USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 946 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 19 LYS NZ :NH3+ 174:sc= 0.163 (180deg=0) USER MOD Set 1.2: B 62 TYR OH : rot 180:sc= 0.16 USER MOD Set 2.1: B 44 THR OG1 : rot 146:sc= 1.06 USER MOD Set 2.2: B 47 SER OG : rot -87:sc= 0.542! USER MOD Set 3.1: A 19 LYS NZ :NH3+ 173:sc= 0.167 (180deg=0) USER MOD Set 3.2: A 62 TYR OH : rot 180:sc= 0.162 USER MOD Set 4.1: A 44 THR OG1 : rot 146:sc= 1.12 USER MOD Set 4.2: A 47 SER OG : rot -80:sc= 0.324! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 171:sc= -0.462 USER MOD Single : A 14 SER OG : rot -96:sc= 1.83 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.31! USER MOD Single : A 23 ASN : amide:sc= -0.923 X(o=-0.92,f=-0.92) 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 44:sc= -1.13 USER MOD Single : A 32 SER OG : rot -120:sc= -0.281 USER MOD Single : A 33 SER OG : rot 180:sc= -0.135 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.973! K(o=-0.97!,f=0) USER MOD Single : A 43 GLN : amide:sc= -4.97! K(o=-5!,f=-3.1) USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -3.72! (180deg=-4.48!) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.107) USER MOD Single : A 49 GLN : amide:sc= -0.0643 X(o=-0.064,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00101 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 161:sc= -0.531 USER MOD Single : B 14 SER OG : rot -99:sc= 1.8 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.186! USER MOD Single : B 23 ASN : amide:sc= -0.984! C(o=-0.98!,f=-0.98!) 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 27:sc= -1.22! USER MOD Single : B 32 SER OG : rot -129:sc= -0.283 USER MOD Single : B 33 SER OG : rot 180:sc= -0.13 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= -0.984! K(o=-0.98!,f=0) USER MOD Single : B 43 GLN : amide:sc= -4.94! K(o=-4.9!,f=-3.2) USER MOD Single : B 45 LYS NZ :NH3+ 159:sc= -3.84! (180deg=-4.55!) USER MOD Single : B 48 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.114) USER MOD Single : B 49 GLN : amide:sc= -0.0474 X(o=-0.047,f=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0.00287 USER MOD Single : B 60 GLN : amide:sc= 0 X(o=0,f=-6.8e-05) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 5 -11.093 10.109 -3.978 1.00 0.00 N ATOM 52 CA SER A 5 -11.636 10.050 -2.587 1.00 0.00 C ATOM 53 C SER A 5 -10.526 9.680 -1.582 1.00 0.00 C ATOM 54 O SER A 5 -9.886 10.547 -1.021 1.00 0.00 O ATOM 55 CB SER A 5 -12.780 9.031 -2.549 1.00 0.00 C ATOM 56 OG SER A 5 -14.019 9.728 -2.528 1.00 0.00 O ATOM 0 HA SER A 5 -12.017 11.030 -2.299 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.731 8.377 -3.419 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.690 8.396 -1.667 1.00 0.00 H new ATOM 0 HG SER A 5 -14.757 9.083 -2.505 1.00 0.00 H new ATOM 62 N ASP A 6 -10.300 8.410 -1.327 1.00 0.00 N ATOM 63 CA ASP A 6 -9.239 8.036 -0.332 1.00 0.00 C ATOM 64 C ASP A 6 -8.754 6.599 -0.576 1.00 0.00 C ATOM 65 O ASP A 6 -9.108 5.707 0.171 1.00 0.00 O ATOM 66 CB ASP A 6 -9.813 8.121 1.090 1.00 0.00 C ATOM 67 CG ASP A 6 -10.550 9.448 1.274 1.00 0.00 C ATOM 68 OD1 ASP A 6 -11.731 9.496 0.965 1.00 0.00 O ATOM 69 OD2 ASP A 6 -9.923 10.395 1.720 1.00 0.00 O ATOM 0 H ASP A 6 -10.795 7.628 -1.756 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.403 8.726 -0.446 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.494 7.289 1.267 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.010 8.036 1.822 1.00 0.00 H new ATOM 74 N PRO A 7 -7.953 6.401 -1.600 1.00 0.00 N ATOM 75 CA PRO A 7 -7.429 5.057 -1.911 1.00 0.00 C ATOM 76 C PRO A 7 -6.515 4.582 -0.759 1.00 0.00 C ATOM 77 O PRO A 7 -6.153 5.369 0.092 1.00 0.00 O ATOM 78 CB PRO A 7 -6.642 5.235 -3.232 1.00 0.00 C ATOM 79 CG PRO A 7 -6.742 6.737 -3.638 1.00 0.00 C ATOM 80 CD PRO A 7 -7.518 7.471 -2.522 1.00 0.00 C ATOM 0 HA PRO A 7 -8.210 4.304 -2.019 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.600 4.942 -3.100 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.056 4.598 -4.014 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.748 7.168 -3.760 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.255 6.842 -4.594 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.886 8.199 -2.013 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.371 8.016 -2.926 1.00 0.00 H new ATOM 88 N PRO A 8 -6.163 3.310 -0.762 1.00 0.00 N ATOM 89 CA PRO A 8 -5.291 2.743 0.289 1.00 0.00 C ATOM 90 C PRO A 8 -3.931 3.457 0.289 1.00 0.00 C ATOM 91 O PRO A 8 -3.799 4.565 -0.193 1.00 0.00 O ATOM 92 CB PRO A 8 -5.142 1.246 -0.084 1.00 0.00 C ATOM 93 CG PRO A 8 -5.860 1.034 -1.448 1.00 0.00 C ATOM 94 CD PRO A 8 -6.599 2.344 -1.794 1.00 0.00 C ATOM 0 HA PRO A 8 -5.703 2.867 1.290 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.090 0.971 -0.157 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.584 0.613 0.685 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.138 0.784 -2.226 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.562 0.203 -1.386 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.341 2.691 -2.794 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.680 2.205 -1.774 1.00 0.00 H new ATOM 102 N THR A 9 -2.921 2.825 0.829 1.00 0.00 N ATOM 103 CA THR A 9 -1.571 3.456 0.865 1.00 0.00 C ATOM 104 C THR A 9 -0.498 2.369 0.904 1.00 0.00 C ATOM 105 O THR A 9 -0.511 1.497 1.748 1.00 0.00 O ATOM 106 CB THR A 9 -1.451 4.329 2.115 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.623 5.120 2.249 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.227 5.237 1.992 1.00 0.00 C ATOM 0 H THR A 9 -2.975 1.896 1.247 1.00 0.00 H new ATOM 0 HA THR A 9 -1.435 4.070 -0.026 1.00 0.00 H new ATOM 0 HB THR A 9 -1.338 3.694 2.994 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.619 5.565 3.122 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.144 5.858 2.884 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.670 4.626 1.890 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.334 5.875 1.114 1.00 0.00 H new ATOM 116 N ALA A 10 0.431 2.421 -0.007 1.00 0.00 N ATOM 117 CA ALA A 10 1.511 1.400 -0.035 1.00 0.00 C ATOM 118 C ALA A 10 2.426 1.584 1.176 1.00 0.00 C ATOM 119 O ALA A 10 3.472 2.197 1.085 1.00 0.00 O ATOM 120 CB ALA A 10 2.323 1.570 -1.318 1.00 0.00 C ATOM 0 H ALA A 10 0.488 3.131 -0.737 1.00 0.00 H new ATOM 0 HA ALA A 10 1.073 0.402 -0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.118 0.825 -1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.671 1.439 -2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.760 2.568 -1.342 1.00 0.00 H new ATOM 126 N CYS A 11 2.045 1.047 2.308 1.00 0.00 N ATOM 127 CA CYS A 11 2.888 1.171 3.538 1.00 0.00 C ATOM 128 C CYS A 11 3.503 -0.194 3.851 1.00 0.00 C ATOM 129 O CYS A 11 2.869 -1.220 3.695 1.00 0.00 O ATOM 130 CB CYS A 11 2.014 1.620 4.713 1.00 0.00 C ATOM 131 SG CYS A 11 1.189 3.178 4.292 1.00 0.00 S ATOM 0 H CYS A 11 1.179 0.523 2.434 1.00 0.00 H new ATOM 0 HA CYS A 11 3.677 1.906 3.377 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.273 0.854 4.942 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.625 1.750 5.606 1.00 0.00 H new ATOM 136 N CYS A 12 4.735 -0.219 4.277 1.00 0.00 N ATOM 137 CA CYS A 12 5.387 -1.524 4.585 1.00 0.00 C ATOM 138 C CYS A 12 4.873 -2.053 5.925 1.00 0.00 C ATOM 139 O CYS A 12 4.665 -1.306 6.860 1.00 0.00 O ATOM 140 CB CYS A 12 6.904 -1.331 4.661 1.00 0.00 C ATOM 141 SG CYS A 12 7.528 -0.801 3.046 1.00 0.00 S ATOM 0 H CYS A 12 5.318 0.605 4.425 1.00 0.00 H new ATOM 0 HA CYS A 12 5.149 -2.241 3.799 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.149 -0.587 5.419 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.385 -2.262 4.961 1.00 0.00 H new ATOM 146 N PHE A 13 4.676 -3.343 6.024 1.00 0.00 N ATOM 147 CA PHE A 13 4.183 -3.946 7.302 1.00 0.00 C ATOM 148 C PHE A 13 5.366 -4.598 8.019 1.00 0.00 C ATOM 149 O PHE A 13 5.330 -4.852 9.207 1.00 0.00 O ATOM 150 CB PHE A 13 3.127 -5.010 6.986 1.00 0.00 C ATOM 151 CG PHE A 13 3.777 -6.164 6.258 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.080 -6.049 4.890 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.086 -7.349 6.953 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.693 -7.120 4.214 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.699 -8.421 6.277 1.00 0.00 C ATOM 156 CZ PHE A 13 5.003 -8.307 4.907 1.00 0.00 C ATOM 0 H PHE A 13 4.836 -4.010 5.269 1.00 0.00 H new ATOM 0 HA PHE A 13 3.740 -3.177 7.935 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.663 -5.362 7.907 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.334 -4.580 6.374 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.842 -5.139 4.358 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.853 -7.435 8.004 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.926 -7.032 3.163 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.936 -9.330 6.809 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.473 -9.129 4.388 1.00 0.00 H new ATOM 166 N SER A 14 6.417 -4.869 7.294 1.00 0.00 N ATOM 167 CA SER A 14 7.618 -5.501 7.901 1.00 0.00 C ATOM 168 C SER A 14 8.834 -5.167 7.038 1.00 0.00 C ATOM 169 O SER A 14 8.871 -4.147 6.379 1.00 0.00 O ATOM 170 CB SER A 14 7.428 -7.018 7.956 1.00 0.00 C ATOM 171 OG SER A 14 7.553 -7.553 6.645 1.00 0.00 O ATOM 0 H SER A 14 6.493 -4.676 6.295 1.00 0.00 H new ATOM 0 HA SER A 14 7.765 -5.125 8.913 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.170 -7.466 8.617 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.448 -7.259 8.368 1.00 0.00 H new ATOM 0 HG SER A 14 6.663 -7.662 6.250 1.00 0.00 H new ATOM 177 N TYR A 15 9.832 -6.010 7.028 1.00 0.00 N ATOM 178 CA TYR A 15 11.039 -5.720 6.197 1.00 0.00 C ATOM 179 C TYR A 15 11.749 -7.026 5.844 1.00 0.00 C ATOM 180 O TYR A 15 11.530 -8.052 6.455 1.00 0.00 O ATOM 181 CB TYR A 15 12.000 -4.816 6.982 1.00 0.00 C ATOM 182 CG TYR A 15 11.221 -3.748 7.711 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.854 -2.563 7.045 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.860 -3.939 9.059 1.00 0.00 C ATOM 185 CE1 TYR A 15 10.127 -1.569 7.728 1.00 0.00 C ATOM 186 CE2 TYR A 15 10.133 -2.945 9.741 1.00 0.00 C ATOM 187 CZ TYR A 15 9.767 -1.760 9.076 1.00 0.00 C ATOM 188 OH TYR A 15 9.054 -0.784 9.744 1.00 0.00 O ATOM 0 H TYR A 15 9.865 -6.882 7.556 1.00 0.00 H new ATOM 0 HA TYR A 15 10.730 -5.216 5.281 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.573 -5.411 7.694 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.717 -4.355 6.302 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.130 -2.416 6.011 1.00 0.00 H new ATOM 0 HD2 TYR A 15 11.141 -4.848 9.570 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.845 -0.660 7.218 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.856 -3.092 10.775 1.00 0.00 H new ATOM 0 HH TYR A 15 8.886 -1.074 10.665 1.00 0.00 H new ATOM 198 N THR A 16 12.607 -6.988 4.862 1.00 0.00 N ATOM 199 CA THR A 16 13.342 -8.223 4.470 1.00 0.00 C ATOM 200 C THR A 16 14.166 -8.714 5.663 1.00 0.00 C ATOM 201 O THR A 16 13.974 -8.278 6.780 1.00 0.00 O ATOM 202 CB THR A 16 14.257 -7.917 3.277 1.00 0.00 C ATOM 203 OG1 THR A 16 15.147 -9.002 3.064 1.00 0.00 O ATOM 204 CG2 THR A 16 15.059 -6.644 3.550 1.00 0.00 C ATOM 0 H THR A 16 12.831 -6.157 4.315 1.00 0.00 H new ATOM 0 HA THR A 16 12.637 -9.001 4.179 1.00 0.00 H new ATOM 0 HB THR A 16 13.644 -7.772 2.387 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.728 -8.803 2.300 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.707 -6.432 2.699 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.375 -5.809 3.702 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.668 -6.782 4.444 1.00 0.00 H new ATOM 212 N ALA A 17 15.082 -9.618 5.437 1.00 0.00 N ATOM 213 CA ALA A 17 15.924 -10.144 6.554 1.00 0.00 C ATOM 214 C ALA A 17 17.351 -10.325 6.045 1.00 0.00 C ATOM 215 O ALA A 17 18.169 -10.975 6.667 1.00 0.00 O ATOM 216 CB ALA A 17 15.371 -11.495 7.011 1.00 0.00 C ATOM 0 H ALA A 17 15.285 -10.018 4.521 1.00 0.00 H new ATOM 0 HA ALA A 17 15.913 -9.448 7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.983 -11.882 7.826 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.344 -11.370 7.356 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.391 -12.197 6.177 1.00 0.00 H new ATOM 222 N ARG A 18 17.655 -9.748 4.912 1.00 0.00 N ATOM 223 CA ARG A 18 19.026 -9.871 4.337 1.00 0.00 C ATOM 224 C ARG A 18 19.426 -8.533 3.706 1.00 0.00 C ATOM 225 O ARG A 18 18.728 -7.999 2.867 1.00 0.00 O ATOM 226 CB ARG A 18 19.025 -10.963 3.264 1.00 0.00 C ATOM 227 CG ARG A 18 19.078 -12.343 3.934 1.00 0.00 C ATOM 228 CD ARG A 18 18.644 -13.415 2.937 1.00 0.00 C ATOM 229 NE ARG A 18 19.067 -14.756 3.431 1.00 0.00 N ATOM 230 CZ ARG A 18 18.551 -15.835 2.910 1.00 0.00 C ATOM 231 NH1 ARG A 18 17.662 -15.740 1.959 1.00 0.00 N ATOM 232 NH2 ARG A 18 18.922 -17.009 3.342 1.00 0.00 N ATOM 0 H ARG A 18 17.006 -9.192 4.356 1.00 0.00 H new ATOM 0 HA ARG A 18 19.736 -10.132 5.121 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.130 -10.881 2.648 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.881 -10.836 2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.089 -12.548 4.287 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.426 -12.359 4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.562 -13.389 2.807 1.00 0.00 H new ATOM 0 HD3 ARG A 18 19.087 -13.219 1.961 1.00 0.00 H new ATOM 0 HE ARG A 18 19.760 -14.830 4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.371 -14.822 1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 18 17.259 -16.584 1.552 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.615 -17.083 4.087 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.519 -17.853 2.935 1.00 0.00 H new ATOM 246 N LYS A 19 20.543 -7.991 4.102 1.00 0.00 N ATOM 247 CA LYS A 19 20.985 -6.691 3.525 1.00 0.00 C ATOM 248 C LYS A 19 21.251 -6.879 2.028 1.00 0.00 C ATOM 249 O LYS A 19 22.035 -7.716 1.627 1.00 0.00 O ATOM 250 CB LYS A 19 22.265 -6.235 4.244 1.00 0.00 C ATOM 251 CG LYS A 19 22.646 -4.785 3.848 1.00 0.00 C ATOM 252 CD LYS A 19 23.820 -4.766 2.856 1.00 0.00 C ATOM 253 CE LYS A 19 25.144 -4.958 3.606 1.00 0.00 C ATOM 254 NZ LYS A 19 26.193 -5.414 2.649 1.00 0.00 N ATOM 0 H LYS A 19 21.169 -8.392 4.800 1.00 0.00 H new ATOM 0 HA LYS A 19 20.214 -5.932 3.658 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.120 -6.294 5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 19 23.084 -6.910 3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 19 21.783 -4.289 3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.913 -4.220 4.741 1.00 0.00 H new ATOM 0 HD2 LYS A 19 23.694 -5.556 2.116 1.00 0.00 H new ATOM 0 HD3 LYS A 19 23.833 -3.820 2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 19 25.447 -4.023 4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 19 25.020 -5.691 4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 27.116 -5.431 3.