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: A 5 SER OG : rot 30:sc= -2! USER MOD Set 1.2: B 44 THR OG1 : rot 147:sc= 1.44 USER MOD Set 1.3: B 47 SER OG : rot -76:sc= 0.646! USER MOD Set 2.1: A 44 THR OG1 : rot 147:sc= 1.4 USER MOD Set 2.2: A 47 SER OG : rot -68:sc= 0.491! USER MOD Set 2.3: B 5 SER OG : rot 27:sc= -2.03! USER MOD Single : A 9 THR OG1 : rot -33:sc= -0.325 USER MOD Single : A 14 SER OG : rot -77:sc= 1.5 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -139:sc= 0.43 USER MOD Single : A 19 LYS NZ :NH3+ 156:sc= -0.735 (180deg=-1.33) USER MOD Single : A 23 ASN : amide:sc= -2.31! X(o=-2.3!,f=-2.5) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 14:sc= -1.2 USER MOD Single : A 32 SER OG : rot 180:sc= 0.295 USER MOD Single : A 33 SER OG : rot -60:sc= -0.142 USER MOD Single : A 36 SER OG : rot -48:sc= 0.611 USER MOD Single : A 37 GLN : amide:sc=-0.00744 X(o=-0.0074,f=-0.014) USER MOD Single : A 43 GLN : amide:sc= -3.03! C(o=-3!,f=-5.1!) USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -4.23! (180deg=-5.03!) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -0.0115 (180deg=-0.195) USER MOD Single : A 49 GLN : amide:sc= -3.98! C(o=-4!,f=-10!) USER MOD Single : A 55 SER OG : rot -135:sc= -1.39 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0376 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 169:sc= -0.696 USER MOD Single : B 14 SER OG : rot -84:sc= 1.51 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot -136:sc= 0.428 USER MOD Single : B 19 LYS NZ :NH3+ 159:sc= -0.693 (180deg=-1.39) USER MOD Single : B 23 ASN : amide:sc= -1.81! K(o=-1.8!,f=-2.6) 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 28:sc= -1.08 USER MOD Single : B 32 SER OG : rot 180:sc= 0.307 USER MOD Single : B 33 SER OG : rot 180:sc= -0.145 USER MOD Single : B 36 SER OG : rot -50:sc= 0.611 USER MOD Single : B 37 GLN : amide:sc= 0.0491 X(o=0.049,f=-0.017) USER MOD Single : B 43 GLN : amide:sc= -3.08! C(o=-3.1!,f=-5!) USER MOD Single : B 45 LYS NZ :NH3+ 159:sc= -4.17! (180deg=-5.16!) USER MOD Single : B 48 LYS NZ :NH3+ -164:sc= -0.0105 (180deg=-0.207) USER MOD Single : B 49 GLN : amide:sc= -3.96! C(o=-4!,f=-9.8!) USER MOD Single : B 55 SER OG : rot -132:sc= -1.29! USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 62 TYR OH : rot 180:sc= -0.0431 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 5 -10.838 9.665 -3.767 1.00 0.00 N ATOM 52 CA SER A 5 -11.473 9.987 -2.453 1.00 0.00 C ATOM 53 C SER A 5 -10.507 9.628 -1.311 1.00 0.00 C ATOM 54 O SER A 5 -9.938 10.491 -0.673 1.00 0.00 O ATOM 55 CB SER A 5 -12.790 9.195 -2.322 1.00 0.00 C ATOM 56 OG SER A 5 -13.029 8.488 -3.527 1.00 0.00 O ATOM 0 HA SER A 5 -11.693 11.053 -2.396 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.729 8.500 -1.484 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.617 9.873 -2.114 1.00 0.00 H new ATOM 0 HG SER A 5 -12.174 8.254 -3.944 1.00 0.00 H new ATOM 62 N ASP A 6 -10.318 8.360 -1.055 1.00 0.00 N ATOM 63 CA ASP A 6 -9.389 7.943 0.041 1.00 0.00 C ATOM 64 C ASP A 6 -8.853 6.530 -0.244 1.00 0.00 C ATOM 65 O ASP A 6 -9.129 5.614 0.505 1.00 0.00 O ATOM 66 CB ASP A 6 -10.143 7.931 1.380 1.00 0.00 C ATOM 67 CG ASP A 6 -9.139 7.940 2.536 1.00 0.00 C ATOM 68 OD1 ASP A 6 -8.673 9.013 2.880 1.00 0.00 O ATOM 69 OD2 ASP A 6 -8.854 6.874 3.055 1.00 0.00 O ATOM 0 H ASP A 6 -10.766 7.594 -1.557 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.559 8.648 0.092 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.798 8.799 1.448 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.778 7.047 1.443 1.00 0.00 H new ATOM 74 N PRO A 7 -8.103 6.382 -1.317 1.00 0.00 N ATOM 75 CA PRO A 7 -7.540 5.069 -1.684 1.00 0.00 C ATOM 76 C PRO A 7 -6.602 4.564 -0.564 1.00 0.00 C ATOM 77 O PRO A 7 -6.250 5.320 0.319 1.00 0.00 O ATOM 78 CB PRO A 7 -6.763 5.321 -3.000 1.00 0.00 C ATOM 79 CG PRO A 7 -6.880 6.840 -3.330 1.00 0.00 C ATOM 80 CD PRO A 7 -7.762 7.488 -2.240 1.00 0.00 C ATOM 0 HA PRO A 7 -8.306 4.304 -1.814 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.718 5.032 -2.889 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.176 4.720 -3.810 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.894 7.304 -3.351 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.322 6.985 -4.316 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.228 8.284 -1.722 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.659 7.933 -2.671 1.00 0.00 H new ATOM 88 N PRO A 8 -6.216 3.304 -0.636 1.00 0.00 N ATOM 89 CA PRO A 8 -5.310 2.712 0.372 1.00 0.00 C ATOM 90 C PRO A 8 -3.950 3.427 0.335 1.00 0.00 C ATOM 91 O PRO A 8 -3.838 4.546 -0.129 1.00 0.00 O ATOM 92 CB PRO A 8 -5.173 1.226 -0.044 1.00 0.00 C ATOM 93 CG PRO A 8 -5.890 1.060 -1.415 1.00 0.00 C ATOM 94 CD PRO A 8 -6.643 2.375 -1.706 1.00 0.00 C ATOM 0 HA PRO A 8 -5.687 2.810 1.390 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.123 0.945 -0.123 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.622 0.574 0.706 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.167 0.850 -2.203 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.583 0.219 -1.386 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.390 2.765 -2.692 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.722 2.224 -1.690 1.00 0.00 H new ATOM 102 N THR A 9 -2.918 2.788 0.820 1.00 0.00 N ATOM 103 CA THR A 9 -1.568 3.424 0.813 1.00 0.00 C ATOM 104 C THR A 9 -0.492 2.340 0.848 1.00 0.00 C ATOM 105 O THR A 9 -0.497 1.468 1.694 1.00 0.00 O ATOM 106 CB THR A 9 -1.423 4.326 2.040 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.600 5.109 2.188 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.213 5.245 1.864 1.00 0.00 C ATOM 0 H THR A 9 -2.952 1.851 1.222 1.00 0.00 H new ATOM 0 HA THR A 9 -1.453 4.020 -0.092 1.00 0.00 H new ATOM 0 HB THR A 9 -1.279 3.712 2.929 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.967 5.318 1.304 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.113 5.886 2.740 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.688 4.642 1.750 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.351 5.862 0.976 1.00 0.00 H new ATOM 116 N ALA A 10 0.432 2.392 -0.069 1.00 0.00 N ATOM 117 CA ALA A 10 1.514 1.373 -0.102 1.00 0.00 C ATOM 118 C ALA A 10 2.432 1.555 1.106 1.00 0.00 C ATOM 119 O ALA A 10 3.479 2.166 1.013 1.00 0.00 O ATOM 120 CB ALA A 10 2.323 1.546 -1.386 1.00 0.00 C ATOM 0 H ALA A 10 0.484 3.101 -0.801 1.00 0.00 H new ATOM 0 HA ALA A 10 1.076 0.375 -0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.119 0.802 -1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.669 1.415 -2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.759 2.545 -1.410 1.00 0.00 H new ATOM 126 N CYS A 11 2.052 1.019 2.240 1.00 0.00 N ATOM 127 CA CYS A 11 2.897 1.142 3.469 1.00 0.00 C ATOM 128 C CYS A 11 3.506 -0.224 3.785 1.00 0.00 C ATOM 129 O CYS A 11 2.851 -1.243 3.688 1.00 0.00 O ATOM 130 CB CYS A 11 2.024 1.598 4.642 1.00 0.00 C ATOM 131 SG CYS A 11 1.116 3.093 4.172 1.00 0.00 S ATOM 0 H CYS A 11 1.185 0.497 2.368 1.00 0.00 H new ATOM 0 HA CYS A 11 3.690 1.872 3.306 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.326 0.808 4.919 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.645 1.796 5.516 1.00 0.00 H new ATOM 136 N CYS A 12 4.759 -0.259 4.149 1.00 0.00 N ATOM 137 CA CYS A 12 5.407 -1.565 4.457 1.00 0.00 C ATOM 138 C CYS A 12 4.894 -2.092 5.798 1.00 0.00 C ATOM 139 O CYS A 12 4.653 -1.340 6.722 1.00 0.00 O ATOM 140 CB CYS A 12 6.924 -1.383 4.529 1.00 0.00 C ATOM 141 SG CYS A 12 7.535 -0.781 2.937 1.00 0.00 S ATOM 