18.261 3.176 -7.039 1.00 0.31 H new ATOM 0 HB2 ASP A 27 17.153 2.646 -9.316 1.00 0.34 H new ATOM 0 HB3 ASP A 27 15.815 1.968 -8.410 1.00 0.34 H new ATOM 403 N TYR A 28 15.914 2.971 -5.579 1.00 0.26 N ATOM 404 CA TYR A 28 15.098 2.748 -4.358 1.00 0.23 C ATOM 405 C TYR A 28 13.822 3.579 -4.425 1.00 0.25 C ATOM 406 O TYR A 28 13.531 4.231 -5.408 1.00 0.29 O ATOM 407 CB TYR A 28 15.904 3.115 -3.106 1.00 0.19 C ATOM 408 CG TYR A 28 16.023 4.619 -2.961 1.00 0.21 C ATOM 409 CD1 TYR A 28 16.698 5.373 -3.941 1.00 0.25 C ATOM 410 CD2 TYR A 28 15.467 5.265 -1.838 1.00 0.19 C ATOM 411 CE1 TYR A 28 16.817 6.767 -3.798 1.00 0.26 C ATOM 412 CE2 TYR A 28 15.586 6.658 -1.693 1.00 0.22 C ATOM 413 CZ TYR A 28 16.262 7.412 -2.674 1.00 0.25 C ATOM 414 OH TYR A 28 16.378 8.779 -2.534 1.00 0.28 O ATOM 0 H TYR A 28 15.743 3.852 -6.063 1.00 0.26 H new ATOM 0 HA TYR A 28 14.830 1.693 -4.302 1.00 0.23 H new ATOM 0 HB2 TYR A 28 15.421 2.698 -2.222 1.00 0.19 H new ATOM 0 HB3 TYR A 28 16.898 2.672 -3.166 1.00 0.19 H new ATOM 0 HD1 TYR A 28 17.124 4.880 -4.802 1.00 0.25 H new ATOM 0 HD2 TYR A 28 14.948 4.688 -1.087 1.00 0.19 H new ATOM 0 HE1 TYR A 28 17.334 7.344 -4.550 1.00 0.26 H new ATOM 0 HE2 TYR A 28 15.160 7.150 -0.831 1.00 0.22 H new ATOM 0 HH TYR A 28 17.311 9.044 -2.674 1.00 0.28 H new ATOM 424 N TYR A 29 13.053 3.535 -3.383 1.00 0.23 N ATOM 425 CA TYR A 29 11.777 4.288 -3.352 1.00 0.25 C ATOM 426 C TYR A 29 11.332 4.416 -1.890 1.00 0.22 C ATOM 427 O TYR A 29 11.502 3.506 -1.110 1.00 0.23 O ATOM 428 CB TYR A 29 10.744 3.506 -4.181 1.00 0.29 C ATOM 429 CG TYR A 29 9.338 3.925 -3.821 1.00 0.31 C ATOM 430 CD1 TYR A 29 8.891 5.217 -4.143 1.00 0.36 C ATOM 431 CD2 TYR A 29 8.479 3.022 -3.165 1.00 0.35 C ATOM 432 CE1 TYR A 29 7.581 5.612 -3.809 1.00 0.39 C ATOM 433 CE2 TYR A 29 7.170 3.415 -2.830 1.00 0.38 C ATOM 434 CZ TYR A 29 6.721 4.712 -3.152 1.00 0.36 C ATOM 435 OH TYR A 29 5.437 5.098 -2.824 1.00 0.39 O ATOM 0 H TYR A 29 13.257 3.001 -2.538 1.00 0.23 H new ATOM 0 HA TYR A 29 11.885 5.287 -3.773 1.00 0.25 H new ATOM 0 HB2 TYR A 29 10.919 3.678 -5.243 1.00 0.29 H new ATOM 0 HB3 TYR A 29 10.865 2.437 -4.007 1.00 0.29 H new ATOM 0 HD1 TYR A 29 9.552 5.907 -4.647 1.00 0.36 H new ATOM 0 HD2 TYR A 29 8.825 2.029 -2.919 1.00 0.35 H new ATOM 0 HE1 TYR A 29 7.236 6.605 -4.057 1.00 0.39 H new ATOM 0 HE2 TYR A 29 6.510 2.724 -2.327 1.00 0.38 H new ATOM 0 HH TYR A 29 4.977 4.358 -2.376 1.00 0.39 H new ATOM 445 N GLU A 30 10.772 5.532 -1.507 1.00 0.22 N ATOM 446 CA GLU A 30 10.325 5.698 -0.085 1.00 0.20 C ATOM 447 C GLU A 30 8.820 5.423 0.006 1.00 0.21 C ATOM 448 O GLU A 30 8.095 5.548 -0.961 1.00 0.24 O ATOM 449 CB GLU A 30 10.619 7.128 0.377 1.00 0.22 C ATOM 450 CG GLU A 30 12.102 7.260 0.737 1.00 0.25 C ATOM 451 CD GLU A 30 12.477 8.741 0.831 1.00 0.69 C ATOM 452 OE1 GLU A 30 11.666 9.507 1.327 1.00 1.43 O ATOM 453 OE2 GLU A 30 13.567 9.084 0.407 1.00 1.35 O ATOM 0 H GLU A 30 10.603 6.336 -2.112 1.00 0.22 H new ATOM 0 HA GLU A 30 10.861 4.997 0.555 1.00 0.20 H new ATOM 0 HB2 GLU A 30 10.362 7.835 -0.412 1.00 0.22 H new ATOM 0 HB3 GLU A 30 10.002 7.376 1.241 1.00 0.22 H new ATOM 0 HG2 GLU A 30 12.302 6.763 1.686 1.00 0.25 H new ATOM 0 HG3 GLU A 30 12.715 6.766 -0.017 1.00 0.25 H new ATOM 460 N THR A 31 8.351 5.040 1.161 1.00 0.19 N ATOM 461 CA THR A 31 6.896 4.744 1.324 1.00 0.21 C ATOM 462 C THR A 31 6.091 6.043 1.316 1.00 0.25 C ATOM 463 O THR A 31 6.579 7.094 0.948 1.00 0.27 O ATOM 464 CB THR A 31 6.678 4.029 2.658 1.00 0.20 C ATOM 465 OG1 THR A 31 7.408 4.705 3.664 1.00 0.21 O ATOM 466 CG2 THR A 31 7.160 2.580 2.544 1.00 0.20 C ATOM 0 H THR A 31 8.913 4.918 2.003 1.00 0.19 H new ATOM 0 HA THR A 31 6.565 4.113 0.500 1.00 0.21 H new ATOM 0 HB THR A 31 5.619 4.030 2.915 1.00 0.20 H new ATOM 0 HG1 THR A 31 7.249 5.669 3.591 1.00 0.21 H new ATOM 0 HG21 THR A 31 7.005 2.069 3.494 1.00 0.20 H new ATOM 0 HG22 THR A 31 6.598 2.070 1.762 1.00 0.20 H new ATOM 0 HG23 THR A 31 8.221 2.568 2.294 1.00 0.20 H new ATOM 474 N SER A 32 4.853 5.972 1.724 1.00 0.27 N ATOM 475 CA SER A 32 3.994 7.185 1.753 1.00 0.31 C ATOM 476 C SER A 32 4.228 7.949 3.055 1.00 0.33 C ATOM 477 O SER A 32 5.322 7.982 3.584 1.00 0.33 O ATOM 478 CB SER A 32 2.528 6.760 1.675 1.00 0.33 C ATOM 479 OG SER A 32 2.337 5.942 0.528 1.00 1.27 O ATOM 0 H SER A 32 4.398 5.116 2.041 1.00 0.27 H new ATOM 0 HA SER A 32 4.241 7.827 0.908 1.00 0.31 H new ATOM 0 HB2 SER A 32 2.247 6.215 2.576 1.00 0.33 H new ATOM 0 HB3 SER A 32 1.885 7.638 1.621 1.00 0.33 H new ATOM 0 HG SER A 32 1.679 6.360 -0.066 1.00 1.27 H new ATOM 485 N SER A 33 3.201 8.561 3.573 1.00 0.36 N ATOM 486 CA SER A 33 3.332 9.334 4.845 1.00 0.40 C ATOM 487 C SER A 33 2.067 9.134 5.673 1.00 0.40 C ATOM 488 O SER A 33 2.106 9.064 6.886 1.00 0.42 O ATOM 489 CB SER A 33 3.479 10.814 4.515 1.00 0.46 C ATOM 490 OG SER A 33 2.194 11.367 4.260 1.00 0.48 O ATOM 0 H SER A 33 2.265 8.560 3.167 1.00 0.36 H new ATOM 0 HA SER A 33 4.204 8.991 5.403 1.00 0.40 H new ATOM 0 HB2 SER A 33 3.955 11.338 5.344 1.00 0.46 H new ATOM 0 HB3 SER A 33 4.122 10.942 3.645 1.00 0.46 H new ATOM 0 HG SER A 33 2.284 12.320 4.049 1.00 0.48 H new ATOM 496 N LEU A 34 0.945 9.052 5.011 1.00 0.39 N ATOM 497 CA LEU A 34 -0.356 8.862 5.717 1.00 0.39 C ATOM 498 C LEU A 34 -0.193 7.872 6.871 1.00 0.37 C ATOM 499 O LEU A 34 -0.490 8.172 8.010 1.00 0.40 O ATOM 500 CB LEU A 34 -1.391 8.307 4.735 1.00 0.36 C ATOM 501 CG LEU A 34 -1.295 9.037 3.396 1.00 0.39 C ATOM 502 CD1 LEU A 34 -2.451 8.595 2.498 1.00 0.40 C ATOM 503 CD2 LEU A 34 -1.373 10.549 3.627 1.00 0.45 C ATOM 0 H LEU A 34 0.873 9.109 3.995 1.00 0.39 H new ATOM 0 HA LEU A 34 -0.685 9.824 6.109 1.00 0.39 H new ATOM 0 HB2 LEU A 34 -1.227 7.240 4.588 1.00 0.36 H new ATOM 0 HB3 LEU A 34 -2.393 8.422 5.149 1.00 0.36 H new ATOM 0 HG LEU A 34 -0.346 8.797 2.916 1.00 0.39 H new ATOM 0 HD11 LEU A 34 -2.387 9.113 1.541 1.00 0.40 H new ATOM 0 HD12 LEU A 34 -2.393 7.519 2.333 1.00 0.40 H new ATOM 0 HD13 LEU A 34 -3.399 8.837 2.979 1.00 0.40 H new ATOM 0 HD21 LEU A 34 -1.304 11.067 2.671 1.00 0.45 H new ATOM 0 HD22 LEU A 34 -2.321 10.795 4.106 1.00 0.45 H new ATOM 0 HD23 LEU A 34 -0.550 10.862 4.269 1.00 0.45 H new ATOM 515 N CYS A 35 0.274 6.693 6.579 1.00 0.33 N ATOM 516 CA CYS A 35 0.453 5.679 7.653 1.00 0.34 C ATOM 517 C CYS A 35 1.605 6.111 8.568 1.00 0.39 C ATOM 518 O CYS A 35 2.673 6.463 8.115 1.00 0.38 O ATOM 519 CB CYS A 35 0.756 4.315 7.025 1.00 0.32 C ATOM 520 SG CYS A 35 1.866 4.523 5.610 1.00 0.39 S ATOM 0 H CYS A 35 0.540 6.387 5.643 1.00 0.33 H new ATOM 0 HA CYS A 35 -0.460 5.599 8.243 1.00 0.34 H new ATOM 0 HB2 CYS A 35 1.214 3.658 7.764 1.00 0.32 H new ATOM 0 HB3 CYS A 35 -0.170 3.838 6.705 1.00 0.32 H new ATOM 525 N SER A 36 1.380 6.109 9.852 1.00 0.44 N ATOM 526 CA SER A 36 2.444 6.533 10.811 1.00 0.51 C ATOM 527 C SER A 36 3.625 5.548 10.808 1.00 0.51 C ATOM 528 O SER A 36 4.259 5.349 11.825 1.00 0.58 O ATOM 529 CB SER A 36 1.851 6.599 12.218 1.00 0.59 C ATOM 530 OG SER A 36 1.228 5.358 12.525 1.00 1.41 O ATOM 0 H SER A 36 0.499 5.830 10.284 1.00 0.44 H new ATOM 0 HA SER A 36 2.813 7.512 10.504 1.00 0.51 H new ATOM 0 HB2 SER A 36 2.634 6.816 12.945 1.00 0.59 H new ATOM 0 HB3 SER A 36 1.124 7.409 12.281 1.00 0.59 H new ATOM 0 HG SER A 36 0.848 5.397 13.428 1.00 1.41 H new ATOM 536 N GLN A 37 3.939 4.923 9.700 1.00 0.45 N ATOM 537 CA GLN A 37 5.089 3.963 9.706 1.00 0.47 C ATOM 538 C GLN A 37 5.707 3.830 8.305 1.00 0.36 C ATOM 539 O GLN A 37 5.647 2.770 7.717 1.00 0.35 O ATOM 540 CB GLN A 37 4.592 2.591 10.168 1.00 0.55 C ATOM 541 CG GLN A 37 3.295 2.242 9.434 1.00 0.78 C ATOM 542 CD GLN A 37 2.972 0.761 9.642 1.00 0.79 C ATOM 543 OE1 GLN A 37 2.828 0.309 10.761 1.00 1.24 O ATOM 544 NE2 GLN A 37 2.850 -0.020 8.603 1.00 1.47 N ATOM 0 H GLN A 37 3.460 5.032 8.806 1.00 0.45 H new ATOM 0 HA GLN A 37 5.853 4.342 10.385 1.00 0.47 H new ATOM 0 HB2 GLN A 37 5.349 1.833 9.970 1.00 0.55 H new ATOM 0 HB3 GLN A 37 4.422 2.598 11.245 1.00 0.55 H new ATOM 0 HG2 GLN A 37 2.477 2.859 9.806 1.00 0.78 H new ATOM 0 HG3 GLN A 37 3.398 2.457 8.370 1.00 0.78 H new ATOM 0 HE21 GLN A 37 2.971 0.358 7.664 1.00 1.47 H new ATOM 0 HE22 GLN A 37 2.634 -1.009 8.731 1.00 1.47 H new ATOM 553 N PRO A 38 6.309 4.893 7.816 1.00 0.34 N ATOM 554 CA PRO A 38 6.963 4.865 6.493 1.00 0.26 C ATOM 555 C PRO A 38 8.204 3.960 6.568 1.00 0.25 C ATOM 556 O PRO A 38 8.525 3.410 7.602 1.00 0.27 O ATOM 557 CB PRO A 38 7.361 6.335 6.220 1.00 0.33 C ATOM 558 CG PRO A 38 7.077 7.144 7.520 1.00 0.43 C ATOM 559 CD PRO A 38 6.382 6.191 8.519 1.00 0.43 C ATOM 0 HA PRO A 38 6.324 4.473 5.702 1.00 0.26 H new ATOM 0 HB2 PRO A 38 8.414 6.403 5.948 1.00 0.33 H new ATOM 0 HB3 PRO A 38 6.789 6.738 5.384 1.00 0.33 H new ATOM 0 HG2 PRO A 38 8.005 7.530 7.941 1.00 0.43 H new ATOM 0 HG3 PRO A 38 6.442 8.004 7.305 1.00 0.43 H new ATOM 0 HD2 PRO A 38 6.950 6.107 9.446 1.00 0.43 H new ATOM 0 HD3 PRO A 38 5.389 6.553 8.785 1.00 0.43 H new ATOM 567 N ALA A 39 8.896 3.814 5.478 1.00 0.23 N ATOM 568 CA ALA A 39 10.112 2.967 5.452 1.00 0.22 C ATOM 569 C ALA A 39 10.808 3.189 4.114 1.00 0.19 C ATOM 570 O ALA A 39 10.257 3.811 3.226 1.00 0.22 O ATOM 571 CB ALA A 39 9.719 1.494 5.587 1.00 0.23 C ATOM 0 H ALA A 39 8.665 4.255 4.588 1.00 0.23 H new ATOM 0 HA ALA A 39 10.775 3.229 6.277 1.00 0.22 H new ATOM 0 HB1 ALA A 39 10.616 0.875 5.567 1.00 0.23 H new ATOM 0 HB2 ALA A 39 9.194 1.342 6.530 1.00 0.23 H new ATOM 0 HB3 ALA A 39 9.067 1.214 4.760 1.00 0.23 H new ATOM 577 N VAL A 40 11.996 2.676 3.939 1.00 0.15 N ATOM 578 CA VAL A 40 12.695 2.849 2.629 1.00 0.13 C ATOM 579 C VAL A 40 12.473 1.579 1.814 1.00 0.13 C ATOM 580 O VAL A 40 12.411 0.489 2.348 1.00 0.18 O ATOM 581 CB VAL A 40 14.195 3.078 2.857 1.00 0.12 C ATOM 582 CG1 VAL A 40 14.959 2.861 1.545 1.00 0.12 C ATOM 583 CG2 VAL A 40 14.418 4.515 3.326 1.00 0.16 C ATOM 0 H VAL A 40 12.512 2.147 4.642 1.00 0.15 H new ATOM 0 HA VAL A 40 12.300 3.715 2.097 1.00 0.13 H new ATOM 0 HB VAL A 40 14.555 2.377 3.610 1.00 0.12 H new ATOM 0 HG11 VAL A 40 16.024 3.025 1.712 1.00 0.12 H new ATOM 0 HG12 VAL A 40 14.799 1.841 1.195 1.00 0.12 H new ATOM 0 HG13 VAL A 40 14.598 3.563 0.793 1.00 0.12 H new ATOM 0 HG21 VAL A 40 15.482 4.683 3.490 1.00 0.16 H new ATOM 0 HG22 VAL A 40 14.054 5.206 2.566 1.00 0.16 H new ATOM 0 HG23 VAL A 40 13.877 4.682 4.257 1.00 0.16 H new ATOM 593 N VAL A 41 12.332 1.721 0.525 1.00 0.15 N ATOM 594 CA VAL A 41 12.088 0.538 -0.361 1.00 0.16 C ATOM 595 C VAL A 41 13.209 0.440 -1.398 1.00 0.16 C ATOM 596 O VAL A 41 13.393 1.321 -2.208 1.00 0.18 O ATOM 597 CB VAL A 41 10.736 0.728 -1.051 1.00 0.21 C ATOM 598 CG1 VAL A 41 10.222 -0.605 -1.587 1.00 0.25 C ATOM 599 CG2 VAL A 41 9.734 1.278 -0.033 1.00 0.23 C ATOM 0 H VAL A 41 12.375 2.616 0.038 1.00 0.15 H new ATOM 0 HA VAL A 41 12.075 -0.383 0.221 1.00 0.16 H new ATOM 0 HB VAL A 41 10.853 1.422 -1.883 1.00 0.21 H new ATOM 0 HG11 VAL A 41 9.259 -0.454 -2.075 1.00 0.25 H new ATOM 0 HG12 VAL A 41 10.935 -1.007 -2.307 1.00 0.25 H new ATOM 0 HG13 VAL A 41 10.104 -1.308 -0.762 1.00 0.25 H new ATOM 0 HG21 VAL A 41 8.766 1.418 -0.514 1.00 0.23 H new ATOM 0 HG22 VAL A 41 9.631 0.574 0.793 1.00 0.23 H new ATOM 0 HG23 VAL A 41 10.091 2.235 0.348 1.00 0.23 H new ATOM 609 N PHE A 42 13.973 -0.621 -1.374 1.00 0.15 N ATOM 610 CA PHE A 42 15.094 -0.755 -2.354 1.00 0.17 C ATOM 611 C PHE A 42 14.624 -1.476 -3.620 1.00 0.21 C ATOM 612 O PHE A 42 13.919 -2.464 -3.566 1.00 0.23 O ATOM 613 CB PHE A 42 16.237 -1.560 -1.721 1.00 0.16 C ATOM 614 CG PHE A 42 16.996 -0.699 -0.733 1.00 0.14 C ATOM 615 CD1 PHE A 42 17.696 0.439 -1.182 1.00 0.14 C ATOM 616 CD2 PHE A 42 17.014 -1.040 0.634 1.00 0.13 C ATOM 617 CE1 PHE A 42 18.409 1.234 -0.267 1.00 0.14 C ATOM 618 CE2 PHE A 42 17.730 -0.246 1.548 1.00 0.14 C ATOM 619 CZ PHE A 42 18.428 0.892 1.098 1.00 0.14 C ATOM 0 H PHE A 42 13.871 -1.398 -0.721 1.00 0.15 H new ATOM 0 HA PHE A 42 15.438 0.244 -2.620 1.00 0.17 H new ATOM 0 HB2 PHE A 42 15.837 -2.439 -1.216 1.00 0.16 H new ATOM 0 HB3 PHE A 42 16.913 -1.918 -2.497 1.00 0.16 H new ATOM 0 HD1 