USER MOD reduce.3.24.130724 H: found=0, std=0, add=1080, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1074 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 14 TYR OH : rot 75:sc= 0.0569 USER MOD Set 1.2: B 36 ASN : amide:sc= -1.27 X(o=-1.2,f=-1.3) USER MOD Set 2.1: A 14 TYR OH : rot 75:sc= 0.0534 USER MOD Set 2.2: A 36 ASN : amide:sc= -1.28 X(o=-1.2,f=-1.3) USER MOD Single : A 1 SER N :NH3+ -149:sc= 0 (180deg=-0.414) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 57:sc= -1.46 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.441 USER MOD Single : A 8 THR OG1 : rot -92:sc= -1.18 USER MOD Single : A 23 HIS : no HD1:sc= -3.74! C(o=-3.7!,f=-3.9!) USER MOD Single : A 25 LYS NZ :NH3+ -157:sc= -0.102 (180deg=-0.745) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.141 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0706 USER MOD Single : A 30 THR OG1 : rot 100:sc= -1.5! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 147:sc= 0.195 (180deg=0.0755) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0137 USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00963 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -4.94 K(o=-4.9,f=-6.3!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= 0.0444 K(o=0.044,f=-5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 30:sc= -0.0193 USER MOD Single : A 63 ASN : amide:sc= -1.1 K(o=-1.1,f=-6.1!) USER MOD Single : A 64 SER OG : rot 105:sc= 0.891 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : B 1 SER N :NH3+ -150:sc= 0 (180deg=-0.415) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 57:sc= -1.48 USER MOD Single : B 7 THR OG1 : rot 180:sc= -0.416 USER MOD Single : B 8 THR OG1 : rot -90:sc= -1.19 USER MOD Single : B 23 HIS : no HD1:sc= -3.52! C(o=-3.5!,f=-3.8!) USER MOD Single : B 25 LYS NZ :NH3+ -154:sc= -0.0849 (180deg=-0.718) USER MOD Single : B 27 TYR OH : rot 180:sc= -0.156 USER MOD Single : B 29 TYR OH : rot 15:sc= -0.121 USER MOD Single : B 30 THR OG1 : rot 110:sc= -1.51! USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 159:sc= 0.187 (180deg=0.0711) USER MOD Single : B 35 SER OG : rot 180:sc= -0.0228 USER MOD Single : B 43 THR OG1 : rot 180:sc= -0.0149 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 ASN : amide:sc= -4.17 K(o=-4.2,f=-5.5!) USER MOD Single : B 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 52 ASN : amide:sc= 0.147 K(o=0.15,f=-4.7!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 TYR OH : rot 30:sc= -0.0174 USER MOD Single : B 63 ASN : amide:sc= -1.14 K(o=-1.1,f=-5.6!) USER MOD Single : B 64 SER OG : rot 105:sc= 0.873 USER MOD Single : B 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.526 -14.875 -9.379 1.00 0.00 N ATOM 2 CA SER A 1 9.795 -13.431 -9.133 1.00 0.00 C ATOM 3 C SER A 1 10.077 -13.212 -7.638 1.00 0.00 C ATOM 4 O SER A 1 9.192 -12.826 -6.901 1.00 0.00 O ATOM 5 CB SER A 1 8.575 -12.606 -9.548 1.00 0.00 C ATOM 6 OG SER A 1 8.406 -12.687 -10.956 1.00 0.00 O ATOM 0 H1 SER A 1 9.846 -15.130 -10.335 1.00 0.00 H new ATOM 0 H2 SER A 1 10.039 -15.448 -8.679 1.00 0.00 H new ATOM 0 H3 SER A 1 8.506 -15.057 -9.295 1.00 0.00 H new ATOM 0 HA SER A 1 10.660 -13.117 -9.717 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.683 -12.976 -9.042 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.705 -11.567 -9.246 1.00 0.00 H new ATOM 0 HG SER A 1 7.624 -12.160 -11.222 1.00 0.00 H new ATOM 12 N PRO A 2 11.305 -13.459 -7.229 1.00 0.00 N ATOM 13 CA PRO A 2 11.700 -13.285 -5.820 1.00 0.00 C ATOM 14 C PRO A 2 11.469 -11.839 -5.381 1.00 0.00 C ATOM 15 O PRO A 2 12.038 -10.915 -5.930 1.00 0.00 O ATOM 16 CB PRO A 2 13.197 -13.629 -5.784 1.00 0.00 C ATOM 17 CG PRO A 2 13.622 -14.043 -7.216 1.00 0.00 C ATOM 18 CD PRO A 2 12.388 -13.926 -8.122 1.00 0.00 C ATOM 0 HA PRO A 2 11.120 -13.916 -5.146 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.778 -12.771 -5.446 1.00 0.00 H new ATOM 0 HB3 PRO A 2 13.386 -14.439 -5.080 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.424 -13.400 -7.578 1.00 0.00 H new ATOM 0 HG3 PRO A 2 14.005 -15.064 -7.221 1.00 0.00 H new ATOM 0 HD2 PRO A 2 12.560 -13.222 -8.936 1.00 0.00 H new ATOM 0 HD3 PRO A 2 12.139 -14.885 -8.577 1.00 0.00 H new ATOM 26 N TYR A 3 10.635 -11.633 -4.399 1.00 0.00 N ATOM 27 CA TYR A 3 10.363 -10.244 -3.930 1.00 0.00 C ATOM 28 C TYR A 3 11.375 -9.852 -2.853 1.00 0.00 C ATOM 29 O TYR A 3 11.340 -10.347 -1.743 1.00 0.00 O ATOM 30 CB TYR A 3 8.949 -10.174 -3.349 1.00 0.00 C ATOM 31 CG TYR A 3 7.941 -10.392 -4.450 1.00 0.00 C ATOM 32 CD1 TYR A 3 7.988 -9.599 -5.619 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.950 -11.391 -4.314 1.00 0.00 C ATOM 34 CE1 TYR A 3 7.045 -9.805 -6.651 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.007 -11.596 -5.345 1.00 0.00 C ATOM 36 CZ TYR A 3 6.055 -10.803 -6.515 1.00 0.00 C ATOM 37 OH TYR A 3 5.134 -11.004 -7.523 1.00 0.00 O ATOM 0 H TYR A 3 10.130 -12.366 -3.901 1.00 0.00 H new ATOM 0 HA TYR A 3 10.450 -9.556 -4.771 1.00 0.00 H new ATOM 0 HB2 TYR A 3 8.825 -10.930 -2.573 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.785 -9.205 -2.878 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.745 -8.836 -5.724 1.00 0.00 H new ATOM 0 HD2 TYR A 3 6.914 -11.998 -3.421 1.00 0.00 H new ATOM 0 HE1 TYR A 3 7.081 -9.199 -7.544 1.00 0.00 H new ATOM 0 HE2 TYR A 3 5.249 -12.358 -5.240 1.00 0.00 H new ATOM 0 HH TYR A 3 4.525 -11.729 -7.270 1.00 0.00 H new ATOM 47 N SER A 4 12.272 -8.958 -3.168 1.00 0.00 N ATOM 48 CA SER A 4 13.282 -8.523 -2.163 1.00 0.00 C ATOM 49 C SER A 4 13.143 -7.016 -1.936 1.00 0.00 C ATOM 50 O SER A 4 12.595 -6.573 -0.947 1.00 0.00 O ATOM 51 CB SER A 4 14.687 -8.834 -2.682 1.00 0.00 C ATOM 52 OG SER A 4 15.127 -10.072 -2.144 1.00 0.00 O ATOM 0 H SER A 4 12.349 -8.509 -4.081 1.00 0.00 H new ATOM 0 HA SER A 4 13.120 -9.054 -1.225 1.00 0.00 H new ATOM 0 HB2 SER A 4 14.682 -8.880 -3.771 1.00 0.00 H new ATOM 0 HB3 SER A 4 15.375 -8.037 -2.400 1.00 0.00 H new ATOM 0 HG SER A 4 16.026 -10.272 -2.478 1.00 0.00 H new ATOM 58 N SER A 5 13.630 -6.226 -2.854 1.00 0.00 N ATOM 59 CA SER A 5 13.521 -4.747 -2.703 1.00 0.00 C ATOM 60 C SER A 5 12.872 -4.168 -3.963 1.00 0.00 C ATOM 61 O SER A 5 13.545 -3.705 -4.863 1.00 0.00 O ATOM 62 CB SER A 5 14.915 -4.145 -2.523 1.00 0.00 C ATOM 63 OG SER A 5 15.849 -4.865 -3.314 1.00 0.00 O ATOM 0 H SER A 5 14.099 -6.541 -3.703 1.00 0.00 H new ATOM 0 HA SER A 5 12.914 -4.509 -1.830 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.909 -3.095 -2.814 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.206 -4.183 -1.473 1.00 0.00 H new ATOM 0 HG SER A 5 15.562 -4.853 -4.251 1.00 0.00 H new ATOM 69 N ASP A 6 11.570 -4.201 -4.038 1.00 0.00 N ATOM 70 CA ASP A 6 10.879 -3.666 -5.244 1.00 0.00 C ATOM 71 C ASP A 6 9.473 -3.204 -4.872 1.00 0.00 C ATOM 72 O ASP A 6 9.203 -2.863 -3.738 1.00 0.00 O ATOM 73 CB ASP A 6 10.812 -4.767 -6.312 1.00 0.00 C ATOM 74 CG ASP A 6 9.926 -5.915 -5.819 1.00 0.00 C ATOM 75 OD1 ASP A 6 10.296 -6.545 -4.843 1.00 0.00 O ATOM 76 OD2 ASP A 6 8.895 -6.146 -6.431 1.00 0.00 O ATOM 0 H ASP A 6 10.955 -4.576 -3.316 1.00 0.00 H new ATOM 0 HA ASP A 6 11.431 -2.813 -5.639 1.00 0.00 H new ATOM 0 HB2 ASP A 6 10.413 -4.361 -7.241 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.814 -5.137 -6.530 1.00 0.00 H new ATOM 81 N THR A 7 8.579 -3.172 -5.819 1.00 0.00 N ATOM 82 CA THR A 7 7.207 -2.710 -5.513 1.00 0.00 C ATOM 83 C THR A 7 6.410 -3.841 -4.861 1.00 0.00 C ATOM 84 O THR A 7 6.860 -4.965 -4.778 1.00 0.00 O ATOM 85 CB THR A 7 6.518 -2.273 -6.808 1.00 0.00 C ATOM 86 OG1 THR A 7 5.147 -2.011 -6.552 1.00 0.00 O ATOM 87 CG2 THR A 7 6.638 -3.390 -7.848 1.00 0.00 C ATOM 0 H THR A 7 8.743 -3.446 -6.788 1.00 0.00 H new ATOM 0 HA THR A 7 7.255 -1.867 -4.824 1.00 0.00 H new ATOM 0 HB THR A 7 6.995 -1.369 -7.186 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.707 -1.730 -7.381 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.148 -3.081 -8.771 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.691 -3.592 -8.046 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.161 -4.293 -7.468 1.00 0.00 H new ATOM 95 N THR A 8 5.226 -3.548 -4.400 1.00 0.00 N ATOM 96 CA THR A 8 4.391 -4.597 -3.755 1.00 0.00 C ATOM 97 C THR A 8 2.908 -4.284 -4.008 1.00 0.00 C ATOM 98 O THR A 8 2.348 -3.420 -3.364 1.00 0.00 O ATOM 99 CB THR A 8 4.661 -4.609 -2.248 1.00 0.00 C ATOM 100 OG1 THR A 8 6.057 -4.485 -2.017 1.00 0.00 O ATOM 101 CG2 THR A 8 4.161 -5.925 -1.648 1.00 0.00 C ATOM 0 H THR A 8 4.800 -2.622 -4.443 1.00 0.00 H new ATOM 0 HA THR A 8 4.637 -5.573 -4.173 1.00 0.00 H new ATOM 0 HB THR A 8 4.138 -3.775 -1.780 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.458 -5.377 -1.953 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.354 -5.932 -0.575 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.090 -6.022 -1.825 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.683 -6.760 -2.116 1.00 0.00 H new ATOM 109 N PRO A 9 2.312 -4.992 -4.944 1.00 0.00 N ATOM 110 CA PRO A 9 0.896 -4.788 -5.286 1.00 0.00 C ATOM 111 C PRO A 9 0.020 -5.007 -4.053 1.00 0.00 C ATOM 112 O PRO A 9 -0.272 -6.124 -3.674 1.00 0.00 O ATOM 113 CB PRO A 9 0.597 -5.843 -6.361 1.00 0.00 C ATOM 114 CG PRO A 9 1.909 -6.628 -6.626 1.00 0.00 C ATOM 115 CD PRO A 9 2.993 -6.044 -5.728 1.00 0.00 C ATOM 0 HA PRO A 9 0.693 -3.777 -5.640 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.192 -6.517 -6.027 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.244 -5.368 -7.276 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.769 -7.688 -6.415 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.197 -6.547 -7.674 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.421 -6.807 -5.078 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.813 -5.631 -6.316 1.00 0.00 H new ATOM 123 N CYS A 10 -0.399 -3.946 -3.423 1.00 0.00 N ATOM 124 CA CYS A 10 -1.252 -4.086 -2.212 1.00 0.00 C ATOM 125 C CYS A 10 -2.421 -3.121 -2.294 1.00 0.00 C ATOM 126 O CYS A 10 -2.576 -2.389 -3.251 1.00 0.00 O ATOM 127 CB CYS A 10 -0.426 -3.764 -0.965 1.00 0.00 C ATOM 128 SG CYS A 10 0.124 -5.297 -0.177 1.00 0.00 S ATOM 0 H CYS A 10 -0.187 -2.986 -3.695 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.625 -5.109 -2.154 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.436 -3.155 -1.237 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.022 -3.179 -0.265 1.00 0.00 H new ATOM 133 N CYS A 11 -3.246 -3.119 -1.295 1.00 0.00 N ATOM 134 CA CYS A 11 -4.409 -2.207 -1.303 1.00 0.00 C ATOM 135 C CYS A 11 -4.290 -1.262 -0.093 1.00 0.00 C ATOM 136 O CYS A 11 -3.593 -1.551 0.860 1.00 0.00 O ATOM 137 CB CYS A 11 -5.699 -3.064 -1.291 1.00 0.00 C ATOM 138 SG CYS A 11 -6.839 -2.634 0.053 1.00 0.00 S ATOM 0 H CYS A 11 -3.164 -3.713 -0.470 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.444 -1.584 -2.197 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.213 -2.946 -2.245 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.427 -4.116 -1.203 1.00 0.00 H new ATOM 143 N PHE A 12 -4.962 -0.144 -0.119 1.00 0.00 N ATOM 144 CA PHE A 12 -4.879 0.796 1.035 1.00 0.00 C ATOM 145 C PHE A 12 -6.209 0.797 1.787 1.00 0.00 C ATOM 146 O PHE A 12 -6.314 0.288 2.886 1.00 0.00 O ATOM 147 CB PHE A 12 -4.579 2.209 0.533 1.00 0.00 C ATOM 148 CG PHE A 12 -4.424 3.138 1.713 1.00 0.00 C ATOM 149 CD1 PHE A 12 -3.174 3.254 2.360 1.00 0.00 C ATOM 150 CD2 PHE A 12 -5.533 3.880 2.180 1.00 0.00 C ATOM 151 CE1 PHE A 12 -3.031 4.112 3.473 1.00 0.00 C ATOM 152 CE2 PHE A 12 -5.390 4.740 3.293 1.00 0.00 C ATOM 153 CZ PHE A 12 -4.139 4.856 3.938 1.00 0.00 C ATOM 0 H PHE A 12 -5.563 0.159 -0.886 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.080 0.474 1.703 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.668 2.208 -0.066 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.385 2.556 -0.114 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.327 2.686 2.004 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.489 3.790 1.687 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.075 4.199 3.968 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.237 5.308 3.650 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.029 5.514 4.787 1.00 0.00 H new ATOM 163 N ALA A 13 -7.231 1.360 1.202 1.00 0.00 N ATOM 164 CA ALA A 13 -8.555 1.389 1.881 1.00 0.00 C ATOM 165 C ALA A 13 -9.499 0.423 1.183 1.00 0.00 C ATOM 166 O ALA A 13 -9.388 0.176 -0.002 1.00 0.00 O ATOM 167 CB ALA A 13 -9.130 2.806 1.828 1.00 0.00 C ATOM 0 H ALA A 13 -7.205 1.801 0.283 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.438 1.092 2.923 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.099 2.824 2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.450 3.493 2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.250 3.111 0.789 1.00 0.00 H new ATOM 173 N TYR A 14 -10.421 -0.137 1.908 1.00 0.00 N ATOM 174 CA TYR A 14 -11.359 -1.102 1.281 1.00 0.00 C ATOM 175 C TYR A 14 -12.608 -0.360 0.805 1.00 0.00 C ATOM 176 O TYR A 14 -13.043 0.600 1.412 1.00 0.00 O ATOM 177 CB TYR A 14 -11.767 -2.195 2.281 1.00 0.00 C ATOM 178 CG TYR A 14 -10.630 -2.485 3.239 1.00 0.00 C ATOM 179 CD1 TYR A 14 -9.554 -3.306 2.833 1.00 0.00 C ATOM 180 CD2 TYR A 14 -10.638 -1.921 4.534 1.00 0.00 C ATOM 181 CE1 TYR A 14 -8.487 -3.565 3.724 1.00 0.00 C ATOM 182 CE2 TYR A 14 -9.573 -2.182 5.426 1.00 0.00 C ATOM 183 CZ TYR A 14 -8.497 -3.003 5.020 1.00 0.00 C ATOM 184 OH TYR A 14 -7.456 -3.258 5.890 1.00 0.00 O ATOM 0 H TYR A 14 -10.566 0.031 2.904 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.858 -1.573 0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.648 -1.877 2.838 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.040 -3.104 1.745 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.547 -3.736 1.842 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -11.458 -1.290 4.843 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.665 -4.192 3.414 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.582 -1.754 6.418 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.672 -2.734 5.624 1.00 0.00 H new ATOM 194 N ILE A 15 -13.193 -0.797 -0.277 1.00 0.00 N ATOM 195 CA ILE A 15 -14.416 -0.118 -0.788 1.00 0.00 C ATOM 196 C ILE A 15 -15.529 -0.231 0.255 1.00 0.00 C ATOM 197 O ILE A 15 -15.758 -1.282 0.820 1.00 0.00 O ATOM 198 CB ILE A 15 -14.863 -0.787 -2.090 1.00 0.00 C ATOM 199 CG1 ILE A 15 -16.112 -0.083 -2.621 1.00 0.00 C ATOM 200 CG2 ILE A 15 -15.183 -2.260 -1.823 1.00 0.00 C ATOM 201 CD1 ILE A 15 -15.742 0.756 -3.846 1.00 0.00 C ATOM 0 H ILE A 15 -12.876 -1.595 -0.828 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.200 0.933 -0.978 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.064 -0.717 -2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.872 -0.818 -2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.541 0.553 -1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.501 -2.737 -2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -14.293 -2.763 -1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -15.982 -2.331 -1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -16.632 1.258 -4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.997 1.500 -3.566 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -15.333 0.108 -4.621 1.00 0.00 H new ATOM 213 N ALA A 16 -16.221 0.843 0.515 1.00 0.00 N ATOM 214 CA ALA A 16 -17.317 0.795 1.521 1.00 0.00 C ATOM 215 C ALA A 16 -18.620 0.384 0.834 1.00 0.00 C ATOM 216 O ALA A 16 -19.575 1.135 0.790 1.00 0.00 O ATOM 217 CB ALA A 16 -17.485 2.177 2.155 1.00 0.00 C ATOM 0 H ALA A 16 -16.075 1.751 0.074 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.071 0.068 2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.287 2.144 2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.555 2.469 2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -17.732 2.904 1.382 1.00 0.00 H new ATOM 223 N ARG A 17 -18.664 -0.803 0.293 1.00 0.00 N ATOM 224 CA ARG A 17 -19.901 -1.269 -0.394 1.00 0.00 C ATOM 225 C ARG A 17 -19.615 -2.621 -1.074 1.00 0.00 C ATOM 226 O ARG A 17 -18.699 -2.715 -1.866 1.00 0.00 O ATOM 227 CB ARG A 17 -20.309 -0.246 -1.457 1.00 0.00 C ATOM 228 CG ARG A 17 -21.735 0.238 -1.181 1.00 0.00 C ATOM 229 CD ARG A 17 -22.707 -0.478 -2.121 1.00 0.00 C ATOM 230 NE ARG A 17 -23.893 0.391 -2.364 1.00 0.00 N ATOM 231 CZ ARG A 17 -24.567 0.279 -3.476 1.00 0.00 C ATOM 232 NH1 ARG A 17 -24.032 0.659 -4.605 1.00 0.00 N ATOM 