USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 788 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 30 SER OG : rot -101:sc= 0.872 USER MOD Set 1.2: B 33 HIS : no HE2:sc= -14.3! C(o=-13!,f=-19!) USER MOD Set 2.1: A 30 SER OG : rot -101:sc= 0.846 USER MOD Set 2.2: A 33 HIS : no HE2:sc= -14.4! C(o=-14!,f=-18!) USER MOD Single : A 8 GLN : amide:sc= -0.718 K(o=-0.72,f=-4.4!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 128:sc= -1.19! USER MOD Single : A 13 TYR OH : rot 12:sc= -9.17! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= 0.0109 (180deg=0.00776) USER MOD Single : A 36 ASN : amide:sc= -1.88 X(o=-1.9,f=-1.9) USER MOD Single : A 37 THR OG1 : rot -40:sc= 0.482 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc=-0.000812 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 GLN : amide:sc= -0.527 K(o=-0.53,f=-4.4!) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot 118:sc= -0.937 USER MOD Single : B 13 TYR OH : rot 12:sc= -9.07! USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 LYS NZ :NH3+ -171:sc= 0.00913 (180deg=0.00655) USER MOD Single : B 36 ASN :FLIP amide:sc= -1.77 F(o=-3.2!,f=-1.8) USER MOD Single : B 37 THR OG1 : rot -41:sc= 0.531 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 SER OG : rot 180:sc= 0.00687 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 104 N CYS A 7 3.364 19.431 -3.011 1.00 0.00 N ATOM 105 CA CYS A 7 4.491 18.456 -3.056 1.00 0.00 C ATOM 106 C CYS A 7 4.244 17.435 -4.169 1.00 0.00 C ATOM 107 O CYS A 7 4.636 17.631 -5.302 1.00 0.00 O ATOM 108 CB CYS A 7 4.591 17.732 -1.713 1.00 0.00 C ATOM 109 SG CYS A 7 5.893 18.495 -0.714 1.00 0.00 S ATOM 0 HA CYS A 7 5.422 18.988 -3.254 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.637 17.783 -1.188 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.811 16.676 -1.872 1.00 0.00 H new ATOM 114 N GLN A 8 3.600 16.345 -3.855 1.00 0.00 N ATOM 115 CA GLN A 8 3.332 15.313 -4.895 1.00 0.00 C ATOM 116 C GLN A 8 1.915 15.490 -5.443 1.00 0.00 C ATOM 117 O GLN A 8 1.718 16.012 -6.523 1.00 0.00 O ATOM 118 CB GLN A 8 3.472 13.927 -4.284 1.00 0.00 C ATOM 119 CG GLN A 8 4.585 13.160 -5.002 1.00 0.00 C ATOM 120 CD GLN A 8 5.832 13.131 -4.135 1.00 0.00 C ATOM 121 OE1 GLN A 8 5.827 13.605 -3.016 1.00 0.00 O ATOM 122 NE2 GLN A 8 6.909 12.586 -4.612 1.00 0.00 N ATOM 0 H GLN A 8 3.248 16.125 -2.923 1.00 0.00 H new ATOM 0 HA GLN A 8 4.049 15.425 -5.708 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.700 14.008 -3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.530 13.385 -4.368 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.257 12.143 -5.218 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.807 13.633 -5.958 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.907 12.190 -5.552 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.758 12.554 -4.047 1.00 0.00 H new ATOM 131 N CYS A 9 0.925 15.059 -4.709 1.00 0.00 N ATOM 132 CA CYS A 9 -0.478 15.204 -5.192 1.00 0.00 C ATOM 133 C CYS A 9 -1.436 15.200 -3.996 1.00 0.00 C ATOM 134 O CYS A 9 -1.063 14.854 -2.892 1.00 0.00 O ATOM 135 CB CYS A 9 -0.819 14.036 -6.127 1.00 0.00 C ATOM 136 SG CYS A 9 -1.030 12.518 -5.157 1.00 0.00 S ATOM 0 H CYS A 9 1.027 14.613 -3.797 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.580 16.145 -5.733 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.732 14.255 -6.680 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.025 13.902 -6.862 1.00 0.00 H new ATOM 141 N ILE A 10 -2.669 15.571 -4.209 1.00 0.00 N ATOM 142 CA ILE A 10 -3.649 15.575 -3.086 1.00 0.00 C ATOM 143 C ILE A 10 -4.833 14.677 -3.447 1.00 0.00 C ATOM 144 O ILE A 10 -5.691 14.403 -2.631 1.00 0.00 O ATOM 145 CB ILE A 10 -4.152 16.997 -2.833 1.00 0.00 C ATOM 146 CG1 ILE A 10 -2.990 17.992 -2.935 1.00 0.00 C ATOM 147 CG2 ILE A 10 -4.753 17.067 -1.431 1.00 0.00 C ATOM 148 CD1 ILE A 10 -3.432 19.209 -3.750 1.00 0.00 C ATOM 0 H ILE A 10 -3.040 15.871 -5.111 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.162 15.203 -2.185 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.905 17.252 -3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.675 18.303 -1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.130 17.517 -3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.115 18.077 -1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.583 16.364 -1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.991 16.810 -0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.607 19.917 -3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.726 18.890 -4.750 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.279 19.688 -3.258 1.00 0.00 H new ATOM 160 N LYS A 11 -4.889 14.225 -4.668 1.00 0.00 N ATOM 161 CA LYS A 11 -6.008 13.356 -5.101 1.00 0.00 C ATOM 162 C LYS A 11 -5.482 11.948 -5.400 1.00 0.00 C ATOM 163 O LYS A 11 -4.371 11.601 -5.050 1.00 0.00 O ATOM 164 CB LYS A 11 -6.631 13.945 -6.369 1.00 0.00 C ATOM 165 CG LYS A 11 -5.618 14.822 -7.108 1.00 0.00 C ATOM 166 CD LYS A 11 -6.145 15.126 -8.509 1.00 0.00 C ATOM 167 CE LYS A 11 -7.277 16.150 -8.418 1.00 0.00 C ATOM 168 NZ LYS A 11 -7.441 16.829 -9.734 1.00 0.00 N ATOM 0 H LYS A 11 -4.197 14.425 -5.390 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.756 13.299 -4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.969 13.141 -7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.510 14.535 -6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.453 15.749 -6.559 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.656 14.313 -7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.341 15.512 -9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.505 14.211 -8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.206 15.656 -8.133 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.056 16.884 -7.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.211 17.525 -9.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.556 17.313 -9.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.671 16.123 -10.463 1.00 0.00 H new ATOM 182 N THR A 12 -6.271 11.140 -6.054 1.00 0.00 N ATOM 183 CA THR A 12 -5.826 9.757 -6.392 1.00 0.00 C ATOM 184 C THR A 12 -4.602 9.797 -7.272 1.00 0.00 C ATOM 185 O THR A 12 -4.020 10.833 -7.530 1.00 0.00 O ATOM 186 CB THR A 12 -6.938 9.019 -7.122 1.00 0.00 C ATOM 187 OG1 THR A 12 -7.052 9.525 -8.444 1.00 0.00 O ATOM 188 CG2 THR A 12 -8.259 9.214 -6.378 1.00 0.00 C ATOM 0 H THR A 12 -7.211 11.379 -6.371 1.00 0.00 H new ATOM 0 HA THR A 12 -5.585 9.238 -5.465 1.00 0.00 H new ATOM 0 HB THR A 12 -6.704 7.955 -7.161 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.016 8.783 -9.083 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.054 8.684 -6.903 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.168 8.820 -5.366 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.498 10.276 -6.334 1.00 0.00 H new ATOM 196 N TYR A 13 -4.231 8.660 -7.751 1.00 0.00 N ATOM 197 CA TYR A 13 -3.070 8.564 -8.645 1.00 0.00 C ATOM 198 C TYR A 13 -3.175 9.677 -9.682 1.00 0.00 C ATOM 199 O TYR A 13 -2.206 10.298 -10.070 1.00 0.00 O ATOM 200 CB TYR A 13 -3.116 7.184 -9.281 1.00 0.00 C ATOM 201 CG TYR A 13 -4.111 7.182 -10.401 1.00 0.00 C ATOM 202 CD1 TYR A 13 -3.682 7.529 -11.669 1.00 0.00 C ATOM 203 CD2 TYR A 13 -5.441 6.809 -10.184 1.00 0.00 C ATOM 204 CE1 TYR A 13 -4.558 7.501 -12.739 1.00 0.00 C ATOM 205 CE2 TYR A 13 -6.332 6.788 -11.256 1.00 0.00 C ATOM 206 CZ TYR A 13 -5.886 7.129 -12.543 1.00 0.00 C ATOM 207 OH TYR A 13 -6.746 7.093 -13.617 1.00 0.00 O ATOM 0 H TYR A 13 -4.695 7.773 -7.555 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.121 8.684 -8.123 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.130 6.912 -9.657 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.390 6.437 -8.536 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.655 7.824 -11.825 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.776 6.539 -9.193 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.212 7.768 -13.727 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.363 6.510 -11.097 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.233 7.166 -14.449 1.00 0.00 H new ATOM 217 N SER A 14 -4.362 9.907 -10.125 1.00 0.00 N ATOM 218 CA SER A 14 -4.626 10.952 -11.144 1.00 0.00 C ATOM 219 C SER A 14 -6.133 11.026 -11.323 1.00 0.00 C ATOM 220 O SER A 14 -6.717 12.069 -11.539 1.00 0.00 O ATOM 221 CB SER A 14 -3.983 10.537 -12.469 1.00 0.00 C ATOM 222 OG SER A 14 -3.694 11.700 -13.234 1.00 0.00 O ATOM 0 H SER A 14 -5.192 9.401 -9.817 1.00 0.00 H new ATOM 0 HA SER A 14 -4.217 11.914 -10.836 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.069 9.974 -12.282 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.654 9.881 -13.023 1.00 0.00 H new ATOM 0 HG SER A 14 -3.280 11.439 -14.083 1.00 0.00 H new ATOM 228 N LYS A 15 -6.745 9.879 -11.253 1.00 0.00 N ATOM 229 CA LYS A 15 -8.204 9.754 -11.431 1.00 0.00 C ATOM 230 C LYS A 15 -8.760 8.784 -10.387 1.00 0.00 C ATOM 231 O LYS A 15 -8.038 7.971 -9.857 1.00 0.00 O ATOM 232 CB LYS A 15 -8.425 9.125 -12.790 1.00 0.00 C ATOM 233 CG LYS A 15 -7.533 9.805 -13.829 1.00 0.00 C ATOM 234 CD LYS A 15 -8.372 10.185 -15.045 1.00 0.00 C ATOM 235 CE LYS A 15 -9.539 11.066 -14.598 1.00 0.00 C ATOM 236 NZ LYS A 15 -9.936 11.968 -15.716 1.00 0.00 N ATOM 0 H LYS A 15 -6.270 8.995 -11.073 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.687 10.726 -11.336 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.201 8.059 -12.748 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.472 9.220 -13.079 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.070 10.694 -13.401 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.725 9.136 -14.125 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.759 10.716 -15.773 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.747 9.288 -15.538 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.384 10.445 -14.300 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.252 11.654 -13.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.730 12.568 -15.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.129 12.569 -15.