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 25.961 -6.369 2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 26.234 -4.760 1.841 1.00 0.00 H new ATOM 268 N LEU A 20 20.585 -6.122 1.197 1.00 0.00 N ATOM 269 CA LEU A 20 20.780 -6.274 -0.274 1.00 0.00 C ATOM 270 C LEU A 20 22.162 -5.719 -0.690 1.00 0.00 C ATOM 271 O LEU A 20 22.393 -4.537 -0.529 1.00 0.00 O ATOM 272 CB LEU A 20 19.704 -5.468 -1.012 1.00 0.00 C ATOM 273 CG LEU A 20 18.343 -5.666 -0.347 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.277 -4.949 -1.175 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.009 -7.159 -0.279 1.00 0.00 C ATOM 0 H LEU A 20 19.914 -5.405 1.474 1.00 0.00 H new ATOM 0 HA LEU A 20 20.714 -7.332 -0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.967 -4.410 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.656 -5.782 -2.055 1.00 0.00 H new ATOM 0 HG LEU A 20 18.370 -5.258 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.301 -5.085 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.510 -3.885 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.258 -5.365 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.037 -7.293 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.980 -7.572 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.772 -7.676 0.303 1.00 0.00 H new ATOM 287 N PRO A 21 23.047 -6.542 -1.235 1.00 0.00 N ATOM 288 CA PRO A 21 24.363 -6.039 -1.673 1.00 0.00 C ATOM 289 C PRO A 21 24.163 -4.911 -2.689 1.00 0.00 C ATOM 290 O PRO A 21 23.211 -4.910 -3.440 1.00 0.00 O ATOM 291 CB PRO A 21 25.058 -7.253 -2.330 1.00 0.00 C ATOM 292 CG PRO A 21 24.171 -8.499 -2.055 1.00 0.00 C ATOM 293 CD PRO A 21 22.840 -7.994 -1.457 1.00 0.00 C ATOM 0 HA PRO A 21 24.957 -5.635 -0.853 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.176 -7.094 -3.402 1.00 0.00 H new ATOM 0 HB3 PRO A 21 26.057 -7.394 -1.917 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.992 -9.054 -2.976 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.669 -9.180 -1.364 1.00 0.00 H new ATOM 0 HD2 PRO A 21 22.008 -8.175 -2.137 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.606 -8.507 -0.524 1.00 0.00 H new ATOM 301 N ARG A 22 25.055 -3.962 -2.733 1.00 0.00 N ATOM 302 CA ARG A 22 24.907 -2.863 -3.724 1.00 0.00 C ATOM 303 C ARG A 22 24.681 -3.475 -5.109 1.00 0.00 C ATOM 304 O ARG A 22 24.018 -2.908 -5.954 1.00 0.00 O ATOM 305 CB ARG A 22 26.171 -2.010 -3.743 1.00 0.00 C ATOM 306 CG ARG A 22 25.952 -0.811 -4.673 1.00 0.00 C ATOM 307 CD ARG A 22 27.153 0.153 -4.605 1.00 0.00 C ATOM 308 NE ARG A 22 26.666 1.570 -4.593 1.00 0.00 N ATOM 309 CZ ARG A 22 25.756 1.983 -5.439 1.00 0.00 C ATOM 310 NH1 ARG A 22 25.354 1.210 -6.410 1.00 0.00 N ATOM 311 NH2 ARG A 22 25.281 3.194 -5.337 1.00 0.00 N ATOM 0 H ARG A 22 25.875 -3.900 -2.129 1.00 0.00 H new ATOM 0 HA ARG A 22 24.059 -2.234 -3.452 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.408 -1.667 -2.736 1.00 0.00 H new ATOM 0 HB3 ARG A 22 27.019 -2.602 -4.086 1.00 0.00 H new ATOM 0 HG2 ARG A 22 25.815 -1.158 -5.697 1.00 0.00 H new ATOM 0 HG3 ARG A 22 25.040 -0.285 -4.390 1.00 0.00 H new ATOM 0 HD2 ARG A 22 27.741 -0.047 -3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 22 27.810 -0.008 -5.460 1.00 0.00 H new ATOM 0 HE ARG A 22 27.051 2.225 -3.913 1.00 0.00 H new ATOM 0 HH11 ARG A 22 25.749 0.275 -6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 22 24.645 1.540 -7.064 1.00 0.00 H new ATOM 0 HH21 ARG A 22 25.619 3.814 -4.601 1.00 0.00 H new ATOM 0 HH22 ARG A 22 24.572 3.521 -5.993 1.00 0.00 H new ATOM 325 N ASN A 23 25.235 -4.637 -5.341 1.00 0.00 N ATOM 326 CA ASN A 23 25.064 -5.301 -6.666 1.00 0.00 C ATOM 327 C ASN A 23 23.627 -5.812 -6.812 1.00 0.00 C ATOM 328 O ASN A 23 23.316 -6.557 -7.720 1.00 0.00 O ATOM 329 CB ASN A 23 26.034 -6.480 -6.773 1.00 0.00 C ATOM 330 CG ASN A 23 25.844 -7.176 -8.121 1.00 0.00 C ATOM 331 OD1 ASN A 23 25.587 -8.363 -8.174 1.00 0.00 O ATOM 332 ND2 ASN A 23 25.960 -6.485 -9.221 1.00 0.00 N ATOM 0 H ASN A 23 25.800 -5.155 -4.668 1.00 0.00 H new ATOM 0 HA ASN A 23 25.271 -4.580 -7.457 1.00 0.00 H new ATOM 0 HB2 ASN A 23 27.061 -6.130 -6.674 1.00 0.00 H new ATOM 0 HB3 ASN A 23 25.858 -7.184 -5.960 1.00 0.00 H new ATOM 0 HD21 ASN A 23 25.835 -6.941 -10.125 1.00 0.00 H new ATOM 0 HD22 ASN A 23 26.176 -5.489 -9.177 1.00 0.00 H new ATOM 339 N PHE A 24 22.751 -5.426 -5.920 1.00 0.00 N ATOM 340 CA PHE A 24 21.328 -5.896 -5.997 1.00 0.00 C ATOM 341 C PHE A 24 20.396 -4.722 -5.682 1.00 0.00 C ATOM 342 O PHE A 24 19.305 -4.900 -5.177 1.00 0.00 O ATOM 343 CB PHE A 24 21.120 -7.020 -4.966 1.00 0.00 C ATOM 344 CG PHE A 24 19.920 -7.871 -5.334 1.00 0.00 C ATOM 345 CD1 PHE A 24 19.900 -8.575 -6.558 1.00 0.00 C ATOM 346 CD2 PHE A 24 18.827 -7.972 -4.449 1.00 0.00 C ATOM 347 CE1 PHE A 24 18.791 -9.373 -6.892 1.00 0.00 C ATOM 348 CE2 PHE A 24 17.717 -8.771 -4.788 1.00 0.00 C ATOM 349 CZ PHE A 24 17.700 -9.472 -6.008 1.00 0.00 C ATOM 0 H PHE A 24 22.957 -4.804 -5.138 1.00 0.00 H new ATOM 0 HA PHE A 24 21.107 -6.273 -6.996 1.00 0.00 H new ATOM 0 HB2 PHE A 24 22.013 -7.644 -4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 24 20.976 -6.589 -3.975 1.00 0.00 H new ATOM 0 HD1 PHE A 24 20.736 -8.501 -7.238 1.00 0.00 H new ATOM 0 HD2 PHE A 24 18.841 -7.437 -3.511 1.00 0.00 H new ATOM 0 HE1 PHE A 24 18.776 -9.911 -7.828 1.00 0.00 H new ATOM 0 HE2 PHE A 24 16.879 -8.845 -4.111 1.00 0.00 H new ATOM 0 HZ PHE A 24 16.850 -10.086 -6.266 1.00 0.00 H new ATOM 359 N VAL A 25 20.822 -3.522 -5.979 1.00 0.00 N ATOM 360 CA VAL A 25 19.973 -2.325 -5.703 1.00 0.00 C ATOM 361 C VAL A 25 20.285 -1.244 -6.740 1.00 0.00 C ATOM 362 O VAL A 25 21.168 -0.429 -6.554 1.00 0.00 O ATOM 363 CB VAL A 25 20.283 -1.787 -4.304 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.361 -0.609 -3.990 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.060 -2.890 -3.266 1.00 0.00 C ATOM 0 H VAL A 25 21.727 -3.319 -6.403 1.00 0.00 H new ATOM 0 HA VAL A 25 18.920 -2.602 -5.759 1.00 0.00 H new ATOM 0 HB VAL A 25 21.322 -1.458 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.584 -0.228 -2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.518 0.181 -4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.323 -0.939 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.282 -2.504 -2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 25 19.022 -3.221 -3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 25 20.717 -3.732 -3.483 1.00 0.00 H new ATOM 375 N VAL A 26 19.575 -1.233 -7.836 1.00 0.00 N ATOM 376 CA VAL A 26 19.833 -0.213 -8.889 1.00 0.00 C ATOM 377 C VAL A 26 19.069 1.068 -8.565 1.00 0.00 C ATOM 378 O VAL A 26 19.297 2.103 -9.160 1.00 0.00 O ATOM 379 CB VAL A 26 19.365 -0.759 -10.237 1.00 0.00 C ATOM 380 CG1 VAL A 26 20.023 -2.114 -10.492 1.00 0.00 C ATOM 381 CG2 VAL A 26 17.844 -0.929 -10.221 1.00 0.00 C ATOM 0 H VAL A 26 18.824 -1.890 -8.047 1.00 0.00 H new ATOM 0 HA VAL A 26 20.900 0.008 -8.930 1.00 0.00 H new ATOM 0 HB VAL A 26 19.644 -0.062 -11.027 1.00 0.00 H new ATOM 0 HG11 VAL A 26 19.690 -2.505 -11.453 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.107 -1.996 -10.504 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.743 -2.809 -9.701 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.511 -1.319 -11.183 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.564 -1.626 -9.431 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.372 0.036 -10.037 1.00 0.00 H new ATOM 391 N ASP A 27 18.162 1.013 -7.632 1.00 0.00 N ATOM 392 CA ASP A 27 17.391 2.238 -7.285 1.00 0.00 C ATOM 393 C ASP A 27 16.583 1.982 -6.018 1.00 0.00 C ATOM 394 O ASP A 27 16.729 0.961 -5.375 1.00 0.00 O ATOM 395 CB ASP A 27 16.441 2.583 -8.435 1.00 0.00 C ATOM 396 CG ASP A 27 15.895 3.997 -8.239 1.00 0.00 C ATOM 397 OD1 ASP A 27 16.696 4.915 -8.158 1.00 0.00 O ATOM 398 OD2 ASP A 27 14.685 4.141 -8.173 1.00 0.00 O ATOM 0 H ASP A 27 17.922 0.178 -7.097 1.00 0.00 H new ATOM 0 HA ASP A 27 18.077 3.068 -7.119 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.966 2.513 -9.388 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.620 1.867 -8.470 1.00 0.00 H new ATOM 403 N TYR A 28 15.730 2.897 -5.649 1.00 0.00 N ATOM 404 CA TYR A 28 14.916 2.691 -4.421 1.00 0.00 C ATOM 405 C TYR A 28 13.640 3.522 -4.491 1.00 0.00 C ATOM 406 O TYR A 28 13.355 4.180 -5.471 1.00 0.00 O ATOM 407 CB TYR A 28 15.728 3.075 -3.178 1.00 0.00 C ATOM 408 CG TYR A 28 15.862 4.582 -3.065 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.552 5.308 -4.056 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.306 5.258 -1.959 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.684 6.705 -3.942 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.438 6.653 -1.844 1.00 0.00 C ATOM 413 CZ TYR A 28 16.128 7.378 -2.836 1.00 0.00 C ATOM 414 OH TYR A 28 16.259 8.747 -2.724 1.00 0.00 O ATOM 0 H TYR A 28 15.563 3.774 -6.142 1.00 0.00 H new ATOM 0 HA TYR A 28 14.646 1.637 -4.352 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.243 2.681 -2.285 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.717 2.620 -3.230 1.00 0.00 H new ATOM 0 HD1 TYR A 28 16.980 4.793 -4.903 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.777 4.703 -1.198 1.00 0.00 H new ATOM 0 HE1 TYR A 28 17.212 7.261 -4.703 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.011 7.168 -0.996 1.00 0.00 H new ATOM 0 HH TYR A 28 15.818 9.052 -1.904 1.00 0.00 H new ATOM 424 N TYR A 29 12.867 3.473 -3.450 1.00 0.00 N ATOM 425 CA TYR A 29 11.591 4.225 -3.416 1.00 0.00 C ATOM 426 C TYR A 29 11.156 4.357 -1.952 1.00 0.00 C ATOM 427 O TYR A 29 11.243 3.419 -1.191 1.00 0.00 O ATOM 428 CB TYR A 29 10.552 3.439 -4.235 1.00 0.00 C ATOM 429 CG TYR A 29 9.149 3.851 -3.858 1.00 0.00 C ATOM 430 CD1 TYR A 29 8.667 5.118 -4.231 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.326 2.966 -3.134 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.360 5.505 -3.878 1.00 0.00 C ATOM 433 CE2 TYR A 29 7.019 3.351 -2.782 1.00 0.00 C ATOM 434 CZ TYR A 29 6.535 4.621 -3.153 1.00 0.00 C ATOM 435 OH TYR A 29 5.254 5.000 -2.807 1.00 0.00 O ATOM 0 H TYR A 29 13.069 2.935 -2.608 1.00 0.00 H new ATOM 0 HA TYR A 29 11.695 5.222 -3.844 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.714 3.613 -5.299 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.680 2.370 -4.064 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.299 5.794 -4.788 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.698 1.993 -2.849 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.990 6.479 -4.163 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.387 2.673 -2.228 1.00 0.00 H new ATOM 0 HH TYR A 29 4.821 4.274 -2.311 1.00 0.00 H new ATOM 445 N GLU A 30 10.696 5.508 -1.542 1.00 0.00 N ATOM 446 CA GLU A 30 10.264 5.673 -0.119 1.00 0.00 C ATOM 447 C GLU A 30 8.762 5.392 -0.011 1.00 0.00 C ATOM 448 O GLU A 30 8.027 5.508 -0.971 1.00 0.00 O ATOM 449 CB GLU A 30 10.557 7.102 0.343 1.00 0.00 C ATOM 450 CG GLU A 30 12.051 7.252 0.638 1.00 0.00 C ATOM 451 CD GLU A 30 12.333 8.673 1.132 1.00 0.00 C ATOM 452 OE1 GLU A 30 11.620 9.125 2.014 1.00 0.00 O ATOM 453 OE2 GLU A 30 13.256 9.284 0.622 1.00 0.00 O ATOM 0 H GLU A 30 10.600 6.339 -2.125 1.00 0.00 H new ATOM 0 HA GLU A 30 10.811 4.973 0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.255 7.812 -0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.975 7.333 1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.359 6.526 1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.633 7.046 -0.260 1.00 0.00 H new ATOM 460 N THR A 31 8.305 5.015 1.151 1.00 0.00 N ATOM 461 CA THR A 31 6.853 4.714 1.330 1.00 0.00 C ATOM 462 C THR A 31 6.039 6.008 1.320 1.00 0.00 C ATOM 463 O THR A 31 6.520 7.057 0.940 1.00 0.00 O ATOM 464 CB THR A 31 6.650 4.005 2.669 1.00 0.00 C ATOM 465 OG1 THR A 31 7.372 4.700 3.668 1.00 0.00 O ATOM 466 CG2 THR A 31 7.155 2.564 2.567 1.00 0.00 C ATOM 0 H THR A 31 8.876 4.901 1.989 1.00 0.00 H new ATOM 0 HA THR A 31 6.518 4.076 0.512 1.00 0.00 H new ATOM 0 HB THR A 31 5.591 3.990 2.927 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.235 5.664 3.559 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.010 2.059 3.522 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.600 2.038 1.790 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.216 2.567 2.316 1.00 0.00 H new ATOM 474 N SER A 32 4.807 5.932 1.741 1.00 0.00 N ATOM 475 CA SER A 32 3.941 7.142 1.768 1.00 0.00 C ATOM 476 C SER A 32 4.177 7.914 3.066 1.00 0.00 C ATOM 477 O SER A 32 5.266 7.934 3.605 1.00 0.00 O ATOM 478 CB SER A 32 2.477 6.712 1.698 1.00 0.00 C ATOM 479 OG SER A 32 2.285 5.882 0.560 1.00 0.00 O ATOM 0 H SER A 32 4.360 5.076 2.070 1.00 0.00 H new ATOM 0 HA SER A 32 4.182 7.780 0.918 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.200 6.175 2.605 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.831 7.588 1.637 1.00 0.00 H new ATOM 0 HG SER A 32 1.624 6.292 -0.036 1.00 0.00 H new ATOM 485 N SER A 33 3.155 8.549 3.569 1.00 0.00 N ATOM 486 CA SER A 33 3.286 9.331 4.835 1.00 0.00 C ATOM 487 C SER A 33 2.029 9.123 5.673 1.00 0.00 C ATOM 488 O SER A 33 2.075 9.061 6.885 1.00 0.00 O ATOM 489 CB SER A 33 3.415 10.811 4.496 1.00 0.00 C ATOM 490 OG SER A 33 2.123 11.349 4.247 1.00 0.00 O ATOM 0 H SER A 33 2.223 8.561 3.154 1.00 0.00 H new ATOM 0 HA SER A 33 4.165 9.000 5.388 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.892 11.344 5.319 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.051 10.941 3.621 1.00 0.00 H new ATOM 0 HG SER A 33 2.201 12.301 4.030 1.00 0.00 H new ATOM 496 N LEU A 34 0.904 9.022 5.017 1.00 0.00 N ATOM 497 CA LEU A 34 -0.392 8.821 5.731 1.00 0.00 C ATOM 498 C LEU A 34 -0.210 7.842 6.893 1.00 0.00 C ATOM 499 O LEU A 34 -0.502 8.149 8.031 1.00 0.00 O ATOM 500 CB LEU A 34 -1.425 8.247 4.759 1.00 0.00 C ATOM 501 CG LEU A 34 -1.340 8.969 3.413 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.500 8.515 2.523 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.426 10.483 3.635 1.00 0.00 C ATOM 0 H LEU A 34 0.827 9.071 4.001 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.732 9.782 6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.251 7.180 4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.427 8.355 5.175 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.393 8.730 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.444 9.027 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.437 7.438 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.446 8.756 3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.365 10.996 2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.373 10.727 4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.601 10.805 4.271 1.00 0.00 H new ATOM 515 N CYS A 35 0.268 6.666 6.608 1.00 0.00 N ATOM 516 CA CYS A 35 0.464 5.665 7.691 1.00 0.00 C ATOM 517 C CYS A 35 1.615 6.123 8.593 1.00 0.00 C ATOM 518 O CYS A 35 2.677 6.479 8.131 1.00 0.00 O ATOM 519 CB CYS A 35 0.783 4.297 7.075 1.00 0.00 C ATOM 520 SG CYS A 35 1.883 4.503 5.652 1.00 0.00 S ATOM 0 H CYS A 35 0.531 6.354 5.673 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.445 5.577 8.286 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.253 3.654 7.819 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.139 3.804 6.765 1.00 0.00 H new ATOM 525 N SER A 36 1.397 6.139 9.877 1.00 0.00 N ATOM 526 CA SER A 36 2.462 6.589 10.823 1.00 0.00 C ATOM 527 C SER A 36 3.653 5.617 10.829 1.00 0.00 C ATOM 528 O SER A 36 4.296 5.442 11.844 1.00 0.00 O ATOM 529 CB SER A 36 1.876 6.673 12.232 1.00 0.00 C ATOM 530 OG SER A 36 0.926 7.730 12.285 1.00 0.00 O ATOM 0 H SER A 36 0.521 5.858 10.318 1.00 0.00 H new ATOM 0 HA SER A 36 2.820 7.566 10.498 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.401 5.728 12.497 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.670 6.846 12.959 1.00 0.00 H new ATOM 0 HG SER A 36 0.548 7.785 13.187 1.00 0.00 H new ATOM 536 N GLN A 37 3.966 4.976 9.728 1.00 0.00 N ATOM 537 