PHE A 42 17.685 0.701 -2.230 1.00 0.14 H new ATOM 0 HD2 PHE A 42 16.478 -1.911 0.980 1.00 0.13 H new ATOM 0 HE1 PHE A 42 18.942 2.107 -0.612 1.00 0.14 H new ATOM 0 HE2 PHE A 42 17.745 -0.509 2.595 1.00 0.14 H new ATOM 0 HZ PHE A 42 18.977 1.502 1.800 1.00 0.14 H new ATOM 629 N GLN A 43 15.046 -0.996 -4.760 1.00 0.24 N ATOM 630 CA GLN A 43 14.679 -1.643 -6.055 1.00 0.28 C ATOM 631 C GLN A 43 15.876 -2.496 -6.493 1.00 0.30 C ATOM 632 O GLN A 43 16.979 -1.989 -6.620 1.00 0.30 O ATOM 633 CB GLN A 43 14.394 -0.547 -7.086 1.00 0.32 C ATOM 634 CG GLN A 43 13.211 0.310 -6.615 1.00 0.32 C ATOM 635 CD GLN A 43 13.222 1.652 -7.352 1.00 0.58 C ATOM 636 OE1 GLN A 43 13.982 2.538 -7.014 1.00 1.29 O ATOM 637 NE2 GLN A 43 12.402 1.842 -8.349 1.00 1.31 N ATOM 0 H GLN A 43 15.638 -0.171 -4.850 1.00 0.24 H new ATOM 0 HA GLN A 43 13.792 -2.269 -5.958 1.00 0.28 H new ATOM 0 HB2 GLN A 43 15.277 0.077 -7.221 1.00 0.32 H new ATOM 0 HB3 GLN A 43 14.169 -0.994 -8.054 1.00 0.32 H new ATOM 0 HG2 GLN A 43 12.273 -0.212 -6.804 1.00 0.32 H new ATOM 0 HG3 GLN A 43 13.274 0.474 -5.539 1.00 0.32 H new ATOM 0 HE21 GLN A 43 11.764 1.099 -8.633 1.00 1.31 H new ATOM 0 HE22 GLN A 43 12.399 2.734 -8.844 1.00 1.31 H new ATOM 646 N THR A 44 15.698 -3.793 -6.676 1.00 0.32 N ATOM 647 CA THR A 44 16.878 -4.659 -7.040 1.00 0.34 C ATOM 648 C THR A 44 16.957 -4.939 -8.542 1.00 0.39 C ATOM 649 O THR A 44 16.433 -4.213 -9.362 1.00 0.41 O ATOM 650 CB THR A 44 16.770 -5.995 -6.307 1.00 0.34 C ATOM 651 OG1 THR A 44 15.893 -6.848 -7.024 1.00 0.38 O ATOM 652 CG2 THR A 44 16.221 -5.765 -4.897 1.00 0.29 C ATOM 0 H THR A 44 14.806 -4.280 -6.591 1.00 0.32 H new ATOM 0 HA THR A 44 17.777 -4.117 -6.748 1.00 0.34 H new ATOM 0 HB THR A 44 17.756 -6.455 -6.237 1.00 0.34 H new ATOM 0 HG1 THR A 44 15.025 -6.880 -6.571 1.00 0.38 H new ATOM 0 HG21 THR A 44 16.145 -6.719 -4.376 1.00 0.29 H new ATOM 0 HG22 THR A 44 16.893 -5.105 -4.348 1.00 0.29 H new ATOM 0 HG23 THR A 44 15.234 -5.307 -4.961 1.00 0.29 H new ATOM 660 N LYS A 45 17.646 -6.005 -8.891 1.00 0.43 N ATOM 661 CA LYS A 45 17.825 -6.387 -10.325 1.00 0.48 C ATOM 662 C LYS A 45 16.997 -7.633 -10.655 1.00 0.51 C ATOM 663 O LYS A 45 16.651 -7.866 -11.797 1.00 0.56 O ATOM 664 CB LYS A 45 19.298 -6.717 -10.566 1.00 0.50 C ATOM 665 CG LYS A 45 20.160 -5.542 -10.130 1.00 0.46 C ATOM 666 CD LYS A 45 21.630 -5.840 -10.446 1.00 0.49 C ATOM 667 CE LYS A 45 22.422 -4.535 -10.483 1.00 0.54 C ATOM 668 NZ LYS A 45 22.228 -3.872 -11.803 1.00 1.55 N ATOM 0 H LYS A 45 18.098 -6.634 -8.227 1.00 0.43 H new ATOM 0 HA LYS A 45 17.500 -5.558 -10.953 1.00 0.48 H new ATOM 0 HB2 LYS A 45 19.577 -7.612 -10.010 1.00 0.50 H new ATOM 0 HB3 LYS A 45 19.465 -6.932 -11.621 1.00 0.50 H new ATOM 0 HG2 LYS A 45 19.843 -4.635 -10.644 1.00 0.46 H new ATOM 0 HG3 LYS A 45 20.036 -5.363 -9.062 1.00 0.46 H new ATOM 0 HD2 LYS A 45 22.046 -6.508 -9.692 1.00 0.49 H new ATOM 0 HD3 LYS A 45 21.709 -6.352 -11.405 1.00 0.49 H new ATOM 0 HE2 LYS A 45 22.093 -3.875 -9.681 1.00 0.54 H new ATOM 0 HE3 LYS A 45 23.481 -4.735 -10.317 1.00 0.54 H new ATOM 0 HZ1 LYS A 45 22.593 -2.899 -11.760 1.00 1.55 H new ATOM 0 HZ2 LYS A 45 22.740 -4.402 -12.536 1.00 1.55 H new ATOM 0 HZ3 LYS A 45 21.215 -3.851 -12.035 1.00 1.55 H new ATOM 682 N ARG A 46 16.692 -8.446 -9.668 1.00 0.50 N ATOM 683 CA ARG A 46 15.901 -9.696 -9.923 1.00 0.54 C ATOM 684 C ARG A 46 14.775 -9.786 -8.897 1.00 0.49 C ATOM 685 O ARG A 46 14.599 -10.771 -8.213 1.00 0.48 O ATOM 686 CB ARG A 46 16.844 -10.915 -9.820 1.00 0.59 C ATOM 687 CG ARG A 46 16.102 -12.268 -9.983 1.00 0.72 C ATOM 688 CD ARG A 46 14.972 -12.181 -11.017 1.00 0.92 C ATOM 689 NE ARG A 46 14.472 -13.563 -11.333 1.00 1.48 N ATOM 690 CZ ARG A 46 15.253 -14.478 -11.848 1.00 2.13 C ATOM 691 NH1 ARG A 46 16.453 -14.172 -12.261 1.00 2.62 N ATOM 692 NH2 ARG A 46 14.813 -15.697 -11.997 1.00 2.82 N ATOM 0 H ARG A 46 16.958 -8.297 -8.694 1.00 0.50 H new ATOM 0 HA ARG A 46 15.462 -9.679 -10.921 1.00 0.54 H new ATOM 0 HB2 ARG A 46 17.617 -10.836 -10.585 1.00 0.59 H new ATOM 0 HB3 ARG A 46 17.348 -10.897 -8.854 1.00 0.59 H new ATOM 0 HG2 ARG A 46 16.812 -13.037 -10.286 1.00 0.72 H new ATOM 0 HG3 ARG A 46 15.691 -12.575 -9.021 1.00 0.72 H new ATOM 0 HD2 ARG A 46 14.158 -11.568 -10.630 1.00 0.92 H new ATOM 0 HD3 ARG A 46 15.332 -11.697 -11.925 1.00 0.92 H new ATOM 0 HE ARG A 46 13.497 -13.794 -11.141 1.00 1.48 H new ATOM 0 HH11 ARG A 46 16.790 -13.212 -12.184 1.00 2.62 H new ATOM 0 HH12 ARG A 46 17.054 -14.893 -12.661 1.00 2.62 H new ATOM 0 HH21 ARG A 46 13.863 -15.935 -11.712 1.00 2.82 H new ATOM 0 HH22 ARG A 46 15.419 -16.413 -12.398 1.00 2.82 H new ATOM 706 N SER A 47 13.997 -8.754 -8.802 1.00 0.46 N ATOM 707 CA SER A 47 12.866 -8.755 -7.858 1.00 0.42 C ATOM 708 C SER A 47 11.970 -7.578 -8.210 1.00 0.42 C ATOM 709 O SER A 47 11.504 -7.452 -9.324 1.00 0.46 O ATOM 710 CB SER A 47 13.373 -8.637 -6.414 1.00 0.38 C ATOM 711 OG SER A 47 13.804 -7.308 -6.164 1.00 1.07 O ATOM 0 H SER A 47 14.101 -7.899 -9.348 1.00 0.46 H new ATOM 0 HA SER A 47 12.308 -9.689 -7.933 1.00 0.42 H new ATOM 0 HB2 SER A 47 12.580 -8.909 -5.717 1.00 0.38 H new ATOM 0 HB3 SER A 47 14.195 -9.333 -6.249 1.00 0.38 H new ATOM 0 HG SER A 47 13.821 -7.146 -5.198 1.00 1.07 H new ATOM 717 N LYS A 48 11.747 -6.710 -7.286 1.00 0.38 N ATOM 718 CA LYS A 48 10.902 -5.525 -7.556 1.00 0.40 C ATOM 719 C LYS A 48 11.228 -4.483 -6.501 1.00 0.35 C ATOM 720 O LYS A 48 12.179 -3.736 -6.618 1.00 0.34 O ATOM 721 CB LYS A 48 9.417 -5.901 -7.459 1.00 0.44 C ATOM 722 CG LYS A 48 9.003 -6.759 -8.662 1.00 1.11 C ATOM 723 CD LYS A 48 7.476 -6.756 -8.797 1.00 1.38 C ATOM 724 CE LYS A 48 7.061 -7.583 -10.017 1.00 2.13 C ATOM 725 NZ LYS A 48 5.679 -7.204 -10.424 1.00 2.73 N ATOM 0 H LYS A 48 12.118 -6.767 -6.337 1.00 0.38 H new ATOM 0 HA LYS A 48 11.096 -5.142 -8.558 1.00 0.40 H new ATOM 0 HB2 LYS A 48 9.233 -6.448 -6.534 1.00 0.44 H new ATOM 0 HB3 LYS A 48 8.808 -4.998 -7.422 1.00 0.44 H new ATOM 0 HG2 LYS A 48 9.459 -6.370 -9.572 1.00 1.11 H new ATOM 0 HG3 LYS A 48 9.365 -7.779 -8.535 1.00 1.11 H new ATOM 0 HD2 LYS A 48 7.021 -7.167 -7.896 1.00 1.38 H new ATOM 0 HD3 LYS A 48 7.113 -5.733 -8.899 1.00 1.38 H new ATOM 0 HE2 LYS A 48 7.755 -7.411 -10.840 1.00 2.13 H new ATOM 0 HE3 LYS A 48 7.104 -8.646 -9.781 1.00 2.13 H new ATOM 0 HZ1 LYS A 48 5.395 -7.765 -11.253 1.00 2.73 H new ATOM 0 HZ2 LYS A 48 5.023 -7.390 -9.639 1.00 2.73 H new ATOM 0 HZ3 LYS A 48 5.653 -6.193 -10.665 1.00 2.73 H new ATOM 739 N GLN A 49 10.442 -4.455 -5.460 1.00 0.33 N ATOM 740 CA GLN A 49 10.660 -3.489 -4.347 1.00 0.30 C ATOM 741 C GLN A 49 10.897 -4.280 -3.050 1.00 0.25 C ATOM 742 O GLN A 49 10.350 -5.350 -2.852 1.00 0.26 O ATOM 743 CB GLN A 49 9.395 -2.617 -4.214 1.00 0.35 C ATOM 744 CG GLN A 49 9.550 -1.299 -4.988 1.00 0.82 C ATOM 745 CD GLN A 49 9.534 -1.583 -6.491 1.00 0.89 C ATOM 746 OE1 GLN A 49 8.505 -1.480 -7.129 1.00 1.53 O ATOM 747 NE2 GLN A 49 10.637 -1.937 -7.089 1.00 1.52 N ATOM 0 H GLN A 49 9.642 -5.074 -5.332 1.00 0.33 H new ATOM 0 HA GLN A 49 11.524 -2.854 -4.541 1.00 0.30 H new ATOM 0 HB2 GLN A 49 8.531 -3.164 -4.590 1.00 0.35 H new ATOM 0 HB3 GLN A 49 9.204 -2.405 -3.162 1.00 0.35 H new ATOM 0 HG2 GLN A 49 8.742 -0.615 -4.728 1.00 0.82 H new ATOM 0 HG3 GLN A 49 10.483 -0.810 -4.710 1.00 0.82 H new ATOM 0 HE21 GLN A 49 11.502 -2.024 -6.555 1.00 1.52 H new ATOM 0 HE22 GLN A 49 10.635 -2.127 -8.091 1.00 1.52 H new ATOM 756 N VAL A 50 11.707 -3.757 -2.165 1.00 0.23 N ATOM 757 CA VAL A 50 11.981 -4.460 -0.874 1.00 0.19 C ATOM 758 C VAL A 50 12.000 -3.437 0.254 1.00 0.16 C ATOM 759 O VAL A 50 12.795 -2.523 0.256 1.00 0.15 O ATOM 760 CB VAL A 50 13.336 -5.167 -0.947 1.00 0.22 C ATOM 761 CG1 VAL A 50 13.460 -6.149 0.222 1.00 0.24 C ATOM 762 CG2 VAL A 50 13.442 -5.922 -2.279 1.00 0.31 C ATOM 0 H VAL A 50 12.193 -2.868 -2.282 1.00 0.23 H new ATOM 0 HA VAL A 50 11.203 -5.200 -0.688 1.00 0.19 H new ATOM 0 HB VAL A 50 14.140 -4.434 -0.885 1.00 0.22 H new ATOM 0 HG11 VAL A 50 14.425 -6.654 0.172 1.00 0.24 H new ATOM 0 HG12 VAL A 50 13.383 -5.605 1.164 1.00 0.24 H new ATOM 0 HG13 VAL A 50 12.660 -6.887 0.163 1.00 0.24 H new ATOM 0 HG21 VAL A 50 14.406 -6.427 -2.335 1.00 0.31 H new ATOM 0 HG22 VAL A 50 12.642 -6.659 -2.344 1.00 0.31 H new ATOM 0 HG23 VAL A 50 13.353 -5.217 -3.105 1.00 0.31 H new ATOM 772 N CYS A 51 11.132 -3.586 1.212 1.00 0.16 N ATOM 773 CA CYS A 51 11.092 -2.614 2.337 1.00 0.15 C ATOM 774 C CYS A 51 12.307 -2.828 3.234 1.00 0.14 C ATOM 775 O CYS A 51 12.828 -3.921 3.340 1.00 0.16 O ATOM 776 CB CYS A 51 9.814 -2.837 3.146 1.00 0.17 C ATOM 777 SG CYS A 51 8.374 -2.462 2.116 1.00 0.21 S ATOM 0 H CYS A 51 10.447 -4.340 1.265 1.00 0.16 H new ATOM 0 HA CYS A 51 11.105 -1.597 1.946 1.00 0.15 H new ATOM 0 HB2 CYS A 51 9.767 -3.869 3.494 1.00 0.17 H new ATOM 0 HB3 CYS A 51 9.816 -2.202 4.032 1.00 0.17 H new ATOM 782 N ALA A 52 12.774 -1.786 3.870 1.00 0.12 N ATOM 783 CA ALA A 52 13.972 -1.918 4.754 1.00 0.13 C ATOM 784 C ALA A 52 13.812 -1.019 5.982 1.00 0.15 C ATOM 785 O ALA A 52 13.361 0.108 5.888 1.00 0.15 O ATOM 786 CB ALA A 52 15.219 -1.491 3.979 1.00 0.11 C ATOM 0 H ALA A 52 12.378 -0.848 3.816 1.00 0.12 H new ATOM 0 HA ALA A 52 14.070 -2.955 5.075 1.00 0.13 H new ATOM 0 HB1 ALA A 52 16.096 -1.586 4.620 1.00 0.11 H new ATOM 0 HB2 ALA A 52 15.339 -2.129 3.103 1.00 0.11 H new ATOM 0 HB3 ALA A 52 15.112 -0.454 3.661 1.00 0.11 H new ATOM 792 N ASP A 53 14.183 -1.513 7.133 1.00 0.18 N ATOM 793 CA ASP A 53 14.059 -0.700 8.377 1.00 0.22 C ATOM 794 C ASP A 53 15.063 0.478 8.326 1.00 0.21 C ATOM 795 O ASP A 53 16.252 0.233 8.293 1.00 0.22 O ATOM 796 CB ASP A 53 14.409 -1.578 9.582 1.00 0.27 C ATOM 797 CG ASP A 53 13.423 -2.743 9.673 1.00 1.35 C ATOM 798 OD1 ASP A 53 13.558 -3.669 8.890 1.00 2.17 O ATOM 799 OD2 ASP A 53 12.554 -2.692 10.528 1.00 2.10 O ATOM 0 H ASP A 53 14.568 -2.448 7.265 1.00 0.18 H new ATOM 0 HA ASP A 53 13.041 -0.320 8.462 1.00 0.22 H new ATOM 0 HB2 ASP A 53 15.427 -1.957 9.485 1.00 0.27 H new ATOM 0 HB3 ASP A 53 14.374 -0.987 10.497 1.00 0.27 H new ATOM 804 N PRO A 54 14.600 1.723 8.327 1.00 0.22 N ATOM 805 CA PRO A 54 15.532 2.871 8.286 1.00 0.24 C ATOM 806 C PRO A 54 16.440 2.858 9.527 1.00 0.28 C ATOM 807 O PRO A 54 17.355 3.649 9.646 1.00 0.30 O ATOM 808 CB PRO A 54 14.629 4.125 8.275 1.00 0.27 C ATOM 809 CG PRO A 54 13.150 3.642 8.324 1.00 0.27 C ATOM 810 CD PRO A 54 13.163 2.098 8.359 1.00 0.24 C ATOM 0 HA PRO A 54 16.188 2.843 7.416 1.00 0.24 H new ATOM 0 HB2 PRO A 54 14.851 4.764 9.129 1.00 0.27 H new ATOM 0 HB3 PRO A 54 14.808 4.718 7.378 1.00 0.27 H new ATOM 0 HG2 PRO A 54 12.646 4.041 9.205 1.00 0.27 H new ATOM 0 HG3 PRO A 54 12.601 4.001 7.453 1.00 0.27 H new ATOM 0 HD2 PRO A 54 12.677 1.720 9.258 1.00 0.24 H new ATOM 0 HD3 PRO A 54 12.627 1.680 7.507 1.00 0.24 H new ATOM 818 N SER A 55 16.178 1.982 10.454 1.00 0.31 N ATOM 819 CA SER A 55 17.010 1.934 11.692 1.00 0.36 C ATOM 820 C SER A 55 18.348 1.246 11.405 1.00 0.36 C ATOM 821 O SER A 55 19.302 1.402 12.141 1.00 0.40 O ATOM 822 CB SER A 55 16.261 1.153 12.774 1.00 0.40 C ATOM 823 OG SER A 55 15.028 1.803 13.053 1.00 1.42 O ATOM 0 H SER A 55 15.424 1.296 10.410 1.00 0.31 H new ATOM 0 HA SER A 55 17.200 2.952 12.032 1.00 0.36 H new ATOM 0 HB2 SER A 55 16.080 0.131 12.441 1.00 0.40 H new ATOM 0 HB3 SER A 55 16.866 1.091 13.679 1.00 0.40 H new ATOM 0 HG SER A 55 14.545 1.305 13.745 1.00 1.42 H new ATOM 829 N GLU A 56 18.435 0.491 10.344 1.00 0.33 N ATOM 830 CA GLU A 56 19.723 -0.195 10.027 1.00 0.34 C ATOM 831 C GLU A 56 20.663 0.793 9.326 1.00 0.33 C ATOM 832 O GLU A 56 20.358 1.333 8.281 1.00 0.29 O ATOM 833 CB GLU A 56 19.450 -1.398 9.120 1.00 0.31 C ATOM 834 CG GLU A 56 18.958 -2.581 9.959 1.00 0.35 C ATOM 835 CD GLU A 56 20.126 -3.164 10.756 1.00 1.30 C ATOM 836 OE1 GLU A 56 21.170 -3.384 10.164 1.00 2.01 O ATOM 837 OE2 GLU A 56 19.957 -3.382 11.944 1.00 2.08 O ATOM 0 H GLU A 56 17.675 0.319 9.685 1.00 0.33 H new ATOM 0 HA GLU A 56 20.193 -0.544 10.946 1.00 0.34 H new ATOM 0 HB2 GLU A 56 18.703 -1.137 8.370 1.00 0.31 H new ATOM 0 