USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1040 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 44 THR OG1 : rot 146:sc= 1.16 USER MOD Set 1.2: B 47 SER OG : rot -77:sc= 0.431! USER MOD Set 2.1: A 44 THR OG1 : rot 146:sc= 1.22 USER MOD Set 2.2: A 47 SER OG : rot -79:sc= 0.3! USER MOD Single : A 1 ALA N :NH3+ -139:sc= -3.75! (180deg=-7.02!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -31:sc= -0.212 USER MOD Single : A 14 SER OG : rot -86:sc= 1.56 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.289! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -3.93! K(o=-3.9!,f=-1.5) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 19:sc= -1.17 USER MOD Single : A 32 SER OG : rot 150:sc= 0.236 USER MOD Single : A 33 SER OG : rot 180:sc= -0.136 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -4.12! C(o=-4.1!,f=-13!) USER MOD Single : A 45 LYS NZ :NH3+ -121:sc= -2.17 (180deg=-4.03!) USER MOD Single : A 48 LYS NZ :NH3+ -160:sc= -0.0557 (180deg=-0.385) USER MOD Single : A 49 GLN : amide:sc= -0.0183 K(o=-0.018,f=-1.7!) USER MOD Single : A 55 SER OG : rot 180:sc= 0.00108 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.532 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -2.48! C(o=-2.5!,f=-1.9!) USER MOD Single : B 1 ALA N :NH3+ -146:sc= -3.85! (180deg=-7.36!) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 171:sc= -0.746 USER MOD Single : B 14 SER OG : rot -86:sc= 1.61 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.236! USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 ASN : amide:sc= -4.1! K(o=-4.1!,f=-1.4) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 23:sc= -1.03 USER MOD Single : B 32 SER OG : rot 150:sc= 0.208 USER MOD Single : B 33 SER OG : rot 180:sc= -0.125 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 43 GLN : amide:sc= -4.14! C(o=-4.1!,f=-13!) USER MOD Single : B 45 LYS NZ :NH3+ -122:sc= -2.06 (180deg=-3.95!) USER MOD Single : B 48 LYS NZ :NH3+ -159:sc= -0.0481 (180deg=-0.379) USER MOD Single : B 49 GLN : amide:sc= -0.0104 K(o=-0.01,f=-1.7!) USER MOD Single : B 55 SER OG : rot 180:sc= 0.00276 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : B 62 TYR OH : rot 0:sc= -0.49 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 ASN : amide:sc= -2.73! C(o=-2.7!,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.336 17.577 -11.711 1.00 0.00 N ATOM 2 CA ALA A 1 -8.887 18.394 -10.551 1.00 0.00 C ATOM 3 C ALA A 1 -9.233 17.682 -9.225 1.00 0.00 C ATOM 4 O ALA A 1 -8.399 17.617 -8.343 1.00 0.00 O ATOM 5 CB ALA A 1 -9.546 19.792 -10.618 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.611 17.604 -12.456 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.484 16.594 -11.407 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.228 17.962 -12.082 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.804 18.515 -10.592 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.217 20.390 -9.768 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.256 20.287 -11.545 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.630 19.685 -10.588 1.00 0.00 H new ATOM 13 N PRO A 2 -10.446 17.177 -9.100 1.00 0.00 N ATOM 14 CA PRO A 2 -10.863 16.494 -7.860 1.00 0.00 C ATOM 15 C PRO A 2 -10.095 15.173 -7.711 1.00 0.00 C ATOM 16 O PRO A 2 -10.197 14.287 -8.536 1.00 0.00 O ATOM 17 CB PRO A 2 -12.383 16.253 -8.032 1.00 0.00 C ATOM 18 CG PRO A 2 -12.780 16.773 -9.445 1.00 0.00 C ATOM 19 CD PRO A 2 -11.487 17.240 -10.149 1.00 0.00 C ATOM 0 HA PRO A 2 -10.654 17.076 -6.962 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -12.617 15.193 -7.933 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.945 16.777 -7.258 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.267 15.985 -10.020 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -13.491 17.595 -9.365 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -11.240 16.595 -10.992 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.593 18.251 -10.542 1.00 0.00 H new ATOM 27 N MET A 3 -9.327 15.037 -6.664 1.00 0.00 N ATOM 28 CA MET A 3 -8.555 13.778 -6.462 1.00 0.00 C ATOM 29 C MET A 3 -9.480 12.698 -5.896 1.00 0.00 C ATOM 30 O MET A 3 -10.581 12.977 -5.462 1.00 0.00 O ATOM 31 CB MET A 3 -7.411 14.035 -5.480 1.00 0.00 C ATOM 32 CG MET A 3 -7.985 14.519 -4.146 1.00 0.00 C ATOM 33 SD MET A 3 -6.656 15.214 -3.133 1.00 0.00 S ATOM 34 CE MET A 3 -7.706 16.143 -1.989 1.00 0.00 C ATOM 0 H MET A 3 -9.201 15.744 -5.940 1.00 0.00 H new ATOM 0 HA MET A 3 -8.148 13.444 -7.416 1.00 0.00 H new ATOM 0 HB2 MET A 3 -6.834 13.123 -5.330 1.00 0.00 H new ATOM 0 HB3 MET A 3 -6.728 14.781 -5.887 1.00 0.00 H new ATOM 0 HG2 MET A 3 -8.755 15.271 -4.321 1.00 0.00 H new ATOM 0 HG3 MET A 3 -8.462 13.691 -3.621 1.00 0.00 H new ATOM 0 HE1 MET A 3 -7.082 16.661 -1.261 1.00 0.00 H new ATOM 0 HE2 MET A 3 -8.295 16.872 -2.546 1.00 0.00 H new ATOM 0 HE3 MET A 3 -8.375 15.456 -1.470 1.00 0.00 H new ATOM 44 N GLY A 4 -9.042 11.468 -5.892 1.00 0.00 N ATOM 45 CA GLY A 4 -9.900 10.376 -5.350 1.00 0.00 C ATOM 46 C GLY A 4 -10.389 10.763 -3.953 1.00 0.00 C ATOM 47 O GLY A 4 -10.082 11.827 -3.452 1.00 0.00 O ATOM 0 H GLY A 4 -8.130 11.173 -6.240 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.750 10.204 -6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.337 9.444 -5.305 1.00 0.00 H new ATOM 51 N SER A 5 -11.154 9.913 -3.317 1.00 0.00 N ATOM 52 CA SER A 5 -11.666 10.245 -1.953 1.00 0.00 C ATOM 53 C SER A 5 -10.648 9.797 -0.888 1.00 0.00 C ATOM 54 O SER A 5 -10.076 10.609 -0.189 1.00 0.00 O ATOM 55 CB SER A 5 -13.026 9.559 -1.740 1.00 0.00 C ATOM 56 OG SER A 5 -13.989 10.543 -1.384 1.00 0.00 O ATOM 0 H SER A 5 -11.446 9.006 -3.682 1.00 0.00 H new ATOM 0 HA SER A 5 -11.800 11.323 -1.860 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.334 9.042 -2.649 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.949 8.806 -0.956 1.00 0.00 H new ATOM 0 HG SER A 5 -14.860 10.114 -1.248 1.00 0.00 H new ATOM 62 N ASP A 6 -10.413 8.516 -0.759 1.00 0.00 N ATOM 63 CA ASP A 6 -9.428 8.036 0.262 1.00 0.00 C ATOM 64 C ASP A 6 -8.912 6.641 -0.129 1.00 0.00 C ATOM 65 O ASP A 6 -9.226 5.670 0.529 1.00 0.00 O ATOM 66 CB ASP A 6 -10.105 7.960 1.642 1.00 0.00 C ATOM 67 CG ASP A 6 -9.037 7.950 2.740 1.00 0.00 C ATOM 68 OD1 ASP A 6 -8.182 8.821 2.716 1.00 0.00 O ATOM 69 OD2 ASP A 6 -9.092 7.072 3.585 1.00 0.00 O ATOM 0 H ASP A 6 -10.857 7.783 -1.313 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.592 8.734 0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.772 8.811 1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.717 7.061 1.709 1.00 0.00 H new ATOM 74 N PRO A 7 -8.139 6.571 -1.191 1.00 0.00 N ATOM 75 CA PRO A 7 -7.594 5.281 -1.658 1.00 0.00 C ATOM 76 C PRO A 7 -6.636 4.698 -0.593 1.00 0.00 C ATOM 77 O PRO A 7 -6.287 5.383 0.349 1.00 0.00 O ATOM 78 CB PRO A 7 -6.847 5.621 -2.972 1.00 0.00 C ATOM 79 CG PRO A 7 -6.967 7.159 -3.197 1.00 0.00 C ATOM 80 CD PRO A 7 -7.753 7.744 -2.003 1.00 0.00 C ATOM 0 HA PRO A 7 -8.364 4.528 -1.823 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.800 5.324 -2.905 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.280 5.076 -3.811 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.979 7.614 -3.266 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.481 7.370 -4.135 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.140 8.438 -1.428 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.630 8.297 -2.340 1.00 0.00 H new ATOM 88 N PRO A 8 -6.234 3.451 -0.767 1.00 0.00 N ATOM 89 CA PRO A 8 -5.317 2.788 0.185 1.00 0.00 C ATOM 90 C PRO A 8 -3.950 3.494 0.184 1.00 0.00 C ATOM 91 O PRO A 8 -3.828 4.633 -0.223 1.00 0.00 O ATOM 92 CB PRO A 8 -5.193 1.334 -0.333 1.00 0.00 C ATOM 93 CG PRO A 8 -5.916 1.268 -1.709 1.00 0.00 C ATOM 94 CD PRO A 8 -6.657 2.609 -1.909 1.00 0.00 C ATOM 0 HA PRO A 8 -5.682 2.821 1.211 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.145 1.051 -0.436 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.644 0.636 0.372 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.198 1.103 -2.512 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.618 0.435 -1.734 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.390 3.070 -2.860 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.738 2.466 -1.916 1.00 0.00 H new ATOM 102 N THR A 9 -2.925 2.820 0.638 1.00 0.00 N ATOM 103 CA THR A 9 -1.569 3.443 0.665 1.00 0.00 C ATOM 104 C THR A 9 -0.500 2.351 0.683 1.00 0.00 C ATOM 105 O THR A 9 -0.516 1.461 1.510 1.00 0.00 O ATOM 106 CB THR A 9 -1.431 4.305 1.919 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.592 5.110 2.065 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.196 5.199 1.796 1.00 0.00 C ATOM 0 H THR A 9 -2.969 1.864 0.991 1.00 0.00 H new ATOM 0 HA THR A 9 -1.440 4.062 -0.223 1.00 0.00 H new ATOM 0 HB THR A 9 -1.321 3.663 2.793 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.955 5.324 1.180 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.100 5.813 2.692 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.693 4.578 1.685 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.299 5.844 0.924 1.00 0.00 H new ATOM 116 N ALA A 10 0.430 2.417 -0.226 1.00 0.00 N ATOM 117 CA ALA A 10 1.509 1.392 -0.274 1.00 0.00 C ATOM 118 C ALA A 10 2.436 1.555 0.930 1.00 0.00 C ATOM 119 O ALA A 10 3.493 2.145 0.832 1.00 0.00 O ATOM 120 CB ALA A 10 2.314 1.574 -1.558 1.00 0.00 C ATOM 0 H ALA A 10 0.490 3.141 -0.942 1.00 0.00 H new ATOM 0 HA ALA A 10 1.064 0.397 -0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.106 0.826 -1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.657 1.455 -2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.755 2.571 -1.573 1.00 0.00 H new ATOM 126 N CYS A 11 2.051 1.027 2.066 1.00 0.00 N ATOM 127 CA CYS A 11 2.908 1.131 3.289 1.00 0.00 C ATOM 128 C CYS A 11 3.491 -0.248 3.599 1.00 0.00 C ATOM 129 O CYS A 11 2.825 -1.256 3.473 1.00 0.00 O ATOM 130 CB CYS A 11 2.054 1.608 4.468 1.00 0.00 C ATOM 131 SG CYS A 11 1.138 3.094 3.985 1.00 0.00 S ATOM 0 H CYS A 11 1.173 0.525 2.200 1.00 0.00 H new ATOM 0 HA CYS A 11 3.716 1.843 3.121 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.361 0.823 4.771 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.689 1.822 5.328 1.00 0.00 H new ATOM 136 N CYS A 12 4.734 -0.307 3.995 1.00 0.00 N ATOM 137 CA CYS A 12 5.356 -1.626 4.300 1.00 0.00 C ATOM 138 C CYS A 12 4.819 -2.152 5.633 1.00 0.00 C ATOM 139 O CYS A 12 4.544 -1.397 6.543 1.00 0.00 O ATOM 140 CB CYS A 12 6.876 -1.469 4.388 1.00 0.00 C ATOM 141 SG CYS A 12 7.536 -1.065 2.751 1.00 0.00 S ATOM 0 H CYS A 12 5.344 0.501 4.120 1.00 0.00 H new ATOM 0 HA CYS A 12 5.110 -2.332 3.507 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.131 -0.683 5.099 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.327 -2.390 4.757 1.00 0.00 H new ATOM 146 N PHE A 13 4.673 -3.447 5.752 1.00 0.00 N ATOM 147 CA PHE A 13 4.159 -4.046 7.023 1.00 0.00 C ATOM 148 C PHE A 13 5.328 -4.664 7.790 1.00 0.00 C ATOM 149 O PHE A 13 5.251 -4.912 8.977 1.00 0.00 O ATOM 150 CB PHE A 13 3.144 -5.141 6.692 1.00 0.00 C ATOM 151 CG PHE A 13 3.834 -6.244 5.927 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.122 -6.077 4.560 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.195 -7.438 6.582 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.770 -7.102 3.846 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.844 -8.464 5.869 1.00 0.00 C ATOM 156 CZ PHE A 13 5.132 -8.296 4.500 1.00 0.00 C ATOM 0 H PHE A 13 4.889 -4.121 5.018 1.00 0.00 H new ATOM 0 HA PHE A 13 3.683 -3.274 7.628 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.706 -5.537 7.609 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.326 -4.729 6.101 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.846 -5.161 4.058 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.974 -7.566 7.631 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.990 -6.973 2.796 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.121 -9.379 6.371 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.630 -9.082 3.952 1.00 0.00 H new ATOM 166 N SER A 14 6.414 -4.916 7.111 1.00 0.00 N ATOM 167 CA SER A 14 7.599 -5.522 7.779 1.00 0.00 C ATOM 168 C SER A 14 8.853 -5.155 6.986 1.00 0.00 C ATOM 169 O SER A 14 8.868 -4.189 6.248 1.00 0.00 O ATOM 170 CB SER A 14 7.446 -7.043 7.817 1.00 0.00 C ATOM 171 OG SER A 14 7.493 -7.551 6.491 1.00 0.00 O ATOM 0 H SER A 14 6.531 -4.726 6.116 1.00 0.00 H new ATOM 0 HA SER A 14 7.681 -5.146 8.799 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.241 -7.485 8.417 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.502 -7.314 8.290 1.00 0.00 H new ATOM 0 HG SER A 14 6.597 -7.519 6.096 1.00 0.00 H new ATOM 177 N TYR A 15 9.909 -5.909 7.128 1.00 0.00 N ATOM 178 CA TYR A 15 11.159 -5.585 6.378 1.00 0.00 C ATOM 179 C TYR A 15 11.988 -6.855 6.188 1.00 0.00 C ATOM 180 O TYR A 15 11.875 -7.803 6.939 1.00 0.00 O ATOM 181 CB TYR A 15 11.981 -4.557 7.168 1.00 0.00 C ATOM 182 CG TYR A 15 11.059 -3.536 7.789 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.638 -2.418 7.044 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.616 -3.706 9.115 1.00 0.00 C ATOM 185 CE1 TYR A 15 9.776 -1.470 7.625 1.00 0.00 C ATOM 186 CE2 TYR A 15 9.753 -2.757 9.696 1.00 0.00 C ATOM 187 CZ TYR A 15 9.334 -1.638 8.951 1.00 0.00 C ATOM 188 OH TYR A 15 8.488 -0.708 9.521 1.00 0.00 O ATOM 0 H TYR A 15 9.962 -6.732 7.728 1.00 0.00 H new ATOM 0 HA TYR A 15 10.896 -5.172 5.404 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.559 -5.059 7.944 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.694 -4.063 6.508 1.00 0.00 H new ATOM 0 HD1 TYR A 15 10.977 -2.288 6.027 1.00 0.00 H new ATOM 0 HD2 TYR A 15 10.938 -4.564 9.686 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.453 -0.613 7.053 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.413 -2.887 10.713 1.00 0.00 H new ATOM 0 HH TYR A 15 8.279 -0.976 10.440 1.00 0.00 H new ATOM 198 N THR A 16 12.830 -6.872 5.193 1.00 0.00 N ATOM 199 CA THR A 16 13.677 -8.073 4.961 1.00 0.00 C ATOM 200 C THR A 16 14.523 -8.330 6.211 1.00 0.00 C ATOM 201 O THR A 16 14.252 -7.800 7.270 1.00 0.00 O ATOM 202 CB THR A 16 14.580 -7.830 3.746 1.00 0.00 C ATOM 203 OG1 THR A 16 15.513 -8.892 3.622 1.00 0.00 O ATOM 204 CG2 THR A 16 15.327 -6.506 3.913 1.00 0.00 C ATOM 0 H THR A 16 12.968 -6.107 4.532 1.00 0.00 H new ATOM 0 HA THR A 16 13.052 -8.944 4.765 1.00 0.00 H new ATOM 0 HB THR A 16 13.965 -7.785 2.847 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.087 -8.734 2.844 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.967 -6.338 3.047 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.608 -5.691 3.997 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.939 -6.544 4.814 1.00 0.00 H new ATOM 212 N ALA A 17 15.544 -9.136 6.103 1.00 0.00 N ATOM 213 CA ALA A 17 16.405 -9.425 7.288 1.00 0.00 C ATOM 214 C ALA A 17 17.852 -9.577 6.825 1.00 0.00 C ATOM 215 O ALA A 17 18.693 -10.097 7.532 1.00 0.00 O ATOM 216 CB ALA A 17 15.942 -10.726 7.946 1.00 0.00 C ATOM 0 H ALA A 17 15.821 -9.609 5.243 1.00 0.00 H new ATOM 0 HA ALA A 17 16.331 -8.609 8.007 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.569 -10.939 8.812 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.905 -10.623 8.266 1.00 0.00 H new ATOM 0 HB3 ALA A 17 16.021 -11.544 7.230 1.00 0.00 H new ATOM 222 N ARG A 18 18.149 -9.119 5.636 1.00 0.00 N ATOM 223 CA ARG A 18 19.541 -9.226 5.105 1.00 0.00 C ATOM 224 C ARG A 18 19.877 -7.960 4.313 1.00 0.00 C ATOM 225 O ARG A 18 19.150 -7.562 3.424 1.00 0.00 O ATOM 226 CB ARG A 18 19.638 -10.446 4.184 1.00 0.00 C ATOM 227 CG ARG A 18 19.785 -11.714 5.029 1.00 0.00 C ATOM 228 CD ARG A 18 19.509 -12.939 4.164 1.00 0.00 C ATOM 229 NE ARG A 18 20.551 -13.044 3.103 1.00 0.00 N ATOM 230 CZ ARG A 18 20.692 -14.157 2.436 1.00 0.00 C ATOM 231 NH1 ARG A 18 19.919 -15.176 2.696 1.00 0.00 N ATOM 232 NH2 ARG A 18 21.606 -14.250 1.509 1.00 0.00 N ATOM 0 H ARG A 18 17.482 -8.673 5.006 1.00 0.00 H new ATOM 0 HA ARG A 18 20.244 -9.337 5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.748 -10.514 3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.491 -10.342 3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.790 -11.770 5.447 1.00 0.00 H new ATOM 0 HG3 ARG A 18 19.091 -11.686 5.869 1.00 0.00 H new ATOM 0 HD2 ARG A 18 19.509 -13.839 4.779 1.00 0.00 H new ATOM 0 HD3 ARG A 18 18.520 -12.862 3.711 1.00 0.00 H new ATOM 0 HE ARG A 18 21.153 -12.247 2.898 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.205 -15.103 3.420 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.029 -16.046 2.175 1.00 0.00 H new ATOM 0 HH21 ARG A 18 22.210 -13.453 1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 18 21.717 -15.120 0.987 1.00 0.00 H new ATOM 246 N LYS A 19 20.977 -7.330 4.619 1.00 0.00 N ATOM 247 CA LYS A 19 21.363 -6.100 3.873 1.00 0.00 C ATOM 248 C LYS A 19 21.586 -6.478 2.405 1.00 0.00 C ATOM 249 O LYS A 19 22.349 -7.369 2.090 1.00 0.00 O ATOM 250 CB LYS A 19 22.653 -5.528 4.495 1.00 0.00 C ATOM 251 CG LYS A 19 23.209 -4.325 3.675 1.00 0.00 C ATOM 252 CD LYS A 19 24.731 -4.414 3.535 1.00 0.00 C ATOM 253 CE LYS A 19 25.396 -4.247 4.905 1.00 0.00 C ATOM 254 NZ LYS A 19 26.810 -4.712 4.829 1.00 0.00 N ATOM 0 H LYS A 19 21.625 -7.614 5.354 1.00 0.00 H new ATOM 0 HA LYS A 19 20.582 -5.342 3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.452 -5.209 5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 19 23.409 -6.312 4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 19 22.749 -4.310 2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.939 -3.390 4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 19 25.009 -5.375 3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 19 25.087 -3.642 2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 19 25.361 -3.202 5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 19 24.853 -4.820 5.