CA GLN A 37 5.125 4.029 9.744 1.00 0.00 C ATOM 538 C GLN A 37 5.733 3.876 8.340 1.00 0.00 C ATOM 539 O GLN A 37 5.690 2.801 7.778 1.00 0.00 O ATOM 540 CB GLN A 37 4.647 2.660 10.238 1.00 0.00 C ATOM 541 CG GLN A 37 3.354 2.275 9.516 1.00 0.00 C ATOM 542 CD GLN A 37 3.056 0.794 9.756 1.00 0.00 C ATOM 543 OE1 GLN A 37 2.245 0.206 9.067 1.00 0.00 O ATOM 544 NE2 GLN A 37 3.682 0.162 10.710 1.00 0.00 N ATOM 0 H GLN A 37 3.480 5.064 8.836 1.00 0.00 H new ATOM 0 HA GLN A 37 5.890 4.428 10.410 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.415 1.908 10.055 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.479 2.689 11.315 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.527 2.886 9.878 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.450 2.469 8.448 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.362 0.656 11.288 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.491 -0.826 10.878 1.00 0.00 H new ATOM 553 N PRO A 38 6.308 4.938 7.818 1.00 0.00 N ATOM 554 CA PRO A 38 6.947 4.894 6.488 1.00 0.00 C ATOM 555 C PRO A 38 8.197 4.003 6.562 1.00 0.00 C ATOM 556 O PRO A 38 8.521 3.450 7.594 1.00 0.00 O ATOM 557 CB PRO A 38 7.326 6.363 6.183 1.00 0.00 C ATOM 558 CG PRO A 38 7.043 7.194 7.470 1.00 0.00 C ATOM 559 CD PRO A 38 6.362 6.255 8.491 1.00 0.00 C ATOM 0 HA PRO A 38 6.302 4.482 5.712 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.376 6.438 5.901 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.743 6.744 5.344 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.970 7.596 7.878 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.400 8.044 7.243 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.931 6.202 9.419 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.364 6.609 8.749 1.00 0.00 H new ATOM 567 N ALA A 39 8.896 3.873 5.475 1.00 0.00 N ATOM 568 CA ALA A 39 10.123 3.039 5.451 1.00 0.00 C ATOM 569 C ALA A 39 10.804 3.247 4.101 1.00 0.00 C ATOM 570 O ALA A 39 10.231 3.832 3.203 1.00 0.00 O ATOM 571 CB ALA A 39 9.749 1.565 5.618 1.00 0.00 C ATOM 0 H ALA A 39 8.665 4.317 4.586 1.00 0.00 H new ATOM 0 HA ALA A 39 10.792 3.323 6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.653 0.956 5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.236 1.425 6.570 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.091 1.262 4.804 1.00 0.00 H new ATOM 577 N VAL A 40 12.003 2.761 3.930 1.00 0.00 N ATOM 578 CA VAL A 40 12.690 2.921 2.612 1.00 0.00 C ATOM 579 C VAL A 40 12.505 1.626 1.832 1.00 0.00 C ATOM 580 O VAL A 40 12.618 0.544 2.373 1.00 0.00 O ATOM 581 CB VAL A 40 14.184 3.196 2.826 1.00 0.00 C ATOM 582 CG1 VAL A 40 14.953 2.959 1.521 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.366 4.652 3.250 1.00 0.00 C ATOM 0 H VAL A 40 12.537 2.262 4.641 1.00 0.00 H new ATOM 0 HA VAL A 40 12.266 3.761 2.062 1.00 0.00 H new ATOM 0 HB VAL A 40 14.566 2.526 3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 40 16.013 3.157 1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.821 1.925 1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.573 3.627 0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.425 4.856 3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.980 5.309 2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.823 4.831 4.178 1.00 0.00 H new ATOM 593 N VAL A 41 12.206 1.736 0.566 1.00 0.00 N ATOM 594 CA VAL A 41 11.991 0.518 -0.277 1.00 0.00 C ATOM 595 C VAL A 41 13.091 0.432 -1.339 1.00 0.00 C ATOM 596 O VAL A 41 13.242 1.310 -2.158 1.00 0.00 O ATOM 597 CB VAL A 41 10.614 0.614 -0.945 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.149 -0.776 -1.376 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.611 1.192 0.056 1.00 0.00 C ATOM 0 H VAL A 41 12.100 2.623 0.073 1.00 0.00 H new ATOM 0 HA VAL A 41 12.030 -0.379 0.342 1.00 0.00 H new ATOM 0 HB VAL A 41 10.681 1.259 -1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.170 -0.702 -1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.864 -1.196 -2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.081 -1.424 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.629 1.263 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.551 0.541 0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.938 2.184 0.366 1.00 0.00 H new ATOM 609 N PHE A 42 13.875 -0.612 -1.324 1.00 0.00 N ATOM 610 CA PHE A 42 14.980 -0.736 -2.324 1.00 0.00 C ATOM 611 C PHE A 42 14.503 -1.484 -3.569 1.00 0.00 C ATOM 612 O PHE A 42 13.834 -2.493 -3.487 1.00 0.00 O ATOM 613 CB PHE A 42 16.142 -1.511 -1.699 1.00 0.00 C ATOM 614 CG PHE A 42 16.865 -0.627 -0.710 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.575 0.500 -1.164 1.00 0.00 C ATOM 616 CD2 PHE A 42 16.833 -0.931 0.663 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.254 1.323 -0.247 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.511 -0.109 1.582 1.00 0.00 C ATOM 619 CZ PHE A 42 18.223 1.018 1.126 1.00 0.00 C ATOM 0 H PHE A 42 13.800 -1.386 -0.663 1.00 0.00 H new ATOM 0 HA PHE A 42 15.300 0.265 -2.612 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.769 -2.405 -1.199 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.830 -1.844 -2.476 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.599 0.734 -2.218 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.288 -1.796 1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.798 2.188 -0.597 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.486 -0.342 2.636 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.745 1.648 1.831 1.00 0.00 H new ATOM 629 N GLN A 43 14.876 -1.002 -4.727 1.00 0.00 N ATOM 630 CA GLN A 43 14.489 -1.679 -6.001 1.00 0.00 C ATOM 631 C GLN A 43 15.671 -2.553 -6.434 1.00 0.00 C ATOM 632 O GLN A 43 16.781 -2.066 -6.571 1.00 0.00 O ATOM 633 CB GLN A 43 14.192 -0.613 -7.059 1.00 0.00 C ATOM 634 CG GLN A 43 12.967 0.198 -6.633 1.00 0.00 C ATOM 635 CD GLN A 43 12.879 1.471 -7.478 1.00 0.00 C ATOM 636 OE1 GLN A 43 13.295 1.487 -8.619 1.00 0.00 O ATOM 637 NE2 GLN A 43 12.350 2.547 -6.962 1.00 0.00 N ATOM 0 H GLN A 43 15.438 -0.159 -4.845 1.00 0.00 H new ATOM 0 HA GLN A 43 13.599 -2.295 -5.873 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.053 0.044 -7.180 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.012 -1.084 -8.025 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.062 -0.397 -6.757 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.037 0.454 -5.576 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.000 2.534 -6.004 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.286 3.400 -7.517 1.00 0.00 H new ATOM 646 N THR A 44 15.469 -3.847 -6.601 1.00 0.00 N ATOM 647 CA THR A 44 16.628 -4.741 -6.962 1.00 0.00 C ATOM 648 C THR A 44 16.674 -5.062 -8.457 1.00 0.00 C ATOM 649 O THR A 44 16.191 -4.323 -9.290 1.00 0.00 O ATOM 650 CB THR A 44 16.512 -6.057 -6.195 1.00 0.00 C ATOM 651 OG1 THR A 44 15.609 -6.914 -6.875 1.00 0.00 O ATOM 652 CG2 THR A 44 15.989 -5.775 -4.788 1.00 0.00 C ATOM 0 H THR A 44 14.568 -4.316 -6.505 1.00 0.00 H new ATOM 0 HA THR A 44 17.540 -4.206 -6.698 1.00 0.00 H new ATOM 0 HB THR A 44 17.489 -6.535 -6.130 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.899 -7.844 -6.770 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.905 -6.712 -4.237 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.680 -5.110 -4.270 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.009 -5.302 -4.852 1.00 0.00 H new ATOM 660 N LYS A 45 17.288 -6.178 -8.784 1.00 0.00 N ATOM 661 CA LYS A 45 17.429 -6.606 -10.209 1.00 0.00 C ATOM 662 C LYS A 45 16.584 -7.857 -10.476 1.00 0.00 C ATOM 663 O LYS A 45 16.181 -8.110 -11.593 1.00 0.00 O ATOM 664 CB LYS A 45 18.895 -6.945 -10.474 1.00 0.00 C ATOM 665 CG LYS A 45 19.766 -5.752 -10.105 1.00 0.00 C ATOM 666 CD LYS A 45 21.216 -6.025 -10.520 1.00 0.00 C ATOM 667 CE LYS A 45 21.977 -4.707 -10.608 1.00 0.00 C ATOM 668 NZ LYS A 45 21.601 -3.995 -11.861 1.00 0.00 N ATOM 0 H LYS A 45 17.703 -6.819 -8.108 1.00 0.00 H new ATOM 0 HA LYS A 45 17.092 -5.799 -10.860 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.189 -7.818 -9.891 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.036 -7.201 -11.524 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.398 -4.854 -10.601 1.00 0.00 H new ATOM 0 HG3 LYS A 45 19.713 -5.568 -9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.694 -6.686 -9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.240 -6.536 -11.483 1.00 0.00 H new ATOM 0 HE2 LYS A 45 21.749 -4.085 -9.742 1.00 0.00 H new ATOM 0 HE3 LYS A 45 23.051 -4.894 -10.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 21.897 -3.000 -11.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 22.073 -4.445 -12.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 20.570 -4.042 -11.991 1.00 0.00 H new ATOM 682 N ARG A 46 16.324 -8.649 -9.458 1.00 0.00 N ATOM 683 CA ARG A 46 15.515 -9.902 -9.641 1.00 0.00 C ATOM 684 C ARG A 46 14.352 -9.878 -8.650 1.00 0.00 C ATOM 685 O ARG A 46 14.111 -10.811 -7.917 1.00 0.00 O ATOM 686 CB ARG A 46 16.419 -11.128 -9.394 1.00 0.00 C ATOM 687 CG ARG A 46 15.658 -12.472 -9.535 1.00 0.00 C ATOM 688 CD ARG A 46 14.679 -12.457 -10.718 1.00 0.00 C ATOM 689 NE ARG A 46 13.467 -11.663 -10.376 1.00 0.00 N ATOM 690 CZ ARG A 46 12.670 -11.249 -11.322 1.00 0.00 C ATOM 691 NH1 ARG A 46 12.936 -11.528 -12.568 1.00 0.00 N ATOM 692 NH2 ARG A 46 11.604 -10.557 -11.023 1.00 0.00 N ATOM 0 H ARG A 46 16.639 -8.480 -8.503 1.00 0.00 H new ATOM 0 HA ARG A 46 15.119 -9.962 -10.655 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.249 -11.110 -10.100 1.00 0.00 H new ATOM 0 HB3 ARG A 46 16.849 -11.062 -8.394 1.00 0.00 H new ATOM 0 HG2 ARG A 46 16.375 -13.282 -9.668 1.00 0.00 H new ATOM 0 HG3 ARG A 46 15.111 -12.678 -8.615 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.165 -12.031 -11.596 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.393 -13.477 -10.975 1.00 0.00 H new ATOM 0 HE ARG A 46 13.260 -11.443 -9.402 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.767 -12.070 -12.803 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.313 -11.204 -13.307 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.394 -10.340 -10.049 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.981 -10.234 -11.764 1.00 0.00 H new ATOM 706 N SER A 47 13.619 -8.812 -8.638 1.00 0.00 N ATOM 707 CA SER A 47 12.465 -8.720 -7.725 1.00 0.00 C ATOM 708 C SER A 47 11.629 -7.518 -8.141 1.00 0.00 C ATOM 709 O SER A 47 11.170 -7.420 -9.261 1.00 0.00 O ATOM 710 CB SER A 47 12.954 -8.564 -6.280 1.00 0.00 C ATOM 711 OG SER A 47 13.469 -7.256 -6.087 1.00 0.00 O ATOM 0 H SER A 47 13.772 -7.994 -9.227 1.00 0.00 H new ATOM 0 HA SER A 47 11.861 -9.626 -7.779 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.133 -8.748 -5.587 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.725 -9.304 -6.065 1.00 0.00 H new ATOM 0 HG SER A 47 14.384 -7.210 -6.436 1.00 0.00 H new ATOM 717 N LYS A 48 11.452 -6.604 -7.255 1.00 0.00 N ATOM 718 CA LYS A 48 10.673 -5.388 -7.567 1.00 0.00 C ATOM 719 C LYS A 48 11.091 -4.334 -6.563 1.00 0.00 C ATOM 720 O LYS A 48 11.953 -3.517 -6.818 1.00 0.00 O ATOM 721 CB LYS A 48 9.173 -5.668 -7.421 1.00 0.00 C ATOM 722 CG LYS A 48 8.703 -6.595 -8.547 1.00 0.00 C ATOM 723 CD LYS A 48 7.175 -6.557 -8.642 1.00 0.00 C ATOM 724 CE LYS A 48 6.715 -7.359 -9.862 1.00 0.00 C ATOM 725 NZ LYS A 48 6.964 -6.566 -11.099 1.00 0.00 N ATOM 0 H LYS A 48 11.820 -6.644 -6.305 1.00 0.00 H new ATOM 0 HA LYS A 48 10.858 -5.061 -8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.973 -6.127 -6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.615 -4.732 -7.452 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.144 -6.285 -9.494 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.040 -7.614 -8.357 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.734 -6.971 -7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.831 -5.526 -8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.251 -8.307 -9.911 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.655 -7.596 -9.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.474 -7.011 -11.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.606 -5.598 -10.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.986 -6.534 -11.291 1.00 0.00 H new ATOM 739 N GLN A 49 10.499 -4.382 -5.401 1.00 0.00 N ATOM 740 CA GLN A 49 10.842 -3.418 -4.323 1.00 0.00 C ATOM 741 C GLN A 49 10.963 -4.200 -3.003 1.00 0.00 C ATOM 742 O GLN A 49 10.359 -5.247 -2.827 1.00 0.00 O ATOM 743 CB GLN A 49 9.741 -2.337 -4.228 1.00 0.00 C ATOM 744 CG GLN A 49 8.938 -2.288 -5.532 1.00 0.00 C ATOM 745 CD GLN A 49 7.967 -1.107 -5.491 1.00 0.00 C ATOM 746 OE1 GLN A 49 6.774 -1.279 -5.644 1.00 0.00 O ATOM 747 NE2 GLN A 49 8.431 0.097 -5.288 1.00 0.00 N ATOM 0 H GLN A 49 9.780 -5.061 -5.151 1.00 0.00 H new ATOM 0 HA GLN A 49 11.787 -2.918 -4.535 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.078 -2.555 -3.391 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.192 -1.364 -4.032 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.612 -2.189 -6.383 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.388 -3.219 -5.668 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.432 0.243 -5.159 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.792 0.891 -5.258 1.00 0.00 H new ATOM 756 N VAL A 50 11.751 -3.712 -2.081 1.00 0.00 N ATOM 757 CA VAL A 50 11.925 -4.427 -0.777 1.00 0.00 C ATOM 758 C VAL A 50 11.939 -3.408 0.353 1.00 0.00 C ATOM 759 O VAL A 50 12.730 -2.492 0.357 1.00 0.00 O ATOM 760 CB VAL A 50 13.250 -5.198 -0.796 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.252 -6.249 0.318 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.408 -5.878 -2.161 1.00 0.00 C ATOM 0 H VAL A 50 12.284 -2.847 -2.173 1.00 0.00 H new ATOM 0 HA VAL A 50 11.103 -5.126 -0.624 1.00 0.00 H new ATOM 0 HB VAL A 50 14.081 -4.512 -0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.195 -6.795 0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.135 -5.756 1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.427 -6.945 0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.348 -6.430 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.579 -6.566 -2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.410 -5.122 -2.946 1.00 0.00 H new ATOM 772 N CYS A 51 11.071 -3.564 1.310 1.00 0.00 N ATOM 773 CA CYS A 51 11.024 -2.594 2.436 1.00 0.00 C ATOM 774 C CYS A 51 12.250 -2.786 3.323 1.00 0.00 C ATOM 775 O CYS A 51 12.786 -3.870 3.437 1.00 0.00 O ATOM 776 CB CYS A 51 9.757 -2.838 3.253 1.00 0.00 C ATOM 777 SG CYS A 51 8.303 -2.482 2.236 1.00 0.00 S ATOM 0 H CYS A 51 10.391 -4.322 1.361 1.00 0.00 H new ATOM 0 HA CYS A 51 11.018 -1.576 2.046 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.728 -3.871 3.598 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.757 -2.205 4.141 1.00 0.00 H new ATOM 782 N ALA A 52 12.709 -1.730 3.942 1.00 0.00 N ATOM 783 CA ALA A 52 13.918 -1.832 4.814 1.00 0.00 C ATOM 784 C ALA A 52 13.757 -0.919 6.031 1.00 0.00 C ATOM 785 O ALA A 52 13.318 0.211 5.921 1.00 0.00 O ATOM 786 CB ALA A 52 15.147 -1.392 4.015 1.00 0.00 C ATOM 0 H ALA A 52 12.298 -0.798 3.881 1.00 0.00 H new ATOM 0 HA ALA A 52 14.038 -2.862 5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.034 -1.463 4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.266 -2.038 3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.017 -0.361 3.686 1.00 0.00 H new ATOM 792 N ASP A 53 14.116 -1.401 7.189 1.00 