HB3 GLU A 56 20.358 -1.674 8.584 1.00 0.31 H new ATOM 0 HG2 GLU A 56 18.168 -2.256 10.636 1.00 0.35 H new ATOM 0 HG3 GLU A 56 18.528 -3.346 9.312 1.00 0.35 H new ATOM 844 N SER A 57 21.795 1.040 9.919 1.00 0.37 N ATOM 845 CA SER A 57 22.775 2.001 9.338 1.00 0.38 C ATOM 846 C SER A 57 23.046 1.711 7.858 1.00 0.35 C ATOM 847 O SER A 57 23.166 2.619 7.060 1.00 0.34 O ATOM 848 CB SER A 57 24.088 1.908 10.115 1.00 0.44 C ATOM 849 OG SER A 57 24.472 0.544 10.227 1.00 1.37 O ATOM 0 H SER A 57 22.089 0.610 10.796 1.00 0.37 H new ATOM 0 HA SER A 57 22.352 3.003 9.414 1.00 0.38 H new ATOM 0 HB2 SER A 57 24.866 2.476 9.606 1.00 0.44 H new ATOM 0 HB3 SER A 57 23.970 2.347 11.106 1.00 0.44 H new ATOM 0 HG SER A 57 25.315 0.481 10.723 1.00 1.37 H new ATOM 855 N TRP A 58 23.173 0.469 7.477 1.00 0.34 N ATOM 856 CA TRP A 58 23.468 0.177 6.045 1.00 0.32 C ATOM 857 C TRP A 58 22.351 0.731 5.166 1.00 0.27 C ATOM 858 O TRP A 58 22.572 1.108 4.035 1.00 0.27 O ATOM 859 CB TRP A 58 23.657 -1.330 5.827 1.00 0.34 C ATOM 860 CG TRP A 58 22.354 -2.060 5.821 1.00 0.31 C ATOM 861 CD1 TRP A 58 21.902 -2.829 6.837 1.00 0.32 C ATOM 862 CD2 TRP A 58 21.354 -2.153 4.761 1.00 0.27 C ATOM 863 NE1 TRP A 58 20.693 -3.388 6.474 1.00 0.29 N ATOM 864 CE2 TRP A 58 20.304 -2.996 5.211 1.00 0.26 C ATOM 865 CE3 TRP A 58 21.250 -1.590 3.467 1.00 0.27 C ATOM 866 CZ2 TRP A 58 19.190 -3.275 4.408 1.00 0.25 C ATOM 867 CZ3 TRP A 58 20.128 -1.867 2.655 1.00 0.27 C ATOM 868 CH2 TRP A 58 19.100 -2.708 3.127 1.00 0.26 C ATOM 0 H TRP A 58 23.087 -0.346 8.085 1.00 0.34 H new ATOM 0 HA TRP A 58 24.401 0.666 5.765 1.00 0.32 H new ATOM 0 HB2 TRP A 58 24.172 -1.498 4.881 1.00 0.34 H new ATOM 0 HB3 TRP A 58 24.295 -1.733 6.613 1.00 0.34 H new ATOM 0 HD1 TRP A 58 22.405 -2.981 7.780 1.00 0.32 H new ATOM 0 HE1 TRP A 58 20.152 -4.016 7.069 1.00 0.29 H new ATOM 0 HE3 TRP A 58 22.033 -0.945 3.098 1.00 0.27 H new ATOM 0 HZ2 TRP A 58 18.406 -3.922 4.772 1.00 0.25 H new ATOM 0 HZ3 TRP A 58 20.057 -1.433 1.669 1.00 0.27 H new ATOM 0 HH2 TRP A 58 18.243 -2.916 2.503 1.00 0.26 H new ATOM 879 N VAL A 59 21.159 0.815 5.679 1.00 0.24 N ATOM 880 CA VAL A 59 20.052 1.374 4.861 1.00 0.20 C ATOM 881 C VAL A 59 20.323 2.856 4.636 1.00 0.22 C ATOM 882 O VAL A 59 20.248 3.352 3.531 1.00 0.21 O ATOM 883 CB VAL A 59 18.731 1.188 5.603 1.00 0.19 C ATOM 884 CG1 VAL A 59 17.584 1.789 4.788 1.00 0.18 C ATOM 885 CG2 VAL A 59 18.497 -0.307 5.804 1.00 0.19 C ATOM 0 H VAL A 59 20.904 0.523 6.623 1.00 0.24 H new ATOM 0 HA VAL A 59 19.990 0.861 3.901 1.00 0.20 H new ATOM 0 HB VAL A 59 18.772 1.693 6.568 1.00 0.19 H new ATOM 0 HG11 VAL A 59 16.645 1.652 5.325 1.00 0.18 H new ATOM 0 HG12 VAL A 59 17.764 2.853 4.637 1.00 0.18 H new ATOM 0 HG13 VAL A 59 17.525 1.290 3.821 1.00 0.18 H new ATOM 0 HG21 VAL A 59 17.557 -0.460 6.333 1.00 0.19 H new ATOM 0 HG22 VAL A 59 18.452 -0.802 4.834 1.00 0.19 H new ATOM 0 HG23 VAL A 59 19.315 -0.728 6.389 1.00 0.19 H new ATOM 895 N GLN A 60 20.660 3.563 5.675 1.00 0.25 N ATOM 896 CA GLN A 60 20.959 5.014 5.513 1.00 0.28 C ATOM 897 C GLN A 60 22.208 5.172 4.642 1.00 0.30 C ATOM 898 O GLN A 60 22.295 6.060 3.817 1.00 0.31 O ATOM 899 CB GLN A 60 21.209 5.641 6.886 1.00 0.33 C ATOM 900 CG GLN A 60 19.919 5.601 7.706 1.00 1.25 C ATOM 901 CD GLN A 60 18.945 6.657 7.182 1.00 1.65 C ATOM 902 OE1 GLN A 60 19.340 7.760 6.862 1.00 2.33 O ATOM 903 NE2 GLN A 60 17.676 6.363 7.079 1.00 2.14 N ATOM 0 H GLN A 60 20.742 3.203 6.626 1.00 0.25 H new ATOM 0 HA GLN A 60 20.114 5.514 5.039 1.00 0.28 H new ATOM 0 HB2 GLN A 60 22.000 5.101 7.406 1.00 0.33 H new ATOM 0 HB3 GLN A 60 21.548 6.671 6.771 1.00 0.33 H new ATOM 0 HG2 GLN A 60 19.467 4.611 7.643 1.00 1.25 H new ATOM 0 HG3 GLN A 60 20.139 5.785 8.758 1.00 1.25 H new ATOM 0 HE21 GLN A 60 17.344 5.437 7.348 1.00 2.14 H new ATOM 0 HE22 GLN A 60 17.018 7.060 6.730 1.00 2.14 H new ATOM 912 N GLU A 61 23.175 4.314 4.825 1.00 0.31 N ATOM 913 CA GLU A 61 24.426 4.404 4.016 1.00 0.33 C ATOM 914 C GLU A 61 24.113 4.139 2.541 1.00 0.31 C ATOM 915 O GLU A 61 24.509 4.885 1.669 1.00 0.32 O ATOM 916 CB GLU A 61 25.432 3.367 4.519 1.00 0.35 C ATOM 917 CG GLU A 61 26.819 3.684 3.955 1.00 0.40 C ATOM 918 CD GLU A 61 27.371 4.940 4.631 1.00 1.29 C ATOM 919 OE1 GLU A 61 27.327 5.000 5.849 1.00 1.99 O ATOM 920 OE2 GLU A 61 27.830 5.819 3.921 1.00 2.03 O ATOM 0 H GLU A 61 23.153 3.552 5.502 1.00 0.31 H new ATOM 0 HA GLU A 61 24.848 5.404 4.118 1.00 0.33 H new ATOM 0 HB2 GLU A 61 25.461 3.372 5.609 1.00 0.35 H new ATOM 0 HB3 GLU A 61 25.123 2.367 4.213 1.00 0.35 H new ATOM 0 HG2 GLU A 61 27.492 2.843 4.122 1.00 0.40 H new ATOM 0 HG3 GLU A 61 26.759 3.835 2.877 1.00 0.40 H new ATOM 927 N TYR A 62 23.407 3.080 2.258 1.00 0.28 N ATOM 928 CA TYR A 62 23.068 2.765 0.840 1.00 0.28 C ATOM 929 C TYR A 62 22.231 3.906 0.254 1.00 0.28 C ATOM 930 O TYR A 62 22.363 4.255 -0.902 1.00 0.30 O ATOM 931 CB TYR A 62 22.269 1.451 0.776 1.00 0.25 C ATOM 932 CG TYR A 62 23.201 0.250 0.809 1.00 0.27 C ATOM 933 CD1 TYR A 62 24.213 0.146 1.788 1.00 0.29 C ATOM 934 CD2 TYR A 62 23.046 -0.778 -0.146 1.00 0.27 C ATOM 935 CE1 TYR A 62 25.061 -0.977 1.808 1.00 0.32 C ATOM 936 CE2 TYR A 62 23.897 -1.898 -0.125 1.00 0.29 C ATOM 937 CZ TYR A 62 24.904 -1.999 0.852 1.00 0.31 C ATOM 938 OH TYR A 62 25.737 -3.099 0.873 1.00 0.34 O ATOM 0 H TYR A 62 23.049 2.418 2.947 1.00 0.28 H new ATOM 0 HA TYR A 62 23.986 2.653 0.263 1.00 0.28 H new ATOM 0 HB2 TYR A 62 21.575 1.401 1.615 1.00 0.25 H new ATOM 0 HB3 TYR A 62 21.671 1.428 -0.135 1.00 0.25 H new ATOM 0 HD1 TYR A 62 24.336 0.929 2.522 1.00 0.29 H new ATOM 0 HD2 TYR A 62 22.272 -0.704 -0.895 1.00 0.27 H new ATOM 0 HE1 TYR A 62 25.834 -1.055 2.558 1.00 0.32 H new ATOM 0 HE2 TYR A 62 23.777 -2.681 -0.859 1.00 0.29 H new ATOM 0 HH TYR A 62 25.492 -3.709 0.146 1.00 0.34 H new ATOM 948 N VAL A 63 21.380 4.498 1.045 1.00 0.27 N ATOM 949 CA VAL A 63 20.550 5.619 0.536 1.00 0.28 C ATOM 950 C VAL A 63 21.472 6.787 0.216 1.00 0.32 C ATOM 951 O VAL A 63 21.309 7.475 -0.770 1.00 0.34 O ATOM 952 CB VAL A 63 19.539 6.029 1.613 1.00 0.28 C ATOM 953 CG1 VAL A 63 18.885 7.364 1.241 1.00 0.32 C ATOM 954 CG2 VAL A 63 18.458 4.950 1.729 1.00 0.25 C ATOM 0 H VAL A 63 21.225 4.252 2.023 1.00 0.27 H new ATOM 0 HA VAL A 63 20.008 5.319 -0.360 1.00 0.28 H new ATOM 0 HB VAL A 63 20.057 6.139 2.566 1.00 0.28 H new ATOM 0 HG11 VAL A 63 18.169 7.646 2.013 1.00 0.32 H new ATOM 0 HG12 VAL A 63 19.652 8.134 1.159 1.00 0.32 H new ATOM 0 HG13 VAL A 63 18.369 7.263 0.286 1.00 0.32 H new ATOM 0 HG21 VAL A 63 17.737 5.238 2.494 1.00 0.25 H new ATOM 0 HG22 VAL A 63 17.948 4.842 0.772 1.00 0.25 H new ATOM 0 HG23 VAL A 63 18.919 4.001 2.004 1.00 0.25 H new ATOM 964 N TYR A 64 22.447 7.006 1.047 1.00 0.34 N ATOM 965 CA TYR A 64 23.390 8.123 0.804 1.00 0.38 C ATOM 966 C TYR A 64 24.127 7.873 -0.509 1.00 0.38 C ATOM 967 O TYR A 64 24.309 8.762 -1.315 1.00 0.41 O ATOM 968 CB TYR A 64 24.399 8.190 1.955 1.00 0.41 C ATOM 969 CG TYR A 64 25.063 9.549 1.977 1.00 0.46 C ATOM 970 CD1 TYR A 64 24.368 10.662 2.488 1.00 0.48 C ATOM 971 CD2 TYR A 64 26.375 9.701 1.487 1.00 0.49 C ATOM 972 CE1 TYR A 64 24.986 11.927 2.509 1.00 0.52 C ATOM 973 CE2 TYR A 64 26.991 10.967 1.509 1.00 0.54 C ATOM 974 CZ TYR A 64 26.297 12.080 2.020 1.00 0.55 C ATOM 975 OH TYR A 64 26.902 13.320 2.041 1.00 0.60 O ATOM 0 H TYR A 64 22.631 6.457 1.887 1.00 0.34 H new ATOM 0 HA TYR A 64 22.845 9.065 0.745 1.00 0.38 H new ATOM 0 HB2 TYR A 64 23.895 8.006 2.904 1.00 0.41 H new ATOM 0 HB3 TYR A 64 25.151 7.410 1.837 1.00 0.41 H new ATOM 0 HD1 TYR A 64 23.362 10.545 2.863 1.00 0.48 H new ATOM 0 HD2 TYR A 64 26.908 8.847 1.095 1.00 0.49 H new ATOM 0 HE1 TYR A 64 24.453 12.781 2.901 1.00 0.52 H new ATOM 0 HE2 TYR A 64 27.997 11.084 1.133 1.00 0.54 H new ATOM 0 HH TYR A 64 27.806 13.250 1.668 1.00 0.60 H new ATOM 985 N ASP A 65 24.548 6.662 -0.723 1.00 0.36 N ATOM 986 CA ASP A 65 25.277 6.331 -1.979 1.00 0.37 C ATOM 987 C ASP A 65 24.358 6.564 -3.181 1.00 0.37 C ATOM 988 O ASP A 65 24.793 6.973 -4.240 1.00 0.40 O ATOM 989 CB ASP A 65 25.706 4.860 -1.935 1.00 0.35 C ATOM 990 CG ASP A 65 26.957 4.710 -1.065 1.00 0.39 C ATOM 991 OD1 ASP A 65 27.074 5.445 -0.098 1.00 1.11 O ATOM 992 OD2 ASP A 65 27.777 3.864 -1.382 1.00 1.15 O ATOM 0 H ASP A 65 24.419 5.881 -0.080 1.00 0.36 H new ATOM 0 HA ASP A 65 26.157 6.967 -2.073 1.00 0.37 H new ATOM 0 HB2 ASP A 65 24.898 4.248 -1.534 1.00 0.35 H new ATOM 0 HB3 ASP A 65 25.908 4.500 -2.944 1.00 0.35 H new ATOM 997 N LEU A 66 23.093 6.304 -3.022 1.00 0.33 N ATOM 998 CA LEU A 66 22.137 6.505 -4.147 1.00 0.34 C ATOM 999 C LEU A 66 21.928 8.004 -4.378 1.00 0.39 C ATOM 1000 O LEU A 66 21.676 8.443 -5.483 1.00 0.42 O ATOM 1001 CB LEU A 66 20.803 5.839 -3.783 1.00 0.31 C ATOM 1002 CG LEU A 66 20.877 4.320 -4.047 1.00 0.28 C ATOM 1003 CD1 LEU A 66 19.811 3.599 -3.218 1.00 0.24 C ATOM 1004 CD2 LEU A 66 20.623 4.021 -5.534 1.00 0.30 C ATOM 0 H LEU A 66 22.676 5.959 -2.157 1.00 0.33 H new ATOM 0 HA LEU A 66 22.532 6.060 -5.060 1.00 0.34 H new ATOM 0 HB2 LEU A 66 20.571 6.022 -2.734 1.00 0.31 H new ATOM 0 HB3 LEU A 66 19.996 6.279 -4.370 1.00 0.31 H new ATOM 0 HG LEU A 66 21.872 3.971 -3.769 1.00 0.28 H new ATOM 0 HD11 LEU A 66 19.866 2.527 -3.407 1.00 0.24 H new ATOM 0 HD12 LEU A 66 19.983 3.790 -2.159 1.00 0.24 H new ATOM 0 HD13 LEU A 66 18.823 3.966 -3.497 1.00 0.24 H new ATOM 0 HD21 LEU A 66 20.679 2.946 -5.704 1.00 0.30 H new ATOM 0 HD22 LEU A 66 19.633 4.382 -5.814 1.00 0.30 H new ATOM 0 HD23 LEU A 66 21.377 4.523 -6.140 1.00 0.30 H new ATOM 1016 N GLU A 67 22.035 8.790 -3.346 1.00 0.40 N ATOM 1017 CA GLU A 67 21.849 10.260 -3.505 1.00 0.45 C ATOM 1018 C GLU A 67 23.060 10.841 -4.232 1.00 0.50 C ATOM 1019 O GLU A 67 22.965 11.838 -4.923 1.00 0.55 O ATOM 1020 CB GLU A 67 21.730 10.907 -2.123 1.00 0.46 C ATOM 1021 CG GLU A 67 20.435 10.447 -1.449 1.00 0.44 C ATOM 1022 CD GLU A 67 19.248 11.234 -2.010 1.00 1.13 C ATOM 1023 OE1 GLU A 67 19.173 12.423 -1.747 1.00 1.88 O ATOM 1024 OE2 GLU A 67 18.435 10.634 -2.694 1.00 1.81 O ATOM 0 H GLU A 67 22.243 8.479 -2.397 1.00 0.40 H new ATOM 0 HA GLU A 67 20.944 10.457 -4.080 1.00 0.45 H new ATOM 0 HB2 GLU A 67 22.588 10.635 -1.508 1.00 0.46 H new ATOM 0 HB3 GLU A 67 21.737 11.993 -2.217 1.00 0.46 H new ATOM 0 HG2 GLU A 67 20.287 9.380 -1.616 1.00 0.44 H new ATOM 0 HG3 GLU A 67 20.503 10.594 -0.371 1.00 0.44 H new ATOM 1031 N LEU A 68 24.197 10.223 -4.085 1.00 0.49 N ATOM 1032 CA LEU A 68 25.417 10.733 -4.771 1.00 0.54 C ATOM 1033 C LEU A 68 25.372 10.344 -6.250 1.00 0.56 C ATOM 1034 O LEU A 68 24.737 10.997 -7.054 1.00 0.62 O ATOM 1035 CB LEU A 68 26.662 10.126 -4.130 1.00 0.55 C ATOM 1036 CG LEU A 68 26.774 10.580 -2.671 1.00 0.55 C ATOM 1037 CD1 LEU A 68 27.977 9.889 -2.039 1.00 0.56 C ATOM 1038 CD2 LEU A 68 26.957 12.110 -2.591 1.00 0.61 C ATOM 0 H LEU A 68 24.335 9.386 -3.519 1.00 0.49 H new ATOM 0 HA LEU A 68 25.453 11.818 -4.677 1.00 0.54 H new ATOM 0 HB2 LEU A 68 26.612 9.038 -4.178 1.00 0.55 H new ATOM 0 HB3 LEU A 68 27.551 10.429 -4.683 1.00 0.55 H new ATOM 0 HG LEU A 68 25.860 10.315 -2.139 1.00 0.55 H new ATOM 0 HD11 LEU A 68 28.071 10.202 -0.999 1.00 0.56 H new ATOM 0 HD12 LEU A 68 27.840 8.808 -2.082 1.00 0.56 H new ATOM 0 HD13 LEU A 68 28.881 10.162 -2.583 1.00 0.56 H new ATOM 0 HD21 LEU A 68 27.035 12.413 -1.547 1.00 0.61 H new ATOM 0 HD22 LEU A 68 27.866 12.396 -3.120 1.00 0.61 H new ATOM 0 HD23 LEU A 68 26.100 12.603 -3.049 1.00 0.61 H new ATOM 1050 N ASN A 69 26.041 9.283 -6.617 1.00 0.61 N ATOM 1051 CA ASN A 69 26.040 8.848 -8.044 1.00 0.64 C ATOM 1052 C ASN A 69 24.866 7.897 -8.287 1.00 0.70 C ATOM 1053 O ASN A 69 24.823 6.863 -7.641 1.00 1.15 O ATOM 1054 CB ASN A 69 27.351 8.124 -8.357 1.00 0.82 C ATOM 1055 CG ASN A 69 27.338 7.650 -9.811 1.00 1.67 C ATOM 1056 OD1 ASN A 69 27.969 6.668 -10.149 1.00 2.45 O ATOM 1057 ND2 ASN A 69 26.641 8.312 -10.693 1.00 2.41 N ATOM 1058 OXT ASN A 69 24.029 8.219 -9.115 1.00 1.44 O ATOM 0 H ASN A 69 26.590 8.697 -5.988 1.00 0.61 H new ATOM 0 HA ASN A 69 25.942 9.721 -8.689 1.00 0.64 H new