233 NH2 ARG A 17 -25.776 -0.213 -3.460 1.00 0.00 N ATOM 0 H ARG A 17 -17.894 -1.472 0.298 1.00 0.00 H new ATOM 0 HA ARG A 17 -20.707 -1.380 0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -19.619 0.598 -1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -20.252 -0.694 -2.449 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -22.003 0.040 -0.143 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -21.799 1.316 -1.327 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -22.213 -0.710 -3.065 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -23.021 -1.426 -1.684 1.00 0.00 H new ATOM 0 HE ARG A 17 -24.178 1.073 -1.661 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -23.087 1.043 -4.618 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -24.559 0.571 -5.474 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -26.194 -0.510 -2.578 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -26.303 -0.300 -4.329 1.00 0.00 H new ATOM 247 N PRO A 18 -20.393 -3.639 -0.756 1.00 0.00 N ATOM 248 CA PRO A 18 -20.195 -4.970 -1.352 1.00 0.00 C ATOM 249 C PRO A 18 -20.275 -4.898 -2.876 1.00 0.00 C ATOM 250 O PRO A 18 -21.343 -4.891 -3.455 1.00 0.00 O ATOM 251 CB PRO A 18 -21.333 -5.832 -0.790 1.00 0.00 C ATOM 252 CG PRO A 18 -22.178 -4.941 0.156 1.00 0.00 C ATOM 253 CD PRO A 18 -21.517 -3.556 0.203 1.00 0.00 C ATOM 0 HA PRO A 18 -19.214 -5.382 -1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -21.950 -6.224 -1.598 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -20.932 -6.690 -0.250 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -23.203 -4.864 -0.205 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -22.224 -5.378 1.154 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -22.220 -2.773 -0.079 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -21.164 -3.321 1.207 1.00 0.00 H new ATOM 261 N LEU A 19 -19.146 -4.850 -3.527 1.00 0.00 N ATOM 262 CA LEU A 19 -19.142 -4.788 -5.014 1.00 0.00 C ATOM 263 C LEU A 19 -19.913 -5.996 -5.569 1.00 0.00 C ATOM 264 O LEU A 19 -19.521 -7.119 -5.329 1.00 0.00 O ATOM 265 CB LEU A 19 -17.697 -4.852 -5.518 1.00 0.00 C ATOM 266 CG LEU A 19 -16.855 -3.754 -4.864 1.00 0.00 C ATOM 267 CD1 LEU A 19 -15.464 -3.736 -5.501 1.00 0.00 C ATOM 268 CD2 LEU A 19 -17.522 -2.390 -5.065 1.00 0.00 C ATOM 0 H LEU A 19 -18.224 -4.851 -3.091 1.00 0.00 H new ATOM 0 HA LEU A 19 -19.610 -3.861 -5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -17.270 -5.829 -5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -17.678 -4.737 -6.602 1.00 0.00 H new ATOM 0 HG LEU A 19 -16.771 -3.957 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.862 -2.955 -5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.983 -4.702 -5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.555 -3.538 -6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.915 -1.616 -4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -17.613 -2.183 -6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -18.513 -2.399 -4.611 1.00 0.00 H new ATOM 280 N PRO A 20 -20.983 -5.756 -6.301 1.00 0.00 N ATOM 281 CA PRO A 20 -21.771 -6.858 -6.873 1.00 0.00 C ATOM 282 C PRO A 20 -20.868 -7.750 -7.727 1.00 0.00 C ATOM 283 O PRO A 20 -20.216 -7.294 -8.644 1.00 0.00 O ATOM 284 CB PRO A 20 -22.841 -6.173 -7.736 1.00 0.00 C ATOM 285 CG PRO A 20 -22.688 -4.642 -7.547 1.00 0.00 C ATOM 286 CD PRO A 20 -21.486 -4.404 -6.621 1.00 0.00 C ATOM 0 HA PRO A 20 -22.219 -7.496 -6.111 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -22.718 -6.443 -8.785 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -23.838 -6.498 -7.438 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -22.533 -4.152 -8.508 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -23.594 -4.218 -7.115 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -20.721 -3.803 -7.113 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -21.781 -3.868 -5.719 1.00 0.00 H new ATOM 294 N ARG A 21 -20.816 -9.020 -7.425 1.00 0.00 N ATOM 295 CA ARG A 21 -19.947 -9.943 -8.210 1.00 0.00 C ATOM 296 C ARG A 21 -20.229 -9.779 -9.706 1.00 0.00 C ATOM 297 O ARG A 21 -19.396 -10.071 -10.540 1.00 0.00 O ATOM 298 CB ARG A 21 -20.233 -11.387 -7.794 1.00 0.00 C ATOM 299 CG ARG A 21 -19.114 -12.296 -8.308 1.00 0.00 C ATOM 300 CD ARG A 21 -19.490 -12.838 -9.688 1.00 0.00 C ATOM 301 NE ARG A 21 -19.628 -14.320 -9.622 1.00 0.00 N ATOM 302 CZ ARG A 21 -19.330 -15.049 -10.663 1.00 0.00 C ATOM 303 NH1 ARG A 21 -18.409 -14.651 -11.498 1.00 0.00 N ATOM 304 NH2 ARG A 21 -19.951 -16.178 -10.869 1.00 0.00 N ATOM 0 H ARG A 21 -21.339 -9.458 -6.667 1.00 0.00 H new ATOM 0 HA ARG A 21 -18.902 -9.704 -8.014 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -20.304 -11.457 -6.709 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -21.193 -11.710 -8.197 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -18.178 -11.741 -8.366 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -18.953 -13.120 -7.613 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -20.425 -12.390 -10.023 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -18.727 -12.566 -10.417 1.00 0.00 H new ATOM 0 HE ARG A 21 -19.955 -14.765 -8.764 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.921 -13.770 -11.337 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.177 -15.221 -12.311 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -20.670 -16.491 -10.216 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -19.718 -16.747 -11.683 1.00 0.00 H new ATOM 318 N ALA A 22 -21.398 -9.315 -10.053 1.00 0.00 N ATOM 319 CA ALA A 22 -21.727 -9.136 -11.494 1.00 0.00 C ATOM 320 C ALA A 22 -20.859 -8.025 -12.086 1.00 0.00 C ATOM 321 O ALA A 22 -20.306 -8.164 -13.160 1.00 0.00 O ATOM 322 CB ALA A 22 -23.204 -8.760 -11.636 1.00 0.00 C ATOM 0 H ALA A 22 -22.138 -9.053 -9.402 1.00 0.00 H new ATOM 0 HA ALA A 22 -21.534 -10.067 -12.027 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -23.446 -8.629 -12.691 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -23.823 -9.553 -11.218 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -23.396 -7.830 -11.101 1.00 0.00 H new ATOM 328 N HIS A 23 -20.735 -6.920 -11.403 1.00 0.00 N ATOM 329 CA HIS A 23 -19.902 -5.808 -11.939 1.00 0.00 C ATOM 330 C HIS A 23 -18.419 -6.136 -11.753 1.00 0.00 C ATOM 331 O HIS A 23 -17.566 -5.556 -12.394 1.00 0.00 O ATOM 332 CB HIS A 23 -20.227 -4.509 -11.198 1.00 0.00 C ATOM 333 CG HIS A 23 -21.719 -4.307 -11.153 1.00 0.00 C ATOM 334 ND1 HIS A 23 -22.296 -3.194 -10.554 1.00 0.00 N ATOM 335 CD2 HIS A 23 -22.764 -5.053 -11.644 1.00 0.00 C ATOM 336 CE1 HIS A 23 -23.623 -3.297 -10.695 1.00 0.00 C ATOM 337 NE2 HIS A 23 -23.964 -4.414 -11.354 1.00 0.00 N ATOM 0 H HIS A 23 -21.173 -6.740 -10.500 1.00 0.00 H new ATOM 0 HA HIS A 23 -20.119 -5.685 -13.000 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -19.825 -4.547 -10.185 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -19.751 -3.665 -11.698 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -22.668 -5.990 -12.173 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -24.331 -2.571 -10.324 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -24.905 -4.728 -11.592 1.00 0.00 H new ATOM 345 N ILE A 24 -18.098 -7.060 -10.886 1.00 0.00 N ATOM 346 CA ILE A 24 -16.663 -7.405 -10.682 1.00 0.00 C ATOM 347 C ILE A 24 -16.239 -8.442 -11.714 1.00 0.00 C ATOM 348 O ILE A 24 -17.052 -9.103 -12.328 1.00 0.00 O ATOM 349 CB ILE A 24 -16.435 -7.974 -9.281 1.00 0.00 C ATOM 350 CG1 ILE A 24 -16.846 -6.949 -8.221 1.00 0.00 C ATOM 351 CG2 ILE A 24 -14.954 -8.315 -9.105 1.00 0.00 C ATOM 352 CD1 ILE A 24 -16.695 -7.563 -6.827 1.00 0.00 C ATOM 0 H ILE A 24 -18.761 -7.585 -10.316 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.071 -6.497 -10.794 1.00 0.00 H new ATOM 0 HB ILE A 24 -17.039 -8.873 -9.162 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -16.227 -6.056 -8.305 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -17.878 -6.638 -8.382 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -14.790 -8.721 -8.107 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.660 -9.054 -9.850 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.355 -7.413 -9.233 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.988 -6.832 -6.074 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -17.333 -8.443 -6.746 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -15.656 -7.852 -6.667 1.00 0.00 H new ATOM 364 N LYS A 25 -14.964 -8.574 -11.907 1.00 0.00 N ATOM 365 CA LYS A 25 -14.449 -9.547 -12.895 1.00 0.00 C ATOM 366 C LYS A 25 -13.544 -10.561 -12.187 1.00 0.00 C ATOM 367 O LYS A 25 -13.394 -11.685 -12.622 1.00 0.00 O ATOM 368 CB LYS A 25 -13.641 -8.780 -13.934 1.00 0.00 C ATOM 369 CG LYS A 25 -14.159 -9.094 -15.339 1.00 0.00 C ATOM 370 CD LYS A 25 -13.322 -8.337 -16.371 1.00 0.00 C ATOM 371 CE LYS A 25 -13.703 -8.799 -17.779 1.00 0.00 C ATOM 372 NZ LYS A 25 -13.333 -10.231 -17.948 1.00 0.00 N ATOM 0 H LYS A 25 -14.247 -8.041 -11.415 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.272 -10.079 -13.372 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.711 -7.709 -13.743 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.587 -9.049 -13.858 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.105 -10.166 -15.527 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.207 -8.808 -15.424 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.487 -7.264 -16.272 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.261 -8.514 -16.194 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.773 -8.667 -17.939 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.192 -8.190 -18.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.218 -10.443 -18.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.439 -10.419 -17.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.083 -10.832 -17.551 1.00 0.00 H new ATOM 386 N GLU A 26 -12.927 -10.162 -11.106 1.00 0.00 N ATOM 387 CA GLU A 26 -12.017 -11.079 -10.374 1.00 0.00 C ATOM 388 C GLU A 26 -11.656 -10.433 -9.035 1.00 0.00 C ATOM 389 O GLU A 26 -12.336 -9.544 -8.570 1.00 0.00 O ATOM 390 CB GLU A 26 -10.729 -11.337 -11.190 1.00 0.00 C ATOM 391 CG GLU A 26 -10.546 -10.325 -12.333 1.00 0.00 C ATOM 392 CD GLU A 26 -10.954 -10.953 -13.671 1.00 0.00 C ATOM 393 OE1 GLU A 26 -11.262 -12.134 -13.685 1.00 0.00 O ATOM 394 OE2 GLU A 26 -10.936 -10.243 -14.663 1.00 0.00 O ATOM 0 H GLU A 26 -13.018 -9.231 -10.699 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.516 -12.035 -10.215 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.866 -11.291 -10.526 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.760 -12.345 -11.603 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.149 -9.437 -12.142 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.506 -10.001 -12.378 1.00 0.00 H new ATOM 401 N TYR A 27 -10.590 -10.865 -8.421 1.00 0.00 N ATOM 402 CA TYR A 27 -10.162 -10.283 -7.128 1.00 0.00 C ATOM 403 C TYR A 27 -8.728 -10.722 -6.899 1.00 0.00 C ATOM 404 O TYR A 27 -8.362 -11.845 -7.188 1.00 0.00 O ATOM 405 CB TYR A 27 -11.061 -10.793 -6.002 1.00 0.00 C ATOM 406 CG TYR A 27 -10.967 -12.300 -5.910 1.00 0.00 C ATOM 407 CD1 TYR A 27 -9.986 -12.901 -5.090 1.00 0.00 C ATOM 408 CD2 TYR A 27 -11.866 -13.108 -6.643 1.00 0.00 C ATOM 409 CE1 TYR A 27 -9.903 -14.309 -5.002 1.00 0.00 C ATOM 410 CE2 TYR A 27 -11.783 -14.517 -6.555 1.00 0.00 C ATOM 411 CZ TYR A 27 -10.801 -15.117 -5.735 1.00 0.00 C ATOM 412 OH TYR A 27 -10.722 -16.492 -5.647 1.00 0.00 O ATOM 0 H TYR A 27 -9.989 -11.611 -8.771 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.235 -9.196 -7.144 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.763 -10.343 -5.055 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.093 -10.495 -6.186 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.299 -12.284 -4.530 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.616 -12.649 -7.270 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.153 -14.768 -4.374 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.470 -15.134 -7.114 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.413 -16.896 -6.213 1.00 0.00 H new ATOM 422 N PHE A 28 -7.907 -9.852 -6.406 1.00 0.00 N ATOM 423 CA PHE A 28 -6.498 -10.235 -6.191 1.00 0.00 C ATOM 424 C PHE A 28 -6.115 -9.928 -4.742 1.00 0.00 C ATOM 425 O PHE A 28 -5.925 -8.794 -4.365 1.00 0.00 O ATOM 426 CB PHE A 28 -5.605 -9.455 -7.181 1.00 0.00 C ATOM 427 CG PHE A 28 -4.168 -9.437 -6.704 1.00 0.00 C ATOM 428 CD1 PHE A 28 -3.754 -8.447 -5.790 1.00 0.00 C ATOM 429 CD2 PHE A 28 -3.275 -10.460 -7.090 1.00 0.00 C ATOM 430 CE1 PHE A 28 -2.454 -8.474 -5.256 1.00 0.00 C ATOM 431 CE2 PHE A 28 -1.959 -10.479 -6.572 1.00 0.00 C ATOM 432 CZ PHE A 28 -1.549 -9.488 -5.650 1.00 0.00 C ATOM 0 H PHE A 28 -8.149 -8.897 -6.144 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.359 -11.301 -6.368 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.660 -9.914 -8.168 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.972 -8.434 -7.283 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.439 -7.664 -5.499 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.596 -11.227 -7.780 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.146 -7.721 -4.545 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.268 -11.250 -6.880 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.547 -9.505 -5.247 1.00 0.00 H new ATOM 442 N TYR A 29 -5.990 -10.930 -3.930 1.00 0.00 N ATOM 443 CA TYR A 29 -5.612 -10.678 -2.520 1.00 0.00 C ATOM 444 C TYR A 29 -4.203 -10.091 -2.488 1.00 0.00 C ATOM 445 O TYR A 29 -3.307 -10.544 -3.172 1.00 0.00 O ATOM 446 CB TYR A 29 -5.671 -12.009 -1.750 1.00 0.00 C ATOM 447 CG TYR A 29 -5.039 -11.888 -0.381 1.00 0.00 C ATOM 448 CD1 TYR A 29 -3.653 -12.109 -0.224 1.00 0.00 C ATOM 449 CD2 TYR A 29 -5.844 -11.633 0.751 1.00 0.00 C ATOM 450 CE1 TYR A 29 -3.067 -12.050 1.060 1.00 0.00 C ATOM 451 CE2 TYR A 29 -5.260 -11.577 2.036 1.00 0.00 C ATOM 452 CZ TYR A 29 -3.871 -11.781 2.191 1.00 0.00 C ATOM 453 OH TYR A 29 -3.300 -11.728 3.447 1.00 0.00 O ATOM 0 H TYR A 29 -6.132 -11.909 -4.179 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.296 -9.971 -2.052 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.709 -12.324 -1.646 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.159 -12.783 -2.321 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.040 -12.323 -1.087 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -6.907 -11.481 0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.005 -12.210 1.177 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.876 -11.378 2.901 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.992 -11.532 4.113 1.00 0.00 H new ATOM 463 N THR A 30 -4.028 -9.066 -1.707 1.00 0.00 N ATOM 464 CA THR A 30 -2.699 -8.383 -1.601 1.00 0.00 C ATOM 465 C THR A 30 -1.558 -9.403 -1.528 1.00 0.00 C ATOM 466 O THR A 30 -1.768 -10.575 -1.300 1.00 0.00 O ATOM 467 CB THR A 30 -2.684 -7.526 -0.335 1.00 0.00 C ATOM 468 OG1 THR A 30 -3.130 -8.305 0.766 1.00 0.00 O ATOM 469 CG2 THR A 30 -3.613 -6.326 -0.520 1.00 0.00 C ATOM 0 H THR A 30 -4.760 -8.660 -1.124 1.00 0.00 H new ATOM 0 HA THR A 30 -2.553 -7.765 -2.487 1.00 0.00 H new ATOM 0 HB THR A 30 -1.670 -7.173 -0.146 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.357 -8.618 1.280 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.602 -5.715 0.383 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.272 -5.729 -1.366 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.628 -6.677 -0.709 1.00 0.00 H new ATOM 477 N SER A 31 -0.344 -8.960 -1.717 1.00 0.00 N ATOM 478 CA SER A 31 0.809 -9.901 -1.656 1.00 0.00 C ATOM 479 C SER A 31 0.811 -10.608 -0.300 1.00 0.00 C ATOM 480 O SER A 31 1.301 -11.712 -0.165 1.00 0.00 O ATOM 481 CB SER A 31 2.113 -9.120 -1.828 1.00 0.00 C ATOM 482 OG SER A 31 3.216 -9.994 -1.641 1.00 0.00 O ATOM 0 H SER A 31 -0.102 -7.988 -1.911 1.00 0.00 H new ATOM 0 HA SER A 31 0.722 -10.640 -2.453 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.154 -8.673 -2.821 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.157 -8.302 -1.109 1.00 0.00 H new ATOM 0 HG SER A 31 4.052 -9.495 -1.753 1.00 0.00 H new ATOM 488 N GLY A 32 0.264 -9.982 0.707 1.00 0.00 N ATOM 489 CA GLY A 32 0.230 -10.619 2.053 1.00 0.00 C ATOM 490 C GLY A 32 1.396 -10.102 2.898 1.00 0.00 C ATOM 491 O GLY A 32 2.061 -10.858 3.579 1.00 0.00 O ATOM 0 H GLY A 32 -0.161 -9.056 0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.716 -10.397 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.292 -11.703 1.955 1.00 0.00 H new ATOM 495 N LYS A 33 1.650 -8.821 2.866 1.00 0.00 N ATOM 496 CA LYS A 33 2.773 -8.267 3.674 1.00 0.00 C ATOM 497 C LYS A 33 2.892 -6.760 3.436 1.00 0.00 C ATOM 498 O LYS A 33 3.874 -6.284 2.902 1.00 0.00 O ATOM 499 CB LYS A 33 4.081 -8.949 3.267 1.00 0.00 C ATOM 500 CG LYS A 33 4.239 -8.879 1.747 1.00 0.00 C ATOM 501 CD LYS A 33 5.484 -9.663 1.327 1.00 0.00 C ATOM 502 CE LYS A 33 6.737 -8.846 1.647 1.00 0.00 C ATOM 503 NZ LYS A 33 7.469 -8.546 0.384 1.00 0.00 N ATOM 0 H LYS A 33 1.130 -8.137 2.317 1.00 0.00 H new ATOM 0 HA LYS A 33 2.577 -8.450 4.730 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.925 -8.461 3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.080 -9.988 3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.355 -9.291 1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.325 -7.841 1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.518 -10.619 1.850 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.444 -9.884 0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.461 -7.919 2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.381 -9.400 2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.931 -7.618 0.