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 27.263 -4.599 5.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 26.831 -5.714 4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 27.324 -4.147 4.123 1.00 0.00 H new ATOM 268 N LEU A 20 20.917 -5.808 1.506 1.00 0.00 N ATOM 269 CA LEU A 20 21.078 -6.127 0.060 1.00 0.00 C ATOM 270 C LEU A 20 22.455 -5.623 -0.431 1.00 0.00 C ATOM 271 O LEU A 20 22.711 -4.439 -0.343 1.00 0.00 O ATOM 272 CB LEU A 20 19.992 -5.402 -0.739 1.00 0.00 C ATOM 273 CG LEU A 20 18.620 -5.611 -0.095 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.544 -5.060 -1.033 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.370 -7.105 0.139 1.00 0.00 C ATOM 0 H LEU A 20 20.264 -5.052 1.712 1.00 0.00 H new ATOM 0 HA LEU A 20 21.000 -7.205 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.219 -4.337 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.979 -5.772 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 20 18.587 -5.092 0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.561 -5.204 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.715 -3.996 -1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.588 -5.587 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.391 -7.243 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.402 -7.633 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.140 -7.504 0.800 1.00 0.00 H new ATOM 287 N PRO A 21 23.310 -6.493 -0.949 1.00 0.00 N ATOM 288 CA PRO A 21 24.626 -6.045 -1.447 1.00 0.00 C ATOM 289 C PRO A 21 24.442 -4.937 -2.487 1.00 0.00 C ATOM 290 O PRO A 21 23.492 -4.937 -3.242 1.00 0.00 O ATOM 291 CB PRO A 21 25.261 -7.300 -2.087 1.00 0.00 C ATOM 292 CG PRO A 21 24.361 -8.511 -1.719 1.00 0.00 C ATOM 293 CD PRO A 21 23.070 -7.951 -1.084 1.00 0.00 C ATOM 0 HA PRO A 21 25.254 -5.635 -0.656 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.330 -7.187 -3.169 1.00 0.00 H new ATOM 0 HB3 PRO A 21 26.275 -7.449 -1.717 1.00 0.00 H new ATOM 0 HG2 PRO A 21 24.128 -9.100 -2.606 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.875 -9.174 -1.023 1.00 0.00 H new ATOM 0 HD2 PRO A 21 22.202 -8.152 -1.712 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.875 -8.410 -0.115 1.00 0.00 H new ATOM 301 N ARG A 22 25.353 -4.004 -2.547 1.00 0.00 N ATOM 302 CA ARG A 22 25.234 -2.920 -3.561 1.00 0.00 C ATOM 303 C ARG A 22 24.991 -3.566 -4.928 1.00 0.00 C ATOM 304 O ARG A 22 24.279 -3.044 -5.763 1.00 0.00 O ATOM 305 CB ARG A 22 26.539 -2.110 -3.586 1.00 0.00 C ATOM 306 CG ARG A 22 26.552 -1.132 -4.771 1.00 0.00 C ATOM 307 CD ARG A 22 25.304 -0.243 -4.746 1.00 0.00 C ATOM 308 NE ARG A 22 25.046 0.230 -3.357 1.00 0.00 N ATOM 309 CZ ARG A 22 24.233 1.230 -3.153 1.00 0.00 C ATOM 310 NH1 ARG A 22 23.658 1.818 -4.164 1.00 0.00 N ATOM 311 NH2 ARG A 22 24.000 1.643 -1.937 1.00 0.00 N ATOM 0 H ARG A 22 26.171 -3.946 -1.940 1.00 0.00 H new ATOM 0 HA ARG A 22 24.408 -2.253 -3.317 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.648 -1.558 -2.652 1.00 0.00 H new ATOM 0 HB3 ARG A 22 27.391 -2.786 -3.658 1.00 0.00 H new ATOM 0 HG2 ARG A 22 27.448 -0.513 -4.729 1.00 0.00 H new ATOM 0 HG3 ARG A 22 26.592 -1.687 -5.708 1.00 0.00 H new ATOM 0 HD2 ARG A 22 25.441 0.610 -5.410 1.00 0.00 H new ATOM 0 HD3 ARG A 22 24.443 -0.800 -5.116 1.00 0.00 H new ATOM 0 HE ARG A 22 25.504 -0.226 -2.568 1.00 0.00 H new ATOM 0 HH11 ARG A 22 23.844 1.496 -5.114 1.00 0.00 H new ATOM 0 HH12 ARG A 22 23.022 2.600 -4.005 1.00 0.00 H new ATOM 0 HH21 ARG A 22 24.453 1.184 -1.147 1.00 0.00 H new ATOM 0 HH22 ARG A 22 23.365 2.425 -1.777 1.00 0.00 H new ATOM 325 N ASN A 23 25.583 -4.709 -5.154 1.00 0.00 N ATOM 326 CA ASN A 23 25.397 -5.407 -6.457 1.00 0.00 C ATOM 327 C ASN A 23 23.980 -5.980 -6.540 1.00 0.00 C ATOM 328 O ASN A 23 23.692 -6.819 -7.370 1.00 0.00 O ATOM 329 CB ASN A 23 26.413 -6.545 -6.572 1.00 0.00 C ATOM 330 CG ASN A 23 26.329 -7.167 -7.966 1.00 0.00 C ATOM 331 OD1 ASN A 23 26.926 -8.194 -8.224 1.00 0.00 O ATOM 332 ND2 ASN A 23 25.608 -6.584 -8.885 1.00 0.00 N ATOM 0 H ASN A 23 26.189 -5.190 -4.489 1.00 0.00 H new ATOM 0 HA ASN A 23 25.546 -4.697 -7.271 1.00 0.00 H new ATOM 0 HB2 ASN A 23 27.419 -6.167 -6.391 1.00 0.00 H new ATOM 0 HB3 ASN A 23 26.215 -7.301 -5.812 1.00 0.00 H new ATOM 0 HD21 ASN A 23 25.546 -6.990 -9.819 1.00 0.00 H new ATOM 0 HD22 ASN A 23 25.107 -5.722 -8.669 1.00 0.00 H new ATOM 339 N PHE A 24 23.093 -5.542 -5.682 1.00 0.00 N ATOM 340 CA PHE A 24 21.692 -6.070 -5.705 1.00 0.00 C ATOM 341 C PHE A 24 20.715 -4.917 -5.442 1.00 0.00 C ATOM 342 O PHE A 24 19.634 -5.112 -4.924 1.00 0.00 O ATOM 343 CB PHE A 24 21.548 -7.142 -4.609 1.00 0.00 C ATOM 344 CG PHE A 24 20.380 -8.063 -4.905 1.00 0.00 C ATOM 345 CD1 PHE A 24 20.367 -8.835 -6.087 1.00 0.00 C ATOM 346 CD2 PHE A 24 19.308 -8.163 -3.993 1.00 0.00 C ATOM 347 CE1 PHE A 24 19.287 -9.699 -6.353 1.00 0.00 C ATOM 348 CE2 PHE A 24 18.229 -9.028 -4.262 1.00 0.00 C ATOM 349 CZ PHE A 24 18.220 -9.795 -5.441 1.00 0.00 C ATOM 0 H PHE A 24 23.278 -4.840 -4.965 1.00 0.00 H new ATOM 0 HA PHE A 24 21.470 -6.511 -6.677 1.00 0.00 H new ATOM 0 HB2 PHE A 24 22.467 -7.724 -4.540 1.00 0.00 H new ATOM 0 HB3 PHE A 24 21.402 -6.662 -3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 24 21.186 -8.763 -6.788 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.315 -7.575 -3.087 1.00 0.00 H new ATOM 0 HE1 PHE A 24 19.278 -10.288 -7.258 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.409 -9.102 -3.563 1.00 0.00 H new ATOM 0 HZ PHE A 24 17.393 -10.458 -5.646 1.00 0.00 H new ATOM 359 N VAL A 25 21.091 -3.718 -5.804 1.00 0.00 N ATOM 360 CA VAL A 25 20.194 -2.542 -5.587 1.00 0.00 C ATOM 361 C VAL A 25 20.456 -1.504 -6.681 1.00 0.00 C ATOM 362 O VAL A 25 21.289 -0.631 -6.534 1.00 0.00 O ATOM 363 CB VAL A 25 20.486 -1.914 -4.222 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.494 -0.783 -3.953 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.345 -2.972 -3.127 1.00 0.00 C ATOM 0 H VAL A 25 21.986 -3.501 -6.243 1.00 0.00 H new ATOM 0 HA VAL A 25 19.154 -2.868 -5.621 1.00 0.00 H new ATOM 0 HB VAL A 25 21.502 -1.519 -4.222 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.705 -0.338 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.590 -0.023 -4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.479 -1.180 -3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.554 -2.521 -2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 25 19.330 -3.368 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 25 21.051 -3.782 -3.310 1.00 0.00 H new ATOM 375 N VAL A 26 19.758 -1.594 -7.781 1.00 0.00 N ATOM 376 CA VAL A 26 19.969 -0.617 -8.884 1.00 0.00 C ATOM 377 C VAL A 26 19.148 0.643 -8.623 1.00 0.00 C ATOM 378 O VAL A 26 19.331 1.656 -9.268 1.00 0.00 O ATOM 379 CB VAL A 26 19.526 -1.246 -10.206 1.00 0.00 C ATOM 380 CG1 VAL A 26 20.429 -2.433 -10.532 1.00 0.00 C ATOM 381 CG2 VAL A 26 18.078 -1.726 -10.088 1.00 0.00 C ATOM 0 H VAL A 26 19.049 -2.305 -7.962 1.00 0.00 H new ATOM 0 HA VAL A 26 21.025 -0.353 -8.936 1.00 0.00 H new ATOM 0 HB VAL A 26 19.597 -0.503 -11.001 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.114 -2.882 -11.474 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.461 -2.092 -10.620 1.00 0.00 H new ATOM 0 HG13 VAL A 26 20.358 -3.174 -9.735 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.765 -2.174 -11.031 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.004 -2.467 -9.292 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.432 -0.879 -9.856 1.00 0.00 H new ATOM 391 N ASP A 27 18.243 0.593 -7.689 1.00 0.00 N ATOM 392 CA ASP A 27 17.416 1.797 -7.404 1.00 0.00 C ATOM 393 C ASP A 27 16.613 1.571 -6.129 1.00 0.00 C ATOM 394 O ASP A 27 16.803 0.595 -5.428 1.00 0.00 O ATOM 395 CB ASP A 27 16.457 2.040 -8.572 1.00 0.00 C ATOM 396 CG ASP A 27 15.839 3.434 -8.446 1.00 0.00 C ATOM 397 OD1 ASP A 27 16.514 4.316 -7.942 1.00 0.00 O ATOM 398 OD2 ASP A 27 14.700 3.594 -8.854 1.00 0.00 O ATOM 0 H ASP A 27 18.040 -0.224 -7.113 1.00 0.00 H new ATOM 0 HA ASP A 27 18.065 2.664 -7.276 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.991 1.952 -9.518 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.673 1.283 -8.576 1.00 0.00 H new ATOM 403 N TYR A 28 15.713 2.461 -5.818 1.00 0.00 N ATOM 404 CA TYR A 28 14.899 2.289 -4.586 1.00 0.00 C ATOM 405 C TYR A 28 13.587 3.055 -4.716 1.00 0.00 C ATOM 406 O TYR A 28 13.273 3.616 -5.747 1.00 0.00 O ATOM 407 CB TYR A 28 15.679 2.783 -3.363 1.00 0.00 C ATOM 408 CG TYR A 28 15.751 4.298 -3.345 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.423 4.990 -4.373 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.155 5.018 -2.288 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.496 6.396 -4.345 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.230 6.421 -2.258 1.00 0.00 C ATOM 413 CZ TYR A 28 15.901 7.112 -3.287 1.00 0.00 C ATOM 414 OH TYR A 28 15.976 8.490 -3.259 1.00 0.00 O ATOM 0 H TYR A 28 15.507 3.298 -6.363 1.00 0.00 H new ATOM 0 HA TYR A 28 14.678 1.230 -4.455 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.199 2.427 -2.452 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.686 2.367 -3.376 1.00 0.00 H new ATOM 0 HD1 TYR A 28 16.882 4.442 -5.182 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.640 4.489 -1.500 1.00 0.00 H new ATOM 0 HE1 TYR A 28 17.008 6.926 -5.135 1.00 0.00 H new ATOM 0 HE2 TYR A 28 14.774 6.969 -1.447 1.00 0.00 H new ATOM 0 HH TYR A 28 15.514 8.827 -2.463 1.00 0.00 H new ATOM 424 N TYR A 29 12.815 3.059 -3.675 1.00 0.00 N ATOM 425 CA TYR A 29 11.507 3.757 -3.708 1.00 0.00 C ATOM 426 C TYR A 29 11.050 3.995 -2.262 1.00 0.00 C ATOM 427 O TYR A 29 11.105 3.109 -1.437 1.00 0.00 O ATOM 428 CB TYR A 29 10.513 2.863 -4.469 1.00 0.00 C ATOM 429 CG TYR A 29 9.088 3.256 -4.155 1.00 0.00 C ATOM 430 CD1 TYR A 29 8.682 4.591 -4.313 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.172 2.285 -3.704 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.356 4.963 -4.020 1.00 0.00 C ATOM 433 CE2 TYR A 29 6.845 2.655 -3.412 1.00 0.00 C ATOM 434 CZ TYR A 29 6.437 3.994 -3.569 1.00 0.00 C ATOM 435 OH TYR A 29 5.138 4.358 -3.282 1.00 0.00 O ATOM 0 H TYR A 29 13.036 2.603 -2.790 1.00 0.00 H new ATOM 0 HA TYR A 29 11.573 4.721 -4.213 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.690 2.946 -5.541 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.675 1.820 -4.199 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.387 5.332 -4.659 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.487 1.259 -3.583 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.043 5.990 -4.141 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.140 1.912 -3.068 1.00 0.00 H new ATOM 0 HH TYR A 29 4.636 3.571 -2.985 1.00 0.00 H new ATOM 445 N GLU A 30 10.613 5.183 -1.938 1.00 0.00 N ATOM 446 CA GLU A 30 10.169 5.457 -0.534 1.00 0.00 C ATOM 447 C GLU A 30 8.658 5.224 -0.414 1.00 0.00 C ATOM 448 O GLU A 30 7.927 5.286 -1.383 1.00 0.00 O ATOM 449 CB GLU A 30 10.496 6.907 -0.170 1.00 0.00 C ATOM 450 CG GLU A 30 11.993 7.040 0.116 1.00 0.00 C ATOM 451 CD GLU A 30 12.371 8.521 0.184 1.00 0.00 C ATOM 452 OE1 GLU A 30 11.941 9.262 -0.684 1.00 0.00 O ATOM 453 OE2 GLU A 30 13.084 8.889 1.104 1.00 0.00 O ATOM 0 H GLU A 30 10.543 5.974 -2.579 1.00 0.00 H new ATOM 0 HA GLU A 30 10.690 4.785 0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.211 7.570 -0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.920 7.212 0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.239 6.548 1.057 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.569 6.542 -0.665 1.00 0.00 H new ATOM 460 N THR A 31 8.192 4.947 0.773 1.00 0.00 N ATOM 461 CA THR A 31 6.734 4.695 0.979 1.00 0.00 C ATOM 462 C THR A 31 5.949 6.004 0.900 1.00 0.00 C ATOM 463 O THR A 31 6.442 7.017 0.445 1.00 0.00 O ATOM 464 CB THR A 31 6.528 4.077 2.363 1.00 0.00 C ATOM 465 OG1 THR A 31 7.209 4.865 3.323 1.00 0.00 O ATOM 466 CG2 THR A 31 7.076 2.649 2.372 1.00 0.00 C ATOM 0 H THR A 31 8.762 4.884 1.617 1.00 0.00 H new ATOM 0 HA THR A 31 6.378 4.020 0.201 1.00 0.00 H new ATOM 0 HB THR A 31 5.465 4.048 2.604 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.389 5.753 2.949 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.929 2.209 3.358 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.550 2.053 1.627 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.140 2.666 2.137 1.00 0.00 H new ATOM 474 N SER A 32 4.722 5.982 1.352 1.00 0.00 N ATOM 475 CA SER A 32 3.878 7.208 1.323 1.00 0.00 C ATOM 476 C SER A 32 4.099 8.010 2.605 1.00 0.00 C ATOM 477 O SER A 32 5.203 8.125 3.100 1.00 0.00 O ATOM 478 CB SER A 32 2.408 6.803 1.231 1.00 0.00 C ATOM 479 OG SER A 32 1.628 7.940 0.884 1.00 0.00 O ATOM 0 H SER A 32 4.267 5.157 1.743 1.00 0.00 H new ATOM 0 HA SER A 32 4.149 7.817 0.461 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.281 6.019 0.484 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.071 6.394 2.184 1.00 0.00 H new ATOM 0 HG SER A 32 0.843 7.654 0.372 1.00 0.00 H new ATOM 485 N SER A 33 3.050 8.565 3.140 1.00 0.00 N ATOM 486 CA SER A 33 3.168 9.370 4.394 1.00 0.00 C ATOM 487 C SER A 33 1.912 9.163 5.235 1.00 0.00 C ATOM 488 O SER A 33 1.960 9.115 6.448 1.00 0.00 O ATOM 489 CB SER A 33 3.281 10.845 4.029 1.00 0.00 C ATOM 490 OG SER A 33 1.984 11.363 3.765 1.00 0.00 O ATOM 0 H SER A 33 2.105 8.497 2.761 1.00 0.00 H new ATOM 0 HA SER A 33 4.049 9.057 4.955 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.748 11.399 4.844 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.919 10.967 3.154 1.00 0.00 H new ATOM 0 HG SER A 33 2.052 12.312 3.531 1.00 0.00 H new ATOM 496 N LEU A 34 0.787 9.051 4.584 1.00 0.00 N ATOM 497 CA LEU A 34 -0.506 8.853 5.304 1.00 0.00 C ATOM 498 C LEU A 34 -0.322 7.885 6.475 1.00 0.00 C ATOM 499 O LEU A 34 -0.615 8.203 7.610 1.00 0.00 O ATOM 500 CB LEU A 34 -1.541 8.270 4.340 1.00 0.00 C ATOM 501 CG LEU A 34 -1.471 8.990 2.992 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.631 8.524 2.110 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.568 10.504 3.212 1.00 0.00 C ATOM 0 H LEU A 34 0.706 9.089 3.568 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.845 9.817 5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.360 7.204 4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.540 8.371 4.763 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.525 8.758 2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.585 9.035 1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.559 7.448 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.577 8.757 2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.518 11.015 2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.513 10.741 3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.742 10.834 3.842 1.00 0.00 H new ATOM 515 N CYS A 35 0.156 6.706 6.204 1.00 0.00 N ATOM 516 CA CYS A 35 0.352 5.717 7.298 1.00 0.00 C ATOM 517 C CYS A 35 1.499 6.180 8.201 1.00 0.00 C ATOM 518 O CYS A 35 2.565 6.527 7.742 1.00 0.00 O ATOM 519 CB CYS A 35 0.666 4.339 6.701 1.00 0.00 C ATOM 520 SG CYS A 35 1.766 4.519 5.275 1.00 0.00 S ATOM 0 H CYS A 35 0.420 6.383 5.273 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.559 5.641 7.891 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.134 3.705 7.454 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.258 3.845 6.398 1.00 0.00 H new ATOM 525 N SER A 36 1.271 6.214 9.483 1.00 0.00 N ATOM 526 CA SER A 36 2.327 6.670 10.432 1.00 0.00 C ATOM 527 C SER A 36 3.514 5.693 10.457 1.00 0.00 C ATOM 528 O SER A 36 4.154 