0 H CYS A 12 5.361 0.559 4.246 1.00 0.00 H new ATOM 0 HA CYS A 12 5.164 -2.279 3.670 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.179 -0.677 5.319 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.403 -2.329 4.780 1.00 0.00 H new ATOM 146 N PHE A 13 4.737 -3.386 5.910 1.00 0.00 N ATOM 147 CA PHE A 13 4.249 -3.990 7.188 1.00 0.00 C ATOM 148 C PHE A 13 5.436 -4.631 7.910 1.00 0.00 C ATOM 149 O PHE A 13 5.402 -4.875 9.099 1.00 0.00 O ATOM 150 CB PHE A 13 3.209 -5.068 6.872 1.00 0.00 C ATOM 151 CG PHE A 13 3.869 -6.187 6.105 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.128 -6.038 4.730 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.235 -7.375 6.767 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.752 -7.077 4.015 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.859 -8.414 6.054 1.00 0.00 C ATOM 156 CZ PHE A 13 5.118 -8.267 4.677 1.00 0.00 C ATOM 0 H PHE A 13 4.927 -4.056 5.165 1.00 0.00 H new ATOM 0 HA PHE A 13 3.798 -3.222 7.817 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.774 -5.451 7.795 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.393 -4.643 6.287 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.848 -5.126 4.223 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.036 -7.488 7.823 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.951 -6.963 2.960 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.140 -9.325 6.562 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.596 -9.065 4.129 1.00 0.00 H new ATOM 166 N SER A 14 6.488 -4.905 7.186 1.00 0.00 N ATOM 167 CA SER A 14 7.691 -5.530 7.804 1.00 0.00 C ATOM 168 C SER A 14 8.915 -5.205 6.947 1.00 0.00 C ATOM 169 O SER A 14 8.964 -4.189 6.282 1.00 0.00 O ATOM 170 CB SER A 14 7.501 -7.046 7.873 1.00 0.00 C ATOM 171 OG SER A 14 7.499 -7.579 6.555 1.00 0.00 O ATOM 0 H SER A 14 6.565 -4.721 6.186 1.00 0.00 H new ATOM 0 HA SER A 14 7.833 -5.141 8.812 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.301 -7.498 8.459 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.564 -7.284 8.376 1.00 0.00 H new ATOM 0 HG SER A 14 6.633 -7.402 6.132 1.00 0.00 H new ATOM 177 N TYR A 15 9.909 -6.054 6.955 1.00 0.00 N ATOM 178 CA TYR A 15 11.130 -5.779 6.139 1.00 0.00 C ATOM 179 C TYR A 15 11.836 -7.094 5.811 1.00 0.00 C ATOM 180 O TYR A 15 11.592 -8.110 6.430 1.00 0.00 O ATOM 181 CB TYR A 15 12.084 -4.881 6.937 1.00 0.00 C ATOM 182 CG TYR A 15 11.304 -3.792 7.630 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.961 -2.617 6.934 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.920 -3.951 8.975 1.00 0.00 C ATOM 185 CE1 TYR A 15 10.232 -1.603 7.583 1.00 0.00 C ATOM 186 CE2 TYR A 15 10.191 -2.936 9.625 1.00 0.00 C ATOM 187 CZ TYR A 15 9.847 -1.761 8.928 1.00 0.00 C ATOM 188 OH TYR A 15 9.134 -0.766 9.563 1.00 0.00 O ATOM 0 H TYR A 15 9.929 -6.923 7.489 1.00 0.00 H new ATOM 0 HA TYR A 15 10.840 -5.280 5.214 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.627 -5.475 7.672 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.826 -4.441 6.271 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.257 -2.494 5.903 1.00 0.00 H new ATOM 0 HD2 TYR A 15 11.185 -4.852 9.509 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.968 -0.703 7.049 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.896 -3.058 10.657 1.00 0.00 H new ATOM 0 HH TYR A 15 8.948 -1.035 10.487 1.00 0.00 H new ATOM 198 N THR A 16 12.716 -7.080 4.845 1.00 0.00 N ATOM 199 CA THR A 16 13.442 -8.333 4.494 1.00 0.00 C ATOM 200 C THR A 16 14.269 -8.781 5.701 1.00 0.00 C ATOM 201 O THR A 16 13.846 -8.650 6.833 1.00 0.00 O ATOM 202 CB THR A 16 14.346 -8.094 3.276 1.00 0.00 C ATOM 203 OG1 THR A 16 15.023 -9.297 2.947 1.00 0.00 O ATOM 204 CG2 THR A 16 15.368 -6.998 3.580 1.00 0.00 C ATOM 0 H THR A 16 12.961 -6.261 