ATOM 0 HB2 ASN A 69 28.196 8.791 -8.189 1.00 0.82 H new ATOM 0 HB3 ASN A 69 27.478 7.273 -7.687 1.00 0.82 H new ATOM 0 HD21 ASN A 69 26.626 8.005 -11.666 1.00 2.41 H new ATOM 0 HD22 ASN A 69 26.111 9.136 -10.410 1.00 2.41 H new TER 1065 ASN A 69 ATOM 1066 N ALA B 1 7.287 -19.575 -9.783 1.00 3.98 N ATOM 1067 CA ALA B 1 8.428 -18.782 -10.324 1.00 3.41 C ATOM 1068 C ALA B 1 9.011 -17.913 -9.189 1.00 2.89 C ATOM 1069 O ALA B 1 8.364 -17.729 -8.177 1.00 2.91 O ATOM 1070 CB ALA B 1 7.913 -17.897 -11.483 1.00 3.83 C ATOM 0 H1 ALA B 1 7.565 -20.574 -9.703 1.00 3.98 H new ATOM 0 H2 ALA B 1 7.026 -19.212 -8.844 1.00 3.98 H new ATOM 0 H3 ALA B 1 6.472 -19.493 -10.424 1.00 3.98 H new ATOM 0 HA ALA B 1 9.212 -19.438 -10.703 1.00 3.41 H new ATOM 0 HB1 ALA B 1 8.738 -17.311 -11.888 1.00 3.83 H new ATOM 0 HB2 ALA B 1 7.498 -18.530 -12.267 1.00 3.83 H new ATOM 0 HB3 ALA B 1 7.139 -17.225 -11.112 1.00 3.83 H new ATOM 1078 N PRO B 2 10.209 -17.400 -9.382 1.00 2.53 N ATOM 1079 CA PRO B 2 10.854 -16.551 -8.362 1.00 2.14 C ATOM 1080 C PRO B 2 9.995 -15.305 -8.103 1.00 1.85 C ATOM 1081 O PRO B 2 9.908 -14.420 -8.930 1.00 1.89 O ATOM 1082 CB PRO B 2 12.225 -16.171 -8.972 1.00 1.96 C ATOM 1083 CG PRO B 2 12.245 -16.704 -10.432 1.00 2.21 C ATOM 1084 CD PRO B 2 11.011 -17.615 -10.608 1.00 2.60 C ATOM 0 HA PRO B 2 10.970 -17.055 -7.403 1.00 2.14 H new ATOM 0 HB2 PRO B 2 12.367 -15.090 -8.955 1.00 1.96 H new ATOM 0 HB3 PRO B 2 13.038 -16.608 -8.392 1.00 1.96 H new ATOM 0 HG2 PRO B 2 12.217 -15.878 -11.143 1.00 2.21 H new ATOM 0 HG3 PRO B 2 13.163 -17.259 -10.625 1.00 2.21 H new ATOM 0 HD2 PRO B 2 10.447 -17.350 -11.502 1.00 2.60 H new ATOM 0 HD3 PRO B 2 11.302 -18.660 -10.713 1.00 2.60 H new ATOM 1092 N MET B 3 9.369 -15.228 -6.962 1.00 1.69 N ATOM 1093 CA MET B 3 8.529 -14.036 -6.658 1.00 1.53 C ATOM 1094 C MET B 3 9.438 -12.882 -6.235 1.00 1.17 C ATOM 1095 O MET B 3 10.584 -13.081 -5.884 1.00 0.99 O ATOM 1096 CB MET B 3 7.560 -14.368 -5.520 1.00 1.63 C ATOM 1097 CG MET B 3 8.348 -14.835 -4.295 1.00 2.15 C ATOM 1098 SD MET B 3 7.197 -15.349 -2.997 1.00 2.54 S ATOM 1099 CE MET B 3 8.271 -16.577 -2.214 1.00 3.59 C ATOM 0 H MET B 3 9.402 -15.936 -6.229 1.00 1.69 H new ATOM 0 HA MET B 3 7.959 -13.752 -7.543 1.00 1.53 H new ATOM 0 HB2 MET B 3 6.964 -13.491 -5.269 1.00 1.63 H new ATOM 0 HB3 MET B 3 6.865 -15.146 -5.836 1.00 1.63 H new ATOM 0 HG2 MET B 3 9.002 -15.664 -4.565 1.00 2.15 H new ATOM 0 HG3 MET B 3 8.987 -14.030 -3.932 1.00 2.15 H new ATOM 0 HE1 MET B 3 7.751 -17.030 -1.370 1.00 3.59 H new ATOM 0 HE2 MET B 3 8.529 -17.350 -2.938 1.00 3.59 H new ATOM 0 HE3 MET B 3 9.181 -16.092 -1.861 1.00 3.59 H new ATOM 1109 N GLY B 4 8.943 -11.675 -6.267 1.00 1.14 N ATOM 1110 CA GLY B 4 9.793 -10.518 -5.866 1.00 0.89 C ATOM 1111 C GLY B 4 10.345 -10.758 -4.458 1.00 0.62 C ATOM 1112 O GLY B 4 10.215 -11.834 -3.908 1.00 0.70 O ATOM 0 H GLY B 4 7.992 -11.440 -6.552 1.00 1.14 H new ATOM 0 HA2 GLY B 4 10.613 -10.392 -6.573 1.00 0.89 H new ATOM 0 HA3 GLY B 4 9.209 -9.598 -5.888 1.00 0.89 H new ATOM 1116 N SER B 5 10.971 -9.771 -3.871 1.00 0.44 N ATOM 1117 CA SER B 5 11.544 -9.956 -2.502 1.00 0.30 C ATOM 1118 C SER B 5 10.496 -9.606 -1.428 1.00 0.27 C ATOM 1119 O SER B 5 9.902 -10.480 -0.829 1.00 0.30 O ATOM 1120 CB SER B 5 12.796 -9.075 -2.358 1.00 0.49 C ATOM 1121 OG SER B 5 13.931 -9.912 -2.181 1.00 1.52 O ATOM 0 H SER B 5 11.111 -8.846 -4.278 1.00 0.44 H new ATOM 0 HA SER B 5 11.825 -11.000 -2.361 1.00 0.30 H new ATOM 0 HB2 SER B 5 12.922 -8.452 -3.243 1.00 0.49 H new ATOM 0 HB3 SER B 5 12.688 -8.402 -1.507 1.00 0.49 H new ATOM 0 HG SER B 5 14.735 -9.359 -2.090 1.00 1.52 H new ATOM 1127 N ASP B 6 10.275 -8.340 -1.167 1.00 0.24 N ATOM 1128 CA ASP B 6 9.277 -7.962 -0.115 1.00 0.23 C ATOM 1129 C ASP B 6 8.760 -6.537 -0.363 1.00 0.21 C ATOM 1130 O ASP B 6 9.129 -5.624 0.348 1.00 0.20 O ATOM 1131 CB ASP B 6 9.948 -8.008 1.265 1.00 0.25 C ATOM 1132 CG ASP B 6 10.736 -9.310 1.414 1.00 1.26 C ATOM 1133 OD1 ASP B 6 10.110 -10.340 1.603 1.00 2.00 O ATOM 1134 OD2 ASP B 6 11.952 -9.255 1.337 1.00 2.03 O ATOM 0 H ASP B 6 10.737 -7.558 -1.631 1.00 0.24 H new ATOM 0 HA ASP B 6 8.444 -8.664 -0.154 1.00 0.23 H new ATOM 0 HB2 ASP B 6 10.614 -7.153 1.385 1.00 0.25 H new ATOM 0 HB3 ASP B 6 9.194 -7.937 2.049 1.00 0.25 H new ATOM 1139 N PRO B 7 7.919 -6.374 -1.362 1.00 0.22 N ATOM 1140 CA PRO B 7 7.361 -5.047 -1.690 1.00 0.22 C ATOM 1141 C PRO B 7 6.439 -4.566 -0.545 1.00 0.20 C ATOM 1142 O PRO B 7 6.071 -5.348 0.308 1.00 0.20 O ATOM 1143 CB PRO B 7 6.565 -5.268 -3.000 1.00 0.25 C ATOM 1144 CG PRO B 7 6.652 -6.785 -3.353 1.00 0.27 C ATOM 1145 CD PRO B 7 7.469 -7.476 -2.239 1.00 0.26 C ATOM 0 HA PRO B 7 8.128 -4.282 -1.812 1.00 0.22 H new ATOM 0 HB2 PRO B 7 5.526 -4.963 -2.873 1.00 0.25 H new ATOM 0 HB3 PRO B 7 6.979 -4.663 -3.806 1.00 0.25 H new ATOM 0 HG2 PRO B 7 5.655 -7.220 -3.423 1.00 0.27 H new ATOM 0 HG3 PRO B 7 7.130 -6.926 -4.322 1.00 0.27 H new ATOM 0 HD2 PRO B 7 6.861 -8.195 -1.690 1.00 0.26 H new ATOM 0 HD3 PRO B 7 8.316 -8.024 -2.652 1.00 0.26 H new ATOM 1153 N PRO B 8 6.082 -3.294 -0.564 1.00 0.21 N ATOM 1154 CA PRO B 8 5.194 -2.719 0.471 1.00 0.22 C ATOM 1155 C PRO B 8 3.824 -3.416 0.435 1.00 0.22 C ATOM 1156 O PRO B 8 3.692 -4.523 -0.049 1.00 0.22 O ATOM 1157 CB PRO B 8 5.071 -1.220 0.096 1.00 0.24 C ATOM 1158 CG PRO B 8 5.776 -1.026 -1.277 1.00 0.26 C ATOM 1159 CD PRO B 8 6.529 -2.335 -1.597 1.00 0.24 C ATOM 0 HA PRO B 8 5.582 -2.850 1.481 1.00 0.22 H new ATOM 0 HB2 PRO B 8 4.024 -0.924 0.035 1.00 0.24 H new ATOM 0 HB3 PRO B 8 5.535 -0.594 0.858 1.00 0.24 H new ATOM 0 HG2 PRO B 8 5.046 -0.803 -2.055 1.00 0.26 H new ATOM 0 HG3 PRO B 8 6.468 -0.185 -1.238 1.00 0.26 H new ATOM 0 HD2 PRO B 8 6.290 -2.693 -2.598 1.00 0.24 H new ATOM 0 HD3 PRO B 8 7.609 -2.189 -1.560 1.00 0.24 H new ATOM 1167 N THR B 9 2.805 -2.772 0.945 1.00 0.23 N ATOM 1168 CA THR B 9 1.446 -3.390 0.941 1.00 0.24 C ATOM 1169 C THR B 9 0.383 -2.292 0.957 1.00 0.24 C ATOM 1170 O THR B 9 0.393 -1.411 1.794 1.00 0.25 O ATOM 1171 CB THR B 9 1.284 -4.265 2.182 1.00 0.25 C ATOM 1172 OG1 THR B 9 2.426 -5.097 2.326 1.00 0.26 O ATOM 1173 CG2 THR B 9 0.032 -5.132 2.040 1.00 0.29 C ATOM 0 H THR B 9 2.856 -1.844 1.364 1.00 0.23 H new ATOM 0 HA THR B 9 1.328 -3.998 0.044 1.00 0.24 H new ATOM 0 HB THR B 9 1.184 -3.630 3.062 1.00 0.25 H new ATOM 0 HG1 THR B 9 2.455 -5.459 3.236 1.00 0.26 H new ATOM 0 HG21 THR B 9 -0.081 -5.755 2.927 1.00 0.29 H new ATOM 0 HG22 THR B 9 -0.844 -4.492 1.932 1.00 0.29 H new ATOM 0 HG23 THR B 9 0.127 -5.767 1.160 1.00 0.29 H new ATOM 1181 N ALA B 10 -0.537 -2.345 0.036 1.00 0.23 N ATOM 1182 CA ALA B 10 -1.610 -1.313 -0.014 1.00 0.23 C ATOM 1183 C ALA B 10 -2.545 -1.484 1.183 1.00 0.22 C ATOM 1184 O ALA B 10 -3.595 -2.085 1.077 1.00 0.27 O ATOM 1185 CB ALA B 10 -2.405 -1.483 -1.306 1.00 0.23 C ATOM 0 H ALA B 10 -0.593 -3.062 -0.688 1.00 0.23 H new ATOM 0 HA ALA B 10 -1.163 -0.319 0.018 1.00 0.23 H new ATOM 0 HB1 ALA B 10 -3.193 -0.731 -1.350 1.00 0.23 H new ATOM 0 HB2 ALA B 10 -1.740 -1.362 -2.161 1.00 0.23 H new ATOM 0 HB3 ALA B 10 -2.851 -2.477 -1.331 1.00 0.23 H new ATOM 1191 N CYS B 11 -2.175 -0.948 2.318 1.00 0.25 N ATOM 1192 CA CYS B 11 -3.038 -1.058 3.534 1.00 0.25 C ATOM 1193 C CYS B 11 -3.640 0.316 3.831 1.00 0.25 C ATOM 1194 O CYS B 11 -2.967 1.326 3.761 1.00 0.26 O ATOM 1195 CB CYS B 11 -2.187 -1.511 4.724 1.00 0.25 C ATOM 1196 SG CYS B 11 -1.331 -3.051 4.302 1.00 0.34 S ATOM 0 H CYS B 11 -1.305 -0.434 2.456 1.00 0.25 H new ATOM 0 HA CYS B 11 -3.832 -1.785 3.364 1.00 0.25 H new ATOM 0 HB2 CYS B 11 -1.463 -0.738 4.982 1.00 0.25 H new ATOM 0 HB3 CYS B 11 -2.818 -1.661 5.600 1.00 0.25 H new ATOM 1201 N CYS B 12 -4.904 0.367 4.151 1.00 0.24 N ATOM 1202 CA CYS B 12 -5.540 1.682 4.442 1.00 0.24 C ATOM 1203 C CYS B 12 -5.017 2.220 5.774 1.00 0.24 C ATOM 1204 O CYS B 12 -4.825 1.481 6.720 1.00 0.27 O ATOM 1205 CB CYS B 12 -7.059 1.513 4.522 1.00 0.24 C ATOM 1206 SG CYS B 12 -7.686 0.911 2.934 1.00 0.24 S ATOM 0 H CYS B 12 -5.521 -0.442 4.223 1.00 0.24 H new ATOM 0 HA CYS B 12 -5.295 2.384 3.645 1.00 0.24 H new ATOM 0 HB2 CYS B 12 -7.316 0.811 5.316 1.00 0.24 H new ATOM 0 HB3 CYS B 12 -7.528 2.464 4.773 1.00 0.24 H new ATOM 1211 N PHE B 13 -4.793 3.506 5.856 1.00 0.25 N ATOM 1212 CA PHE B 13 -4.289 4.112 7.126 1.00 0.27 C ATOM 1213 C PHE B 13 -5.464 4.773 7.847 1.00 0.24 C ATOM 1214 O PHE B 13 -5.413 5.055 9.027 1.00 0.26 O ATOM 1215 CB PHE B 13 -3.233 5.171 6.797 1.00 0.30 C ATOM 1216 CG PHE B 13 -3.883 6.311 6.049 1.00 0.31 C ATOM 1217 CD1 PHE B 13 -4.167 6.181 4.677 1.00 0.31 C ATOM 1218 CD2 PHE B 13 -4.214 7.499 6.727 1.00 0.35 C ATOM 1219 CE1 PHE B 13 -4.779 7.239 3.981 1.00 0.34 C ATOM 1220 CE2 PHE B 13 -4.826 8.559 6.033 1.00 0.37 C ATOM 1221 CZ PHE B 13 -5.110 8.429 4.659 1.00 0.37 C ATOM 0 H PHE B 13 -4.938 4.167 5.093 1.00 0.25 H new ATOM 0 HA PHE B 13 -3.844 3.344 7.759 1.00 0.27 H new ATOM 0 HB2 PHE B 13 -2.773 5.539 7.714 1.00 0.30 H new ATOM 0 HB3 PHE B 13 -2.438 4.733 6.194 1.00 0.30 H new ATOM 0 HD1 PHE B 13 -3.915 5.268 4.158 1.00 0.31 H new ATOM 0 HD2 PHE B 13 -3.998 7.597 7.781 1.00 0.35 H new ATOM 0 HE1 PHE B 13 -4.995 7.139 2.928 1.00 0.34 H new ATOM 0 HE2 PHE B 13 -5.078 9.471 6.553 1.00 0.37 H new ATOM 0 HZ PHE B 13 -5.581 9.241 4.126 1.00 0.37 H new ATOM 1231 N SER B 14 -6.527 5.017 7.130 1.00 0.21 N ATOM 1232 CA SER B 14 -7.723 5.656 7.741 1.00 0.20 C ATOM 1233 C SER B 14 -8.949 5.296 6.902 1.00 0.18 C ATOM 1234 O SER B 14 -8.999 4.254 6.280 1.00 0.17 O ATOM 1235 CB SER B 14 -7.541 7.174 7.760 1.00 0.20 C ATOM 1236 OG SER B 14 -7.667 7.679 6.437 1.00 0.25 O ATOM 0 H SER B 14 -6.617 4.798 6.138 1.00 0.21 H new ATOM 0 HA SER B 14 -7.854 5.302 8.764 1.00 0.20 H new ATOM 0 HB2 SER B 14 -8.287 7.633 8.409 1.00 0.20 H new ATOM 0 HB3 SER B 14 -6.563 7.429 8.167 1.00 0.20 H new ATOM 0 HG SER B 14 -6.776 7.798 6.046 1.00 0.25 H new ATOM 1242 N TYR B 15 -9.942 6.143 6.876 1.00 0.19 N ATOM 1243 CA TYR B 15 -11.163 5.836 6.072 1.00 0.20 C ATOM 1244 C TYR B 15 -11.857 7.141 5.686 1.00 0.24 C ATOM 1245 O TYR B 15 -11.668 8.164 6.313 1.00 0.29 O ATOM 1246 CB TYR B 15 -12.119 4.972 6.902 1.00 0.22 C ATOM 1247 CG TYR B 15 -11.332 3.930 7.660 1.00 0.21 C ATOM 1248 CD1 TYR B 15 -10.987 2.715 7.038 1.00 0.21 C ATOM 1249 CD2 TYR B 15 -10.937 4.178 8.989 1.00 0.25 C ATOM 1250 CE1 TYR B 15 -10.248 1.748 7.746 1.00 0.23 C ATOM 1251 CE2 TYR B 15 -10.198 3.210 9.696 1.00 0.28 C ATOM 1252 CZ TYR B 15 -9.854 1.995 9.075 1.00 0.27 C ATOM 1253 OH TYR B 15 -9.130 1.046 9.767 1.00 0.32 O ATOM 0 H TYR B 15 -9.962 7.032 7.375 1.00 0.19 H new ATOM 0 HA TYR B 15 -10.879 5.295 5.170 1.00 0.20 H new ATOM 0 HB2 TYR B 15 -12.679 5.597 7.598 1.00 0.22 H new ATOM 0 HB3 TYR B 15 -12.847 4.489 6.250 1.00 0.22 H new ATOM 0 HD1 TYR B 15 -11.289 2.525 6.019 1.00 0.21 H new ATOM 0 HD2 TYR B 15 -11.201 5.110 9.466 1.00 0.25 H new ATOM 0 HE1 TYR B 15 -9.983 0.816 7.269 1.00 0.23 H new ATOM 0 HE2 TYR B 15 -9.895 3.400 10.715 1.00 0.28 H new ATOM 0 HH TYR B 15 -8.938 1.375 10.670 1.00 0.32 H new ATOM 1263 N THR B 16 -12.661 7.116 4.659 1.00 0.22 N ATOM 1264 CA THR B 16 -13.364 8.363 4.246 1.00 0.28 C ATOM 1265 C THR B 16 -14.248 8.844 5.398 1.00 0.32 C ATOM 1266 O THR B 16 -13.989 8.560 6.550 1.00 0.38 O ATOM 1267 CB THR B 16 -14.206 8.100 2.991 1.00 0.28 C ATOM 1268 OG1 THR B 16 -14.818 9.310 2.570 1.00 0.39 O ATOM 1269 CG2 THR B 16 -15.288 7.058 3.287 1.00 0.27 C ATOM 0 H THR B 16 -12.861 6.292 4.091 1.00 0.22 H new ATOM 0 HA THR B 16 -12.634 9.137 4.009 1.00 0.28 H new ATOM 0 HB THR B 16 -13.556 7.721 2.202 1.00 0.28 H new ATOM 0 HG1 THR B 16 -14.216 9.787 1.961 1.00 0.39 H new ATOM 0 HG21 THR B 16 -15.878 6.881 2.388 1.00 0.27 H new ATOM 0 HG22 THR B 16 -14.819 6.126 3.603 1.00 0.27 H new ATOM 0 HG23 THR B 16 -15.938 7.424 4.081 1.00 0.27 H new ATOM 1277 N ALA B 17 -15.287 9.576 5.101 1.00 0.36 N ATOM 1278 CA ALA B 17 -16.185 10.081 6.183 1.00 0.42 C ATOM 1279 C ALA B 17 -17.626 10.108 5.674 1.00 0.45 C ATOM 1280 O ALA B 17 -18.564 9.937 6.427 1.00 0.63 O ATOM 1281 CB ALA B 