5.533 11.478 1.00 0.00 O ATOM 529 CB SER A 36 1.732 6.771 11.835 1.00 0.00 C ATOM 530 OG SER A 36 1.314 5.480 12.262 1.00 0.00 O ATOM 0 H SER A 36 0.390 5.943 9.920 1.00 0.00 H new ATOM 0 HA SER A 36 2.689 7.643 10.100 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.471 7.174 12.528 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.886 7.458 11.835 1.00 0.00 H new ATOM 0 HG SER A 36 0.933 5.541 13.163 1.00 0.00 H new ATOM 536 N GLN A 37 3.826 5.032 9.369 1.00 0.00 N ATOM 537 CA GLN A 37 4.982 4.080 9.402 1.00 0.00 C ATOM 538 C GLN A 37 5.598 3.909 8.005 1.00 0.00 C ATOM 539 O GLN A 37 5.570 2.825 7.462 1.00 0.00 O ATOM 540 CB GLN A 37 4.504 2.717 9.915 1.00 0.00 C ATOM 541 CG GLN A 37 3.220 2.299 9.189 1.00 0.00 C ATOM 542 CD GLN A 37 2.714 0.977 9.770 1.00 0.00 C ATOM 543 OE1 GLN A 37 2.334 0.912 10.921 1.00 0.00 O ATOM 544 NE2 GLN A 37 2.694 -0.088 9.015 1.00 0.00 N ATOM 0 H GLN A 37 3.341 5.107 8.475 1.00 0.00 H new ATOM 0 HA GLN A 37 5.743 4.487 10.067 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.280 1.968 9.757 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.323 2.767 10.989 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.459 3.072 9.299 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.412 2.190 8.122 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.013 -0.034 8.048 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.359 -0.974 9.392 1.00 0.00 H new ATOM 553 N PRO A 38 6.163 4.970 7.465 1.00 0.00 N ATOM 554 CA PRO A 38 6.809 4.908 6.138 1.00 0.00 C ATOM 555 C PRO A 38 8.070 4.038 6.232 1.00 0.00 C ATOM 556 O PRO A 38 8.450 3.586 7.292 1.00 0.00 O ATOM 557 CB PRO A 38 7.167 6.376 5.807 1.00 0.00 C ATOM 558 CG PRO A 38 6.885 7.224 7.083 1.00 0.00 C ATOM 559 CD PRO A 38 6.200 6.299 8.115 1.00 0.00 C ATOM 0 HA PRO A 38 6.173 4.470 5.368 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.214 6.459 5.515 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.572 6.736 4.968 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.813 7.628 7.487 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.244 8.073 6.845 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.759 6.267 9.050 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.196 6.650 8.356 1.00 0.00 H new ATOM 567 N ALA A 39 8.716 3.808 5.127 1.00 0.00 N ATOM 568 CA ALA A 39 9.948 2.982 5.128 1.00 0.00 C ATOM 569 C ALA A 39 10.628 3.136 3.771 1.00 0.00 C ATOM 570 O ALA A 39 10.041 3.644 2.835 1.00 0.00 O ATOM 571 CB ALA A 39 9.577 1.514 5.357 1.00 0.00 C ATOM 0 H ALA A 39 8.438 4.162 4.212 1.00 0.00 H new ATOM 0 HA ALA A 39 10.621 3.305 5.923 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.482 0.906 5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.070 1.412 6.317 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.914 1.177 4.560 1.00 0.00 H new ATOM 577 N VAL A 40 11.848 2.692 3.640 1.00 0.00 N ATOM 578 CA VAL A 40 12.546 2.805 2.324 1.00 0.00 C ATOM 579 C VAL A 40 12.415 1.466 1.608 1.00 0.00 C ATOM 580 O VAL A 40 12.510 0.416 2.213 1.00 0.00 O ATOM 581 CB VAL A 40 14.028 3.139 2.545 1.00 0.00 C ATOM 582 CG1 VAL A 40 14.824 2.866 1.264 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.157 4.617 2.905 1.00 0.00 C ATOM 0 H VAL A 40 12.392 2.256 4.385 1.00 0.00 H new ATOM 0 HA VAL A 40 12.101 3.600 1.725 1.00 0.00 H new ATOM 0 HB VAL A 40 14.420 2.519 3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.874 3.106 1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.730 1.814 0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.434 3.484 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.207 4.863 3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.761 5.225 2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.595 4.820 3.817 1.00 0.00 H new ATOM 593 N VAL A 41 12.186 1.501 0.323 1.00 0.00 N ATOM 594 CA VAL A 41 12.029 0.236 -0.462 1.00 0.00 C ATOM 595 C VAL A 41 13.161 0.125 -1.484 1.00 0.00 C ATOM 596 O VAL A 41 13.304 0.951 -2.358 1.00 0.00 O ATOM 597 CB VAL A 41 10.677 0.257 -1.177 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.305 -1.157 -1.615 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.607 0.782 -0.216 1.00 0.00 C ATOM 0 H VAL A 41 12.100 2.358 -0.224 1.00 0.00 H new ATOM 0 HA VAL A 41 12.071 -0.624 0.207 1.00 0.00 H new ATOM 0 HB VAL A 41 10.741 0.904 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.341 -1.139 -2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.067 -1.540 -2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.241 -1.804 -0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.641 0.799 -0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.549 0.130 0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.868 1.791 0.102 1.00 0.00 H new ATOM 609 N PHE A 42 13.978 -0.890 -1.378 1.00 0.00 N ATOM 610 CA PHE A 42 15.111 -1.041 -2.341 1.00 0.00 C ATOM 611 C PHE A 42 14.677 -1.876 -3.547 1.00 0.00 C ATOM 612 O PHE A 42 14.061 -2.913 -3.414 1.00 0.00 O ATOM 613 CB PHE A 42 16.282 -1.745 -1.648 1.00 0.00 C ATOM 614 CG PHE A 42 16.977 -0.785 -0.710 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.644 0.343 -1.227 1.00 0.00 C ATOM 616 CD2 PHE A 42 16.965 -1.020 0.678 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.299 1.235 -0.356 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.619 -0.129 1.547 1.00 0.00 C ATOM 619 CZ PHE A 42 18.286 0.998 1.032 1.00 0.00 C ATOM 0 H PHE A 42 13.911 -1.620 -0.668 1.00 0.00 H new ATOM 0 HA PHE A 42 15.415 -0.050 -2.679 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.920 -2.611 -1.094 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.987 -2.115 -2.392 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.653 0.524 -2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.454 -1.884 1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.811 2.100 -0.752 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.609 -0.310 2.612 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.788 1.681 1.701 1.00 0.00 H new ATOM 629 N GLN A 43 15.029 -1.435 -4.724 1.00 0.00 N ATOM 630 CA GLN A 43 14.685 -2.193 -5.961 1.00 0.00 C ATOM 631 C GLN A 43 15.914 -3.024 -6.338 1.00 0.00 C ATOM 632 O GLN A 43 16.994 -2.485 -6.512 1.00 0.00 O ATOM 633 CB GLN A 43 14.345 -1.198 -7.073 1.00 0.00 C ATOM 634 CG GLN A 43 13.100 -0.394 -6.678 1.00 0.00 C ATOM 635 CD GLN A 43 12.996 0.855 -7.555 1.00 0.00 C ATOM 636 OE1 GLN A 43 13.638 1.852 -7.290 1.00 0.00 O ATOM 637 NE2 GLN A 43 12.210 0.843 -8.596 1.00 0.00 N ATOM 0 H GLN A 43 15.547 -0.571 -4.883 1.00 0.00 H new ATOM 0 HA GLN A 43 13.825 -2.845 -5.809 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.186 -0.526 -7.243 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.166 -1.729 -8.008 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.207 -1.008 -6.794 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.157 -0.109 -5.627 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.671 0.006 -8.819 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.134 1.671 -9.188 1.00 0.00 H new ATOM 646 N THR A 44 15.789 -4.336 -6.415 1.00 0.00 N ATOM 647 CA THR A 44 16.998 -5.181 -6.718 1.00 0.00 C ATOM 648 C THR A 44 17.064 -5.580 -8.191 1.00 0.00 C ATOM 649 O THR A 44 16.483 -4.953 -9.055 1.00 0.00 O ATOM 650 CB THR A 44 16.948 -6.451 -5.872 1.00 0.00 C ATOM 651 OG1 THR A 44 16.099 -7.396 -6.500 1.00 0.00 O ATOM 652 CG2 THR A 44 16.404 -6.113 -4.482 1.00 0.00 C ATOM 0 H THR A 44 14.918 -4.850 -6.284 1.00 0.00 H new ATOM 0 HA THR A 44 17.882 -4.588 -6.485 1.00 0.00 H new ATOM 0 HB THR A 44 17.950 -6.870 -5.775 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.445 -8.300 -6.345 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.367 -7.018 -3.876 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.056 -5.382 -4.004 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.401 -5.698 -4.575 1.00 0.00 H new ATOM 660 N LYS A 45 17.800 -6.631 -8.469 1.00 0.00 N ATOM 661 CA LYS A 45 17.966 -7.119 -9.872 1.00 0.00 C ATOM 662 C LYS A 45 17.240 -8.455 -10.051 1.00 0.00 C ATOM 663 O LYS A 45 16.894 -8.836 -11.152 1.00 0.00 O ATOM 664 CB LYS A 45 19.453 -7.341 -10.148 1.00 0.00 C ATOM 665 CG LYS A 45 20.250 -6.113 -9.709 1.00 0.00 C ATOM 666 CD LYS A 45 21.743 -6.366 -9.941 1.00 0.00 C ATOM 667 CE LYS A 45 22.487 -5.033 -9.952 1.00 0.00 C ATOM 668 NZ LYS A 45 22.296 -4.343 -8.645 1.00 0.00 N ATOM 0 H LYS A 45 18.300 -7.179 -7.769 1.00 0.00 H new ATOM 0 HA LYS A 45 17.552 -6.380 -10.558 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.804 -8.224 -9.613 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.611 -7.528 -11.210 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.927 -5.236 -10.270 1.00 0.00 H new ATOM 0 HG3 LYS A 45 20.065 -5.903 -8.656 1.00 0.00 H new ATOM 0 HD2 LYS A 45 22.140 -7.010 -9.157 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.892 -6.886 -10.887 1.00 0.00 H new ATOM 0 HE2 LYS A 45 23.549 -5.199 -10.135 1.00 0.00 H new ATOM 0 HE3 LYS A 45 22.118 -4.406 -10.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 21.850 -3.417 -8.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 21.686 -4.922 -8.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 23.219 -4.208 -8.185 1.00 0.00 H new ATOM 682 N ARG A 46 17.026 -9.182 -8.977 1.00 0.00 N ATOM 683 CA ARG A 46 16.342 -10.515 -9.074 1.00 0.00 C ATOM 684 C ARG A 46 15.156 -10.539 -8.106 1.00 0.00 C ATOM 685 O ARG A 46 14.987 -11.449 -7.324 1.00 0.00 O ATOM 686 CB ARG A 46 17.354 -11.621 -8.709 1.00 0.00 C ATOM 687 CG ARG A 46 16.928 -12.993 -9.285 1.00 0.00 C ATOM 688 CD ARG A 46 15.892 -13.690 -8.385 1.00 0.00 C ATOM 689 NE ARG A 46 15.964 -15.161 -8.609 1.00 0.00 N ATOM 690 CZ ARG A 46 15.420 -15.976 -7.749 1.00 0.00 C ATOM 691 NH1 ARG A 46 14.820 -15.503 -6.691 1.00 0.00 N ATOM 692 NH2 ARG A 46 15.479 -17.265 -7.944 1.00 0.00 N ATOM 0 H ARG A 46 17.297 -8.908 -8.033 1.00 0.00 H new ATOM 0 HA ARG A 46 15.976 -10.684 -10.087 1.00 0.00 H new ATOM 0 HB2 ARG A 46 18.339 -11.355 -9.092 1.00 0.00 H new ATOM 0 HB3 ARG A 46 17.442 -11.692 -7.625 1.00 0.00 H new ATOM 0 HG2 ARG A 46 16.510 -12.855 -10.282 1.00 0.00 H new ATOM 0 HG3 ARG A 46 17.805 -13.631 -9.392 1.00 0.00 H new ATOM 0 HD2 ARG A 46 16.087 -13.459 -7.338 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.891 -13.324 -8.611 1.00 0.00 H new ATOM 0 HE ARG A 46 16.438 -15.530 -9.433 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.777 -14.496 -6.537 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.394 -16.141 -6.018 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.951 -17.635 -8.769 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.053 -17.903 -7.271 1.00 0.00 H new ATOM 706 N SER A 47 14.327 -9.540 -8.162 1.00 0.00 N ATOM 707 CA SER A 47 13.144 -9.497 -7.274 1.00 0.00 C ATOM 708 C SER A 47 12.230 -8.378 -7.757 1.00 0.00 C ATOM 709 O SER A 47 11.766 -8.381 -8.880 1.00 0.00 O ATOM 710 CB SER A 47 13.574 -9.251 -5.820 1.00 0.00 C ATOM 711 OG SER A 47 14.013 -7.910 -5.671 1.00 0.00 O ATOM 0 H SER A 47 14.422 -8.744 -8.793 1.00 0.00 H new ATOM 0 HA SER A 47 12.616 -10.450 -7.306 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.740 -9.448 -5.146 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.374 -9.938 -5.546 1.00 0.00 H new ATOM 0 HG SER A 47 14.927 -7.825 -6.015 1.00 0.00 H new ATOM 717 N LYS A 48 11.987 -7.418 -6.930 1.00 0.00 N ATOM 718 CA LYS A 48 11.124 -6.279 -7.324 1.00 0.00 C ATOM 719 C LYS A 48 11.457 -5.120 -6.402 1.00 0.00 C ATOM 720 O LYS A 48 12.305 -4.300 -6.691 1.00 0.00 O ATOM 721 CB LYS A 48 9.646 -6.655 -7.156 1.00 0.00 C ATOM 722 CG LYS A 48 9.246 -7.691 -8.213 1.00 0.00 C ATOM 723 CD LYS A 48 7.720 -7.772 -8.300 1.00 0.00 C ATOM 724 CE LYS A 48 7.323 -8.710 -9.441 1.00 0.00 C ATOM 725 NZ LYS A 48 7.662 -8.077 -10.746 1.00 0.00 N ATOM 0 H LYS A 48 12.354 -7.369 -5.980 1.00 0.00 H new ATOM 0 HA LYS A 48 11.296 -6.014 -8.367 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.476 -7.058 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.023 -5.766 -7.252 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.662 -7.416 -9.182 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.658 -8.667 -7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.310 -8.135 -7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.302 -6.780 -8.468 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.844 -9.662 -9.341 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.255 -8.924 -9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.109 -8.526 -11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.437 -7.062 -10.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.677 -8.200 -10.938 1.00 0.00 H new ATOM 739 N GLN A 49 10.808 -5.079 -5.272 1.00 0.00 N ATOM 740 CA GLN A 49 11.067 -4.006 -4.272 1.00 0.00 C ATOM 741 C GLN A 49 11.148 -4.669 -2.889 1.00 0.00 C ATOM 742 O GLN A 49 10.468 -5.643 -2.620 1.00 0.00 O ATOM 743 CB GLN A 49 9.925 -2.960 -4.319 1.00 0.00 C ATOM 744 CG GLN A 49 9.146 -3.090 -5.633 1.00 0.00 C ATOM 745 CD GLN A 49 8.161 -1.927 -5.759 1.00 0.00 C ATOM 746 OE1 GLN A 49 8.200 -0.995 -4.981 1.00 0.00 O ATOM 747 NE2 GLN A 49 7.272 -1.942 -6.716 1.00 0.00 N ATOM 0 H GLN A 49 10.097 -5.756 -4.995 1.00 0.00 H new ATOM 0 HA GLN A 49 12.001 -3.487 -4.488 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.253 -3.105 -3.473 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.338 -1.955 -4.230 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.835 -3.090 -6.478 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.610 -4.039 -5.658 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.239 -2.725 -7.369 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.611 -1.171 -6.810 1.00 0.00 H new ATOM 756 N VAL A 50 11.984 -4.165 -2.019 1.00 0.00 N ATOM 757 CA VAL A 50 12.125 -4.774 -0.658 1.00 0.00 C ATOM 758 C VAL A 50 12.088 -3.674 0.394 1.00 0.00 C ATOM 759 O VAL A 50 12.846 -2.731 0.341 1.00 0.00 O ATOM 760 CB VAL A 50 13.462 -5.516 -0.575 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.486 -6.383 0.687 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.629 -6.395 -1.822 1.00 0.00 C ATOM 0 H VAL A 50 12.579 -3.354 -2.191 1.00 0.00 H new ATOM 0 HA VAL A 50 11.307 -5.473 -0.481 1.00 0.00 H new ATOM 0 HB VAL A 50 14.282 -4.799 -0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.437 -6.912 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.367 -5.750 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.671 -7.106 0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.580 -6.926 -1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.813 -7.116 -1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.613 -5.768 -2.714 1.00 0.00 H new ATOM 772 N CYS A 51 11.212 -3.793 1.351 1.00 0.00 N ATOM 773 CA CYS A 51 11.114 -2.751 2.406 1.00 0.00 C ATOM 774 C CYS A 51 12.327 -2.848 3.327 1.00 0.00 C ATOM 775 O CYS A 51 12.896 -3.906 3.513 1.00 0.00 O ATOM 776 CB CYS A 51 9.835 -2.977 3.213 1.00 0.00 C ATOM 777 SG CYS A 51 8.398 -2.783 2.128 1.00 0.00 S ATOM 0 H CYS A 51 10.558 -4.570 1.447 1.00 0.00 H new ATOM 0 HA CYS A 51 11.088 -1.762 1.949 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.841 -3.974 3.653 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.781 -2.266 4.037 1.00 0.00 H new ATOM 782 N ALA A 52 12.739 -1.744 3.893 1.00 0.00 N ATOM 783 CA ALA A 52 13.932 -1.757 4.792 1.00 0.00 C ATOM 784 C ALA A 52 13.715 -0.781 5.949 1.00 0.00 C ATOM 785 O ALA A 52 13.245 0.326 5.764 1.00 0.00 O ATOM 786 CB ALA A 52 15.164 -1.324 3.994 1.00 0.00 C ATOM 0 H ALA A 52 12.300 -0.831 3.771 1.00 0.00 H new ATOM 0 HA ALA A 52 14.078 -2.762 5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.039 -1.331 4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.322 -2.014 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.010 -0.318 3.604 1.00 0.00 H new ATOM 792 N ASP A 53 14.060 -1.185 7.141 1.00 0.00 N ATOM 793 CA ASP A 53 13.882 -0.287 8.318 1.00 0.00 C ATOM 794 C ASP A 53 14.879 0.894 8.214 1.00 0.00 C ATOM 795 O ASP A 53 16.071 0.659 8.238 1.00 0.00 O ATOM 796 CB ASP A 53 14.184 -1.080 9.594 1.00 0.00 C ATOM 797 CG ASP A 53 13.507 -2.449 9.517 1.00 0.00 C ATOM 798 OD1 ASP A 53 13.813 -3.188 8.596 1.00 0.00 O ATOM 799 OD2 ASP A 53 12.696 -2.735 10.382 1.00 0.00 O ATOM 0 H ASP A 53 14.458 -2.100 7.351 1.00 0.00 H new ATOM 0 HA ASP A 53 12.861 0.093 8.343 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.261 -1.201 9.713 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.826 -0.534 10.467 1.00 0.00 H new ATOM 804 N PRO A 54 14.407 2.131 8.104 1.00 0.00 N ATOM 805 CA PRO A 54 15.330 3.282 8.005 1.00 0.00 C ATOM 806 C PRO A 54 16.207 3.359 9.265 1.00 0.00 C ATOM 807 O PRO A 54 17.135 4.140 9.342 