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.226 11.398 -16.536 1.00 0.00 H new ATOM 250 N PRO A 16 -10.034 8.860 -10.148 1.00 0.00 N ATOM 251 CA PRO A 16 -10.706 7.970 -9.242 1.00 0.00 C ATOM 252 C PRO A 16 -11.180 6.749 -9.954 1.00 0.00 C ATOM 253 O PRO A 16 -11.419 6.729 -11.146 1.00 0.00 O ATOM 254 CB PRO A 16 -11.853 8.747 -8.693 1.00 0.00 C ATOM 255 CG PRO A 16 -12.106 9.822 -9.722 1.00 0.00 C ATOM 256 CD PRO A 16 -10.916 9.841 -10.705 1.00 0.00 C ATOM 0 HA PRO A 16 -10.042 7.625 -8.449 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.731 8.115 -8.554 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.613 9.177 -7.721 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.036 9.626 -10.255 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.215 10.793 -9.238 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.223 9.581 -11.718 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.448 10.824 -10.756 1.00 0.00 H new ATOM 264 N PHE A 17 -11.237 5.712 -9.221 1.00 0.00 N ATOM 265 CA PHE A 17 -11.605 4.424 -9.806 1.00 0.00 C ATOM 266 C PHE A 17 -11.781 3.412 -8.686 1.00 0.00 C ATOM 267 O PHE A 17 -11.569 3.725 -7.534 1.00 0.00 O ATOM 268 CB PHE A 17 -10.423 4.020 -10.663 1.00 0.00 C ATOM 269 CG PHE A 17 -9.185 4.023 -9.791 1.00 0.00 C ATOM 270 CD1 PHE A 17 -8.646 5.231 -9.298 1.00 0.00 C ATOM 271 CD2 PHE A 17 -8.570 2.814 -9.447 1.00 0.00 C ATOM 272 CE1 PHE A 17 -7.530 5.215 -8.502 1.00 0.00 C ATOM 273 CE2 PHE A 17 -7.454 2.809 -8.647 1.00 0.00 C ATOM 274 CZ PHE A 17 -6.926 4.010 -8.174 1.00 0.00 C ATOM 0 H PHE A 17 -11.041 5.695 -8.220 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.529 4.476 -10.382 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -10.584 3.031 -11.091 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.303 4.712 -11.496 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.115 6.171 -9.549 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.975 1.882 -9.812 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.120 6.142 -8.130 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.984 1.873 -8.384 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.044 4.002 -7.550 1.00 0.00 H new ATOM 284 N HIS A 18 -12.120 2.195 -8.998 1.00 0.00 N ATOM 285 CA HIS A 18 -12.243 1.201 -7.943 1.00 0.00 C ATOM 286 C HIS A 18 -10.825 0.790 -7.578 1.00 0.00 C ATOM 287 O HIS A 18 -10.128 0.216 -8.391 1.00 0.00 O ATOM 288 CB HIS A 18 -13.026 0.012 -8.472 1.00 0.00 C ATOM 289 CG HIS A 18 -14.475 0.307 -8.367 1.00 0.00 C ATOM 290 ND1 HIS A 18 -15.165 1.077 -9.288 1.00 0.00 N ATOM 291 CD2 HIS A 18 -15.368 -0.060 -7.434 1.00 0.00 C ATOM 292 CE1 HIS A 18 -16.443 1.141 -8.873 1.00 0.00 C ATOM 293 NE2 HIS A 18 -16.623 0.459 -7.737 1.00 0.00 N ATOM 0 H HIS A 18 -12.314 1.862 -9.942 1.00 0.00 H new ATOM 0 HA HIS A 18 -12.768 1.588 -7.070 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -12.756 -0.186 -9.509 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.781 -0.884 -7.902 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -15.144 -0.671 -6.572 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -17.225 1.676 -9.392 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -17.488 0.345 -7.209 1.00 0.00 H new ATOM 301 N PRO A 19 -10.412 1.126 -6.391 1.00 0.00 N ATOM 302 CA PRO A 19 -9.057 0.829 -5.953 1.00 0.00 C ATOM 303 C PRO A 19 -8.903 -0.683 -5.759 1.00 0.00 C ATOM 304 O PRO A 19 -7.825 -1.196 -5.535 1.00 0.00 O ATOM 305 CB PRO A 19 -8.914 1.597 -4.636 1.00 0.00 C ATOM 306 CG PRO A 19 -10.351 1.843 -4.133 1.00 0.00 C ATOM 307 CD PRO A 19 -11.245 1.795 -5.383 1.00 0.00 C ATOM 0 HA PRO A 19 -8.288 1.122 -6.668 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.339 1.023 -3.910 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.387 2.539 -4.788 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.648 1.083 -3.410 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.430 2.808 -3.632 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.165 1.242 -5.195 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.535 2.795 -5.705 1.00 0.00 H new ATOM 315 N LYS A 20 -9.996 -1.392 -5.847 1.00 0.00 N ATOM 316 CA LYS A 20 -9.975 -2.865 -5.681 1.00 0.00 C ATOM 317 C LYS A 20 -9.121 -3.509 -6.770 1.00 0.00 C ATOM 318 O LYS A 20 -8.349 -4.413 -6.518 1.00 0.00 O ATOM 319 CB LYS A 20 -11.394 -3.367 -5.818 1.00 0.00 C ATOM 320 CG LYS A 20 -11.907 -3.834 -4.466 1.00 0.00 C ATOM 321 CD LYS A 20 -12.642 -5.154 -4.660 1.00 0.00 C ATOM 322 CE LYS A 20 -13.642 -5.362 -3.521 1.00 0.00 C ATOM 323 NZ LYS A 20 -14.945 -5.826 -4.078 1.00 0.00 N ATOM 0 H LYS A 20 -10.919 -0.999 -6.031 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.557 -3.120 -4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.034 -2.575 -6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.432 -4.187 -6.535 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.078 -3.960 -3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.575 -3.088 -4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.162 -5.154 -5.618 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.929 -5.978 -4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.255 -6.096 -2.814 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.781 -4.431 -2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.624 -5.967 -3.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.315 -5.111 -4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.806 -6.724 -4.584 1.00 0.00 H new ATOM 337 N PHE A 21 -9.266 -3.055 -7.983 1.00 0.00 N ATOM 338 CA PHE A 21 -8.486 -3.633 -9.102 1.00 0.00 C ATOM 339 C PHE A 21 -7.062 -3.060 -9.128 1.00 0.00 C ATOM 340 O PHE A 21 -6.402 -3.100 -10.138 1.00 0.00 O ATOM 341 CB PHE A 21 -9.238 -3.305 -10.398 1.00 0.00 C ATOM 342 CG PHE A 21 -8.578 -2.214 -11.167 1.00 0.00 C ATOM 343 CD1 PHE A 21 -8.306 -1.001 -10.540 1.00 0.00 C ATOM 344 CD2 PHE A 21 -8.259 -2.412 -12.508 1.00 0.00 C ATOM 345 CE1 PHE A 21 -7.706 0.019 -11.258 1.00 0.00 C ATOM 346 CE2 PHE A 21 -7.661 -1.390 -13.228 1.00 0.00 C ATOM 347 CZ PHE A 21 -7.385 -0.178 -12.600 1.00 0.00 C ATOM 0 H PHE A 21 -9.899 -2.300 -8.246 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.387 -4.712 -8.984 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -9.299 -4.200 -11.018 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.261 -3.013 -10.159 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.561 -0.857 -9.501 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.476 -3.357 -12.984 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.488 0.963 -10.781 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.411 -1.532 -14.269 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.917 0.618 -13.159 1.00 0.00 H new ATOM 357 N ILE A 22 -6.575 -2.548 -8.037 1.00 0.00 N ATOM 358 CA ILE A 22 -5.203 -2.001 -8.033 1.00 0.00 C ATOM 359 C ILE A 22 -4.192 -3.145 -7.947 1.00 0.00 C ATOM 360 O ILE A 22 -4.259 -3.983 -7.070 1.00 0.00 O ATOM 361 CB ILE A 22 -5.048 -1.088 -6.831 1.00 0.00 C ATOM 362 CG1 ILE A 22 -5.279 -1.914 -5.570 1.00 0.00 C ATOM 363 CG2 ILE A 22 -6.063 0.054 -6.920 1.00 0.00 C ATOM 364 CD1 ILE A 22 -5.482 -1.000 -4.360 1.00 0.00 C ATOM 0 H ILE A 22 -7.072 -2.486 -7.148 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.023 -1.440 -8.950 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.048 -0.655 -6.805 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.153 -2.552 -5.701 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.427 -2.571 -5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.951 0.709 -6.056 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.890 0.624 -7.833 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.073 -0.357 -6.935 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.645 -1.607 -3.469 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.596 -0.380 -4.220 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.349 -0.361 -4.528 1.00 0.00 H new ATOM 376 N LYS A 23 -3.249 -3.181 -8.851 1.00 0.00 N ATOM 377 CA LYS A 23 -2.228 -4.264 -8.819 1.00 0.00 C ATOM 378 C LYS A 23 -1.190 -3.935 -7.754 1.00 0.00 C ATOM 379 O LYS A 23 -0.708 -4.805 -7.058 1.00 0.00 O ATOM 380 CB LYS A 23 -1.546 -4.375 -10.185 1.00 0.00 C ATOM 381 CG LYS A 23 -0.746 -5.676 -10.253 1.00 0.00 C ATOM 382 CD LYS A 23 0.003 -5.748 -11.585 1.00 0.00 C ATOM 383 CE LYS A 23 -0.974 -5.509 -12.737 1.00 0.00 C ATOM 384 NZ LYS A 23 -0.290 -5.786 -14.032 1.00 0.00 N ATOM 0 H LYS A 23 -3.143 -2.507 -9.609 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.709 -5.214 -8.585 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.293 -4.353 -10.979 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.887 -3.522 -10.344 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.040 -5.724 -9.424 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.414 -6.531 -10.153 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.797 -5.002 -11.608 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.478 -6.723 -11.694 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.846 -6.154 -12.629 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.334 -4.480 -12.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.912 -5.511 -14.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.593 -5.239 -14.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.073 -6.801 -14.100 1.00 0.00 H new ATOM 398 N GLU A 24 -0.844 -2.687 -7.605 1.00 0.00 N ATOM 399 CA GLU A 24 0.160 -2.335 -6.556 1.00 0.00 C ATOM 400 C GLU A 24 -0.383 -1.183 -5.709 1.00 0.00 C ATOM 401 O GLU A 24 -0.549 -0.090 -6.183 1.00 0.00 O ATOM 402 CB GLU A 24 1.477 -1.926 -7.217 1.00 0.00 C ATOM 403 CG GLU A 24 2.506 -3.042 -7.031 1.00 0.00 C ATOM 404 CD GLU A 24 2.128 -4.233 -7.910 1.00 0.00 C ATOM 405 OE1 GLU A 24 1.802 -4.012 -9.064 1.00 0.00 O ATOM 406 OE2 GLU A 24 2.170 -5.346 -7.416 1.00 0.00 O ATOM 0 H GLU A 24 -1.204 -1.905 -8.153 1.00 0.00 H new ATOM 0 HA GLU A 24 0.342 -3.199 -5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.320 -1.734 -8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.845 -0.999 -6.777 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.500 -2.682 -7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.544 -3.346 -5.985 1.00 0.00 H new ATOM 413 N LEU A 25 -0.634 -1.405 -4.449 1.00 0.00 N ATOM 414 CA LEU A 25 -1.144 -0.302 -3.594 1.00 0.00 C ATOM 415 C LEU A 25 0.051 0.298 -2.908 1.00 0.00 C ATOM 416 O LEU A 25 0.567 -0.272 -1.976 1.00 0.00 O ATOM 417 CB LEU A 25 -2.108 -0.847 -2.552 1.00 0.00 C ATOM 418 CG LEU A 25 -2.959 0.296 -2.023 1.00 0.00 C ATOM 419 CD1 LEU A 25 -2.087 1.286 -1.278 1.00 0.00 C ATOM 420 CD2 LEU A 25 -3.619 1.019 -3.174 1.00 0.00 C ATOM 0 H LEU A 25 -0.508 -2.300 -3.977 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.676 0.438 -4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.742 -1.617 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.557 -1.315 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.715 -0.115 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.703 2.102 -0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.599 0.784 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.330 1.684 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.228 1.837 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.854 1.418 -3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.252 0.324 -3.725 1.00 0.00 H new ATOM 432 N ARG A 26 0.514 1.425 -3.355 1.00 0.00 N ATOM 433 CA ARG A 26 1.691 1.995 -2.730 1.00 0.00 C ATOM 434 C ARG A 26 1.249 3.088 -1.783 1.00 0.00 C ATOM 435 O ARG A 26 0.248 3.727 -1.981 1.00 0.00 O ATOM 436 CB ARG A 26 2.636 2.479 -3.837 1.00 0.00 C ATOM 437 CG ARG A 26 3.407 3.667 -3.374 1.00 0.00 C ATOM 438 CD ARG A 26 4.340 4.150 -4.481 1.00 0.00 C ATOM 439 NE ARG A 26 5.687 3.578 -4.247 1.00 0.00 N ATOM 440 CZ ARG A 26 6.664 3.834 -5.073 1.00 0.00 C ATOM 441 NH1 ARG A 26 7.322 4.957 -4.977 1.00 0.00 N ATOM 442 NH2 ARG A 26 6.985 2.967 -5.994 1.00 0.00 N ATOM 0 H ARG A 26 0.117 1.963 -4.126 1.00 0.00 H new ATOM 0 HA ARG A 26 2.242 1.267 -2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.321 1.678 -4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.063 2.733 -4.729 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.723 4.466 -3.090 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.985 3.412 -2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.962 3.841 -5.456 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.387 5.239 -4.488 1.00 0.00 H new ATOM 0 HE ARG A 26 5.851 2.981 -3.436 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.072 5.634 -4.256 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.086 5.157 -5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.472 2.089 -6.068 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.749 3.168 -6.639 1.00 0.00 H new ATOM 456 N VAL A 27 1.955 3.270 -0.722 1.00 0.00 N ATOM 457 CA VAL A 27 1.529 4.315 0.254 1.00 