4.288 1.00 0.00 H new ATOM 0 HA THR A 16 12.728 -9.116 4.237 1.00 0.00 H new ATOM 0 HB THR A 16 13.730 -7.777 2.435 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.952 -9.095 2.709 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.002 -6.839 2.708 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.847 -6.072 3.823 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.985 -7.300 4.426 1.00 0.00 H new ATOM 212 N ALA A 17 15.442 -9.310 5.483 1.00 0.00 N ATOM 213 CA ALA A 17 16.279 -9.763 6.634 1.00 0.00 C ATOM 214 C ALA A 17 17.756 -9.626 6.274 1.00 0.00 C ATOM 215 O ALA A 17 18.572 -9.241 7.089 1.00 0.00 O ATOM 216 CB ALA A 17 15.960 -11.226 6.942 1.00 0.00 C ATOM 0 H ALA A 17 15.857 -9.448 4.562 1.00 0.00 H new ATOM 0 HA ALA A 17 16.063 -9.150 7.509 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.568 -11.562 7.782 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.905 -11.322 7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 17 16.179 -11.838 6.067 1.00 0.00 H new ATOM 222 N ARG A 18 18.108 -9.943 5.058 1.00 0.00 N ATOM 223 CA ARG A 18 19.535 -9.841 4.629 1.00 0.00 C ATOM 224 C ARG A 18 19.752 -8.527 3.874 1.00 0.00 C ATOM 225 O ARG A 18 18.951 -8.137 3.047 1.00 0.00 O ATOM 226 CB ARG A 18 19.865 -11.020 3.708 1.00 0.00 C ATOM 227 CG ARG A 18 20.139 -12.268 4.554 1.00 0.00 C ATOM 228 CD ARG A 18 20.051 -13.512 3.675 1.00 0.00 C ATOM 229 NE ARG A 18 21.120 -13.465 2.638 1.00 0.00 N ATOM 230 CZ ARG A 18 21.428 -14.543 1.970 1.00 0.00 C ATOM 231 NH1 ARG A 18 20.799 -15.661 2.206 1.00 0.00 N ATOM 232 NH2 ARG A 18 22.366 -14.502 1.063 1.00 0.00 N ATOM 0 H ARG A 18 17.465 -10.271 4.337 1.00 0.00 H new ATOM 0 HA ARG A 18 20.184 -9.863 5.504 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.036 -11.205 3.025 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.735 -10.784 3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 18 21.127 -12.201 5.009 1.00 0.00 H new ATOM 0 HG3 ARG A 18 19.417 -12.334 5.368 1.00 0.00 H new ATOM 0 HD2 ARG A 18 20.160 -14.409 4.284 1.00 0.00 H new ATOM 0 HD3 ARG A 18 19.071 -13.566 3.200 1.00 0.00 H new ATOM 0 HE ARG A 18 21.611 -12.591 2.450 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.065 -15.694 2.914 1.00 0.00 H new ATOM 0 HH12 ARG A 18 21.041 -16.503 1.683 1.00 0.00 H new ATOM 0 HH21 ARG A 18 22.858 -13.628 0.877 1.00 0.00 H new ATOM 0 HH22 ARG A 18 22.607 -15.344 0.540 1.00 0.00 H new ATOM 246 N LYS A 19 20.834 -7.848 4.141 1.00 0.00 N ATOM 247 CA LYS A 19 21.103 -6.570 3.426 1.00 0.00 C ATOM 248 C LYS A 19 21.293 -6.877 1.936 1.00 0.00 C ATOM 249 O LYS A 19 21.978 -7.810 1.566 1.00 0.00 O ATOM 250 CB LYS A 19 22.368 -5.915 4.013 1.00 0.00 C ATOM 251 CG LYS A 19 22.969 -4.906 3.020 1.00 0.00 C ATOM 252 CD LYS A 19 24.030 -4.059 3.724 1.00 0.00 C ATOM 253 CE LYS A 19 25.146 -4.953 4.267 1.00 0.00 C ATOM 254 NZ LYS A 19 25.471 -6.018 3.274 1.00 0.00 N ATOM 0 H LYS A 19 21.542 -8.123 4.822 1.00 0.00 H new ATOM 0 HA LYS A 19 20.269 -5.879 3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.122 -5.411 4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 19 23.105 -6.683 4.250 1.00 0.00 H new ATOM 0 HG2 LYS A 19 23.412 -5.433 2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.184 -4.264 2.619 1.00 0.00 H new ATOM 0 HD2 LYS A 19 24.445 -3.330 3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 19 23.575 -3.497 4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 19 26.033 -4.356 4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 19 24.836 -5.405 5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 26.443 -6.353 3.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 24.809 -6.812 3.