1.00 0.00 O ATOM 808 CB PRO A 54 14.417 4.524 7.886 1.00 0.00 C ATOM 809 CG PRO A 54 12.943 4.028 7.905 1.00 0.00 C ATOM 810 CD PRO A 54 12.968 2.492 8.066 1.00 0.00 C ATOM 0 HA PRO A 54 16.007 3.203 7.154 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.600 5.214 8.710 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.627 5.066 6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.394 4.490 8.726 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.433 4.308 6.983 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.460 2.183 8.979 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.460 2.000 7.236 1.00 0.00 H new ATOM 818 N SER A 55 15.909 2.565 10.253 1.00 0.00 N ATOM 819 CA SER A 55 16.709 2.600 11.511 1.00 0.00 C ATOM 820 C SER A 55 18.030 1.851 11.315 1.00 0.00 C ATOM 821 O SER A 55 18.964 2.020 12.075 1.00 0.00 O ATOM 822 CB SER A 55 15.913 1.941 12.637 1.00 0.00 C ATOM 823 OG SER A 55 15.502 0.644 12.224 1.00 0.00 O ATOM 0 H SER A 55 15.144 1.891 10.245 1.00 0.00 H new ATOM 0 HA SER A 55 16.923 3.637 11.769 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.523 1.872 13.538 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.043 2.548 12.887 1.00 0.00 H new ATOM 0 HG SER A 55 14.993 0.217 12.944 1.00 0.00 H new ATOM 829 N GLU A 56 18.124 1.028 10.306 1.00 0.00 N ATOM 830 CA GLU A 56 19.394 0.280 10.075 1.00 0.00 C ATOM 831 C GLU A 56 20.393 1.195 9.355 1.00 0.00 C ATOM 832 O GLU A 56 20.139 1.693 8.277 1.00 0.00 O ATOM 833 CB GLU A 56 19.109 -0.962 9.226 1.00 0.00 C ATOM 834 CG GLU A 56 18.544 -2.077 10.112 1.00 0.00 C ATOM 835 CD GLU A 56 18.261 -3.314 9.257 1.00 0.00 C ATOM 836 OE1 GLU A 56 17.861 -3.143 8.117 1.00 0.00 O ATOM 837 OE2 GLU A 56 18.448 -4.411 9.758 1.00 0.00 O ATOM 0 H GLU A 56 17.380 0.841 9.634 1.00 0.00 H new ATOM 0 HA GLU A 56 19.818 -0.035 11.029 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.399 -0.718 8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.024 -1.300 8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 56 19.253 -2.323 10.902 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.628 -1.741 10.598 1.00 0.00 H new ATOM 844 N SER A 57 21.516 1.430 9.969 1.00 0.00 N ATOM 845 CA SER A 57 22.548 2.325 9.371 1.00 0.00 C ATOM 846 C SER A 57 22.837 1.965 7.909 1.00 0.00 C ATOM 847 O SER A 57 22.997 2.835 7.077 1.00 0.00 O ATOM 848 CB SER A 57 23.840 2.209 10.180 1.00 0.00 C ATOM 849 OG SER A 57 24.870 2.936 9.526 1.00 0.00 O ATOM 0 H SER A 57 21.769 1.034 10.875 1.00 0.00 H new ATOM 0 HA SER A 57 22.165 3.345 9.397 1.00 0.00 H new ATOM 0 HB2 SER A 57 23.688 2.597 11.187 1.00 0.00 H new ATOM 0 HB3 SER A 57 24.126 1.162 10.282 1.00 0.00 H new ATOM 0 HG SER A 57 25.699 2.865 10.043 1.00 0.00 H new ATOM 855 N TRP A 58 22.934 0.705 7.584 1.00 0.00 N ATOM 856 CA TRP A 58 23.246 0.343 6.172 1.00 0.00 C ATOM 857 C TRP A 58 22.169 0.898 5.245 1.00 0.00 C ATOM 858 O TRP A 58 22.426 1.218 4.102 1.00 0.00 O ATOM 859 CB TRP A 58 23.384 -1.178 6.023 1.00 0.00 C ATOM 860 CG TRP A 58 22.054 -1.862 6.017 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.548 -2.571 7.049 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.080 -1.964 4.936 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.326 -3.100 6.677 1.00 0.00 N ATOM 864 CE2 TRP A 58 19.988 -2.749 5.387 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.040 -1.455 3.619 1.00 0.00 C ATOM 866 CZ2 TRP A 58 18.889 -3.020 4.561 1.00 0.00 C ATOM 867 CZ3 TRP A 58 19.938 -1.726 2.783 1.00 0.00 C ATOM 868 CH2 TRP A 58 18.863 -2.506 3.254 1.00 0.00 C ATOM 0 H TRP A 58 22.813 -0.080 8.224 1.00 0.00 H new ATOM 0 HA TRP A 58 24.201 0.788 5.892 1.00 0.00 H new ATOM 0 HB2 TRP A 58 23.913 -1.405 5.098 1.00 0.00 H new ATOM 0 HB3 TRP A 58 23.989 -1.569 6.841 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.022 -2.703 8.010 1.00 0.00 H new ATOM 0 HE1 TRP A 58 19.745 -3.679 7.283 1.00 0.00 H new ATOM 0 HE3 TRP A 58 21.859 -0.855 3.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.068 -3.619 4.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 19.917 -1.334 1.777 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.020 -2.708 2.610 1.00 0.00 H new ATOM 879 N VAL A 59 20.970 1.044 5.727 1.00 0.00 N ATOM 880 CA VAL A 59 19.895 1.602 4.864 1.00 0.00 C ATOM 881 C VAL A 59 20.187 3.073 4.596 1.00 0.00 C ATOM 882 O VAL A 59 20.125 3.535 3.475 1.00 0.00 O ATOM 883 CB VAL A 59 18.555 1.461 5.581 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.437 2.055 4.718 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.291 -0.023 5.823 1.00 0.00 C ATOM 0 H VAL A 59 20.687 0.803 6.677 1.00 0.00 H new ATOM 0 HA VAL A 59 19.855 1.063 3.918 1.00 0.00 H new ATOM 0 HB VAL A 59 18.582 1.995 6.531 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.483 1.951 5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.639 3.111 4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.392 1.526 3.766 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.336 -0.144 6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.259 -0.547 4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.088 -0.439 6.439 1.00 0.00 H new ATOM 895 N GLN A 60 20.519 3.812 5.613 1.00 0.00 N ATOM 896 CA GLN A 60 20.827 5.254 5.407 1.00 0.00 C ATOM 897 C GLN A 60 22.063 5.386 4.514 1.00 0.00 C ATOM 898 O GLN A 60 22.140 6.253 3.667 1.00 0.00 O ATOM 899 CB GLN A 60 21.097 5.919 6.759 1.00 0.00 C ATOM 900 CG GLN A 60 19.896 5.706 7.682 1.00 0.00 C ATOM 901 CD GLN A 60 20.166 6.369 9.034 1.00 0.00 C ATOM 902 OE1 GLN A 60 20.471 7.544 9.097 1.00 0.00 O ATOM 903 NE2 GLN A 60 20.064 5.663 10.126 1.00 0.00 N ATOM 0 H GLN A 60 20.591 3.483 6.576 1.00 0.00 H new ATOM 0 HA GLN A 60 19.978 5.743 4.929 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.995 5.498 7.210 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.279 6.985 6.622 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.998 6.128 7.231 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.713 4.640 7.818 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.808 4.677 10.074 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.240 6.097 11.032 1.00 0.00 H new ATOM 912 N GLU A 61 23.030 4.530 4.699 1.00 0.00 N ATOM 913 CA GLU A 61 24.264 4.601 3.865 1.00 0.00 C ATOM 914 C GLU A 61 23.926 4.292 2.404 1.00 0.00 C ATOM 915 O GLU A 61 24.299 5.018 1.504 1.00 0.00 O ATOM 916 CB GLU A 61 25.285 3.583 4.377 1.00 0.00 C ATOM 917 CG GLU A 61 26.617 3.786 3.653 1.00 0.00 C ATOM 918 CD GLU A 61 27.658 2.814 4.213 1.00 0.00 C ATOM 919 OE1 GLU A 61 27.506 2.407 5.353 1.00 0.00 O ATOM 920 OE2 GLU A 61 28.588 2.494 3.493 1.00 0.00 O ATOM 0 H GLU A 61 23.019 3.783 5.393 1.00 0.00 H new ATOM 0 HA GLU A 61 24.682 5.605 3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.422 3.699 5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 61 24.919 2.570 4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 61 26.490 3.622 2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 61 26.959 4.813 3.779 1.00 0.00 H new ATOM 927 N TYR A 62 23.228 3.218 2.162 1.00 0.00 N ATOM 928 CA TYR A 62 22.872 2.859 0.758 1.00 0.00 C ATOM 929 C TYR A 62 21.980 3.946 0.152 1.00 0.00 C ATOM 930 O TYR A 62 22.081 4.255 -1.019 1.00 0.00 O ATOM 931 CB TYR A 62 22.138 1.506 0.738 1.00 0.00 C ATOM 932 CG TYR A 62 23.136 0.361 0.773 1.00 0.00 C ATOM 933 CD1 TYR A 62 24.118 0.297 1.785 1.00 0.00 C ATOM 934 CD2 TYR A 62 23.084 -0.644 -0.215 1.00 0.00 C ATOM 935 CE1 TYR A 62 25.041 -0.767 1.806 1.00 0.00 C ATOM 936 CE2 TYR A 62 24.007 -1.707 -0.192 1.00 0.00 C ATOM 937 CZ TYR A 62 24.985 -1.768 0.818 1.00 0.00 C ATOM 938 OH TYR A 62 25.891 -2.809 0.837 1.00 0.00 O ATOM 0 H TYR A 62 22.888 2.572 2.875 1.00 0.00 H new ATOM 0 HA TYR A 62 23.784 2.779 0.167 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.466 1.437 1.593 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.522 1.433 -0.158 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.162 1.064 2.544 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.334 -0.598 -0.991 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.792 -0.815 2.581 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.964 -2.476 -0.950 1.00 0.00 H new ATOM 0 HH TYR A 62 25.712 -3.412 0.086 1.00 0.00 H new ATOM 948 N VAL A 63 21.118 4.540 0.929 1.00 0.00 N ATOM 949 CA VAL A 63 20.248 5.610 0.375 1.00 0.00 C ATOM 950 C VAL A 63 21.142 6.769 -0.036 1.00 0.00 C ATOM 951 O VAL A 63 20.949 7.391 -1.060 1.00 0.00 O ATOM 952 CB VAL A 63 19.250 6.069 1.443 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.556 7.360 0.993 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.196 4.977 1.657 1.00 0.00 C ATOM 0 H VAL A 63 20.980 4.331 1.918 1.00 0.00 H new ATOM 0 HA VAL A 63 19.687 5.243 -0.484 1.00 0.00 H new ATOM 0 HB VAL A 63 19.785 6.255 2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 63 17.848 7.679 1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.302 8.140 0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 63 18.024 7.180 0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.485 5.302 2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.668 4.792 0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.684 4.059 1.986 1.00 0.00 H new ATOM 964 N TYR A 64 22.128 7.055 0.762 1.00 0.00 N ATOM 965 CA TYR A 64 23.049 8.166 0.433 1.00 0.00 C ATOM 966 C TYR A 64 23.801 7.824 -0.852 1.00 0.00 C ATOM 967 O TYR A 64 23.982 8.651 -1.722 1.00 0.00 O ATOM 968 CB TYR A 64 24.048 8.349 1.581 1.00 0.00 C ATOM 969 CG TYR A 64 24.681 9.720 1.499 1.00 0.00 C ATOM 970 CD1 TYR A 64 23.947 10.858 1.884 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.005 9.860 1.038 1.00 0.00 C ATOM 972 CE1 TYR A 64 24.535 12.135 1.808 1.00 0.00 C ATOM 973 CE2 TYR A 64 26.593 11.137 0.963 1.00 0.00 C ATOM 974 CZ TYR A 64 25.859 12.274 1.348 1.00 0.00 C ATOM 975 OH TYR A 64 26.435 13.525 1.274 1.00 0.00 O ATOM 0 H TYR A 64 22.334 6.563 1.631 1.00 0.00 H new ATOM 0 HA TYR A 64 22.486 9.089 0.293 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.541 8.230 2.538 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.818 7.580 1.530 1.00 0.00 H new ATOM 0 HD1 TYR A 64 22.932 10.751 2.238 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.569 8.988 0.742 1.00 0.00 H new ATOM 0 HE1 TYR A 64 23.971 13.008 2.102 1.00 0.00 H new ATOM 0 HE2 TYR A 64 27.608 11.244 0.610 1.00 0.00 H new ATOM 0 HH TYR A 64 27.352 13.444 0.938 1.00 0.00 H new ATOM 985 N ASP A 65 24.239 6.606 -0.966 1.00 0.00 N ATOM 986 CA ASP A 65 24.989 6.182 -2.182 1.00 0.00 C ATOM 987 C ASP A 65 24.101 6.338 -3.421 1.00 0.00 C ATOM 988 O ASP A 65 24.565 6.681 -4.491 1.00 0.00 O ATOM 989 CB ASP A 65 25.403 4.715 -2.026 1.00 0.00 C ATOM 990 CG ASP A 65 26.628 4.618 -1.113 1.00 0.00 C ATOM 991 OD1 ASP A 65 27.546 5.399 -1.302 1.00 0.00 O ATOM 992 OD2 ASP A 65 26.626 3.765 -0.241 1.00 0.00 O ATOM 0 H ASP A 65 24.110 5.877 -0.264 1.00 0.00 H new ATOM 0 HA ASP A 65 25.875 6.805 -2.301 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.579 4.137 -1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 65 25.630 4.286 -3.002 1.00 0.00 H new ATOM 997 N LEU A 66 22.831 6.087 -3.284 1.00 0.00 N ATOM 998 CA LEU A 66 21.911 6.218 -4.449 1.00 0.00 C ATOM 999 C LEU A 66 21.705 7.700 -4.776 1.00 0.00 C ATOM 1000 O LEU A 66 21.465 8.070 -5.908 1.00 0.00 O ATOM 1001 CB LEU A 66 20.567 5.568 -4.094 1.00 0.00 C ATOM 1002 CG LEU A 66 20.651 4.037 -4.268 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.556 3.362 -3.439 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.452 3.653 -5.744 1.00 0.00 C ATOM 0 H LEU A 66 22.387 5.796 -2.413 1.00 0.00 H new ATOM 0 HA LEU A 66 22.339 5.721 -5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.298 5.810 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 66 19.780 5.971 -4.732 1.00 0.00 H new ATOM 0 HG LEU A 66 21.635 3.707 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.619 2.281 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.689 3.613 -2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.579 3.710 -3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.514 2.570 -5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.473 3.995 -6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.228 4.122 -6.350 1.00 0.00 H new ATOM 1016 N GLU A 67 21.799 8.548 -3.794 1.00 0.00 N ATOM 1017 CA GLU A 67 21.612 10.006 -4.044 1.00 0.00 C ATOM 1018 C GLU A 67 22.828 10.549 -4.797 1.00 0.00 C ATOM 1019 O GLU A 67 22.728 11.485 -5.565 1.00 0.00 O ATOM 1020 CB GLU A 67 21.480 10.737 -2.707 1.00 0.00 C ATOM 1021 CG GLU A 67 20.179 10.316 -2.017 1.00 0.00 C ATOM 1022 CD GLU A 67 18.997 11.070 -2.633 1.00 0.00 C ATOM 1023 OE1 GLU A 67 19.201 11.734 -3.635 1.00 0.00 O ATOM 1024 OE2 GLU A 67 17.909 10.970 -2.090 1.00 0.00 O ATOM 0 H GLU A 67 21.998 8.296 -2.826 1.00 0.00 H new ATOM 0 HA GLU A 67 20.711 10.163 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.333 10.506 -2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 67 21.485 11.815 -2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.032 9.241 -2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.239 10.525 -0.949 1.00 0.00 H new ATOM 1031 N LEU A 68 23.972 9.965 -4.582 1.00 0.00 N ATOM 1032 CA LEU A 68 25.195 10.444 -5.288 1.00 0.00 C ATOM 1033 C LEU A 68 25.176 9.942 -6.734 1.00 0.00 C ATOM 1034 O LEU A 68 24.360 10.357 -7.534 1.00 0.00 O ATOM 1035 CB LEU A 68 26.439 9.911 -4.582 1.00 0.00 C ATOM 1036 CG LEU A 68 26.472 10.414 -3.136 1.00 0.00 C ATOM 1037 CD1 LEU A 68 27.689 9.813 -2.443 1.00 0.00 C ATOM 1038 CD2 LEU A 68 26.565 11.952 -3.103 1.00 0.00 C ATOM 0 H LEU A 68 24.115 9.178 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 68 25.214 11.534 -5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 68 26.438 8.821 -4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 68 27.335 10.236 -5.110 1.00 0.00 H new ATOM 0 HG LEU A 68 25.557 10.114 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 68 27.729 10.161 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 68 27.616 8.726 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 68 28.595 10.122 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 68 26.587 12.293 -2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 68 27.475 12.272 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 68 25.698 12.380 -3.607 1.00 0.00 H new ATOM 1050 N ASN A 69 26.070 9.052 -7.079 1.00 0.00 N ATOM 1051 CA ASN A 69 26.105 8.523 -8.474 1.00 0.00 C ATOM 1052 C ASN A 69 25.193 7.298 -8.578 1.00 0.00 C ATOM 1053 O ASN A 69 24.027 7.477 -8.890 1.00 0.00 O ATOM 1054 CB ASN A 69 27.538 8.121 -8.829 1.00 0.00 C ATOM 1055 CG ASN A 69 28.112 7.240 -7.718 1.00 0.00 C ATOM 1056 OD1 ASN A 69 27.965 6.035 -7.745 1.00 0.00 O ATOM 1057 ND2 ASN A 69 28.765 7.796 -6.734 1.00 0.00 N ATOM 1058 OXT ASN A 69 25.676 6.203 -8.343 1.00 0.00 O ATOM 0 H ASN A 69 26.778 8.668 -6.453 1.00 0.00 H new ATOM 0 HA ASN A 69 25.760 9.293 -9.164 1.00 0.00 H new ATOM 0 HB2 ASN A 69 27.552 7.584 -9.777 1.00 0.00 H new ATOM 0 HB3 ASN A 69 28.155 9.010 -8.958 1.00 0.00 H new ATOM 0 HD21 ASN A 69 29.152 7.218 -5.988 1.00 0.00 H new ATOM 0 HD22 ASN A 69 28.888 8.808 -6.711 1.00 0.00 H new TER 1065 ASN A 69 ATOM 1066 N ALA B 1 9.262 -17.683 -11.437 1.00 0.00 N ATOM 1067 CA ALA B 1 8.809 -18.483 -10.267 1.00 0.00 C ATOM 1068 C ALA B 1 9.152 -17.753 -8.950 1.00 0.00 C ATOM 1069 O ALA B 1 8.316 -17.676 -8.072 1.00 0.00 O ATOM 1070 CB ALA B 1 9.468 -19.882 -10.312 1.00 0.00 C ATOM 0 H1 ALA B 1 8.597 -17.815 -12.226 1.00 0.00 H new ATOM 0 H2 ALA B 1 9.296 -16.677 -11.177 1.00 0.00 H new ATOM 0 H3 ALA B 1 10.210 -17.998 -11.727 1.00 0.00 H new ATOM 0 HA ALA B 1 7.727 -18.604 -10.310 1.00 0.00 H new ATOM 0 HB1 ALA B 1 9.136 -20.468 -9.455 1.00 0.00 H new ATOM 0 HB2 ALA B 1 9.180 -20.390 -11.232 1.00 0.00 H new ATOM 0 HB3 ALA B 1 10.552 -19.775 -10.280 1.00 0.00 H new ATOM 1078 N PRO B 2 10.364 -17.247 -8.828 1.00 0.00 N ATOM 1079 CA PRO B 2 10.778 -16.546 -7.598 1.00 0.00 C ATOM 1080 C PRO B 2 10.010 -15.223 -7.469 1.00 0.00 C ATOM 1081 O PRO B 2 10.115 -14.348 -8.307 1.00 0.00 O ATOM 1082 CB PRO B 2 12.299 -16.308 -7.768 1.00 0.00 C ATOM 1083 CG PRO B 2 12.701 -16.847 -9.173 1.00 0.00 C ATOM 1084 CD PRO B 2 11.409 -17.323 -9.875 1.00 0.00 C ATOM 0 HA PRO B 2 10.566 -17.115 -6.693 1.00 0.00 H new ATOM 0 HB2 PRO B 2 12.533 -15.247 -7.683 1.00 0.00 H new ATOM 0 HB3 PRO B 2 12.858 -16.822 -6.986 1.00 0.00 H new ATOM 0 HG2 PRO B 2 13.190 -16.067 -9.757 1.00 0.00 H new ATOM 0 HG3 PRO B 2 13.412 -17.668 -9.080 1.00 0.00 H new ATOM 0 HD2 PRO B 2 11.164 -16.688 -10.726 1.00 0.00 H new ATOM 0 HD3 PRO B 2 11.516 -18.339 -10.255 1.00 0.00 H new ATOM 1092 N MET B 3 9.239 -15.072 -6.427 1.00 0.00 