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.189 -9.278 0.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.799 -8.533 -0.411 1.00 0.00 H new ATOM 517 N CYS A 34 1.906 -6.002 3.833 1.00 0.00 N ATOM 518 CA CYS A 34 1.978 -4.526 3.634 1.00 0.00 C ATOM 519 C CYS A 34 1.034 -3.827 4.617 1.00 0.00 C ATOM 520 O CYS A 34 0.558 -2.736 4.370 1.00 0.00 O ATOM 521 CB CYS A 34 1.590 -4.177 2.196 1.00 0.00 C ATOM 522 SG CYS A 34 -0.023 -4.894 1.797 1.00 0.00 S ATOM 0 H CYS A 34 1.056 -6.339 4.285 1.00 0.00 H new ATOM 0 HA CYS A 34 2.998 -4.187 3.817 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.556 -3.095 2.072 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.345 -4.553 1.506 1.00 0.00 H new ATOM 527 N SER A 35 0.773 -4.444 5.736 1.00 0.00 N ATOM 528 CA SER A 35 -0.124 -3.820 6.750 1.00 0.00 C ATOM 529 C SER A 35 -1.479 -3.474 6.126 1.00 0.00 C ATOM 530 O SER A 35 -2.089 -2.481 6.468 1.00 0.00 O ATOM 531 CB SER A 35 0.526 -2.540 7.281 1.00 0.00 C ATOM 532 OG SER A 35 1.938 -2.683 7.258 1.00 0.00 O ATOM 0 H SER A 35 1.144 -5.359 5.993 1.00 0.00 H new ATOM 0 HA SER A 35 -0.280 -4.528 7.564 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.226 -1.687 6.672 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.186 -2.341 8.297 1.00 0.00 H new ATOM 0 HG SER A 35 2.355 -1.863 7.596 1.00 0.00 H new ATOM 538 N ASN A 36 -1.965 -4.283 5.224 1.00 0.00 N ATOM 539 CA ASN A 36 -3.287 -3.982 4.602 1.00 0.00 C ATOM 540 C ASN A 36 -3.754 -5.171 3.744 1.00 0.00 C ATOM 541 O ASN A 36 -4.005 -5.010 2.566 1.00 0.00 O ATOM 542 CB ASN A 36 -3.162 -2.732 3.728 1.00 0.00 C ATOM 543 CG ASN A 36 -3.755 -1.533 4.472 1.00 0.00 C ATOM 544 OD1 ASN A 36 -4.923 -1.531 4.808 1.00 0.00 O ATOM 545 ND2 ASN A 36 -2.995 -0.510 4.747 1.00 0.00 N ATOM 0 H ASN A 36 -1.509 -5.133 4.893 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.021 -3.808 5.389 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.115 -2.545 3.489 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.683 -2.882 2.782 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.381 0.293 5.244 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.015 -0.512 4.465 1.00 0.00 H new ATOM 552 N PRO A 37 -3.877 -6.335 4.354 1.00 0.00 N ATOM 553 CA PRO A 37 -4.335 -7.535 3.635 1.00 0.00 C ATOM 554 C PRO A 37 -5.780 -7.337 3.168 1.00 0.00 C ATOM 555 O PRO A 37 -6.547 -6.644 3.805 1.00 0.00 O ATOM 556 CB PRO A 37 -4.262 -8.669 4.670 1.00 0.00 C ATOM 557 CG PRO A 37 -3.829 -8.046 6.022 1.00 0.00 C ATOM 558 CD PRO A 37 -3.573 -6.551 5.786 1.00 0.00 C ATOM 0 HA PRO A 37 -3.732 -7.748 2.752 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.230 -9.160 4.768 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.549 -9.430 4.354 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.605 -8.187 6.774 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.929 -8.534 6.397 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.209 -5.936 6.422 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.541 -6.286 6.015 1.00 0.00 H new ATOM 566 N ALA A 38 -6.156 -7.934 2.065 1.00 0.00 N ATOM 567 CA ALA A 38 -7.555 -7.772 1.565 1.00 0.00 C ATOM 568 C ALA A 38 -7.730 -8.537 0.252 1.00 0.00 C ATOM 569 O ALA A 38 -6.953 -9.400 -0.088 1.00 0.00 O ATOM 570 CB ALA A 38 -7.842 -6.286 1.314 1.00 0.00 C ATOM 0 H ALA A 38 -5.556 -8.525 1.490 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.245 -8.164 2.312 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.863 -6.169 0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.723 -5.730 2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.145 -5.901 0.570 1.00 0.00 H new ATOM 576 N VAL A 39 -8.729 -8.186 -0.505 1.00 0.00 N ATOM 577 CA VAL A 39 -8.963 -8.834 -1.816 1.00 0.00 C ATOM 578 C VAL A 39 -9.354 -7.712 -2.722 1.00 0.00 C ATOM 579 O VAL A 39 -10.277 -6.975 -2.426 1.00 0.00 O ATOM 580 CB VAL A 39 -10.102 -9.848 -1.750 1.00 0.00 C ATOM 581 CG1 VAL A 39 -9.595 -11.138 -1.121 1.00 0.00 C ATOM 582 CG2 VAL A 39 -11.253 -9.279 -0.921 1.00 0.00 C ATOM 0 H VAL A 39 -9.405 -7.462 -0.262 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.080 -9.379 -2.151 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.462 -10.057 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -10.407 -11.863 -1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.783 -11.542 -1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.231 -10.933 -0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.064 -10.006 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.903 -9.064 0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.615 -8.360 -1.383 1.00 0.00 H new ATOM 592 N VAL A 40 -8.645 -7.515 -3.779 1.00 0.00 N ATOM 593 CA VAL A 40 -8.983 -6.362 -4.626 1.00 0.00 C ATOM 594 C VAL A 40 -9.720 -6.787 -5.884 1.00 0.00 C ATOM 595 O VAL A 40 -9.157 -7.219 -6.868 1.00 0.00 O ATOM 596 CB VAL A 40 -7.744 -5.494 -4.859 1.00 0.00 C ATOM 597 CG1 VAL A 40 -6.437 -6.205 -4.586 1.00 0.00 C ATOM 598 CG2 VAL A 40 -7.723 -4.855 -6.230 1.00 0.00 C ATOM 0 H VAL A 40 -7.861 -8.089 -4.090 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.696 -5.722 -4.106 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.832 -4.700 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.606 -5.524 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.411 -6.532 -3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.351 -7.072 -5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.821 -4.252 -6.337 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.732 -5.632 -6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.601 -4.219 -6.349 1.00 0.00 H new ATOM 608 N PHE A 41 -11.008 -6.640 -5.823 1.00 0.00 N ATOM 609 CA PHE A 41 -11.863 -7.005 -6.958 1.00 0.00 C ATOM 610 C PHE A 41 -11.466 -6.244 -8.189 1.00 0.00 C ATOM 611 O PHE A 41 -11.610 -5.051 -8.283 1.00 0.00 O ATOM 612 CB PHE A 41 -13.324 -6.693 -6.622 1.00 0.00 C ATOM 613 CG PHE A 41 -13.835 -7.647 -5.569 1.00 0.00 C ATOM 614 CD1 PHE A 41 -13.938 -9.026 -5.850 1.00 0.00 C ATOM 615 CD2 PHE A 41 -14.275 -7.147 -4.323 1.00 0.00 C ATOM 616 CE1 PHE A 41 -14.482 -9.907 -4.889 1.00 0.00 C ATOM 617 CE2 PHE A 41 -14.808 -8.028 -3.357 1.00 0.00 C ATOM 618 CZ PHE A 41 -14.916 -9.407 -3.641 1.00 0.00 C ATOM 0 H PHE A 41 -11.507 -6.273 -5.013 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.744 -8.071 -7.150 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -13.411 -5.667 -6.265 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -13.936 -6.771 -7.521 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -13.600 -9.409 -6.802 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -14.204 -6.091 -4.109 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -14.566 -10.961 -5.108 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -15.133 -7.647 -2.400 1.00 0.00 H new ATOM 0 HZ PHE A 41 -15.330 -10.079 -2.904 1.00 0.00 H new ATOM 628 N VAL A 42 -11.015 -6.962 -9.152 1.00 0.00 N ATOM 629 CA VAL A 42 -10.640 -6.344 -10.445 1.00 0.00 C ATOM 630 C VAL A 42 -11.940 -6.335 -11.274 1.00 0.00 C ATOM 631 O VAL A 42 -12.274 -7.300 -11.932 1.00 0.00 O ATOM 632 CB VAL A 42 -9.539 -7.157 -11.149 1.00 0.00 C ATOM 633 CG1 VAL A 42 -8.253 -6.348 -11.105 1.00 0.00 C ATOM 634 CG2 VAL A 42 -9.266 -8.500 -10.456 1.00 0.00 C ATOM 0 H VAL A 42 -10.884 -7.973 -9.106 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.233 -5.341 -10.315 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.874 -7.359 -12.166 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.456 -6.904 -11.599 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.403 -5.398 -11.617 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.976 -6.161 -10.067 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.481 -9.033 -10.993 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.946 -8.321 -9.429 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.176 -9.100 -10.454 1.00 0.00 H new ATOM 644 N THR A 43 -12.717 -5.284 -11.165 1.00 0.00 N ATOM 645 CA THR A 43 -14.056 -5.240 -11.859 1.00 0.00 C ATOM 646 C THR A 43 -13.950 -5.032 -13.365 1.00 0.00 C ATOM 647 O THR A 43 -12.916 -5.227 -13.970 1.00 0.00 O ATOM 648 CB THR A 43 -14.908 -4.115 -11.258 1.00 0.00 C ATOM 649 OG1 THR A 43 -14.507 -2.871 -11.812 1.00 0.00 O ATOM 650 CG2 THR A 43 -14.725 -4.078 -9.737 1.00 0.00 C ATOM 0 H THR A 43 -12.486 -4.450 -10.625 1.00 0.00 H new ATOM 0 HA THR A 43 -14.521 -6.213 -11.701 1.00 0.00 H new ATOM 0 HB THR A 43 -15.957 -4.298 -11.489 1.00 0.00 H new ATOM 0 HG1 THR A 43 -15.052 -2.152 -11.430 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.333 -3.277 -9.317 1.00 0.00 H new ATOM 0 HG22 THR A 43 -15.036 -5.031 -9.310 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.676 -3.899 -9.501 1.00 0.00 H new ATOM 658 N ARG A 44 -15.056 -4.661 -13.976 1.00 0.00 N ATOM 659 CA ARG A 44 -15.081 -4.454 -15.452 1.00 0.00 C ATOM 660 C ARG A 44 -13.886 -3.601 -15.868 1.00 0.00 C ATOM 661 O ARG A 44 -13.000 -4.064 -16.561 1.00 0.00 O ATOM 662 CB ARG A 44 -16.395 -3.779 -15.881 1.00 0.00 C ATOM 663 CG ARG A 44 -16.800 -2.689 -14.881 1.00 0.00 C ATOM 664 CD ARG A 44 -18.233 -2.938 -14.407 1.00 0.00 C ATOM 665 NE ARG A 44 -18.673 -1.805 -13.543 1.00 0.00 N ATOM 666 CZ ARG A 44 -19.573 -0.963 -13.976 1.00 0.00 C ATOM 667 NH1 ARG A 44 -19.277 -0.127 -14.933 1.00 0.00 N ATOM 668 NH2 ARG A 44 -20.765 -0.954 -13.446 1.00 0.00 N ATOM 0 H ARG A 44 -15.945 -4.493 -13.505 1.00 0.00 H new ATOM 0 HA ARG A 44 -15.020 -5.423 -15.947 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -16.278 -3.343 -16.873 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -17.186 -4.525 -15.952 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -16.119 -2.690 -14.030 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.726 -1.707 -15.348 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -18.899 -3.036 -15.264 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -18.287 -3.875 -13.852 1.00 0.00 H new ATOM 0 HE ARG A 44 -18.271 -1.687 -12.613 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -18.343 -0.131 -15.343 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -19.980 0.531 -15.271 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -20.994 -1.604 -12.694 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -21.468 -0.297 -13.784 1.00 0.00 H new ATOM 682 N LYS A 45 -13.810 -2.377 -15.410 1.00 0.00 N ATOM 683 CA LYS A 45 -12.617 -1.549 -15.747 1.00 0.00 C ATOM 684 C LYS A 45 -11.403 -2.310 -15.213 1.00 0.00 C ATOM 685 O LYS A 45 -10.312 -2.242 -15.744 1.00 0.00 O ATOM 686 CB LYS A 45 -12.717 -0.181 -15.070 1.00 0.00 C ATOM 687 CG LYS A 45 -13.532 0.766 -15.952 1.00 0.00 C ATOM 688 CD LYS A 45 -13.738 2.094 -15.220 1.00 0.00 C ATOM 689 CE LYS A 45 -14.901 2.854 -15.860 1.00 0.00 C ATOM 690 NZ LYS A 45 -14.366 3.946 -16.721 1.00 0.00 N ATOM 0 H LYS A 45 -14.512 -1.922 -14.826 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.541 -1.381 -16.821 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.189 -0.281 -14.092 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.720 0.228 -14.903 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.015 0.935 -16.897 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.496 0.317 -16.192 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.945 1.912 -14.165 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.828 2.693 -15.268 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.511 2.174 -16.454 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.547 3.269 -15.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.156 4.463 -17.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.802 4.600 -16.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.766 3.538 -17.466 1.00 0.00 H new ATOM 704 N ASN A 46 -11.627 -3.068 -14.170 1.00 0.00 N ATOM 705 CA ASN A 46 -10.562 -3.896 -13.565 1.00 0.00 C ATOM 706 C ASN A 46 -9.600 -3.045 -12.788 1.00 0.00 C ATOM 707 O ASN A 46 -8.527 -3.492 -12.429 1.00 0.00 O ATOM 708 CB ASN A 46 -9.816 -4.669 -14.651 1.00 0.00 C ATOM 709 CG ASN A 46 -9.931 -6.173 -14.389 1.00 0.00 C ATOM 710 OD1 ASN A 46 -10.950 -6.645 -13.928 1.00 0.00 O ATOM 711 ND2 ASN A 46 -8.919 -6.949 -14.664 1.00 0.00 N ATOM 0 H ASN A 46 -12.532 -3.143 -13.706 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.028 -4.603 -12.879 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.229 -4.429 -15.630 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.767 -4.372 -14.666 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.984 -7.952 -14.492 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.063 -6.552 -15.051 1.00 0.00 H new ATOM 718 N ARG A 47 -9.989 -1.851 -12.435 1.00 0.00 N ATOM 719 CA ARG A 47 -9.095 -1.041 -11.572 1.00 0.00 C ATOM 720 C ARG A 47 -8.894 -1.913 -10.351 1.00 0.00 C ATOM 721 O ARG A 47 -9.815 -2.581 -9.935 1.00 0.00 O ATOM 722 CB ARG A 47 -9.775 0.262 -11.168 1.00 0.00 C ATOM 723 CG ARG A 47 -9.539 1.327 -12.241 1.00 0.00 C ATOM 724 CD ARG A 47 -10.475 2.512 -11.993 1.00 0.00 C ATOM 725 NE ARG A 47 -10.767 3.198 -13.284 1.00 0.00 N ATOM 726 CZ ARG A 47 -11.685 4.124 -13.337 1.00 0.00 C ATOM 727 NH1 ARG A 47 -12.855 3.915 -12.798 1.00 0.00 N ATOM 728 NH2 ARG A 47 -11.432 5.261 -13.924 1.00 0.00 N ATOM 0 H ARG A 47 -10.870 -1.411 -12.702 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.164 -0.769 -12.070 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.844 0.098 -11.035 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.383 0.605 -10.210 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.501 1.658 -12.219 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.719 0.908 -13.231 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.402 2.166 -11.535 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.016 3.211 -11.294 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.250 2.944 -14.125 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -13.052 3.028 -12.335 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -13.572 4.639 -12.840 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.516 5.427 -14.342 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.150 5.984 -13.965 1.00 0.00 H new ATOM 742 N GLN A 48 -7.731 -1.985 -9.809 1.00 0.00 N ATOM 743 CA GLN A 48 -7.571 -2.893 -8.668 1.00 0.00 C ATOM 744 C GLN A 48 -8.327 -2.296 -7.508 1.00 0.00 C ATOM 745 O GLN A 48 -7.859 -1.418 -6.828 1.00 0.00 O ATOM 746 CB GLN A 48 -6.100 -3.135 -8.384 1.00 0.00 C ATOM 747 CG GLN A 48 -5.727 -4.447 -9.074 1.00 0.00 C ATOM 748 CD GLN A 48 -4.223 -4.698 -8.940 1.00 0.00 C ATOM 749 OE1 GLN A 48 -3.726 -4.905 -7.850 1.00 0.00 O ATOM 750 NE2 GLN A 48 -3.471 -4.684 -10.008 1.00 0.00 N ATOM 0 H GLN A 48 -6.900 -1.468 -10.097 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.985 -3.880 -8.874 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.493 -2.313 -8.763 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.919 -3.197 -7.311 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.283 -5.272 -8.630 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.005 -4.406 -10.127 