0.00 N ATOM 793 CA ASP A 53 13.993 -0.568 8.419 1.00 0.00 C ATOM 794 C ASP A 53 15.019 0.592 8.355 1.00 0.00 C ATOM 795 O ASP A 53 16.203 0.325 8.321 1.00 0.00 O ATOM 796 CB ASP A 53 14.308 -1.438 9.639 1.00 0.00 C ATOM 797 CG ASP A 53 13.886 -0.703 10.913 1.00 0.00 C ATOM 798 OD1 ASP A 53 14.040 0.507 10.954 1.00 0.00 O ATOM 799 OD2 ASP A 53 13.416 -1.363 11.825 1.00 0.00 O ATOM 0 H ASP A 53 14.490 -2.338 7.337 1.00 0.00 H new ATOM 0 HA ASP A 53 12.983 -0.165 8.493 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.783 -2.390 9.565 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.374 -1.663 9.673 1.00 0.00 H new ATOM 804 N PRO A 54 14.577 1.846 8.339 1.00 0.00 N ATOM 805 CA PRO A 54 15.525 2.980 8.275 1.00 0.00 C ATOM 806 C PRO A 54 16.462 2.970 9.495 1.00 0.00 C ATOM 807 O PRO A 54 17.385 3.755 9.587 1.00 0.00 O ATOM 808 CB PRO A 54 14.638 4.248 8.273 1.00 0.00 C ATOM 809 CG PRO A 54 13.153 3.786 8.322 1.00 0.00 C ATOM 810 CD PRO A 54 13.146 2.241 8.376 1.00 0.00 C ATOM 0 HA PRO A 54 16.164 2.931 7.393 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.871 4.879 9.131 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.824 4.844 7.379 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.651 4.202 9.196 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.612 4.141 7.445 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.661 1.880 9.283 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.599 1.820 7.533 1.00 0.00 H new ATOM 818 N SER A 55 16.219 2.104 10.436 1.00 0.00 N ATOM 819 CA SER A 55 17.081 2.064 11.656 1.00 0.00 C ATOM 820 C SER A 55 18.405 1.354 11.354 1.00 0.00 C ATOM 821 O SER A 55 19.371 1.504 12.076 1.00 0.00 O ATOM 822 CB SER A 55 16.347 1.313 12.767 1.00 0.00 C ATOM 823 OG SER A 55 17.056 1.474 13.988 1.00 0.00 O ATOM 0 H SER A 55 15.462 1.421 10.417 1.00 0.00 H new ATOM 0 HA SER A 55 17.293 3.085 11.972 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.331 1.694 12.870 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.267 0.255 12.516 1.00 0.00 H new ATOM 0 HG SER A 55 16.588 0.995 14.704 1.00 0.00 H new ATOM 829 N GLU A 56 18.465 0.583 10.303 1.00 0.00 N ATOM 830 CA GLU A 56 19.738 -0.129 9.976 1.00 0.00 C ATOM 831 C GLU A 56 20.685 0.828 9.239 1.00 0.00 C ATOM 832 O GLU A 56 20.360 1.375 8.206 1.00 0.00 O ATOM 833 CB GLU A 56 19.427 -1.345 9.099 1.00 0.00 C ATOM 834 CG GLU A 56 18.930 -2.501 9.972 1.00 0.00 C ATOM 835 CD GLU A 56 18.528 -3.678 9.082 1.00 0.00 C ATOM 836 OE1 GLU A 56 17.860 -3.442 8.088 1.00 0.00 O ATOM 837 OE2 GLU A 56 18.894 -4.795 9.410 1.00 0.00 O ATOM 0 H GLU A 56 17.693 0.414 9.658 1.00 0.00 H new ATOM 0 HA GLU A 56 20.220 -0.465 10.894 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.671 -1.086 8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.320 -1.648 8.552 1.00 0.00 H new ATOM 0 HG2 GLU A 56 19.712 -2.808 10.667 1.00 0.00 H new ATOM 0 HG3 GLU A 56 18.079 -2.178 10.572 1.00 0.00 H new ATOM 844 N SER A 57 21.850 1.038 9.785 1.00 0.00 N ATOM 845 CA SER A 57 22.838 1.965 9.159 1.00 0.00 C ATOM 846 C SER A 57 23.032 1.668 7.667 1.00 0.00 C ATOM 847 O SER A 57 23.131 2.571 6.862 1.00 0.00 O ATOM 848 CB SER A 57 24.182 1.822 9.876 1.00 0.00 C ATOM 849 OG SER A 57 23.981 1.942 11.278 1.00 0.00 O ATOM 0 H SER A 57 22.165 0.601 10.651 1.00 0.00 H new ATOM 0 HA SER A 57 22.454 2.981 9.254 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.631 0.857 9.643 1.00 0.00 H new ATOM 0 HB3 SER A 57 24.876 2.588 9.529 1.00 0.00 H new ATOM 0 HG SER A 57 24.840 1.849 11.741 1.00 0.00 H new ATOM 855 N TRP A 58 23.115 0.422 7.285 1.00 0.00 N ATOM 856 CA TRP A 58 23.331 0.114 5.841 1.00 0.00 C ATOM 857 C TRP A 58 22.201 0.717 5.012 1.00 0.00 C ATOM 858 O TRP A 58 22.389 1.098 3.875 1.00 0.00 O ATOM 859 CB TRP A 58 23.444 -1.400 5.632 1.00 0.00 C ATOM 860 CG TRP A 58 22.110 -2.070 5.644 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.638 -2.825 6.659 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.100 -2.115 4.594 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.403 -3.333 6.305 1.00 0.00 N ATOM 864 CE2 TRP A 58 20.019 -2.916 5.049 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.009 -1.541 3.304 1.00 0.00 C ATOM 866 CZ2 TRP A 58 18.888 -3.144 4.254 1.00 0.00 C ATOM 867 CZ3 TRP A 58 19.872 -1.766 2.500 1.00 0.00 C ATOM 868 CH2 TRP A 58 18.812 -2.566 2.977 1.00 0.00 C ATOM 0 H TRP A 58 23.044 -0.388 7.901 1.00 0.00 H new ATOM 0 HA TRP A 58 24.268 0.560 5.508 1.00 0.00 H new ATOM 0 HB2 TRP A 58 23.940 -1.598 4.682 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.071 -1.828 6.414 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.144 -3.003 7.596 1.00 0.00 H new ATOM 0 HE1 TRP A 58 19.843 -3.943 6.901 1.00 0.00 H new ATOM 0 HE3 TRP A 58 21.816 -0.926 2.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.080 -3.760 4.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 19.813 -1.325 1.516 1.00 0.00 H new ATOM 0 HH2 TRP A 58 17.942 -2.734 2.359 1.00 0.00 H new ATOM 879 N VAL A 59 21.036 0.840 5.575 1.00 0.00 N ATOM 880 CA VAL A 59 19.912 1.446 4.814 1.00 0.00 C ATOM 881 C VAL A 59 20.209 2.925 4.594 1.00 0.00 C ATOM 882 O VAL A 59 20.118 3.433 3.496 1.00 0.00 O ATOM 883 CB VAL A 59 18.622 1.283 5.611 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.453 1.919 4.854 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.364 -0.208 5.810 1.00 0.00 C ATOM 0 H VAL A 59 20.813 0.548 6.527 1.00 0.00 H new ATOM 0 HA VAL A 59 19.798 0.952 3.849 1.00 0.00 H new ATOM 0 HB VAL A 59 18.717 1.778 6.577 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.536 1.797 5.431 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.650 2.981 4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.339 1.432 3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.444 -0.345 6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.266 -0.693 4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.197 -0.652 6.355 1.00 0.00 H new ATOM 895 N GLN A 60 20.579 3.619 5.631 1.00 0.00 N ATOM 896 CA GLN A 60 20.897 5.066 5.476 1.00 0.00 C ATOM 897 C GLN A 60 22.124 5.222 4.573 1.00 0.00 C ATOM 898 O GLN A 60 22.195 6.113 3.751 1.00 0.00 O ATOM 899 CB GLN A 60 21.189 5.677 6.848 1.00 0.00 C ATOM 900 CG GLN A 60 21.313 7.196 6.716 1.00 0.00 C ATOM 901 CD GLN A 60 21.737 7.792 8.060 1.00 0.00 C ATOM 902 OE1 GLN A 60 22.808 7.504 8.555 1.00 0.00 O ATOM 903 NE2 GLN A 60 20.935 8.618 8.675 1.00 0.00 N ATOM 0 H GLN A 60 20.675 3.250 6.577 1.00 0.00 H new ATOM 0 HA GLN A 60 20.047 5.579 5.027 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.391 5.426 7.547 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.111 5.260 7.254 1.00 0.00 H new ATOM 0 HG2 GLN A 60 22.045 7.446 5.948 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.361 7.623 6.401 1.00 0.00 H new ATOM 0 HE21 GLN A 60 20.035 8.860 8.259 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.208 9.022 9.571 1.00 0.00 H new ATOM 912 N GLU A 61 23.093 4.360 4.726 1.00 0.00 N ATOM 913 CA GLU A 61 24.321 4.452 3.885 1.00 0.00 C ATOM 914 C GLU A 61 23.972 4.188 2.418 1.00 0.00 C ATOM 915 O GLU A 61 24.358 4.927 1.534 1.00 0.00 O ATOM 916 CB GLU A 61 25.340 3.415 4.359 1.00 0.00 C ATOM 917 CG GLU A 61 26.658 3.612 3.607 1.00 0.00 C ATOM 918 CD GLU A 61 27.693 2.609 4.120 1.00 0.00 C ATOM 919 OE1 GLU A 61 27.685 2.334 5.309 1.00 0.00 O ATOM 920 OE2 GLU A 61 28.477 2.132 3.315 1.00 0.00 O ATOM 0 H GLU A 61 23.087 3.594 5.399 1.00 0.00 H new ATOM 0 HA GLU A 61 24.743 5.453 3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.503 3.514 5.432 1.00 0.00 H new ATOM 0 HB3 GLU A 61 24.958 2.409 4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 61 26.502 3.475 2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 61 27.021 4.630 3.749 1.00 0.00 H new ATOM 927 N TYR A 62 23.248 3.137 2.153 1.00 0.00 N ATOM 928 CA TYR A 62 22.879 2.819 0.743 1.00 0.00 C ATOM 929 C TYR A 62 22.017 3.948 0.167 1.00 0.00 C ATOM 930 O TYR A 62 22.129 4.294 -0.992 1.00 0.00 O ATOM 931 CB TYR A 62 22.097 1.493 0.696 1.00 0.00 C ATOM 932 CG TYR A 62 23.050 0.307 0.708 1.00 0.00 C ATOM 933 CD1 TYR A 62 24.078 0.215 1.670 1.00 0.00 C ATOM 934 CD2 TYR A 62 22.898 -0.716 -0.252 1.00 0.00 C ATOM 935 CE1 TYR A 62 24.948 -0.893 1.670 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.770 -1.822 -0.251 1.00 0.00 C ATOM 937 CZ TYR A 62 24.794 -1.909 0.709 1.00 0.00 C ATOM 938 OH TYR A 62 25.648 -2.994 0.711 1.00 0.00 O ATOM 0 H TYR A 62 22.895 2.483 2.852 1.00 0.00 H new ATOM 0 HA TYR A 62 23.787 2.721 0.148 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.422 1.432 1.550 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.479 1.461 -0.202 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.198 0.995 2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.111 -0.651 -0.989 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.733 -0.963 2.408 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.652 -2.603 -0.987 1.00 0.00 H new ATOM 0 HH TYR A 62 25.404 -3.604 -0.017 1.00 0.00 H new ATOM 948 N VAL A 63 21.165 4.534 0.964 1.00 0.00 N ATOM 949 CA VAL A 63 20.317 5.640 0.448 1.00 0.00 C ATOM 950 C VAL A 63 21.222 6.814 0.109 1.00 0.00 C ATOM 951 O VAL A 63 21.051 7.482 -0.889 1.00 0.00 O ATOM 952 CB VAL A 63 19.306 6.052 1.522 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.615 7.359 1.115 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.253 4.951 1.678 1.00 0.00 C ATOM 0 H VAL A 63 21.022 4.294 1.945 1.00 0.00 H new ATOM 0 HA VAL A 63 19.773 5.320 -0.441 1.00 0.00 H new ATOM 0 HB VAL A 63 19.828 6.200 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 63 17.897 7.646 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.361 8.146 1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 63 18.095 7.216 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.532 5.242 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.737 4.804 0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.740 4.022 1.974 1.00 0.00 H new ATOM 964 N TYR A 64 22.192 7.062 0.938 1.00 0.00 N ATOM 965 CA TYR A 64 23.120 8.186 0.676 1.00 0.00 C ATOM 966 C TYR A 64 23.866 7.924 -0.630 1.00 0.00 C ATOM 967 O TYR A 64 24.038 8.799 -1.452 1.00 0.00 O ATOM 968 CB TYR A 64 24.123 8.292 1.829 1.00 0.00 C ATOM 969 CG TYR A 64 24.767 9.660 1.825 1.00 0.00 C ATOM 970 CD1 TYR A 64 24.060 10.771 2.325 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.072 9.824 1.323 1.00 0.00 C ATOM 972 CE1 TYR A 64 24.660 12.046 2.321 1.00 0.00 C ATOM 973 CE2 TYR A 64 26.671 11.098 1.319 1.00 0.00 C ATOM 974 CZ TYR A 64 25.964 12.209 1.817 1.00 0.00 C ATOM 975 OH TYR A 64 26.551 13.458 1.814 1.00 0.00 O ATOM 0 H TYR A 64 22.381 6.532 1.788 1.00 0.00 H new ATOM 0 HA TYR A 64 22.561 9.118 0.596 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.618 8.121 2.779 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.887 7.520 1.731 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.059 10.646 2.711 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.614 8.972 0.941 1.00 0.00 H new ATOM 0 HE1 TYR A 64 24.119 12.898 2.705 1.00 0.00 H new ATOM 0 HE2 TYR A 64 27.672 11.223 0.934 1.00 0.00 H new ATOM 0 HH TYR A 64 27.452 13.395 1.434 1.00 0.00 H new ATOM 985 N ASP A 65 24.308 6.716 -0.817 1.00 0.00 N ATOM 986 CA ASP A 65 25.049 6.369 -2.061 1.00 0.00 C ATOM 987 C ASP A 65 24.137 6.567 -3.274 1.00 0.00 C ATOM 988 O ASP A 65 24.574 6.965 -4.336 1.00 0.00 O ATOM 989 CB ASP A 65 25.492 4.905 -1.984 1.00 0.00 C ATOM 990 CG ASP A 65 26.730 4.785 -1.090 1.00 0.00 C ATOM 991 OD1 ASP A 65 27.820 5.011 -1.588 1.00 0.00 O ATOM 992 OD2 ASP A 65 26.565 4.469 0.077 1.00 0.00 O ATOM 0 H ASP A 65 24.188 5.947 -0.158 1.00 0.00 H new ATOM 0 HA ASP A 65 25.922 7.013 -2.162 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.684 4.291 -1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 65 25.715 4.530 -2.983 1.00 0.00 H new ATOM 997 N LEU A 66 22.874 6.289 -3.122 1.00 0.00 N ATOM 998 CA LEU A 66 21.925 6.454 -4.260 1.00 0.00 C ATOM 999 C LEU A 66 21.682 7.945 -4.515 1.00 0.00 C ATOM 1000 O LEU A 66 21.410 8.359 -5.624 1.00 0.00 O ATOM 1001 CB LEU A 66 20.603 5.763 -3.899 1.00 0.00 C ATOM 1002 CG LEU A 66 20.712 4.242 -4.140 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.651 3.512 -3.313 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.483 3.917 -5.625 1.00 0.00 C ATOM 0 H LEU A 66 22.455 5.953 -2.255 1.00 0.00 H new ATOM 0 HA LEU A 66 22.341 6.007 -5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.357 5.956 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 66 19.793 6.176 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 66 21.710 3.917 -3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.730 2.439 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.806 3.722 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.660 3.855 -3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.563 2.841 -5.778 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.489 4.253 -5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.234 4.427 -6.229 1.00 0.00 H new ATOM 1016 N GLU A 67 21.781 8.751 -3.498 1.00 0.00 N ATOM 1017 CA GLU A 67 21.559 10.214 -3.680 1.00 0.00 C ATOM 1018 C GLU A 67 22.743 10.813 -4.436 1.00 0.00 C ATOM 1019 O GLU A 67 22.609 11.784 -5.155 1.00 0.00 O ATOM 1020 CB GLU A 67 21.447 10.884 -2.309 1.00 0.00 C ATOM 1021 CG GLU A 67 20.160 10.427 -1.616 1.00 0.00 C ATOM 1022 CD GLU A 67 18.966 11.210 -2.168 1.00 0.00 C ATOM 1023 OE1 GLU A 67 19.136 11.881 -3.173 1.00 0.00 O ATOM 1024 OE2 GLU A 67 17.901 11.122 -1.579 1.00 0.00 O ATOM 0 H GLU A 67 22.006 8.462 -2.546 1.00 0.00 H new ATOM 0 HA GLU A 67 20.641 10.377 -4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.312 10.629 -1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 67 21.446 11.968 -2.422 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.011 9.359 -1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.241 10.581 -0.540 1.00 0.00 H new ATOM 1116 N SER B 5 10.997 -10.107 -3.805 1.00 0.00 N ATOM 1117 CA SER B 5 11.536 -10.028 -2.413 1.00 0.00 C ATOM 1118 C SER B 5 10.424 -9.645 -1.416 1.00 0.00 C ATOM 1119 O SER B 5 9.783 -10.505 -0.845 1.00 0.00 O ATOM 1120 CB SER B 5 12.681 -9.009 -2.387 1.00 0.00 C ATOM 1121 OG SER B 5 13.920 -9.705 -2.352 1.00 0.00 O ATOM 0 HA SER B 5 11.916 -11.004 -2.109 1.00 0.00 H new ATOM 0 HB2 SER B 5 12.634 -8.368 -3.267 1.00 0.00 H new ATOM 0 HB3 SER B 5 12.589 -8.361 -1.515 1.00 0.00 H new ATOM 0 HG SER B 5 14.657 -9.060 -2.337 1.00 0.00 H new ATOM 1127 N ASP B 6 10.197 -8.371 -1.180 1.00 0.00 N ATOM 1128 CA ASP B 6 9.133 -7.983 -0.194 1.00 0.00 C ATOM 1129 C ASP B 6 8.649 -6.549 -0.459 1.00 0.00 C ATOM 1130 O ASP B 6 9.001 -5.648 0.275 1.00 0.00 O ATOM 1131 CB ASP B 6 9.704 -8.048 1.231 1.00 0.00 C ATOM 1132 CG ASP B 6 10.440 -9.372 1.435 1.00 0.00 C ATOM 1133 OD1 ASP B 6 11.621 -9.425 1.131 1.00 0.00 O ATOM 1134 OD2 ASP B 6 9.812 -10.313 1.893 1.00 0.00 O ATOM 0 H ASP B 6 10.693 -7.595 -1.619 1.00 0.00 H new ATOM 0 HA ASP B 6 8.297 -8.674 -0.301 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.385 -7.214 1.398 1.00 0.00 H new ATOM 0 HB3 ASP B 6 8.899 -7.953 1.960 1.00 0.00 H new ATOM 1139 N PRO B 7 7.852 -6.365 -1.489 1.00 0.00 N ATOM 1140 CA PRO B 7 7.328 -5.027 -1.819 1.00 0.00 C ATOM 1141 C PRO B 7 6.410 -4.535 -0.678 1.00 0.00 C ATOM 1142 O PRO B 7 6.047 -5.310 0.185 1.00 0.00 O ATOM 1143 CB PRO B 7 6.545 -5.223 -3.140 