N ATOM 1093 CA MET B 3 8.467 -13.811 -6.245 1.00 0.00 C ATOM 1094 C MET B 3 9.390 -12.723 -5.691 1.00 0.00 C ATOM 1095 O MET B 3 10.489 -12.995 -5.251 1.00 0.00 O ATOM 1096 CB MET B 3 7.320 -14.054 -5.261 1.00 0.00 C ATOM 1097 CG MET B 3 7.890 -14.519 -3.919 1.00 0.00 C ATOM 1098 SD MET B 3 6.558 -15.200 -2.900 1.00 0.00 S ATOM 1099 CE MET B 3 7.606 -16.112 -1.740 1.00 0.00 C ATOM 0 H MET B 3 9.110 -15.769 -5.693 1.00 0.00 H new ATOM 0 HA MET B 3 8.062 -13.491 -7.205 1.00 0.00 H new ATOM 0 HB2 MET B 3 6.743 -13.139 -5.126 1.00 0.00 H new ATOM 0 HB3 MET B 3 6.638 -14.806 -5.659 1.00 0.00 H new ATOM 0 HG2 MET B 3 8.660 -15.273 -4.081 1.00 0.00 H new ATOM 0 HG3 MET B 3 8.365 -13.684 -3.405 1.00 0.00 H new ATOM 0 HE1 MET B 3 6.980 -16.620 -1.006 1.00 0.00 H new ATOM 0 HE2 MET B 3 8.197 -16.848 -2.285 1.00 0.00 H new ATOM 0 HE3 MET B 3 8.273 -15.418 -1.229 1.00 0.00 H new ATOM 1109 N GLY B 4 8.952 -11.493 -5.705 1.00 0.00 N ATOM 1110 CA GLY B 4 9.808 -10.393 -5.176 1.00 0.00 C ATOM 1111 C GLY B 4 10.293 -10.760 -3.773 1.00 0.00 C ATOM 1112 O GLY B 4 9.985 -11.817 -3.258 1.00 0.00 O ATOM 0 H GLY B 4 8.040 -11.203 -6.059 1.00 0.00 H new ATOM 0 HA2 GLY B 4 10.660 -10.230 -5.836 1.00 0.00 H new ATOM 0 HA3 GLY B 4 9.244 -9.460 -5.146 1.00 0.00 H new ATOM 1116 N SER B 5 11.057 -9.902 -3.147 1.00 0.00 N ATOM 1117 CA SER B 5 11.565 -10.214 -1.777 1.00 0.00 C ATOM 1118 C SER B 5 10.543 -9.752 -0.721 1.00 0.00 C ATOM 1119 O SER B 5 9.969 -10.554 -0.012 1.00 0.00 O ATOM 1120 CB SER B 5 12.924 -9.525 -1.570 1.00 0.00 C ATOM 1121 OG SER B 5 13.886 -10.504 -1.197 1.00 0.00 O ATOM 0 H SER B 5 11.351 -9.001 -3.524 1.00 0.00 H new ATOM 0 HA SER B 5 11.700 -11.290 -1.668 1.00 0.00 H new ATOM 0 HB2 SER B 5 13.234 -9.021 -2.486 1.00 0.00 H new ATOM 0 HB3 SER B 5 12.845 -8.761 -0.797 1.00 0.00 H new ATOM 0 HG SER B 5 14.756 -10.074 -1.065 1.00 0.00 H new ATOM 1127 N ASP B 6 10.309 -8.468 -0.612 1.00 0.00 N ATOM 1128 CA ASP B 6 9.321 -7.975 0.400 1.00 0.00 C ATOM 1129 C ASP B 6 8.806 -6.586 -0.011 1.00 0.00 C ATOM 1130 O ASP B 6 9.118 -5.604 0.634 1.00 0.00 O ATOM 1131 CB ASP B 6 9.994 -7.879 1.781 1.00 0.00 C ATOM 1132 CG ASP B 6 8.922 -7.854 2.876 1.00 0.00 C ATOM 1133 OD1 ASP B 6 8.068 -8.726 2.861 1.00 0.00 O ATOM 1134 OD2 ASP B 6 8.975 -6.964 3.708 1.00 0.00 O ATOM 0 H ASP B 6 10.755 -7.744 -1.175 1.00 0.00 H new ATOM 0 HA ASP B 6 8.486 -8.673 0.450 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.661 -8.728 1.931 1.00 0.00 H new ATOM 0 HB3 ASP B 6 10.606 -6.979 1.837 1.00 0.00 H new ATOM 1139 N PRO B 7 8.035 -6.529 -1.076 1.00 0.00 N ATOM 1140 CA PRO B 7 7.492 -5.247 -1.563 1.00 0.00 C ATOM 1141 C PRO B 7 6.531 -4.650 -0.508 1.00 0.00 C ATOM 1142 O PRO B 7 6.180 -5.320 0.441 1.00 0.00 O ATOM 1143 CB PRO B 7 6.749 -5.605 -2.874 1.00 0.00 C ATOM 1144 CG PRO B 7 6.869 -7.146 -3.076 1.00 0.00 C ATOM 1145 CD PRO B 7 7.652 -7.715 -1.873 1.00 0.00 C ATOM 0 HA PRO B 7 8.262 -4.496 -1.737 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.702 -5.307 -2.815 1.00 0.00 H new ATOM 0 HB3 PRO B 7 7.185 -5.073 -3.719 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.881 -7.602 -3.140 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.385 -7.371 -4.010 1.00 0.00 H new ATOM 0 HD2 PRO B 7 7.038 -8.402 -1.290 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.530 -8.272 -2.200 1.00 0.00 H new ATOM 1153 N PRO B 8 6.131 -3.406 -0.703 1.00 0.00 N ATOM 1154 CA PRO B 8 5.211 -2.728 0.238 1.00 0.00 C ATOM 1155 C PRO B 8 3.844 -3.435 0.244 1.00 0.00 C ATOM 1156 O PRO B 8 3.723 -4.578 -0.148 1.00 0.00 O ATOM 1157 CB PRO B 8 5.088 -1.281 -0.301 1.00 0.00 C ATOM 1158 CG PRO B 8 5.815 -1.235 -1.675 1.00 0.00 C ATOM 1159 CD PRO B 8 6.556 -2.578 -1.854 1.00 0.00 C ATOM 0 HA PRO B 8 5.574 -2.746 1.266 1.00 0.00 H new ATOM 0 HB2 PRO B 8 4.041 -1.000 -0.411 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.537 -0.572 0.395 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.099 -1.082 -2.482 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.517 -0.402 -1.709 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.292 -3.051 -2.800 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.637 -2.435 -1.860 1.00 0.00 H new ATOM 1167 N THR B 9 2.816 -2.754 0.685 1.00 0.00 N ATOM 1168 CA THR B 9 1.461 -3.376 0.716 1.00 0.00 C ATOM 1169 C THR B 9 0.392 -2.284 0.716 1.00 0.00 C ATOM 1170 O THR B 9 0.406 -1.382 1.531 1.00 0.00 O ATOM 1171 CB THR B 9 1.321 -4.220 1.982 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.480 -5.025 2.143 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.085 -5.116 1.869 1.00 0.00 C ATOM 0 H THR B 9 2.859 -1.793 1.025 1.00 0.00 H new ATOM 0 HA THR B 9 1.333 -4.007 -0.164 1.00 0.00 H new ATOM 0 HB THR B 9 1.211 -3.564 2.845 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.458 -5.458 3.022 1.00 0.00 H new ATOM 0 HG21 THR B 9 -0.013 -5.717 2.773 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.804 -4.497 1.747 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.190 -5.773 1.006 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.536 -2.363 -0.194 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.614 -1.339 -0.259 1.00 0.00 C ATOM 1183 C ALA B 10 -2.545 -1.486 0.945 1.00 0.00 C ATOM 1184 O ALA B 10 -3.602 -2.076 0.851 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.416 -1.539 -1.543 1.00 0.00 C ATOM 0 H ALA B 10 -0.595 -3.097 -0.900 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.169 -0.344 -0.248 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.208 -0.792 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.757 -1.432 -2.404 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.857 -2.536 -1.545 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.164 -0.940 2.073 1.00 0.00 N ATOM 1192 CA CYS B 11 -3.024 -1.029 3.295 1.00 0.00 C ATOM 1193 C CYS B 11 -3.608 0.356 3.586 1.00 0.00 C ATOM 1194 O CYS B 11 -2.940 1.361 3.446 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.173 -1.488 4.483 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.255 -2.982 4.025 1.00 0.00 S ATOM 0 H CYS B 11 -1.288 -0.433 2.201 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.830 -1.745 3.134 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.481 -0.698 4.775 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.810 -1.689 5.344 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.852 0.419 3.976 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.474 1.744 4.261 1.00 0.00 C ATOM 1203 C CYS B 12 -4.941 2.288 5.588 1.00 0.00 C ATOM 1204 O CYS B 12 -4.669 1.545 6.510 1.00 0.00 O ATOM 1205 CB CYS B 12 -6.995 1.588 4.347 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.651 1.160 2.715 1.00 0.00 S ATOM 0 H CYS B 12 -5.463 -0.387 4.109 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.225 2.439 3.459 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.251 0.812 5.069 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.447 2.515 4.701 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.795 3.585 5.689 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.285 4.201 6.953 1.00 0.00 C ATOM 1213 C PHE B 13 -5.456 4.830 7.708 1.00 0.00 C ATOM 1214 O PHE B 13 -5.381 5.094 8.892 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.269 5.291 6.609 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.957 6.384 5.827 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.241 6.197 4.462 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.320 7.586 6.464 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.887 7.212 3.732 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -4.966 8.602 5.735 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.250 8.415 4.369 1.00 0.00 C ATOM 0 H PHE B 13 -5.009 4.249 4.945 1.00 0.00 H new ATOM 0 HA PHE B 13 -3.811 3.438 7.570 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.833 5.699 7.521 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.450 4.870 6.025 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.963 5.274 3.974 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.103 7.728 7.512 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.104 7.069 2.684 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.244 9.524 6.223 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.746 9.194 3.809 1.00 0.00 H new ATOM 1231 N SER B 14 -6.540 5.073 7.022 1.00 0.00 N ATOM 1232 CA SER B 14 -7.727 5.687 7.679 1.00 0.00 C ATOM 1233 C SER B 14 -8.978 5.309 6.887 1.00 0.00 C ATOM 1234 O SER B 14 -8.992 4.333 6.164 1.00 0.00 O ATOM 1235 CB SER B 14 -7.574 7.208 7.695 1.00 0.00 C ATOM 1236 OG SER B 14 -7.617 7.699 6.363 1.00 0.00 O ATOM 0 H SER B 14 -6.654 4.871 6.029 1.00 0.00 H new ATOM 0 HA SER B 14 -7.812 5.325 8.704 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.371 7.659 8.287 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.631 7.485 8.166 1.00 0.00 H new ATOM 0 HG SER B 14 -6.720 7.661 5.971 1.00 0.00 H new ATOM 1242 N TYR B 15 -10.035 6.066 7.016 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.282 5.731 6.267 1.00 0.00 C ATOM 1244 C TYR B 15 -12.111 6.998 6.057 1.00 0.00 C ATOM 1245 O TYR B 15 -12.000 7.957 6.794 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.107 4.715 7.070 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.186 3.702 7.708 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -10.765 2.574 6.979 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -10.747 3.890 9.032 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -9.904 1.633 7.576 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -9.886 2.950 9.629 1.00 0.00 C ATOM 1252 CZ TYR B 15 -9.464 1.822 8.901 1.00 0.00 C ATOM 1253 OH TYR B 15 -8.621 0.899 9.486 1.00 0.00 O ATOM 0 H TYR B 15 -10.090 6.898 7.604 1.00 0.00 H new ATOM 0 HA TYR B 15 -11.016 5.304 5.300 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.686 5.228 7.837 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.819 4.212 6.416 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.102 2.430 5.963 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.071 4.756 9.590 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -9.581 0.766 7.018 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -9.549 3.094 10.645 1.00 0.00 H new ATOM 0 HH TYR B 15 -8.413 1.180 10.401 1.00 0.00 H new ATOM 1263 N THR B 16 -12.950 7.001 5.060 1.00 0.00 N ATOM 1264 CA THR B 16 -13.797 8.198 4.808 1.00 0.00 C ATOM 1265 C THR B 16 -14.645 8.473 6.052 1.00 0.00 C ATOM 1266 O THR B 16 -14.378 7.957 7.120 1.00 0.00 O ATOM 1267 CB THR B 16 -14.696 7.938 3.595 1.00 0.00 C ATOM 1268 OG1 THR B 16 -15.629 8.999 3.453 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.444 6.617 3.778 1.00 0.00 C ATOM 0 H THR B 16 -13.086 6.227 4.410 1.00 0.00 H new ATOM 0 HA THR B 16 -13.172 9.067 4.600 1.00 0.00 H new ATOM 0 HB THR B 16 -14.078 7.880 2.699 1.00 0.00 H new ATOM 0 HG1 THR B 16 -16.201 8.830 2.675 1.00 0.00 H new ATOM 0 HG21 THR B 16 -16.082 6.437 2.913 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.726 5.803 3.875 1.00 0.00 H new ATOM 0 HG23 THR B 16 -16.058 6.668 4.677 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.667 9.277 5.930 1.00 0.00 N ATOM 1278 CA ALA B 17 -16.531 9.584 7.109 1.00 0.00 C ATOM 1279 C ALA B 17 -17.977 9.728 6.639 1.00 0.00 C ATOM 1280 O ALA B 17 -18.819 10.258 7.336 1.00 0.00 O ATOM 1281 CB ALA B 17 -16.070 10.893 7.749 1.00 0.00 C ATOM 0 H ALA B 17 -15.942 9.736 5.062 1.00 0.00 H new ATOM 0 HA ALA B 17 -16.459 8.780 7.841 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -16.700 11.119 8.610 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -15.034 10.794 8.073 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -16.147 11.701 7.021 1.00 0.00 H new ATOM 1287 N ARG B 18 -18.270 9.254 5.456 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.660 9.353 4.920 1.00 0.00 C ATOM 1289 C ARG B 18 -19.995 8.077 4.144 1.00 0.00 C ATOM 1290 O ARG B 18 -19.267 7.665 3.263 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.756 10.561 3.982 1.00 0.00 C ATOM 1292 CG ARG B 18 -19.905 11.840 4.808 1.00 0.00 C ATOM 1293 CD ARG B 18 -19.626 13.052 3.927 1.00 0.00 C ATOM 1294 NE ARG B 18 -20.665 13.143 2.862 1.00 0.00 N ATOM 1295 CZ ARG B 18 -20.805 14.246 2.179 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -20.033 15.268 2.426 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -21.717 14.326 1.248 1.00 0.00 N ATOM 0 H ARG B 18 -17.601 8.800 4.834 1.00 0.00 H new ATOM 0 HA ARG B 18 -20.364 9.474 5.744 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -18.865 10.621 3.357 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -20.608 10.447 3.312 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -20.911 11.903 5.222 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -19.214 11.823 5.651 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -19.627 13.960 4.529 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -18.636 12.968 3.478 1.00 0.00 H new ATOM 0 HE ARG B 18 -21.267 12.343 2.667 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -19.320 15.205 3.153 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -20.142 16.130 1.892 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -22.320 13.526 1.055 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -21.826 15.188 0.714 1.00 0.00 H new ATOM 1311 N LYS B 19 -21.096 7.451 4.457 1.00 0.00 N ATOM 1312 CA LYS B 19 -21.481 6.210 3.727 1.00 0.00 C ATOM 1313 C LYS B 19 -21.699 6.568 2.253 1.00 0.00 C ATOM 1314 O LYS B 19 -22.462 7.454 1.923 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.772 5.647 4.354 1.00 0.00 C ATOM 1316 CG LYS B 19 -23.326 4.433 3.549 1.00 0.00 C ATOM 1317 CD LYS B 19 -24.848 4.521 3.403 1.00 0.00 C ATOM 1318 CE LYS B 19 -25.515 4.372 4.773 1.00 0.00 C ATOM 1319 NZ LYS B 19 -26.929 4.836 4.688 1.00 0.00 N ATOM 0 H LYS B 19 -21.746 7.745 5.186 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.701 5.452 3.798 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.574 5.342 5.381 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -23.528 6.431 4.395 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -22.863 4.404 2.562 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -23.058 3.505 4.054 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -25.124 5.476 2.957 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -25.203 3.741 2.730 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -25.481 3.331 5.095 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -24.974 4.954 5.519 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -27.384 4.736 5.618 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -26.950 5.835 4.398 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -27.441 4.262 3.988 1.00 0.00 H new ATOM 1333 N LEU B 20 -21.027 5.885 1.365 1.00 0.00 N ATOM 1334 CA LEU B 20 -21.184 6.184 -0.085 1.00 0.00 C ATOM 1335 C LEU B 20 -22.560 5.674 -0.572 1.00 0.00 C ATOM 1336 O LEU B 20 -22.817 4.491 -0.468 1.00 0.00 O ATOM 1337 CB LEU B 20 -20.096 5.447 -0.872 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.726 5.665 -0.227 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.647 5.101 -1.152 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.477 7.163 -0.012 1.00 0.00 C ATOM 0 H LEU B 20 -20.375 5.132 1.583 1.00 0.00 H new ATOM 0 HA LEU B 20 -21.105 7.260 -0.239 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.323 4.381 -0.906 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -20.080 5.803 -1.902 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.696 5.159 0.738 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.666 5.252 -0.701 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.818 4.035 -1.302 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.687 5.614 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.499 7.307 0.448 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.506 7.678 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -19.249 7.570 0.642 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.414 6.536 -1.106 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.728 6.080 -1.600 1.00 0.00 C ATOM 1354 C PRO B 21 -24.541 4.957 -2.624 1.00 0.00 C ATOM 1355 O PRO B 21 -23.590 4.948 -3.378 1.00 0.00 O ATOM 1356 CB PRO B 21 -25.361 7.326 -2.261 1.00 0.00 C ATOM 1357 CG PRO B 21 -24.462 8.544 -1.907 1.00 0.00 C ATOM 1358 CD PRO B 21 -23.173 7.991 -1.261 1.00 0.00 C ATOM 0 HA PRO B 21 -25.358 5.682 -0.805 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -25.425 7.197 -3.341 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -26.377 7.480 -1.897 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -24.227 9.121 -2.801 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.978 