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.888 -4.510 -10.923 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.467 -4.847 -9.927 1.00 0.00 H new ATOM 759 N VAL A 49 -9.533 -2.752 -7.342 1.00 0.00 N ATOM 760 CA VAL A 49 -10.429 -2.219 -6.289 1.00 0.00 C ATOM 761 C VAL A 49 -10.418 -3.117 -5.053 1.00 0.00 C ATOM 762 O VAL A 49 -10.875 -4.235 -5.084 1.00 0.00 O ATOM 763 CB VAL A 49 -11.862 -2.155 -6.827 1.00 0.00 C ATOM 764 CG1 VAL A 49 -12.539 -0.893 -6.292 1.00 0.00 C ATOM 765 CG2 VAL A 49 -11.891 -2.122 -8.371 1.00 0.00 C ATOM 0 H VAL A 49 -9.944 -3.493 -7.910 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.074 -1.226 -6.012 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.389 -3.050 -6.495 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.560 -0.840 -6.670 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.557 -0.924 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.984 -0.015 -6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -12.924 -2.077 -8.715 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.352 -1.244 -8.726 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.417 -3.022 -8.763 1.00 0.00 H new ATOM 775 N CYS A 50 -9.914 -2.623 -3.961 1.00 0.00 N ATOM 776 CA CYS A 50 -9.881 -3.415 -2.717 1.00 0.00 C ATOM 777 C CYS A 50 -11.296 -3.629 -2.199 1.00 0.00 C ATOM 778 O CYS A 50 -12.220 -2.944 -2.594 1.00 0.00 O ATOM 779 CB CYS A 50 -9.127 -2.626 -1.659 1.00 0.00 C ATOM 780 SG CYS A 50 -8.363 -3.765 -0.495 1.00 0.00 S ATOM 0 H CYS A 50 -9.518 -1.686 -3.882 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.403 -4.374 -2.919 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -8.365 -2.003 -2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -9.808 -1.956 -1.135 1.00 0.00 H new ATOM 785 N ALA A 51 -11.475 -4.550 -1.295 1.00 0.00 N ATOM 786 CA ALA A 51 -12.837 -4.760 -0.741 1.00 0.00 C ATOM 787 C ALA A 51 -12.776 -5.323 0.677 1.00 0.00 C ATOM 788 O ALA A 51 -13.778 -5.739 1.209 1.00 0.00 O ATOM 789 CB ALA A 51 -13.621 -5.709 -1.648 1.00 0.00 C ATOM 0 H ALA A 51 -10.747 -5.158 -0.921 1.00 0.00 H new ATOM 0 HA ALA A 51 -13.342 -3.795 -0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -14.620 -5.861 -1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.699 -5.277 -2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.103 -6.666 -1.707 1.00 0.00 H new ATOM 795 N ASN A 52 -11.626 -5.306 1.308 1.00 0.00 N ATOM 796 CA ASN A 52 -11.516 -5.810 2.713 1.00 0.00 C ATOM 797 C ASN A 52 -11.615 -7.348 2.748 1.00 0.00 C ATOM 798 O ASN A 52 -12.518 -7.907 2.160 1.00 0.00 O ATOM 799 CB ASN A 52 -12.651 -5.221 3.550 1.00 0.00 C ATOM 800 CG ASN A 52 -12.369 -5.453 5.036 1.00 0.00 C ATOM 801 OD1 ASN A 52 -13.033 -6.246 5.675 1.00 0.00 O ATOM 802 ND2 ASN A 52 -11.408 -4.790 5.617 1.00 0.00 N ATOM 0 H ASN A 52 -10.754 -4.962 0.907 1.00 0.00 H new ATOM 0 HA ASN A 52 -10.550 -5.508 3.117 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.747 -4.154 3.350 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.598 -5.684 3.273 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -11.213 -4.937 6.607 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.851 -4.125 5.081 1.00 0.00 H new ATOM 809 N PRO A 53 -10.693 -7.997 3.439 1.00 0.00 N ATOM 810 CA PRO A 53 -10.696 -9.466 3.542 1.00 0.00 C ATOM 811 C PRO A 53 -11.793 -9.952 4.496 1.00 0.00 C ATOM 812 O PRO A 53 -12.385 -10.995 4.294 1.00 0.00 O ATOM 813 CB PRO A 53 -9.329 -9.815 4.144 1.00 0.00 C ATOM 814 CG PRO A 53 -8.696 -8.498 4.653 1.00 0.00 C ATOM 815 CD PRO A 53 -9.577 -7.340 4.156 1.00 0.00 C ATOM 0 HA PRO A 53 -10.878 -9.931 2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.440 -10.528 4.961 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.689 -10.284 3.397 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.638 -8.496 5.741 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.677 -8.393 4.279 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.941 -6.735 4.986 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.020 -6.674 3.497 1.00 0.00 H new ATOM 823 N GLU A 54 -12.040 -9.228 5.558 1.00 0.00 N ATOM 824 CA GLU A 54 -13.065 -9.682 6.544 1.00 0.00 C ATOM 825 C GLU A 54 -14.359 -8.871 6.428 1.00 0.00 C ATOM 826 O GLU A 54 -15.000 -8.580 7.420 1.00 0.00 O ATOM 827 CB GLU A 54 -12.502 -9.522 7.957 1.00 0.00 C ATOM 828 CG GLU A 54 -12.870 -10.748 8.795 1.00 0.00 C ATOM 829 CD GLU A 54 -11.677 -11.145 9.667 1.00 0.00 C ATOM 830 OE1 GLU A 54 -11.360 -10.400 10.580 1.00 0.00 O ATOM 831 OE2 GLU A 54 -11.096 -12.186 9.404 1.00 0.00 O ATOM 0 H GLU A 54 -11.579 -8.347 5.784 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.298 -10.726 6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.419 -9.407 7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.902 -8.619 8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.735 -10.528 9.421 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.150 -11.576 8.144 1.00 0.00 H new ATOM 838 N LYS A 55 -14.772 -8.523 5.240 1.00 0.00 N ATOM 839 CA LYS A 55 -16.048 -7.760 5.106 1.00 0.00 C ATOM 840 C LYS A 55 -17.199 -8.746 4.849 1.00 0.00 C ATOM 841 O LYS A 55 -18.261 -8.367 4.397 1.00 0.00 O ATOM 842 CB LYS A 55 -15.951 -6.762 3.949 1.00 0.00 C ATOM 843 CG LYS A 55 -15.946 -5.335 4.504 1.00 0.00 C ATOM 844 CD LYS A 55 -16.044 -4.337 3.349 1.00 0.00 C ATOM 845 CE LYS A 55 -16.218 -2.924 3.907 1.00 0.00 C ATOM 846 NZ LYS A 55 -17.523 -2.368 3.455 1.00 0.00 N ATOM 0 H LYS A 55 -14.289 -8.730 4.366 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.235 -7.207 6.026 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.043 -6.943 3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.792 -6.896 3.268 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -16.782 -5.197 5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -15.034 -5.159 5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.146 -4.388 2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.886 -4.591 2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.177 -2.944 4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.402 -2.285 3.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -17.641 -1.407 3.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -17.545 -2.335 2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -18.296 -2.973 3.798 1.00 0.00 H new ATOM 860 N LYS A 56 -16.993 -10.006 5.149 1.00 0.00 N ATOM 861 CA LYS A 56 -18.064 -11.027 4.945 1.00 0.00 C ATOM 862 C LYS A 56 -18.418 -11.150 3.455 1.00 0.00 C ATOM 863 O LYS A 56 -17.877 -11.977 2.749 1.00 0.00 O ATOM 864 CB LYS A 56 -19.311 -10.628 5.741 1.00 0.00 C ATOM 865 CG LYS A 56 -19.289 -11.318 7.106 1.00 0.00 C ATOM 866 CD LYS A 56 -20.040 -10.456 8.125 1.00 0.00 C ATOM 867 CE LYS A 56 -19.739 -10.957 9.538 1.00 0.00 C ATOM 868 NZ LYS A 56 -19.281 -9.818 10.383 1.00 0.00 N ATOM 0 H LYS A 56 -16.120 -10.372 5.530 1.00 0.00 H new ATOM 0 HA LYS A 56 -17.698 -11.992 5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -19.342 -9.546 5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -20.210 -10.910 5.194 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -19.751 -12.303 7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -18.260 -11.472 7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -19.740 -9.413 8.026 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -21.112 -10.499 7.933 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -20.630 -11.410 9.972 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -18.972 -11.731 9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -19.076 -10.159 11.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -18.420 -9.405 9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -20.027 -9.094 10.424 1.00 0.00 H new ATOM 882 N TRP A 57 -19.334 -10.346 2.982 1.00 0.00 N ATOM 883 CA TRP A 57 -19.748 -10.415 1.548 1.00 0.00 C ATOM 884 C TRP A 57 -18.527 -10.510 0.622 1.00 0.00 C ATOM 885 O TRP A 57 -18.613 -11.041 -0.469 1.00 0.00 O ATOM 886 CB TRP A 57 -20.573 -9.170 1.218 1.00 0.00 C ATOM 887 CG TRP A 57 -19.730 -7.973 1.380 1.00 0.00 C ATOM 888 CD1 TRP A 57 -19.780 -7.078 2.390 1.00 0.00 C ATOM 889 CD2 TRP A 57 -18.777 -7.483 0.437 1.00 0.00 C ATOM 890 NE1 TRP A 57 -18.866 -6.071 2.129 1.00 0.00 N ATOM 891 CE2 TRP A 57 -18.210 -6.285 0.934 1.00 0.00 C ATOM 892 CE3 TRP A 57 -18.347 -7.980 -0.804 1.00 0.00 C ATOM 893 CZ2 TRP A 57 -17.227 -5.594 0.208 1.00 0.00 C ATOM 894 CZ3 TRP A 57 -17.390 -7.292 -1.550 1.00 0.00 C ATOM 895 CH2 TRP A 57 -16.821 -6.098 -1.048 1.00 0.00 C ATOM 0 H TRP A 57 -19.818 -9.637 3.533 1.00 0.00 H new ATOM 0 HA TRP A 57 -20.347 -11.312 1.390 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -20.949 -9.229 0.197 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -21.441 -9.110 1.875 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -20.424 -7.138 3.255 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -18.699 -5.273 2.742 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -18.761 -8.902 -1.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -16.788 -4.690 0.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -17.083 -7.672 -2.513 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.076 -5.571 -1.625 1.00 0.00 H new ATOM 906 N VAL A 58 -17.396 -10.008 1.033 1.00 0.00 N ATOM 907 CA VAL A 58 -16.190 -10.091 0.145 1.00 0.00 C ATOM 908 C VAL A 58 -15.902 -11.547 -0.209 1.00 0.00 C ATOM 909 O VAL A 58 -15.767 -11.889 -1.360 1.00 0.00 O ATOM 910 CB VAL A 58 -14.946 -9.501 0.821 1.00 0.00 C ATOM 911 CG1 VAL A 58 -14.843 -8.027 0.472 1.00 0.00 C ATOM 912 CG2 VAL A 58 -15.012 -9.675 2.331 1.00 0.00 C ATOM 0 H VAL A 58 -17.249 -9.549 1.932 1.00 0.00 H new ATOM 0 HA VAL A 58 -16.410 -9.514 -0.753 1.00 0.00 H new ATOM 0 HB VAL A 58 -14.064 -10.030 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -13.961 -7.601 0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -14.761 -7.914 -0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -15.733 -7.506 0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -14.118 -9.248 2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.895 -9.165 2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -15.071 -10.736 2.573 1.00 0.00 H new ATOM 922 N ARG A 59 -15.794 -12.404 0.770 1.00 0.00 N ATOM 923 CA ARG A 59 -15.505 -13.834 0.476 1.00 0.00 C ATOM 924 C ARG A 59 -16.680 -14.436 -0.291 1.00 0.00 C ATOM 925 O ARG A 59 -16.516 -15.318 -1.110 1.00 0.00 O ATOM 926 CB ARG A 59 -15.305 -14.596 1.787 1.00 0.00 C ATOM 927 CG ARG A 59 -14.062 -14.064 2.504 1.00 0.00 C ATOM 928 CD ARG A 59 -13.956 -14.706 3.889 1.00 0.00 C ATOM 929 NE ARG A 59 -13.502 -13.686 4.876 1.00 0.00 N ATOM 930 CZ ARG A 59 -12.386 -13.861 5.529 1.00 0.00 C ATOM 931 NH1 ARG A 59 -11.406 -14.524 4.980 1.00 0.00 N ATOM 932 NH2 ARG A 59 -12.250 -13.372 6.733 1.00 0.00 N ATOM 0 H ARG A 59 -15.893 -12.175 1.759 1.00 0.00 H new ATOM 0 HA ARG A 59 -14.599 -13.908 -0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.182 -14.481 2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.194 -15.662 1.587 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.169 -14.286 1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.120 -12.980 2.598 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.922 -15.112 4.188 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.254 -15.540 3.862 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.064 -12.851 5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.512 -14.906 4.040 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.534 -14.661 5.491 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.016 -12.853 7.162 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.378 -13.509 7.243 1.00 0.00 H new ATOM 946 N GLU A 60 -17.867 -13.959 -0.038 1.00 0.00 N ATOM 947 CA GLU A 60 -19.052 -14.498 -0.760 1.00 0.00 C ATOM 948 C GLU A 60 -18.878 -14.241 -2.257 1.00 0.00 C ATOM 949 O GLU A 60 -19.425 -14.940 -3.088 1.00 0.00 O ATOM 950 CB GLU A 60 -20.318 -13.799 -0.261 1.00 0.00 C ATOM 951 CG GLU A 60 -20.988 -14.656 0.814 1.00 0.00 C ATOM 952 CD GLU A 60 -22.336 -15.164 0.300 1.00 0.00 C ATOM 953 OE1 GLU A 60 -22.490 -15.256 -0.907 1.00 0.00 O ATOM 954 OE2 GLU A 60 -23.191 -15.451 1.120 1.00 0.00 O ATOM 0 H GLU A 60 -18.067 -13.220 0.636 1.00 0.00 H new ATOM 0 HA GLU A 60 -19.141 -15.569 -0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -20.068 -12.819 0.145 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -21.006 -13.635 -1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -20.346 -15.498 1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -21.131 -14.071 1.723 1.00 0.00 H new ATOM 961 N TYR A 61 -18.114 -13.242 -2.606 1.00 0.00 N ATOM 962 CA TYR A 61 -17.894 -12.936 -4.048 1.00 0.00 C ATOM 963 C TYR A 61 -16.617 -13.631 -4.523 1.00 0.00 C ATOM 964 O TYR A 61 -16.497 -14.005 -5.673 1.00 0.00 O ATOM 965 CB TYR A 61 -17.759 -11.419 -4.241 1.00 0.00 C ATOM 966 CG TYR A 61 -18.995 -10.686 -3.731 1.00 0.00 C ATOM 967 CD1 TYR A 61 -20.162 -11.396 -3.343 1.00 0.00 C ATOM 968 CD2 TYR A 61 -18.976 -9.275 -3.649 1.00 0.00 C ATOM 969 CE1 TYR A 61 -21.294 -10.695 -2.874 1.00 0.00 C ATOM 970 CE2 TYR A 61 -20.111 -8.576 -3.179 1.00 0.00 C ATOM 971 CZ TYR A 61 -21.268 -9.286 -2.790 1.00 0.00 C ATOM 972 OH TYR A 61 -22.375 -8.601 -2.332 1.00 0.00 O ATOM 0 H TYR A 61 -17.632 -12.624 -1.954 1.00 0.00 H new ATOM 0 HA TYR A 61 -18.743 -13.296 -4.630 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -16.876 -11.060 -3.712 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -17.611 -11.196 -5.298 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -20.184 -12.474 -3.407 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -18.092 -8.730 -3.946 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -22.180 -11.237 -2.579 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -20.093 -7.498 -3.117 1.00 0.00 H new ATOM 0 HH TYR A 61 -22.865 -9.160 -1.694 1.00 0.00 H new ATOM 982 N ILE A 62 -15.662 -13.816 -3.649 1.00 0.00 N ATOM 983 CA ILE A 62 -14.403 -14.497 -4.064 1.00 0.00 C ATOM 984 C ILE A 62 -14.756 -15.913 -4.549 1.00 0.00 C ATOM 985 O ILE A 62 -14.434 -16.297 -5.656 1.00 0.00 O ATOM 986 CB ILE A 62 -13.430 -14.530 -2.861 1.00 0.00 C ATOM 987 CG1 ILE A 62 -12.552 -13.276 -2.893 1.00 0.00 C ATOM 988 CG2 ILE A 62 -12.516 -15.765 -2.906 1.00 0.00 C ATOM 989 CD1 ILE A 62 -13.384 -12.045 -2.537 1.00 0.00 C ATOM 0 H ILE A 62 -15.700 -13.526 -2.672 1.00 0.00 H new ATOM 0 HA ILE A 62 -13.913 -13.963 -4.878 1.00 0.00 H new ATOM 0 HB ILE A 62 -14.025 -14.571 -1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.726 -13.382 -2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.113 -13.154 -3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.847 -15.754 -2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -13.124 -16.669 -2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.928 -15.749 -3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.751 -11.158 -2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -14.195 -11.933 -3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.801 -12.164 -1.537 1.00 0.00 H new ATOM 1001 N ASN A 63 -15.416 -16.684 -3.729 1.00 0.00 N ATOM 1002 CA ASN A 63 -15.789 -18.065 -4.146 1.00 0.00 C ATOM 1003 C ASN A 63 -16.777 -17.995 -5.312 1.00 0.00 C ATOM 1004 O ASN A 63 -16.674 -18.735 -6.271 1.00 0.00 O ATOM 1005 CB ASN A 63 -16.440 -18.795 -2.968 1.00 0.00 C ATOM 1006 CG ASN A 63 -15.514 -18.732 -1.752 1.00 0.00 C ATOM 1007 OD1 ASN A 63 -14.398 -18.262 -1.847 1.00 0.00 O ATOM 1008 ND2 ASN A 63 -15.933 -19.190 -0.604 1.00 0.00 N ATOM 0 H ASN A 63 -15.713 -16.418 -2.790 1.00 0.00 H new ATOM 0 HA ASN A 63 -14.895 -18.605 -4.459 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -17.401 -18.339 -2.730 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -16.637 -19.833 -3.234 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -15.323 -19.153 0.213 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.870 -19.585 -0.524 1.00 0.00 H new ATOM 1015 N SER A 64 -17.734 -17.111 -5.239 1.00 0.00 N ATOM 1016 CA SER A 64 -18.727 -16.991 -6.343 1.00 0.00 C ATOM 1017 C SER A 64 -18.001 -16.669 -7.652 1.00 0.00 C ATOM 1018 O SER A 64 -18.507 -16.912 -8.729 1.00 0.00 O ATOM 1019 CB SER A 64 -19.716 -15.870 -6.020 1.00 0.00 C ATOM 1020 OG SER A 64 -20.690 -16.348 -5.104 1.00 0.00 O ATOM 0 H SER A 64 -17.871 -16.466 -4.461 1.00 0.00 H new ATOM 