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.387 -5.633 2.312 1.00 0.00 H new ATOM 268 N LEU A 20 20.691 -6.099 1.081 1.00 0.00 N ATOM 269 CA LEU A 20 20.834 -6.346 -0.378 1.00 0.00 C ATOM 270 C LEU A 20 22.242 -5.904 -0.840 1.00 0.00 C ATOM 271 O LEU A 20 22.593 -4.758 -0.636 1.00 0.00 O ATOM 272 CB LEU A 20 19.799 -5.509 -1.132 1.00 0.00 C ATOM 273 CG LEU A 20 18.426 -5.651 -0.475 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.383 -4.963 -1.355 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.067 -7.133 -0.323 1.00 0.00 C ATOM 0 H LEU A 20 20.106 -5.302 1.331 1.00 0.00 H new ATOM 0 HA LEU A 20 20.688 -7.407 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.101 -4.462 -1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.748 -5.831 -2.172 1.00 0.00 H new ATOM 0 HG LEU A 20 18.446 -5.189 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.399 -5.058 -0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.634 -3.907 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.371 -5.432 -2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.087 -7.224 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.044 -7.604 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.814 -7.626 0.299 1.00 0.00 H new ATOM 287 N PRO A 21 23.020 -6.779 -1.462 1.00 0.00 N ATOM 288 CA PRO A 21 24.358 -6.381 -1.936 1.00 0.00 C ATOM 289 C PRO A 21 24.237 -5.158 -2.849 1.00 0.00 C ATOM 290 O PRO A 21 23.291 -5.028 -3.597 1.00 0.00 O ATOM 291 CB PRO A 21 24.886 -7.603 -2.722 1.00 0.00 C ATOM 292 CG PRO A 21 23.893 -8.773 -2.472 1.00 0.00 C ATOM 293 CD PRO A 21 22.665 -8.191 -1.741 1.00 0.00 C ATOM 0 HA PRO A 21 25.029 -6.109 -1.121 1.00 0.00 H new ATOM 0 HB2 PRO A 21 24.954 -7.376 -3.786 1.00 0.00 H new ATOM 0 HB3 PRO A 21 25.889 -7.871 -2.389 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.596 -9.232 -3.415 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.362 -9.553 -1.872 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.769 -8.258 -2.358 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.459 -8.736 -0.820 1.00 0.00 H new ATOM 301 N ARG A 22 25.192 -4.273 -2.811 1.00 0.00 N ATOM 302 CA ARG A 22 25.124 -3.084 -3.702 1.00 0.00 C ATOM 303 C ARG A 22 24.850 -3.557 -5.131 1.00 0.00 C ATOM 304 O ARG A 22 24.162 -2.909 -5.893 1.00 0.00 O ATOM 305 CB ARG A 22 26.450 -2.330 -3.658 1.00 0.00 C ATOM 306 CG ARG A 22 26.338 -1.072 -4.530 1.00 0.00 C ATOM 307 CD ARG A 22 27.598 -0.196 -4.379 1.00 0.00 C ATOM 308 NE ARG A 22 27.203 1.248 -4.306 1.00 0.00 N ATOM 309 CZ ARG A 22 26.351 1.763 -5.155 1.00 0.00 C ATOM 310 NH1 ARG A 22 25.929 1.070 -6.176 1.00 0.00 N ATOM 311 NH2 ARG A 22 25.955 2.996 -5.004 1.00 0.00 N ATOM 0 H ARG A 22 26.012 -4.321 -2.206 1.00 0.00 H new ATOM 0 HA ARG A 22 24.327 -2.418 -3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.694 -2.056 -2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 22 27.258 -2.967 -4.018 1.00 0.00 H new ATOM 0 HG2 ARG A 22 26.209 -1.357 -5.574 1.00 0.00 H new ATOM 0 HG3 ARG A 22 25.455 -0.501 -4.244 1.00 0.00 H new ATOM 0 HD2 ARG A 22 28.144 -0.480 -3.479 1.00 0.00 H new ATOM 0 HD3 ARG A 22 28.268 -0.357 -5.223 1.00 0.00 H new ATOM 0 HE ARG A 22 27.606 1.841 -3.580 1.00 0.00 H new ATOM 0 HH11 ARG A 22 26.263 0.117 -6.319 1.00 0.00 H new ATOM 0 HH12 ARG A 22 25.265 1.481 -6.832 1.00 0.00 H new ATOM 0 HH21 ARG A 22 26.309 3.554 -4.227 1.00 0.00 H new ATOM 0 HH22 ARG A 22 25.291 3.403 -5.663 1.00 0.00 H new ATOM 325 N ASN A 23 25.385 -4.694 -5.491 1.00 0.00 N ATOM 326 CA ASN A 23 25.160 -5.227 -6.865 1.00 0.00 C ATOM 327 C ASN A 23 23.729 -5.759 -6.984 1.00 0.00 C ATOM 328 O ASN A 23 23.414 -6.513 -7.883 1.00 0.00 O ATOM 329 CB ASN A 23 26.151 -6.359 -7.144 1.00 0.00 C ATOM 330 CG ASN A 23 25.861 -7.537 -6.214 1.00 0.00 C ATOM 331 OD1 ASN A 23 26.643 -7.837 -5.333 1.00 0.00 O ATOM 332 ND2 ASN A 23 24.763 -8.224 -6.373 1.00 0.00 N ATOM 