9.216 -1.221 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -22.303 8.182 -1.890 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.980 8.464 -0.298 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.451 4.024 -2.674 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.331 2.926 -3.672 1.00 0.00 C ATOM 1368 C ARG B 22 -25.084 3.553 -5.048 1.00 0.00 C ATOM 1369 O ARG B 22 -24.369 3.019 -5.873 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.636 2.116 -3.690 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.645 1.121 -4.860 1.00 0.00 C ATOM 1372 CD ARG B 22 -25.397 0.232 -4.820 1.00 0.00 C ATOM 1373 NE ARG B 22 -25.142 -0.221 -3.423 1.00 0.00 N ATOM 1374 CZ ARG B 22 -24.331 -1.218 -3.202 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -23.752 -1.821 -4.204 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -24.101 -1.613 -1.980 1.00 0.00 N ATOM 0 H ARG B 22 -26.270 3.975 -2.068 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.506 2.261 -3.415 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -26.748 1.578 -2.749 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.487 2.791 -3.775 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -27.541 0.502 -4.812 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -26.682 1.663 -5.805 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -25.533 -0.631 -5.472 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -24.535 0.783 -5.196 1.00 0.00 H new ATOM 0 HE ARG B 22 -25.601 0.248 -2.642 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -23.934 -1.512 -5.159 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -23.117 -2.601 -4.032 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -24.556 -1.142 -1.198 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -23.467 -2.393 -1.807 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.674 4.692 -5.290 1.00 0.00 N ATOM 1391 CA ASN B 23 -25.485 5.372 -6.603 1.00 0.00 C ATOM 1392 C ASN B 23 -24.068 5.943 -6.690 1.00 0.00 C ATOM 1393 O ASN B 23 -23.777 6.771 -7.532 1.00 0.00 O ATOM 1394 CB ASN B 23 -26.500 6.508 -6.736 1.00 0.00 C ATOM 1395 CG ASN B 23 -26.413 7.111 -8.140 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -27.010 8.133 -8.414 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -25.689 6.516 -9.048 1.00 0.00 N ATOM 0 H ASN B 23 -26.281 5.182 -4.633 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.633 4.652 -7.408 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -27.507 6.133 -6.552 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -26.303 7.275 -5.987 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -25.625 6.909 -9.987 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -25.187 5.658 -8.819 1.00 0.00 H new ATOM 1404 N PHE B 24 -23.184 5.517 -5.824 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.781 6.046 -5.850 1.00 0.00 C ATOM 1406 C PHE B 24 -20.806 4.897 -5.569 1.00 0.00 C ATOM 1407 O PHE B 24 -19.726 5.100 -5.050 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.641 7.132 -4.769 1.00 0.00 C ATOM 1409 CG PHE B 24 -20.472 8.051 -5.075 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -20.456 8.806 -6.267 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -19.403 8.163 -4.161 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -19.376 9.666 -6.542 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -18.323 9.023 -4.440 1.00 0.00 C ATOM 1414 CZ PHE B 24 -18.310 9.774 -5.629 1.00 0.00 C ATOM 0 H PHE B 24 -23.371 4.825 -5.098 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.556 6.475 -6.826 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.561 7.714 -4.711 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.497 6.665 -3.795 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -21.273 8.724 -6.969 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -19.413 7.589 -3.246 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -19.365 10.244 -7.455 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.504 9.106 -3.740 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.482 10.434 -5.842 1.00 0.00 H new ATOM 1424 N VAL B 25 -21.180 3.691 -5.915 1.00 0.00 N ATOM 1425 CA VAL B 25 -20.285 2.519 -5.679 1.00 0.00 C ATOM 1426 C VAL B 25 -20.544 1.466 -6.759 1.00 0.00 C ATOM 1427 O VAL B 25 -21.376 0.595 -6.601 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.581 1.912 -4.305 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.589 0.783 -4.018 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.442 2.983 -3.224 1.00 0.00 C ATOM 0 H VAL B 25 -22.073 3.467 -6.354 1.00 0.00 H new ATOM 0 HA VAL B 25 -19.245 2.843 -5.716 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.598 1.520 -4.302 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.801 0.352 -3.040 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.684 0.012 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.574 1.180 -4.027 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.654 2.545 -2.249 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.426 3.378 -3.232 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -21.147 3.791 -3.420 1.00 0.00 H new ATOM 1440 N VAL B 26 -19.842 1.541 -7.858 1.00 0.00 N ATOM 1441 CA VAL B 26 -20.052 0.548 -8.948 1.00 0.00 C ATOM 1442 C VAL B 26 -19.231 -0.708 -8.667 1.00 0.00 C ATOM 1443 O VAL B 26 -19.412 -1.731 -9.298 1.00 0.00 O ATOM 1444 CB VAL B 26 -19.605 1.158 -10.277 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -20.505 2.341 -10.623 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -18.156 1.641 -10.162 1.00 0.00 C ATOM 0 H VAL B 26 -19.132 2.248 -8.047 1.00 0.00 H new ATOM 0 HA VAL B 26 -21.108 0.284 -8.999 1.00 0.00 H new ATOM 0 HB VAL B 26 -19.675 0.403 -11.060 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -20.186 2.776 -11.570 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -21.537 2.000 -10.709 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -20.436 3.093 -9.837 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -17.841 2.075 -11.111 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -18.085 2.394 -9.377 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -17.510 0.798 -9.916 1.00 0.00 H new ATOM 1456 N ASP B 27 -18.328 -0.644 -7.731 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.502 -1.844 -7.427 1.00 0.00 C ATOM 1458 C ASP B 27 -16.702 -1.600 -6.153 1.00 0.00 C ATOM 1459 O ASP B 27 -16.894 -0.615 -5.467 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.539 -2.104 -8.589 1.00 0.00 C ATOM 1461 CG ASP B 27 -15.922 -3.496 -8.441 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -16.599 -4.370 -7.927 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -14.782 -3.662 -8.844 1.00 0.00 O ATOM 0 H ASP B 27 -18.127 0.181 -7.166 1.00 0.00 H new ATOM 0 HA ASP B 27 -18.152 -2.708 -7.289 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -17.070 -2.029 -9.538 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -15.755 -1.347 -8.601 1.00 0.00 H new ATOM 1468 N TYR B 28 -15.803 -2.487 -5.827 1.00 0.00 N ATOM 1469 CA TYR B 28 -14.992 -2.297 -4.596 1.00 0.00 C ATOM 1470 C TYR B 28 -13.680 -3.065 -4.711 1.00 0.00 C ATOM 1471 O TYR B 28 -13.363 -3.640 -5.733 1.00 0.00 O ATOM 1472 CB TYR B 28 -15.776 -2.773 -3.367 1.00 0.00 C ATOM 1473 CG TYR B 28 -15.847 -4.289 -3.328 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.517 -4.995 -4.348 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.255 -4.993 -2.260 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -16.591 -6.399 -4.300 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.330 -6.396 -2.211 1.00 0.00 C ATOM 1478 CZ TYR B 28 -15.998 -7.101 -3.231 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.073 -8.479 -3.184 1.00 0.00 O ATOM 0 H TYR B 28 -15.597 -3.332 -6.359 1.00 0.00 H new ATOM 0 HA TYR B 28 -14.771 -1.236 -4.481 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.299 -2.403 -2.460 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -16.783 -2.358 -3.389 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -16.973 -4.458 -5.166 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -14.743 -4.453 -1.477 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.103 -6.939 -5.083 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -14.876 -6.933 -1.392 1.00 0.00 H new ATOM 0 HH TYR B 28 -15.612 -8.805 -2.383 1.00 0.00 H new ATOM 1489 N TYR B 29 -12.911 -3.054 -3.667 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.603 -3.753 -3.687 1.00 0.00 C ATOM 1491 C TYR B 29 -11.150 -3.970 -2.237 1.00 0.00 C ATOM 1492 O TYR B 29 -11.208 -3.072 -1.424 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.607 -2.869 -4.457 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.183 -3.258 -4.134 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -8.777 -4.595 -4.272 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.268 -2.281 -3.695 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.451 -4.962 -3.970 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -6.943 -2.646 -3.394 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.534 -3.987 -3.531 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.235 -4.346 -3.235 1.00 0.00 O ATOM 0 H TYR B 29 -13.135 -2.585 -2.789 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.668 -4.724 -4.178 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -10.781 -2.966 -5.529 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -10.770 -1.822 -4.201 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.481 -5.341 -4.609 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.583 -1.253 -3.590 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.138 -5.990 -4.075 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.240 -1.898 -3.058 1.00 0.00 H new ATOM 0 HH TYR B 29 -4.734 -3.554 -2.948 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.713 -5.153 -1.894 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.273 -5.407 -0.486 1.00 0.00 C ATOM 1512 C GLU B 30 -8.764 -5.173 -0.364 1.00 0.00 C ATOM 1513 O GLU B 30 -8.030 -5.248 -1.331 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.601 -6.853 -0.102 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.100 -6.982 0.182 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.478 -8.461 0.269 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -12.046 -9.214 -0.588 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -13.193 -8.816 1.192 1.00 0.00 O ATOM 0 H GLU B 30 -10.641 -5.953 -2.523 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.796 -4.725 0.184 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.314 -7.528 -0.908 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.028 -7.145 0.778 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.349 -6.477 1.115 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.673 -6.495 -0.607 1.00 0.00 H new ATOM 1525 N THR B 31 -8.301 -4.879 0.820 1.00 0.00 N ATOM 1526 CA THR B 31 -6.843 -4.624 1.026 1.00 0.00 C ATOM 1527 C THR B 31 -6.057 -5.934 0.968 1.00 0.00 C ATOM 1528 O THR B 31 -6.550 -6.953 0.526 1.00 0.00 O ATOM 1529 CB THR B 31 -6.640 -3.986 2.401 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.325 -4.761 3.371 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.190 -2.557 2.388 1.00 0.00 C ATOM 0 H THR B 31 -8.873 -4.803 1.661 1.00 0.00 H new ATOM 0 HA THR B 31 -6.485 -3.960 0.239 1.00 0.00 H new ATOM 0 HB THR B 31 -5.578 -3.953 2.644 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.448 -5.673 3.034 1.00 0.00 H new ATOM 0 HG21 THR B 31 -7.045 -2.102 3.368 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.663 -1.971 1.635 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.254 -2.579 2.152 1.00 0.00 H new ATOM 1539 N SER B 32 -4.832 -5.906 1.422 1.00 0.00 N ATOM 1540 CA SER B 32 -3.988 -7.133 1.413 1.00 0.00 C ATOM 1541 C SER B 32 -4.214 -7.916 2.705 1.00 0.00 C ATOM 1542 O SER B 32 -5.318 -8.024 3.198 1.00 0.00 O ATOM 1543 CB SER B 32 -2.518 -6.728 1.319 1.00 0.00 C ATOM 1544 OG SER B 32 -1.737 -7.869 0.990 1.00 0.00 O ATOM 0 H SER B 32 -4.377 -5.076 1.802 1.00 0.00 H new ATOM 0 HA SER B 32 -4.255 -7.756 0.559 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.390 -5.954 0.562 1.00 0.00 H new ATOM 0 HB3 SER B 32 -2.184 -6.305 2.266 1.00 0.00 H new ATOM 0 HG SER B 32 -0.951 -7.590 0.476 1.00 0.00 H new ATOM 1550 N SER B 33 -3.166 -8.463 3.251 1.00 0.00 N ATOM 1551 CA SER B 33 -3.286 -9.250 4.516 1.00 0.00 C ATOM 1552 C SER B 33 -2.033 -9.032 5.358 1.00 0.00 C ATOM 1553 O SER B 33 -2.084 -8.967 6.569 1.00 0.00 O ATOM 1554 CB SER B 33 -3.399 -10.730 4.172 1.00 0.00 C ATOM 1555 OG SER B 33 -2.101 -11.252 3.918 1.00 0.00 O ATOM 0 H SER B 33 -2.220 -8.400 2.874 1.00 0.00 H new ATOM 0 HA SER B 33 -4.168 -8.928 5.070 1.00 0.00 H new ATOM 0 HB2 SER B 33 -3.867 -11.272 4.994 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.036 -10.865 3.298 1.00 0.00 H new ATOM 0 HG SER B 33 -2.169 -12.205 3.698 1.00 0.00 H new ATOM 1561 N LEU B 34 -0.906 -8.928 4.708 1.00 0.00 N ATOM 1562 CA LEU B 34 0.384 -8.719 5.430 1.00 0.00 C ATOM 1563 C LEU B 34 0.198 -7.736 6.585 1.00 0.00 C ATOM 1564 O LEU B 34 0.488 -8.038 7.726 1.00 0.00 O ATOM 1565 CB LEU B 34 1.422 -8.151 4.459 1.00 0.00 C ATOM 1566 CG LEU B 34 1.356 -8.890 3.122 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.519 -8.437 2.236 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.453 -10.400 3.363 1.00 0.00 C ATOM 0 H LEU B 34 -0.822 -8.980 3.693 1.00 0.00 H new ATOM 0 HA LEU B 34 0.721 -9.677 5.827 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.242 -7.087 4.304 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.420 -8.246 4.886 1.00 0.00 H new ATOM 0 HG LEU B 34 0.411 -8.665 2.628 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.475 -8.962 1.282 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.448 -7.363 2.063 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.463 -8.663 2.731 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.406 -10.925 2.409 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.397 -10.630 3.857 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.625 -10.721 3.995 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.280 -6.560 6.296 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.478 -5.557 7.377 1.00 0.00 C ATOM 1582 C CYS B 35 -1.629 -6.008 8.283 1.00 0.00 C ATOM 1583 O CYS B 35 -2.692 -6.362 7.826 1.00 0.00 O ATOM 1584 CB CYS B 35 -0.792 -4.187 6.760 1.00 0.00 C ATOM 1585 SG CYS B 35 -1.887 -4.388 5.333 1.00 0.00 S ATOM 0 H CYS B 35 -0.542 -6.250 5.360 1.00 0.00 H new ATOM 0 HA CYS B 35 0.432 -5.473 7.971 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.263 -3.544 7.503 1.00 0.00 H new ATOM 0 HB3 CYS B 35 0.132 -3.696 6.454 1.00 0.00 H new ATOM 1590 N SER B 36 -1.403 -6.023 9.566 1.00 0.00 N ATOM 1591 CA SER B 36 -2.463 -6.465 10.518 1.00 0.00 C ATOM 1592 C SER B 36 -3.648 -5.489 10.527 1.00 0.00 C ATOM 1593 O SER B 36 -4.292 -5.313 11.542 1.00 0.00 O ATOM 1594 CB SER B 36 -1.871 -6.546 11.924 1.00 0.00 C ATOM 1595 OG SER B 36 -1.454 -5.250 12.334 1.00 0.00 O ATOM 0 H SER B 36 -0.523 -5.746 10.001 1.00 0.00 H new ATOM 0 HA SER B 36 -2.826 -7.442 10.198 1.00 0.00 H new ATOM 0 HB2 SER B 36 -2.611 -6.940 12.621 1.00 0.00 H new ATOM 0 HB3 SER B 36 -1.025 -7.233 11.936 1.00 0.00 H new ATOM 0 HG SER B 36 -1.075 -5.299 13.237 1.00 0.00 H new ATOM 1601 N GLN B 37 -3.958 -4.843 9.428 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.115 -3.892 9.445 1.00 0.00 C ATOM 1603 C GLN B 37 -5.727 -3.740 8.043 1.00 0.00 C ATOM 1604 O GLN B 37 -5.696 -2.663 7.484 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.637 -2.520 9.940 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.352 -2.112 9.211 1.00 0.00 C ATOM 1607 CD GLN B 37 -2.847 -0.782 9.774 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -2.470 -0.701 10.926 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -2.825 0.271 9.005 1.00 0.00 N ATOM 0 H GLN B 37 -3.471 -4.930 8.536 1.00 0.00 H new ATOM 0 HA GLN B 37 -5.878 -4.290 10.114 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.413 -1.773 9.770 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.458 -2.555 11.015 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.591 -2.883 9.333 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.542 -2.018 8.142 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -3.142 0.203 8.038 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -2.491 1.163 9.371 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.289 -4.807 7.517 1.00 0.00 N ATOM 1619 CA PRO B 38 -6.932 -4.764 6.187 1.00 0.00 C ATOM 1620 C PRO B 38 -8.193 -3.892 6.265 1.00 0.00 C ATOM 1621 O PRO B 38 -8.576 -3.425 