0 HA SER A 64 -19.266 -17.932 -6.449 1.00 0.00 H new ATOM 0 HB2 SER A 64 -19.188 -15.017 -5.594 1.00 0.00 H new ATOM 0 HB3 SER A 64 -20.199 -15.523 -6.933 1.00 0.00 H new ATOM 0 HG SER A 64 -20.500 -15.994 -4.210 1.00 0.00 H new ATOM 1026 N LEU A 65 -16.818 -16.123 -7.568 1.00 0.00 N ATOM 1027 CA LEU A 65 -16.064 -15.786 -8.809 1.00 0.00 C ATOM 1028 C LEU A 65 -15.325 -17.030 -9.308 1.00 0.00 C ATOM 1029 O LEU A 65 -14.804 -17.807 -8.532 1.00 0.00 O ATOM 1030 CB LEU A 65 -15.052 -14.679 -8.507 1.00 0.00 C ATOM 1031 CG LEU A 65 -15.764 -13.324 -8.507 1.00 0.00 C ATOM 1032 CD1 LEU A 65 -15.059 -12.377 -7.535 1.00 0.00 C ATOM 1033 CD2 LEU A 65 -15.727 -12.728 -9.916 1.00 0.00 C ATOM 0 H LEU A 65 -16.342 -15.896 -6.695 1.00 0.00 H new ATOM 0 HA LEU A 65 -16.759 -15.443 -9.575 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.582 -14.855 -7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -14.257 -14.684 -9.253 1.00 0.00 H new ATOM 0 HG LEU A 65 -16.800 -13.459 -8.196 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -15.566 -11.412 -7.535 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -15.085 -12.801 -6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -14.023 -12.242 -7.845 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -16.234 -11.763 -9.916 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -14.691 -12.594 -10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -16.230 -13.402 -10.610 1.00 0.00 H new ATOM 1045 N GLU A 66 -15.277 -17.227 -10.596 1.00 0.00 N ATOM 1046 CA GLU A 66 -14.574 -18.422 -11.142 1.00 0.00 C ATOM 1047 C GLU A 66 -13.193 -18.011 -11.656 1.00 0.00 C ATOM 1048 O GLU A 66 -13.058 -17.086 -12.433 1.00 0.00 O ATOM 1049 CB GLU A 66 -15.391 -19.014 -12.291 1.00 0.00 C ATOM 1050 CG GLU A 66 -15.892 -20.404 -11.897 1.00 0.00 C ATOM 1051 CD GLU A 66 -16.762 -20.971 -13.020 1.00 0.00 C ATOM 1052 OE1 GLU A 66 -16.202 -21.410 -14.011 1.00 0.00 O ATOM 1053 OE2 GLU A 66 -17.972 -20.957 -12.870 1.00 0.00 O ATOM 0 H GLU A 66 -15.694 -16.612 -11.295 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.461 -19.168 -10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.235 -18.364 -12.524 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.780 -19.078 -13.191 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.047 -21.066 -11.708 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.466 -20.347 -10.972 1.00 0.00 H new ATOM 1060 N MET A 67 -12.165 -18.691 -11.228 1.00 0.00 N ATOM 1061 CA MET A 67 -10.793 -18.341 -11.693 1.00 0.00 C ATOM 1062 C MET A 67 -10.733 -18.434 -13.220 1.00 0.00 C ATOM 1063 O MET A 67 -10.622 -19.506 -13.781 1.00 0.00 O ATOM 1064 CB MET A 67 -9.784 -19.315 -11.083 1.00 0.00 C ATOM 1065 CG MET A 67 -8.377 -18.722 -11.186 1.00 0.00 C ATOM 1066 SD MET A 67 -8.219 -17.335 -10.034 1.00 0.00 S ATOM 1067 CE MET A 67 -6.481 -16.958 -10.369 1.00 0.00 C ATOM 0 H MET A 67 -12.216 -19.474 -10.576 1.00 0.00 H new ATOM 0 HA MET A 67 -10.551 -17.325 -11.381 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.034 -19.508 -10.040 1.00 0.00 H new ATOM 0 HB3 MET A 67 -9.826 -20.272 -11.603 1.00 0.00 H new ATOM 0 HG2 MET A 67 -7.632 -19.484 -10.958 1.00 0.00 H new ATOM 0 HG3 MET A 67 -8.187 -18.385 -12.205 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.166 -16.116 -9.753 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.868 -17.828 -10.134 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.360 -16.703 -11.422 1.00 0.00 H new ATOM 1077 N SER A 68 -10.806 -17.319 -13.895 1.00 0.00 N ATOM 1078 CA SER A 68 -10.754 -17.346 -15.383 1.00 0.00 C ATOM 1079 C SER A 68 -9.294 -17.320 -15.843 1.00 0.00 C ATOM 1080 O SER A 68 -9.050 -17.633 -16.996 1.00 0.00 O ATOM 1081 CB SER A 68 -11.486 -16.124 -15.942 1.00 0.00 C ATOM 1082 OG SER A 68 -12.731 -16.529 -16.491 1.00 0.00 O ATOM 1083 OXT SER A 68 -8.445 -16.988 -15.032 1.00 0.00 O ATOM 0 H SER A 68 -10.899 -16.392 -13.480 1.00 0.00 H new ATOM 0 HA SER A 68 -11.234 -18.255 -15.746 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.646 -15.390 -15.152 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.878 -15.641 -16.708 1.00 0.00 H new ATOM 0 HG SER A 68 -13.201 -15.747 -16.848 1.00 0.00 H new TER 1089 SER A 68 ATOM 1090 N SER B 1 -7.118 10.855 -10.633 1.00 0.00 N ATOM 1091 CA SER B 1 -7.362 9.461 -10.170 1.00 0.00 C ATOM 1092 C SER B 1 -7.544 9.454 -8.644 1.00 0.00 C ATOM 1093 O SER B 1 -6.608 9.171 -7.921 1.00 0.00 O ATOM 1094 CB SER B 1 -6.169 8.580 -10.546 1.00 0.00 C ATOM 1095 OG SER B 1 -6.096 8.462 -11.959 1.00 0.00 O ATOM 0 H1 SER B 1 -7.486 10.969 -11.599 1.00 0.00 H new ATOM 0 H2 SER B 1 -7.601 11.521 -9.997 1.00 0.00 H new ATOM 0 H3 SER B 1 -6.096 11.049 -10.627 1.00 0.00 H new ATOM 0 HA SER B 1 -8.262 9.073 -10.646 1.00 0.00 H new ATOM 0 HB2 SER B 1 -5.247 9.013 -10.158 1.00 0.00 H new ATOM 0 HB3 SER B 1 -6.274 7.594 -10.093 1.00 0.00 H new ATOM 0 HG SER B 1 -5.331 7.899 -12.201 1.00 0.00 H new ATOM 1101 N PRO B 2 -8.742 9.762 -8.192 1.00 0.00 N ATOM 1102 CA PRO B 2 -9.040 9.789 -6.749 1.00 0.00 C ATOM 1103 C PRO B 2 -8.774 8.418 -6.128 1.00 0.00 C ATOM 1104 O PRO B 2 -9.373 7.428 -6.503 1.00 0.00 O ATOM 1105 CB PRO B 2 -10.534 10.140 -6.662 1.00 0.00 C ATOM 1106 CG PRO B 2 -11.055 10.352 -8.106 1.00 0.00 C ATOM 1107 CD PRO B 2 -9.883 10.103 -9.067 1.00 0.00 C ATOM 0 HA PRO B 2 -8.419 10.505 -6.211 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -11.087 9.339 -6.170 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -10.681 11.041 -6.067 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -11.877 9.669 -8.320 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -11.442 11.364 -8.228 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -10.106 9.292 -9.760 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -9.670 10.987 -9.668 1.00 0.00 H new ATOM 1115 N TYR B 3 -7.874 8.347 -5.185 1.00 0.00 N ATOM 1116 CA TYR B 3 -7.565 7.037 -4.546 1.00 0.00 C ATOM 1117 C TYR B 3 -8.501 6.804 -3.359 1.00 0.00 C ATOM 1118 O TYR B 3 -8.396 7.449 -2.334 1.00 0.00 O ATOM 1119 CB TYR B 3 -6.115 7.041 -4.057 1.00 0.00 C ATOM 1120 CG TYR B 3 -5.183 7.099 -5.243 1.00 0.00 C ATOM 1121 CD1 TYR B 3 -5.305 6.151 -6.283 1.00 0.00 C ATOM 1122 CD2 TYR B 3 -4.192 8.102 -5.314 1.00 0.00 C ATOM 1123 CE1 TYR B 3 -4.435 6.205 -7.394 1.00 0.00 C ATOM 1124 CE2 TYR B 3 -3.319 8.156 -6.426 1.00 0.00 C ATOM 1125 CZ TYR B 3 -3.442 7.209 -7.466 1.00 0.00 C ATOM 1126 OH TYR B 3 -2.592 7.262 -8.552 1.00 0.00 O ATOM 0 H TYR B 3 -7.340 9.140 -4.830 1.00 0.00 H new ATOM 0 HA TYR B 3 -7.705 6.239 -5.275 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -5.943 7.896 -3.404 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -5.916 6.145 -3.468 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -6.064 5.385 -6.228 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -4.100 8.828 -4.520 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -4.528 5.480 -8.189 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -2.559 8.921 -6.479 1.00 0.00 H new ATOM 0 HH TYR B 3 -1.971 8.012 -8.445 1.00 0.00 H new ATOM 1136 N SER B 4 -9.411 5.878 -3.485 1.00 0.00 N ATOM 1137 CA SER B 4 -10.350 5.592 -2.364 1.00 0.00 C ATOM 1138 C SER B 4 -10.189 4.131 -1.939 1.00 0.00 C ATOM 1139 O SER B 4 -9.574 3.829 -0.937 1.00 0.00 O ATOM 1140 CB SER B 4 -11.789 5.833 -2.826 1.00 0.00 C ATOM 1141 OG SER B 4 -12.197 7.137 -2.439 1.00 0.00 O ATOM 0 H SER B 4 -9.545 5.305 -4.318 1.00 0.00 H new ATOM 0 HA SER B 4 -10.128 6.248 -1.522 1.00 0.00 H new ATOM 0 HB2 SER B 4 -11.858 5.725 -3.908 1.00 0.00 H new ATOM 0 HB3 SER B 4 -12.453 5.087 -2.388 1.00 0.00 H new ATOM 0 HG SER B 4 -13.118 7.293 -2.736 1.00 0.00 H new ATOM 1147 N SER B 5 -10.731 3.223 -2.703 1.00 0.00 N ATOM 1148 CA SER B 5 -10.604 1.779 -2.355 1.00 0.00 C ATOM 1149 C SER B 5 -10.036 1.028 -3.560 1.00 0.00 C ATOM 1150 O SER B 5 -10.762 0.439 -4.335 1.00 0.00 O ATOM 1151 CB SER B 5 -11.980 1.214 -1.999 1.00 0.00 C ATOM 1152 OG SER B 5 -12.968 1.821 -2.819 1.00 0.00 O ATOM 0 H SER B 5 -11.257 3.419 -3.555 1.00 0.00 H new ATOM 0 HA SER B 5 -9.939 1.662 -1.500 1.00 0.00 H new ATOM 0 HB2 SER B 5 -11.989 0.133 -2.140 1.00 0.00 H new ATOM 0 HB3 SER B 5 -12.200 1.400 -0.948 1.00 0.00 H new ATOM 0 HG SER B 5 -12.744 1.677 -3.762 1.00 0.00 H new ATOM 1158 N ASP B 6 -8.743 1.055 -3.731 1.00 0.00 N ATOM 1159 CA ASP B 6 -8.128 0.355 -4.894 1.00 0.00 C ATOM 1160 C ASP B 6 -6.700 -0.057 -4.554 1.00 0.00 C ATOM 1161 O ASP B 6 -6.352 -0.232 -3.403 1.00 0.00 O ATOM 1162 CB ASP B 6 -8.137 1.295 -6.106 1.00 0.00 C ATOM 1163 CG ASP B 6 -7.225 2.495 -5.840 1.00 0.00 C ATOM 1164 OD1 ASP B 6 -7.530 3.257 -4.937 1.00 0.00 O ATOM 1165 OD2 ASP B 6 -6.238 2.632 -6.545 1.00 0.00 O ATOM 0 H ASP B 6 -8.085 1.532 -3.115 1.00 0.00 H new ATOM 0 HA ASP B 6 -8.700 -0.542 -5.130 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -7.800 0.761 -6.994 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -9.153 1.636 -6.305 1.00 0.00 H new ATOM 1170 N THR B 7 -5.874 -0.235 -5.544 1.00 0.00 N ATOM 1171 CA THR B 7 -4.482 -0.658 -5.267 1.00 0.00 C ATOM 1172 C THR B 7 -3.648 0.550 -4.836 1.00 0.00 C ATOM 1173 O THR B 7 -4.097 1.677 -4.883 1.00 0.00 O ATOM 1174 CB THR B 7 -3.878 -1.275 -6.531 1.00 0.00 C ATOM 1175 OG1 THR B 7 -2.490 -1.502 -6.333 1.00 0.00 O ATOM 1176 CG2 THR B 7 -4.075 -0.318 -7.707 1.00 0.00 C ATOM 0 H THR B 7 -6.104 -0.106 -6.529 1.00 0.00 H new ATOM 0 HA THR B 7 -4.482 -1.396 -4.465 1.00 0.00 H new ATOM 0 HB THR B 7 -4.373 -2.222 -6.745 1.00 0.00 H new ATOM 0 HG1 THR B 7 -2.105 -1.899 -7.142 1.00 0.00 H new ATOM 0 HG21 THR B 7 -3.645 -0.756 -8.608 1.00 0.00 H new ATOM 0 HG22 THR B 7 -5.140 -0.144 -7.860 1.00 0.00 H new ATOM 0 HG23 THR B 7 -3.580 0.629 -7.492 1.00 0.00 H new ATOM 1184 N THR B 8 -2.436 0.317 -4.415 1.00 0.00 N ATOM 1185 CA THR B 8 -1.566 1.443 -3.980 1.00 0.00 C ATOM 1186 C THR B 8 -0.102 1.091 -4.287 1.00 0.00 C ATOM 1187 O THR B 8 0.506 0.323 -3.567 1.00 0.00 O ATOM 1188 CB THR B 8 -1.735 1.666 -2.476 1.00 0.00 C ATOM 1189 OG1 THR B 8 -3.112 1.582 -2.138 1.00 0.00 O ATOM 1190 CG2 THR B 8 -1.203 3.050 -2.101 1.00 0.00 C ATOM 0 H THR B 8 -2.010 -0.608 -4.354 1.00 0.00 H new ATOM 0 HA THR B 8 -1.845 2.353 -4.512 1.00 0.00 H new ATOM 0 HB THR B 8 -1.178 0.903 -1.931 1.00 0.00 H new ATOM 0 HG1 THR B 8 -3.520 2.471 -2.203 1.00 0.00 H new ATOM 0 HG21 THR B 8 -1.324 3.208 -1.029 1.00 0.00 H new ATOM 0 HG22 THR B 8 -0.146 3.116 -2.361 1.00 0.00 H new ATOM 0 HG23 THR B 8 -1.759 3.813 -2.645 1.00 0.00 H new ATOM 1198 N PRO B 9 0.427 1.658 -5.350 1.00 0.00 N ATOM 1199 CA PRO B 9 1.819 1.401 -5.755 1.00 0.00 C ATOM 1200 C PRO B 9 2.775 1.789 -4.627 1.00 0.00 C ATOM 1201 O PRO B 9 3.083 2.947 -4.428 1.00 0.00 O ATOM 1202 CB PRO B 9 2.039 2.294 -6.986 1.00 0.00 C ATOM 1203 CG PRO B 9 0.708 3.040 -7.269 1.00 0.00 C ATOM 1204 CD PRO B 9 -0.309 2.593 -6.226 1.00 0.00 C ATOM 0 HA PRO B 9 2.003 0.350 -5.976 1.00 0.00 H new ATOM 0 HB2 PRO B 9 2.845 3.005 -6.804 1.00 0.00 H new ATOM 0 HB3 PRO B 9 2.332 1.693 -7.847 1.00 0.00 H new ATOM 0 HG2 PRO B 9 0.857 4.119 -7.219 1.00 0.00 H new ATOM 0 HG3 PRO B 9 0.350 2.814 -8.273 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -0.695 3.442 -5.662 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -1.165 2.106 -6.693 1.00 0.00 H new ATOM 1212 N CYS B 10 3.243 0.825 -3.884 1.00 0.00 N ATOM 1213 CA CYS B 10 4.176 1.129 -2.765 1.00 0.00 C ATOM 1214 C CYS B 10 5.342 0.157 -2.790 1.00 0.00 C ATOM 1215 O CYS B 10 5.434 -0.706 -3.639 1.00 0.00 O ATOM 1216 CB CYS B 10 3.437 0.990 -1.433 1.00 0.00 C ATOM 1217 SG CYS B 10 2.939 2.622 -0.831 1.00 0.00 S ATOM 0 H CYS B 10 3.018 -0.163 -4.004 1.00 0.00 H new ATOM 0 HA CYS B 10 4.548 2.147 -2.877 1.00 0.00 H new ATOM 0 HB2 CYS B 10 2.559 0.356 -1.559 1.00 0.00 H new ATOM 0 HB3 CYS B 10 4.080 0.503 -0.700 1.00 0.00 H new ATOM 1222 N CYS B 11 6.236 0.291 -1.860 1.00 0.00 N ATOM 1223 CA CYS B 11 7.398 -0.620 -1.818 1.00 0.00 C ATOM 1224 C CYS B 11 7.362 -1.386 -0.482 1.00 0.00 C ATOM 1225 O CYS B 11 6.728 -0.962 0.465 1.00 0.00 O ATOM 1226 CB CYS B 11 8.689 0.216 -2.015 1.00 0.00 C ATOM 1227 SG CYS B 11 9.916 -0.036 -0.704 1.00 0.00 S ATOM 0 H CYS B 11 6.210 0.997 -1.124 1.00 0.00 H new ATOM 0 HA CYS B 11 7.373 -1.360 -2.618 1.00 0.00 H new ATOM 0 HB2 CYS B 11 9.136 -0.040 -2.975 1.00 0.00 H new ATOM 0 HB3 CYS B 11 8.426 1.273 -2.058 1.00 0.00 H new ATOM 1232 N PHE B 12 8.035 -2.501 -0.394 1.00 0.00 N ATOM 1233 CA PHE B 12 8.031 -3.269 0.883 1.00 0.00 C ATOM 1234 C PHE B 12 9.408 -3.170 1.538 1.00 0.00 C ATOM 1235 O PHE B 12 9.581 -2.516 2.548 1.00 0.00 O ATOM 1236 CB PHE B 12 7.705 -4.736 0.605 1.00 0.00 C ATOM 1237 CG PHE B 12 7.634 -5.489 1.912 1.00 0.00 C ATOM 1238 CD1 PHE B 12 6.429 -5.506 2.651 1.00 0.00 C ATOM 1239 CD2 PHE B 12 8.773 -6.165 2.403 1.00 0.00 C ATOM 1240 CE1 PHE B 12 6.365 -6.200 3.880 1.00 0.00 C ATOM 1241 CE2 PHE B 12 8.709 -6.859 3.631 1.00 0.00 C ATOM 1242 CZ PHE B 12 7.504 -6.877 4.370 1.00 0.00 C ATOM 0 H PHE B 12 8.585 -2.912 -1.148 1.00 0.00 H new ATOM 0 HA PHE B 12 7.276 -2.854 1.550 1.00 0.00 H new ATOM 0 HB2 PHE B 12 6.756 -4.815 0.075 1.00 0.00 H new ATOM 0 HB3 PHE B 12 8.468 -5.174 -0.039 1.00 0.00 H new ATOM 0 HD1 PHE B 12 5.558 -4.989 2.276 1.00 0.00 H new ATOM 0 HD2 PHE B 12 9.694 -6.151 1.839 1.00 0.00 H new ATOM 0 HE1 PHE B 12 5.445 -6.213 4.445 1.00 0.00 H new ATOM 0 HE2 PHE B 12 9.580 -7.376 4.006 1.00 0.00 H new ATOM 0 HZ PHE B 12 7.454 -7.408 5.309 1.00 0.00 H new ATOM 1252 N ALA B 13 10.391 -3.813 0.971 1.00 0.00 N ATOM 1253 CA ALA B 13 11.758 -3.754 1.558 1.00 0.00 C ATOM 1254 C ALA B 13 12.650 -2.898 0.672 1.00 0.00 C ATOM 1255 O ALA B 13 12.458 -2.814 -0.525 1.00 0.00 O ATOM 1256 CB ALA B 13 12.336 -5.167 1.664 1.00 0.00 C ATOM 0 H ALA B 13 10.306 -4.377 0.126 1.00 0.00 H new ATOM 0 HA ALA B 13 11.707 -3.315 2.554 1.00 0.00 H new ATOM 0 HB1 ALA B 13 13.336 -5.120 2.094 1.00 0.00 H new ATOM 0 HB2 ALA B 13 11.695 -5.775 2.302 1.00 0.00 H new ATOM 0 HB3 ALA B 13 12.389 -5.614 0.671 1.00 0.00 H new ATOM 1262 N TYR B 14 13.617 -2.248 1.250 1.00 0.00 N ATOM 1263 CA TYR B 14 14.508 -1.384 0.434 1.00 0.00 C ATOM 1264 C TYR B 14 15.725 -2.191 -0.018 1.00 0.00 C ATOM 1265 O TYR B 14 16.207 -3.055 0.686 1.00 0.00 O ATOM 1266 CB TYR B 14 14.977 -0.166 1.245 1.00 0.00 C ATOM 1267 CG TYR B 14 13.903 0.261 2.223 1.00 0.00 C ATOM 1268 CD1 TYR B 14 12.800 1.021 1.775 1.00 0.00 C ATOM 1269 CD2 TYR B 14 13.998 -0.114 3.581 1.00 0.00 C ATOM 1270 CE1 TYR B 14 11.791 1.407 2.688 1.00 0.00 C ATOM 1271 CE2 TYR B 14 12.991 0.273 4.494 1.00 0.00 C ATOM 1272 CZ TYR B 14 11.888 1.034 4.047 1.00 0.00 C ATOM 1273 OH TYR B 14 10.904 1.413 4.938 1.00 0.00 O ATOM 0 H TYR B 14 13.828 -2.277 2.247 1.00 0.00 H new ATOM 0 HA TYR B 14 13.951 -1.032 -0.434 1.00 0.00 H new ATOM 0 HB2 TYR B 14 15.892 -0.410 1.784 1.00 0.00 H new ATOM 0 HB3 TYR B 14 15.214 0.658 0.572 1.00 0.00 H new ATOM 0 HD1 TYR B 14 12.727 1.307 0.736 1.00 0.00 H new ATOM 0 HD2 TYR B 14 14.841 -0.697 3.922 1.00 0.00 H new ATOM 0 HE1 TYR B 14 10.946 1.987 2.346 1.00 0.00 H new ATOM 0 HE2 TYR B 14 13.065 -0.013 5.533 1.00 0.00 H new ATOM 0 HH TYR B 14 10.107 0.859 4.800 1.00 0.00 H new ATOM 1283 N ILE B 15 16.230 -1.913 -1.189 1.00 0.00 N ATOM 1284 CA ILE B 15 17.418 -2.662 -1.683 1.00 0.00 C ATOM 1285 C ILE B 15 18.598 -2.409 -0.744 1.00 0.00 C ATOM 1286 O ILE B 15 18.860 -1.290 -0.349 1.00 0.00 O ATOM 1287 CB ILE B 15 17.774 -2.183 -3.093 1.00 0.00 C ATOM 1288 CG1 ILE B 15 18.988 -2.960 -3.604 1.00 0.00 C ATOM 1289 CG2 ILE B 15 18.102 -0.690 -3.057 1.00 0.00 C ATOM 1290 CD1 ILE B 15 18.540 -3.960 -4.671 1.00 0.00 C ATOM 0 H ILE B 15 15.871 -1.200 -1.824 1.00 0.00 H new ATOM 0 HA ILE B 15 17.194 -3.728 -1.710 1.00 0.00 H new ATOM 0 HB ILE B 15 16.928 -2.353 -3.759 1.00 0.00 H new ATOM 0 HG12 ILE B 15 19.724 -2.273 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE B 15 19.472 -3.484 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE B 15 18.355 -0.349 -4.061 1.00 0.00 H new ATOM 0 HG22 ILE B 15 17.237 -0.136 -2.693 1.00 0.00 H new ATOM 0 HG23 ILE B 15 18.948 -0.519 -2.391 1.00 0.00 H new ATOM 0 HD11 ILE B 15 19.405 -4.514 -5.036 1.00 0.00 H new ATOM 0 HD12 ILE B 15 17.819 -4.655 -4.239 1.00 0.00 H new ATOM 0 HD13 ILE B 15 18.076 -3.425 -5.499 1.00 0.00 H new ATOM 1302 N ALA B 16 19.312 -3.439 -0.383 1.00 0.00 N ATOM 1303 CA ALA B 16 20.473 -3.256 0.531 1.00 0.00 C