0.00 C ATOM 458 C VAL A 27 2.724 5.164 0.677 1.00 0.00 C ATOM 459 O VAL A 27 3.629 4.693 1.325 1.00 0.00 O ATOM 460 CB VAL A 27 0.920 3.647 1.487 1.00 0.00 C ATOM 461 CG1 VAL A 27 0.296 4.700 2.384 1.00 0.00 C ATOM 462 CG2 VAL A 27 -0.178 2.690 1.063 1.00 0.00 C ATOM 0 H VAL A 27 2.801 2.754 -0.479 1.00 0.00 H new ATOM 0 HA VAL A 27 0.788 4.957 -0.221 1.00 0.00 H new ATOM 0 HB VAL A 27 1.708 3.112 2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.137 4.220 3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.061 5.410 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.485 5.228 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.609 2.217 1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.954 3.240 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.239 1.925 0.408 1.00 0.00 H new ATOM 472 N ILE A 28 2.728 6.425 0.350 1.00 0.00 N ATOM 473 CA ILE A 28 3.855 7.271 0.777 1.00 0.00 C ATOM 474 C ILE A 28 3.675 7.589 2.254 1.00 0.00 C ATOM 475 O ILE A 28 3.165 8.628 2.615 1.00 0.00 O ATOM 476 CB ILE A 28 3.891 8.551 -0.050 1.00 0.00 C ATOM 477 CG1 ILE A 28 2.489 8.967 -0.447 1.00 0.00 C ATOM 478 CG2 ILE A 28 4.692 8.286 -1.313 1.00 0.00 C ATOM 479 CD1 ILE A 28 2.470 10.458 -0.790 1.00 0.00 C ATOM 0 H ILE A 28 2.002 6.896 -0.190 1.00 0.00 H new ATOM 0 HA ILE A 28 4.800 6.750 0.625 1.00 0.00 H new ATOM 0 HB ILE A 28 4.344 9.346 0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.155 8.383 -1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.794 8.763 0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.728 9.192 -1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.706 7.988 -1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.218 7.488 -1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.460 10.753 -1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.785 11.035 0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.151 10.649 -1.619 1.00 0.00 H new ATOM 491 N GLU A 29 4.062 6.682 3.114 1.00 0.00 N ATOM 492 CA GLU A 29 3.884 6.926 4.573 1.00 0.00 C ATOM 493 C GLU A 29 5.220 7.301 5.224 1.00 0.00 C ATOM 494 O GLU A 29 5.667 6.649 6.147 1.00 0.00 O ATOM 495 CB GLU A 29 3.340 5.657 5.232 1.00 0.00 C ATOM 496 CG GLU A 29 2.911 5.968 6.667 1.00 0.00 C ATOM 497 CD GLU A 29 2.666 4.660 7.422 1.00 0.00 C ATOM 498 OE1 GLU A 29 2.467 3.650 6.767 1.00 0.00 O ATOM 499 OE2 GLU A 29 2.682 4.690 8.641 1.00 0.00 O ATOM 0 H GLU A 29 4.491 5.789 2.869 1.00 0.00 H new ATOM 0 HA GLU A 29 3.184 7.750 4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.493 5.274 4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.103 4.878 5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.682 6.551 7.170 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.005 6.573 6.664 1.00 0.00 H new ATOM 506 N SER A 30 5.862 8.346 4.768 1.00 0.00 N ATOM 507 CA SER A 30 7.159 8.737 5.391 1.00 0.00 C ATOM 508 C SER A 30 6.877 9.507 6.683 1.00 0.00 C ATOM 509 O SER A 30 5.743 9.634 7.101 1.00 0.00 O ATOM 510 CB SER A 30 7.945 9.626 4.427 1.00 0.00 C ATOM 511 OG SER A 30 9.263 9.812 4.927 1.00 0.00 O ATOM 0 H SER A 30 5.548 8.939 4.000 1.00 0.00 H new ATOM 0 HA SER A 30 7.745 7.845 5.612 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.980 9.168 3.439 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.447 10.589 4.315 1.00 0.00 H new ATOM 0 HG SER A 30 9.330 10.692 5.353 1.00 0.00 H new ATOM 517 N GLY A 31 7.891 10.029 7.317 1.00 0.00 N ATOM 518 CA GLY A 31 7.661 10.797 8.574 1.00 0.00 C ATOM 519 C GLY A 31 6.763 11.999 8.265 1.00 0.00 C ATOM 520 O GLY A 31 5.927 11.934 7.390 1.00 0.00 O ATOM 0 H GLY A 31 8.865 9.958 7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.193 10.160 9.324 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.611 11.133 8.989 1.00 0.00 H new ATOM 524 N PRO A 32 6.935 13.054 9.009 1.00 0.00 N ATOM 525 CA PRO A 32 6.188 14.251 8.840 1.00 0.00 C ATOM 526 C PRO A 32 7.003 15.318 8.107 1.00 0.00 C ATOM 527 O PRO A 32 7.972 15.841 8.620 1.00 0.00 O ATOM 528 CB PRO A 32 5.939 14.709 10.270 1.00 0.00 C ATOM 529 CG PRO A 32 7.097 14.080 11.086 1.00 0.00 C ATOM 530 CD PRO A 32 7.805 13.103 10.125 1.00 0.00 C ATOM 0 HA PRO A 32 5.283 14.093 8.254 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.945 15.796 10.345 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.968 14.370 10.632 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.786 14.846 11.442 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.718 13.558 11.965 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.796 13.461 9.847 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.936 12.119 10.576 1.00 0.00 H new ATOM 538 N HIS A 33 6.619 15.631 6.919 1.00 0.00 N ATOM 539 CA HIS A 33 7.371 16.664 6.129 1.00 0.00 C ATOM 540 C HIS A 33 6.499 17.169 4.978 1.00 0.00 C ATOM 541 O HIS A 33 5.799 18.154 5.098 1.00 0.00 O ATOM 542 CB HIS A 33 8.650 16.036 5.559 1.00 0.00 C ATOM 543 CG HIS A 33 8.546 14.554 5.720 1.00 0.00 C ATOM 544 ND1 HIS A 33 7.426 13.872 5.298 1.00 0.00 N ATOM 545 CD2 HIS A 33 9.337 13.632 6.349 1.00 0.00 C ATOM 546 CE1 HIS A 33 7.559 12.603 5.683 1.00 0.00 C ATOM 547 NE2 HIS A 33 8.712 12.392 6.321 1.00 0.00 N ATOM 0 H HIS A 33 5.814 15.224 6.443 1.00 0.00 H new ATOM 0 HA HIS A 33 7.629 17.499 6.780 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.768 16.298 4.508 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.527 16.416 6.082 1.00 0.00 H new ATOM 0 HD1 HIS A 33 6.638 14.267 4.784 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.298 13.837 6.798 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.821 11.836 5.500 1.00 0.00 H new ATOM 555 N CYS A 34 6.542 16.496 3.862 1.00 0.00 N ATOM 556 CA CYS A 34 5.722 16.927 2.694 1.00 0.00 C ATOM 557 C CYS A 34 5.971 15.981 1.513 1.00 0.00 C ATOM 558 O CYS A 34 5.118 15.792 0.669 1.00 0.00 O ATOM 559 CB CYS A 34 6.114 18.352 2.297 1.00 0.00 C ATOM 560 SG CYS A 34 4.978 18.957 1.025 1.00 0.00 S ATOM 0 H CYS A 34 7.111 15.664 3.708 1.00 0.00 H new ATOM 0 HA CYS A 34 4.666 16.900 2.962 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.082 19.006 3.169 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.138 18.368 1.923 1.00 0.00 H new ATOM 565 N ALA A 35 7.131 15.383 1.448 1.00 0.00 N ATOM 566 CA ALA A 35 7.434 14.451 0.328 1.00 0.00 C ATOM 567 C ALA A 35 6.425 13.308 0.310 1.00 0.00 C ATOM 568 O ALA A 35 5.441 13.337 -0.401 1.00 0.00 O ATOM 569 CB ALA A 35 8.838 13.878 0.517 1.00 0.00 C ATOM 0 H ALA A 35 7.883 15.502 2.126 1.00 0.00 H new ATOM 0 HA ALA A 35 7.376 14.995 -0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.065 13.194 -0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.565 14.690 0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.887 13.340 1.464 1.00 0.00 H new ATOM 575 N ASN A 36 6.680 12.297 1.080 1.00 0.00 N ATOM 576 CA ASN A 36 5.776 11.132 1.123 1.00 0.00 C ATOM 577 C ASN A 36 5.031 11.090 2.447 1.00 0.00 C ATOM 578 O ASN A 36 5.614 11.171 3.510 1.00 0.00 O ATOM 579 CB ASN A 36 6.614 9.892 1.021 1.00 0.00 C ATOM 580 CG ASN A 36 7.569 10.005 -0.136 1.00 0.00 C ATOM 581 OD1 ASN A 36 7.342 10.741 -1.075 1.00 0.00 O ATOM 582 ND2 ASN A 36 8.640 9.296 -0.101 1.00 0.00 N ATOM 0 H ASN A 36 7.493 12.230 1.692 1.00 0.00 H new ATOM 0 HA ASN A 36 5.057 11.200 0.306 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.169 9.742 1.947 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.973 9.021 0.889 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.311 9.348 -0.867 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.819 8.682 0.693 1.00 0.00 H new ATOM 589 N THR A 37 3.748 10.962 2.389 1.00 0.00 N ATOM 590 CA THR A 37 2.961 10.928 3.647 1.00 0.00 C ATOM 591 C THR A 37 1.488 10.623 3.356 1.00 0.00 C ATOM 592 O THR A 37 0.637 10.729 4.217 1.00 0.00 O ATOM 593 CB THR A 37 3.074 12.304 4.251 1.00 0.00 C ATOM 594 OG1 THR A 37 2.494 12.313 5.549 1.00 0.00 O ATOM 595 CG2 THR A 37 2.345 13.285 3.332 1.00 0.00 C ATOM 0 H THR A 37 3.205 10.879 1.529 1.00 0.00 H new ATOM 0 HA THR A 37 3.335 10.153 4.316 1.00 0.00 H new ATOM 0 HB THR A 37 4.120 12.593 4.348 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.669 11.783 5.543 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.412 14.291 3.747 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.805 13.269 2.344 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.297 12.996 3.249 1.00 0.00 H new ATOM 603 N GLU A 38 1.182 10.269 2.147 1.00 0.00 N ATOM 604 CA GLU A 38 -0.247 9.983 1.788 1.00 0.00 C ATOM 605 C GLU A 38 -0.407 8.559 1.234 1.00 0.00 C ATOM 606 O GLU A 38 0.443 7.704 1.411 1.00 0.00 O ATOM 607 CB GLU A 38 -0.717 10.989 0.735 1.00 0.00 C ATOM 608 CG GLU A 38 -1.836 11.853 1.319 1.00 0.00 C ATOM 609 CD GLU A 38 -1.227 13.042 2.063 1.00 0.00 C ATOM 610 OE1 GLU A 38 -0.441 13.754 1.460 1.00 0.00 O ATOM 611 OE2 GLU A 38 -1.556 13.220 3.224 1.00 0.00 O ATOM 0 H GLU A 38 1.851 10.162 1.385 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.851 10.071 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.116 11.618 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.073 10.464 -0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.491 12.206 0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.450 11.261 1.998 1.00 0.00 H new ATOM 618 N ILE A 39 -1.505 8.295 0.561 1.00 0.00 N ATOM 619 CA ILE A 39 -1.727 6.933 0.001 1.00 0.00 C ATOM 620 C ILE A 39 -1.245 6.898 -1.447 1.00 0.00 C ATOM 621 O ILE A 39 -0.983 7.921 -2.043 1.00 0.00 O ATOM 622 CB ILE A 39 -3.220 6.595 0.045 1.00 0.00 C ATOM 623 CG1 ILE A 39 -3.802 7.017 1.395 1.00 0.00 C ATOM 624 CG2 ILE A 39 -3.406 5.088 -0.142 1.00 0.00 C ATOM 625 CD1 ILE A 39 -5.318 6.811 1.385 1.00 0.00 C ATOM 0 H ILE A 39 -2.251 8.966 0.379 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.173 6.204 0.592 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.736 7.128 -0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.350 6.432 2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.568 8.063 1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.468 4.846 -0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.993 4.787 -1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.889 4.556 0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.732 7.112 2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.762 7.415 0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.541 5.759 1.207 1.00 0.00 H new ATOM 637 N ILE A 40 -1.132 5.729 -2.016 1.00 0.00 N ATOM 638 CA ILE A 40 -0.665 5.625 -3.429 1.00 0.00 C ATOM 639 C ILE A 40 -1.114 4.269 -4.016 1.00 0.00 C ATOM 640 O ILE A 40 -1.625 3.420 -3.316 1.00 0.00 O ATOM 641 CB ILE A 40 0.854 5.792 -3.458 1.00 0.00 C ATOM 642 CG1 ILE A 40 1.186 7.265 -3.221 1.00 0.00 C ATOM 643 CG2 ILE A 40 1.411 5.347 -4.806 1.00 0.00 C ATOM 644 CD1 ILE A 40 2.639 7.547 -3.612 1.00 0.00 C ATOM 0 H ILE A 40 -1.343 4.840 -1.563 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.103 6.410 -4.045 1.00 0.00 H new ATOM 0 HB ILE A 40 1.305 5.176 -2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.515 7.895 -3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.028 7.517 -2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.494 5.472 -4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.166 4.298 -4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.972 5.953 -5.599 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.865 8.599 -3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.305 6.929 -3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.784 