17 -15.754 11.495 6.575 1.00 0.50 C ATOM 0 H ALA B 17 -15.555 9.847 4.155 1.00 0.36 H new ATOM 0 HA ALA B 17 -16.120 9.426 7.052 1.00 0.42 H new ATOM 0 HB1 ALA B 17 -16.406 11.868 7.364 1.00 0.50 H new ATOM 0 HB2 ALA B 17 -14.725 11.475 6.933 1.00 0.50 H new ATOM 0 HB3 ALA B 17 -15.823 12.150 5.707 1.00 0.50 H new ATOM 1287 N ARG B 18 -17.810 10.320 4.399 1.00 0.47 N ATOM 1288 CA ARG B 18 -19.188 10.355 3.831 1.00 0.48 C ATOM 1289 C ARG B 18 -19.531 8.975 3.268 1.00 0.41 C ATOM 1290 O ARG B 18 -18.822 8.440 2.439 1.00 0.37 O ATOM 1291 CB ARG B 18 -19.251 11.389 2.697 1.00 0.53 C ATOM 1292 CG ARG B 18 -19.138 12.823 3.263 1.00 0.70 C ATOM 1293 CD ARG B 18 -17.654 13.224 3.460 1.00 1.15 C ATOM 1294 NE ARG B 18 -17.470 13.873 4.799 1.00 1.96 N ATOM 1295 CZ ARG B 18 -18.283 14.808 5.221 1.00 2.64 C ATOM 1296 NH1 ARG B 18 -19.223 15.269 4.444 1.00 2.84 N ATOM 1297 NH2 ARG B 18 -18.134 15.302 6.420 1.00 3.63 N ATOM 0 H ARG B 18 -17.061 10.471 3.723 1.00 0.47 H new ATOM 0 HA ARG B 18 -19.898 10.627 4.612 1.00 0.48 H new ATOM 0 HB2 ARG B 18 -18.444 11.208 1.987 1.00 0.53 H new ATOM 0 HB3 ARG B 18 -20.188 11.281 2.150 1.00 0.53 H new ATOM 0 HG2 ARG B 18 -19.622 13.525 2.584 1.00 0.70 H new ATOM 0 HG3 ARG B 18 -19.665 12.885 4.215 1.00 0.70 H new ATOM 0 HD2 ARG B 18 -17.018 12.342 3.384 1.00 1.15 H new ATOM 0 HD3 ARG B 18 -17.346 13.909 2.670 1.00 1.15 H new ATOM 0 HE ARG B 18 -16.695 13.580 5.394 1.00 1.96 H new ATOM 0 HH11 ARG B 18 -19.329 14.901 3.499 1.00 2.84 H new ATOM 0 HH12 ARG B 18 -19.852 15.998 4.781 1.00 2.84 H new ATOM 0 HH21 ARG B 18 -17.387 14.959 7.024 1.00 3.63 H new ATOM 0 HH22 ARG B 18 -18.765 16.031 6.753 1.00 3.63 H new ATOM 1311 N LYS B 19 -20.612 8.395 3.709 1.00 0.40 N ATOM 1312 CA LYS B 19 -20.997 7.053 3.193 1.00 0.35 C ATOM 1313 C LYS B 19 -21.282 7.164 1.692 1.00 0.31 C ATOM 1314 O LYS B 19 -22.016 8.025 1.250 1.00 0.33 O ATOM 1315 CB LYS B 19 -22.241 6.561 3.950 1.00 0.38 C ATOM 1316 CG LYS B 19 -22.913 5.410 3.184 1.00 0.40 C ATOM 1317 CD LYS B 19 -23.837 4.614 4.119 1.00 0.62 C ATOM 1318 CE LYS B 19 -25.168 5.342 4.304 1.00 0.97 C ATOM 1319 NZ LYS B 19 -24.952 6.601 5.071 1.00 1.79 N ATOM 0 H LYS B 19 -21.245 8.792 4.404 1.00 0.40 H new ATOM 0 HA LYS B 19 -20.190 6.337 3.347 1.00 0.35 H new ATOM 0 HB2 LYS B 19 -21.959 6.226 4.948 1.00 0.38 H new ATOM 0 HB3 LYS B 19 -22.946 7.383 4.077 1.00 0.38 H new ATOM 0 HG2 LYS B 19 -23.487 5.808 2.347 1.00 0.40 H new ATOM 0 HG3 LYS B 19 -22.153 4.751 2.765 1.00 0.40 H new ATOM 0 HD2 LYS B 19 -24.013 3.621 3.706 1.00 0.62 H new ATOM 0 HD3 LYS B 19 -23.354 4.476 5.086 1.00 0.62 H new ATOM 0 HE2 LYS B 19 -25.608 5.568 3.332 1.00 0.97 H new ATOM 0 HE3 LYS B 19 -25.874 4.700 4.832 1.00 0.97 H new ATOM 0 HZ1 LYS B 19 -25.772 6.778 5.685 1.00 1.79 H new ATOM 0 HZ2 LYS B 19 -24.096 6.510 5.654 1.00 1.79 H new ATOM 0 HZ3 LYS B 19 -24.837 7.395 4.409 1.00 1.79 H new ATOM 1333 N LEU B 20 -20.690 6.308 0.905 1.00 0.27 N ATOM 1334 CA LEU B 20 -20.907 6.369 -0.567 1.00 0.27 C ATOM 1335 C LEU B 20 -22.320 5.847 -0.917 1.00 0.27 C ATOM 1336 O LEU B 20 -22.597 4.690 -0.670 1.00 0.27 O ATOM 1337 CB LEU B 20 -19.880 5.470 -1.260 1.00 0.24 C ATOM 1338 CG LEU B 20 -18.498 5.674 -0.641 1.00 0.23 C ATOM 1339 CD1 LEU B 20 -17.463 4.921 -1.476 1.00 0.22 C ATOM 1340 CD2 LEU B 20 -18.146 7.165 -0.625 1.00 0.27 C ATOM 0 H LEU B 20 -20.064 5.567 1.220 1.00 0.27 H new ATOM 0 HA LEU B 20 -20.803 7.402 -0.898 1.00 0.27 H new ATOM 0 HB2 LEU B 20 -20.178 4.426 -1.166 1.00 0.24 H new ATOM 0 HB3 LEU B 20 -19.847 5.698 -2.325 1.00 0.24 H new ATOM 0 HG LEU B 20 -18.501 5.297 0.382 1.00 0.23 H new ATOM 0 HD11 LEU B 20 -16.473 5.061 -1.041 1.00 0.22 H new ATOM 0 HD12 LEU B 20 -17.707 3.859 -1.487 1.00 0.22 H new ATOM 0 HD13 LEU B 20 -17.469 5.305 -2.496 1.00 0.22 H new ATOM 0 HD21 LEU B 20 -17.159 7.301 -0.182 1.00 0.27 H new ATOM 0 HD22 LEU B 20 -18.142 7.549 -1.645 1.00 0.27 H new ATOM 0 HD23 LEU B 20 -18.886 7.707 -0.036 1.00 0.27 H new ATOM 1352 N PRO B 21 -23.180 6.667 -1.504 1.00 0.31 N ATOM 1353 CA PRO B 21 -24.524 6.190 -1.878 1.00 0.34 C ATOM 1354 C PRO B 21 -24.392 4.971 -2.793 1.00 0.30 C ATOM 1355 O PRO B 21 -23.461 4.866 -3.562 1.00 0.29 O ATOM 1356 CB PRO B 21 -25.174 7.375 -2.629 1.00 0.39 C ATOM 1357 CG PRO B 21 -24.238 8.603 -2.447 1.00 0.42 C ATOM 1358 CD PRO B 21 -22.919 8.089 -1.832 1.00 0.35 C ATOM 0 HA PRO B 21 -25.122 5.887 -1.019 1.00 0.34 H new ATOM 0 HB2 PRO B 21 -25.298 7.139 -3.686 1.00 0.39 H new ATOM 0 HB3 PRO B 21 -26.167 7.585 -2.231 1.00 0.39 H new ATOM 0 HG2 PRO B 21 -24.051 9.089 -3.405 1.00 0.42 H new ATOM 0 HG3 PRO B 21 -24.701 9.346 -1.797 1.00 0.42 H new ATOM 0 HD2 PRO B 21 -22.091 8.187 -2.534 1.00 0.35 H new ATOM 0 HD3 PRO B 21 -22.651 8.657 -0.941 1.00 0.35 H new ATOM 1366 N ARG B 22 -25.318 4.055 -2.728 1.00 0.31 N ATOM 1367 CA ARG B 22 -25.236 2.866 -3.618 1.00 0.30 C ATOM 1368 C ARG B 22 -25.015 3.353 -5.057 1.00 0.31 C ATOM 1369 O ARG B 22 -24.346 2.720 -5.849 1.00 0.31 O ATOM 1370 CB ARG B 22 -26.549 2.063 -3.516 1.00 0.33 C ATOM 1371 CG ARG B 22 -26.285 0.568 -3.750 1.00 0.69 C ATOM 1372 CD ARG B 22 -25.631 0.356 -5.119 1.00 1.24 C ATOM 1373 NE ARG B 22 -25.867 -1.046 -5.566 1.00 1.34 N ATOM 1374 CZ ARG B 22 -25.673 -1.374 -6.815 1.00 2.07 C ATOM 1375 NH1 ARG B 22 -25.275 -0.474 -7.672 1.00 2.89 N ATOM 1376 NH2 ARG B 22 -25.876 -2.603 -7.205 1.00 2.44 N ATOM 0 H ARG B 22 -26.122 4.078 -2.101 1.00 0.31 H new ATOM 0 HA ARG B 22 -24.409 2.220 -3.322 1.00 0.30 H new ATOM 0 HB2 ARG B 22 -26.996 2.210 -2.533 1.00 0.33 H new ATOM 0 HB3 ARG B 22 -27.265 2.431 -4.250 1.00 0.33 H new ATOM 0 HG2 ARG B 22 -25.637 0.178 -2.965 1.00 0.69 H new ATOM 0 HG3 ARG B 22 -27.221 0.013 -3.696 1.00 0.69 H new ATOM 0 HD2 ARG B 22 -26.045 1.056 -5.845 1.00 1.24 H new ATOM 0 HD3 ARG B 22 -24.561 0.555 -5.058 1.00 1.24 H new ATOM 0 HE ARG B 22 -26.180 -1.749 -4.897 1.00 1.34 H new ATOM 0 HH11 ARG B 22 -25.115 0.486 -7.366 1.00 2.89 H new ATOM 0 HH12 ARG B 22 -25.124 -0.730 -8.648 1.00 2.89 H new ATOM 0 HH21 ARG B 22 -26.186 -3.306 -6.534 1.00 2.44 H new ATOM 0 HH22 ARG B 22 -25.725 -2.860 -8.180 1.00 2.44 H new ATOM 1390 N ASN B 23 -25.575 4.487 -5.388 1.00 0.34 N ATOM 1391 CA ASN B 23 -25.406 5.036 -6.765 1.00 0.37 C ATOM 1392 C ASN B 23 -23.982 5.571 -6.942 1.00 0.37 C ATOM 1393 O ASN B 23 -23.700 6.302 -7.872 1.00 0.40 O ATOM 1394 CB ASN B 23 -26.406 6.172 -6.985 1.00 0.42 C ATOM 1395 CG ASN B 23 -27.831 5.641 -6.816 1.00 1.47 C ATOM 1396 OD1 ASN B 23 -28.692 5.906 -7.632 1.00 2.16 O ATOM 1397 ND2 ASN B 23 -28.119 4.897 -5.784 1.00 2.38 N ATOM 0 H ASN B 23 -26.143 5.058 -4.762 1.00 0.34 H new ATOM 0 HA ASN B 23 -25.584 4.243 -7.491 1.00 0.37 H new ATOM 0 HB2 ASN B 23 -26.220 6.977 -6.274 1.00 0.42 H new ATOM 0 HB3 ASN B 23 -26.280 6.593 -7.982 1.00 0.42 H new ATOM 0 HD21 ASN B 23 -29.066 4.538 -5.662 1.00 2.38 H new ATOM 0 HD22 ASN B 23 -27.397 4.674 -5.099 1.00 2.38 H new ATOM 1404 N PHE B 24 -23.083 5.221 -6.057 1.00 0.33 N ATOM 1405 CA PHE B 24 -21.671 5.718 -6.170 1.00 0.33 C ATOM 1406 C PHE B 24 -20.713 4.574 -5.833 1.00 0.30 C ATOM 1407 O PHE B 24 -19.617 4.788 -5.355 1.00 0.28 O ATOM 1408 CB PHE B 24 -21.469 6.878 -5.177 1.00 0.33 C ATOM 1409 CG PHE B 24 -20.301 7.747 -5.599 1.00 0.35 C ATOM 1410 CD1 PHE B 24 -20.330 8.415 -6.842 1.00 0.39 C ATOM 1411 CD2 PHE B 24 -19.187 7.902 -4.747 1.00 0.35 C ATOM 1412 CE1 PHE B 24 -19.252 9.231 -7.229 1.00 0.41 C ATOM 1413 CE2 PHE B 24 -18.108 8.719 -5.138 1.00 0.37 C ATOM 1414 CZ PHE B 24 -18.141 9.382 -6.378 1.00 0.41 C ATOM 0 H PHE B 24 -23.263 4.612 -5.259 1.00 0.33 H new ATOM 0 HA PHE B 24 -21.474 6.069 -7.183 1.00 0.33 H new ATOM 0 HB2 PHE B 24 -22.376 7.480 -5.124 1.00 0.33 H new ATOM 0 HB3 PHE B 24 -21.291 6.481 -4.178 1.00 0.33 H new ATOM 0 HD1 PHE B 24 -21.181 8.299 -7.497 1.00 0.39 H new ATOM 0 HD2 PHE B 24 -19.162 7.394 -3.794 1.00 0.35 H new ATOM 0 HE1 PHE B 24 -19.277 9.742 -8.180 1.00 0.41 H new ATOM 0 HE2 PHE B 24 -17.255 8.836 -4.486 1.00 0.37 H new ATOM 0 HZ PHE B 24 -17.313 10.008 -6.677 1.00 0.41 H new ATOM 1424 N VAL B 25 -21.123 3.357 -6.082 1.00 0.30 N ATOM 1425 CA VAL B 25 -20.249 2.185 -5.781 1.00 0.28 C ATOM 1426 C VAL B 25 -20.559 1.068 -6.781 1.00 0.30 C ATOM 1427 O VAL B 25 -21.416 0.238 -6.553 1.00 0.31 O ATOM 1428 CB VAL B 25 -20.536 1.687 -4.360 1.00 0.24 C ATOM 1429 CG1 VAL B 25 -19.578 0.549 -4.006 1.00 0.22 C ATOM 1430 CG2 VAL B 25 -20.344 2.833 -3.364 1.00 0.23 C ATOM 0 H VAL B 25 -22.031 3.124 -6.483 1.00 0.30 H new ATOM 0 HA VAL B 25 -19.201 2.474 -5.859 1.00 0.28 H new ATOM 0 HB VAL B 25 -21.564 1.327 -4.311 1.00 0.24 H new ATOM 0 HG11 VAL B 25 -19.787 0.199 -2.995 1.00 0.22 H new ATOM 0 HG12 VAL B 25 -19.713 -0.273 -4.710 1.00 0.22 H new ATOM 0 HG13 VAL B 25 -18.550 0.908 -4.061 1.00 0.22 H new ATOM 0 HG21 VAL B 25 -20.549 2.476 -2.355 1.00 0.23 H new ATOM 0 HG22 VAL B 25 -19.317 3.195 -3.420 1.00 0.23 H new ATOM 0 HG23 VAL B 25 -21.029 3.645 -3.607 1.00 0.23 H new ATOM 1440 N VAL B 26 -19.871 1.043 -7.891 1.00 0.33 N ATOM 1441 CA VAL B 26 -20.130 -0.012 -8.908 1.00 0.36 C ATOM 1442 C VAL B 26 -19.353 -1.274 -8.546 1.00 0.35 C ATOM 1443 O VAL B 26 -19.568 -2.329 -9.112 1.00 0.37 O ATOM 1444 CB VAL B 26 -19.676 0.487 -10.278 1.00 0.41 C ATOM 1445 CG1 VAL B 26 -20.371 1.812 -10.589 1.00 0.78 C ATOM 1446 CG2 VAL B 26 -18.158 0.696 -10.269 1.00 0.61 C ATOM 0 H VAL B 26 -19.139 1.710 -8.136 1.00 0.33 H new ATOM 0 HA VAL B 26 -21.196 -0.239 -8.934 1.00 0.36 H new ATOM 0 HB VAL B 26 -19.935 -0.249 -11.039 1.00 0.41 H new ATOM 0 HG11 VAL B 26 -20.049 2.171 -11.566 1.00 0.78 H new ATOM 0 HG12 VAL B 26 -21.451 1.664 -10.594 1.00 0.78 H new ATOM 0 HG13 VAL B 26 -20.109 2.547 -9.828 1.00 0.78 H new ATOM 0 HG21 VAL B 26 -17.834 1.052 -11.247 1.00 0.61 H new ATOM 0 HG22 VAL B 26 -17.897 1.433 -9.510 1.00 0.61 H new ATOM 0 HG23 VAL B 26 -17.662 -0.248 -10.044 1.00 0.61 H new ATOM 1456 N ASP B 27 -18.448 -1.183 -7.614 1.00 0.32 N ATOM 1457 CA ASP B 27 -17.666 -2.388 -7.233 1.00 0.31 C ATOM 1458 C ASP B 27 -16.862 -2.092 -5.973 1.00 0.27 C ATOM 1459 O ASP B 27 -17.012 -1.055 -5.359 1.00 0.25 O ATOM 1460 CB ASP B 27 -16.710 -2.755 -8.370 1.00 0.34 C ATOM 1461 CG ASP B 27 -16.146 -4.157 -8.131 1.00 0.35 C ATOM 1462 OD1 ASP B 27 -16.878 -4.989 -7.621 1.00 1.13 O ATOM 1463 OD2 ASP B 27 -14.993 -4.374 -8.461 1.00 1.09 O ATOM 0 H ASP B 27 -18.217 -0.331 -7.102 1.00 0.32 H new ATOM 0 HA ASP B 27 -18.346 -3.219 -7.046 1.00 0.31 H new ATOM 0 HB2 ASP B 27 -17.234 -2.720 -9.325 1.00 0.34 H new ATOM 0 HB3 ASP B 27 -15.898 -2.030 -8.425 1.00 0.34 H new ATOM 1468 N TYR B 28 -16.006 -2.993 -5.581 1.00 0.26 N ATOM 1469 CA TYR B 28 -15.192 -2.753 -4.362 1.00 0.23 C ATOM 1470 C TYR B 28 -13.915 -3.584 -4.414 1.00 0.25 C ATOM 1471 O TYR B 28 -13.623 -4.250 -5.387 1.00 0.29 O ATOM 1472 CB TYR B 28 -16.001 -3.102 -3.106 1.00 0.19 C ATOM 1473 CG TYR B 28 -16.121 -4.604 -2.941 1.00 0.21 C ATOM 1474 CD1 TYR B 28 -16.794 -5.372 -3.912 1.00 0.25 C ATOM 1475 CD2 TYR B 28 -15.569 -5.233 -1.807 1.00 0.19 C ATOM 1476 CE1 TYR B 28 -16.913 -6.764 -3.750 1.00 0.27 C ATOM 1477 CE2 TYR B 28 -15.688 -6.624 -1.644 1.00 0.22 C ATOM 1478 CZ TYR B 28 -16.360 -7.392 -2.616 1.00 0.25 C ATOM 1479 OH TYR B 28 -16.477 -8.758 -2.456 1.00 0.28 O ATOM 0 H TYR B 28 -15.836 -3.882 -6.051 1.00 0.26 H new ATOM 0 HA TYR B 28 -14.923 -1.697 -4.321 1.00 0.23 H new ATOM 0 HB2 TYR B 28 -15.520 -2.673 -2.227 1.00 0.19 H new ATOM 0 HB3 TYR B 28 -16.995 -2.659 -3.174 1.00 0.19 H new ATOM 0 HD1 TYR B 28 -17.219 -4.891 -4.781 1.00 0.25 H new ATOM 0 HD2 TYR B 28 -15.054 -4.645 -1.062 1.00 0.19 H new ATOM 0 HE1 TYR B 28 -17.428 -7.352 -4.495 1.00 0.27 H new ATOM 0 HE2 TYR B 28 -15.265 -7.104 -0.774 1.00 0.22 H new ATOM 0 HH TYR B 28 -17.410 -9.025 -2.595 1.00 0.28 H new ATOM 1489 N TYR B 29 -13.150 -3.525 -3.370 1.00 0.23 N ATOM 1490 CA TYR B 29 -11.874 -4.278 -3.325 1.00 0.25 C ATOM 1491 C TYR B 29 -11.433 -4.385 -1.861 1.00 0.22 C ATOM 1492 O TYR B 29 -11.604 -3.465 -1.093 1.00 0.23 O ATOM 1493 CB TYR B 29 -10.839 -3.507 -4.161 1.00 