ATOM 1304 C ALA B 16 21.724 -2.950 -0.295 1.00 0.00 C ATOM 1305 O ALA B 16 22.679 -3.703 -0.297 1.00 0.00 O ATOM 1306 CB ALA B 16 20.690 -4.535 1.339 1.00 0.00 C ATOM 0 H ALA B 16 19.141 -4.399 -0.682 1.00 0.00 H new ATOM 0 HA ALA B 16 20.277 -2.428 1.212 1.00 0.00 H new ATOM 0 HB1 ALA B 16 21.540 -4.403 2.009 1.00 0.00 H new ATOM 0 HB2 ALA B 16 19.797 -4.751 1.925 1.00 0.00 H new ATOM 0 HB3 ALA B 16 20.889 -5.365 0.661 1.00 0.00 H new ATOM 1312 N ARG B 17 21.727 -1.850 -0.997 1.00 0.00 N ATOM 1313 CA ARG B 17 22.912 -1.490 -1.825 1.00 0.00 C ATOM 1314 C ARG B 17 22.576 -0.245 -2.666 1.00 0.00 C ATOM 1315 O ARG B 17 21.610 -0.260 -3.403 1.00 0.00 O ATOM 1316 CB ARG B 17 23.254 -2.654 -2.758 1.00 0.00 C ATOM 1317 CG ARG B 17 24.696 -3.102 -2.514 1.00 0.00 C ATOM 1318 CD ARG B 17 25.600 -2.530 -3.607 1.00 0.00 C ATOM 1319 NE ARG B 17 26.771 -3.429 -3.805 1.00 0.00 N ATOM 1320 CZ ARG B 17 27.369 -3.476 -4.965 1.00 0.00 C ATOM 1321 NH1 ARG B 17 26.761 -4.009 -5.990 1.00 0.00 N ATOM 1322 NH2 ARG B 17 28.573 -2.993 -5.099 1.00 0.00 N ATOM 0 H ARG B 17 20.956 -1.183 -1.033 1.00 0.00 H new ATOM 0 HA ARG B 17 23.764 -1.281 -1.178 1.00 0.00 H new ATOM 0 HB2 ARG B 17 22.570 -3.485 -2.585 1.00 0.00 H new ATOM 0 HB3 ARG B 17 23.128 -2.349 -3.797 1.00 0.00 H new ATOM 0 HG2 ARG B 17 25.033 -2.763 -1.534 1.00 0.00 H new ATOM 0 HG3 ARG B 17 24.754 -4.190 -2.512 1.00 0.00 H new ATOM 0 HD2 ARG B 17 25.043 -2.430 -4.539 1.00 0.00 H new ATOM 0 HD3 ARG B 17 25.938 -1.532 -3.329 1.00 0.00 H new ATOM 0 HE ARG B 17 27.106 -4.008 -3.035 1.00 0.00 H new ATOM 0 HH11 ARG B 17 25.820 -4.388 -5.884 1.00 0.00 H new ATOM 0 HH12 ARG B 17 27.227 -4.046 -6.897 1.00 0.00 H new ATOM 0 HH21 ARG B 17 29.048 -2.578 -4.297 1.00 0.00 H new ATOM 0 HH22 ARG B 17 29.039 -3.030 -6.005 1.00 0.00 H new ATOM 1336 N PRO B 18 23.369 0.803 -2.546 1.00 0.00 N ATOM 1337 CA PRO B 18 23.127 2.040 -3.309 1.00 0.00 C ATOM 1338 C PRO B 18 23.104 1.751 -4.810 1.00 0.00 C ATOM 1339 O PRO B 18 24.130 1.661 -5.453 1.00 0.00 O ATOM 1340 CB PRO B 18 24.298 2.964 -2.951 1.00 0.00 C ATOM 1341 CG PRO B 18 25.204 2.212 -1.944 1.00 0.00 C ATOM 1342 CD PRO B 18 24.552 0.852 -1.660 1.00 0.00 C ATOM 0 HA PRO B 18 22.164 2.490 -3.066 1.00 0.00 H new ATOM 0 HB2 PRO B 18 24.861 3.231 -3.845 1.00 0.00 H new ATOM 0 HB3 PRO B 18 23.932 3.893 -2.515 1.00 0.00 H new ATOM 0 HG2 PRO B 18 26.205 2.079 -2.355 1.00 0.00 H new ATOM 0 HG3 PRO B 18 25.311 2.785 -1.023 1.00 0.00 H new ATOM 0 HD2 PRO B 18 25.239 0.033 -1.873 1.00 0.00 H new ATOM 0 HD3 PRO B 18 24.265 0.763 -0.612 1.00 0.00 H new ATOM 1350 N LEU B 19 21.933 1.613 -5.371 1.00 0.00 N ATOM 1351 CA LEU B 19 21.834 1.339 -6.830 1.00 0.00 C ATOM 1352 C LEU B 19 22.558 2.457 -7.599 1.00 0.00 C ATOM 1353 O LEU B 19 22.175 3.604 -7.488 1.00 0.00 O ATOM 1354 CB LEU B 19 20.361 1.328 -7.250 1.00 0.00 C ATOM 1355 CG LEU B 19 19.564 0.349 -6.385 1.00 0.00 C ATOM 1356 CD1 LEU B 19 18.132 0.254 -6.914 1.00 0.00 C ATOM 1357 CD2 LEU B 19 20.213 -1.036 -6.431 1.00 0.00 C ATOM 0 H LEU B 19 21.041 1.679 -4.880 1.00 0.00 H new ATOM 0 HA LEU B 19 22.288 0.373 -7.051 1.00 0.00 H new ATOM 0 HB2 LEU B 19 19.942 2.330 -7.155 1.00 0.00 H new ATOM 0 HB3 LEU B 19 20.278 1.046 -8.300 1.00 0.00 H new ATOM 0 HG LEU B 19 19.554 0.707 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU B 19 17.562 -0.443 -6.299 1.00 0.00 H new ATOM 0 HD12 LEU B 19 17.664 1.238 -6.876 1.00 0.00 H new ATOM 0 HD13 LEU B 19 18.148 -0.101 -7.945 1.00 0.00 H new ATOM 0 HD21 LEU B 19 19.640 -1.727 -5.813 1.00 0.00 H new ATOM 0 HD22 LEU B 19 20.229 -1.397 -7.460 1.00 0.00 H new ATOM 0 HD23 LEU B 19 21.234 -0.972 -6.053 1.00 0.00 H new ATOM 1369 N PRO B 20 23.576 2.114 -8.362 1.00 0.00 N ATOM 1370 CA PRO B 20 24.316 3.124 -9.133 1.00 0.00 C ATOM 1371 C PRO B 20 23.354 3.892 -10.040 1.00 0.00 C ATOM 1372 O PRO B 20 22.645 3.314 -10.840 1.00 0.00 O ATOM 1373 CB PRO B 20 25.331 2.323 -9.962 1.00 0.00 C ATOM 1374 CG PRO B 20 25.200 0.834 -9.553 1.00 0.00 C ATOM 1375 CD PRO B 20 24.064 0.730 -8.525 1.00 0.00 C ATOM 0 HA PRO B 20 24.808 3.861 -8.498 1.00 0.00 H new ATOM 0 HB2 PRO B 20 25.137 2.446 -11.028 1.00 0.00 H new ATOM 0 HB3 PRO B 20 26.344 2.683 -9.779 1.00 0.00 H new ATOM 0 HG2 PRO B 20 24.985 0.216 -10.424 1.00 0.00 H new ATOM 0 HG3 PRO B 20 26.135 0.471 -9.127 1.00 0.00 H new ATOM 0 HD2 PRO B 20 23.271 0.070 -8.877 1.00 0.00 H new ATOM 0 HD3 PRO B 20 24.422 0.323 -7.579 1.00 0.00 H new ATOM 1383 N ARG B 21 23.316 5.191 -9.915 1.00 0.00 N ATOM 1384 CA ARG B 21 22.392 6.001 -10.763 1.00 0.00 C ATOM 1385 C ARG B 21 22.574 5.628 -12.236 1.00 0.00 C ATOM 1386 O ARG B 21 21.685 5.804 -13.045 1.00 0.00 O ATOM 1387 CB ARG B 21 22.698 7.487 -10.572 1.00 0.00 C ATOM 1388 CG ARG B 21 21.543 8.321 -11.131 1.00 0.00 C ATOM 1389 CD ARG B 21 21.823 8.662 -12.596 1.00 0.00 C ATOM 1390 NE ARG B 21 21.956 10.138 -12.748 1.00 0.00 N ATOM 1391 CZ ARG B 21 21.586 10.716 -13.859 1.00 0.00 C ATOM 1392 NH1 ARG B 21 20.614 10.208 -14.566 1.00 0.00 N ATOM 1393 NH2 ARG B 21 22.187 11.802 -14.261 1.00 0.00 N ATOM 0 H ARG B 21 23.886 5.728 -9.261 1.00 0.00 H new ATOM 0 HA ARG B 21 21.363 5.797 -10.467 1.00 0.00 H new ATOM 0 HB2 ARG B 21 22.841 7.707 -9.514 1.00 0.00 H new ATOM 0 HB3 ARG B 21 23.627 7.746 -11.080 1.00 0.00 H new ATOM 0 HG2 ARG B 21 20.607 7.768 -11.048 1.00 0.00 H new ATOM 0 HG3 ARG B 21 21.426 9.235 -10.550 1.00 0.00 H new ATOM 0 HD2 ARG B 21 22.737 8.168 -12.927 1.00 0.00 H new ATOM 0 HD3 ARG B 21 21.015 8.292 -13.227 1.00 0.00 H new ATOM 0 HE ARG B 21 22.336 10.697 -11.984 1.00 0.00 H new ATOM 0 HH11 ARG B 21 20.143 9.360 -14.251 1.00 0.00 H new ATOM 0 HH12 ARG B 21 20.325 10.659 -15.434 1.00 0.00 H new ATOM 0 HH21 ARG B 21 22.946 12.200 -13.707 1.00 0.00 H new ATOM 0 HH22 ARG B 21 21.898 12.253 -15.129 1.00 0.00 H new ATOM 1407 N ALA B 22 23.720 5.115 -12.592 1.00 0.00 N ATOM 1408 CA ALA B 22 23.953 4.736 -14.012 1.00 0.00 C ATOM 1409 C ALA B 22 23.054 3.556 -14.386 1.00 0.00 C ATOM 1410 O ALA B 22 22.429 3.547 -15.428 1.00 0.00 O ATOM 1411 CB ALA B 22 25.419 4.340 -14.200 1.00 0.00 C ATOM 0 H ALA B 22 24.503 4.943 -11.961 1.00 0.00 H new ATOM 0 HA ALA B 22 23.719 5.585 -14.654 1.00 0.00 H new ATOM 0 HB1 ALA B 22 25.590 4.062 -15.240 1.00 0.00 H new ATOM 0 HB2 ALA B 22 26.060 5.182 -13.939 1.00 0.00 H new ATOM 0 HB3 ALA B 22 25.653 3.493 -13.555 1.00 0.00 H new ATOM 1417 N HIS B 23 22.983 2.558 -13.548 1.00 0.00 N ATOM 1418 CA HIS B 23 22.123 1.384 -13.868 1.00 0.00 C ATOM 1419 C HIS B 23 20.655 1.736 -13.629 1.00 0.00 C ATOM 1420 O HIS B 23 19.765 1.069 -14.115 1.00 0.00 O ATOM 1421 CB HIS B 23 22.505 0.199 -12.978 1.00 0.00 C ATOM 1422 CG HIS B 23 23.997 0.002 -13.003 1.00 0.00 C ATOM 1423 ND1 HIS B 23 24.618 -1.020 -12.294 1.00 0.00 N ATOM 1424 CD2 HIS B 23 25.003 0.668 -13.660 1.00 0.00 C ATOM 1425 CE1 HIS B 23 25.933 -0.942 -12.536 1.00 0.00 C ATOM 1426 NE2 HIS B 23 26.223 0.072 -13.363 1.00 0.00 N ATOM 0 H HIS B 23 23.481 2.505 -12.659 1.00 0.00 H new ATOM 0 HA HIS B 23 22.270 1.116 -14.914 1.00 0.00 H new ATOM 0 HB2 HIS B 23 22.170 0.377 -11.956 1.00 0.00 H new ATOM 0 HB3 HIS B 23 22.004 -0.705 -13.325 1.00 0.00 H new ATOM 0 HD2 HIS B 23 24.867 1.522 -14.307 1.00 0.00 H new ATOM 0 HE1 HIS B 23 26.668 -1.613 -12.117 1.00 0.00 H new ATOM 0 HE2 HIS B 23 27.144 0.348 -13.703 1.00 0.00 H new ATOM 1434 N ILE B 24 20.387 2.775 -12.881 1.00 0.00 N ATOM 1435 CA ILE B 24 18.965 3.139 -12.627 1.00 0.00 C ATOM 1436 C ILE B 24 18.451 4.021 -13.768 1.00 0.00 C ATOM 1437 O ILE B 24 19.215 4.590 -14.522 1.00 0.00 O ATOM 1438 CB ILE B 24 18.833 3.905 -11.312 1.00 0.00 C ATOM 1439 CG1 ILE B 24 19.353 3.051 -10.154 1.00 0.00 C ATOM 1440 CG2 ILE B 24 17.361 4.250 -11.070 1.00 0.00 C ATOM 1441 CD1 ILE B 24 19.256 3.845 -8.848 1.00 0.00 C ATOM 0 H ILE B 24 21.082 3.379 -12.441 1.00 0.00 H new ATOM 0 HA ILE B 24 18.379 2.222 -12.567 1.00 0.00 H new ATOM 0 HB ILE B 24 19.421 4.821 -11.371 1.00 0.00 H new ATOM 0 HG12 ILE B 24 18.772 2.132 -10.077 1.00 0.00 H new ATOM 0 HG13 ILE B 24 20.387 2.760 -10.339 1.00 0.00 H new ATOM 0 HG21 ILE B 24 17.265 4.797 -10.132 1.00 0.00 H new ATOM 0 HG22 ILE B 24 16.993 4.867 -11.889 1.00 0.00 H new ATOM 0 HG23 ILE B 24 16.776 3.332 -11.016 1.00 0.00 H new ATOM 0 HD11 ILE B 24 19.627 3.236 -8.024 1.00 0.00 H new ATOM 0 HD12 ILE B 24 19.856 4.751 -8.928 1.00 0.00 H new ATOM 0 HD13 ILE B 24 18.216 4.114 -8.662 1.00 0.00 H new ATOM 1453 N LYS B 25 17.160 4.142 -13.890 1.00 0.00 N ATOM 1454 CA LYS B 25 16.579 4.986 -14.969 1.00 0.00 C ATOM 1455 C LYS B 25 15.738 6.101 -14.348 1.00 0.00 C ATOM 1456 O LYS B 25 15.562 7.156 -14.924 1.00 0.00 O ATOM 1457 CB LYS B 25 15.672 4.122 -15.848 1.00 0.00 C ATOM 1458 CG LYS B 25 16.180 4.134 -17.291 1.00 0.00 C ATOM 1459 CD LYS B 25 15.259 3.271 -18.159 1.00 0.00 C ATOM 1460 CE LYS B 25 15.541 3.548 -19.638 1.00 0.00 C ATOM 1461 NZ LYS B 25 15.143 4.946 -19.968 1.00 0.00 N ATOM 0 H LYS B 25 16.477 3.689 -13.283 1.00 0.00 H new ATOM 0 HA LYS B 25 17.384 5.416 -15.565 1.00 0.00 H new ATOM 0 HB2 LYS B 25 15.650 3.100 -15.469 1.00 0.00 H new ATOM 0 HB3 LYS B 25 14.649 4.498 -15.810 1.00 0.00 H new ATOM 0 HG2 LYS B 25 16.205 5.155 -17.671 1.00 0.00 H new ATOM 0 HG3 LYS B 25 17.200 3.753 -17.333 1.00 0.00 H new ATOM 0 HD2 LYS B 25 15.419 2.215 -17.939 1.00 0.00 H new ATOM 0 HD3 LYS B 25 14.216 3.490 -17.930 1.00 0.00 H new ATOM 0 HE2 LYS B 25 16.600 3.400 -19.851 1.00 0.00 H new ATOM 0 HE3 LYS B 25 14.989 2.845 -20.262 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 14.911 5.011 -20.980 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 14.311 5.212 -19.404 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 15.929 5.591 -19.751 1.00 0.00 H new ATOM 1475 N GLU B 26 15.189 5.861 -13.190 1.00 0.00 N ATOM 1476 CA GLU B 26 14.327 6.880 -12.545 1.00 0.00 C ATOM 1477 C GLU B 26 14.063 6.443 -11.101 1.00 0.00 C ATOM 1478 O GLU B 26 14.761 5.610 -10.560 1.00 0.00 O ATOM 1479 CB GLU B 26 12.979 6.998 -13.304 1.00 0.00 C ATOM 1480 CG GLU B 26 12.738 5.823 -14.269 1.00 0.00 C ATOM 1481 CD GLU B 26 13.011 6.262 -15.714 1.00 0.00 C ATOM 1482 OE1 GLU B 26 13.360 7.414 -15.913 1.00 0.00 O ATOM 1483 OE2 GLU B 26 12.862 5.435 -16.598 1.00 0.00 O ATOM 0 H GLU B 26 15.304 4.996 -12.662 1.00 0.00 H new ATOM 0 HA GLU B 26 14.824 7.850 -12.565 1.00 0.00 H new ATOM 0 HB2 GLU B 26 12.163 7.044 -12.583 1.00 0.00 H new ATOM 0 HB3 GLU B 26 12.962 7.933 -13.864 1.00 0.00 H new ATOM 0 HG2 GLU B 26 13.387 4.987 -14.006 1.00 0.00 H new ATOM 0 HG3 GLU B 26 11.711 5.471 -14.176 1.00 0.00 H new ATOM 1490 N TYR B 27 13.048 6.977 -10.485 1.00 0.00 N ATOM 1491 CA TYR B 27 12.711 6.580 -9.100 1.00 0.00 C ATOM 1492 C TYR B 27 11.281 7.035 -8.837 1.00 0.00 C ATOM 1493 O TYR B 27 10.878 8.099 -9.264 1.00 0.00 O ATOM 1494 CB TYR B 27 13.664 7.236 -8.103 1.00 0.00 C ATOM 1495 CG TYR B 27 13.575 8.737 -8.223 1.00 0.00 C ATOM 1496 CD1 TYR B 27 14.419 9.426 -9.123 1.00 0.00 C ATOM 1497 CD2 TYR B 27 12.649 9.452 -7.432 1.00 0.00 C ATOM 1498 CE1 TYR B 27 14.336 10.832 -9.229 1.00 0.00 C ATOM 1499 CE2 TYR B 27 12.565 10.857 -7.540 1.00 0.00 C ATOM 1500 CZ TYR B 27 13.410 11.547 -8.439 1.00 0.00 C ATOM 1501 OH TYR B 27 13.330 12.921 -8.542 1.00 0.00 O ATOM 0 H TYR B 27 12.432 7.681 -10.891 1.00 0.00 H new ATOM 0 HA TYR B 27 12.805 5.501 -8.980 1.00 0.00 H new ATOM 0 HB2 TYR B 27 13.412 6.928 -7.088 1.00 0.00 H new ATOM 0 HB3 TYR B 27 14.686 6.907 -8.292 1.00 0.00 H new ATOM 0 HD1 TYR B 27 15.126 8.879 -9.729 1.00 0.00 H new ATOM 0 HD2 TYR B 27 12.005 8.924 -6.744 1.00 0.00 H new ATOM 0 HE1 TYR B 27 14.981 11.360 -9.915 1.00 0.00 H new ATOM 0 HE2 TYR B 27 11.856 11.404 -6.936 1.00 0.00 H new ATOM 0 HH TYR B 27 12.641 13.255 -7.930 1.00 0.00 H new ATOM 1511 N PHE B 28 10.506 6.244 -8.163 1.00 0.00 N ATOM 1512 CA PHE B 28 9.105 6.649 -7.911 1.00 0.00 C ATOM 1513 C PHE B 28 8.815 6.565 -6.409 1.00 0.00 C ATOM 1514 O PHE B 28 8.636 5.498 -5.858 1.00 0.00 O ATOM 1515 CB PHE B 28 8.155 5.726 -8.708 1.00 0.00 C ATOM 1516 CG PHE B 28 6.748 5.793 -8.147 1.00 0.00 C ATOM 1517 CD1 PHE B 28 6.386 4.952 -7.074 1.00 0.00 C ATOM 1518 CD2 PHE B 28 5.835 6.759 -8.626 1.00 0.00 C ATOM 1519 CE1 PHE B 28 5.118 5.074 -6.475 1.00 0.00 C ATOM 1520 CE2 PHE B 28 4.553 6.870 -8.039 1.00 0.00 C ATOM 1521 CZ PHE B 28 4.196 6.029 -6.959 1.00 0.00 C ATOM 0 H PHE B 28 10.779 5.340 -7.778 1.00 0.00 H new ATOM 0 HA PHE B 28 8.946 7.677 -8.238 1.00 0.00 H new ATOM 0 HB2 PHE B 28 8.148 6.022 -9.757 1.00 0.00 H new ATOM 0 HB3 PHE B 28 8.519 4.699 -8.668 1.00 0.00 H new ATOM 0 HD1 PHE B 28 7.084 4.212 -6.711 1.00 0.00 H new ATOM 0 HD2 PHE B 28 6.116 7.412 -9.439 1.00 0.00 H new ATOM 0 HE1 PHE B 28 4.850 4.437 -5.645 1.00 0.00 H new ATOM 0 HE2 PHE B 28 3.847 7.596 -8.415 1.00 0.00 H new ATOM 0 HZ PHE B 28 3.220 6.117 -6.505 1.00 0.00 H new ATOM 1531 N TYR B 29 8.750 7.681 -5.745 1.00 0.00 N ATOM 1532 CA TYR B 29 8.459 7.650 -4.291 1.00 0.00 C ATOM 1533 C TYR B 29 7.068 7.048 -4.084 1.00 0.00 C ATOM 1534 O TYR B 29 6.122 7.381 -4.770 1.00 0.00 O ATOM 1535 CB TYR B 29 8.524 9.076 -3.733 1.00 0.00 C ATOM 1536 CG TYR B 29 8.005 9.129 -2.314 1.00 0.00 C ATOM 1537 CD1 TYR B 29 6.636 9.374 -2.078 1.00 0.00 C ATOM 1538 CD2 TYR B 29 8.897 8.999 -1.227 1.00 0.00 C ATOM 1539 CE1 TYR B 29 6.152 9.473 -0.755 1.00 0.00 C ATOM 1540 CE2 TYR B 29 8.416 9.106 0.098 1.00 0.00 C ATOM 1541 CZ TYR B 29 7.042 9.341 0.334 1.00 0.00 C ATOM 1542 OH TYR B 29 6.570 9.453 1.626 1.00 0.00 O ATOM 0 H TYR B 29 8.885 8.609 -6.145 1.00 0.00 H new ATOM 0 HA TYR B 29 9.193 7.040 -3.765 1.00 0.00 H new ATOM 0 HB2 TYR B 29 9.553 9.434 -3.761 1.00 0.00 H new ATOM 0 HB3 TYR B 29 7.937 9.744 -4.364 1.00 0.00 H new ATOM 0 HD1 TYR B 29 5.957 9.486 -2.910 1.00 0.00 H new ATOM 0 HD2 TYR B 29 9.946 8.818 -1.408 1.00 0.00 H new ATOM 0 HE1 TYR B 29 5.102 9.650 -0.576 1.00 0.00 H new ATOM 0 HE2 TYR B 29 9.098 9.008 0.930 1.00 0.00 H new ATOM 0 HH TYR B 29 5.593 9.383 1.624 1.00 0.00 H new ATOM 1552 N THR B 30 6.957 6.149 -3.148 1.00 0.00 N ATOM 1553 CA THR B 30 5.647 5.476 -2.866 1.00 0.00 C ATOM 1554 C THR B 30 4.501 6.496 -2.861 1.00 0.00 C ATOM 1555 O THR B 30 4.715 7.688 -2.820 1.00 0.00 O ATOM 1556 CB THR B 30 5.716 4.800 -1.496 1.00 0.00 C ATOM 1557 OG1 THR B 30 6.228 5.717 -0.542 1.00 0.00 O ATOM 1558 CG2 THR B 30 6.634 3.578 -1.576 1.00 0.00 C ATOM 0 H THR B 30 7.728 5.843 -2.554 1.00 0.00 H new ATOM 0 HA THR B 30 5.458 4.739 -3.646 1.00 0.00 H new ATOM 0 HB THR B 30 4.717 4.484 -1.195 1.00 0.00 H new ATOM 0 HG1 THR B 30 5.514 5.979 0.076 1.00 0.00 H new ATOM 0 HG21 THR B 30 6.684 3.096 -0.600 1.00 0.00 H new ATOM 0 HG22 THR B 30 6.240 2.874 -2.309 1.00 0.00 H new ATOM 0 HG23 THR B 30 7.633 3.893 -1.876 1.00 0.00 H new ATOM 1566 N SER B 31 3.281 6.030 -2.898 1.00 0.00 N ATOM 1567 CA SER B 31 2.125 6.971 -2.891 1.00 0.00 C ATOM 1568 C SER B 31 2.209 7.863 -1.651 1.00 0.00 C ATOM 1569 O SER B 31 1.724 8.977 -1.641 1.00 0.00 O ATOM 1570 CB SER B 31 0.818 6.177 -2.864 1.00 0.00 C ATOM 1571 OG SER B 31 -0.275 7.074 -2.728 1.00 0.00 O ATOM 0 H SER B 31 3.036 5.040 -2.933 1.00 0.00 H new ATOM 0 HA SER B 31 2.151 7.589 -3.788 1.00 0.00 H new ATOM 0 HB2 SER B 31 0.714 5.595 -3.780 1.00 0.00 H new ATOM 0 HB3 SER B 31 0.827 5.469 -2.036 1.00 0.00 H new ATOM 0 HG SER B 31 -1.114 6.568 -2.712 1.00 0.00 H new ATOM 1577 N GLY B 32 2.824 7.381 -0.605 1.00 0.00 N ATOM 1578 CA GLY B 32 2.942 8.200 0.633 1.00 0.00 C ATOM 1579 C GLY B 32 1.839 7.812 1.619 1.00 0.00 C ATOM 1580 O GLY B 32 1.217 8.659 2.229 1.00 0.00 O ATOM 0 H GLY B 32 3.249 6.455 -0.555 1.00 0.00 H new ATOM 0 HA2 GLY B 32 3.920 8.047 1.089 1.00 0.00 H new ATOM 0 HA3 GLY B 32 2.867 9.259 0.388 1.00 0.00 H new ATOM 1584 N LYS B 33 1.590 6.540 1.783 1.00 0.00 N ATOM 1585 CA LYS B 33 0.526 6.110 2.735 1.00 0.00 C ATOM 1586 C LYS B 33 0.399 4.584 2.718 1.00 0.00 C ATOM 1587 O LYS B 33 -0.614 4.042 2.325 1.00 0.00 O ATOM 1588 CB LYS B 33 -0.808 6.733 2.324 1.00 0.00 C ATOM 1589 CG LYS B 33 -1.067 6.452 0.844 1.00 0.00 C ATOM 1590 CD LYS B 33 -2.340 7.174 0.401 1.00 0.00 C ATOM 1591 CE LYS B 33 -3.565 6.416 0.916 1.00 0.00 C ATOM 1592 NZ LYS B 33 -4.380 5.945 -0.240 1.00 0.00 N ATOM 0 H LYS B 33 2.075 5.783 1.301 1.00 0.00 H new ATOM 0 HA LYS B 33 0.791 6.439 3.740 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -1.616 6.322 2.930 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -0.790 7.808 2.503 