7.313 -4.667 1.00 0.00 H new ATOM 656 N VAL A 41 -0.973 4.066 -5.293 1.00 0.00 N ATOM 657 CA VAL A 41 -1.462 2.809 -5.897 1.00 0.00 C ATOM 658 C VAL A 41 -0.897 2.603 -7.295 1.00 0.00 C ATOM 659 O VAL A 41 -0.224 3.445 -7.879 1.00 0.00 O ATOM 660 CB VAL A 41 -2.985 2.870 -5.985 1.00 0.00 C ATOM 661 CG1 VAL A 41 -3.394 3.644 -7.222 1.00 0.00 C ATOM 662 CG2 VAL A 41 -3.571 1.461 -6.057 1.00 0.00 C ATOM 0 H VAL A 41 -0.538 4.721 -5.943 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.137 1.977 -5.272 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.365 3.369 -5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.482 3.686 -7.282 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.994 4.657 -7.166 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.001 3.147 -8.109 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.658 1.522 -6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.185 0.951 -6.940 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.289 0.904 -5.164 1.00 0.00 H new ATOM 672 N LYS A 42 -1.244 1.489 -7.831 1.00 0.00 N ATOM 673 CA LYS A 42 -0.832 1.111 -9.193 1.00 0.00 C ATOM 674 C LYS A 42 -2.025 0.438 -9.842 1.00 0.00 C ATOM 675 O LYS A 42 -2.028 -0.760 -10.081 1.00 0.00 O ATOM 676 CB LYS A 42 0.343 0.137 -9.136 1.00 0.00 C ATOM 677 CG LYS A 42 1.286 0.401 -10.311 1.00 0.00 C ATOM 678 CD LYS A 42 2.209 -0.803 -10.508 1.00 0.00 C ATOM 679 CE LYS A 42 3.326 -0.766 -9.463 1.00 0.00 C ATOM 680 NZ LYS A 42 4.642 -0.632 -10.148 1.00 0.00 N ATOM 0 H LYS A 42 -1.822 0.792 -7.362 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.516 1.987 -9.760 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.879 0.252 -8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.021 -0.890 -9.172 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.710 0.583 -11.219 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.876 1.298 -10.122 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.641 -1.729 -10.416 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.635 -0.788 -11.511 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.172 0.070 -8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.307 -1.676 -8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.402 -0.607 -9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.787 -1.443 -10.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.657 0.248 -10.702 1.00 0.00 H new ATOM 694 N LEU A 43 -3.044 1.220 -10.086 1.00 0.00 N ATOM 695 CA LEU A 43 -4.302 0.701 -10.718 1.00 0.00 C ATOM 696 C LEU A 43 -3.926 -0.387 -11.723 1.00 0.00 C ATOM 697 O LEU A 43 -3.207 -0.110 -12.663 1.00 0.00 O ATOM 698 CB LEU A 43 -5.023 1.822 -11.471 1.00 0.00 C ATOM 699 CG LEU A 43 -5.217 3.075 -10.607 1.00 0.00 C ATOM 700 CD1 LEU A 43 -4.032 4.002 -10.636 1.00 0.00 C ATOM 701 CD2 LEU A 43 -6.315 3.872 -11.207 1.00 0.00 C ATOM 0 H LEU A 43 -3.061 2.217 -9.871 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.957 0.310 -9.940 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.452 2.083 -12.362 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.995 1.463 -11.809 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.396 2.728 -9.589 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.232 4.868 -10.005 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.151 3.478 -10.264 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.853 4.332 -11.659 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.478 4.772 -10.614 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.047 4.152 -12.226 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.229 3.278 -11.223 1.00 0.00 H new ATOM 713 N SER A 44 -4.455 -1.590 -11.537 1.00 0.00 N ATOM 714 CA SER A 44 -4.177 -2.770 -12.447 1.00 0.00 C ATOM 715 C SER A 44 -3.279 -2.401 -13.640 1.00 0.00 C ATOM 716 O SER A 44 -2.212 -1.845 -13.477 1.00 0.00 O ATOM 717 CB SER A 44 -5.488 -3.382 -12.942 1.00 0.00 C ATOM 718 OG SER A 44 -5.242 -4.706 -13.398 1.00 0.00 O ATOM 0 H SER A 44 -5.088 -1.807 -10.767 1.00 0.00 H new ATOM 0 HA SER A 44 -3.634 -3.505 -11.853 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.225 -3.392 -12.139 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.904 -2.778 -13.748 1.00 0.00 H new ATOM 0 HG SER A 44 -6.080 -5.104 -13.715 1.00 0.00 H new ATOM 724 N ASP A 45 -3.664 -2.750 -14.834 1.00 0.00 N ATOM 725 CA ASP A 45 -2.803 -2.433 -15.999 1.00 0.00 C ATOM 726 C ASP A 45 -3.375 -1.212 -16.701 1.00 0.00 C ATOM 727 O ASP A 45 -3.460 -1.161 -17.912 1.00 0.00 O ATOM 728 CB ASP A 45 -2.784 -3.608 -16.952 1.00 0.00 C ATOM 729 CG ASP A 45 -1.352 -4.125 -17.097 1.00 0.00 C ATOM 730 OD1 ASP A 45 -0.450 -3.305 -17.156 1.00 0.00 O ATOM 731 OD2 ASP A 45 -1.181 -5.332 -17.146 1.00 0.00 O ATOM 0 H ASP A 45 -4.533 -3.238 -15.051 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.784 -2.231 -15.669 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.432 -4.402 -16.581 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.173 -3.307 -17.925 1.00 0.00 H new ATOM 736 N GLY A 46 -3.797 -0.235 -15.948 1.00 0.00 N ATOM 737 CA GLY A 46 -4.394 0.963 -16.583 1.00 0.00 C ATOM 738 C GLY A 46 -3.913 2.253 -15.914 1.00 0.00 C ATOM 739 O GLY A 46 -3.515 3.180 -16.591 1.00 0.00 O ATOM 0 H GLY A 46 -3.753 -0.217 -14.929 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.134 0.982 -17.641 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.481 0.904 -16.523 1.00 0.00 H new ATOM 743 N ARG A 47 -3.984 2.371 -14.608 1.00 0.00 N ATOM 744 CA ARG A 47 -3.582 3.630 -13.989 1.00 0.00 C ATOM 745 C ARG A 47 -2.572 3.363 -12.865 1.00 0.00 C ATOM 746 O ARG A 47 -2.643 2.375 -12.164 1.00 0.00 O ATOM 747 CB ARG A 47 -4.857 4.257 -13.548 1.00 0.00 C ATOM 748 CG ARG A 47 -5.745 4.495 -14.769 1.00 0.00 C ATOM 749 CD ARG A 47 -7.197 4.687 -14.325 1.00 0.00 C ATOM 750 NE ARG A 47 -8.011 3.520 -14.768 1.00 0.00 N ATOM 751 CZ ARG A 47 -9.055 3.706 -15.529 1.00 0.00 C ATOM 752 NH1 ARG A 47 -10.041 4.452 -15.113 1.00 0.00 N ATOM 753 NH2 ARG A 47 -9.111 3.148 -16.708 1.00 0.00 N ATOM 0 H ARG A 47 -4.303 1.645 -13.967 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.057 4.311 -14.659 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.366 3.611 -12.833 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.656 5.200 -13.039 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.402 5.375 -15.313 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.673 3.649 -15.453 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.247 4.788 -13.241 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.600 5.607 -14.749 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.753 2.577 -14.477 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.996 4.890 -14.193 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.857 4.597 -15.708 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.339 2.567 -17.034 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.927 3.293 -17.303 1.00 0.00 H new ATOM 767 N GLU A 48 -1.581 4.195 -12.715 1.00 0.00 N ATOM 768 CA GLU A 48 -0.567 3.931 -11.663 1.00 0.00 C ATOM 769 C GLU A 48 0.078 5.242 -11.211 1.00 0.00 C ATOM 770 O GLU A 48 0.846 5.847 -11.932 1.00 0.00 O ATOM 771 CB GLU A 48 0.518 3.024 -12.236 1.00 0.00 C ATOM 772 CG GLU A 48 -0.075 2.134 -13.328 1.00 0.00 C ATOM 773 CD GLU A 48 0.984 1.144 -13.816 1.00 0.00 C ATOM 774 OE1 GLU A 48 1.738 1.504 -14.705 1.00 0.00 O ATOM 775 OE2 GLU A 48 1.024 0.043 -13.292 1.00 0.00 O ATOM 0 H GLU A 48 -1.431 5.038 -13.270 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.053 3.455 -10.811 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.329 3.626 -12.645 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.946 2.408 -11.445 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.940 1.595 -12.942 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.426 2.746 -14.159 1.00 0.00 H new ATOM 782 N LEU A 49 -0.238 5.697 -10.033 1.00 0.00 N ATOM 783 CA LEU A 49 0.349 6.983 -9.558 1.00 0.00 C ATOM 784 C LEU A 49 0.165 7.081 -8.047 1.00 0.00 C ATOM 785 O LEU A 49 0.124 6.079 -7.368 1.00 0.00 O ATOM 786 CB LEU A 49 -0.357 8.155 -10.249 1.00 0.00 C ATOM 787 CG LEU A 49 0.687 9.096 -10.850 1.00 0.00 C ATOM 788 CD1 LEU A 49 0.611 9.036 -12.377 1.00 0.00 C ATOM 789 CD2 LEU A 49 0.410 10.527 -10.383 1.00 0.00 C ATOM 0 H LEU A 49 -0.874 5.239 -9.380 1.00 0.00 H new ATOM 0 HA LEU A 49 1.411 7.019 -9.799 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.021 7.784 -11.030 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.978 8.693 -9.533 1.00 0.00 H new ATOM 0 HG LEU A 49 1.681 8.791 -10.524 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.356 9.707 -12.805 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.806 8.017 -12.711 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.383 9.341 -12.704 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.154 11.200 -10.811 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.585 10.830 -10.710 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.463 10.572 -9.295 1.00 0.00 H new ATOM 801 N CYS A 50 0.039 8.266 -7.510 1.00 0.00 N ATOM 802 CA CYS A 50 -0.149 8.390 -6.037 1.00 0.00 C ATOM 803 C CYS A 50 -1.605 8.078 -5.659 1.00 0.00 C ATOM 804 O CYS A 50 -2.346 7.502 -6.429 1.00 0.00 O ATOM 805 CB CYS A 50 0.219 9.805 -5.582 1.00 0.00 C ATOM 806 SG CYS A 50 -0.771 11.019 -6.488 1.00 0.00 S ATOM 0 H CYS A 50 0.058 9.147 -8.024 1.00 0.00 H new ATOM 0 HA CYS A 50 0.503 7.674 -5.537 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.046 9.909 -4.511 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.280 9.987 -5.753 1.00 0.00 H new ATOM 811 N LEU A 51 -2.014 8.428 -4.466 1.00 0.00 N ATOM 812 CA LEU A 51 -3.415 8.127 -4.039 1.00 0.00 C ATOM 813 C LEU A 51 -3.795 8.982 -2.819 1.00 0.00 C ATOM 814 O LEU A 51 -3.196 8.884 -1.755 1.00 0.00 O ATOM 815 CB LEU A 51 -3.523 6.646 -3.664 1.00 0.00 C ATOM 816 CG LEU A 51 -4.979 6.194 -3.791 1.00 0.00 C ATOM 817 CD1 LEU A 51 -5.372 6.146 -5.268 1.00 0.00 C ATOM 818 CD2 LEU A 51 -5.133 4.801 -3.176 1.00 0.00 C ATOM 0 H LEU A 51 -1.441 8.907 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.092 8.356 -4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.887 6.047 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.170 6.491 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.626 6.898 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.409 5.824 -5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.260 7.138 -5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.727 5.442 -5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.170 4.476 -3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.486 4.098 -3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.853 4.835 -2.123 1.00 0.00 H new ATOM 830 N ASP A 52 -4.792 9.812 -2.965 1.00 0.00 N ATOM 831 CA ASP A 52 -5.235 10.669 -1.831 1.00 0.00 C ATOM 832 C ASP A 52 -6.670 11.146 -2.088 1.00 0.00 C ATOM 833 O ASP A 52 -6.926 12.333 -2.125 1.00 0.00 O ATOM 834 CB ASP A 52 -4.311 11.883 -1.716 1.00 0.00 C ATOM 835 CG ASP A 52 -4.626 12.642 -0.426 1.00 0.00 C ATOM 836 OD1 ASP A 52 -4.689 12.004 0.612 1.00 0.00 O ATOM 837 OD2 ASP A 52 -4.800 13.847 -0.498 1.00 0.00 O ATOM 0 H ASP A 52 -5.322 9.933 -3.828 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.198 10.095 -0.905 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.269 11.562 -1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.444 12.537 -2.577 1.00 0.00 H new ATOM 910 N VAL A 58 -4.723 7.633 5.785 1.00 0.00 N ATOM 911 CA VAL A 58 -3.309 7.599 5.728 1.00 0.00 C ATOM 912 C VAL A 58 -2.768 8.770 6.537 1.00 0.00 C ATOM 913 O VAL A 58 -1.687 8.727 7.098 1.00 0.00 O ATOM 914 CB VAL A 58 -2.979 7.646 4.259 1.00 0.00 C ATOM 915 CG1 VAL A 58 -2.593 9.048 3.854 1.00 0.00 C ATOM 916 CG2 VAL A 58 -1.851 6.674 3.950 1.00 0.00 C ATOM 0 HA VAL A 58 -2.851 6.711 6.163 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.861 7.353 3.689 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.357 9.067 2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.423 9.726 4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.720 9.364 4.425 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.618 6.714 2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.967 6.948 4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.159 5.663 4.217 1.00 0.00 H new ATOM 926 N LYS A 59 -3.550 9.808 6.623 1.00 0.00 N ATOM 927 CA LYS A 59 -3.132 10.980 7.413 1.00 0.00 C ATOM 928 C LYS A 59 -3.215 10.607 8.886 1.00 0.00 C ATOM 929 O LYS A 59 -2.541 11.170 9.725 1.00 0.00 O ATOM 930 CB LYS A 59 -4.060 12.161 7.117 1.00 0.00 C ATOM 931 CG LYS A 59 -3.479 13.437 7.723 1.00 0.00 C ATOM 932 CD LYS A 59 -3.964 14.645 6.923 1.00 0.00 C ATOM 933 CE LYS A 59 -2.778 15.271 6.197 1.00 0.00 C ATOM 934 NZ LYS A 59 -3.238 16.451 5.411 1.00 0.00 N ATOM 0 H LYS A 59 -4.463 9.888 6.176 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.113 11.270 7.156 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.180 12.280 6.040 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.051 11.970 7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.785 13.530 8.765 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.390 13.394 7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.726 14.340 6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.426 15.375 7.587 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.018 15.575 6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.316 14.538 5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.428 16.876 4.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.949 16.149 4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.659 17.153 6.053 1.00 0.00 H new ATOM 1270 N CYS B 7 5.954 -18.066 -5.966 1.00 0.00 N ATOM 1271 CA CYS B 7 5.894 -16.933 -6.933 1.00 0.00 C ATOM 1272 C CYS B 7 6.836 -15.818 -6.478 1.00 0.00 C ATOM 1273 O CYS B 7 7.999 -15.792 -6.830 1.00 0.00 O ATOM 1274 CB CYS B 7 4.463 -16.396 -7.001 1.00 0.00 C ATOM 1275 SG CYS B 7 3.632 -17.082 -8.455 1.00 0.00 S ATOM 0 HA CYS B 7 6.199 -17.283 -7.919 1.00 0.00 H new ATOM 0 HB2 CYS B 7 3.918 -16.666 -6.096 1.00 0.00 H new ATOM 0 HB3 CYS B 7 4.473 -15.307 -7.054 1.00 0.00 H new ATOM 1280 N GLN B 8 6.345 -14.894 -5.698 1.00 0.00 N ATOM 1281 CA GLN B 8 7.213 -13.781 -5.224 1.00 0.00 C ATOM 1282 C GLN B 8 7.733 -14.095 -3.820 1.00 0.00 C ATOM 1283 O GLN B 8 8.870 -14.485 -3.642 1.00 0.00 O ATOM 1284 CB GLN B 8 6.413 -12.488 -5.194 1.00 0.00 C ATOM 1285 CG GLN B 8 7.048 -11.467 -6.140 1.00 0.00 C ATOM 1286 CD GLN B 8 6.229 -11.368 -7.415 1.00 0.00 C ATOM 1287 OE1 GLN B 8 5.192 -11.988 -7.543 1.00 0.00 O ATOM 1288 NE2 GLN B 8 6.659 -10.604 -8.373 1.00 0.00 N ATOM 0 H GLN B 8 5.380 -14.862 -5.369 1.00 0.00 H new ATOM 0 HA GLN B 8 8.058 -13.668 -5.904 1.00 0.00 H new ATOM 0 HB2 GLN B 8 5.382 -12.680 -5.490 1.00 0.00 H new ATOM 0 HB3 GLN B 8 6.385 -12.090 -4.180 1.00 0.00 H new ATOM 0 HG2 GLN B 8 7.102 -10.492 -5.655 1.00 0.00 H new ATOM 0 HG3 GLN B 8 8.070 -11.763 -6.376 1.00 0.00 H new ATOM 0 HE21 GLN B 8 7.530 -10.086 -8.260 1.00 0.00 H new ATOM 0 HE22 GLN B 8 6.125 -10.522 -9.238 1.00 0.00 H new ATOM 1297 N CYS B 9 6.911 -13.927 -2.820 1.00 0.00 N ATOM 1298 CA CYS B 9 7.362 -14.217 -1.429 1.00 0.00 C ATOM 1299 C CYS B 9 6.146 -14.526 -0.550 1.00 0.00 C ATOM 1300 O CYS B 9 5.017 -14.284 -0.928 1.00 0.00 O ATOM 1301 CB CYS B 9 8.104 -12.996 -0.868 1.00 0.00 C ATOM 1302 SG CYS B 9 6.917 -11.678 -0.492 1.00 0.00 S ATOM 0 H CYS B 9 5.948 -13.602 -2.906 1.00 0.00 H new ATOM 0 HA CYS B 9 8.031 -15.077 -1.436 1.00 0.00 H new ATOM 0 HB2 CYS B 9 8.651 -13.273 0.033 1.00 0.00 H new ATOM 0 HB3 CYS B 9 8.839 -12.641 -1.591 1.00 0.00 H new ATOM 1307 N ILE B 10 6.368 -15.049 0.625 1.00 0.00 N ATOM 1308 CA ILE B 10 5.226 -15.360 1.530 1.00 0.00 C ATOM 1309 C ILE B 10 5.411 -14.612 2.852 1.00 0.00 C ATOM 1310 O ILE B 10 4.536 -14.589 3.694 1.00 0.00 O ATOM 1311 CB ILE B 10 5.166 -16.863 1.804 1.00 0.00 C ATOM 1312 CG1 ILE B 10 5.451 -17.644 0.516 1.00 0.00 C ATOM 1313 CG2 ILE B 10 3.769 -17.219 2.309 1.00 0.00 C ATOM 1314 CD1 ILE B 10 6.420 -18.789 0.819 1.00 0.00 C ATOM 0 H ILE B 10 7.291 -15.274 0.997 1.00 0.00 H new ATOM 0 HA ILE B 10 4.297 -15.047 1.053 1.00 0.00 H new ATOM 0 HB ILE B 10 5.915 -17.124 2.552 1.00 0.00 H new ATOM 0 HG12 ILE B 10 4.522 -18.039 0.104 1.00 0.00 H new ATOM 0 HG13 ILE B 10 5.878 -16.982 -0.237 1.00 0.00 H new ATOM 0 HG21 ILE B 10 3.716 -18.289 2.507 1.00 0.00 H new ATOM 0 HG22 ILE B 10 3.563 -16.669 3.227 1.00 0.00 H new ATOM 0 HG23 ILE B 10 3.030 -16.953 1.553 1.00 0.00 H new ATOM 0 HD11 ILE B 10 6.623 -19.345 -0.096 1.00 0.00 H new ATOM 0 HD12 ILE B 10 7.352 -18.383 1.212 1.00 0.00 H new ATOM 0 HD13 ILE B 10 5.976 -19.456 1.558 1.00 0.00 H new ATOM 1326 N LYS B 11 6.551 -14.008 3.041 1.00 0.00 N ATOM 1327 CA LYS B 11 6.814 -13.270 4.298 1.00 0.00 C ATOM 1328 C LYS B 11 6.922 -11.770 4.002 1.00 0.00 C ATOM 1329 O LYS B 11 6.563 -11.309 2.937 1.00 0.00 O ATOM 1330 CB LYS B 11 8.132 -13.765 4.897 1.00 0.00 C ATOM 1331 CG LYS B 11 9.025 -14.365 3.809 1.00 0.00 C ATOM 1332 CD LYS B 11 10.436 -14.548 4.363 1.00 0.00 C ATOM 1333 CE LYS B 11 10.457 -15.736 5.326 1.00 0.00 C ATOM 1334 NZ LYS B 11 11.853 -16.242 5.461 1.00 0.00 N ATOM 0 H LYS B 11 7.317 -13.997 2.368 1.00 0.00 H new ATOM 0 HA LYS B 11 5.998 -13.440 5.001 1.00 0.00 H new ATOM 0 HB2 LYS B 11 8.649 -12.939 5.385 1.00 0.00 H new ATOM 0 HB3 LYS B 11 7.931 -14.513 5.664 1.00 0.00 H new ATOM 0 HG2 LYS B 11 8.623 -15.323 3.480 1.00 0.00 H new ATOM 0 HG3 LYS B 11 9.046 -13.711 2.937 1.00 0.00 H new ATOM 0 HD2 LYS B 11 11.139 -14.715 3.547 1.00 0.00 H new ATOM 0 HD3 LYS B 11 10.756 -13.643 4.879 1.00 0.00 H new ATOM 0 HE2 LYS B 11 10.072 -15.435 6.300 1.00 0.00 H new ATOM 0 HE3 LYS B 11 9.806 -16.528 4.957 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 11.868 -17.050 6.116 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 12.204 -16.545 4.530 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 12.462 -15.485 5.832 1.00 0.00 H new ATOM 1348 N THR B 12 7.424 -11.009 4.937 1.00 0.00 N ATOM 1349 CA THR B 12 7.571 -9.542 4.719 1.00 0.00 C ATOM 1350 C THR B 12 8.489 -9.271 3.554 1.00 0.00 C ATOM 1351 O THR B 12 8.915 -10.158 2.842 1.00 0.00 O ATOM 1352 CB THR B 12 8.147 -8.889 5.967 1.00 0.00 C ATOM 1353 OG1 THR B 12 9.524 -9.218 6.079 1.00 0.00 O ATOM 1354 CG2 THR B 12 7.395 -9.385 7.202 1.00 0.00 C ATOM 0 H THR B 12 7.740 -11.343 5.847 1.00 0.00 H new ATOM 0 HA THR B 12 6.587 -9.126 4.504 1.00 0.00 H new ATOM 0 HB THR B 12 8.038 -7.807 5.894 1.00 0.00 H new ATOM 0 HG1 THR B 12 10.061 -8.400 6.027 1.00 0.00 H new ATOM 0 HG21 THR B 12 7.810 -8.915 8.094 1.00 0.00 H new ATOM 0 HG22 THR B 12 6.340 -9.127 7.114 1.00 0.00 H new ATOM 0 HG23 THR B 12 7.498 -10.467 7.281 1.00 0.00 H new ATOM 1362 N TYR B 13 8.809 -8.034 3.381 1.00 0.00 N ATOM 1363 CA TYR B 13 9.719 -7.638 2.298 1.00 0.00 C ATOM 1364 C TYR B 13 10.903 -8.599 2.297 1.00 0.00 C ATOM 1365 O TYR B 13 11.409 -9.004 1.270 1.00 0.00 O ATOM 1366 CB TYR B 13 10.144 -6.206 2.582 1.00 0.00 C ATOM 1367 CG TYR B 13 11.217 -6.201 3.627 1.00 0.00 C ATOM 1368 CD1 TYR B 13 12.536 -6.298 3.224 1.00 0.00 C ATOM 1369 CD2 TYR B 13 10.902 -6.070 4.983 1.00 0.00 C ATOM 1370 CE1 TYR B 13 13.560 -6.257 4.152 1.00 0.00 C ATOM 1371 CE2 TYR B 13 11.929 -6.037 5.926 1.00 0.00 C ATOM 1372 CZ TYR B 13 13.267 -6.124 5.507 1.00 0.00 C ATOM 1373 OH TYR B 13 14.294 -6.071 6.422 1.00 0.00 O ATOM 0 H TYR B 13 8.470 -7.265 3.958 1.00 0.00 H new ATOM 0 HA TYR B 13 9.254 -7.683 1.313 1.00 0.00 H new ATOM 0 HB2 TYR B 13 10.509 -5.736 1.669 1.00 0.00 H new ATOM 0 HB3 TYR B 13 9.288 -5.622 2.921 1.00 0.00 H new ATOM 0 HD1 TYR B 13 12.768 -6.407 2.175 1.00 0.00 H new ATOM 0 HD2 TYR B 13 9.872 -5.995 5.298 1.00 0.00 H new ATOM 0 HE1 TYR B 13 14.587 -6.328 3.826 1.00 0.00 H new ATOM 0 HE2 TYR B 13 11.696 -5.945 6.977 1.00 0.00 H new ATOM 0 HH TYR B 13 15.145 -5.948 5.952 1.00 0.00 H new ATOM 1383 N SER B 14 11.334 -8.944 3.460 1.00 0.00 N ATOM 1384 CA SER B 14 12.484 -9.865 3.624 1.00 0.00 C ATOM 1385 C SER B 14 12.621 -10.143 5.111 1.00 0.00 C ATOM 1386 O SER B 14 12.966 -11.224 5.547 1.00 0.00 O ATOM 1387 CB SER B 14 13.756 -9.176 3.124 1.00 0.00 C ATOM 1388 OG SER B 14 14.692 -10.164 2.710 1.00 0.00 O ATOM 0 H SER B 14 10.927 -8.618 4.337 1.00 0.00 H new ATOM 0 HA SER B 14 12.333 -10.787 3.062 1.00 0.00 H new ATOM 0 HB2 SER B 14 13.521 -8.510 2.294 1.00 0.00 H new ATOM 0 HB3 SER B 14 14.185 -8.560 3.914 1.00 0.00 H new ATOM 0 HG SER B 14 15.508 -9.727 2.387 1.00 0.00 H new ATOM 1394 N LYS B 15 12.364 -9.125 5.880 1.00 0.00 N ATOM 1395 CA LYS B 15 12.471 -9.202 7.350 1.00 0.00 C ATOM 1396 C LYS B 15 11.278 -8.484 7.983 1.00 0.00 C ATOM 1397 O LYS B 15 10.661 -7.651 7.360 1.00 0.00 O ATOM 1398 CB LYS B 15 13.716 -8.431 7.736 1.00 0.00 C ATOM 1399 CG LYS B 15 14.872 -8.816 6.813 1.00 0.00 C ATOM 1400 CD LYS B 15 16.102 -9.147 7.653 1.00 0.00 C ATOM 1401 CE LYS B 15 15.749 -10.250 8.651 1.00 0.00 C ATOM 1402 NZ LYS B 15 16.972 -11.038 8.973 1.00 0.00 N ATOM 0 H LYS B 15 12.074 -8.212 5.530 1.00 0.00 H new ATOM 0 HA LYS B 15 12.502 -10.240 7.680 1.00 0.00 H new ATOM 0 HB2 LYS B 15 13.527 -7.360 7.669 1.00 0.00 H new ATOM 0 HB3 LYS B 15 13.980 -8.644 8.772 1.00 0.00 H new ATOM 0 HG2 LYS B 15 14.594 -9.674 6.202 1.00 0.00 H new ATOM 0 HG3 LYS B 15 15.095 -7.997 6.129 1.00 0.00 H new ATOM 0 HD2 LYS B 15 16.920 -9.471 7.009 1.00 0.00 H new ATOM 0 HD3 LYS B 15 16.446 -8.258 8.182 1.00 0.00 H new ATOM 0 HE2 LYS B 15 15.335 -9.814 9.560 1.00 0.00 H new ATOM 0 HE3 LYS B 15 14.983 -10.902 8.232 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 16.733 -11.789 9.652 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 17.349 -11.465 8.103 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 17.690 -10.411 9.389 1.00 0.00 H new ATOM 1416 N PRO B 16 11.010 -8.786 9.216 1.00 0.00 N ATOM 1417 CA PRO B 16 9.962 -8.145 9.960 1.00 0.00 C ATOM 1418 C PRO B 16 10.471 -6.924 10.648 1.00 0.00 C ATOM 1419 O PRO B 16 11.638 -6.776 10.953 1.00 0.00 O ATOM 1420 CB PRO B 16 9.492 -9.157 10.948 1.00 0.00 C ATOM 1421 CG PRO B 16 10.659 -10.105 11.097 1.00 0.00 C ATOM 1422 CD PRO B 16 11.673 -9.805 9.974 1.00 0.00 C ATOM 0 HA PRO B 16 9.151 -7.816 9.310 1.00 0.00 H new ATOM 0 HB2 PRO B 16 9.233 -8.693 11.900 1.00 0.00 H new ATOM 0 HB3 PRO B 16 8.601 -9.675 10.593 1.00 0.00 H new ATOM 0 HG2 PRO B 16 11.127 -9.981 12.074 1.00 0.00 H new ATOM 0 HG3 PRO B 16 10.319 -11.139 11.035 1.00 0.00 H new ATOM 0 HD2 PRO B 16 12.627 -9.458 10.372 1.00 0.00 H new ATOM 0 HD3 PRO B 16 11.882 -10.688 9.370 1.00 0.00 H new ATOM 1430 N PHE B 17 9.593 -6.021 10.815 1.00 0.00 N ATOM 1431 CA PHE B 17 9.971 -4.736 11.401 1.00 0.00 C ATOM 1432 C PHE B 17 8.710 -3.929 11.661 1.00 0.00 C ATOM 1433 O PHE B 17 7.623 -4.362 11.341 1.00 0.00 O ATOM 1434 CB PHE B 17 10.800 -4.040 10.340 1.00 0.00 C ATOM 1435 CG PHE B 17 9.980 -3.974 9.069 1.00 0.00 C ATOM 1436 CD1 PHE B 17 9.687 -5.142 8.332 1.00 0.00 C ATOM 1437 CD2 PHE B 