0.29 C ATOM 1494 CG TYR B 29 -9.434 -3.921 -3.793 1.00 0.31 C ATOM 1495 CD1 TYR B 29 -8.987 -5.218 -4.095 1.00 0.36 C ATOM 1496 CD2 TYR B 29 -8.577 -3.010 -3.146 1.00 0.35 C ATOM 1497 CE1 TYR B 29 -7.678 -5.609 -3.751 1.00 0.39 C ATOM 1498 CE2 TYR B 29 -7.268 -3.398 -2.802 1.00 0.38 C ATOM 1499 CZ TYR B 29 -6.819 -4.698 -3.104 1.00 0.36 C ATOM 1500 OH TYR B 29 -5.536 -5.081 -2.767 1.00 0.39 O ATOM 0 H TYR B 29 -13.356 -2.980 -2.533 1.00 0.23 H new ATOM 0 HA TYR B 29 -11.981 -5.283 -3.733 1.00 0.25 H new ATOM 0 HB2 TYR B 29 -11.011 -3.692 -5.221 1.00 0.29 H new ATOM 0 HB3 TYR B 29 -10.961 -2.436 -4.000 1.00 0.29 H new ATOM 0 HD1 TYR B 29 -9.646 -5.915 -4.591 1.00 0.36 H new ATOM 0 HD2 TYR B 29 -8.924 -2.014 -2.914 1.00 0.35 H new ATOM 0 HE1 TYR B 29 -7.333 -6.606 -3.983 1.00 0.39 H new ATOM 0 HE2 TYR B 29 -6.609 -2.700 -2.307 1.00 0.38 H new ATOM 0 HH TYR B 29 -5.076 -4.335 -2.329 1.00 0.39 H new ATOM 1510 N GLU B 30 -10.874 -5.497 -1.459 1.00 0.22 N ATOM 1511 CA GLU B 30 -10.432 -5.641 -0.034 1.00 0.20 C ATOM 1512 C GLU B 30 -8.926 -5.366 0.057 1.00 0.21 C ATOM 1513 O GLU B 30 -8.199 -5.505 -0.906 1.00 0.24 O ATOM 1514 CB GLU B 30 -10.727 -7.065 0.447 1.00 0.22 C ATOM 1515 CG GLU B 30 -12.211 -7.194 0.805 1.00 0.25 C ATOM 1516 CD GLU B 30 -12.585 -8.673 0.920 1.00 0.69 C ATOM 1517 OE1 GLU B 30 -11.775 -9.431 1.428 1.00 1.43 O ATOM 1518 OE2 GLU B 30 -13.675 -9.022 0.497 1.00 1.35 O ATOM 0 H GLU B 30 -10.704 -6.310 -2.051 1.00 0.22 H new ATOM 0 HA GLU B 30 -10.969 -4.930 0.593 1.00 0.20 H new ATOM 0 HB2 GLU B 30 -10.467 -7.783 -0.331 1.00 0.22 H new ATOM 0 HB3 GLU B 30 -10.112 -7.300 1.316 1.00 0.22 H new ATOM 0 HG2 GLU B 30 -12.414 -6.683 1.746 1.00 0.25 H new ATOM 0 HG3 GLU B 30 -12.823 -6.712 0.042 1.00 0.25 H new ATOM 1525 N THR B 31 -8.461 -4.968 1.209 1.00 0.19 N ATOM 1526 CA THR B 31 -7.005 -4.670 1.371 1.00 0.21 C ATOM 1527 C THR B 31 -6.200 -5.969 1.384 1.00 0.25 C ATOM 1528 O THR B 31 -6.688 -7.023 1.030 1.00 0.27 O ATOM 1529 CB THR B 31 -6.792 -3.935 2.697 1.00 0.20 C ATOM 1530 OG1 THR B 31 -7.524 -4.596 3.710 1.00 0.21 O ATOM 1531 CG2 THR B 31 -7.274 -2.489 2.561 1.00 0.20 C ATOM 0 H THR B 31 -9.025 -4.835 2.048 1.00 0.19 H new ATOM 0 HA THR B 31 -6.670 -4.051 0.538 1.00 0.21 H new ATOM 0 HB THR B 31 -5.733 -3.932 2.957 1.00 0.20 H new ATOM 0 HG1 THR B 31 -7.616 -5.544 3.481 1.00 0.21 H new ATOM 0 HG21 THR B 31 -7.123 -1.965 3.505 1.00 0.20 H new ATOM 0 HG22 THR B 31 -6.709 -1.990 1.774 1.00 0.20 H new ATOM 0 HG23 THR B 31 -8.334 -2.481 2.307 1.00 0.20 H new ATOM 1539 N SER B 32 -4.964 -5.891 1.794 1.00 0.27 N ATOM 1540 CA SER B 32 -4.104 -7.103 1.842 1.00 0.31 C ATOM 1541 C SER B 32 -4.343 -7.849 3.155 1.00 0.33 C ATOM 1542 O SER B 32 -5.438 -7.875 3.681 1.00 0.33 O ATOM 1543 CB SER B 32 -2.639 -6.680 1.763 1.00 0.33 C ATOM 1544 OG SER B 32 -2.444 -5.877 0.607 1.00 1.27 O ATOM 0 H SER B 32 -4.511 -5.030 2.100 1.00 0.27 H new ATOM 0 HA SER B 32 -4.347 -7.756 1.004 1.00 0.31 H new ATOM 0 HB2 SER B 32 -2.360 -6.123 2.658 1.00 0.33 H new ATOM 0 HB3 SER B 32 -1.996 -7.559 1.722 1.00 0.33 H new ATOM 0 HG SER B 32 -1.784 -6.303 0.021 1.00 1.27 H new ATOM 1550 N SER B 33 -3.317 -8.454 3.684 1.00 0.36 N ATOM 1551 CA SER B 33 -3.452 -9.209 4.966 1.00 0.40 C ATOM 1552 C SER B 33 -2.190 -8.998 5.796 1.00 0.40 C ATOM 1553 O SER B 33 -2.233 -8.910 7.006 1.00 0.42 O ATOM 1554 CB SER B 33 -3.598 -10.694 4.657 1.00 0.46 C ATOM 1555 OG SER B 33 -2.313 -11.250 4.413 1.00 0.48 O ATOM 0 H SER B 33 -2.380 -8.459 3.281 1.00 0.36 H new ATOM 0 HA SER B 33 -4.326 -8.857 5.515 1.00 0.40 H new ATOM 0 HB2 SER B 33 -4.076 -11.206 5.492 1.00 0.46 H new ATOM 0 HB3 SER B 33 -4.239 -10.835 3.787 1.00 0.46 H new ATOM 0 HG SER B 33 -2.402 -12.206 4.215 1.00 0.48 H new ATOM 1561 N LEU B 34 -1.067 -8.924 5.135 1.00 0.39 N ATOM 1562 CA LEU B 34 0.234 -8.723 5.842 1.00 0.39 C ATOM 1563 C LEU B 34 0.067 -7.717 6.983 1.00 0.37 C ATOM 1564 O LEU B 34 0.362 -8.001 8.127 1.00 0.40 O ATOM 1565 CB LEU B 34 1.270 -8.182 4.855 1.00 0.36 C ATOM 1566 CG LEU B 34 1.179 -8.932 3.527 1.00 0.39 C ATOM 1567 CD1 LEU B 34 2.338 -8.503 2.625 1.00 0.40 C ATOM 1568 CD2 LEU B 34 1.257 -10.440 3.780 1.00 0.45 C ATOM 0 H LEU B 34 -0.993 -8.995 4.120 1.00 0.39 H new ATOM 0 HA LEU B 34 0.564 -9.679 6.249 1.00 0.39 H new ATOM 0 HB2 LEU B 34 1.105 -7.117 4.691 1.00 0.36 H new ATOM 0 HB3 LEU B 34 2.271 -8.289 5.273 1.00 0.36 H new ATOM 0 HG LEU B 34 0.231 -8.699 3.041 1.00 0.39 H new ATOM 0 HD11 LEU B 34 2.277 -9.036 1.676 1.00 0.40 H new ATOM 0 HD12 LEU B 34 2.279 -7.430 2.443 1.00 0.40 H new ATOM 0 HD13 LEU B 34 3.284 -8.737 3.112 1.00 0.40 H new ATOM 0 HD21 LEU B 34 1.192 -10.972 2.831 1.00 0.45 H new ATOM 0 HD22 LEU B 34 2.203 -10.679 4.266 1.00 0.45 H new ATOM 0 HD23 LEU B 34 0.432 -10.744 4.424 1.00 0.45 H new ATOM 1580 N CYS B 35 -0.400 -6.543 6.673 1.00 0.33 N ATOM 1581 CA CYS B 35 -0.582 -5.514 7.732 1.00 0.34 C ATOM 1582 C CYS B 35 -1.735 -5.933 8.650 1.00 0.39 C ATOM 1583 O CYS B 35 -2.802 -6.293 8.199 1.00 0.39 O ATOM 1584 CB CYS B 35 -0.884 -4.158 7.084 1.00 0.32 C ATOM 1585 SG CYS B 35 -1.991 -4.386 5.669 1.00 0.40 S ATOM 0 H CYS B 35 -0.664 -6.250 5.732 1.00 0.33 H new ATOM 0 HA CYS B 35 0.330 -5.425 8.322 1.00 0.34 H new ATOM 0 HB2 CYS B 35 -1.344 -3.491 7.813 1.00 0.32 H new ATOM 0 HB3 CYS B 35 0.043 -3.685 6.759 1.00 0.32 H new ATOM 1590 N SER B 36 -1.515 -5.913 9.933 1.00 0.44 N ATOM 1591 CA SER B 36 -2.581 -6.323 10.895 1.00 0.51 C ATOM 1592 C SER B 36 -3.763 -5.340 10.875 1.00 0.51 C ATOM 1593 O SER B 36 -4.400 -5.126 11.887 1.00 0.58 O ATOM 1594 CB SER B 36 -1.992 -6.369 12.305 1.00 0.59 C ATOM 1595 OG SER B 36 -1.370 -5.124 12.595 1.00 1.41 O ATOM 0 H SER B 36 -0.635 -5.628 10.363 1.00 0.44 H new ATOM 0 HA SER B 36 -2.948 -7.306 10.600 1.00 0.51 H new ATOM 0 HB2 SER B 36 -2.777 -6.575 13.033 1.00 0.59 H new ATOM 0 HB3 SER B 36 -1.266 -7.178 12.382 1.00 0.59 H new ATOM 0 HG SER B 36 -0.993 -5.150 13.499 1.00 1.41 H new ATOM 1601 N GLN B 37 -4.074 -4.730 9.757 1.00 0.45 N ATOM 1602 CA GLN B 37 -5.223 -3.770 9.746 1.00 0.47 C ATOM 1603 C GLN B 37 -5.837 -3.656 8.342 1.00 0.36 C ATOM 1604 O GLN B 37 -5.776 -2.604 7.740 1.00 0.35 O ATOM 1605 CB GLN B 37 -4.726 -2.391 10.191 1.00 0.55 C ATOM 1606 CG GLN B 37 -3.428 -2.052 9.455 1.00 0.78 C ATOM 1607 CD GLN B 37 -3.106 -0.569 9.644 1.00 0.79 C ATOM 1608 OE1 GLN B 37 -2.966 -0.103 10.757 1.00 1.24 O ATOM 1609 NE2 GLN B 37 -2.981 0.198 8.594 1.00 1.48 N ATOM 0 H GLN B 37 -3.592 -4.851 8.866 1.00 0.45 H new ATOM 0 HA GLN B 37 -5.989 -4.139 10.428 1.00 0.47 H new ATOM 0 HB2 GLN B 37 -5.483 -1.635 9.981 1.00 0.55 H new ATOM 0 HB3 GLN B 37 -4.558 -2.384 11.268 1.00 0.55 H new ATOM 0 HG2 GLN B 37 -2.611 -2.664 9.837 1.00 0.78 H new ATOM 0 HG3 GLN B 37 -3.529 -2.281 8.394 1.00 0.78 H new ATOM 0 HE21 GLN B 37 -3.099 -0.194 7.660 1.00 1.48 H new ATOM 0 HE22 GLN B 37 -2.766 1.188 8.709 1.00 1.48 H new ATOM 1618 N PRO B 38 -6.437 -4.726 7.866 1.00 0.34 N ATOM 1619 CA PRO B 38 -7.087 -4.717 6.540 1.00 0.26 C ATOM 1620 C PRO B 38 -8.326 -3.807 6.598 1.00 0.25 C ATOM 1621 O PRO B 38 -8.646 -3.235 7.622 1.00 0.27 O ATOM 1622 CB PRO B 38 -7.487 -6.190 6.287 1.00 0.33 C ATOM 1623 CG PRO B 38 -7.206 -6.981 7.600 1.00 0.43 C ATOM 1624 CD PRO B 38 -6.512 -6.014 8.587 1.00 0.43 C ATOM 0 HA PRO B 38 -6.444 -4.339 5.745 1.00 0.26 H new ATOM 0 HB2 PRO B 38 -8.540 -6.260 6.014 1.00 0.33 H new ATOM 0 HB3 PRO B 38 -6.915 -6.606 5.458 1.00 0.33 H new ATOM 0 HG2 PRO B 38 -8.135 -7.361 8.025 1.00 0.43 H new ATOM 0 HG3 PRO B 38 -6.571 -7.844 7.399 1.00 0.43 H new ATOM 0 HD2 PRO B 38 -7.081 -5.917 9.511 1.00 0.43 H new ATOM 0 HD3 PRO B 38 -5.520 -6.373 8.860 1.00 0.43 H new ATOM 1632 N ALA B 39 -9.019 -3.682 5.507 1.00 0.23 N ATOM 1633 CA ALA B 39 -10.235 -2.833 5.465 1.00 0.22 C ATOM 1634 C ALA B 39 -10.927 -3.075 4.128 1.00 0.19 C ATOM 1635 O ALA B 39 -10.373 -3.708 3.251 1.00 0.22 O ATOM 1636 CB ALA B 39 -9.841 -1.360 5.580 1.00 0.23 C ATOM 0 H ALA B 39 -8.790 -4.141 4.626 1.00 0.23 H new ATOM 0 HA ALA B 39 -10.901 -3.081 6.291 1.00 0.22 H new ATOM 0 HB1 ALA B 39 -10.737 -0.740 5.549 1.00 0.23 H new ATOM 0 HB2 ALA B 39 -9.319 -1.196 6.523 1.00 0.23 H new ATOM 0 HB3 ALA B 39 -9.186 -1.093 4.751 1.00 0.23 H new ATOM 1642 N VAL B 40 -12.113 -2.563 3.943 1.00 0.15 N ATOM 1643 CA VAL B 40 -12.809 -2.755 2.633 1.00 0.13 C ATOM 1644 C VAL B 40 -12.584 -1.496 1.801 1.00 0.13 C ATOM 1645 O VAL B 40 -12.523 -0.399 2.321 1.00 0.18 O ATOM 1646 CB VAL B 40 -14.310 -2.980 2.860 1.00 0.12 C ATOM 1647 CG1 VAL B 40 -15.069 -2.781 1.543 1.00 0.12 C ATOM 1648 CG2 VAL B 40 -14.533 -4.411 3.349 1.00 0.16 C ATOM 0 H VAL B 40 -12.630 -2.022 4.636 1.00 0.15 H new ATOM 0 HA VAL B 40 -12.413 -3.629 2.115 1.00 0.13 H new ATOM 0 HB VAL B 40 -14.674 -2.268 3.601 1.00 0.12 H new ATOM 0 HG11 VAL B 40 -16.134 -2.942 1.709 1.00 0.12 H new ATOM 0 HG12 VAL B 40 -14.908 -1.766 1.180 1.00 0.12 H new ATOM 0 HG13 VAL B 40 -14.706 -3.493 0.802 1.00 0.12 H new ATOM 0 HG21 VAL B 40 -15.598 -4.578 3.512 1.00 0.16 H new ATOM 0 HG22 VAL B 40 -14.166 -5.113 2.600 1.00 0.16 H new ATOM 0 HG23 VAL B 40 -13.994 -4.564 4.284 1.00 0.16 H new ATOM 1658 N VAL B 41 -12.440 -1.656 0.515 1.00 0.15 N ATOM 1659 CA VAL B 41 -12.194 -0.487 -0.386 1.00 0.16 C ATOM 1660 C VAL B 41 -13.311 -0.403 -1.429 1.00 0.16 C ATOM 1661 O VAL B 41 -13.493 -1.294 -2.226 1.00 0.18 O ATOM 1662 CB VAL B 41 -10.838 -0.686 -1.071 1.00 0.21 C ATOM 1663 CG1 VAL B 41 -10.323 0.640 -1.624 1.00 0.25 C ATOM 1664 CG2 VAL B 41 -9.840 -1.222 -0.043 1.00 0.23 C ATOM 0 H VAL B 41 -12.482 -2.558 0.041 1.00 0.15 H new ATOM 0 HA VAL B 41 -12.184 0.442 0.185 1.00 0.16 H new ATOM 0 HB VAL B 41 -10.952 -1.391 -1.894 1.00 0.21 H new ATOM 0 HG11 VAL B 41 -9.359 0.483 -2.108 1.00 0.25 H new ATOM 0 HG12 VAL B 41 -11.034 1.032 -2.351 1.00 0.25 H new ATOM 0 HG13 VAL B 41 -10.208 1.354 -0.809 1.00 0.25 H new ATOM 0 HG21 VAL B 41 -8.870 -1.368 -0.519 1.00 0.23 H new ATOM 0 HG22 VAL B 41 -9.740 -0.507 0.774 1.00 0.23 H new ATOM 0 HG23 VAL B 41 -10.198 -2.174 0.350 1.00 0.23 H new ATOM 1674 N PHE B 42 -14.075 0.658 -1.421 1.00 0.15 N ATOM 1675 CA PHE B 42 -15.194 0.779 -2.406 1.00 0.17 C ATOM 1676 C PHE B 42 -14.719 1.483 -3.681 1.00 0.21 C ATOM 1677 O PHE B 42 -14.015 2.471 -3.639 1.00 0.23 O ATOM 1678 CB PHE B 42 -16.338 1.593 -1.788 1.00 0.16 C ATOM 1679 CG PHE B 42 -17.100 0.745 -0.790 1.00 0.14 C ATOM 1680 CD1 PHE B 42 -17.798 -0.399 -1.226 1.00 0.14 C ATOM 1681 CD2 PHE B 42 -17.122 1.105 0.572 1.00 0.13 C ATOM 1682 CE1 PHE B 42 -18.514 -1.181 -0.301 1.00 0.14 C ATOM 1683 CE2 PHE B 42 -17.840 0.324 1.495 1.00 0.14 C ATOM 1684 CZ PHE B 42 -18.536 -0.820 1.060 1.00 0.14 C ATOM 0 H PHE B 42 -13.974 1.444 -0.778 1.00 0.15 H new ATOM 0 HA PHE B 42 -15.539 -0.224 -2.659 1.00 0.17 H new ATOM 0 HB2 PHE B 42 -15.939 2.479 -1.294 1.00 0.16 H new ATOM 0 HB3 PHE B 42 -17.012 1.941 -2.571 1.00 0.16 H new ATOM 0 HD1 PHE B 42 -17.783 -0.675 -2.270 1.00 0.14 H new ATOM 0 HD2 PHE B 42 -16.587 1.981 0.907 1.00 0.13 H new ATOM 0 HE1 PHE B 42 -19.047 -2.059 -0.635 1.00 0.14 H new ATOM 0 HE2 PHE B 42 -17.858 0.602 2.538 1.00 0.14 H new ATOM 0 HZ PHE B 42 -19.086 -1.420 1.770 1.00 0.14 H new ATOM 1694 N GLN B 43 -15.140 0.986 -4.815 1.00 0.24 N ATOM 1695 CA GLN B 43 -14.768 1.614 -6.118 1.00 0.28 C ATOM 1696 C GLN B 43 -15.964 2.461 -6.571 1.00 0.30 C ATOM 1697 O GLN B 43 -17.066 1.952 -6.695 1.00 0.30 O ATOM 1698 CB GLN B 43 -14.481 0.505 -7.133 1.00 0.32 C ATOM 1699 CG GLN B 43 -13.298 -0.347 -6.647 1.00 0.32 C ATOM 1700 CD GLN B 43 -13.307 -1.700 -7.364 1.00 0.58 C ATOM 1701 OE1 GLN B 43 -14.068 -2.580 -7.016 1.00 1.29 O ATOM 1702 NE2 GLN B 43 -12.486 -1.902 -8.357 1.00 1.31 N ATOM 0 H GLN B 43 -15.734 0.160 -4.894 1.00 0.24 H new ATOM 0 HA GLN B 43 -13.880 2.240 -6.027 1.00 0.28 H new ATOM 0 HB2 GLN B 43 -15.364 -0.121 -7.262 1.00 0.32 H new ATOM 0 HB3 GLN B 43 -14.253 0.939 -8.106 1.00 0.32 H new ATOM 0 HG2 GLN B 43 -12.359 0.172 -6.841 1.00 0.32 H new ATOM 0 HG3 GLN B 43 -13.363 -0.495 -5.569 1.00 0.32 H new ATOM 0 HE21 