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -0.220 6.787 0.246 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -1.169 5.379 0.679 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -2.344 8.194 0.784 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -2.372 7.242 -0.686 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -3.252 5.567 1.524 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -4.164 7.063 1.557 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -4.987 5.157 0.062 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -4.973 6.725 -0.588 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -3.749 5.624 -1.002 1.00 0.00 H new ATOM 1606 N CYS B 34 1.415 3.886 3.149 1.00 0.00 N ATOM 1607 CA CYS B 34 1.338 2.397 3.162 1.00 0.00 C ATOM 1608 C CYS B 34 2.349 1.838 4.169 1.00 0.00 C ATOM 1609 O CYS B 34 2.811 0.721 4.046 1.00 0.00 O ATOM 1610 CB CYS B 34 1.632 1.849 1.764 1.00 0.00 C ATOM 1611 SG CYS B 34 3.214 2.493 1.166 1.00 0.00 S ATOM 0 H CYS B 34 2.291 4.280 3.491 1.00 0.00 H new ATOM 0 HA CYS B 34 0.334 2.091 3.457 1.00 0.00 H new ATOM 0 HB2 CYS B 34 1.660 0.760 1.790 1.00 0.00 H new ATOM 0 HB3 CYS B 34 0.833 2.131 1.079 1.00 0.00 H new ATOM 1616 N SER B 35 2.681 2.605 5.171 1.00 0.00 N ATOM 1617 CA SER B 35 3.647 2.125 6.200 1.00 0.00 C ATOM 1618 C SER B 35 4.958 1.689 5.541 1.00 0.00 C ATOM 1619 O SER B 35 5.594 0.750 5.977 1.00 0.00 O ATOM 1620 CB SER B 35 3.039 0.935 6.947 1.00 0.00 C ATOM 1621 OG SER B 35 1.628 1.081 6.999 1.00 0.00 O ATOM 0 H SER B 35 2.323 3.548 5.322 1.00 0.00 H new ATOM 0 HA SER B 35 3.854 2.938 6.895 1.00 0.00 H new ATOM 0 HB2 SER B 35 3.301 0.004 6.444 1.00 0.00 H new ATOM 0 HB3 SER B 35 3.447 0.878 7.956 1.00 0.00 H new ATOM 0 HG SER B 35 1.238 0.319 7.476 1.00 0.00 H new ATOM 1627 N ASN B 36 5.379 2.361 4.504 1.00 0.00 N ATOM 1628 CA ASN B 36 6.658 1.970 3.844 1.00 0.00 C ATOM 1629 C ASN B 36 7.062 3.024 2.799 1.00 0.00 C ATOM 1630 O ASN B 36 7.234 2.698 1.640 1.00 0.00 O ATOM 1631 CB ASN B 36 6.479 0.609 3.165 1.00 0.00 C ATOM 1632 CG ASN B 36 7.127 -0.476 4.027 1.00 0.00 C ATOM 1633 OD1 ASN B 36 8.315 -0.437 4.282 1.00 0.00 O ATOM 1634 ND2 ASN B 36 6.392 -1.447 4.493 1.00 0.00 N ATOM 0 H ASN B 36 4.897 3.158 4.088 1.00 0.00 H new ATOM 0 HA ASN B 36 7.445 1.905 4.596 1.00 0.00 H new ATOM 0 HB2 ASN B 36 5.419 0.395 3.027 1.00 0.00 H new ATOM 0 HB3 ASN B 36 6.933 0.622 2.174 1.00 0.00 H new ATOM 0 HD21 ASN B 36 6.814 -2.174 5.071 1.00 0.00 H new ATOM 0 HD22 ASN B 36 5.395 -1.480 4.279 1.00 0.00 H new ATOM 1641 N PRO B 37 7.220 4.261 3.229 1.00 0.00 N ATOM 1642 CA PRO B 37 7.624 5.346 2.320 1.00 0.00 C ATOM 1643 C PRO B 37 9.036 5.076 1.792 1.00 0.00 C ATOM 1644 O PRO B 37 9.846 4.478 2.470 1.00 0.00 O ATOM 1645 CB PRO B 37 7.614 6.615 3.187 1.00 0.00 C ATOM 1646 CG PRO B 37 7.276 6.191 4.639 1.00 0.00 C ATOM 1647 CD PRO B 37 7.012 4.678 4.634 1.00 0.00 C ATOM 0 HA PRO B 37 6.963 5.436 1.458 1.00 0.00 H new ATOM 0 HB2 PRO B 37 8.584 7.111 3.149 1.00 0.00 H new ATOM 0 HB3 PRO B 37 6.877 7.327 2.815 1.00 0.00 H new ATOM 0 HG2 PRO B 37 8.100 6.433 5.310 1.00 0.00 H new ATOM 0 HG3 PRO B 37 6.401 6.731 5.001 1.00 0.00 H new ATOM 0 HD2 PRO B 37 7.693 4.156 5.306 1.00 0.00 H new ATOM 0 HD3 PRO B 37 5.999 4.452 4.968 1.00 0.00 H new ATOM 1655 N ALA B 38 9.337 5.508 0.592 1.00 0.00 N ATOM 1656 CA ALA B 38 10.702 5.268 0.028 1.00 0.00 C ATOM 1657 C ALA B 38 10.784 5.824 -1.394 1.00 0.00 C ATOM 1658 O ALA B 38 9.985 6.641 -1.803 1.00 0.00 O ATOM 1659 CB ALA B 38 10.981 3.759 -0.018 1.00 0.00 C ATOM 0 H ALA B 38 8.698 6.015 -0.020 1.00 0.00 H new ATOM 0 HA ALA B 38 11.437 5.766 0.661 1.00 0.00 H new ATOM 0 HB1 ALA B 38 11.975 3.585 -0.429 1.00 0.00 H new ATOM 0 HB2 ALA B 38 10.928 3.348 0.990 1.00 0.00 H new ATOM 0 HB3 ALA B 38 10.238 3.271 -0.648 1.00 0.00 H new ATOM 1665 N VAL B 39 11.730 5.353 -2.161 1.00 0.00 N ATOM 1666 CA VAL B 39 11.864 5.804 -3.568 1.00 0.00 C ATOM 1667 C VAL B 39 12.144 4.558 -4.373 1.00 0.00 C ATOM 1668 O VAL B 39 13.042 3.796 -4.068 1.00 0.00 O ATOM 1669 CB VAL B 39 13.008 6.806 -3.729 1.00 0.00 C ATOM 1670 CG1 VAL B 39 12.544 8.180 -3.254 1.00 0.00 C ATOM 1671 CG2 VAL B 39 14.216 6.361 -2.906 1.00 0.00 C ATOM 0 H VAL B 39 12.423 4.666 -1.864 1.00 0.00 H new ATOM 0 HA VAL B 39 10.959 6.313 -3.900 1.00 0.00 H new ATOM 0 HB VAL B 39 13.296 6.857 -4.779 1.00 0.00 H new ATOM 0 HG11 VAL B 39 13.357 8.898 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL B 39 11.690 8.502 -3.850 1.00 0.00 H new ATOM 0 HG13 VAL B 39 12.253 8.123 -2.205 1.00 0.00 H new ATOM 0 HG21 VAL B 39 15.025 7.082 -3.028 1.00 0.00 H new ATOM 0 HG22 VAL B 39 13.938 6.302 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL B 39 14.549 5.381 -3.248 1.00 0.00 H new ATOM 1681 N VAL B 40 11.347 4.306 -5.349 1.00 0.00 N ATOM 1682 CA VAL B 40 11.519 3.064 -6.124 1.00 0.00 C ATOM 1683 C VAL B 40 12.338 3.295 -7.375 1.00 0.00 C ATOM 1684 O VAL B 40 11.811 3.637 -8.415 1.00 0.00 O ATOM 1685 CB VAL B 40 10.156 2.572 -6.553 1.00 0.00 C ATOM 1686 CG1 VAL B 40 10.279 1.173 -7.125 1.00 0.00 C ATOM 1687 CG2 VAL B 40 9.199 2.589 -5.382 1.00 0.00 C ATOM 0 H VAL B 40 10.579 4.907 -5.648 1.00 0.00 H new ATOM 0 HA VAL B 40 12.034 2.341 -5.492 1.00 0.00 H new ATOM 0 HB VAL B 40 9.760 3.234 -7.323 1.00 0.00 H new ATOM 0 HG11 VAL B 40 9.296 0.819 -7.434 1.00 0.00 H new ATOM 0 HG12 VAL B 40 10.946 1.190 -7.987 1.00 0.00 H new ATOM 0 HG13 VAL B 40 10.684 0.504 -6.366 1.00 0.00 H new ATOM 0 HG21 VAL B 40 8.221 2.232 -5.706 1.00 0.00 H new ATOM 0 HG22 VAL B 40 9.579 1.941 -4.592 1.00 0.00 H new ATOM 0 HG23 VAL B 40 9.106 3.607 -5.003 1.00 0.00 H new ATOM 1697 N PHE B 41 13.610 3.089 -7.309 1.00 0.00 N ATOM 1698 CA PHE B 41 14.424 3.292 -8.516 1.00 0.00 C ATOM 1699 C PHE B 41 13.957 2.382 -9.626 1.00 0.00 C ATOM 1700 O PHE B 41 14.099 1.186 -9.577 1.00 0.00 O ATOM 1701 CB PHE B 41 15.895 3.004 -8.214 1.00 0.00 C ATOM 1702 CG PHE B 41 16.489 4.119 -7.388 1.00 0.00 C ATOM 1703 CD1 PHE B 41 16.551 5.435 -7.897 1.00 0.00 C ATOM 1704 CD2 PHE B 41 17.018 3.829 -6.115 1.00 0.00 C ATOM 1705 CE1 PHE B 41 17.144 6.462 -7.127 1.00 0.00 C ATOM 1706 CE2 PHE B 41 17.604 4.854 -5.342 1.00 0.00 C ATOM 1707 CZ PHE B 41 17.669 6.170 -5.847 1.00 0.00 C ATOM 0 H PHE B 41 14.118 2.791 -6.476 1.00 0.00 H new ATOM 0 HA PHE B 41 14.314 4.329 -8.832 1.00 0.00 H new ATOM 0 HB2 PHE B 41 15.985 2.059 -7.679 1.00 0.00 H new ATOM 0 HB3 PHE B 41 16.450 2.897 -9.146 1.00 0.00 H new ATOM 0 HD1 PHE B 41 16.146 5.657 -8.873 1.00 0.00 H new ATOM 0 HD2 PHE B 41 16.975 2.821 -5.730 1.00 0.00 H new ATOM 0 HE1 PHE B 41 17.196 7.468 -7.516 1.00 0.00 H new ATOM 0 HE2 PHE B 41 18.003 4.631 -4.363 1.00 0.00 H new ATOM 0 HZ PHE B 41 18.120 6.954 -5.256 1.00 0.00 H new ATOM 1717 N VAL B 42 13.441 2.975 -10.647 1.00 0.00 N ATOM 1718 CA VAL B 42 12.988 2.196 -11.828 1.00 0.00 C ATOM 1719 C VAL B 42 14.232 2.061 -12.731 1.00 0.00 C ATOM 1720 O VAL B 42 14.527 2.928 -13.528 1.00 0.00 O ATOM 1721 CB VAL B 42 11.848 2.926 -12.567 1.00 0.00 C ATOM 1722 CG1 VAL B 42 10.572 2.125 -12.364 1.00 0.00 C ATOM 1723 CG2 VAL B 42 11.602 4.338 -12.024 1.00 0.00 C ATOM 0 H VAL B 42 13.308 3.984 -10.722 1.00 0.00 H new ATOM 0 HA VAL B 42 12.590 1.223 -11.540 1.00 0.00 H new ATOM 0 HB VAL B 42 12.131 3.012 -13.616 1.00 0.00 H new ATOM 0 HG11 VAL B 42 9.747 2.619 -12.877 1.00 0.00 H new ATOM 0 HG12 VAL B 42 10.703 1.122 -12.770 1.00 0.00 H new ATOM 0 HG13 VAL B 42 10.350 2.059 -11.299 1.00 0.00 H new ATOM 0 HG21 VAL B 42 10.790 4.805 -12.580 1.00 0.00 H new ATOM 0 HG22 VAL B 42 11.333 4.281 -10.969 1.00 0.00 H new ATOM 0 HG23 VAL B 42 12.508 4.934 -12.136 1.00 0.00 H new ATOM 1733 N THR B 43 15.006 1.020 -12.542 1.00 0.00 N ATOM 1734 CA THR B 43 16.295 0.867 -13.313 1.00 0.00 C ATOM 1735 C THR B 43 16.087 0.449 -14.763 1.00 0.00 C ATOM 1736 O THR B 43 15.014 0.562 -15.319 1.00 0.00 O ATOM 1737 CB THR B 43 17.188 -0.170 -12.617 1.00 0.00 C ATOM 1738 OG1 THR B 43 16.756 -1.477 -12.966 1.00 0.00 O ATOM 1739 CG2 THR B 43 17.109 0.007 -11.098 1.00 0.00 C ATOM 0 H THR B 43 14.806 0.264 -11.887 1.00 0.00 H new ATOM 0 HA THR B 43 16.768 1.849 -13.327 1.00 0.00 H new ATOM 0 HB THR B 43 18.219 -0.028 -12.939 1.00 0.00 H new ATOM 0 HG1 THR B 43 17.327 -2.139 -12.523 1.00 0.00 H new ATOM 0 HG21 THR B 43 17.745 -0.733 -10.612 1.00 0.00 H new ATOM 0 HG22 THR B 43 17.447 1.008 -10.830 1.00 0.00 H new ATOM 0 HG23 THR B 43 16.079 -0.129 -10.769 1.00 0.00 H new ATOM 1747 N ARG B 44 17.152 -0.012 -15.389 1.00 0.00 N ATOM 1748 CA ARG B 44 17.079 -0.424 -16.821 1.00 0.00 C ATOM 1749 C ARG B 44 15.862 -1.322 -17.032 1.00 0.00 C ATOM 1750 O ARG B 44 14.930 -0.957 -17.721 1.00 0.00 O ATOM 1751 CB ARG B 44 18.364 -1.160 -17.237 1.00 0.00 C ATOM 1752 CG ARG B 44 18.841 -2.101 -16.123 1.00 0.00 C ATOM 1753 CD ARG B 44 20.301 -1.794 -15.786 1.00 0.00 C ATOM 1754 NE ARG B 44 20.804 -2.798 -14.805 1.00 0.00 N ATOM 1755 CZ ARG B 44 21.676 -3.696 -15.175 1.00 0.00 C ATOM 1756 NH1 ARG B 44 21.321 -4.656 -15.984 1.00 0.00 N ATOM 1757 NH2 ARG B 44 22.902 -3.636 -14.732 1.00 0.00 N ATOM 0 H ARG B 44 18.071 -0.118 -14.960 1.00 0.00 H new ATOM 0 HA ARG B 44 16.981 0.466 -17.442 1.00 0.00 H new ATOM 0 HB2 ARG B 44 18.182 -1.731 -18.148 1.00 0.00 H new ATOM 0 HB3 ARG B 44 19.145 -0.435 -17.466 1.00 0.00 H new ATOM 0 HG2 ARG B 44 18.218 -1.978 -15.237 1.00 0.00 H new ATOM 0 HG3 ARG B 44 18.741 -3.139 -16.441 1.00 0.00 H new ATOM 0 HD2 ARG B 44 20.908 -1.818 -16.691 1.00 0.00 H new ATOM 0 HD3 ARG B 44 20.387 -0.790 -15.372 1.00 0.00 H new ATOM 0 HE ARG B 44 20.466 -2.783 -13.843 1.00 0.00 H new ATOM 0 HH11 ARG B 44 20.362 -4.705 -16.328 1.00 0.00 H new ATOM 0 HH12 ARG B 44 22.003 -5.358 -16.273 1.00 0.00 H new ATOM 0 HH21 ARG B 44 23.179 -2.887 -14.097 1.00 0.00 H new ATOM 0 HH22 ARG B 44 23.584 -4.338 -15.021 1.00 0.00 H new ATOM 1771 N LYS B 45 15.824 -2.471 -16.403 1.00 0.00 N ATOM 1772 CA LYS B 45 14.615 -3.332 -16.541 1.00 0.00 C ATOM 1773 C LYS B 45 13.435 -2.498 -16.040 1.00 0.00 C ATOM 1774 O LYS B 45 12.311 -2.635 -16.480 1.00 0.00 O ATOM 1775 CB LYS B 45 14.766 -4.593 -15.688 1.00 0.00 C ATOM 1776 CG LYS B 45 15.525 -5.657 -16.481 1.00 0.00 C ATOM 1777 CD LYS B 45 15.786 -6.870 -15.586 1.00 0.00 C ATOM 1778 CE LYS B 45 16.907 -7.717 -16.190 1.00 0.00 C ATOM 1779 NZ LYS B 45 16.322 -8.917 -16.852 1.00 0.00 N ATOM 0 H LYS B 45 16.566 -2.843 -15.810 1.00 0.00 H new ATOM 0 HA LYS B 45 14.469 -3.648 -17.574 1.00 0.00 H new ATOM 0 HB2 LYS B 45 15.301 -4.360 -14.767 1.00 0.00 H new ATOM 0 HB3 LYS B 45 13.785 -4.970 -15.400 1.00 0.00 H new ATOM 0 HG2 LYS B 45 14.947 -5.955 -17.356 1.00 0.00 H new ATOM 0 HG3 LYS B 45 16.469 -5.250 -16.845 1.00 0.00 H new ATOM 0 HD2 LYS B 45 16.062 -6.543 -14.584 1.00 0.00 H new ATOM 0 HD3 LYS B 45 14.878 -7.465 -15.488 1.00 0.00 H new ATOM 0 HE2 LYS B 45 17.472 -7.129 -16.913 1.00 0.00 H new ATOM 0 HE3 LYS B 45 17.606 -8.023 -15.412 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 17.084 -9.493 -17.263 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 15.801 -9.481 -16.151 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 15.672 -8.615 -17.605 1.00 0.00 H new ATOM 1793 N ASN B 46 13.726 -1.600 -15.133 1.00 0.00 N ATOM 1794 CA ASN B 46 12.699 -0.690 -14.580 1.00 0.00 C ATOM 1795 C ASN B 46 11.795 -1.417 -13.627 1.00 0.00 C ATOM 1796 O ASN B 46 10.752 -0.913 -13.257 1.00 0.00 O ATOM 1797 CB ASN B 46 11.878 -0.075 -15.711 1.00 0.00 C ATOM 1798 CG ASN B 46 12.002 1.450 -15.673 1.00 0.00 C ATOM 1799 OD1 ASN B 46 13.048 1.979 -15.353 1.00 0.00 O ATOM 1800 ND2 ASN B 46 10.968 2.184 -15.982 1.00 0.00 N ATOM 0 H ASN B 46 14.661 -1.463 -14.748 1.00 0.00 H new ATOM 0 HA ASN B 46 13.207 0.104 -14.033 1.00 0.00 H new ATOM 0 HB2 ASN B 46 12.226 -0.453 -16.672 1.00 0.00 H new ATOM 0 HB3 ASN B 46 10.832 -0.366 -15.613 1.00 0.00 H new ATOM 0 HD21 ASN B 46 11.038 3.201 -15.955 1.00 0.00 H new ATOM 0 HD22 ASN B 46 10.090 1.740 -16.251 1.00 0.00 H new ATOM 1807 N ARG B 47 12.208 -2.556 -13.142 1.00 0.00 N ATOM 1808 CA ARG B 47 11.379 -3.232 -12.114 1.00 0.00 C ATOM 1809 C ARG B 47 11.256 -2.196 -11.018 1.00 0.00 C ATOM 1810 O ARG B 47 12.201 -1.481 -10.767 1.00 0.00 O ATOM 1811 CB ARG B 47 12.091 -4.469 -11.578 1.00 0.00 C ATOM 1812 CG ARG B 47 11.792 -5.674 -12.473 1.00 0.00 C ATOM 1813 CD ARG B 47 12.747 -6.817 -12.123 1.00 0.00 C ATOM 1814 NE ARG B 47 12.956 -7.678 -13.321 1.00 0.00 N ATOM 1815 CZ ARG B 47 13.873 -8.607 -13.304 1.00 0.00 C ATOM 1816 NH1 ARG B 47 15.076 -8.329 -12.879 1.00 0.00 N ATOM 1817 NH2 ARG B 47 13.586 -9.814 -13.707 1.00 0.00 N ATOM 0 H ARG B 47 13.067 -3.037 -13.409 1.00 0.00 H new ATOM 0 HA ARG B 47 10.418 -3.567 -12.504 1.00 0.00 H new ATOM 0 HB2 ARG B 47 13.166 -4.292 -11.540 1.00 0.00 H new ATOM 0 HB3 ARG B 47 11.765 -4.673 -10.558 1.00 0.00 H new ATOM 0 HG2 ARG B 47 10.759 -5.994 -12.337 1.00 0.00 H new ATOM 0 HG3 ARG B 47 11.905 -5.399 -13.522 1.00 0.00 H new ATOM 0 HD2 ARG B 47 13.701 -6.416 -11.780 1.00 0.00 H new ATOM 0 HD3 ARG B 47 12.338 -7.409 -11.304 1.00 0.00 H new ATOM 0 HE ARG B 47 12.383 -7.542 -14.154 1.00 0.00 H new ATOM 0 HH11 ARG B 47 15.299 -7.386 -12.560 1.00 0.00 H new ATOM 0 HH12 ARG B 47 15.793 -9.055 -12.866 1.00 0.00 H new ATOM 0 HH21 ARG B 47 12.645 -10.032 -14.035 1.00 0.00 H new ATOM 0 HH22 ARG B 47 14.302 -10.540 -13.694 1.00 0.00 H new ATOM 1831 N GLN B 48 10.135 -2.047 -10.408 1.00 0.00 N ATOM 1832 CA GLN B 48 10.051 -0.987 -9.396 1.00 0.00 C ATOM 1833 C GLN B 48 10.880 -1.432 -8.221 1.00 0.00 C ATOM 1834 O GLN B 48 10.454 -2.190 -7.387 1.00 0.00 O ATOM 1835 CB GLN B 48 8.607 -0.690 -9.043 1.00 0.00 C ATOM 1836 CG GLN B 48 8.169 0.489 -9.915 1.00 0.00 C ATOM 1837 CD GLN B 48 6.677 0.762 -9.712 1.00 0.00 C ATOM 1838 OE1 GLN B 48 6.255 1.118 -8.629 1.00 0.00 O ATOM 1839 NE2 GLN B 48 5.855 0.607 -10.713 1.00 0.00 N ATOM 0 H GLN B 48 9.290 -2.598 -10.559 1.00 0.00 H new ATOM 0 HA GLN B 48 10.447 -0.042 -9.768 1.00 0.00 H new ATOM 0 HB2 GLN B 48 7.978 -1.561 -9.227 1.00 0.00 H new ATOM 0 HB3 GLN B 48 8.511 -0.445 -7.985 1.00 0.00 H new ATOM 0 HG2 GLN B 48 8.748 1.376 -9.659 1.00 0.00 H new ATOM 0 HG3 GLN B 48 8.368 0.270 -10.964 1.00 0.00 H new ATOM 0 HE21 GLN B 48 6.209 0.308 -11.622 1.00 0.00 H new ATOM 0 HE22 GLN B 48 4.859 0.785 -10.587 1.00 0.00 H new ATOM 1848 N VAL B 49 12.096 -0.982 -8.211 1.00 0.00 N ATOM 1849 CA VAL B 49 13.061 -1.374 -7.160 1.00 0.00 C ATOM 1850 C VAL B 49 13.075 -0.327 -6.055 1.00 0.00 C ATOM 1851 O VAL B 49 13.329 0.825 -6.295 1.00 0.00 O ATOM 1852 CB VAL B 49 14.461 -1.467 -7.777 1.00 0.00 C ATOM 1853 CG1 VAL B 49 15.217 -2.614 -7.119 1.00 0.00 C ATOM 1854 CG2 VAL B 49 14.396 -1.723 -9.300 1.00 0.00 C ATOM 0 H VAL B 49 12.471 -0.340 -8.909 1.00 0.00 H new ATOM 0 HA VAL B 49 12.769 -2.337 -6.742 1.00 0.00 H new ATOM 0 HB VAL B 49 14.969 -0.517 -7.610 1.00 0.00 H new ATOM 0 HG11 VAL B 49 16.215 -2.688 -7.552 1.00 0.00 H new ATOM 0 HG12 VAL B 49 15.299 -2.429 -6.048 1.00 0.00 H new ATOM 0 HG13 VAL B 49 14.679 -3.547 -7.286 1.00 0.00 H new ATOM 0 HG21 VAL B 49 15.407 -1.783 -9.702 1.00 0.00 H new ATOM 0 HG22 VAL B 49 13.874 -2.661 -9.489 1.00 0.00 H new ATOM 0 HG23 VAL B 49 13.861 -0.906 -9.784 1.00 0.00 H new ATOM 1864 N CYS B 50 12.811 -0.719 -4.843 1.00 0.00 N ATOM 1865 CA CYS B 50 12.813 0.259 -3.732 1.00 0.00 C ATOM 1866 C CYS B 50 14.246 0.569 -3.325 1.00 0.00 C ATOM 1867 O CYS B 50 15.161 -0.161 -3.655 1.00 0.00 O ATOM 1868 CB CYS B 50 12.107 -0.354 -2.533 1.00 0.00 C ATOM 1869 SG CYS B 50 11.426 0.960 -1.509 1.00 0.00 S ATOM 0 H CYS B 50 12.593 -1.679 -4.576 1.00 0.00 H new ATOM 0 HA CYS B 50 12.309 1.170 -4.055 1.00 0.00 H new ATOM 0 HB2 CYS B 50 11.311 -1.020 -2.866 1.00 0.00 H new ATOM 0 HB3 CYS B 50 12.806 -0.957 -1.954 1.00 0.00 H new ATOM 1874 N ALA B 51 14.457 1.630 -2.594 1.00 0.00 N ATOM 1875 CA ALA B 51 15.845 1.937 -2.164 1.00 0.00 C ATOM 1876 C ALA B 51 15.864 2.701 -0.843 1.00 0.00 C ATOM 1877 O ALA B 51 16.893 3.188 -0.439 1.00 0.00 O ATOM 1878 CB ALA B 51 16.552 2.749 -3.248 1.00 0.00 C ATOM 0 H ALA B 51 13.740 2.285 -2.282 1.00 0.00 H new ATOM 0 HA ALA B 51 16.370 0.994 -2.012 1.00 0.00 H new ATOM 0 HB1 ALA B 51 17.570 2.973 -2.929 1.00 0.00 H new ATOM 0 HB2 ALA B 51 16.579 2.174 -4.174 1.00 0.00 H new ATOM 0 HB3 ALA B 51 16.011 3.681 -3.416 1.00 0.00 H new ATOM 1884 N ASN B 52 14.755 2.775 -0.147 1.00 0.00 N ATOM 1885 CA ASN B 52 14.729 3.478 1.175 1.00 0.00 C ATOM 1886 