0 H ASN A 23 25.969 -5.277 -4.891 1.00 0.00 H new ATOM 0 HA ASN A 23 25.309 -4.427 -7.590 1.00 0.00 H new ATOM 0 HB2 ASN A 23 26.073 -6.676 -8.184 1.00 0.00 H new ATOM 0 HB3 ASN A 23 27.172 -6.007 -6.994 1.00 0.00 H new ATOM 0 HD21 ASN A 23 24.561 -9.012 -5.758 1.00 0.00 H new ATOM 0 HD22 ASN A 23 24.107 -7.973 -7.112 1.00 0.00 H new ATOM 339 N PHE A 24 22.861 -5.381 -6.078 1.00 0.00 N ATOM 340 CA PHE A 24 21.446 -5.872 -6.131 1.00 0.00 C ATOM 341 C PHE A 24 20.501 -4.717 -5.786 1.00 0.00 C ATOM 342 O PHE A 24 19.417 -4.917 -5.277 1.00 0.00 O ATOM 343 CB PHE A 24 21.276 -7.017 -5.114 1.00 0.00 C ATOM 344 CG PHE A 24 20.082 -7.886 -5.472 1.00 0.00 C ATOM 345 CD1 PHE A 24 20.037 -8.555 -6.716 1.00 0.00 C ATOM 346 CD2 PHE A 24 19.018 -8.037 -4.559 1.00 0.00 C ATOM 347 CE1 PHE A 24 18.933 -9.368 -7.039 1.00 0.00 C ATOM 348 CE2 PHE A 24 17.916 -8.850 -4.886 1.00 0.00 C ATOM 349 CZ PHE A 24 17.874 -9.515 -6.125 1.00 0.00 C ATOM 0 H PHE A 24 23.070 -4.753 -5.302 1.00 0.00 H new ATOM 0 HA PHE A 24 21.211 -6.239 -7.130 1.00 0.00 H new ATOM 0 HB2 PHE A 24 22.180 -7.626 -5.091 1.00 0.00 H new ATOM 0 HB3 PHE A 24 21.144 -6.604 -4.114 1.00 0.00 H new ATOM 0 HD1 PHE A 24 20.849 -8.443 -7.419 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.048 -7.528 -3.607 1.00 0.00 H new ATOM 0 HE1 PHE A 24 18.900 -9.879 -7.990 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.102 -8.963 -4.185 1.00 0.00 H new ATOM 0 HZ PHE A 24 17.028 -10.139 -6.374 1.00 0.00 H new ATOM 359 N VAL A 25 20.909 -3.505 -6.068 1.00 0.00 N ATOM 360 CA VAL A 25 20.049 -2.322 -5.770 1.00 0.00 C ATOM 361 C VAL A 25 20.339 -1.226 -6.798 1.00 0.00 C ATOM 362 O VAL A 25 21.177 -0.372 -6.589 1.00 0.00 O ATOM 363 CB VAL A 25 20.367 -1.791 -4.370 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.389 -0.671 -4.013 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.231 -2.918 -3.345 1.00 0.00 C ATOM 0 H VAL A 25 21.808 -3.284 -6.495 1.00 0.00 H new ATOM 0 HA VAL A 25 19.000 -2.614 -5.817 1.00 0.00 H new ATOM 0 HB VAL A 25 21.387 -1.408 -4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.616 -0.294 -3.016 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.482 0.138 -4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.370 -1.058 -4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.458 -2.535 -2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 25 19.211 -3.303 -3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 25 20.926 -3.720 -3.592 1.00 0.00 H new ATOM 375 N VAL A 26 19.658 -1.247 -7.913 1.00 0.00 N ATOM 376 CA VAL A 26 19.899 -0.213 -8.956 1.00 0.00 C ATOM 377 C VAL A 26 19.120 1.053 -8.617 1.00 0.00 C ATOM 378 O VAL A 26 19.328 2.095 -9.206 1.00 0.00 O ATOM 379 CB VAL A 26 19.430 -0.748 -10.307 1.00 0.00 C ATOM 380 CG1 VAL A 26 20.131 -2.072 -10.599 1.00 0.00 C ATOM 381 CG2 VAL A 26 17.916 -0.971 -10.270 1.00 0.00 C ATOM 0 H VAL A 26 18.944 -1.938 -8.145 1.00 0.00 H new ATOM 0 HA VAL A 26 20.963 0.020 -8.998 1.00 0.00 H new ATOM 0 HB VAL A 26 19.672 -0.027 -11.088 1.00 0.00 H new ATOM 0 HG11 VAL A 26 19.797 -2.455 -11.563 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.209 -1.915 -10.624 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.888 -2.793 -9.818 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.581 -1.353 -11.234 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.673 -1.692 -9.490 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.414 -0.027 -10.060 1.00 0.00 H new ATOM 391 N ASP A 27 18.222 0.977 -7.680 1.00 0.00 N ATOM 392 CA ASP A 27 17.435 2.185 -7.320 1.00 0.00 C ATOM 393 C ASP A 27 16.638 1.912 -6.051 1.00 0.00 C ATOM 394 O ASP A 27 16.796 0.891 -5.413 1.00 0.00 O ATOM 395 CB ASP A 27 16.471 2.518 -8.462 1.00 0.00 C ATOM 396 CG ASP A 27 15.902 3.923 -8.258 1.00 0.00 