1.00 0.00 C ATOM 1144 CG PRO B 7 6.646 -6.731 -3.525 1.00 0.00 C ATOM 1145 CD PRO B 7 7.419 -7.448 -2.396 1.00 0.00 C ATOM 0 HA PRO B 7 8.110 -4.276 -1.933 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.503 -4.928 -3.016 1.00 0.00 H new ATOM 0 HB3 PRO B 7 6.961 -4.597 -3.929 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.653 -7.164 -3.644 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.162 -6.850 -4.478 1.00 0.00 H new ATOM 0 HD2 PRO B 7 6.785 -8.168 -1.878 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.273 -8.000 -2.790 1.00 0.00 H new ATOM 1153 N PRO B 8 6.059 -3.263 -0.699 1.00 0.00 N ATOM 1154 CA PRO B 8 5.185 -2.681 0.341 1.00 0.00 C ATOM 1155 C PRO B 8 3.823 -3.396 0.347 1.00 0.00 C ATOM 1156 O PRO B 8 3.693 -4.510 -0.118 1.00 0.00 O ATOM 1157 CB PRO B 8 5.035 -1.191 -0.053 1.00 0.00 C ATOM 1158 CG PRO B 8 5.758 -0.996 -1.417 1.00 0.00 C ATOM 1159 CD PRO B 8 6.497 -2.312 -1.742 1.00 0.00 C ATOM 0 HA PRO B 8 5.596 -2.790 1.345 1.00 0.00 H new ATOM 0 HB2 PRO B 8 3.982 -0.919 -0.134 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.473 -0.546 0.709 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.040 -0.756 -2.201 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.461 -0.165 -1.363 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.241 -2.673 -2.738 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.578 -2.173 -1.721 1.00 0.00 H new ATOM 1167 N THR B 9 2.812 -2.756 0.876 1.00 0.00 N ATOM 1168 CA THR B 9 1.462 -3.387 0.917 1.00 0.00 C ATOM 1169 C THR B 9 0.389 -2.300 0.938 1.00 0.00 C ATOM 1170 O THR B 9 0.400 -1.415 1.769 1.00 0.00 O ATOM 1171 CB THR B 9 1.340 -4.241 2.179 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.511 -5.031 2.327 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.115 -5.152 2.066 1.00 0.00 C ATOM 0 H THR B 9 2.865 -1.822 1.282 1.00 0.00 H new ATOM 0 HA THR B 9 1.328 -4.013 0.035 1.00 0.00 H new ATOM 0 HB THR B 9 1.226 -3.593 3.048 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.587 -5.333 3.256 1.00 0.00 H new ATOM 0 HG21 THR B 9 0.030 -5.760 2.967 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.782 -4.543 1.953 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.224 -5.802 1.198 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.537 -2.364 0.025 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.617 -1.343 -0.021 1.00 0.00 C ATOM 1183 C ALA B 10 -2.535 -1.510 1.191 1.00 0.00 C ATOM 1184 O ALA B 10 -3.581 -2.125 1.106 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.426 -1.532 -1.302 1.00 0.00 C ATOM 0 H ALA B 10 -0.592 -3.084 -0.695 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.179 -0.345 -0.004 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.221 -0.787 -1.344 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.772 -1.414 -2.166 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.864 -2.530 -1.312 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.157 -0.957 2.315 1.00 0.00 N ATOM 1192 CA CYS B 11 -3.004 -1.065 3.546 1.00 0.00 C ATOM 1193 C CYS B 11 -3.620 0.305 3.837 1.00 0.00 C ATOM 1194 O CYS B 11 -2.986 1.329 3.669 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.132 -1.497 4.729 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.306 -3.059 4.333 1.00 0.00 S ATOM 0 H CYS B 11 -1.292 -0.431 2.436 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.792 -1.803 3.394 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.392 -0.728 4.949 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.745 -1.614 5.623 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.853 0.336 4.259 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.506 1.645 4.548 1.00 0.00 C ATOM 1203 C CYS B 12 -4.996 2.193 5.882 1.00 0.00 C ATOM 1204 O CYS B 12 -4.791 1.460 6.828 1.00 0.00 O ATOM 1205 CB CYS B 12 -7.023 1.453 4.622 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.642 0.901 3.013 1.00 0.00 S ATOM 0 H CYS B 12 -5.436 -0.486 4.416 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.266 2.351 3.753 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.270 0.720 5.390 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.505 2.388 4.907 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.799 3.484 5.963 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.310 4.105 7.233 1.00 0.00 C ATOM 1213 C PHE B 13 -5.495 4.767 7.939 1.00 0.00 C ATOM 1214 O PHE B 13 -5.462 5.037 9.123 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.252 5.165 6.905 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.901 6.308 6.161 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.201 6.174 4.793 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.211 7.503 6.837 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.811 7.236 4.100 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -4.823 8.565 6.145 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.122 8.432 4.775 1.00 0.00 C ATOM 0 H PHE B 13 -4.957 4.140 5.198 1.00 0.00 H new ATOM 0 HA PHE B 13 -3.869 3.345 7.878 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.790 5.530 7.822 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.458 4.727 6.300 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.963 5.257 4.275 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.979 7.605 7.887 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.041 7.134 3.050 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.063 9.481 6.664 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.590 9.247 4.242 1.00 0.00 H new ATOM 1231 N SER B 14 -6.543 5.027 7.206 1.00 0.00 N ATOM 1232 CA SER B 14 -7.746 5.669 7.802 1.00 0.00 C ATOM 1233 C SER B 14 -8.960 5.322 6.940 1.00 0.00 C ATOM 1234 O SER B 14 -8.996 4.293 6.296 1.00 0.00 O ATOM 1235 CB SER B 14 -7.557 7.186 7.835 1.00 0.00 C ATOM 1236 OG SER B 14 -7.678 7.703 6.516 1.00 0.00 O ATOM 0 H SER B 14 -6.616 4.819 6.210 1.00 0.00 H new ATOM 0 HA SER B 14 -7.895 5.309 8.820 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.302 7.643 8.487 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.578 7.433 8.247 1.00 0.00 H new ATOM 0 HG SER B 14 -6.785 7.851 6.140 1.00 0.00 H new ATOM 1242 N TYR B 15 -9.958 6.165 6.915 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.162 5.864 6.085 1.00 0.00 C ATOM 1244 C TYR B 15 -11.872 7.164 5.712 1.00 0.00 C ATOM 1245 O TYR B 15 -11.654 8.199 6.309 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.125 4.970 6.879 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.348 3.913 7.626 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -10.980 2.718 6.977 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -10.991 4.123 8.972 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.255 1.734 7.676 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -10.266 3.138 9.670 1.00 0.00 C ATOM 1252 CZ TYR B 15 -9.899 1.943 9.022 1.00 0.00 C ATOM 1253 OH TYR B 15 -9.188 0.978 9.706 1.00 0.00 O ATOM 0 H TYR B 15 -9.992 7.045 7.430 1.00 0.00 H new ATOM 0 HA TYR B 15 -10.849 5.349 5.177 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.701 5.574 7.580 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.839 4.499 6.203 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.254 2.557 5.945 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.273 5.039 9.469 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -9.972 0.818 7.179 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -9.992 3.299 10.702 1.00 0.00 H new ATOM 0 HH TYR B 15 -9.024 1.281 10.623 1.00 0.00 H new ATOM 1263 N THR B 16 -12.727 7.112 4.728 1.00 0.00 N ATOM 1264 CA THR B 16 -13.460 8.341 4.317 1.00 0.00 C ATOM 1265 C THR B 16 -14.287 8.849 5.500 1.00 0.00 C ATOM 1266 O THR B 16 -14.099 8.429 6.624 1.00 0.00 O ATOM 1267 CB THR B 16 -14.372 8.019 3.125 1.00 0.00 C ATOM 1268 OG1 THR B 16 -15.261 9.101 2.894 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.174 6.750 3.414 1.00 0.00 C ATOM 0 H THR B 16 -12.949 6.273 4.192 1.00 0.00 H new ATOM 0 HA THR B 16 -12.753 9.115 4.017 1.00 0.00 H new ATOM 0 HB THR B 16 -13.757 7.862 2.239 1.00 0.00 H new ATOM 0 HG1 THR B 16 -15.840 8.892 2.131 1.00 0.00 H new ATOM 0 HG21 THR B 16 -15.820 6.526 2.565 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.490 5.917 3.579 1.00 0.00 H new ATOM 0 HG23 THR B 16 -15.785 6.900 4.304 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.202 9.750 5.259 1.00 0.00 N ATOM 1278 CA ALA B 17 -16.047 10.292 6.365 1.00 0.00 C ATOM 1279 C ALA B 17 -17.475 10.465 5.850 1.00 0.00 C ATOM 1280 O ALA B 17 -18.294 11.124 6.461 1.00 0.00 O ATOM 1281 CB ALA B 17 -15.496 11.648 6.806 1.00 0.00 C ATOM 0 H ALA B 17 -15.402 10.137 4.337 1.00 0.00 H new ATOM 0 HA ALA B 17 -16.038 9.607 7.213 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -16.111 12.046 7.613 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -14.471 11.528 7.156 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -15.512 12.339 5.963 1.00 0.00 H new ATOM 1287 N ARG B 18 -17.774 9.873 4.725 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.144 9.986 4.143 1.00 0.00 C ATOM 1289 C ARG B 18 -19.541 8.641 3.531 1.00 0.00 C ATOM 1290 O ARG B 18 -18.842 8.096 2.701 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.139 11.065 3.056 1.00 0.00 C ATOM 1292 CG ARG B 18 -19.195 12.453 3.707 1.00 0.00 C ATOM 1293 CD ARG B 18 -18.757 13.512 2.695 1.00 0.00 C ATOM 1294 NE ARG B 18 -19.182 14.859 3.170 1.00 0.00 N ATOM 1295 CZ ARG B 18 -18.664 15.931 2.635 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -17.773 15.823 1.689 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -19.038 17.112 3.049 1.00 0.00 N ATOM 0 H ARG B 18 -17.122 9.310 4.179 1.00 0.00 H new ATOM 0 HA ARG B 18 -19.859 10.256 4.920 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -18.241 10.975 2.445 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -19.992 10.930 2.391 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -20.207 12.663 4.053 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -18.546 12.482 4.582 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -17.675 13.484 2.569 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -19.197 13.303 1.720 1.00 0.00 H new ATOM 0 HE ARG B 18 -19.877 14.943 3.912 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -17.481 14.900 1.367 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -17.369 16.661 1.271 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -19.734 17.196 3.790 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -18.634 17.950 2.632 1.00 0.00 H new ATOM 1311 N LYS B 19 -20.660 8.104 3.932 1.00 0.00 N ATOM 1312 CA LYS B 19 -21.101 6.796 3.371 1.00 0.00 C ATOM 1313 C LYS B 19 -21.363 6.963 1.871 1.00 0.00 C ATOM 1314 O LYS B 19 -22.146 7.794 1.457 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.383 6.351 4.093 1.00 0.00 C ATOM 1316 CG LYS B 19 -22.763 4.896 3.717 1.00 0.00 C ATOM 1317 CD LYS B 19 -23.933 4.862 2.722 1.00 0.00 C ATOM 1318 CE LYS B 19 -25.260 5.064 3.465 1.00 0.00 C ATOM 1319 NZ LYS B 19 -26.306 5.507 2.500 1.00 0.00 N ATOM 0 H LYS B 19 -21.288 8.514 4.623 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.331 6.038 3.515 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.241 6.425 5.171 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -23.202 7.022 3.833 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -21.899 4.393 3.282 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -23.033 4.344 4.618 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -23.805 5.641 1.971 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -23.944 3.909 2.194 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -25.564 4.135 3.947 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -25.139 5.807 4.253 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -27.227 5.546 2.981 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -26.065 6.451 2.136 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -26.357 4.833 1.709 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.694 6.194 1.052 1.00 0.00 N ATOM 1334 CA LEU B 20 -20.885 6.326 -0.421 1.00 0.00 C ATOM 1335 C LEU B 20 -22.266 5.765 -0.832 1.00 0.00 C ATOM 1336 O LEU B 20 -22.497 4.586 -0.655 1.00 0.00 O ATOM 1337 CB LEU B 20 -19.807 5.509 -1.144 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.448 5.718 -0.479 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.381 4.989 -1.294 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.114 7.210 -0.431 1.00 0.00 C ATOM 0 H LEU B 20 -20.024 5.481 1.340 1.00 0.00 H new ATOM 0 HA LEU B 20 -20.818 7.380 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.069 4.451 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -19.757 5.807 -2.191 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.477 5.326 0.538 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.406 5.132 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.614 3.925 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.360 5.390 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.143 7.350 0.045 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.082 7.609 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -18.878 7.736 0.142 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.149 6.580 -1.392 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.464 6.071 -1.827 1.00 0.00 C ATOM 1354 C PRO B 21 -24.262 4.929 -2.825 1.00 0.00 C ATOM 1355 O PRO B 21 -23.307 4.918 -3.574 1.00 0.00 O ATOM 1356 CB PRO B 21 -25.158 7.276 -2.502 1.00 0.00 C ATOM 1357 CG PRO B 21 -24.271 8.525 -2.242 1.00 0.00 C ATOM 1358 CD PRO B 21 -22.943 8.028 -1.633 1.00 0.00 C ATOM 0 HA PRO B 21 -25.060 5.679 -1.003 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -25.274 7.103 -3.572 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -26.158 7.423 -2.093 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -24.089 9.067 -3.170 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.770 9.216 -1.563 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -22.108 8.200 -2.313 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.713 8.553 -0.706 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.153 3.980 -2.858 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.002 2.867 -3.834 1.00 0.00 C ATOM 1368 C ARG B 22 -24.773 3.460 -5.226 1.00 0.00 C ATOM 1369 O ARG B 22 -24.108 2.881 -6.061 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.267 2.014 -3.843 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.045 0.801 -4.757 1.00 0.00 C ATOM 1372 CD ARG B 22 -27.246 -0.162 -4.678 1.00 0.00 C ATOM 1373 NE ARG B 22 -26.759 -1.578 -4.645 1.00 0.00 N ATOM 1374 CZ ARG B 22 -25.847 -2.002 -5.483 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -25.441 -1.244 -6.463 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -25.373 -3.212 -5.363 1.00 0.00 N ATOM 0 H ARG B 22 -25.974 3.926 -2.256 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.155 2.242 -3.552 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -26.506 1.685 -2.832 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.115 2.601 -4.196 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -25.905 1.134 -5.785 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -25.134 0.280 -4.464 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -27.836 0.050 -3.786 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -27.901 -0.013 -5.537 1.00 0.00 H new ATOM 0 HE ARG B 22 -27.145 -2.224 -3.957 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -25.834 -0.311 -6.583 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -24.730 -1.584 -7.110 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -25.713 -3.822 -4.619 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -24.662 -3.548 -6.013 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.326 4.618 -5.477 1.00 0.00 N ATOM 1391 CA ASN B 23 -25.151 5.263 -6.810 1.00 0.00 C ATOM 1392 C ASN B 23 -23.715 5.772 -6.959 1.00 0.00 C ATOM 1393 O ASN B 23 -23.401 6.503 -7.877 1.00 0.00 O ATOM 1394 CB ASN B 23 -26.122 6.440 -6.936 1.00 0.00 C ATOM 1395 CG ASN B 23 -25.928 7.119 -8.293 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -25.671 8.304 -8.362 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -26.040 6.411 -9.385 1.00 0.00 N ATOM 0 H ASN B 23 -25.893 5.146 -4.813 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.355 4.531 -7.592 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -27.149 6.090 -6.836 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -25.950 7.155 -6.132 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -25.912 6.853 -10.295 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -26.256 5.416 -9.328 1.00 0.00 H new ATOM 1404 N PHE B 24 -22.840 5.398 -6.059 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.417 5.867 -6.139 1.00 0.00 C ATOM 1406 C PHE B 24 -20.487 4.697 -5.804 1.00 0.00 C ATOM 1407 O PHE B 24 -19.397 4.883 -5.300 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.212 7.006 -5.124 1.00 0.00 C ATOM 1409 CG PHE B 24 -20.011 7.852 -5.501 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -19.988 8.538 -6.734 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -18.920 7.965 -4.613 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -18.878 9.332 -7.076 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -17.811 8.760 -4.960 1.00 0.00 C ATOM 1414 CZ PHE B 24 -17.789 9.443 -6.191 1.00 0.00 C ATOM 0 H PHE B 24 -23.048 4.787 -5.269 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.193 6.229 -7.142 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.105 7.630 -5.085 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.071 6.590 -4.127 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -20.822 8.454 -7.415 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -18.936 7.442 -3.668 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -18.861 9.857 -8.019 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -16.976 8.846 -4.281 1.00 0.00 H new ATOM 0 HZ PHE B 24 -16.937 10.052 -6.456 1.00 0.00 H new ATOM 1424 N VAL B 25 -20.912 3.494 -6.086 1.00 0.00 N ATOM 1425 CA VAL B 25 -20.063 2.301 -5.792 1.00 0.00 C ATOM 1426 C VAL B 25 -20.373 1.205 -6.813 1.00 0.00 C ATOM 1427 O VAL B 25 -21.256 0.393 -6.619 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.378 1.784 -4.385 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.456 0.610 -4.053 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.157 2.900 -3.361 1.00 0.00 C ATOM 0 H VAL B 25 -21.816 3.285 -6.510 1.00 0.00 H new ATOM 0 HA VAL B 25 -19.010 2.576 -5.850 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.417 1.458 -4.350 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.681 0.243 -3.052 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.611 -0.190 -4.776 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.418 0.940 -4.094 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.382 2.527 -2.362 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.119 3.229 -3.400 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -20.812 3.740 -3.591 1.00 0.00 H new ATOM 1440 N VAL B 26 -19.660 1.180 -7.908 1.00 0.00 N ATOM 1441 CA VAL B 26 -19.915 0.144 -8.946 1.00 0.00 C ATOM 1442 C VAL B 26 -19.151 -1.133 -8.603 1.00 0.00 C ATOM 1443 O VAL B 26 -19.377 -2.176 -9.183 1.00 0.00 O ATOM 1444 CB VAL B 26 -19.444 0.671 -10.301 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -20.100 2.022 -10.576 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -17.922 0.841 -10.284 1.00 0.00 C ATOM 0 H VAL B 26 -18.910 1.836 -8.127 1.00 0.00 H new ATOM 0 HA VAL B 26 -20.981 -0.079 -8.984 1.00 0.00 H new ATOM 0 HB VAL B 26 -19.722 -0.037 -11.082 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -19.765 2.399 -11.542 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -21.184 1.905 -10.588 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -19.820 2.728 -9.794 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -17.587 1.217 -11.251 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -17.644 1.549 -9.503 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -17.451 -0.122 -10.086 1.00 0.00 H new ATOM 1456 N ASP B 27 -18.248 -1.064 -7.667 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.476 -2.283 -7.301 1.00 0.00 C ATOM 1458 C ASP B 27 -16.673 -2.010 -6.036 1.00 0.00 C ATOM 1459 O ASP B 27 -16.820 -0.980 -5.408 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.524 -2.644 -8.444 1.00 0.00 C ATOM 1461 CG ASP B 27 -15.978 -4.057 -8.226 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -16.779 -4.973 -8.135 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -14.769 -4.199 -8.155 1.00 0.00 O ATOM 0 H ASP B 27 -18.012 -0.222 -7.142 1.00 0.00 H new ATOM 0 HA ASP B 27 -18.162 -3.112 -7.125 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -17.047 -2.588 -9.399 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -15.703 -1.928 -8.488 1.00 0.00 H new ATOM 1468 N TYR B 28 -15.820 -2.919 -5.653 1.00 0.00 N ATOM 1469 CA TYR B 28 -15.011 -2.697 -4.425 1.00 0.00 C ATOM 1470 C TYR B 28 -13.734 -3.528 -4.479 1.00 0.00 C ATOM 1471 O TYR B 28 -13.445 -4.200 -5.449 1.00 0.00 O ATOM 1472 CB TYR B 28 -15.825 -3.063 -3.179 1.00 0.00 C ATOM 1473 CG TYR B 28 -15.959 -4.568 -3.045 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.647 -5.308 -4.027 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.407 -5.228 -1.928 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -16.780 -6.703 -3.894 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.540 -6.621 -1.793 1.00 0.00 C ATOM 1478 CZ TYR B 28 -16.226 -7.360 -2.777 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.358 -8.728 -2.646 1.00 0.00 O ATOM 0 H TYR B 28 -15.649 -3.801 -6.135 1.00 0.00 H new ATOM 0 HA TYR B 28 -14.743 -1.642 -4.371 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.341 -2.656 -2.291 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -16.814 -2.609 -3.239 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -17.073 -4.805 -4.882 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -14.880 -4.662 -1.174 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.306 -7.270 -4.648 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -15.117 -7.124 -0.936 1.00 0.00 H new ATOM 0 HH TYR B 28 -15.918 -9.022 -1.821 1.00 0.00 H new ATOM 1489 N TYR B 29 -12.964 -3.465 -3.437 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.688 -4.216 -3.388 1.00 0.00 C ATOM 1491 C TYR B 29 -11.257 -4.328 -1.921 1.00 0.00 C ATOM 1492 O TYR B 29 -11.346 -3.379 -1.174 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.647 -3.442 -4.216 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.244 -3.848 -3.830 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -8.762 -5.120 -4.183 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.424 -2.954 -3.116 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.455 -5.501 -3.821 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -7.117 -3.333 -2.755 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.633 -4.608 -3.106 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.353 -4.983 -2.752 1.00 0.00 O ATOM 0 H TYR B 29 -13.169 -2.915 -2.603 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.791 -5.219 -3.801 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -10.806 -3.632 -5.277 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -10.776 -2.371 -4.061 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.393 -5.804 -4.731 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.797 -1.977 -2.845 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.083 -6.478 -4.092 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.486 -2.647 -2.209 1.00 0.00 H new ATOM 0 HH TYR B 29 -4.921 -4.251 -2.264 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.797 -5.472 -1.494 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.370 -5.617 -0.068 1.00 0.00 C ATOM 1512 C GLU B 30 -8.868 -5.336 0.040 1.00 0.00 C ATOM 1513 O GLU B 30 -8.131 -5.464 -0.916 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.664 -7.040 0.413 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.159 -7.186 0.705 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.443 -8.599 1.220 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -11.731 -9.038 2.108 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -13.364 -9.218 0.715 1.00 0.00 O ATOM 0 H GLU B 30 -10.698 -6.311 -2.066 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.919 -4.909 0.553 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.360 -7.761 -0.346 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.085 -7.258 1.311 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.470 -6.448 1.445 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.737 -6.994 -0.199 1.00 0.00 H new ATOM 1525 N THR B 31 -8.415 -4.942 1.198 1.00 0.00 N ATOM 1526 CA THR B 31 -6.963 -4.638 1.376 1.00 0.00 C ATOM 1527 C THR B 31 -6.150 -5.932 1.387 1.00 0.00 C ATOM 1528 O THR B 31 -6.629 -6.987 1.021 1.00 0.00 O ATOM 1529 CB THR B 31 -6.763 -3.910 2.707 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.488 -4.591 3.713 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.268 -2.470 2.582 1.00 0.00 C ATOM 0 H THR B 31 -8.988 -4.816 2.032 1.00 0.00 H new ATOM 0 HA THR B 31 -6.626 -4.012 0.550 1.00 0.00 H new ATOM 0 HB THR B 31 -5.705 -3.892 2.968 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.579 -5.536 3.468 1.00 0.00 H new ATOM 0 HG21 THR B 31 -7.126 -1.951 3.530 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.710 -1.956 1.799 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.328 -2.477 2.328 1.00 0.00 H new ATOM 1539 N SER B 32 -4.918 -5.851 1.811 1.00 0.00 N ATOM 1540 CA SER B 32 -4.053 -7.060 1.856 1.00 0.00 C ATOM 1541 C SER B 32 -4.292 -7.813 3.165 1.00 0.00 C ATOM 1542 O SER B 32 -5.382 -7.825 3.700 1.00 0.00 O ATOM 1543 CB SER B 32 -2.588 -6.631 1.784 1.00 0.00 C ATOM 1544 OG SER B 32 -2.393 -5.817 0.635 1.00 0.00 O ATOM 0 H SER B 32 -4.472 -4.991 2.130 1.00 0.00 H new ATOM 0 HA SER B 32 -4.292 -7.710 1.014 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.313 -6.081 2.684 1.00 0.00 H new ATOM 0 HB3 SER B 32 -1.942 -7.508 1.737 1.00 0.00 H new ATOM 0 HG SER B 32 -1.632 -6.157 0.119 1.00 0.00 H new ATOM 1550 N SER B 33 -3.271 -8.441 3.680 1.00 0.00 N ATOM 1551 CA SER B 33 -3.406 -9.205 4.957 1.00 0.00 C ATOM 1552 C SER B 33 -2.151 -8.985 5.794 1.00 0.00 C ATOM 1553 O SER B 33 -2.201 -8.907 7.005 1.00 0.00 O ATOM 1554 CB SER B 33 -3.534 -10.690 4.638 1.00 0.00 C ATOM 1555 OG SER B 33 -2.241 -11.232 4.400 1.00 0.00 O ATOM 0 H SER B 33 -2.338 -8.459 3.268 1.00 0.00 H new ATOM 0 HA SER B 33 -4.286 -8.867 5.503 1.00 0.00 H new ATOM 0 HB2 SER B 33 -4.013 -11.212 5.466 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.168 -10.833 3.763 1.00 0.00 H new ATOM 0 HG SER B 33 -2.319 -12.187 4.196 1.00 0.00 H new ATOM 1561 N LEU B 34 -1.025 -8.894 5.140 1.00 0.00 N ATOM 1562 CA LEU B 34 0.269 -8.682 5.856 1.00 0.00 C ATOM 1563 C LEU B 34 0.085 -7.687 7.003 1.00 0.00 C ATOM 1564 O LEU B 34 0.373 -7.979 8.146 1.00 0.00 O ATOM 1565 CB LEU B 34 1.304 -8.122 4.878 1.00 0.00 C ATOM 1566 CG LEU B 34 1.225 -8.864 3.542 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.387 -8.422 2.649 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.309 -10.374 3.785 1.00 0.00 C ATOM 0 H LEU B 34 -0.944 -8.958 4.125 1.00 0.00 H new ATOM 0 HA LEU B 34 0.607 -9.637 6.258 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.129 -7.058 4.722 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.304 -8.222 5.299 1.00 0.00 H new ATOM 0 HG LEU B 34 0.279 -8.632 3.052 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.334 -8.949 1.696 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.323 -7.348 2.474 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.332 -8.654 3.140 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.252 -10.900 2.832 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.253 -10.612 4.275 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.481 -10.687 4.421 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.392 -6.515 6.700 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.592 -5.499 7.768 1.00 0.00 C ATOM 1582 C CYS B 35 -1.746 -5.944 8.673 1.00 0.00 C ATOM 1583 O CYS B 35 -2.805 -6.307 8.213 1.00 0.00 O ATOM 1584 CB CYS B 35 -0.908 -4.140 7.132 1.00 0.00 C ATOM 1585 SG CYS B 35 -2.005 -4.366 5.710 1.00 0.00 S ATOM 0 H CYS B 35 -0.652 -6.216 5.760 1.00 0.00 H new ATOM 0 HA CYS B 35 0.315 -5.403 8.365 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.379 -3.486 7.866 1.00 0.00 H new ATOM 0 HB3 CYS B 35 0.015 -3.653 6.817 1.00 0.00 H new ATOM 1590 N SER B 36 -1.530 -5.943 9.959 1.00 0.00 N ATOM 1591 CA SER B 36 -2.597 -6.380 10.907 1.00 0.00 C ATOM 1592 C SER B 36 -3.789 -5.408 10.896 1.00 0.00 C ATOM 1593 O SER B 36 -4.435 -5.219 11.907 1.00 0.00 O ATOM 1594 CB SER B 36 -2.016 -6.444 12.320 1.00 0.00 C ATOM 1595 OG SER B 36 -1.067 -7.499 12.389 1.00 0.00 O ATOM 0 H SER B 36 -0.655 -5.657 10.398 1.00 0.00 H new ATOM 0 HA SER B 36 -2.953 -7.362 10.594 1.00 0.00 H new ATOM 0 HB2 SER B 36 -1.542 -5.496 12.574 1.00 0.00 H new ATOM 0 HB3 SER B 36 -2.812 -6.607 13.046 1.00 0.00 H new ATOM 0 HG SER B 36 -0.691 -7.542 13.293 1.00 0.00 H new ATOM 1601 N GLN B 37 -4.099 -4.782 9.786 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.259 -3.834 9.784 1.00 0.00 C ATOM 1603 C GLN B 37 -5.863 -3.701 8.378 1.00 0.00 C ATOM 1604 O GLN B 37 -5.818 -2.635 7.801 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.782 -2.459 10.260 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.487 -2.084 9.537 1.00 0.00 C ATOM 1607 CD GLN B 37 -3.190 -0.599 9.757 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -2.377 -0.021 9.063 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -3.818 0.046 10.700 1.00 0.00 N ATOM 0 H GLN B 37 -3.610 -4.883 8.897 1.00 0.00 H new ATOM 0 HA GLN B 37 -6.027 -4.224 10.452 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.549 -1.710 10.065 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.617 -2.473 11.337 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.661 -2.690 9.910 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.580 -2.293 8.471 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -4.500 -0.439 11.282 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -3.627 1.036 10.855 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.435 -4.771 7.869 1.00 0.00 N ATOM 1619 CA PRO B 38 -7.072 -4.746 6.536 1.00 0.00 C ATOM 1620 C PRO B 38 -8.322 -3.854 6.594 1.00 0.00 C ATOM 1621 O PRO B 38 -8.648 -3.286 7.617 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.448 -6.219 6.251 1.00 0.00 C ATOM 1623 CG PRO B 38 -7.170 -7.031 7.551 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.491 -6.077 8.560 1.00 0.00 C ATOM 0 HA PRO B 38 -6.426 -4.344 5.755 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.497 -6.299 5.966 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.861 -6.611 5.421 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -8.099 -7.426 7.962 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.527 -7.885 7.339 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -7.062 -6.010 9.486 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.493 -6.427 8.825 1.00 0.00 H new ATOM 1632 N ALA B 39 -9.018 -3.738 5.504 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.245 -2.905 5.465 1.00 0.00 C ATOM 1634 C ALA B 39 -10.922 -3.132 4.116 1.00 0.00 C ATOM 1635 O ALA B 39 -10.346 -3.730 3.227 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.871 -1.428 5.612 1.00 0.00 C ATOM 0 H ALA B 39 -8.784 -4.194 4.622 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.916 -3.177 6.279 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.775 -0.819 5.583 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.361 -1.275 6.563 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.211 -1.137 4.795 1.00 0.00 H new ATOM 1642 N VAL B 40 -12.121 -2.648 3.935 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.804 -2.828 2.617 1.00 0.00 C ATOM 1644 C VAL B 40 -12.616 -1.544 1.819 1.00 0.00 C ATOM 1645 O VAL B 40 -12.731 -0.454 2.345 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.299 -3.100 2.831 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -15.064 -2.882 1.521 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.482 -4.549 3.274 1.00 0.00 C ATOM 0 H VAL B 40 -12.657 -2.138 4.637 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.379 -3.676 2.081 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.683 -2.420 3.591 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -16.124 -3.077 1.682 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.931 -1.852 1.189 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.682 -3.561 0.759 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.542 -4.751 3.428 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -14.094 -5.216 2.505 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -13.941 -4.716 4.206 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.314 -1.672 0.557 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.095 -0.466 -0.304 1.00 0.00 C ATOM 1660 C VAL B 41 -13.193 -0.395 -1.369 1.00 0.00 C ATOM 1661 O VAL B 41 -13.343 -1.285 -2.177 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.718 -0.572 -0.966 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.252 0.814 -1.414 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.717 -1.135 0.046 1.00 0.00 C ATOM 0 H VAL B 41 -12.208 -2.566 0.077 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.134 0.440 0.301 1.00 0.00 H new ATOM 0 HB VAL B 41 -10.782 -1.230 -1.833 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.272 0.734 -1.884 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -10.965 1.224 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.186 1.473 -0.548 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.734 -1.213 -0.419 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.659 -0.471 0.908 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -10.044 -2.123 0.371 1.00 0.00 H new ATOM 1674 N PHE B 42 -13.977 0.651 -1.371 1.00 0.00 N ATOM 1675 CA PHE B 42 -15.080 0.759 -2.376 1.00 0.00 C ATOM 1676 C PHE B 42 -14.599 1.489 -3.631 1.00 0.00 C ATOM 1677 O PHE B 42 -13.930 2.500 -3.559 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.244 1.543 -1.765 1.00 0.00 C ATOM 1679 CG PHE B 42 -16.969 0.673 -0.766 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.678 -0.460 -1.207 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -16.941 0.997 0.603 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.359 -1.270 -0.279 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.622 0.189 1.531 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.332 -0.945 1.090 1.00 0.00 C ATOM 0 H PHE B 42 -13.903 1.435 -0.722 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.399 -0.246 -2.650 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -15.873 2.444 -1.276 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -16.930 1.865 -2.548 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.700 -0.708 -2.258 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.396 1.866 0.941 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -18.902 -2.140 -0.617 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.601 0.438 2.582 1.00 0.00 H new ATOM 0 HZ PHE B 42 -18.856 -1.565 1.803 1.00 0.00 H new ATOM 1694 N GLN B 43 -14.970 0.992 -4.783 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.579 1.651 -6.064 1.00 0.00 C ATOM 1696 C GLN B 43 -15.760 2.518 -6.514 1.00 0.00 C ATOM 1697 O GLN B 43 -16.868 2.030 -6.647 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.279 0.571 -7.106 1.00 0.00 C ATOM 1699 CG GLN B 43 -13.054 -0.236 -6.666 1.00 0.00 C ATOM 1700 CD GLN B 43 -12.964 -1.520 -7.492 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -13.377 -1.552 -8.634 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -12.437 -2.588 -6.959 1.00 0.00 N ATOM 0 H GLN B 43 -15.533 0.149 -4.891 1.00 0.00 H new ATOM 0 HA GLN B 43 -13.690 2.269 -5.940 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -15.140 -0.088 -7.221 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -14.096 1.029 -8.078 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -12.149 0.357 -6.797 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -13.126 -0.478 -5.606 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -12.090 -2.561 -6.000 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -12.372 -3.449 -7.501 1.00 0.00 H new ATOM 1711 N THR B 44 -15.556 3.810 -6.698 1.00 0.00 N ATOM 1712 CA THR B 44 -16.715 4.700 -7.075 1.00 0.00 C ATOM 1713 C THR B 44 -16.756 5.000 -8.574 1.00 0.00 C ATOM 1714 O THR B 44 -16.271 4.248 -9.395 1.00 0.00 O ATOM 1715 CB THR B 44 -16.601 6.026 -6.326 1.00 0.00 C ATOM 1716 OG1 THR B 44 -15.696 6.874 -7.015 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.082 5.763 -4.913 1.00 0.00 C ATOM 0 H THR B 44 -14.655 4.280 -6.606 1.00 0.00 H new ATOM 0 HA THR B 44 -17.628 4.169 -6.806 1.00 0.00 H new ATOM 0 HB THR B 44 -17.578 6.505 -6.270 1.00 0.00 H new ATOM 0 HG1 THR B 44 -15.986 7.806 -6.923 1.00 0.00 H new ATOM 0 HG21 THR B 44 -15.999 6.707 -4.374 1.00 0.00 H new ATOM 0 HG22 THR B 44 -16.774 5.105 -4.388 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.102 5.289 -4.968 1.00 0.00 H new ATOM 1725 N LYS B 45 -17.370 6.111 -8.918 1.00 0.00 N ATOM 1726 CA LYS B 45 -17.507 6.519 -10.350 1.00 0.00 C ATOM 1727 C LYS B 45 -16.661 7.766 -10.632 1.00 0.00 C ATOM 1728 O LYS B 45 -16.254 8.002 -11.752 1.00 0.00 O ATOM 1729 CB LYS B 45 -18.972 6.854 -10.623 1.00 0.00 C ATOM 1730 CG LYS B 45 -19.843 5.665 -10.240 1.00 0.00 C ATOM 1731 CD LYS B 45 -21.293 5.933 -10.664 1.00 0.00 C ATOM 1732 CE LYS B 45 -22.054 4.614 -10.734 1.00 0.00 C ATOM 1733 NZ LYS B 45 -21.673 3.884 -11.977 1.00 0.00 N ATOM 0 H LYS B 45 -17.788 6.761 -8.252 1.00 0.00 H new ATOM 0 HA LYS B 45 -17.168 5.703 -10.989 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -19.268 7.734 -10.052 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -19.111 7.096 -11.677 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -19.474 4.760 -10.722 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -19.793 5.496 -9.164 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -21.773 6.605 -9.952 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -21.314 6.429 -11.634 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -21.828 4.005 -9.859 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -23.128 4.801 -10.724 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -21.892 2.873 -11.867 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -22.207 4.268 -12.783 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -20.654 4.001 -12.150 1.00 0.00 H new ATOM 1747 N ARG B 46 -16.404 8.572 -9.625 1.00 0.00 N ATOM 1748 CA ARG B 46 -15.593 9.821 -9.823 1.00 0.00 C ATOM 1749 C ARG B 46 -14.434 9.813 -8.829 1.00 0.00 C ATOM 1750 O ARG B 46 -14.195 10.755 -8.107 1.00 0.00 O ATOM 1751 CB ARG B 46 -16.498 11.052 -9.596 1.00 0.00 C ATOM 1752 CG ARG B 46 -15.737 12.394 -9.753 1.00 0.00 C ATOM 1753 CD ARG B 46 -14.755 12.361 -10.934 1.00 0.00 C ATOM 1754 NE ARG B 46 -13.545 11.573 -10.577 1.00 0.00 N ATOM 1755 CZ ARG B 46 -12.743 11.145 -11.515 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -13.008 11.407 -12.765 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -11.679 10.457 -11.203 1.00 0.00 N ATOM 0 H ARG B 46 -16.723 8.417 -8.669 1.00 0.00 H new ATOM 0 HA ARG B 46 -15.193 9.864 -10.836 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -17.326 11.024 -10.304 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -16.931 11.000 -8.597 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -16.453 13.203 -9.899 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -15.193 12.612 -8.834 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -15.239 11.922 -11.806 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -14.469 13.377 -11.206 1.00 0.00 H new ATOM 0 HE ARG B 46 -13.341 11.367 -9.599 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -13.840 11.945 -13.008 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -12.383 11.074 -13.499 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -11.472 10.253 -10.225 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -11.054 10.124 -11.937 1.00 0.00 H new ATOM 1771 N SER B 47 -13.701 8.746 -8.799 1.00 0.00 N ATOM 1772 CA SER B 47 -12.549 8.667 -7.882 1.00 0.00 C ATOM 1773 C SER B 47 -11.713 7.460 -8.278 1.00 0.00 C ATOM 1774 O SER B 47 -11.250 7.345 -9.396 1.00 0.00 O ATOM 1775 CB SER B 47 -13.042 8.532 -6.436 1.00 0.00 C ATOM 1776 OG SER B 47 -13.558 7.227 -6.227 1.00 0.00 O ATOM 0 H SER B 47 -13.854 7.919 -9.376 1.00 0.00 H new ATOM 0 HA SER B 47 -11.945 9.572 -7.948 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.223 8.725 -5.743 1.00 0.00 H new ATOM 0 HB3 SER B 47 -13.813 9.275 -6.234 1.00 0.00 H new ATOM 0 HG SER B 47 -14.502 7.203 -6.489 1.00 0.00 H new ATOM 1782 N LYS B 48 -11.538 6.557 -7.380 1.00 0.00 N ATOM 1783 CA LYS B 48 -10.758 5.337 -7.672 1.00 0.00 C ATOM 1784 C LYS B 48 -11.179 4.298 -6.654 1.00 0.00 C ATOM 1785 O LYS B 48 -12.040 3.478 -6.901 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.258 5.619 -7.527 1.00 0.00 C ATOM 1787 CG LYS B 48 -8.785 6.530 -8.664 1.00 0.00 C ATOM 1788 CD LYS B 48 -7.256 6.491 -8.754 1.00 0.00 C ATOM 1789 CE LYS B 48 -6.794 7.276 -9.983 1.00 0.00 C ATOM 1790 NZ LYS B 48 -7.040 6.466 -11.210 1.00 0.00 N ATOM 0 H LYS B 48 -11.910 6.610 -6.432 1.00 0.00 H new ATOM 0 HA LYS B 48 -10.940 4.995 -8.691 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.060 6.091 -6.565 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -8.700 4.683 -7.544 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.223 6.207 -9.608 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.123 7.551 -8.489 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -6.818 6.917 -7.852 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -6.912 5.459 -8.819 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -7.330 8.223 -10.046 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -5.734 7.515 -9.898 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -6.521 6.881 -12.010 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -6.713 5.491 -11.054 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -8.058 6.460 -11.423 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.590 4.363 -5.493 1.00 0.00 N ATOM 1805 CA GLN B 49 -10.937 3.414 -4.401 1.00 0.00 C ATOM 1806 C GLN B 49 -11.061 4.213 -3.092 1.00 0.00 C ATOM 1807 O GLN B 49 -10.457 5.263 -2.930 1.00 0.00 O ATOM 1808 CB GLN B 49 -9.834 2.334 -4.288 1.00 0.00 C ATOM 1809 CG GLN B 49 -9.028 2.267 -5.589 1.00 0.00 C ATOM 1810 CD GLN B 49 -8.058 1.086 -5.528 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -6.864 1.256 -5.680 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -8.523 -0.115 -5.310 1.00 0.00 N ATOM 0 H GLN B 49 -9.871 5.045 -5.252 1.00 0.00 H new ATOM 0 HA GLN B 49 -11.882 2.912 -4.608 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -9.173 2.564 -3.453 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -10.284 1.363 -4.080 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -9.700 2.156 -6.440 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -8.478 3.196 -5.737 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -9.525 -0.259 -5.182 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -7.884 -0.909 -5.267 1.00 0.00 H new ATOM 1821 N VAL B 50 -11.852 3.739 -2.166 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.029 4.472 -0.873 1.00 0.00 C ATOM 1823 C VAL B 50 -12.046 3.469 0.271 1.00 0.00 C ATOM 1824 O VAL B 50 -12.837 2.554 0.287 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.353 5.243 -0.907 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.358 6.309 0.192 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.509 5.904 -2.281 1.00 0.00 C ATOM 0 H VAL B 50 -12.386 2.874 -2.248 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.207 5.173 -0.727 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.184 4.559 -0.736 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.301 6.855 0.165 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.244 5.830 1.164 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.532 7.002 0.030 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.449 6.455 -2.315 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -12.679 6.590 -2.451 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.510 5.137 -3.056 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.181 3.639 1.229 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.137 2.685 2.367 1.00 0.00 C ATOM 1839 C CYS B 51 -12.365 2.889 3.249 1.00 0.00 C ATOM 1840 O CYS B 51 -12.901 3.976 3.347 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.872 2.939 3.186 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.414 2.569 2.178 1.00 0.00 S ATOM 0 H CYS B 51 -10.502 4.399 1.272 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.130 1.663 1.989 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.844 3.977 3.518 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.875 2.318 4.082 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.827 1.841 3.882 1.00 0.00 N ATOM 1848 CA ALA B 52 -14.037 1.956 4.748 1.00 0.00 C ATOM 1849 C ALA B 52 -13.880 1.060 5.978 1.00 0.00 C ATOM 1850 O ALA B 52 -13.440 -0.071 5.885 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.263 1.505 3.953 1.00 0.00 C ATOM 0 H ALA B 52 -12.417 0.908 3.836 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.158 2.991 5.068 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.152 1.586 4.578 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.379 2.138 3.073 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.133 0.469 3.640 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.242 1.559 7.129 1.00 0.00 N ATOM 1858 CA ASP B 53 -14.123 0.743 8.372 1.00 0.00 C ATOM 1859 C ASP B 53 -15.148 -0.418 8.321 1.00 0.00 C ATOM 1860 O ASP B 53 -16.333 -0.152 8.279 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.440 1.630 