C ASN B 52 14.824 5.004 0.984 1.00 0.00 C ATOM 1887 O ASN B 52 15.681 5.470 0.264 1.00 0.00 O ATOM 1888 CB ASN B 52 15.917 3.009 2.015 1.00 0.00 C ATOM 1889 CG ASN B 52 15.730 3.450 3.468 1.00 0.00 C ATOM 1890 OD1 ASN B 52 16.425 4.325 3.944 1.00 0.00 O ATOM 1891 ND2 ASN B 52 14.814 2.875 4.199 1.00 0.00 N ATOM 0 H ASN B 52 13.863 2.377 -0.439 1.00 0.00 H new ATOM 0 HA ASN B 52 13.790 3.243 1.676 1.00 0.00 H new ATOM 0 HB2 ASN B 52 16.005 1.924 1.963 1.00 0.00 H new ATOM 0 HB3 ASN B 52 16.843 3.423 1.616 1.00 0.00 H new ATOM 0 HD21 ASN B 52 14.682 3.161 5.169 1.00 0.00 H new ATOM 0 HD22 ASN B 52 14.230 2.140 3.800 1.00 0.00 H new ATOM 1898 N PRO B 53 13.949 5.749 1.638 1.00 0.00 N ATOM 1899 CA PRO B 53 13.953 7.218 1.532 1.00 0.00 C ATOM 1900 C PRO B 53 15.108 7.828 2.334 1.00 0.00 C ATOM 1901 O PRO B 53 15.680 8.829 1.949 1.00 0.00 O ATOM 1902 CB PRO B 53 12.626 7.655 2.169 1.00 0.00 C ATOM 1903 CG PRO B 53 12.035 6.426 2.898 1.00 0.00 C ATOM 1904 CD PRO B 53 12.887 5.205 2.514 1.00 0.00 C ATOM 0 HA PRO B 53 14.069 7.540 0.497 1.00 0.00 H new ATOM 0 HB2 PRO B 53 12.788 8.475 2.869 1.00 0.00 H new ATOM 0 HB3 PRO B 53 11.936 8.018 1.407 1.00 0.00 H new ATOM 0 HG2 PRO B 53 12.048 6.578 3.977 1.00 0.00 H new ATOM 0 HG3 PRO B 53 10.995 6.273 2.610 1.00 0.00 H new ATOM 0 HD2 PRO B 53 13.309 4.723 3.396 1.00 0.00 H new ATOM 0 HD3 PRO B 53 12.292 4.454 1.995 1.00 0.00 H new ATOM 1912 N GLU B 54 15.429 7.258 3.468 1.00 0.00 N ATOM 1913 CA GLU B 54 16.516 7.841 4.310 1.00 0.00 C ATOM 1914 C GLU B 54 17.803 7.016 4.223 1.00 0.00 C ATOM 1915 O GLU B 54 18.510 6.864 5.200 1.00 0.00 O ATOM 1916 CB GLU B 54 16.048 7.883 5.766 1.00 0.00 C ATOM 1917 CG GLU B 54 16.465 9.212 6.398 1.00 0.00 C ATOM 1918 CD GLU B 54 15.331 9.732 7.284 1.00 0.00 C ATOM 1919 OE1 GLU B 54 15.081 9.124 8.310 1.00 0.00 O ATOM 1920 OE2 GLU B 54 14.729 10.729 6.917 1.00 0.00 O ATOM 0 H GLU B 54 14.988 6.419 3.845 1.00 0.00 H new ATOM 0 HA GLU B 54 16.731 8.844 3.942 1.00 0.00 H new ATOM 0 HB2 GLU B 54 14.965 7.769 5.814 1.00 0.00 H new ATOM 0 HB3 GLU B 54 16.481 7.052 6.322 1.00 0.00 H new ATOM 0 HG2 GLU B 54 17.371 9.078 6.989 1.00 0.00 H new ATOM 0 HG3 GLU B 54 16.697 9.940 5.621 1.00 0.00 H new ATOM 1927 N LYS B 55 18.137 6.503 3.071 1.00 0.00 N ATOM 1928 CA LYS B 55 19.405 5.721 2.958 1.00 0.00 C ATOM 1929 C LYS B 55 20.530 6.657 2.490 1.00 0.00 C ATOM 1930 O LYS B 55 21.561 6.214 2.025 1.00 0.00 O ATOM 1931 CB LYS B 55 19.234 4.572 1.962 1.00 0.00 C ATOM 1932 CG LYS B 55 19.274 3.238 2.711 1.00 0.00 C ATOM 1933 CD LYS B 55 19.299 2.087 1.702 1.00 0.00 C ATOM 1934 CE LYS B 55 19.516 0.765 2.440 1.00 0.00 C ATOM 1935 NZ LYS B 55 20.792 0.146 1.984 1.00 0.00 N ATOM 0 H LYS B 55 17.595 6.589 2.211 1.00 0.00 H new ATOM 0 HA LYS B 55 19.657 5.299 3.931 1.00 0.00 H new ATOM 0 HB2 LYS B 55 18.288 4.675 1.431 1.00 0.00 H new ATOM 0 HB3 LYS B 55 20.025 4.605 1.213 1.00 0.00 H new ATOM 0 HG2 LYS B 55 20.155 3.194 3.351 1.00 0.00 H new ATOM 0 HG3 LYS B 55 18.404 3.147 3.361 1.00 0.00 H new ATOM 0 HD2 LYS B 55 18.362 2.056 1.147 1.00 0.00 H new ATOM 0 HD3 LYS B 55 20.095 2.244 0.975 1.00 0.00 H new ATOM 0 HE2 LYS B 55 19.547 0.937 3.516 1.00 0.00 H new ATOM 0 HE3 LYS B 55 18.683 0.089 2.250 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 20.940 -0.753 2.485 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 20.745 -0.032 0.960 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 21.583 0.790 2.187 1.00 0.00 H new ATOM 1949 N LYS B 56 20.339 7.948 2.624 1.00 0.00 N ATOM 1950 CA LYS B 56 21.390 8.925 2.206 1.00 0.00 C ATOM 1951 C LYS B 56 21.641 8.837 0.694 1.00 0.00 C ATOM 1952 O LYS B 56 21.051 9.558 -0.084 1.00 0.00 O ATOM 1953 CB LYS B 56 22.689 8.636 2.965 1.00 0.00 C ATOM 1954 CG LYS B 56 22.754 9.510 4.219 1.00 0.00 C ATOM 1955 CD LYS B 56 23.575 8.797 5.295 1.00 0.00 C ATOM 1956 CE LYS B 56 23.368 9.493 6.642 1.00 0.00 C ATOM 1957 NZ LYS B 56 22.972 8.485 7.666 1.00 0.00 N ATOM 0 H LYS B 56 19.493 8.368 3.008 1.00 0.00 H new ATOM 0 HA LYS B 56 21.045 9.932 2.441 1.00 0.00 H new ATOM 0 HB2 LYS B 56 22.735 7.582 3.241 1.00 0.00 H new ATOM 0 HB3 LYS B 56 23.548 8.836 2.325 1.00 0.00 H new ATOM 0 HG2 LYS B 56 23.205 10.473 3.981 1.00 0.00 H new ATOM 0 HG3 LYS B 56 21.748 9.711 4.588 1.00 0.00 H new ATOM 0 HD2 LYS B 56 23.274 7.752 5.364 1.00 0.00 H new ATOM 0 HD3 LYS B 56 24.632 8.807 5.027 1.00 0.00 H new ATOM 0 HE2 LYS B 56 24.285 9.997 6.948 1.00 0.00 H new ATOM 0 HE3 LYS B 56 22.598 10.259 6.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 22.831 8.957 8.582 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 22.087 8.024 7.375 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 23.722 7.770 7.757 1.00 0.00 H new ATOM 1971 N TRP B 57 22.528 7.970 0.277 1.00 0.00 N ATOM 1972 CA TRP B 57 22.845 7.834 -1.178 1.00 0.00 C ATOM 1973 C TRP B 57 21.563 7.804 -2.024 1.00 0.00 C ATOM 1974 O TRP B 57 21.573 8.173 -3.182 1.00 0.00 O ATOM 1975 CB TRP B 57 23.652 6.553 -1.385 1.00 0.00 C ATOM 1976 CG TRP B 57 22.828 5.393 -1.001 1.00 0.00 C ATOM 1977 CD1 TRP B 57 22.950 4.649 0.118 1.00 0.00 C ATOM 1978 CD2 TRP B 57 21.815 4.779 -1.799 1.00 0.00 C ATOM 1979 NE1 TRP B 57 22.024 3.620 0.065 1.00 0.00 N ATOM 1980 CE2 TRP B 57 21.287 3.665 -1.101 1.00 0.00 C ATOM 1981 CE3 TRP B 57 21.300 5.098 -3.067 1.00 0.00 C ATOM 1982 CZ2 TRP B 57 20.263 2.884 -1.653 1.00 0.00 C ATOM 1983 CZ3 TRP B 57 20.298 4.316 -3.641 1.00 0.00 C ATOM 1984 CH2 TRP B 57 19.770 3.207 -2.938 1.00 0.00 C ATOM 0 H TRP B 57 23.052 7.344 0.889 1.00 0.00 H new ATOM 0 HA TRP B 57 23.428 8.697 -1.501 1.00 0.00 H new ATOM 0 HB2 TRP B 57 23.959 6.467 -2.427 1.00 0.00 H new ATOM 0 HB3 TRP B 57 24.562 6.582 -0.786 1.00 0.00 H new ATOM 0 HD1 TRP B 57 23.651 4.826 0.920 1.00 0.00 H new ATOM 0 HE1 TRP B 57 21.902 2.918 0.795 1.00 0.00 H new ATOM 0 HE3 TRP B 57 21.683 5.955 -3.601 1.00 0.00 H new ATOM 0 HZ2 TRP B 57 19.856 2.047 -1.105 1.00 0.00 H new ATOM 0 HZ3 TRP B 57 19.924 4.557 -4.625 1.00 0.00 H new ATOM 0 HH2 TRP B 57 18.990 2.607 -3.383 1.00 0.00 H new ATOM 1995 N VAL B 58 20.465 7.372 -1.469 1.00 0.00 N ATOM 1996 CA VAL B 58 19.201 7.333 -2.275 1.00 0.00 C ATOM 1997 C VAL B 58 18.882 8.726 -2.810 1.00 0.00 C ATOM 1998 O VAL B 58 18.667 8.903 -3.987 1.00 0.00 O ATOM 1999 CB VAL B 58 18.009 6.851 -1.440 1.00 0.00 C ATOM 2000 CG1 VAL B 58 17.892 5.343 -1.564 1.00 0.00 C ATOM 2001 CG2 VAL B 58 18.175 7.238 0.023 1.00 0.00 C ATOM 0 H VAL B 58 20.382 7.047 -0.506 1.00 0.00 H new ATOM 0 HA VAL B 58 19.362 6.633 -3.095 1.00 0.00 H new ATOM 0 HB VAL B 58 17.103 7.327 -1.815 1.00 0.00 H new ATOM 0 HG11 VAL B 58 17.046 4.994 -0.972 1.00 0.00 H new ATOM 0 HG12 VAL B 58 17.739 5.075 -2.609 1.00 0.00 H new ATOM 0 HG13 VAL B 58 18.807 4.876 -1.200 1.00 0.00 H new ATOM 0 HG21 VAL B 58 17.316 6.884 0.593 1.00 0.00 H new ATOM 0 HG22 VAL B 58 19.084 6.785 0.418 1.00 0.00 H new ATOM 0 HG23 VAL B 58 18.244 8.323 0.107 1.00 0.00 H new ATOM 2011 N ARG B 59 18.836 9.712 -1.958 1.00 0.00 N ATOM 2012 CA ARG B 59 18.519 11.087 -2.430 1.00 0.00 C ATOM 2013 C ARG B 59 19.637 11.571 -3.351 1.00 0.00 C ATOM 2014 O ARG B 59 19.414 12.329 -4.273 1.00 0.00 O ATOM 2015 CB ARG B 59 18.402 12.028 -1.230 1.00 0.00 C ATOM 2016 CG ARG B 59 17.215 11.607 -0.361 1.00 0.00 C ATOM 2017 CD ARG B 59 17.200 12.438 0.923 1.00 0.00 C ATOM 2018 NE ARG B 59 16.819 11.569 2.073 1.00 0.00 N ATOM 2019 CZ ARG B 59 15.748 11.839 2.769 1.00 0.00 C ATOM 2020 NH1 ARG B 59 14.730 12.423 2.199 1.00 0.00 N ATOM 2021 NH2 ARG B 59 15.695 11.524 4.034 1.00 0.00 N ATOM 0 H ARG B 59 19.004 9.624 -0.956 1.00 0.00 H new ATOM 0 HA ARG B 59 17.574 11.078 -2.973 1.00 0.00 H new ATOM 0 HB2 ARG B 59 19.321 12.003 -0.645 1.00 0.00 H new ATOM 0 HB3 ARG B 59 18.269 13.055 -1.572 1.00 0.00 H new ATOM 0 HG2 ARG B 59 16.283 11.747 -0.908 1.00 0.00 H new ATOM 0 HG3 ARG B 59 17.286 10.547 -0.119 1.00 0.00 H new ATOM 0 HD2 ARG B 59 18.182 12.878 1.096 1.00 0.00 H new ATOM 0 HD3 ARG B 59 16.494 13.263 0.827 1.00 0.00 H new ATOM 0 HE ARG B 59 17.395 10.763 2.316 1.00 0.00 H new ATOM 0 HH11 ARG B 59 14.771 12.668 1.210 1.00 0.00 H new ATOM 0 HH12 ARG B 59 13.893 12.634 2.743 1.00 0.00 H new ATOM 0 HH21 ARG B 59 16.491 11.067 4.479 1.00 0.00 H new ATOM 0 HH22 ARG B 59 14.858 11.735 4.578 1.00 0.00 H new ATOM 2035 N GLU B 60 20.842 11.130 -3.112 1.00 0.00 N ATOM 2036 CA GLU B 60 21.973 11.558 -3.980 1.00 0.00 C ATOM 2037 C GLU B 60 21.701 11.094 -5.411 1.00 0.00 C ATOM 2038 O GLU B 60 22.189 11.668 -6.365 1.00 0.00 O ATOM 2039 CB GLU B 60 23.273 10.930 -3.474 1.00 0.00 C ATOM 2040 CG GLU B 60 24.009 11.927 -2.577 1.00 0.00 C ATOM 2041 CD GLU B 60 25.317 12.351 -3.248 1.00 0.00 C ATOM 2042 OE1 GLU B 60 25.390 12.272 -4.463 1.00 0.00 O ATOM 2043 OE2 GLU B 60 26.225 12.748 -2.534 1.00 0.00 O ATOM 0 H GLU B 60 21.091 10.493 -2.355 1.00 0.00 H new ATOM 0 HA GLU B 60 22.068 12.644 -3.956 1.00 0.00 H new ATOM 0 HB2 GLU B 60 23.056 10.017 -2.919 1.00 0.00 H new ATOM 0 HB3 GLU B 60 23.905 10.648 -4.316 1.00 0.00 H new ATOM 0 HG2 GLU B 60 23.382 12.800 -2.395 1.00 0.00 H new ATOM 0 HG3 GLU B 60 24.216 11.475 -1.607 1.00 0.00 H new ATOM 2050 N TYR B 61 20.921 10.060 -5.566 1.00 0.00 N ATOM 2051 CA TYR B 61 20.607 9.557 -6.933 1.00 0.00 C ATOM 2052 C TYR B 61 19.297 10.183 -7.414 1.00 0.00 C ATOM 2053 O TYR B 61 19.096 10.390 -8.593 1.00 0.00 O ATOM 2054 CB TYR B 61 20.469 8.028 -6.903 1.00 0.00 C ATOM 2055 CG TYR B 61 21.738 7.369 -6.379 1.00 0.00 C ATOM 2056 CD1 TYR B 61 22.926 8.120 -6.175 1.00 0.00 C ATOM 2057 CD2 TYR B 61 21.733 5.982 -6.098 1.00 0.00 C ATOM 2058 CE1 TYR B 61 24.091 7.486 -5.689 1.00 0.00 C ATOM 2059 CE2 TYR B 61 22.900 5.352 -5.612 1.00 0.00 C ATOM 2060 CZ TYR B 61 24.077 6.104 -5.407 1.00 0.00 C ATOM 2061 OH TYR B 61 25.216 5.486 -4.933 1.00 0.00 O ATOM 0 H TYR B 61 20.487 9.541 -4.803 1.00 0.00 H new ATOM 0 HA TYR B 61 21.413 9.830 -7.615 1.00 0.00 H new ATOM 0 HB2 TYR B 61 19.625 7.749 -6.273 1.00 0.00 H new ATOM 0 HB3 TYR B 61 20.253 7.660 -7.906 1.00 0.00 H new ATOM 0 HD1 TYR B 61 22.939 9.178 -6.392 1.00 0.00 H new ATOM 0 HD2 TYR B 61 20.835 5.404 -6.256 1.00 0.00 H new ATOM 0 HE1 TYR B 61 24.993 8.060 -5.533 1.00 0.00 H new ATOM 0 HE2 TYR B 61 22.892 4.294 -5.397 1.00 0.00 H new ATOM 0 HH TYR B 61 25.745 6.128 -4.414 1.00 0.00 H new ATOM 2071 N ILE B 62 18.405 10.495 -6.511 1.00 0.00 N ATOM 2072 CA ILE B 62 17.116 11.117 -6.930 1.00 0.00 C ATOM 2073 C ILE B 62 17.428 12.448 -7.632 1.00 0.00 C ATOM 2074 O ILE B 62 17.030 12.675 -8.757 1.00 0.00 O ATOM 2075 CB ILE B 62 16.223 11.322 -5.683 1.00 0.00 C ATOM 2076 CG1 ILE B 62 15.349 10.079 -5.484 1.00 0.00 C ATOM 2077 CG2 ILE B 62 15.303 12.543 -5.840 1.00 0.00 C ATOM 2078 CD1 ILE B 62 16.210 8.908 -5.011 1.00 0.00 C ATOM 0 H ILE B 62 18.513 10.347 -5.508 1.00 0.00 H new ATOM 0 HA ILE B 62 16.575 10.475 -7.625 1.00 0.00 H new ATOM 0 HB ILE B 62 16.875 11.486 -4.825 1.00 0.00 H new ATOM 0 HG12 ILE B 62 14.568 10.286 -4.752 1.00 0.00 H new ATOM 0 HG13 ILE B 62 14.850 9.821 -6.418 1.00 0.00 H new ATOM 0 HG21 ILE B 62 14.691 12.655 -4.945 1.00 0.00 H new ATOM 0 HG22 ILE B 62 15.908 13.439 -5.980 1.00 0.00 H new ATOM 0 HG23 ILE B 62 14.656 12.402 -6.706 1.00 0.00 H new ATOM 0 HD11 ILE B 62 15.582 8.028 -4.872 1.00 0.00 H new ATOM 0 HD12 ILE B 62 16.975 8.694 -5.758 1.00 0.00 H new ATOM 0 HD13 ILE B 62 16.688 9.166 -4.066 1.00 0.00 H new ATOM 2090 N ASN B 63 18.139 13.324 -6.976 1.00 0.00 N ATOM 2091 CA ASN B 63 18.475 14.632 -7.606 1.00 0.00 C ATOM 2092 C ASN B 63 19.383 14.395 -8.815 1.00 0.00 C ATOM 2093 O ASN B 63 19.212 14.993 -9.859 1.00 0.00 O ATOM 2094 CB ASN B 63 19.199 15.517 -6.589 1.00 0.00 C ATOM 2095 CG ASN B 63 18.357 15.628 -5.316 1.00 0.00 C ATOM 2096 OD1 ASN B 63 17.239 15.155 -5.270 1.00 0.00 O ATOM 2097 ND2 ASN B 63 18.851 16.240 -4.274 1.00 0.00 N ATOM 0 H ASN B 63 18.501 13.191 -6.032 1.00 0.00 H new ATOM 0 HA ASN B 63 17.559 15.127 -7.930 1.00 0.00 H new ATOM 0 HB2 ASN B 63 20.177 15.095 -6.355 1.00 0.00 H new ATOM 0 HB3 ASN B 63 19.372 16.507 -7.011 1.00 0.00 H new ATOM 0 HD21 ASN B 63 18.298 16.321 -3.421 1.00 0.00 H new ATOM 0 HD22 ASN B 63 19.790 16.637 -4.313 1.00 0.00 H new ATOM 2104 N SER B 64 20.346 13.524 -8.682 1.00 0.00 N ATOM 2105 CA SER B 64 21.264 13.247 -9.823 1.00 0.00 C ATOM 2106 C SER B 64 20.453 12.748 -11.023 1.00 0.00 C ATOM 2107 O SER B 64 20.885 12.839 -12.155 1.00 0.00 O ATOM 2108 CB SER B 64 22.278 12.178 -9.413 1.00 0.00 C ATOM 2109 OG SER B 64 23.309 12.774 -8.641 1.00 0.00 O ATOM 0 H SER B 64 20.537 12.992 -7.833 1.00 0.00 H new ATOM 0 HA SER B 64 21.790 14.162 -10.096 1.00 0.00 H new ATOM 0 HB2 SER B 64 21.784 11.395 -8.837 1.00 0.00 H new ATOM 0 HB3 SER B 64 22.700 11.704 -10.299 1.00 0.00 H new ATOM 0 HG SER B 64 23.181 12.549 -7.696 1.00 0.00 H new ATOM 2115 N LEU B 65 19.282 12.223 -10.785 1.00 0.00 N ATOM 2116 CA LEU B 65 18.449 11.720 -11.912 1.00 0.00 C ATOM 2117 C LEU B 65 17.672 12.885 -12.529 1.00 0.00 C ATOM 2118 O LEU B 65 17.200 13.765 -11.836 1.00 0.00 O ATOM 2119 CB LEU B 65 17.465 10.671 -11.391 1.00 0.00 C ATOM 2120 CG LEU B 65 18.182 9.325 -11.249 1.00 0.00 C ATOM 2121 CD1 LEU B 65 17.548 8.528 -10.108 1.00 0.00 C ATOM 2122 CD2 LEU B 65 18.053 8.540 -12.556 1.00 0.00 C ATOM 0 H LEU B 65 18.867 12.121 -9.859 1.00 0.00 H new ATOM 0 HA LEU B 65 19.093 11.270 -12.668 1.00 0.00 H new ATOM 0 HB2 LEU B 65 17.060 10.983 -10.428 1.00 0.00 H new ATOM 0 HB3 LEU B 65 16.622 10.576 -12.075 1.00 0.00 H new ATOM 0 HG LEU B 65 19.236 9.494 -11.030 1.00 0.00 H new ATOM 0 HD11 LEU B 65 18.058 7.570 -10.006 1.00 0.00 H new ATOM 0 HD12 LEU B 65 17.640 9.089 -9.178 1.00 0.00 H new ATOM 0 HD13 LEU B 65 16.494 8.357 -10.326 1.00 0.00 H new ATOM 0 HD21 LEU B 65 18.563 7.582 -12.457 1.00 0.00 H new ATOM 0 HD22 LEU B 65 16.999 8.369 -12.775 1.00 0.00 H new ATOM 0 HD23 LEU B 65 18.505 9.109 -13.368 1.00 0.00 H new ATOM 2134 N GLU B 66 17.537 12.900 -13.826 1.00 0.00 N ATOM 2135 CA GLU B 66 16.792 14.010 -14.485 1.00 0.00 C ATOM 2136 C GLU B 66 15.382 13.537 -14.844 1.00 0.00 C ATOM 2137 O GLU B 66 15.200 12.514 -15.472 1.00 0.00 O ATOM 2138 CB GLU B 66 17.528 14.431 -15.759 1.00 0.00 C ATOM 2139 CG GLU B 66 18.047 15.862 -15.597 1.00 0.00 C ATOM 2140 CD GLU B 66 18.836 16.262 -16.845 1.00 0.00 C ATOM 2141 OE1 GLU B 66 18.209 16.561 -17.848 1.00 0.00 O ATOM 2142 OE2 GLU B 66 20.055 16.263 -16.776 1.00 0.00 O ATOM 0 H GLU B 66 17.910 12.192 -14.458 1.00 0.00 H new ATOM 0 HA GLU B 66 16.728 14.859 -13.804 1.00 0.00 H new ATOM 0 HB2 GLU B 66 18.358 13.751 -15.954 1.00 0.00 H new ATOM 0 HB3 GLU B 66 16.858 14.370 -16.616 1.00 0.00 H new ATOM 0 HG2 GLU B 66 17.213 16.548 -15.445 1.00 0.00 H new ATOM 0 HG3 GLU B 66 18.682 15.932 -14.714 1.00 0.00 H new ATOM 2149 N MET B 67 14.381 14.276 -14.448 1.00 0.00 N ATOM 2150 CA MET B 67 12.984 13.870 -14.766 1.00 0.00 C ATOM 2151 C MET B 67 12.822 13.749 -16.283 1.00 0.00 C ATOM 2152 O MET B 67 12.666 14.732 -16.981 1.00 0.00 O ATOM 2153 CB MET B 67 12.013 14.924 -14.232 1.00 0.00 C ATOM 2154 CG MET B 67 10.605 14.330 -14.157 1.00 0.00 C ATOM 2155 SD MET B 67 10.532 13.118 -12.815 1.00 0.00 S ATOM 2156 CE MET B 67 8.777 12.707 -12.975 1.00 0.00 C ATOM 0 H MET B 67 14.471 15.143 -13.918 1.00 0.00 H new ATOM 0 HA MET B 67 12.769 12.909 -14.299 1.00 0.00 H new ATOM 0 HB2 MET B 67 12.331 15.259 -13.245 1.00 0.00 H new ATOM 0 HB3 MET B 67 12.016 15.799 -14.882 1.00 0.00 H new ATOM 0 HG2 MET B 67 9.874 15.120 -13.988 1.00 0.00 H new ATOM 0 HG3 MET B 67 10.348 13.856 -15.104 1.00 0.00 H new ATOM 0 HE1 MET B 67 8.509 11.960 -12.228 1.00 0.00 H new ATOM 0 HE2 MET B 67 8.178 13.605 -12.823 1.00 0.00 H new ATOM 0 HE3 MET B 67 8.586 12.308 -13.971 1.00 0.00 H new ATOM 2166 N SER B 68 12.855 12.551 -16.799 1.00 0.00 N ATOM 2167 CA SER B 68 12.702 12.369 -18.270 1.00 0.00 C ATOM 2168 C SER B 68 11.214 12.285 -18.621 1.00 0.00 C ATOM 2169 O SER B 68 10.893 12.435 -19.789 1.00 0.00 O ATOM 2170 CB SER B 68 13.401 11.078 -18.699 1.00 0.00 C ATOM 2171 OG SER B 68 14.604 11.395 -19.382 1.00 0.00 O ATOM 2172 OXT SER B 68 10.423 12.073 -17.718 1.00 0.00 O ATOM 0 H SER B 68 12.981 11.691 -16.266 1.00 0.00 H new ATOM 0 HA SER B 68 13.151 13.215 -18.790 1.00 0.00 H new ATOM 0 HB2 SER B 68 13.617 10.462 -17.826 1.00 0.00 H new ATOM 0 HB3 SER B 68 12.746 10.495 -19.346 1.00 0.00 H new ATOM 0 HG SER B 68 15.053 10.568 -19.655 1.00 0.00 H new TER 2178 SER B 68