7.318 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.290 -6.237 5.875 1.00 0.00 C ATOM 1623 CG PRO B 38 -7.012 -7.066 7.164 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.329 -6.127 8.184 1.00 0.00 C ATOM 0 HA PRO B 38 -6.294 -4.338 5.413 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.336 -6.324 5.581 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.693 -6.609 5.043 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -7.941 -7.463 7.572 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.372 -7.919 6.940 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -6.891 -6.082 9.117 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.326 -6.475 8.432 1.00 0.00 H new ATOM 1632 N ALA B 39 -8.836 -3.679 5.155 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.068 -2.852 5.141 1.00 0.00 C ATOM 1634 C ALA B 39 -10.744 -3.027 3.784 1.00 0.00 C ATOM 1635 O ALA B 39 -10.154 -3.547 2.857 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.697 -1.382 5.350 1.00 0.00 C ATOM 0 H ALA B 39 -8.556 -4.048 4.246 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.744 -3.162 5.938 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.601 -0.774 5.340 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.193 -1.267 6.310 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.032 -1.057 4.550 1.00 0.00 H new ATOM 1642 N VAL B 40 -11.964 -2.585 3.644 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.659 -2.716 2.328 1.00 0.00 C ATOM 1644 C VAL B 40 -12.525 -1.387 1.594 1.00 0.00 C ATOM 1645 O VAL B 40 -12.622 -0.329 2.185 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.141 -3.046 2.550 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -14.934 -2.792 1.262 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.272 -4.519 2.930 1.00 0.00 C ATOM 0 H VAL B 40 -12.510 -2.139 4.381 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.214 -3.519 1.741 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.534 -2.414 3.346 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -15.985 -3.029 1.429 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.839 -1.744 0.977 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.542 -3.422 0.463 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.323 -4.762 3.090 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -13.874 -5.139 2.126 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -13.713 -4.710 3.846 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.293 -1.440 0.310 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.134 -0.186 -0.493 1.00 0.00 C ATOM 1660 C VAL B 41 -13.264 -0.089 -1.520 1.00 0.00 C ATOM 1661 O VAL B 41 -13.404 -0.927 -2.381 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.780 -0.216 -1.203 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.406 1.191 -1.661 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.712 -0.728 -0.232 1.00 0.00 C ATOM 0 H VAL B 41 -12.206 -2.304 -0.224 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.179 0.683 0.163 1.00 0.00 H new ATOM 0 HB VAL B 41 -10.842 -0.875 -2.069 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.441 1.165 -2.166 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -11.165 1.564 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.345 1.851 -0.796 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.745 -0.751 -0.734 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.657 -0.065 0.631 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -9.973 -1.733 0.099 1.00 0.00 H new ATOM 1674 N PHE B 42 -14.081 0.927 -1.430 1.00 0.00 N ATOM 1675 CA PHE B 42 -15.211 1.065 -2.397 1.00 0.00 C ATOM 1676 C PHE B 42 -14.773 1.882 -3.614 1.00 0.00 C ATOM 1677 O PHE B 42 -14.158 2.922 -3.494 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.384 1.778 -1.718 1.00 0.00 C ATOM 1679 CG PHE B 42 -17.081 0.831 -0.769 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.747 -0.304 -1.272 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -17.073 1.085 0.616 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.404 -1.183 -0.390 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.729 0.208 1.496 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.396 -0.927 0.994 1.00 0.00 C ATOM 0 H PHE B 42 -14.016 1.666 -0.730 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.515 0.070 -2.721 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -16.025 2.652 -1.175 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -17.087 2.137 -2.470 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.754 -0.500 -2.334 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.562 1.955 1.002 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -18.914 -2.054 -0.775 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.722 0.404 2.558 1.00 0.00 H new ATOM 0 HZ PHE B 42 -18.901 -1.600 1.671 1.00 0.00 H new ATOM 1694 N GLN B 43 -15.122 1.424 -4.786 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.774 2.166 -6.033 1.00 0.00 C ATOM 1696 C GLN B 43 -16.003 2.992 -6.424 1.00 0.00 C ATOM 1697 O GLN B 43 -17.082 2.450 -6.593 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.432 1.154 -7.129 1.00 0.00 C ATOM 1699 CG GLN B 43 -13.188 0.357 -6.720 1.00 0.00 C ATOM 1700 CD GLN B 43 -13.082 -0.905 -7.579 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -13.725 -1.898 -7.302 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -12.292 -0.907 -8.618 1.00 0.00 N ATOM 0 H GLN B 43 -15.639 0.558 -4.934 1.00 0.00 H new ATOM 0 HA GLN B 43 -13.915 2.821 -5.889 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -15.272 0.479 -7.290 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -14.252 1.670 -8.072 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -12.295 0.969 -6.843 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -13.247 0.088 -5.665 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -11.752 -0.073 -8.850 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -12.214 -1.742 -9.198 1.00 0.00 H new ATOM 1711 N THR B 44 -15.877 4.301 -6.519 1.00 0.00 N ATOM 1712 CA THR B 44 -17.085 5.142 -6.838 1.00 0.00 C ATOM 1713 C THR B 44 -17.148 5.521 -8.317 1.00 0.00 C ATOM 1714 O THR B 44 -16.565 4.882 -9.170 1.00 0.00 O ATOM 1715 CB THR B 44 -17.038 6.424 -6.010 1.00 0.00 C ATOM 1716 OG1 THR B 44 -16.186 7.361 -6.649 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.497 6.106 -4.615 1.00 0.00 C ATOM 0 H THR B 44 -15.006 4.816 -6.392 1.00 0.00 H new ATOM 0 HA THR B 44 -17.969 4.551 -6.599 1.00 0.00 H new ATOM 0 HB THR B 44 -18.040 6.844 -5.922 1.00 0.00 H new ATOM 0 HG1 THR B 44 -16.532 8.267 -6.508 1.00 0.00 H new ATOM 0 HG21 THR B 44 -16.462 7.019 -4.021 1.00 0.00 H new ATOM 0 HG22 THR B 44 -17.150 5.381 -4.128 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.493 5.690 -4.700 1.00 0.00 H new ATOM 1725 N LYS B 45 -17.882 6.568 -8.612 1.00 0.00 N ATOM 1726 CA LYS B 45 -18.045 7.036 -10.021 1.00 0.00 C ATOM 1727 C LYS B 45 -17.318 8.370 -10.217 1.00 0.00 C ATOM 1728 O LYS B 45 -16.970 8.734 -11.323 1.00 0.00 O ATOM 1729 CB LYS B 45 -19.531 7.253 -10.305 1.00 0.00 C ATOM 1730 CG LYS B 45 -20.329 6.033 -9.850 1.00 0.00 C ATOM 1731 CD LYS B 45 -21.821 6.282 -10.091 1.00 0.00 C ATOM 1732 CE LYS B 45 -22.565 4.949 -10.085 1.00 0.00 C ATOM 1733 NZ LYS B 45 -22.378 4.278 -8.768 1.00 0.00 N ATOM 0 H LYS B 45 -18.383 7.126 -7.921 1.00 0.00 H new ATOM 0 HA LYS B 45 -17.629 6.287 -10.695 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -19.884 8.144 -9.785 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -19.686 7.423 -11.370 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -20.004 5.148 -10.396 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -20.147 5.840 -8.793 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -22.221 6.938 -9.318 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -21.967 6.788 -11.045 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -23.626 5.112 -10.274 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -22.193 4.310 -10.886 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -21.947 3.343 -8.913 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -21.756 4.857 -8.169 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -23.301 4.165 -8.302 1.00 0.00 H new ATOM 1747 N ARG B 46 -17.107 9.111 -9.153 1.00 0.00 N ATOM 1748 CA ARG B 46 -16.423 10.443 -9.267 1.00 0.00 C ATOM 1749 C ARG B 46 -15.240 10.481 -8.296 1.00 0.00 C ATOM 1750 O ARG B 46 -15.073 11.401 -7.527 1.00 0.00 O ATOM 1751 CB ARG B 46 -17.436 11.553 -8.920 1.00 0.00 C ATOM 1752 CG ARG B 46 -17.009 12.918 -9.514 1.00 0.00 C ATOM 1753 CD ARG B 46 -15.975 13.627 -8.622 1.00 0.00 C ATOM 1754 NE ARG B 46 -16.046 15.095 -8.866 1.00 0.00 N ATOM 1755 CZ ARG B 46 -15.504 15.922 -8.016 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -14.907 15.464 -6.950 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -15.563 17.208 -8.229 1.00 0.00 N ATOM 0 H ARG B 46 -17.380 8.850 -8.206 1.00 0.00 H new ATOM 0 HA ARG B 46 -16.055 10.598 -10.281 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -18.420 11.281 -9.302 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -17.527 11.639 -7.837 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -16.589 12.767 -10.509 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -17.886 13.554 -9.631 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -16.172 13.410 -7.572 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -14.973 13.257 -8.841 1.00 0.00 H new ATOM 0 HE ARG B 46 -16.518 15.453 -9.697 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -14.864 14.459 -6.782 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -14.483 16.111 -6.285 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -16.033 17.566 -9.060 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -15.139 17.855 -7.564 1.00 0.00 H new ATOM 1771 N SER B 47 -14.410 9.480 -8.336 1.00 0.00 N ATOM 1772 CA SER B 47 -13.230 9.450 -7.444 1.00 0.00 C ATOM 1773 C SER B 47 -12.315 8.324 -7.909 1.00 0.00 C ATOM 1774 O SER B 47 -11.848 8.312 -9.031 1.00 0.00 O ATOM 1775 CB SER B 47 -13.664 9.225 -5.988 1.00 0.00 C ATOM 1776 OG SER B 47 -14.103 7.886 -5.821 1.00 0.00 O ATOM 0 H SER B 47 -14.503 8.675 -8.956 1.00 0.00 H new ATOM 0 HA SER B 47 -12.702 10.403 -7.488 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.832 9.432 -5.314 1.00 0.00 H new ATOM 0 HB3 SER B 47 -14.465 9.916 -5.726 1.00 0.00 H new ATOM 0 HG SER B 47 -15.003 7.788 -6.195 1.00 0.00 H new ATOM 1782 N LYS B 48 -12.074 7.376 -7.068 1.00 0.00 N ATOM 1783 CA LYS B 48 -11.210 6.232 -7.443 1.00 0.00 C ATOM 1784 C LYS B 48 -11.546 5.087 -6.506 1.00 0.00 C ATOM 1785 O LYS B 48 -12.392 4.262 -6.786 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.733 6.610 -7.276 1.00 0.00 C ATOM 1787 CG LYS B 48 -9.330 7.631 -8.346 1.00 0.00 C ATOM 1788 CD LYS B 48 -7.803 7.711 -8.430 1.00 0.00 C ATOM 1789 CE LYS B 48 -7.403 8.633 -9.583 1.00 0.00 C ATOM 1790 NZ LYS B 48 -7.738 7.981 -10.880 1.00 0.00 N ATOM 0 H LYS B 48 -12.444 7.340 -6.118 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.378 5.952 -8.483 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.566 7.026 -6.283 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -9.110 5.720 -7.358 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.743 7.342 -9.313 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.743 8.610 -8.103 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -7.396 8.087 -7.492 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -7.384 6.717 -8.583 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -7.924 9.586 -9.498 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -6.335 8.848 -9.537 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -7.171 8.408 -11.640 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -7.529 6.964 -10.822 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -8.749 8.115 -11.085 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.900 5.060 -5.373 1.00 0.00 N ATOM 1805 CA GLN B 49 -11.162 4.002 -4.359 1.00 0.00 C ATOM 1806 C GLN B 49 -11.246 4.684 -2.986 1.00 0.00 C ATOM 1807 O GLN B 49 -10.566 5.662 -2.729 1.00 0.00 O ATOM 1808 CB GLN B 49 -10.019 2.956 -4.389 1.00 0.00 C ATOM 1809 CG GLN B 49 -9.237 3.067 -5.702 1.00 0.00 C ATOM 1810 CD GLN B 49 -8.251 1.903 -5.809 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -8.292 0.982 -5.018 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -7.360 1.904 -6.763 1.00 0.00 N ATOM 0 H GLN B 49 -10.189 5.740 -5.103 1.00 0.00 H new ATOM 0 HA GLN B 49 -12.096 3.480 -4.570 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -9.349 3.114 -3.544 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -10.431 1.952 -4.286 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -9.924 3.055 -6.549 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -8.701 4.016 -5.740 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -7.325 2.677 -7.427 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -6.699 1.132 -6.844 1.00 0.00 H new ATOM 1821 N VAL B 50 -12.085 4.192 -2.112 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.229 4.820 -0.759 1.00 0.00 C ATOM 1823 C VAL B 50 -12.195 3.736 0.308 1.00 0.00 C ATOM 1824 O VAL B 50 -12.953 2.793 0.266 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.566 5.564 -0.690 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.594 6.448 0.560 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.730 6.425 -1.950 1.00 0.00 C ATOM 0 H VAL B 50 -12.680 3.380 -2.275 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.411 5.520 -0.589 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.386 4.848 -0.636 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.545 6.978 0.610 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.478 5.826 1.448 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.779 7.170 0.513 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.680 6.957 -1.906 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -12.914 7.145 -2.008 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.713 5.785 -2.832 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.322 3.868 1.266 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.226 2.842 2.336 1.00 0.00 C ATOM 1839 C CYS B 51 -12.442 2.952 3.252 1.00 0.00 C ATOM 1840 O CYS B 51 -13.013 4.012 3.422 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.950 3.078 3.143 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.510 2.869 2.065 1.00 0.00 S ATOM 0 H CYS B 51 -10.669 4.646 1.353 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.197 1.846 1.893 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.956 4.081 3.569 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.899 2.378 3.977 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.856 1.856 3.832 1.00 0.00 N ATOM 1848 CA ALA B 52 -14.051 1.881 4.727 1.00 0.00 C ATOM 1849 C ALA B 52 -13.838 0.921 5.899 1.00 0.00 C ATOM 1850 O ALA B 52 -13.367 -0.188 5.731 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.282 1.436 3.933 1.00 0.00 C ATOM 0 H ALA B 52 -12.417 0.942 3.724 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.197 2.892 5.108 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.158 1.452 4.581 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.439 2.114 3.094 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.127 0.424 3.558 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.186 1.341 7.085 1.00 0.00 N ATOM 1858 CA ASP B 53 -14.012 0.461 8.274 1.00 0.00 C ATOM 1859 C ASP B 53 -15.008 -0.722 8.183 1.00 0.00 C ATOM 1860 O ASP B 53 -16.200 -0.487 8.202 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.317 1.271 9.538 1.00 0.00 C ATOM 1862 CG ASP B 53 -13.640 2.639 9.444 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -13.942 3.364 8.512 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -12.831 2.938 10.307 1.00 0.00 O ATOM 0 H ASP B 53 -14.585 2.259 7.281 1.00 0.00 H new ATOM 0 HA ASP B 53 -12.991 0.082 8.308 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -15.394 1.394 9.653 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -13.961 0.737 10.419 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.536 -1.960 8.092 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.459 -3.112 8.008 1.00 0.00 C ATOM 1871 C PRO B 54 -16.339 -3.172 9.266 1.00 0.00 C ATOM 1872 O PRO B 54 -17.267 -3.952 9.351 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.544 -4.356 7.908 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.070 -3.859 7.924 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.097 -2.322 8.064 1.00 0.00 C ATOM 0 HA PRO B 54 -16.135 -3.045 7.155 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -14.728 -5.035 8.741 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -14.751 -4.911 6.993 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.523 -4.309 8.752 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.557 -4.151 7.007 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.592 -2.000 8.975 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.586 -1.841 7.230 1.00 0.00 H new ATOM 1883 N SER B 55 -16.043 -2.363 10.244 1.00 0.00 N ATOM 1884 CA SER B 55 -16.847 -2.381 11.499 1.00 0.00 C ATOM 1885 C SER B 55 -18.168 -1.635 11.290 1.00 0.00 C ATOM 1886 O SER B 55 -19.103 -1.793 12.049 1.00 0.00 O ATOM 1887 CB SER B 55 -16.054 -1.706 12.618 1.00 0.00 C ATOM 1888 OG SER B 55 -15.642 -0.416 12.187 1.00 0.00 O ATOM 0 H SER B 55 -15.278 -1.689 10.229 1.00 0.00 H new ATOM 0 HA SER B 55 -17.062 -3.415 11.770 1.00 0.00 H new ATOM 0 HB2 SER B 55 -16.667 -1.624 13.516 1.00 0.00 H new ATOM 0 HB3 SER B 55 -15.185 -2.310 12.879 1.00 0.00 H new ATOM 0 HG SER B 55 -15.134 0.021 12.902 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.259 -0.827 10.269 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.528 -0.082 10.023 1.00 0.00 C ATOM 1896 C GLU B 56 -20.525 -1.006 9.314 1.00 0.00 C ATOM 1897 O GLU B 56 -20.268 -1.519 8.243 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.241 1.148 9.158 1.00 0.00 C ATOM 1899 CG GLU B 56 -18.679 2.276 10.029 1.00 0.00 C ATOM 1900 CD GLU B 56 -18.393 3.501 9.158 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -17.990 3.314 8.022 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -18.581 4.604 9.643 1.00 0.00 O ATOM 0 H GLU B 56 -17.513 -0.650 9.596 1.00 0.00 H new ATOM 0 HA GLU B 56 -19.954 0.246 10.971 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.529 0.894 8.373 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.155 1.478 8.665 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -19.391 2.533 10.813 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -17.765 1.947 10.523 1.00 0.00 H new ATOM 1909 N SER B 57 -21.650 -1.233 9.928 1.00 0.00 N ATOM 1910 CA SER B 57 -22.680 -2.137 9.340 1.00 0.00 C ATOM 1911 C SER B 57 -22.964 -1.798 7.872 1.00 0.00 C ATOM 1912 O SER B 57 -23.123 -2.679 7.051 1.00 0.00 O ATOM 1913 CB SER B 57 -23.973 -2.009 10.144 1.00 0.00 C ATOM 1914 OG SER B 57 -25.003 -2.745 9.496 1.00 0.00 O ATOM 0 H SER B 57 -21.905 -0.825 10.827 1.00 0.00 H new ATOM 0 HA SER B 57 -22.298 -3.157 9.381 1.00 0.00 H new ATOM 0 HB2 SER B 57 -23.824 -2.384 11.157 1.00 0.00 H new ATOM 0 HB3 SER B 57 -24.259 -0.961 10.231 1.00 0.00 H new ATOM 0 HG SER B 57 -25.834 -2.667 10.010 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.061 -0.542 7.530 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.369 -0.200 6.111 1.00 0.00 C ATOM 1922 C TRP B 58 -22.289 -0.769 5.194 1.00 0.00 C ATOM 1923 O TRP B 58 -22.543 -1.104 4.056 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.506 1.319 5.940 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.177 2.004 5.928 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -21.674 2.726 6.952 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.201 2.090 4.849 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.451 3.250 6.576 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.109 2.881 5.292 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.155 1.562 3.539 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.008 3.141 4.465 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -20.052 1.821 2.703 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -18.979 2.609 3.166 1.00 0.00 C ATOM 0 H TRP B 58 -22.943 0.251 8.160 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.323 -0.649 5.834 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.032 1.533 5.010 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.114 1.722 6.750 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.150 2.871 7.910 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -19.872 3.838 7.175 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -21.972 0.955 3.176 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.188 3.746 4.824 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -20.028 1.414 1.703 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.134 2.804 2.522 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.092 -0.907 5.682 1.00 0.00 N ATOM 1945 CA VAL B 59 -20.015 -1.476 4.831 1.00 0.00 C ATOM 1946 C VAL B 59 -20.307 -2.952 4.582 1.00 0.00 C ATOM 1947 O VAL B 59 -20.241 -3.429 3.469 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.676 -1.325 5.548 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.556 -1.932 4.698 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.413 0.161 5.770 1.00 0.00 C ATOM 0 H VAL B 59 -20.813 -0.652 6.629 1.00 0.00 H new ATOM 0 HA VAL B 59 -19.973 -0.949 3.878 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.705 -1.846 6.505 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.604 -1.820 5.217 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.757 -2.991 4.533 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.509 -1.418 3.738 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.459 0.289 6.282 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.380 0.672 4.808 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.211 0.585 6.379 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.641 -3.676 5.609 1.00 0.00 N ATOM 1961 CA GLN B 60 -20.948 -5.121 5.423 1.00 0.00 C ATOM 1962 C GLN B 60 -22.182 -5.266 4.527 1.00 0.00 C ATOM 1963 O GLN B 60 -22.256 -6.145 3.693 1.00 0.00 O ATOM 1964 CB GLN B 60 -21.222 -5.767 6.783 1.00 0.00 C ATOM 1965 CG GLN B 60 -20.023 -5.540 7.706 1.00 0.00 C ATOM 1966 CD GLN B 60 -20.296 -6.185 9.067 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -20.602 -7.358 9.144 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -20.198 -5.463 10.149 1.00 0.00 N ATOM 0 H GLN B 60 -20.715 -3.333 6.567 1.00 0.00 H new ATOM 0 HA GLN B 60 -20.098 -5.617 4.955 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -22.122 -5.340 7.226 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -21.403 -6.835 6.661 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -19.124 -5.968 7.263 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -19.841 -4.472 7.828 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -19.941 -4.478 10.083 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -20.378 -5.883 11.061 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.149 -4.407 4.698 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.381 -4.490 3.861 1.00 0.00 C ATOM 1979 C GLU B 61 -24.039 -4.202 2.398 1.00 0.00 C ATOM 1980 O GLU B 61 -24.409 -4.940 1.507 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.403 -3.464 4.357 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.733 -3.677 3.631 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.776 -2.699 4.175 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -27.627 -2.275 5.309 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -28.705 -2.389 3.447 1.00 0.00 O ATOM 0 H GLU B 61 -23.140 -3.650 5.382 1.00 0.00 H new ATOM 0 HA GLU B 61 -24.800 -5.493 3.939 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.543 -3.566 5.433 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -25.036 -2.453 4.178 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -26.602 -3.526 2.559 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -27.074 -4.703 3.769 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.340 -3.131 2.143 1.00 0.00 N ATOM 1993 CA TYR B 62 -22.980 -2.791 0.735 1.00 0.00 C ATOM 1994 C TYR B 62 -22.086 -3.888 0.145 1.00 0.00 C ATOM 1995 O TYR B 62 -22.184 -4.213 -1.021 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.246 -1.439 0.697 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.245 -0.294 0.714 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.229 -0.216 1.722 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -23.190 0.698 -0.288 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -25.153 0.849 1.725 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -24.113 1.760 -0.282 1.00 0.00 C ATOM 2002 CZ TYR B 62 -25.093 1.835 0.724 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.999 2.877 0.726 1.00 0.00 O ATOM 0 H TYR B 62 -23.002 -2.476 2.848 1.00 0.00 H new ATOM 0 HA TYR B 62 -23.891 -2.719 0.141 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.575 -1.358 1.552 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.628 -1.378 -0.199 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.275 -0.972 2.492 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.438 0.642 -1.061 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.907 0.908 2.496 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -24.069 2.518 -1.050 1.00 0.00 H new ATOM 0 HH TYR B 62 -26.610 2.778 1.486 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.226 -4.470 0.934 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.355 -5.547 0.397 1.00 0.00 C ATOM 2015 C VAL B 63 -21.248 -6.713 0.000 1.00 0.00 C ATOM 2016 O VAL B 63 -21.052 -7.349 -1.014 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.360 -5.991 1.476 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -18.665 -7.288 1.045 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.307 -4.898 1.676 1.00 0.00 C ATOM 0 H VAL B 63 -21.091 -4.247 1.920 1.00 0.00 H new ATOM 0 HA VAL B 63 -19.792 -5.192 -0.466 1.00 0.00 H new ATOM 0 HB VAL B 63 -19.897 -6.163 2.409 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -17.960 -7.597 1.817 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.411 -8.070 0.901 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.130 -7.121 0.110 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.598 -5.211 2.443 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -17.776 -4.728 0.739 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -18.795 -3.975 1.989 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.236 -6.988 0.800 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.157 -8.103 0.483 1.00 0.00 C ATOM 2031 C TYR B 64 -23.904 -7.779 -0.808 1.00 0.00 C ATOM 2032 O TYR B 64 -24.084 -8.617 -1.667 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.159 -8.270 1.631 1.00 0.00 C ATOM 2034 CG TYR B 64 -24.792 -9.642 1.567 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.058 -10.774 1.970 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.115 -9.787 1.104 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -24.646 -12.052 1.911 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -26.703 -11.066 1.046 1.00 0.00 C ATOM 2039 CZ TYR B 64 -25.969 -12.198 1.449 1.00 0.00 C ATOM 2040 OH TYR B 64 -26.546 -13.450 1.391 1.00 0.00 O ATOM 0 H TYR B 64 -22.444 -6.485 1.663 1.00 0.00 H new ATOM 0 HA TYR B 64 -22.594 -9.028 0.356 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -23.654 -8.137 2.588 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -24.929 -7.501 1.568 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.044 -10.662 2.324 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -26.678 -8.919 0.794 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.083 -12.920 2.220 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -27.717 -11.178 0.692 1.00 0.00 H new ATOM 0 HH TYR B 64 -27.462 -13.373 1.051 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.343 -6.562 -0.940 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.090 -6.156 -2.165 1.00 0.00 C ATOM 2052 C ASP B 65 -24.198 -6.329 -3.399 1.00 0.00 C ATOM 2053 O ASP B 65 -24.659 -6.688 -4.464 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.503 -4.686 -2.031 1.00 0.00 C ATOM 2055 CG ASP B 65 -26.732 -4.577 -1.122 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -27.649 -5.361 -1.302 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -26.732 -3.711 -0.262 1.00 0.00 O ATOM 0 H ASP B 65 -24.217 -5.823 -0.248 1.00 0.00 H new ATOM 0 HA ASP B 65 -25.976 -6.781 -2.278 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -24.680 -4.103 -1.618 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -25.727 -4.270 -3.013 1.00 0.00 H new ATOM 2062 N LEU B 66 -22.928 -6.077 -3.262 1.00 0.00 N ATOM 2063 CA LEU B 66 -22.006 -6.224 -4.423 1.00 0.00 C ATOM 2064 C LEU B 66 -21.798 -7.710 -4.727 1.00 0.00 C ATOM 2065 O LEU B 66 -21.555 -8.095 -5.854 1.00 0.00 O ATOM 2066 CB LEU B 66 -20.662 -5.569 -4.073 1.00 0.00 C ATOM 2067 CG LEU B 66 -20.746 -4.040 -4.269 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -19.653 -3.353 -3.446 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.542 -3.677 -5.749 1.00 0.00 C ATOM 0 H LEU B 66 -22.486 -5.775 -2.394 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.432 -5.740 -5.302 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.396 -5.796 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -19.874 -5.981 -4.703 1.00 0.00 H new ATOM 0 HG LEU B 66 -21.731 -3.706 -3.943 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -19.715 -2.274 -3.587 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -19.789 -3.590 -2.391 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -18.675 -3.706 -3.774 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -20.604 -2.596 -5.870 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -19.562 -4.023 -6.077 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.315 -4.155 -6.351 1.00 0.00 H new ATOM 2081 N GLU B 67 -21.896 -8.545 -3.734 1.00 0.00 N ATOM 2082 CA GLU B 67 -21.708 -10.006 -3.964 1.00 0.00 C ATOM 2083 C GLU B 67 -22.920 -10.560 -4.712 1.00 0.00 C ATOM 2084 O GLU B 67 -22.819 -11.505 -5.466 1.00 0.00 O ATOM 2085 CB GLU B 67 -21.578 -10.717 -2.616 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.280 -10.288 -1.928 1.00 0.00 C ATOM 2087 CD GLU B 67 -19.096 -11.049 -2.530 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -19.297 -11.728 -3.524 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -18.009 -10.942 -1.985 1.00 0.00 O ATOM 0 H GLU B 67 -22.099 -8.281 -2.770 1.00 0.00 H new ATOM 0 HA GLU B 67 -20.807 -10.171 -4.554 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.433 -10.476 -1.984 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -21.583 -11.797 -2.762 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -20.132 -9.215 -2.047 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.343 -10.484 -0.858 1.00 0.00 H new ATOM 2096 N LEU B 68 -24.065 -9.972 -4.509 1.00 0.00 N ATOM 2097 CA LEU B 68 -25.286 -10.460 -5.210 1.00 0.00 C ATOM 2098 C LEU B 68 -25.263 -9.980 -6.664 1.00 0.00 C ATOM 2099 O LEU B 68 -24.446 -10.405 -7.455 1.00 0.00 O ATOM 2100 CB LEU B 68 -26.533 -9.918 -4.516 1.00 0.00 C ATOM 2101 CG LEU B 68 -26.570 -10.400 -3.063 1.00 0.00 C ATOM 2102 CD1 LEU B 68 -27.789 -9.791 -2.381 1.00 0.00 C ATOM 2103 CD2 LEU B 68 -26.662 -11.939 -3.008 1.00 0.00 C ATOM 0 H LEU B 68 -24.209 -9.175 -3.889 1.00 0.00 H new ATOM 0 HA LEU B 68 -25.305 -11.550 -5.183 1.00 0.00 H new ATOM 0 HB2 LEU B 68 -26.533 -8.828 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU B 68 -27.427 -10.252 -5.042 1.00 0.00 H new ATOM 0 HG LEU B 68 -25.657 -10.091 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU B 68 -27.830 -10.125 -1.344 1.00 0.00 H new ATOM 0 HD12 LEU B 68 -27.717 -8.704 -2.410 1.00 0.00 H new ATOM 0 HD13 LEU B 68 -28.693 -10.108 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU B 68 -26.687 -12.265 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU B 68 -27.570 -12.268 -3.514 1.00 0.00 H new ATOM 0 HD23 LEU B 68 -25.794 -12.373 -3.503 1.00 0.00 H new ATOM 2115 N ASN B 69 -26.156 -9.094 -7.025 1.00 0.00 N ATOM 2116 CA ASN B 69 -26.187 -8.585 -8.426 1.00 0.00 C ATOM 2117 C ASN B 69 -25.275 -7.362 -8.545 1.00 0.00 C ATOM 2118 O ASN B 69 -24.109 -7.545 -8.851 1.00 0.00 O ATOM 2119 CB ASN B 69 -27.619 -8.188 -8.791 1.00 0.00 C ATOM 2120 CG ASN B 69 -28.197 -7.292 -7.694 1.00 0.00 C ATOM 2121 OD1 ASN B 69 -28.050 -6.086 -7.738 1.00 0.00 O ATOM 2122 ND2 ASN B 69 -28.853 -7.834 -6.704 1.00 0.00 N ATOM 2123 OXT ASN B 69 -25.759 -6.263 -8.327 1.00 0.00 O ATOM 0 H ASN B 69 -26.866 -8.701 -6.407 1.00 0.00 H new ATOM 0 HA ASN B 69 -25.840 -9.365 -9.104 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -27.630 -7.664 -9.746 1.00 0.00 H new ATOM 0 HB3 ASN B 69 -28.235 -9.079 -8.910 1.00 0.00 H new ATOM 0 HD21 ASN B 69 -29.242 -7.246 -5.967 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -28.976 -8.846 -6.667 1.00 0.00 H new TER 2130 ASN B 69 HETATM 2131 O HOH A 201 6.261 1.565 5.493 1.00 0.00 O HETATM 2134 O HOH A 202 4.151 5.676 6.144 1.00 0.00 O HETATM 2137 O HOH B 301 -6.383 -1.431 5.498 1.00 0.00 O HETATM 2140 O HOH B 302 -4.274 -5.533 6.211 1.00 0.00 O