17 9.484 -2.744 8.619 1.00 0.00 C ATOM 1438 CE1 PHE B 17 8.936 -5.065 7.187 1.00 0.00 C ATOM 1439 CE2 PHE B 17 8.731 -2.680 7.473 1.00 0.00 C ATOM 1440 CZ PHE B 17 8.457 -3.840 6.750 1.00 0.00 C ATOM 0 H PHE B 17 8.608 -6.113 10.568 1.00 0.00 H new ATOM 0 HA PHE B 17 10.517 -4.848 12.338 1.00 0.00 H new ATOM 0 HB2 PHE B 17 11.074 -3.037 10.668 1.00 0.00 H new ATOM 0 HB3 PHE B 17 11.729 -4.583 10.166 1.00 0.00 H new ATOM 0 HD1 PHE B 17 10.055 -6.099 8.671 1.00 0.00 H new ATOM 0 HD2 PHE B 17 9.695 -1.843 9.176 1.00 0.00 H new ATOM 0 HE1 PHE B 17 8.717 -5.961 6.625 1.00 0.00 H new ATOM 0 HE2 PHE B 17 8.350 -1.729 7.131 1.00 0.00 H new ATOM 0 HZ PHE B 17 7.869 -3.784 5.846 1.00 0.00 H new ATOM 1450 N HIS B 18 8.829 -2.747 12.191 1.00 0.00 N ATOM 1451 CA HIS B 18 7.637 -1.940 12.400 1.00 0.00 C ATOM 1452 C HIS B 18 7.264 -1.371 11.040 1.00 0.00 C ATOM 1453 O HIS B 18 8.008 -0.589 10.481 1.00 0.00 O ATOM 1454 CB HIS B 18 7.959 -0.823 13.378 1.00 0.00 C ATOM 1455 CG HIS B 18 7.849 -1.349 14.760 1.00 0.00 C ATOM 1456 ND1 HIS B 18 8.849 -2.079 15.379 1.00 0.00 N ATOM 1457 CD2 HIS B 18 6.843 -1.255 15.643 1.00 0.00 C ATOM 1458 CE1 HIS B 18 8.404 -2.396 16.608 1.00 0.00 C ATOM 1459 NE2 HIS B 18 7.176 -1.913 16.824 1.00 0.00 N ATOM 0 H HIS B 18 9.708 -2.319 12.483 1.00 0.00 H new ATOM 0 HA HIS B 18 6.813 -2.521 12.813 1.00 0.00 H new ATOM 0 HB2 HIS B 18 8.965 -0.443 13.198 1.00 0.00 H new ATOM 0 HB3 HIS B 18 7.272 0.012 13.236 1.00 0.00 H new ATOM 0 HD2 HIS B 18 5.909 -0.743 15.463 1.00 0.00 H new ATOM 0 HE1 HIS B 18 8.968 -2.969 17.330 1.00 0.00 H new ATOM 0 HE2 HIS B 18 6.609 -2.006 17.667 1.00 0.00 H new ATOM 1467 N PRO B 19 6.153 -1.801 10.516 1.00 0.00 N ATOM 1468 CA PRO B 19 5.723 -1.363 9.198 1.00 0.00 C ATOM 1469 C PRO B 19 5.316 0.112 9.257 1.00 0.00 C ATOM 1470 O PRO B 19 5.057 0.748 8.256 1.00 0.00 O ATOM 1471 CB PRO B 19 4.539 -2.276 8.870 1.00 0.00 C ATOM 1472 CG PRO B 19 4.028 -2.808 10.224 1.00 0.00 C ATOM 1473 CD PRO B 19 5.227 -2.724 11.185 1.00 0.00 C ATOM 0 HA PRO B 19 6.499 -1.431 8.435 1.00 0.00 H new ATOM 0 HB2 PRO B 19 3.757 -1.728 8.345 1.00 0.00 H new ATOM 0 HB3 PRO B 19 4.846 -3.095 8.219 1.00 0.00 H new ATOM 0 HG2 PRO B 19 3.192 -2.211 10.588 1.00 0.00 H new ATOM 0 HG3 PRO B 19 3.671 -3.834 10.132 1.00 0.00 H new ATOM 0 HD2 PRO B 19 4.928 -2.350 12.164 1.00 0.00 H new ATOM 0 HD3 PRO B 19 5.682 -3.702 11.342 1.00 0.00 H new ATOM 1481 N LYS B 20 5.262 0.650 10.445 1.00 0.00 N ATOM 1482 CA LYS B 20 4.884 2.072 10.632 1.00 0.00 C ATOM 1483 C LYS B 20 5.895 2.984 9.944 1.00 0.00 C ATOM 1484 O LYS B 20 5.542 3.952 9.300 1.00 0.00 O ATOM 1485 CB LYS B 20 4.897 2.364 12.115 1.00 0.00 C ATOM 1486 CG LYS B 20 3.475 2.555 12.614 1.00 0.00 C ATOM 1487 CD LYS B 20 3.450 3.760 13.545 1.00 0.00 C ATOM 1488 CE LYS B 20 2.259 3.651 14.500 1.00 0.00 C ATOM 1489 NZ LYS B 20 2.698 3.983 15.885 1.00 0.00 N ATOM 0 H LYS B 20 5.469 0.149 11.309 1.00 0.00 H new ATOM 0 HA LYS B 20 3.898 2.250 10.202 1.00 0.00 H new ATOM 0 HB2 LYS B 20 5.374 1.544 12.652 1.00 0.00 H new ATOM 0 HB3 LYS B 20 5.485 3.260 12.313 1.00 0.00 H new ATOM 0 HG2 LYS B 20 2.796 2.710 11.775 1.00 0.00 H new ATOM 0 HG3 LYS B 20 3.134 1.663 13.139 1.00 0.00 H new ATOM 0 HD2 LYS B 20 4.379 3.813 14.112 1.00 0.00 H new ATOM 0 HD3 LYS B 20 3.379 4.679 12.964 1.00 0.00 H new ATOM 0 HE2 LYS B 20 1.465 4.329 14.187 1.00 0.00 H new ATOM 0 HE3 LYS B 20 1.847 2.642 14.470 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 1.888 3.909 16.533 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 3.441 3.319 16.182 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 3.071 4.953 15.908 1.00 0.00 H new ATOM 1503 N PHE B 21 7.156 2.687 10.087 1.00 0.00 N ATOM 1504 CA PHE B 21 8.205 3.528 9.464 1.00 0.00 C ATOM 1505 C PHE B 21 8.363 3.189 7.976 1.00 0.00 C ATOM 1506 O PHE B 21 9.378 3.471 7.386 1.00 0.00 O ATOM 1507 CB PHE B 21 9.508 3.272 10.231 1.00 0.00 C ATOM 1508 CG PHE B 21 10.451 2.412 9.462 1.00 0.00 C ATOM 1509 CD1 PHE B 21 10.018 1.180 8.980 1.00 0.00 C ATOM 1510 CD2 PHE B 21 11.759 2.842 9.251 1.00 0.00 C ATOM 1511 CE1 PHE B 21 10.897 0.374 8.278 1.00 0.00 C ATOM 1512 CE2 PHE B 21 12.640 2.033 8.550 1.00 0.00 C ATOM 1513 CZ PHE B 21 12.205 0.803 8.065 1.00 0.00 C ATOM 0 H PHE B 21 7.504 1.887 10.616 1.00 0.00 H new ATOM 0 HA PHE B 21 7.935 4.583 9.518 1.00 0.00 H new ATOM 0 HB2 PHE B 21 9.988 4.224 10.457 1.00 0.00 H new ATOM 0 HB3 PHE B 21 9.279 2.796 11.185 1.00 0.00 H new ATOM 0 HD1 PHE B 21 9.003 0.855 9.153 1.00 0.00 H new ATOM 0 HD2 PHE B 21 12.085 3.799 9.631 1.00 0.00 H new ATOM 0 HE1 PHE B 21 10.571 -0.583 7.897 1.00 0.00 H new ATOM 0 HE2 PHE B 21 13.657 2.355 8.381 1.00 0.00 H new ATOM 0 HZ PHE B 21 12.890 0.173 7.517 1.00 0.00 H new ATOM 1523 N ILE B 22 7.376 2.611 7.358 1.00 0.00 N ATOM 1524 CA ILE B 22 7.498 2.285 5.923 1.00 0.00 C ATOM 1525 C ILE B 22 7.281 3.548 5.088 1.00 0.00 C ATOM 1526 O ILE B 22 6.289 4.236 5.228 1.00 0.00 O ATOM 1527 CB ILE B 22 6.449 1.249 5.569 1.00 0.00 C ATOM 1528 CG1 ILE B 22 5.073 1.846 5.848 1.00 0.00 C ATOM 1529 CG2 ILE B 22 6.669 -0.012 6.409 1.00 0.00 C ATOM 1530 CD1 ILE B 22 4.004 0.752 5.846 1.00 0.00 C ATOM 0 H ILE B 22 6.489 2.351 7.790 1.00 0.00 H new ATOM 0 HA ILE B 22 8.493 1.891 5.714 1.00 0.00 H new ATOM 0 HB ILE B 22 6.521 0.975 4.516 1.00 0.00 H new ATOM 0 HG12 ILE B 22 5.079 2.355 6.812 1.00 0.00 H new ATOM 0 HG13 ILE B 22 4.836 2.596 5.093 1.00 0.00 H new ATOM 0 HG21 ILE B 22 5.914 -0.756 6.153 1.00 0.00 H new ATOM 0 HG22 ILE B 22 7.660 -0.416 6.205 1.00 0.00 H new ATOM 0 HG23 ILE B 22 6.589 0.237 7.467 1.00 0.00 H new ATOM 0 HD11 ILE B 22 3.029 1.196 6.047 1.00 0.00 H new ATOM 0 HD12 ILE B 22 3.986 0.262 4.872 1.00 0.00 H new ATOM 0 HD13 ILE B 22 4.234 0.017 6.618 1.00 0.00 H new ATOM 1542 N LYS B 23 8.201 3.853 4.212 1.00 0.00 N ATOM 1543 CA LYS B 23 8.046 5.065 3.361 1.00 0.00 C ATOM 1544 C LYS B 23 7.076 4.754 2.228 1.00 0.00 C ATOM 1545 O LYS B 23 6.278 5.583 1.841 1.00 0.00 O ATOM 1546 CB LYS B 23 9.404 5.469 2.780 1.00 0.00 C ATOM 1547 CG LYS B 23 9.308 6.874 2.185 1.00 0.00 C ATOM 1548 CD LYS B 23 10.641 7.245 1.530 1.00 0.00 C ATOM 1549 CE LYS B 23 11.782 7.021 2.524 1.00 0.00 C ATOM 1550 NZ LYS B 23 13.045 7.577 1.962 1.00 0.00 N ATOM 0 H LYS B 23 9.052 3.315 4.050 1.00 0.00 H new ATOM 0 HA LYS B 23 7.660 5.888 3.963 1.00 0.00 H new ATOM 0 HB2 LYS B 23 10.166 5.444 3.559 1.00 0.00 H new ATOM 0 HB3 LYS B 23 9.709 4.758 2.012 1.00 0.00 H new ATOM 0 HG2 LYS B 23 8.505 6.914 1.449 1.00 0.00 H new ATOM 0 HG3 LYS B 23 9.061 7.594 2.965 1.00 0.00 H new ATOM 0 HD2 LYS B 23 10.799 6.640 0.637 1.00 0.00 H new ATOM 0 HD3 LYS B 23 10.623 8.287 1.210 1.00 0.00 H new ATOM 0 HE2 LYS B 23 11.551 7.503 3.474 1.00 0.00 H new ATOM 0 HE3 LYS B 23 11.899 5.956 2.726 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 13.846 7.293 2.561 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 13.187 7.211 0.999 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 12.985 8.615 1.933 1.00 0.00 H new ATOM 1564 N GLU B 24 7.124 3.566 1.694 1.00 0.00 N ATOM 1565 CA GLU B 24 6.172 3.230 0.594 1.00 0.00 C ATOM 1566 C GLU B 24 5.484 1.902 0.913 1.00 0.00 C ATOM 1567 O GLU B 24 6.107 0.872 0.943 1.00 0.00 O ATOM 1568 CB GLU B 24 6.930 3.124 -0.731 1.00 0.00 C ATOM 1569 CG GLU B 24 6.618 4.347 -1.594 1.00 0.00 C ATOM 1570 CD GLU B 24 7.299 5.578 -0.996 1.00 0.00 C ATOM 1571 OE1 GLU B 24 8.462 5.472 -0.643 1.00 0.00 O ATOM 1572 OE2 GLU B 24 6.648 6.605 -0.903 1.00 0.00 O ATOM 0 H GLU B 24 7.769 2.823 1.964 1.00 0.00 H new ATOM 0 HA GLU B 24 5.420 4.014 0.507 1.00 0.00 H new ATOM 0 HB2 GLU B 24 8.002 3.060 -0.545 1.00 0.00 H new ATOM 0 HB3 GLU B 24 6.643 2.212 -1.255 1.00 0.00 H new ATOM 0 HG2 GLU B 24 6.967 4.185 -2.614 1.00 0.00 H new ATOM 0 HG3 GLU B 24 5.541 4.503 -1.646 1.00 0.00 H new ATOM 1579 N LEU B 25 4.197 1.906 1.122 1.00 0.00 N ATOM 1580 CA LEU B 25 3.496 0.629 1.417 1.00 0.00 C ATOM 1581 C LEU B 25 2.946 0.130 0.111 1.00 0.00 C ATOM 1582 O LEU B 25 1.959 0.637 -0.369 1.00 0.00 O ATOM 1583 CB LEU B 25 2.353 0.871 2.391 1.00 0.00 C ATOM 1584 CG LEU B 25 1.967 -0.452 3.034 1.00 0.00 C ATOM 1585 CD1 LEU B 25 1.405 -1.391 1.987 1.00 0.00 C ATOM 1586 CD2 LEU B 25 3.189 -1.102 3.644 1.00 0.00 C ATOM 0 H LEU B 25 3.604 2.735 1.101 1.00 0.00 H new ATOM 0 HA LEU B 25 4.176 -0.094 1.867 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.654 1.588 3.155 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.498 1.301 1.870 1.00 0.00 H new ATOM 0 HG LEU B 25 1.220 -0.257 3.803 1.00 0.00 H new ATOM 0 HD11 LEU B 25 1.131 -2.336 2.456 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.522 -0.942 1.532 1.00 0.00 H new ATOM 0 HD13 LEU B 25 2.157 -1.571 1.219 1.00 0.00 H new ATOM 0 HD21 LEU B 25 2.906 -2.049 4.103 1.00 0.00 H new ATOM 0 HD22 LEU B 25 3.931 -1.283 2.867 1.00 0.00 H new ATOM 0 HD23 LEU B 25 3.611 -0.443 4.403 1.00 0.00 H new ATOM 1598 N ARG B 26 3.568 -0.840 -0.488 1.00 0.00 N ATOM 1599 CA ARG B 26 3.075 -1.305 -1.768 1.00 0.00 C ATOM 1600 C ARG B 26 2.282 -2.574 -1.545 1.00 0.00 C ATOM 1601 O ARG B 26 2.536 -3.324 -0.639 1.00 0.00 O ATOM 1602 CB ARG B 26 4.271 -1.479 -2.710 1.00 0.00 C ATOM 1603 CG ARG B 26 4.013 -2.587 -3.672 1.00 0.00 C ATOM 1604 CD ARG B 26 5.211 -2.763 -4.602 1.00 0.00 C ATOM 1605 NE ARG B 26 4.942 -2.029 -5.861 1.00 0.00 N ATOM 1606 CZ ARG B 26 5.829 -2.014 -6.818 1.00 0.00 C ATOM 1607 NH1 ARG B 26 5.920 -3.025 -7.639 1.00 0.00 N ATOM 1608 NH2 ARG B 26 6.623 -0.989 -6.957 1.00 0.00 N ATOM 0 H ARG B 26 4.395 -1.319 -0.132 1.00 0.00 H new ATOM 0 HA ARG B 26 2.400 -0.591 -2.239 1.00 0.00 H new ATOM 0 HB2 ARG B 26 4.453 -0.552 -3.253 1.00 0.00 H new ATOM 0 HB3 ARG B 26 5.170 -1.692 -2.132 1.00 0.00 H new ATOM 0 HG2 ARG B 26 3.824 -3.514 -3.130 1.00 0.00 H new ATOM 0 HG3 ARG B 26 3.118 -2.371 -4.256 1.00 0.00 H new ATOM 0 HD2 ARG B 26 6.117 -2.384 -4.129 1.00 0.00 H new ATOM 0 HD3 ARG B 26 5.378 -3.820 -4.808 1.00 0.00 H new ATOM 0 HE ARG B 26 4.059 -1.533 -5.980 1.00 0.00 H new ATOM 0 HH11 ARG B 26 5.298 -3.826 -7.532 1.00 0.00 H new ATOM 0 HH12 ARG B 26 6.613 -3.014 -8.387 1.00 0.00 H new ATOM 0 HH21 ARG B 26 6.551 -0.198 -6.317 1.00 0.00 H new ATOM 0 HH22 ARG B 26 7.316 -0.978 -7.705 1.00 0.00 H new ATOM 1622 N VAL B 27 1.284 -2.790 -2.327 1.00 0.00 N ATOM 1623 CA VAL B 27 0.457 -4.014 -2.115 1.00 0.00 C ATOM 1624 C VAL B 27 0.203 -4.722 -3.443 1.00 0.00 C ATOM 1625 O VAL B 27 -0.476 -4.213 -4.303 1.00 0.00 O ATOM 1626 CB VAL B 27 -0.880 -3.627 -1.484 1.00 0.00 C ATOM 1627 CG1 VAL B 27 -1.635 -4.877 -1.073 1.00 0.00 C ATOM 1628 CG2 VAL B 27 -0.639 -2.800 -0.235 1.00 0.00 C ATOM 0 H VAL B 27 0.996 -2.188 -3.099 1.00 0.00 H new ATOM 0 HA VAL B 27 0.997 -4.689 -1.451 1.00 0.00 H new ATOM 0 HB VAL B 27 -1.454 -3.057 -2.214 1.00 0.00 H new ATOM 0 HG11 VAL B 27 -2.587 -4.596 -0.624 1.00 0.00 H new ATOM 0 HG12 VAL B 27 -1.817 -5.497 -1.951 1.00 0.00 H new ATOM 0 HG13 VAL B 27 -1.044 -5.438 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL B 27 -1.595 -2.527 0.211 1.00 0.00 H new ATOM 0 HG22 VAL B 27 -0.058 -3.382 0.480 1.00 0.00 H new ATOM 0 HG23 VAL B 27 -0.090 -1.896 -0.498 1.00 0.00 H new ATOM 1638 N ILE B 28 0.711 -5.909 -3.614 1.00 0.00 N ATOM 1639 CA ILE B 28 0.450 -6.623 -4.875 1.00 0.00 C ATOM 1640 C ILE B 28 -0.970 -7.167 -4.827 1.00 0.00 C ATOM 1641 O ILE B 28 -1.193 -8.311 -4.497 1.00 0.00 O ATOM 1642 CB ILE B 28 1.456 -7.754 -5.053 1.00 0.00 C ATOM 1643 CG1 ILE B 28 1.861 -8.321 -3.708 1.00 0.00 C ATOM 1644 CG2 ILE B 28 2.694 -7.196 -5.734 1.00 0.00 C ATOM 1645 CD1 ILE B 28 2.417 -9.734 -3.889 1.00 0.00 C ATOM 0 H ILE B 28 1.290 -6.406 -2.937 1.00 0.00 H new ATOM 0 HA ILE B 28 0.556 -5.947 -5.723 1.00 0.00 H new ATOM 0 HB ILE B 28 1.002 -8.544 -5.651 1.00 0.00 H new ATOM 0 HG12 ILE B 28 2.612 -7.681 -3.244 1.00 0.00 H new ATOM 0 HG13 ILE B 28 1.002 -8.341 -3.038 1.00 0.00 H new ATOM 0 HG21 ILE B 28 3.425 -7.993 -5.869 1.00 0.00 H new ATOM 0 HG22 ILE B 28 2.421 -6.785 -6.706 1.00 0.00 H new ATOM 0 HG23 ILE B 28 3.126 -6.409 -5.116 1.00 0.00 H new ATOM 0 HD11 ILE B 28 2.707 -10.138 -2.919 1.00 0.00 H new ATOM 0 HD12 ILE B 28 1.653 -10.371 -4.334 1.00 0.00 H new ATOM 0 HD13 ILE B 28 3.288 -9.701 -4.543 1.00 0.00 H new ATOM 1657 N GLU B 29 -1.939 -6.339 -5.123 1.00 0.00 N ATOM 1658 CA GLU B 29 -3.352 -6.808 -5.065 1.00 0.00 C ATOM 1659 C GLU B 29 -3.896 -7.061 -6.476 1.00 0.00 C ATOM 1660 O GLU B 29 -4.888 -6.483 -6.873 1.00 0.00 O ATOM 1661 CB GLU B 29 -4.208 -5.741 -4.378 1.00 0.00 C ATOM 1662 CG GLU B 29 -5.596 -6.311 -4.081 1.00 0.00 C ATOM 1663 CD GLU B 29 -6.541 -5.174 -3.688 1.00 0.00 C ATOM 1664 OE1 GLU B 29 -6.048 -4.125 -3.307 1.00 0.00 O ATOM 1665 OE2 GLU B 29 -7.742 -5.371 -3.776 1.00 0.00 O ATOM 0 H GLU B 29 -1.813 -5.366 -5.400 1.00 0.00 H new ATOM 0 HA GLU B 29 -3.390 -7.741 -4.503 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -3.731 -5.417 -3.453 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -4.294 -4.862 -5.017 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -5.982 -6.832 -4.957 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -5.536 -7.043 -3.275 1.00 0.00 H new ATOM 1672 N SER B 30 -3.270 -7.920 -7.238 1.00 0.00 N ATOM 1673 CA SER B 30 -3.786 -8.191 -8.611 1.00 0.00 C ATOM 1674 C SER B 30 -4.959 -9.168 -8.518 1.00 0.00 C ATOM 1675 O SER B 30 -5.393 -9.524 -7.440 1.00 0.00 O ATOM 1676 CB SER B 30 -2.676 -8.806 -9.464 1.00 0.00 C ATOM 1677 OG SER B 30 -3.097 -8.856 -10.821 1.00 0.00 O ATOM 0 H SER B 30 -2.433 -8.440 -6.973 1.00 0.00 H new ATOM 0 HA SER B 30 -4.117 -7.259 -9.070 1.00 0.00 H new ATOM 0 HB2 SER B 30 -1.765 -8.215 -9.376 1.00 0.00 H new ATOM 0 HB3 SER B 30 -2.441 -9.809 -9.107 1.00 0.00 H new ATOM 0 HG SER B 30 -3.387 -9.766 -11.040 1.00 0.00 H new ATOM 1683 N GLY B 31 -5.476 -9.611 -9.632 1.00 0.00 N ATOM 1684 CA GLY B 31 -6.614 -10.573 -9.587 1.00 0.00 C ATOM 1685 C GLY B 31 -6.164 -11.843 -8.859 1.00 0.00 C ATOM 1686 O GLY B 31 -5.337 -11.786 -7.976 1.00 0.00 O ATOM 0 H GLY B 31 -5.162 -9.350 -10.567 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -7.465 -10.126 -9.073 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -6.943 -10.815 -10.598 1.00 0.00 H new ATOM 1690 N PRO B 32 -6.740 -12.952 -9.227 1.00 0.00 N ATOM 1691 CA PRO B 32 -6.424 -14.215 -8.655 1.00 0.00 C ATOM 1692 C PRO B 32 -5.515 -15.031 -9.575 1.00 0.00 C ATOM 1693 O PRO B 32 -5.913 -15.465 -10.638 1.00 0.00 O ATOM 1694 CB PRO B 32 -7.779 -14.899 -8.556 1.00 0.00 C ATOM 1695 CG PRO B 32 -8.638 -14.220 -9.652 1.00 0.00 C ATOM 1696 CD PRO B 32 -7.806 -13.022 -10.155 1.00 0.00 C ATOM 0 HA PRO B 32 -5.899 -14.119 -7.705 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -7.695 -15.972 -8.726 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -8.219 -14.766 -7.568 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -8.856 -14.914 -10.464 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -9.596 -13.890 -9.250 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -7.445 -13.182 -11.171 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -8.391 -12.102 -10.166 1.00 0.00 H new ATOM 1704 N HIS B 33 -4.308 -15.232 -9.176 1.00 0.00 N ATOM 1705 CA HIS B 33 -3.351 -16.017 -10.026 1.00 0.00 C ATOM 1706 C HIS B 33 -2.169 -16.484 -9.176 1.00 0.00 C ATOM 1707 O HIS B 33 -2.168 -17.572 -8.635 1.00 0.00 O ATOM 1708 CB HIS B 33 -2.835 -15.126 -11.165 1.00 0.00 C ATOM 1709 CG HIS B 33 -3.215 -13.714 -10.854 1.00 0.00 C ATOM 1710 ND1 HIS B 33 -2.935 -13.161 -9.624 1.00 0.00 N ATOM 1711 CD2 HIS B 33 -3.943 -12.779 -11.535 1.00 0.00 C ATOM 1712 CE1 HIS B 33 -3.495 -11.953 -9.591 1.00 0.00 C ATOM 1713 NE2 HIS B 33 -4.118 -11.658 -10.735 1.00 0.00 N ATOM 0 H HIS B 33 -3.924 -14.891 -8.295 1.00 0.00 H new ATOM 0 HA HIS B 33 -3.864 -16.885 -10.440 1.00 0.00 H new ATOM 0 HB2 HIS B 33 -1.753 -15.217 -11.260 1.00 0.00 H new ATOM 0 HB3 HIS B 33 -3.266 -15.436 -12.117 1.00 0.00 H new ATOM 0 HD1 HIS B 33 -2.397 -13.597 -8.875 1.00 0.00 H new ATOM 0 HD2 HIS B 33 -4.323 -12.894 -12.539 1.00 0.00 H new ATOM 0 HE1 HIS B 33 -3.451 -11.290 -8.740 1.00 0.00 H new ATOM 1721 N CYS B 34 -1.161 -15.664 -9.057 1.00 0.00 N ATOM 1722 CA CYS B 34 0.028 -16.049 -8.246 1.00 0.00 C ATOM 1723 C CYS B 34 1.065 -14.920 -8.286 1.00 0.00 C ATOM 1724 O CYS B 34 1.844 -14.750 -7.370 1.00 0.00 O ATOM 1725 CB CYS B 34 0.641 -17.327 -8.819 1.00 0.00 C ATOM 1726 SG CYS B 34 1.949 -17.917 -7.715 1.00 0.00 S ATOM 0 H CYS B 34 -1.110 -14.741 -9.488 1.00 0.00 H new ATOM 0 HA CYS B 34 -0.277 -16.222 -7.214 1.00 0.00 H new ATOM 0 HB2 CYS B 34 -0.127 -18.092 -8.932 1.00 0.00 H new ATOM 0 HB3 CYS B 34 1.048 -17.135 -9.812 1.00 0.00 H new ATOM 1731 N ALA B 35 1.082 -14.149 -9.341 1.00 0.00 N ATOM 1732 CA ALA B 35 2.064 -13.035 -9.440 1.00 0.00 C ATOM 1733 C ALA B 35 1.880 -12.069 -8.276 1.00 0.00 C ATOM 1734 O ALA B 35 2.554 -12.150 -7.268 1.00 0.00 O ATOM 1735 CB ALA B 35 1.842 -12.285 -10.753 1.00 0.00 C ATOM 0 H ALA B 35 0.455 -14.245 -10.140 1.00 0.00 H new ATOM 0 HA ALA B 35 3.073 -13.445 -9.409 1.00 0.00 H new ATOM 0 HB1 ALA B 35 2.559 -11.468 -10.831 1.00 0.00 H new ATOM 0 HB2 ALA B 35 1.979 -12.969 -11.590 1.00 0.00 H new ATOM 0 HB3 ALA B 35 0.829 -11.883 -10.775 1.00 0.00 H new ATOM 1741 N ASN B 36 0.981 -11.147 -8.421 1.00 0.00 N ATOM 1742 CA ASN B 36 0.738 -10.153 -7.359 1.00 0.00 C ATOM 1743 C ASN B 36 -0.603 -10.410 -6.692 1.00 0.00 C ATOM 1744 O ASN B 36 -1.623 -10.547 -7.338 1.00 0.00 O ATOM 1745 CB ASN B 36 0.686 -8.797 -7.999 1.00 0.00 C ATOM 1746 CG ASN B 36 1.879 -8.600 -8.894 1.00 0.00 C ATOM 1747 OD1 ASN B 36 1.778 -7.747 -9.849 1.00 0.00 O flip ATOM 1748 ND2 ASN B 36 2.907 -9.225 -8.726 1.00 0.00 N flip ATOM 0 H ASN B 36 0.394 -11.041 -9.248 1.00 0.00 H new ATOM 0 HA ASN B 36 1.531 -10.217 -6.613 1.00 0.00 H new ATOM 0 HB2 ASN B 36 -0.232 -8.694 -8.577 1.00 0.00 H new ATOM 0 HB3 ASN B 36 0.667 -8.024 -7.230 1.00 0.00 H new ATOM 0 HD21 ASN B 36 2.975 -9.900 -7.964 1.00 0.00 H new ATOM 0 HD22 ASN B 36 3.702 -9.075 -9.347 1.00 0.00 H new ATOM 1755 N THR B 37 -0.609 -10.474 -5.402 1.00 0.00 N ATOM 1756 CA THR B 37 -1.884 -10.736 -4.690 1.00 0.00 C ATOM 1757 C THR B 37 -1.691 -10.623 -3.174 1.00 0.00 C ATOM 1758 O THR B 37 -2.556 -10.977 -2.398 1.00 0.00 O ATOM 1759 CB THR B 37 -2.276 -12.149 -5.038 1.00 0.00 C ATOM 1760 OG1 THR B 37 -3.578 -12.428 -4.539 1.00 0.00 O ATOM 1761 CG2 THR B 37 -1.249 -13.092 -4.411 1.00 0.00 C ATOM 0 H THR B 37 0.210 -10.357 -4.806 1.00 0.00 H new ATOM 0 HA THR B 37 -2.646 -10.014 -4.983 1.00 0.00 H new ATOM 0 HB THR B 37 -2.294 -12.285 -6.119 1.00 0.00 H new ATOM 0 HG1 THR B 37 -3.672 -12.049 -3.640 1.00 0.00 H new ATOM 0 HG21 THR B 37 -1.510 -14.123 -4.648 1.00 0.00 H new ATOM 0 HG22 THR B 37 -0.259 -12.868 -4.808 1.00 0.00 H new ATOM 0 HG23 THR B 37 -1.245 -12.958 -3.329 1.00 0.00 H new ATOM 1769 N GLU B 38 -0.558 -10.156 -2.753 1.00 0.00 N ATOM 1770 CA GLU B 38 -0.294 -10.045 -1.280 1.00 0.00 C ATOM 1771 C GLU B 38 0.041 -8.599 -0.881 1.00 0.00 C ATOM 1772 O GLU B 38 -0.231 -7.657 -1.605 1.00 0.00 O ATOM 1773 CB GLU B 38 0.878 -10.955 -0.904 1.00 0.00 C ATOM 1774 CG GLU B 38 0.389 -12.053 0.041 1.00 0.00 C ATOM 1775 CD GLU B 38 -0.153 -13.226 -0.777 1.00 0.00 C ATOM 1776 OE1 GLU B 38 0.575 -13.718 -1.624 1.00 0.00 O ATOM 1777 OE2 GLU B 38 -1.286 -13.613 -0.542 1.00 0.00 O ATOM 0 H GLU B 38 0.203 -9.844 -3.356 1.00 0.00 H new ATOM 0 HA GLU B 38 -1.196 -10.349 -0.748 1.00 0.00 H new ATOM 0 HB2 GLU B 38 1.310 -11.398 -1.801 1.00 0.00 H new ATOM 0 HB3 GLU B 38 1.665 -10.373 -0.425 1.00 0.00 H new ATOM 0 HG2 GLU B 38 1.206 -12.388 0.680 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -0.389 -11.663 0.697 1.00 0.00 H new ATOM 1784 N ILE B 39 0.631 -8.416 0.279 1.00 0.00 N ATOM 1785 CA ILE B 39 0.977 -7.039 0.730 1.00 0.00 C ATOM 1786 C ILE B 39 2.421 -6.730 0.340 1.00 0.00 C ATOM 1787 O ILE B 39 3.169 -7.608 -0.036 1.00 0.00 O ATOM 1788 CB ILE B 39 0.834 -6.944 2.251 1.00 0.00 C ATOM 1789 CG1 ILE B 39 -0.460 -7.634 2.689 1.00 0.00 C ATOM 1790 CG2 ILE B 39 0.792 -5.472 2.667 1.00 0.00 C ATOM 1791 CD1 ILE B 39 -0.531 -7.663 4.217 1.00 0.00 C ATOM 0 H ILE B 39 0.885 -9.162 0.927 1.00 0.00 H new ATOM 0 HA ILE B 39 0.305 -6.323 0.257 1.00 0.00 H new ATOM 0 HB ILE B 39 1.684 -7.434 2.726 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -1.322 -7.104 2.284 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -0.495 -8.649 2.293 1.00 0.00 H new ATOM 0 HG21 ILE B 39 0.690 -5.403 3.750 1.00 0.00 H new ATOM 0 HG22 ILE B 39 1.714 -4.980 2.357 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -0.058 -4.983 2.191 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -1.453 -8.154 4.529 1.00 0.00 H new ATOM 0 HD12 ILE B 39 0.324 -8.212 4.611 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -0.515 -6.643 4.601 1.00 0.00 H new ATOM 1803 N ILE B 40 2.816 -5.489 0.431 1.00 0.00 N ATOM 1804 CA ILE B 40 4.214 -5.120 0.064 1.00 0.00 C ATOM 1805 C ILE B 40 4.581 -3.780 0.740 1.00 0.00 C ATOM 1806 O ILE B 40 3.748 -3.126 1.330 1.00 0.00 O ATOM 1807 CB ILE B 40 4.319 -5.046 -1.459 1.00 0.00 C ATOM 1808 CG1 ILE B 40 4.312 -6.469 -2.016 1.00 0.00 C ATOM 1809 CG2 ILE B 40 5.606 -4.338 -1.868 1.00 0.00 C ATOM 1810 CD1 ILE B 40 4.788 -6.468 -3.471 1.00 0.00 C ATOM 0 H ILE B 40 2.231 -4.714 0.744 1.00 0.00 H new ATOM 0 HA ILE B 40 4.922 -5.870 0.415 1.00 0.00 H new ATOM 0 HB ILE B 40 3.475 -4.482 -1.857 1.00 0.00 H new ATOM 0 HG12 ILE B 40 4.960 -7.106 -1.414 1.00 0.00 H new ATOM 0 HG13 ILE B 40 3.307 -6.887 -1.954 1.00 0.00 H new ATOM 0 HG21 ILE B 40 5.667 -4.293 -2.955 1.00 0.00 H new ATOM 0 HG22 ILE B 40 5.610 -3.326 -1.462 1.00 0.00 H new ATOM 0 HG23 ILE B 40 6.463 -4.888 -1.479 1.00 0.00 H new ATOM 0 HD11 ILE B 40 4.779 -7.487 -3.857 1.00 0.00 H new ATOM 0 HD12 ILE B 40 4.123 -5.846 -4.071 1.00 0.00 H new ATOM 0 HD13 ILE B 40 5.801 -6.070 -3.522 1.00 0.00 H new ATOM 1822 N VAL B 41 5.819 -3.383 0.701 1.00 0.00 N ATOM 1823 CA VAL B 41 6.216 -2.143 1.403 1.00 0.00 C ATOM 1824 C VAL B 41 7.587 -1.661 0.953 1.00 0.00 C ATOM 1825 O VAL B 41 8.310 -2.300 0.198 1.00 0.00 O ATOM 1826 CB VAL B 41 6.260 -2.424 2.902 1.00 0.00 C ATOM 1827 CG1 VAL B 41 7.582 -3.072 3.262 1.00 0.00 C ATOM 1828 CG2 VAL B 41 6.105 -1.126 3.692 1.00 0.00 C ATOM 0 H VAL B 41 6.572 -3.867 0.212 1.00 0.00 H new ATOM 0 HA VAL B 41 5.488 -1.366 1.170 1.00 0.00 H new ATOM 0 HB VAL B 41 5.439 -3.095 3.154 1.00 0.00 H new ATOM 0 HG11 VAL B 41 7.610 -3.271 4.333 1.00 0.00 H new ATOM 0 HG12 VAL B 41 7.688 -4.009 2.716 1.00 0.00 H new ATOM 0 HG13 VAL B 41 8.400 -2.402 2.996 1.00 0.00 H new ATOM 0 HG21 VAL B 41 6.138 -1.344 4.760 1.00 0.00 H new ATOM 0 HG22 VAL B 41 6.916 -0.445 3.435 1.00 0.00 H new ATOM 0 HG23 VAL B 41 5.150 -0.662 3.446 1.00 0.00 H new ATOM 1838 N LYS B 42 7.943 -0.550 1.489 1.00 0.00 N ATOM 1839 CA LYS B 42 9.248 0.073 1.214 1.00 0.00 C ATOM 1840 C LYS B 42 9.751 0.639 2.528 1.00 0.00 C ATOM 1841 O LYS B 42 9.812 1.843 2.720 1.00 0.00 O ATOM 1842 CB LYS B 42 9.090 1.198 0.193 1.00 0.00 C ATOM 1843 CG LYS B 42 10.323 1.248 -0.712 1.00 0.00 C ATOM 1844 CD LYS B 42 10.373 2.595 -1.435 1.00 0.00 C ATOM 1845 CE LYS B 42 9.384 2.585 -2.602 1.00 0.00 C ATOM 1846 NZ LYS B 42 10.126 2.751 -3.884 1.00 0.00 N ATOM 0 H LYS B 42 7.358 -0.022 2.136 1.00 0.00 H new ATOM 0 HA LYS B 42 9.947 -0.656 0.805 1.00 0.00 H new ATOM 0 HB2 LYS B 42 8.194 1.036 -0.406 1.00 0.00 H new ATOM 0 HB3 LYS B 42 8.963 2.152 0.705 1.00 0.00 H new ATOM 0 HG2 LYS B 42 11.227 1.108 -0.120 1.00 0.00 H new ATOM 0 HG3 LYS B 42 10.288 0.435 -1.437 1.00 0.00 H new ATOM 0 HD2 LYS B 42 10.127 3.400 -0.743 1.00 0.00 H new ATOM 0 HD3 LYS B 42 11.382 2.786 -1.801 1.00 0.00 H new ATOM 0 HE2 LYS B 42 8.826 1.649 -2.611 1.00 0.00 H new ATOM 0 HE3 LYS B 42 8.657 3.389 -2.483 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 9.454 2.744 -4.678 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 10.640 3.655 -3.873 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 10.803 1.970 -3.997 1.00 0.00 H new ATOM 1860 N LEU B 43 10.071 -0.249 3.432 1.00 0.00 N ATOM 1861 CA LEU B 43 10.578 0.154 4.787 1.00 0.00 C ATOM 1862 C LEU B 43 11.425 1.416 4.630 1.00 0.00 C ATOM 1863 O LEU B 43 12.420 1.386 3.932 1.00 0.00 O ATOM 1864 CB LEU B 43 11.461 -0.948 5.376 1.00 0.00 C ATOM 1865 CG LEU B 43 10.784 -2.325 5.335 1.00 0.00 C ATOM 1866 CD1 LEU B 43 10.988 -3.045 4.030 1.00 0.00 C ATOM 1867 CD2 LEU B 43 11.456 -3.189 6.336 1.00 0.00 C ATOM 0 H LEU B 43 10.003 -1.257 3.290 1.00 0.00 H new ATOM 0 HA LEU B 43 9.730 0.328 5.449 1.00 0.00 H new ATOM 0 HB2 LEU B 43 12.400 -0.991 4.824 1.00 0.00 H new ATOM 0 HB3 LEU B 43 11.709 -0.699 6.408 1.00 0.00 H new ATOM 0 HG LEU B 43 9.721 -2.156 5.506 1.00 0.00 H new ATOM 0 HD11 LEU B 43 10.485 -4.011 4.065 1.00 0.00 H new ATOM 0 HD12 LEU B 43 10.573 -2.449 3.217 1.00 0.00 H new ATOM 0 HD13 LEU B 43 12.054 -3.197 3.861 1.00 0.00 H new ATOM 0 HD21 LEU B 43 10.996 -4.177 6.331 1.00 0.00 H new ATOM 0 HD22 LEU B 43 12.513 -3.280 6.087 1.00 0.00 H new ATOM 0 HD23 LEU B 43 11.353 -2.746 7.327 1.00 0.00 H new ATOM 1879 N SER B 44 11.048 2.485 5.319 1.00 0.00 N ATOM 1880 CA SER B 44 11.786 3.809 5.269 1.00 0.00 C ATOM 1881 C SER B 44 13.049 3.752 4.395 1.00 0.00 C ATOM 1882 O SER B 44 13.006 3.349 3.250 1.00 0.00 O ATOM 1883 CB SER B 44 12.141 4.276 6.681 1.00 0.00 C ATOM 1884 OG SER B 44 12.407 5.672 6.659 1.00 0.00 O ATOM 0 H SER B 44 10.233 2.494 5.933 1.00 0.00 H new ATOM 0 HA SER B 44 11.110 4.529 4.807 1.00 0.00 H new ATOM 0 HB2 SER B 44 11.320 4.061 7.365 1.00 0.00 H new ATOM 0 HB3 SER B 44 13.012 3.733 7.048 1.00 0.00 H new ATOM 0 HG SER B 44 12.633 5.976 7.563 1.00 0.00 H new ATOM 1890 N ASP B 45 14.166 4.201 4.892 1.00 0.00 N ATOM 1891 CA ASP B 45 15.394 4.184 4.061 1.00 0.00 C ATOM 1892 C ASP B 45 16.246 3.001 4.485 1.00 0.00 C ATOM 1893 O ASP B 45 17.448 3.106 4.629 1.00 0.00 O ATOM 1894 CB ASP B 45 16.164 5.470 4.267 1.00 0.00 C ATOM 1895 CG ASP B 45 16.282 6.216 2.937 1.00 0.00 C ATOM 1896 OD1 ASP B 45 16.491 5.560 1.929 1.00 0.00 O ATOM 1897 OD2 ASP B 45 16.160 7.429 2.948 1.00 0.00 O ATOM 0 H ASP B 45 14.279 4.577 5.833 1.00 0.00 H new ATOM 0 HA ASP B 45 15.133 4.095 3.007 1.00 0.00 H new ATOM 0 HB2 ASP B 45 15.658 6.095 5.002 1.00 0.00 H new ATOM 0 HB3 ASP B 45 17.156 5.252 4.663 1.00 0.00 H new ATOM 1902 N GLY B 46 15.630 1.875 4.717 1.00 0.00 N ATOM 1903 CA GLY B 46 16.412 0.700 5.165 1.00 0.00 C ATOM 1904 C GLY B 46 15.956 -0.581 4.463 1.00 0.00 C ATOM 1905 O GLY B 46 16.774 -1.334 3.972 1.00 0.00 O ATOM 0 H GLY B 46 14.627 1.723 4.615 1.00 0.00 H new ATOM 0 HA2 GLY B 46 17.470 0.869 4.965 1.00 0.00 H new ATOM 0 HA3 GLY B 46 16.307 0.582 6.243 1.00 0.00 H new ATOM 1909 N ARG B 47 14.679 -0.890 4.444 1.00 0.00 N ATOM 1910 CA ARG B 47 14.265 -2.146 3.827 1.00 0.00 C ATOM 1911 C ARG B 47 13.148 -1.886 2.806 1.00 0.00 C ATOM 1912 O ARG B 47 12.309 -1.028 2.983 1.00 0.00 O ATOM 1913 CB ARG B 47 13.876 -3.016 4.970 1.00 0.00 C ATOM 1914 CG ARG B 47 15.088 -3.216 5.879 1.00 0.00 C ATOM 1915 CD ARG B 47 14.628 -3.688 7.260 1.00 0.00 C ATOM 1916 NE ARG B 47 14.868 -2.609 8.260 1.00 0.00 N ATOM 1917 CZ ARG B 47 15.612 -2.846 9.306 1.00 0.00 C ATOM 1918 NH1 ARG B 47 15.275 -3.785 10.148 1.00 0.00 N ATOM 1919 NH2 ARG B 47 16.693 -2.144 9.510 1.00 0.00 N ATOM 0 H ARG B 47 13.928 -0.319 4.831 1.00 0.00 H new ATOM 0 HA ARG B 47 15.045 -2.638 3.246 1.00 0.00 H new ATOM 0 HB2 ARG B 47 13.058 -2.561 5.528 1.00 0.00 H new ATOM 0 HB3 ARG B 47 13.516 -3.978 4.605 1.00 0.00 H new ATOM 0 HG2 ARG B 47 15.765 -3.949 5.441 1.00 0.00 H new ATOM 0 HG3 ARG B 47 15.644 -2.283 5.970 1.00 0.00 H new ATOM 0 HD2 ARG B 47 13.569 -3.945 7.234 1.00 0.00 H new ATOM 0 HD3 ARG B 47 15.168 -4.590 7.546 1.00 0.00 H new ATOM 0 HE ARG B 47 14.452 -1.687 8.127 1.00 0.00 H new ATOM 0 HH11 ARG B 47 14.430 -4.334 9.989 1.00 0.00 H new ATOM 0 HH12 ARG B 47 15.857 -3.970 10.965 1.00 0.00 H new ATOM 0 HH21 ARG B 47 16.956 -1.410 8.852 1.00 0.00 H new ATOM 0 HH22 ARG B 47 17.275 -2.329 10.327 1.00 0.00 H new ATOM 1933 N GLU B 48 13.156 -2.569 1.697 1.00 0.00 N ATOM 1934 CA GLU B 48 12.111 -2.302 0.675 1.00 0.00 C ATOM 1935 C GLU B 48 11.877 -3.548 -0.179 1.00 0.00 C ATOM 1936 O GLU B 48 12.705 -3.922 -0.986 1.00 0.00 O ATOM 1937 CB GLU B 48 12.582 -1.168 -0.230 1.00 0.00 C ATOM 1938 CG GLU B 48 13.512 -0.236 0.547 1.00 0.00 C ATOM 1939 CD GLU B 48 13.886 0.962 -0.327 1.00 0.00 C ATOM 1940 OE1 GLU B 48 14.843 0.850 -1.075 1.00 0.00 O ATOM 1941 OE2 GLU B 48 13.208 1.972 -0.234 1.00 0.00 O ATOM 0 H GLU B 48 13.833 -3.293 1.456 1.00 0.00 H new ATOM 0 HA GLU B 48 11.182 -2.030 1.177 1.00 0.00 H new ATOM 0 HB2 GLU B 48 13.102 -1.575 -1.097 1.00 0.00 H new ATOM 0 HB3 GLU B 48 11.724 -0.610 -0.605 1.00 0.00 H new ATOM 0 HG2 GLU B 48 13.022 0.105 1.459 1.00 0.00 H new ATOM 0 HG3 GLU B 48 14.411 -0.773 0.850 1.00 0.00 H new ATOM 1948 N LEU B 49 10.768 -4.205 0.000 1.00 0.00 N ATOM 1949 CA LEU B 49 10.506 -5.440 -0.794 1.00 0.00 C ATOM 1950 C LEU B 49 9.021 -5.774 -0.712 1.00 0.00 C ATOM 1951 O LEU B 49 8.202 -4.894 -0.563 1.00 0.00 O ATOM 1952 CB LEU B 49 11.337 -6.598 -0.231 1.00 0.00 C ATOM 1953 CG LEU B 49 12.104 -7.276 -1.368 1.00 0.00 C ATOM 1954 CD1 LEU B 49 13.602 -7.016 -1.198 1.00 0.00 C ATOM 1955 CD2 LEU B 49 11.842 -8.783 -1.330 1.00 0.00 C ATOM 0 H LEU B 49 10.033 -3.944 0.658 1.00 0.00 H new ATOM 0 HA LEU B 49 10.786 -5.280 -1.835 1.00 0.00 H new ATOM 0 HB2 LEU B 49 12.033 -6.228 0.521 1.00 0.00 H new ATOM 0 HB3 LEU B 49 10.687 -7.319 0.264 1.00 0.00 H new ATOM 0 HG LEU B 49 11.771 -6.872 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU B 49 14.149 -7.499 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU B 49 13.790 -5.943 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU B 49 13.935 -7.421 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU B 49 12.388 -9.268 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU B 49 12.177 -9.186 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU B 49 10.775 -8.970 -1.449 1.00 0.00 H new ATOM 1967 N CYS B 50 8.659 -7.028 -0.791 1.00 0.00 N ATOM 1968 CA CYS B 50 7.213 -7.383 -0.706 1.00 0.00 C ATOM 1969 C CYS B 50 6.745 -7.354 0.757 1.00 0.00 C ATOM 1970 O CYS B 50 7.396 -6.796 1.616 1.00 0.00 O ATOM 1971 CB CYS B 50 6.983 -8.773 -1.302 1.00 0.00 C ATOM 1972 SG CYS B 50 8.022 -9.988 -0.453 1.00 0.00 S ATOM 0 H CYS B 50 9.297 -7.815 -0.910 1.00 0.00 H new ATOM 0 HA CYS B 50 6.636 -6.652 -1.273 1.00 0.00 H new ATOM 0 HB2 CYS B 50 5.933 -9.050 -1.207 1.00 0.00 H new ATOM 0 HB3 CYS B 50 7.215 -8.764 -2.367 1.00 0.00 H new ATOM 1977 N LEU B 51 5.603 -7.925 1.043 1.00 0.00 N ATOM 1978 CA LEU B 51 5.089 -7.904 2.447 1.00 0.00 C ATOM 1979 C LEU B 51 3.995 -8.969 2.628 1.00 0.00 C ATOM 1980 O LEU B 51 2.948 -8.929 1.992 1.00 0.00 O ATOM 1981 CB LEU B 51 4.498 -6.525 2.750 1.00 0.00 C ATOM 1982 CG LEU B 51 4.508 -6.288 4.261 1.00 0.00 C ATOM 1983 CD1 LEU B 51 5.948 -6.095 4.739 1.00 0.00 C ATOM 1984 CD2 LEU B 51 3.692 -5.034 4.584 1.00 0.00 C ATOM 0 H LEU B 51 5.006 -8.403 0.369 1.00 0.00 H new ATOM 0 HA LEU B 51 5.913 -8.116 3.128 1.00 0.00 H new ATOM 0 HB2 LEU B 51 5.076 -5.751 2.246 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.479 -6.462 2.368 1.00 0.00 H new ATOM 0 HG LEU B 51 4.070 -7.149 4.767 1.00 0.00 H new ATOM 0 HD11 LEU B 51 5.954 -5.926 5.816 1.00 0.00 H new ATOM 0 HD12 LEU B 51 6.531 -6.987 4.508 1.00 0.00 H new ATOM 0 HD13 LEU B 51 6.387 -5.234 4.234 1.00 0.00 H new ATOM 0 HD21 LEU B 51 3.698 -4.863 5.661 1.00 0.00 H new ATOM 0 HD22 LEU B 51 4.131 -4.174 4.078 1.00 0.00 H new ATOM 0 HD23 LEU B 51 2.665 -5.170 4.244 1.00 0.00 H new ATOM 1996 N ASP B 52 4.226 -9.914 3.499 1.00 0.00 N ATOM 1997 CA ASP B 52 3.214 -10.978 3.747 1.00 0.00 C ATOM 1998 C ASP B 52 3.489 -11.628 5.109 1.00 0.00 C ATOM 1999 O ASP B 52 3.691 -12.824 5.189 1.00 0.00 O ATOM 2000 CB ASP B 52 3.310 -12.040 2.650 1.00 0.00 C ATOM 2001 CG ASP B 52 2.134 -13.010 2.778 1.00 0.00 C ATOM 2002 OD1 ASP B 52 1.012 -12.540 2.876 1.00 0.00 O ATOM 2003 OD2 ASP B 52 2.375 -14.205 2.777 1.00 0.00 O ATOM 0 H ASP B 52 5.079 -9.994 4.053 1.00 0.00 H new ATOM 0 HA ASP B 52 2.215 -10.541 3.742 1.00 0.00 H new ATOM 0 HB2 ASP B 52 3.300 -11.567 1.668 1.00 0.00 H new ATOM 0 HB3 ASP B 52 4.253 -12.581 2.734 1.00 0.00 H new ATOM 2076 N VAL B 58 -4.741 -8.989 3.263 1.00 0.00 N ATOM 2077 CA VAL B 58 -4.642 -8.731 1.875 1.00 0.00 C ATOM 2078 C VAL B 58 -5.252 -9.905 1.123 1.00 0.00 C ATOM 2079 O VAL B 58 -5.776 -9.776 0.031 1.00 0.00 O ATOM 2080 CB VAL B 58 -3.171 -8.522 1.624 1.00 0.00 C ATOM 2081 CG1 VAL B 58 -2.552 -9.778 1.059 1.00 0.00 C ATOM 2082 CG2 VAL B 58 -2.969 -7.354 0.670 1.00 0.00 C ATOM 0 HA VAL B 58 -5.187 -7.852 1.530 1.00 0.00 H new ATOM 0 HB VAL B 58 -2.680 -8.292 2.570 1.00 0.00 H new ATOM 0 HG11 VAL B 58 -1.489 -9.612 0.883 1.00 0.00 H new ATOM 0 HG12 VAL B 58 -2.679 -10.597 1.767 1.00 0.00 H new ATOM 0 HG13 VAL B 58 -3.040 -10.033 0.118 1.00 0.00 H new ATOM 0 HG21 VAL B 58 -1.903 -7.209 0.493 1.00 0.00 H new ATOM 0 HG22 VAL B 58 -3.468 -7.566 -0.276 1.00 0.00 H new ATOM 0 HG23 VAL B 58 -3.391 -6.449 1.108 1.00 0.00 H new ATOM 2092 N LYS B 59 -5.212 -11.053 1.738 1.00 0.00 N ATOM 2093 CA LYS B 59 -5.807 -12.246 1.110 1.00 0.00 C ATOM 2094 C LYS B 59 -7.322 -12.098 1.164 1.00 0.00 C ATOM 2095 O LYS B 59 -8.046 -12.662 0.368 1.00 0.00 O ATOM 2096 CB LYS B 59 -5.374 -13.502 1.869 1.00 0.00 C ATOM 2097 CG LYS B 59 -5.767 -14.746 1.073 1.00 0.00 C ATOM 2098 CD LYS B 59 -4.816 -15.890 1.420 1.00 0.00 C ATOM 2099 CE LYS B 59 -3.967 -16.220 0.197 1.00 0.00 C ATOM 2100 NZ LYS B 59 -3.033 -17.335 0.522 1.00 0.00 N ATOM 0 H LYS B 59 -4.789 -11.209 2.653 1.00 0.00 H new ATOM 0 HA LYS B 59 -5.475 -12.339 0.076 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -4.296 -13.487 2.031 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -5.844 -13.524 2.852 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -6.794 -15.029 1.303 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -5.726 -14.536 0.004 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -4.177 -15.607 2.256 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -5.382 -16.768 1.733 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -4.608 -16.501 -0.638 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -3.404 -15.340 -0.116 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -2.455 -17.558 -0.313 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -2.412 -17.050 1.306 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -3.579 -18.175 0.800 1.00 0.00 H new