GLN B 43 -11.847 -1.162 -8.649 1.00 1.31 H new ATOM 0 HE22 GLN B 43 -12.483 -2.799 -8.842 1.00 1.31 H new ATOM 1711 N THR B 44 -15.786 3.755 -6.772 1.00 0.32 N ATOM 1712 CA THR B 44 -16.964 4.616 -7.152 1.00 0.34 C ATOM 1713 C THR B 44 -17.040 4.875 -8.658 1.00 0.39 C ATOM 1714 O THR B 44 -16.513 4.136 -9.466 1.00 0.41 O ATOM 1715 CB THR B 44 -16.859 5.962 -6.438 1.00 0.34 C ATOM 1716 OG1 THR B 44 -15.980 6.806 -7.164 1.00 0.38 O ATOM 1717 CG2 THR B 44 -16.313 5.751 -5.023 1.00 0.29 C ATOM 0 H THR B 44 -14.894 4.243 -6.691 1.00 0.32 H new ATOM 0 HA THR B 44 -17.863 4.077 -6.854 1.00 0.34 H new ATOM 0 HB THR B 44 -17.845 6.423 -6.378 1.00 0.34 H new ATOM 0 HG1 THR B 44 -16.279 7.736 -7.084 1.00 0.38 H new ATOM 0 HG21 THR B 44 -16.239 6.712 -4.515 1.00 0.29 H new ATOM 0 HG22 THR B 44 -16.986 5.098 -4.467 1.00 0.29 H new ATOM 0 HG23 THR B 44 -15.326 5.293 -5.079 1.00 0.29 H new ATOM 1725 N LYS B 45 -17.727 5.936 -9.023 1.00 0.43 N ATOM 1726 CA LYS B 45 -17.902 6.298 -10.464 1.00 0.48 C ATOM 1727 C LYS B 45 -17.072 7.538 -10.809 1.00 0.51 C ATOM 1728 O LYS B 45 -16.724 7.755 -11.952 1.00 0.56 O ATOM 1729 CB LYS B 45 -19.374 6.624 -10.713 1.00 0.50 C ATOM 1730 CG LYS B 45 -20.237 5.455 -10.263 1.00 0.46 C ATOM 1731 CD LYS B 45 -21.707 5.749 -10.587 1.00 0.49 C ATOM 1732 CE LYS B 45 -22.498 4.443 -10.608 1.00 0.54 C ATOM 1733 NZ LYS B 45 -22.302 3.762 -11.919 1.00 1.55 N ATOM 0 H LYS B 45 -18.180 6.575 -8.369 1.00 0.43 H new ATOM 0 HA LYS B 45 -17.576 5.460 -11.081 1.00 0.48 H new ATOM 0 HB2 LYS B 45 -19.654 7.527 -10.170 1.00 0.50 H new ATOM 0 HB3 LYS B 45 -19.539 6.825 -11.772 1.00 0.50 H new ATOM 0 HG2 LYS B 45 -19.919 4.541 -10.764 1.00 0.46 H new ATOM 0 HG3 LYS B 45 -20.115 5.291 -9.192 1.00 0.46 H new ATOM 0 HD2 LYS B 45 -22.125 6.427 -9.843 1.00 0.49 H new ATOM 0 HD3 LYS B 45 -21.784 6.248 -11.553 1.00 0.49 H new ATOM 0 HE2 LYS B 45 -22.169 3.794 -9.797 1.00 0.54 H new ATOM 0 HE3 LYS B 45 -23.557 4.645 -10.446 1.00 0.54 H new ATOM 0 HZ1 LYS B 45 -22.651 2.784 -11.858 1.00 1.55 H new ATOM 0 HZ2 LYS B 45 -22.828 4.272 -12.657 1.00 1.55 H new ATOM 0 HZ3 LYS B 45 -21.290 3.754 -12.158 1.00 1.55 H new ATOM 1747 N ARG B 46 -16.770 8.365 -9.834 1.00 0.50 N ATOM 1748 CA ARG B 46 -15.978 9.612 -10.103 1.00 0.54 C ATOM 1749 C ARG B 46 -14.855 9.716 -9.074 1.00 0.49 C ATOM 1750 O ARG B 46 -14.681 10.711 -8.404 1.00 0.48 O ATOM 1751 CB ARG B 46 -16.922 10.833 -10.020 1.00 0.59 C ATOM 1752 CG ARG B 46 -16.181 12.184 -10.199 1.00 0.72 C ATOM 1753 CD ARG B 46 -15.047 12.081 -11.228 1.00 0.92 C ATOM 1754 NE ARG B 46 -14.546 13.459 -11.562 1.00 1.48 N ATOM 1755 CZ ARG B 46 -15.325 14.366 -12.093 1.00 2.13 C ATOM 1756 NH1 ARG B 46 -16.524 14.054 -12.504 1.00 2.62 N ATOM 1757 NH2 ARG B 46 -14.884 15.583 -12.258 1.00 2.82 N ATOM 0 H ARG B 46 -17.039 8.230 -8.859 1.00 0.50 H new ATOM 0 HA ARG B 46 -15.536 9.582 -11.099 1.00 0.54 H new ATOM 0 HB2 ARG B 46 -17.692 10.743 -10.786 1.00 0.59 H new ATOM 0 HB3 ARG B 46 -17.430 10.828 -9.055 1.00 0.59 H new ATOM 0 HG2 ARG B 46 -16.891 12.948 -10.516 1.00 0.72 H new ATOM 0 HG3 ARG B 46 -15.774 12.505 -9.240 1.00 0.72 H new ATOM 0 HD2 ARG B 46 -14.234 11.474 -10.830 1.00 0.92 H new ATOM 0 HD3 ARG B 46 -15.404 11.584 -12.130 1.00 0.92 H new ATOM 0 HE ARG B 46 -13.572 13.693 -11.369 1.00 1.48 H new ATOM 0 HH11 ARG B 46 -16.861 13.096 -12.412 1.00 2.62 H new ATOM 0 HH12 ARG B 46 -17.124 14.768 -12.917 1.00 2.62 H new ATOM 0 HH21 ARG B 46 -13.935 15.824 -11.973 1.00 2.82 H new ATOM 0 HH22 ARG B 46 -15.489 16.293 -12.672 1.00 2.82 H new ATOM 1771 N SER B 47 -14.077 8.685 -8.964 1.00 0.46 N ATOM 1772 CA SER B 47 -12.949 8.700 -8.016 1.00 0.42 C ATOM 1773 C SER B 47 -12.052 7.519 -8.349 1.00 0.42 C ATOM 1774 O SER B 47 -11.583 7.376 -9.460 1.00 0.46 O ATOM 1775 CB SER B 47 -13.462 8.603 -6.573 1.00 0.38 C ATOM 1776 OG SER B 47 -13.892 7.277 -6.304 1.00 1.07 O ATOM 0 H SER B 47 -14.179 7.823 -9.499 1.00 0.46 H new ATOM 0 HA SER B 47 -12.390 9.632 -8.101 1.00 0.42 H new ATOM 0 HB2 SER B 47 -12.673 8.888 -5.877 1.00 0.38 H new ATOM 0 HB3 SER B 47 -14.286 9.300 -6.423 1.00 0.38 H new ATOM 0 HG SER B 47 -14.801 7.151 -6.649 1.00 1.07 H new ATOM 1782 N LYS B 48 -11.833 6.663 -7.412 1.00 0.38 N ATOM 1783 CA LYS B 48 -10.987 5.475 -7.663 1.00 0.40 C ATOM 1784 C LYS B 48 -11.316 4.448 -6.595 1.00 0.35 C ATOM 1785 O LYS B 48 -12.267 3.699 -6.705 1.00 0.34 O ATOM 1786 CB LYS B 48 -9.502 5.853 -7.567 1.00 0.44 C ATOM 1787 CG LYS B 48 -9.085 6.693 -8.781 1.00 1.11 C ATOM 1788 CD LYS B 48 -7.557 6.688 -8.911 1.00 1.38 C ATOM 1789 CE LYS B 48 -7.139 7.498 -10.142 1.00 2.13 C ATOM 1790 NZ LYS B 48 -5.755 7.114 -10.540 1.00 2.73 N ATOM 0 H LYS B 48 -12.208 6.732 -6.466 1.00 0.38 H new ATOM 0 HA LYS B 48 -11.177 5.078 -8.660 1.00 0.40 H new ATOM 0 HB2 LYS B 48 -9.321 6.413 -6.650 1.00 0.44 H new ATOM 0 HB3 LYS B 48 -8.893 4.951 -7.515 1.00 0.44 H new ATOM 0 HG2 LYS B 48 -9.538 6.291 -9.687 1.00 1.11 H new ATOM 0 HG3 LYS B 48 -9.447 7.715 -8.670 1.00 1.11 H new ATOM 0 HD2 LYS B 48 -7.105 7.112 -8.014 1.00 1.38 H new ATOM 0 HD3 LYS B 48 -7.193 5.664 -8.997 1.00 1.38 H new ATOM 0 HE2 LYS B 48 -7.830 7.314 -10.964 1.00 2.13 H new ATOM 0 HE3 LYS B 48 -7.183 8.565 -9.922 1.00 2.13 H new ATOM 0 HZ1 LYS B 48 -5.469 7.663 -11.376 1.00 2.73 H new ATOM 0 HZ2 LYS B 48 -5.101 7.311 -9.756 1.00 2.73 H new ATOM 0 HZ3 LYS B 48 -5.728 6.099 -10.766 1.00 2.73 H new ATOM 1804 N GLN B 49 -10.534 4.434 -5.551 1.00 0.33 N ATOM 1805 CA GLN B 49 -10.755 3.484 -4.425 1.00 0.30 C ATOM 1806 C GLN B 49 -10.995 4.294 -3.141 1.00 0.25 C ATOM 1807 O GLN B 49 -10.449 5.367 -2.956 1.00 0.26 O ATOM 1808 CB GLN B 49 -9.489 2.615 -4.276 1.00 0.35 C ATOM 1809 CG GLN B 49 -9.642 1.285 -5.032 1.00 0.82 C ATOM 1810 CD GLN B 49 -9.622 1.548 -6.540 1.00 0.89 C ATOM 1811 OE1 GLN B 49 -8.592 1.437 -7.173 1.00 1.53 O ATOM 1812 NE2 GLN B 49 -10.724 1.894 -7.145 1.00 1.52 N ATOM 0 H GLN B 49 -9.734 5.055 -5.429 1.00 0.33 H new ATOM 0 HA GLN B 49 -11.618 2.845 -4.612 1.00 0.30 H new ATOM 0 HB2 GLN B 49 -8.624 3.157 -4.658 1.00 0.35 H new ATOM 0 HB3 GLN B 49 -9.301 2.418 -3.221 1.00 0.35 H new ATOM 0 HG2 GLN B 49 -8.834 0.605 -4.760 1.00 0.82 H new ATOM 0 HG3 GLN B 49 -10.576 0.799 -4.749 1.00 0.82 H new ATOM 0 HE21 GLN B 49 -11.590 1.987 -6.614 1.00 1.52 H new ATOM 0 HE22 GLN B 49 -10.720 2.071 -8.149 1.00 1.52 H new ATOM 1821 N VAL B 50 -11.806 3.782 -2.250 1.00 0.23 N ATOM 1822 CA VAL B 50 -12.084 4.504 -0.969 1.00 0.19 C ATOM 1823 C VAL B 50 -12.106 3.498 0.173 1.00 0.16 C ATOM 1824 O VAL B 50 -12.901 2.583 0.185 1.00 0.15 O ATOM 1825 CB VAL B 50 -13.439 5.210 -1.057 1.00 0.22 C ATOM 1826 CG1 VAL B 50 -13.566 6.207 0.099 1.00 0.24 C ATOM 1827 CG2 VAL B 50 -13.542 5.945 -2.400 1.00 0.31 C ATOM 0 H VAL B 50 -12.290 2.890 -2.355 1.00 0.23 H new ATOM 0 HA VAL B 50 -11.306 5.247 -0.791 1.00 0.19 H new ATOM 0 HB VAL B 50 -14.244 4.478 -0.988 1.00 0.22 H new ATOM 0 HG11 VAL B 50 -14.530 6.712 0.040 1.00 0.24 H new ATOM 0 HG12 VAL B 50 -13.493 5.675 1.048 1.00 0.24 H new ATOM 0 HG13 VAL B 50 -12.766 6.944 0.033 1.00 0.24 H new ATOM 0 HG21 VAL B 50 -14.506 6.449 -2.466 1.00 0.31 H new ATOM 0 HG22 VAL B 50 -12.742 6.681 -2.474 1.00 0.31 H new ATOM 0 HG23 VAL B 50 -13.451 5.227 -3.215 1.00 0.31 H new ATOM 1837 N CYS B 51 -11.240 3.659 1.131 1.00 0.16 N ATOM 1838 CA CYS B 51 -11.203 2.704 2.269 1.00 0.15 C ATOM 1839 C CYS B 51 -12.423 2.930 3.159 1.00 0.14 C ATOM 1840 O CYS B 51 -12.944 4.025 3.249 1.00 0.16 O ATOM 1841 CB CYS B 51 -9.929 2.939 3.081 1.00 0.17 C ATOM 1842 SG CYS B 51 -8.484 2.549 2.061 1.00 0.21 S ATOM 0 H CYS B 51 -10.554 4.413 1.175 1.00 0.16 H new ATOM 0 HA CYS B 51 -11.213 1.681 1.892 1.00 0.15 H new ATOM 0 HB2 CYS B 51 -9.883 3.976 3.414 1.00 0.17 H new ATOM 0 HB3 CYS B 51 -9.935 2.316 3.976 1.00 0.17 H new ATOM 1847 N ALA B 52 -12.891 1.898 3.809 1.00 0.12 N ATOM 1848 CA ALA B 52 -14.092 2.042 4.688 1.00 0.13 C ATOM 1849 C ALA B 52 -13.935 1.159 5.928 1.00 0.15 C ATOM 1850 O ALA B 52 -13.484 0.031 5.852 1.00 0.15 O ATOM 1851 CB ALA B 52 -15.336 1.604 3.914 1.00 0.11 C ATOM 0 H ALA B 52 -12.494 0.959 3.770 1.00 0.12 H new ATOM 0 HA ALA B 52 -14.192 3.083 4.996 1.00 0.13 H new ATOM 0 HB1 ALA B 52 -16.215 1.707 4.550 1.00 0.11 H new ATOM 0 HB2 ALA B 52 -15.453 2.230 3.029 1.00 0.11 H new ATOM 0 HB3 ALA B 52 -15.228 0.563 3.610 1.00 0.11 H new ATOM 1857 N ASP B 53 -14.309 1.670 7.071 1.00 0.18 N ATOM 1858 CA ASP B 53 -14.189 0.873 8.327 1.00 0.22 C ATOM 1859 C ASP B 53 -15.193 -0.305 8.289 1.00 0.21 C ATOM 1860 O ASP B 53 -16.383 -0.060 8.250 1.00 0.22 O ATOM 1861 CB ASP B 53 -14.542 1.768 9.518 1.00 0.27 C ATOM 1862 CG ASP B 53 -13.557 2.935 9.595 1.00 1.35 C ATOM 1863 OD1 ASP B 53 -13.690 3.849 8.798 1.00 2.17 O ATOM 1864 OD2 ASP B 53 -12.691 2.897 10.453 1.00 2.10 O ATOM 0 H ASP B 53 -14.693 2.607 7.189 1.00 0.18 H new ATOM 0 HA ASP B 53 -13.171 0.494 8.421 1.00 0.22 H new ATOM 0 HB2 ASP B 53 -15.560 2.145 9.413 1.00 0.27 H new ATOM 0 HB3 ASP B 53 -14.509 1.190 10.442 1.00 0.27 H new ATOM 1869 N PRO B 54 -14.729 -1.550 8.309 1.00 0.22 N ATOM 1870 CA PRO B 54 -15.662 -2.697 8.283 1.00 0.24 C ATOM 1871 C PRO B 54 -16.573 -2.668 9.521 1.00 0.28 C ATOM 1872 O PRO B 54 -17.487 -3.457 9.649 1.00 0.30 O ATOM 1873 CB PRO B 54 -14.758 -3.952 8.291 1.00 0.27 C ATOM 1874 CG PRO B 54 -13.280 -3.468 8.338 1.00 0.27 C ATOM 1875 CD PRO B 54 -13.294 -1.924 8.353 1.00 0.24 C ATOM 0 HA PRO B 54 -16.317 -2.679 7.412 1.00 0.24 H new ATOM 0 HB2 PRO B 54 -14.983 -4.580 9.153 1.00 0.27 H new ATOM 0 HB3 PRO B 54 -14.935 -4.557 7.401 1.00 0.27 H new ATOM 0 HG2 PRO B 54 -12.779 -3.855 9.225 1.00 0.27 H new ATOM 0 HG3 PRO B 54 -12.729 -3.837 7.473 1.00 0.27 H new ATOM 0 HD2 PRO B 54 -12.812 -1.534 9.250 1.00 0.24 H new ATOM 0 HD3 PRO B 54 -12.754 -1.517 7.498 1.00 0.24 H new ATOM 1883 N SER B 55 -16.315 -1.778 10.435 1.00 0.31 N ATOM 1884 CA SER B 55 -17.149 -1.712 11.670 1.00 0.36 C ATOM 1885 C SER B 55 -18.486 -1.030 11.370 1.00 0.36 C ATOM 1886 O SER B 55 -19.442 -1.176 12.107 1.00 0.40 O ATOM 1887 CB SER B 55 -16.404 -0.916 12.743 1.00 0.40 C ATOM 1888 OG SER B 55 -15.171 -1.562 13.035 1.00 1.42 O ATOM 0 H SER B 55 -15.562 -1.092 10.383 1.00 0.31 H new ATOM 0 HA SER B 55 -17.339 -2.725 12.024 1.00 0.36 H new ATOM 0 HB2 SER B 55 -16.222 0.101 12.397 1.00 0.40 H new ATOM 0 HB3 SER B 55 -17.012 -0.842 13.645 1.00 0.40 H new ATOM 0 HG SER B 55 -14.690 -1.054 13.721 1.00 1.42 H new ATOM 1894 N GLU B 56 -18.571 -0.289 10.299 1.00 0.33 N ATOM 1895 CA GLU B 56 -19.857 0.393 9.968 1.00 0.33 C ATOM 1896 C GLU B 56 -20.795 -0.605 9.279 1.00 0.33 C ATOM 1897 O GLU B 56 -20.488 -1.160 8.242 1.00 0.29 O ATOM 1898 CB GLU B 56 -19.582 1.582 9.045 1.00 0.31 C ATOM 1899 CG GLU B 56 -19.091 2.777 9.869 1.00 0.35 C ATOM 1900 CD GLU B 56 -20.262 3.372 10.654 1.00 1.30 C ATOM 1901 OE1 GLU B 56 -21.304 3.583 10.056 1.00 2.01 O ATOM 1902 OE2 GLU B 56 -20.096 3.605 11.840 1.00 2.08 O ATOM 0 H GLU B 56 -17.809 -0.126 9.640 1.00 0.33 H new ATOM 0 HA GLU B 56 -20.329 0.756 10.881 1.00 0.33 H new ATOM 0 HB2 GLU B 56 -18.834 1.310 8.300 1.00 0.31 H new ATOM 0 HB3 GLU B 56 -20.489 1.850 8.503 1.00 0.31 H new ATOM 0 HG2 GLU B 56 -18.304 2.461 10.553 1.00 0.35 H new ATOM 0 HG3 GLU B 56 -18.659 3.532 9.212 1.00 0.35 H new ATOM 1909 N SER B 57 -21.928 -0.844 9.872 1.00 0.37 N ATOM 1910 CA SER B 57 -22.907 -1.813 9.301 1.00 0.38 C ATOM 1911 C SER B 57 -23.174 -1.544 7.817 1.00 0.35 C ATOM 1912 O SER B 57 -23.291 -2.463 7.032 1.00 0.34 O ATOM 1913 CB SER B 57 -24.223 -1.709 10.073 1.00 0.44 C ATOM 1914 OG SER B 57 -24.606 -0.343 10.165 1.00 1.37 O ATOM 0 H SER B 57 -22.224 -0.403 10.743 1.00 0.37 H new ATOM 0 HA SER B 57 -22.483 -2.813 9.392 1.00 0.38 H new ATOM 0 HB2 SER B 57 -25.000 -2.284 9.569 1.00 0.44 H new ATOM 0 HB3 SER B 57 -24.108 -2.134 11.070 1.00 0.44 H new ATOM 0 HG SER B 57 -25.450 -0.272 10.658 1.00 1.37 H new ATOM 1920 N TRP B 58 -23.300 -0.307 7.419 1.00 0.34 N ATOM 1921 CA TRP B 58 -23.591 -0.036 5.982 1.00 0.32 C ATOM 1922 C TRP B 58 -22.472 -0.601 5.114 1.00 