C ATOM 397 OD1 ASP A 27 16.628 4.769 -7.762 1.00 0.00 O ATOM 398 OD2 ASP A 27 14.749 4.130 -8.602 1.00 0.00 O ATOM 0 H ASP A 27 17.999 0.135 -7.149 1.00 0.00 H new ATOM 0 HA ASP A 27 18.110 3.024 -7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.990 2.460 -9.419 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.662 1.788 -8.494 1.00 0.00 H new ATOM 403 N TYR A 28 15.776 2.817 -5.681 1.00 0.00 N ATOM 404 CA TYR A 28 14.965 2.607 -4.455 1.00 0.00 C ATOM 405 C TYR A 28 13.685 3.430 -4.539 1.00 0.00 C ATOM 406 O TYR A 28 13.392 4.056 -5.538 1.00 0.00 O ATOM 407 CB TYR A 28 15.769 3.003 -3.212 1.00 0.00 C ATOM 408 CG TYR A 28 15.892 4.511 -3.106 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.576 5.240 -4.100 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.331 5.187 -2.002 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.697 6.638 -3.991 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.452 6.583 -1.892 1.00 0.00 C ATOM 413 CZ TYR A 28 16.135 7.310 -2.886 1.00 0.00 C ATOM 414 OH TYR A 28 16.256 8.681 -2.780 1.00 0.00 O ATOM 0 H TYR A 28 15.600 3.692 -6.175 1.00 0.00 H new ATOM 0 HA TYR A 28 14.706 1.551 -4.377 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.283 2.610 -2.319 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.762 2.555 -3.258 1.00 0.00 H new ATOM 0 HD1 TYR A 28 17.007 4.725 -4.946 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.807 4.630 -1.239 1.00 0.00 H new ATOM 0 HE1 TYR A 28 17.220 7.196 -4.753 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.021 7.098 -1.046 1.00 0.00 H new ATOM 0 HH TYR A 28 15.812 8.986 -1.961 1.00 0.00 H new ATOM 424 N TYR A 29 12.920 3.413 -3.495 1.00 0.00 N ATOM 425 CA TYR A 29 11.643 4.166 -3.485 1.00 0.00 C ATOM 426 C TYR A 29 11.198 4.333 -2.027 1.00 0.00 C ATOM 427 O TYR A 29 11.369 3.444 -1.223 1.00 0.00 O ATOM 428 CB TYR A 29 10.615 3.361 -4.299 1.00 0.00 C ATOM 429 CG TYR A 29 9.205 3.772 -3.946 1.00 0.00 C ATOM 430 CD1 TYR A 29 8.827 5.122 -4.040 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.271 2.803 -3.524 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.514 5.509 -3.711 1.00 0.00 C ATOM 433 CE2 TYR A 29 6.959 3.190 -3.196 1.00 0.00 C ATOM 434 CZ TYR A 29 6.579 4.544 -3.289 1.00 0.00 C ATOM 435 OH TYR A 29 5.292 4.923 -2.967 1.00 0.00 O ATOM 0 H TYR A 29 13.126 2.903 -2.636 1.00 0.00 H new ATOM 0 HA TYR A 29 11.747 5.155 -3.930 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.787 3.516 -5.364 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.746 2.296 -4.106 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.543 5.862 -4.364 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.563 1.766 -3.453 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.223 6.547 -3.782 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.243 2.449 -2.873 1.00 0.00 H new ATOM 0 HH TYR A 29 4.777 4.134 -2.697 1.00 0.00 H new ATOM 445 N GLU A 30 10.640 5.460 -1.670 1.00 0.00 N ATOM 446 CA GLU A 30 10.198 5.664 -0.252 1.00 0.00 C ATOM 447 C GLU A 30 8.689 5.416 -0.147 1.00 0.00 C ATOM 448 O GLU A 30 7.962 5.521 -1.115 1.00 0.00 O ATOM 449 CB GLU A 30 10.515 7.097 0.179 1.00 0.00 C ATOM 450 CG GLU A 30 12.011 7.227 0.472 1.00 0.00 C ATOM 451 CD GLU A 30 12.371 8.704 0.653 1.00 0.00 C ATOM 452 OE1 GLU A 30 12.215 9.451 -0.298 1.00 0.00 O ATOM 453 OE2 GLU A 30 12.795 9.060 1.740 1.00 0.00 O ATOM 0 H GLU A 30 10.470 6.248 -2.295 1.00 0.00 H new ATOM 0 HA GLU A 30 10.725 4.966 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.226 7.796 -0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.937 7.357 1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.266 6.667 1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.591 6.798 -0.345 1.00 0.00 H new ATOM 460 N THR A 31 8.220 