9.577 1.00 0.00 C ATOM 1862 CG ASP B 53 -14.023 0.913 10.863 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -14.177 -0.296 10.921 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -13.555 1.585 11.767 1.00 0.00 O ATOM 0 H ASP B 53 -14.616 2.499 7.263 1.00 0.00 H new ATOM 0 HA ASP B 53 -13.113 0.341 8.455 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -13.913 2.580 9.491 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -15.506 1.857 9.604 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.705 -1.671 8.322 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.654 -2.808 8.272 1.00 0.00 C ATOM 1871 C PRO B 54 -16.595 -2.779 9.490 1.00 0.00 C ATOM 1872 O PRO B 54 -17.518 -3.563 9.590 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.767 -4.075 8.290 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.282 -3.612 8.337 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.276 -2.067 8.370 1.00 0.00 C ATOM 0 HA PRO B 54 -16.291 -2.773 7.388 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -15.002 -4.694 9.156 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -14.950 -4.683 7.404 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.783 -4.016 9.218 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.739 -3.979 7.466 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.794 -1.694 9.274 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.725 -1.657 7.523 1.00 0.00 H new ATOM 1883 N SER B 55 -16.355 -1.901 10.419 1.00 0.00 N ATOM 1884 CA SER B 55 -17.219 -1.844 11.635 1.00 0.00 C ATOM 1885 C SER B 55 -18.543 -1.138 11.320 1.00 0.00 C ATOM 1886 O SER B 55 -19.510 -1.277 12.041 1.00 0.00 O ATOM 1887 CB SER B 55 -16.489 -1.078 12.739 1.00 0.00 C ATOM 1888 OG SER B 55 -17.201 -1.220 13.961 1.00 0.00 O ATOM 0 H SER B 55 -15.598 -1.218 10.392 1.00 0.00 H new ATOM 0 HA SER B 55 -17.431 -2.861 11.964 1.00 0.00 H new ATOM 0 HB2 SER B 55 -15.474 -1.458 12.851 1.00 0.00 H new ATOM 0 HB3 SER B 55 -16.407 -0.024 12.473 1.00 0.00 H new ATOM 0 HG SER B 55 -16.734 -0.731 14.670 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.600 -0.381 10.258 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.872 0.325 9.919 1.00 0.00 C ATOM 1896 C GLU B 56 -20.817 -0.641 9.191 1.00 0.00 C ATOM 1897 O GLU B 56 -20.489 -1.203 8.167 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.558 1.529 9.025 1.00 0.00 C ATOM 1899 CG GLU B 56 -19.064 2.697 9.883 1.00 0.00 C ATOM 1900 CD GLU B 56 -18.659 3.862 8.977 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -17.989 3.613 7.989 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -19.026 4.983 9.288 1.00 0.00 O ATOM 0 H GLU B 56 -17.826 -0.220 9.613 1.00 0.00 H new ATOM 0 HA GLU B 56 -20.356 0.672 10.832 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.800 1.260 8.290 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.449 1.824 8.471 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -19.848 3.013 10.571 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -18.215 2.382 10.490 1.00 0.00 H new ATOM 1909 N SER B 57 -21.984 -0.843 9.737 1.00 0.00 N ATOM 1910 CA SER B 57 -22.971 -1.780 9.122 1.00 0.00 C ATOM 1911 C SER B 57 -23.160 -1.503 7.625 1.00 0.00 C ATOM 1912 O SER B 57 -23.256 -2.419 6.833 1.00 0.00 O ATOM 1913 CB SER B 57 -24.314 -1.626 9.833 1.00 0.00 C ATOM 1914 OG SER B 57 -24.118 -1.727 11.237 1.00 0.00 O ATOM 0 H SER B 57 -22.302 -0.393 10.595 1.00 0.00 H new ATOM 0 HA SER B 57 -22.589 -2.795 9.232 1.00 0.00 H new ATOM 0 HB2 SER B 57 -24.761 -0.663 9.585 1.00 0.00 H new ATOM 0 HB3 SER B 57 -25.008 -2.396 9.495 1.00 0.00 H new ATOM 0 HG SER B 57 -24.978 -1.627 11.695 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.241 -0.263 7.226 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.454 0.024 5.777 1.00 0.00 C ATOM 1922 C TRP B 58 -22.321 -0.590 4.959 1.00 0.00 C ATOM 1923 O TRP B 58 -22.506 -0.986 3.827 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.566 1.536 5.547 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.232 2.204 5.552 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -21.762 2.975 6.559 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.219 2.235 4.505 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.528 3.477 6.200 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.140 3.043 4.951 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.123 1.643 3.224 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.006 3.260 4.157 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -19.985 1.859 2.420 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -18.927 2.664 2.888 1.00 0.00 C ATOM 0 H TRP B 58 -23.170 0.555 7.831 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.390 -0.427 5.448 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.061 1.722 4.594 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.194 1.975 6.322 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.270 3.167 7.493 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -19.970 4.095 6.789 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -21.927 1.021 2.859 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.199 3.881 4.518 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -19.924 1.406 1.442 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.055 2.823 2.270 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.158 -0.706 5.528 1.00 0.00 N ATOM 1945 CA VAL B 59 -20.032 -1.322 4.778 1.00 0.00 C ATOM 1946 C VAL B 59 -20.329 -2.804 4.579 1.00 0.00 C ATOM 1947 O VAL B 59 -20.234 -3.327 3.488 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.744 -1.147 5.576 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.572 -1.794 4.832 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.485 0.346 5.755 1.00 0.00 C ATOM 0 H VAL B 59 -20.938 -0.402 6.477 1.00 0.00 H new ATOM 0 HA VAL B 59 -19.915 -0.842 3.806 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.843 -1.629 6.549 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.657 -1.663 5.410 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.768 -2.858 4.699 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.455 -1.322 3.857 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.567 0.490 6.324 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.384 0.818 4.777 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.319 0.798 6.291 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.701 -3.483 5.624 1.00 0.00 N ATOM 1961 CA GLN B 60 -21.018 -4.932 5.488 1.00 0.00 C ATOM 1962 C GLN B 60 -22.242 -5.100 4.584 1.00 0.00 C ATOM 1963 O GLN B 60 -22.310 -6.003 3.774 1.00 0.00 O ATOM 1964 CB GLN B 60 -21.314 -5.523 6.868 1.00 0.00 C ATOM 1965 CG GLN B 60 -21.438 -7.044 6.757 1.00 0.00 C ATOM 1966 CD GLN B 60 -21.865 -7.621 8.107 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -22.938 -7.326 8.596 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -21.065 -8.438 8.737 1.00 0.00 N ATOM 0 H GLN B 60 -20.800 -3.101 6.565 1.00 0.00 H new ATOM 0 HA GLN B 60 -20.167 -5.452 5.049 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -20.518 -5.263 7.565 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -22.237 -5.100 7.266 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -22.168 -7.305 5.991 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -20.485 -7.476 6.450 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -20.164 -8.686 8.328 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -21.341 -8.828 9.638 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.212 -4.237 4.722 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.437 -4.341 3.879 1.00 0.00 C ATOM 1979 C GLU B 61 -24.085 -4.097 2.410 1.00 0.00 C ATOM 1980 O GLU B 61 -24.470 -4.848 1.535 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.459 -3.296 4.336 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.774 -3.505 3.584 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.811 -2.494 4.079 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -27.806 -2.204 5.264 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -28.592 -2.030 3.266 1.00 0.00 O ATOM 0 H GLU B 61 -23.208 -3.462 5.385 1.00 0.00 H new ATOM 0 HA GLU B 61 -24.859 -5.341 3.984 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.625 -3.380 5.410 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -25.077 -2.292 4.150 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -26.616 -3.384 2.512 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -27.137 -4.521 3.740 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.361 -3.050 2.131 1.00 0.00 N ATOM 1993 CA TYR B 62 -22.988 -2.752 0.718 1.00 0.00 C ATOM 1994 C TYR B 62 -22.124 -3.889 0.162 1.00 0.00 C ATOM 1995 O TYR B 62 -22.233 -4.251 -0.994 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.205 -1.427 0.655 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.158 -0.240 0.648 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.189 -0.135 1.606 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -23.004 0.769 -0.326 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -25.059 0.972 1.587 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -23.876 1.874 -0.343 1.00 0.00 C ATOM 2002 CZ TYR B 62 -24.902 1.976 0.613 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.756 3.061 0.596 1.00 0.00 O ATOM 0 H TYR B 62 -23.010 -2.386 2.821 1.00 0.00 H new ATOM 0 HA TYR B 62 -23.894 -2.662 0.119 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.532 -1.355 1.510 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.585 -1.407 -0.241 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.311 -0.904 2.354 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.215 0.693 -1.060 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.848 1.051 2.321 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -23.757 2.644 -1.091 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.509 3.660 -0.139 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.273 -4.463 0.968 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.424 -5.576 0.471 1.00 0.00 C ATOM 2015 C VAL B 63 -21.329 -6.755 0.145 1.00 0.00 C ATOM 2016 O VAL B 63 -21.155 -7.438 -0.843 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.416 -5.974 1.553 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -18.724 -7.286 1.167 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.365 -4.870 1.696 1.00 0.00 C ATOM 0 H VAL B 63 -21.131 -4.209 1.946 1.00 0.00 H new ATOM 0 HA VAL B 63 -19.877 -5.268 -0.420 1.00 0.00 H new ATOM 0 HB VAL B 63 -19.941 -6.111 2.499 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -18.009 -7.562 1.942 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.470 -8.074 1.064 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.201 -7.156 0.220 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.646 -5.150 2.466 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -17.847 -4.736 0.746 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -18.853 -3.937 1.978 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.302 -6.992 0.975 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.228 -8.120 0.727 1.00 0.00 C ATOM 2031 C TYR B 64 -23.970 -7.876 -0.585 1.00 0.00 C ATOM 2032 O TYR B 64 -24.140 -8.762 -1.395 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.235 -8.209 1.879 1.00 0.00 C ATOM 2034 CG TYR B 64 -24.878 -9.576 1.892 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.173 -10.681 2.409 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.182 -9.748 1.388 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -24.772 -11.956 2.421 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -26.780 -11.022 1.400 1.00 0.00 C ATOM 2039 CZ TYR B 64 -26.075 -12.126 1.917 1.00 0.00 C ATOM 2040 OH TYR B 64 -26.662 -13.374 1.930 1.00 0.00 O ATOM 0 H TYR B 64 -22.494 -6.449 1.817 1.00 0.00 H new ATOM 0 HA TYR B 64 -22.669 -9.053 0.662 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -23.733 -8.024 2.828 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -24.998 -7.439 1.767 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.173 -10.550 2.796 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -26.723 -8.902 0.992 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.231 -12.803 2.817 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -27.780 -11.153 1.013 1.00 0.00 H new ATOM 0 HH TYR B 64 -27.562 -13.316 1.547 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.411 -6.670 -0.790 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.149 -6.341 -2.041 1.00 0.00 C ATOM 2052 C ASP B 65 -24.233 -6.557 -3.249 1.00 0.00 C ATOM 2053 O ASP B 65 -24.668 -6.968 -4.307 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.593 -4.876 -1.986 1.00 0.00 C ATOM 2055 CG ASP B 65 -26.832 -4.743 -1.097 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -27.921 -4.976 -1.595 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -26.670 -4.411 0.065 1.00 0.00 O ATOM 0 H ASP B 65 -24.292 -5.892 -0.142 1.00 0.00 H new ATOM 0 HA ASP B 65 -26.022 -6.987 -2.136 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -24.786 -4.256 -1.596 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -25.814 -4.516 -2.991 1.00 0.00 H new ATOM 2062 N LEU B 66 -22.971 -6.277 -3.098 1.00 0.00 N ATOM 2063 CA LEU B 66 -22.019 -6.457 -4.230 1.00 0.00 C ATOM 2064 C LEU B 66 -21.776 -7.951 -4.463 1.00 0.00 C ATOM 2065 O LEU B 66 -21.501 -8.380 -5.566 1.00 0.00 O ATOM 2066 CB LEU B 66 -20.698 -5.762 -3.875 1.00 0.00 C ATOM 2067 CG LEU B 66 -20.807 -4.244 -4.138 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -19.749 -3.502 -3.317 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.574 -3.939 -5.628 1.00 0.00 C ATOM 0 H LEU B 66 -22.554 -5.929 -2.235 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.432 -6.021 -5.140 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.455 -5.941 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -19.886 -6.184 -4.467 1.00 0.00 H new ATOM 0 HG LEU B 66 -21.806 -3.916 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -19.828 -2.431 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -19.908 -3.698 -2.257 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -18.756 -3.848 -3.605 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -20.654 -2.865 -5.796 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -19.580 -4.278 -5.918 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.323 -4.457 -6.227 1.00 0.00 H new ATOM 2081 N GLU B 67 -21.878 -8.743 -3.436 1.00 0.00 N ATOM 2082 CA GLU B 67 -21.655 -10.209 -3.596 1.00 0.00 C ATOM 2083 C GLU B 67 -22.837 -10.819 -4.348 1.00 0.00 C ATOM 2084 O GLU B 67 -22.701 -11.799 -5.052 1.00 0.00 O ATOM 2085 CB GLU B 67 -21.547 -10.859 -2.216 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.262 -10.392 -1.525 1.00 0.00 C ATOM 2087 CD GLU B 67 -19.066 -11.182 -2.064 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -19.234 -11.869 -3.058 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -18.003 -11.087 -1.472 1.00 0.00 O ATOM 0 H GLU B 67 -22.107 -8.440 -2.489 1.00 0.00 H new ATOM 0 HA GLU B 67 -20.735 -10.380 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.414 -10.595 -1.610 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -21.545 -11.945 -2.314 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -20.113 -9.326 -1.697 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.346 -10.532 -0.447 1.00 0.00 H new