0.27 C ATOM 1923 O TRP B 58 -22.689 -0.995 3.987 1.00 0.27 O ATOM 1924 CB TRP B 58 -23.779 1.468 5.742 1.00 0.34 C ATOM 1925 CG TRP B 58 -22.476 2.198 5.729 1.00 0.31 C ATOM 1926 CD1 TRP B 58 -22.027 2.981 6.735 1.00 0.32 C ATOM 1927 CD2 TRP B 58 -21.474 2.276 4.670 1.00 0.27 C ATOM 1928 NE1 TRP B 58 -20.817 3.535 6.367 1.00 0.29 N ATOM 1929 CE2 TRP B 58 -20.425 3.125 5.111 1.00 0.26 C ATOM 1930 CE3 TRP B 58 -21.366 1.694 3.384 1.00 0.27 C ATOM 1931 CZ2 TRP B 58 -19.308 3.393 4.308 1.00 0.25 C ATOM 1932 CZ3 TRP B 58 -20.242 1.961 2.572 1.00 0.27 C ATOM 1933 CH2 TRP B 58 -19.215 2.808 3.035 1.00 0.26 C ATOM 0 H TRP B 58 -23.216 0.516 8.016 1.00 0.34 H new ATOM 0 HA TRP B 58 -24.523 -0.530 5.707 1.00 0.32 H new ATOM 0 HB2 TRP B 58 -24.291 1.623 4.792 1.00 0.34 H new ATOM 0 HB3 TRP B 58 -24.419 1.882 6.521 1.00 0.34 H new ATOM 0 HD1 TRP B 58 -22.533 3.147 7.675 1.00 0.32 H new ATOM 0 HE1 TRP B 58 -20.278 4.171 6.954 1.00 0.29 H new ATOM 0 HE3 TRP B 58 -22.147 1.042 3.022 1.00 0.27 H new ATOM 0 HZ2 TRP B 58 -18.525 4.045 4.666 1.00 0.25 H new ATOM 0 HZ3 TRP B 58 -20.169 1.514 1.592 1.00 0.27 H new ATOM 0 HH2 TRP B 58 -18.357 3.007 2.411 1.00 0.26 H new ATOM 1944 N VAL B 59 -21.282 -0.679 5.631 1.00 0.24 N ATOM 1945 CA VAL B 59 -20.173 -1.249 4.824 1.00 0.20 C ATOM 1946 C VAL B 59 -20.442 -2.734 4.619 1.00 0.22 C ATOM 1947 O VAL B 59 -20.364 -3.246 3.521 1.00 0.21 O ATOM 1948 CB VAL B 59 -18.853 -1.053 5.567 1.00 0.19 C ATOM 1949 CG1 VAL B 59 -17.703 -1.665 4.763 1.00 0.18 C ATOM 1950 CG2 VAL B 59 -18.620 0.445 5.748 1.00 0.19 C ATOM 0 H VAL B 59 -21.030 -0.375 6.571 1.00 0.24 H new ATOM 0 HA VAL B 59 -20.109 -0.749 3.857 1.00 0.20 H new ATOM 0 HB VAL B 59 -18.896 -1.546 6.538 1.00 0.19 H new ATOM 0 HG11 VAL B 59 -16.766 -1.520 5.301 1.00 0.18 H new ATOM 0 HG12 VAL B 59 -17.882 -2.731 4.626 1.00 0.18 H new ATOM 0 HG13 VAL B 59 -17.641 -1.179 3.789 1.00 0.18 H new ATOM 0 HG21 VAL B 59 -17.681 0.606 6.277 1.00 0.19 H new ATOM 0 HG22 VAL B 59 -18.573 0.927 4.771 1.00 0.19 H new ATOM 0 HG23 VAL B 59 -19.440 0.874 6.325 1.00 0.19 H new ATOM 1960 N GLN B 60 -20.782 -3.426 5.666 1.00 0.25 N ATOM 1961 CA GLN B 60 -21.081 -4.878 5.525 1.00 0.28 C ATOM 1962 C GLN B 60 -22.327 -5.050 4.652 1.00 0.30 C ATOM 1963 O GLN B 60 -22.413 -5.949 3.839 1.00 0.31 O ATOM 1964 CB GLN B 60 -21.335 -5.487 6.905 1.00 0.33 C ATOM 1965 CG GLN B 60 -20.047 -5.435 7.729 1.00 1.25 C ATOM 1966 CD GLN B 60 -19.071 -6.499 7.222 1.00 1.65 C ATOM 1967 OE1 GLN B 60 -19.465 -7.606 6.916 1.00 2.33 O ATOM 1968 NE2 GLN B 60 -17.803 -6.207 7.119 1.00 2.14 N ATOM 0 H GLN B 60 -20.866 -3.053 6.611 1.00 0.25 H new ATOM 0 HA GLN B 60 -20.234 -5.383 5.061 1.00 0.28 H new ATOM 0 HB2 GLN B 60 -22.128 -4.941 7.415 1.00 0.33 H new ATOM 0 HB3 GLN B 60 -21.673 -6.518 6.803 1.00 0.33 H new ATOM 0 HG2 GLN B 60 -19.595 -4.446 7.653 1.00 1.25 H new ATOM 0 HG3 GLN B 60 -20.270 -5.604 8.782 1.00 1.25 H new ATOM 0 HE21 GLN B 60 -17.471 -5.277 7.376 1.00 2.14 H new ATOM 0 HE22 GLN B 60 -17.144 -6.909 6.782 1.00 2.14 H new ATOM 1977 N GLU B 61 -23.294 -4.190 4.820 1.00 0.31 N ATOM 1978 CA GLU B 61 -24.543 -4.292 4.009 1.00 0.33 C ATOM 1979 C GLU B 61 -24.227 -4.046 2.532 1.00 0.31 C ATOM 1980 O GLU B 61 -24.619 -4.806 1.668 1.00 0.32 O ATOM 1981 CB GLU B 61 -25.551 -3.247 4.495 1.00 0.35 C ATOM 1982 CG GLU B 61 -26.936 -3.572 3.931 1.00 0.40 C ATOM 1983 CD GLU B 61 -27.490 -4.818 4.623 1.00 1.29 C ATOM 1984 OE1 GLU B 61 -27.450 -4.862 5.842 1.00 1.99 O ATOM 1985 OE2 GLU B 61 -27.947 -5.707 3.924 1.00 2.03 O ATOM 0 H GLU B 61 -23.274 -3.418 5.486 1.00 0.31 H new ATOM 0 HA GLU B 61 -24.965 -5.291 4.123 1.00 0.33 H new ATOM 0 HB2 GLU B 61 -25.584 -3.237 5.584 1.00 0.35 H new ATOM 0 HB3 GLU B 61 -25.241 -2.252 4.176 1.00 0.35 H new ATOM 0 HG2 GLU B 61 -27.609 -2.729 4.084 1.00 0.40 H new ATOM 0 HG3 GLU B 61 -26.872 -3.738 2.856 1.00 0.40 H new ATOM 1992 N TYR B 62 -23.519 -2.992 2.235 1.00 0.28 N ATOM 1993 CA TYR B 62 -23.177 -2.697 0.814 1.00 0.28 C ATOM 1994 C TYR B 62 -22.338 -3.846 0.247 1.00 0.28 C ATOM 1995 O TYR B 62 -22.465 -4.211 -0.905 1.00 0.30 O ATOM 1996 CB TYR B 62 -22.378 -1.384 0.734 1.00 0.25 C ATOM 1997 CG TYR B 62 -23.309 -0.182 0.747 1.00 0.27 C ATOM 1998 CD1 TYR B 62 -24.324 -0.065 1.722 1.00 0.29 C ATOM 1999 CD2 TYR B 62 -23.153 0.832 -0.222 1.00 0.27 C ATOM 2000 CE1 TYR B 62 -25.173 1.059 1.724 1.00 0.32 C ATOM 2001 CE2 TYR B 62 -24.003 1.952 -0.218 1.00 0.29 C ATOM 2002 CZ TYR B 62 -25.012 2.067 0.754 1.00 0.31 C ATOM 2003 OH TYR B 62 -25.845 3.167 0.758 1.00 0.34 O ATOM 0 H TYR B 62 -23.162 -2.321 2.915 1.00 0.28 H new ATOM 0 HA TYR B 62 -24.093 -2.593 0.233 1.00 0.28 H new ATOM 0 HB2 TYR B 62 -21.686 -1.323 1.574 1.00 0.25 H new ATOM 0 HB3 TYR B 62 -21.777 -1.374 -0.175 1.00 0.25 H new ATOM 0 HD1 TYR B 62 -24.449 -0.838 2.466 1.00 0.29 H new ATOM 0 HD2 TYR B 62 -22.378 0.747 -0.969 1.00 0.27 H new ATOM 0 HE1 TYR B 62 -25.948 1.148 2.470 1.00 0.32 H new ATOM 0 HE2 TYR B 62 -23.881 2.725 -0.962 1.00 0.29 H new ATOM 0 HH TYR B 62 -25.598 3.767 0.023 1.00 0.34 H new ATOM 2013 N VAL B 63 -21.488 -4.427 1.048 1.00 0.27 N ATOM 2014 CA VAL B 63 -20.657 -5.555 0.558 1.00 0.28 C ATOM 2015 C VAL B 63 -21.579 -6.726 0.251 1.00 0.32 C ATOM 2016 O VAL B 63 -21.413 -7.429 -0.725 1.00 0.34 O ATOM 2017 CB VAL B 63 -19.649 -5.949 1.642 1.00 0.28 C ATOM 2018 CG1 VAL B 63 -18.995 -7.289 1.293 1.00 0.32 C ATOM 2019 CG2 VAL B 63 -18.568 -4.868 1.746 1.00 0.25 C ATOM 0 H VAL B 63 -21.335 -4.166 2.022 1.00 0.27 H new ATOM 0 HA VAL B 63 -20.111 -5.268 -0.341 1.00 0.28 H new ATOM 0 HB VAL B 63 -20.170 -6.045 2.595 1.00 0.28 H new ATOM 0 HG11 VAL B 63 -18.280 -7.559 2.071 1.00 0.32 H new ATOM 0 HG12 VAL B 63 -19.762 -8.060 1.221 1.00 0.32 H new ATOM 0 HG13 VAL B 63 -18.477 -7.203 0.338 1.00 0.32 H new ATOM 0 HG21 VAL B 63 -17.849 -5.145 2.517 1.00 0.25 H new ATOM 0 HG22 VAL B 63 -18.055 -4.773 0.789 1.00 0.25 H new ATOM 0 HG23 VAL B 63 -19.030 -3.916 2.007 1.00 0.25 H new ATOM 2029 N TYR B 64 -22.556 -6.934 1.083 1.00 0.34 N ATOM 2030 CA TYR B 64 -23.499 -8.054 0.853 1.00 0.38 C ATOM 2031 C TYR B 64 -24.232 -7.823 -0.466 1.00 0.39 C ATOM 2032 O TYR B 64 -24.412 -8.724 -1.259 1.00 0.41 O ATOM 2033 CB TYR B 64 -24.512 -8.105 2.002 1.00 0.41 C ATOM 2034 CG TYR B 64 -25.174 -9.463 2.041 1.00 0.46 C ATOM 2035 CD1 TYR B 64 -24.481 -10.570 2.569 1.00 0.48 C ATOM 2036 CD2 TYR B 64 -26.485 -9.623 1.550 1.00 0.49 C ATOM 2037 CE1 TYR B 64 -25.099 -11.835 2.607 1.00 0.52 C ATOM 2038 CE2 TYR B 64 -27.103 -10.888 1.588 1.00 0.54 C ATOM 2039 CZ TYR B 64 -26.409 -11.994 2.115 1.00 0.55 C ATOM 2040 OH TYR B 64 -27.014 -13.234 2.152 1.00 0.60 O ATOM 0 H TYR B 64 -22.742 -6.374 1.915 1.00 0.34 H new ATOM 0 HA TYR B 64 -22.954 -8.997 0.809 1.00 0.38 H new ATOM 0 HB2 TYR B 64 -24.011 -7.907 2.950 1.00 0.41 H new ATOM 0 HB3 TYR B 64 -25.264 -7.327 1.871 1.00 0.41 H new ATOM 0 HD1 TYR B 64 -23.476 -10.449 2.945 1.00 0.48 H new ATOM 0 HD2 TYR B 64 -27.016 -8.775 1.144 1.00 0.49 H new ATOM 0 HE1 TYR B 64 -24.568 -12.683 3.013 1.00 0.52 H new ATOM 0 HE2 TYR B 64 -28.109 -11.010 1.213 1.00 0.54 H new ATOM 0 HH TYR B 64 -27.916 -13.169 1.775 1.00 0.60 H new ATOM 2050 N ASP B 65 -24.652 -6.616 -0.698 1.00 0.36 N ATOM 2051 CA ASP B 65 -25.378 -6.302 -1.960 1.00 0.37 C ATOM 2052 C ASP B 65 -24.456 -6.552 -3.156 1.00 0.37 C ATOM 2053 O ASP B 65 -24.886 -6.975 -4.210 1.00 0.40 O ATOM 2054 CB ASP B 65 -25.807 -4.831 -1.938 1.00 0.35 C ATOM 2055 CG ASP B 65 -27.060 -4.669 -1.074 1.00 0.39 C ATOM 2056 OD1 ASP B 65 -27.179 -5.389 -0.097 1.00 1.11 O ATOM 2057 OD2 ASP B 65 -27.879 -3.827 -1.405 1.00 1.15 O ATOM 0 H ASP B 65 -24.524 -5.826 -0.065 1.00 0.36 H new ATOM 0 HA ASP B 65 -26.258 -6.939 -2.047 1.00 0.37 H new ATOM 0 HB2 ASP B 65 -25.000 -4.213 -1.544 1.00 0.35 H new ATOM 0 HB3 ASP B 65 -26.006 -4.486 -2.952 1.00 0.35 H new ATOM 2062 N LEU B 66 -23.190 -6.290 -2.997 1.00 0.33 N ATOM 2063 CA LEU B 66 -22.232 -6.506 -4.117 1.00 0.34 C ATOM 2064 C LEU B 66 -22.021 -8.009 -4.326 1.00 0.39 C ATOM 2065 O LEU B 66 -21.766 -8.463 -5.424 1.00 0.42 O ATOM 2066 CB LEU B 66 -20.898 -5.835 -3.759 1.00 0.31 C ATOM 2067 CG LEU B 66 -20.971 -4.320 -4.043 1.00 0.28 C ATOM 2068 CD1 LEU B 66 -19.908 -3.588 -3.222 1.00 0.24 C ATOM 2069 CD2 LEU B 66 -20.714 -4.042 -5.535 1.00 0.30 C ATOM 0 H LEU B 66 -22.775 -5.934 -2.136 1.00 0.33 H new ATOM 0 HA LEU B 66 -22.626 -6.073 -5.037 1.00 0.34 H new ATOM 0 HB2 LEU B 66 -20.668 -6.005 -2.707 1.00 0.31 H new ATOM 0 HB3 LEU B 66 -20.090 -6.283 -4.338 1.00 0.31 H new ATOM 0 HG LEU B 66 -21.966 -3.967 -3.771 1.00 0.28 H new ATOM 0 HD11 LEU B 66 -19.963 -2.519 -3.426 1.00 0.24 H new ATOM 0 HD12 LEU B 66 -20.083 -3.765 -2.161 1.00 0.24 H new ATOM 0 HD13 LEU B 66 -18.920 -3.958 -3.494 1.00 0.24 H new ATOM 0 HD21 LEU B 66 -20.769 -2.969 -5.720 1.00 0.30 H new ATOM 0 HD22 LEU B 66 -19.724 -4.407 -5.808 1.00 0.30 H new ATOM 0 HD23 LEU B 66 -21.467 -4.553 -6.135 1.00 0.30 H new ATOM 2081 N GLU B 67 -22.132 -8.779 -3.284 1.00 0.40 N ATOM 2082 CA GLU B 67 -21.945 -10.252 -3.420 1.00 0.45 C ATOM 2083 C GLU B 67 -23.153 -10.844 -4.144 1.00 0.50 C ATOM 2084 O GLU B 67 -23.057 -11.849 -4.820 1.00 0.55 O ATOM 2085 CB GLU B 67 -21.830 -10.879 -2.030 1.00 0.46 C ATOM 2086 CG GLU B 67 -20.537 -10.409 -1.359 1.00 0.44 C ATOM 2087 CD GLU B 67 -19.349 -11.205 -1.906 1.00 1.13 C ATOM 2088 OE1 GLU B 67 -19.275 -12.390 -1.625 1.00 1.88 O ATOM 2089 OE2 GLU B 67 -18.534 -10.614 -2.596 1.00 1.81 O ATOM 0 H GLU B 67 -22.345 -8.454 -2.341 1.00 0.40 H new ATOM 0 HA GLU B 67 -21.038 -10.457 -3.988 1.00 0.45 H new ATOM 0 HB2 GLU B 67 -22.690 -10.599 -1.422 1.00 0.46 H new ATOM 0 HB3 GLU B 67 -21.836 -11.966 -2.109 1.00 0.46 H new ATOM 0 HG2 GLU B 67 -20.388 -9.345 -1.541 1.00 0.44 H new ATOM 0 HG3 GLU B 67 -20.608 -10.541 -0.279 1.00 0.44 H new ATOM 2096 N LEU B 68 -24.291 -10.223 -4.008 1.00 0.49 N ATOM 2097 CA LEU B 68 -25.510 -10.743 -4.691 1.00 0.54 C ATOM 2098 C LEU B 68 -25.460 -10.375 -6.175 1.00 0.56 C ATOM 2099 O LEU B 68 -24.823 -11.039 -6.968 1.00 0.62 O ATOM 2100 CB LEU B 68 -26.757 -10.127 -4.061 1.00 0.55 C ATOM 2101 CG LEU B 68 -26.872 -10.561 -2.597 1.00 0.55 C ATOM 2102 CD1 LEU B 68 -28.077 -9.860 -1.978 1.00 0.56 C ATOM 2103 CD2 LEU B 68 -27.055 -12.090 -2.497 1.00 0.61 C ATOM 0 H LEU B 68 -24.431 -9.378 -3.454 1.00 0.49 H new ATOM 0 HA LEU B 68 -25.547 -11.827 -4.582 1.00 0.54 H new ATOM 0 HB2 LEU B 68 -26.707 -9.040 -4.124 1.00 0.55 H new ATOM 0 HB3 LEU B 68 -27.645 -10.438 -4.612 1.00 0.55 H new ATOM 0 HG LEU B 68 -25.960 -10.290 -2.066 1.00 0.55 H new ATOM 0 HD11 LEU B 68 -28.174 -10.158 -0.934 1.00 0.56 H new ATOM 0 HD12 LEU B 68 -27.939 -8.780 -2.036 1.00 0.56 H new ATOM 0 HD13 LEU B 68 -28.980 -10.140 -2.521 1.00 0.56 H new ATOM 0 HD21 LEU B 68 -27.135 -12.379 -1.449 1.00 0.61 H new ATOM 0 HD22 LEU B 68 -27.963 -12.383 -3.024 1.00 0.61 H new ATOM 0 HD23 LEU B 68 -26.197 -12.589 -2.947 1.00 0.61 H new ATOM 2115 N ASN B 69 -26.129 -9.318 -6.559 1.00 0.61 N ATOM 2116 CA ASN B 69 -26.123 -8.904 -7.993 1.00 0.64 C ATOM 2117 C ASN B 69 -24.949 -7.957 -8.244 1.00 0.70 C ATOM 2118 O ASN B 69 -24.907 -6.913 -7.613 1.00 1.15 O ATOM 2119 CB ASN B 69 -27.434 -8.184 -8.319 1.00 0.82 C ATOM 2120 CG ASN B 69 -27.417 -7.731 -9.779 1.00 1.67 C ATOM 2121 OD1 ASN B 69 -28.047 -6.753 -10.132 1.00 2.45 O ATOM 2122 ND2 ASN B 69 -26.717 -8.405 -10.650 1.00 2.41 N ATOM 2123 OXT ASN B 69 -24.109 -8.290 -9.065 1.00 1.44 O ATOM 0 H ASN B 69 -26.680 -8.723 -5.940 1.00 0.61 H new ATOM 0 HA ASN B 69 -26.022 -9.785 -8.626 1.00 0.64 H new ATOM 0 HB2 ASN B 69 -28.280 -8.849 -8.143 1.00 0.82 H new ATOM 0 HB3 ASN B 69 -27.562 -7.324 -7.662 1.00 0.82 H new ATOM 0 HD21 ASN B 69 -26.699 -8.111 -11.627 1.00 2.41 H new ATOM 0 HD22 ASN B 69 -26.188 -9.226 -10.354 1.00 2.41 H new TER 2130 ASN B 69 HETATM 2131 O HOH A 201 6.304 1.571 5.688 1.00 0.36 O HETATM 2134 O HOH A 202 4.274 5.605 6.519 1.00 0.70 O HETATM 2137 O HOH B 301 -6.400 -1.436 5.682 1.00 0.35 O HETATM 2140 O HOH B 302 -4.401 -5.467 6.584 1.00 1.65 O