5.079 1.023 1.00 0.00 N ATOM 461 CA THR A 31 6.761 4.810 1.203 1.00 0.00 C ATOM 462 C THR A 31 5.969 6.117 1.170 1.00 0.00 C ATOM 463 O THR A 31 6.465 7.152 0.770 1.00 0.00 O ATOM 464 CB THR A 31 6.543 4.133 2.556 1.00 0.00 C ATOM 465 OG1 THR A 31 7.219 4.876 3.554 1.00 0.00 O ATOM 466 CG2 THR A 31 7.090 2.707 2.500 1.00 0.00 C ATOM 0 H THR A 31 8.785 4.977 1.866 1.00 0.00 H new ATOM 0 HA THR A 31 6.417 4.165 0.394 1.00 0.00 H new ATOM 0 HB THR A 31 5.480 4.095 2.792 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.474 5.751 3.194 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.937 2.220 3.463 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.568 2.147 1.724 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.156 2.735 2.273 1.00 0.00 H new ATOM 474 N SER A 32 4.735 6.066 1.594 1.00 0.00 N ATOM 475 CA SER A 32 3.885 7.289 1.603 1.00 0.00 C ATOM 476 C SER A 32 4.095 8.049 2.911 1.00 0.00 C ATOM 477 O SER A 32 5.191 8.134 3.429 1.00 0.00 O ATOM 478 CB SER A 32 2.416 6.881 1.491 1.00 0.00 C ATOM 479 OG SER A 32 1.631 8.029 1.200 1.00 0.00 O ATOM 0 H SER A 32 4.277 5.222 1.937 1.00 0.00 H new ATOM 0 HA SER A 32 4.158 7.927 0.763 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.293 6.134 0.707 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.081 6.424 2.422 1.00 0.00 H new ATOM 0 HG SER A 32 0.689 7.771 1.126 1.00 0.00 H new ATOM 485 N SER A 33 3.044 8.604 3.444 1.00 0.00 N ATOM 486 CA SER A 33 3.149 9.372 4.722 1.00 0.00 C ATOM 487 C SER A 33 1.886 9.139 5.545 1.00 0.00 C ATOM 488 O SER A 33 1.924 9.060 6.756 1.00 0.00 O ATOM 489 CB SER A 33 3.263 10.858 4.401 1.00 0.00 C ATOM 490 OG SER A 33 1.967 11.382 4.143 1.00 0.00 O ATOM 0 H SER A 33 2.105 8.560 3.047 1.00 0.00 H new ATOM 0 HA SER A 33 4.025 9.044 5.282 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.723 11.388 5.235 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.907 11.007 3.535 1.00 0.00 H new ATOM 0 HG SER A 33 1.570 10.912 3.380 1.00 0.00 H new ATOM 496 N LEU A 34 0.768 9.041 4.878 1.00 0.00 N ATOM 497 CA LEU A 34 -0.532 8.819 5.578 1.00 0.00 C ATOM 498 C LEU A 34 -0.355 7.834 6.735 1.00 0.00 C ATOM 499 O LEU A 34 -0.659 8.133 7.873 1.00 0.00 O ATOM 500 CB LEU A 34 -1.552 8.245 4.590 1.00 0.00 C ATOM 501 CG LEU A 34 -1.455 8.974 3.250 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.602 8.517 2.343 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.551 10.485 3.477 1.00 0.00 C ATOM 0 H LEU A 34 0.699 9.106 3.862 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.884 9.773 5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.371 7.180 4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.559 8.346 4.995 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.500 8.743 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.537 9.034 1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.531 7.442 2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.556 8.749 2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.481 11.002 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.504 10.722 3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.735 10.808 4.124 1.00 0.00 H new ATOM 515 N CYS A 35 0.129 6.661 6.448 1.00 0.00 N ATOM 516 CA CYS A 35 0.323 5.655 7.528 1.00 0.00 C ATOM 517 C CYS A 35 1.471 6.104 8.438 1.00 0.00 C ATOM 518 O CYS A 35 2.536 6.461 7.984 1.00 0.00 O ATOM 519 CB CYS A 35 0.638 4.288 6.908 1.00 0.00 C ATOM 520 SG CYS A 35 1.738 4.496 5.487 1.00 0.00 S ATOM 0 H CYS A 35 0.399 6.354 5.513 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.588 5.569 8.120 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.106 3.641 7.650 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.285 3.799 6.596 1.00 0.00 H new ATOM 525 N SER A 36 1.243 6.115 9.722 1.00 0.00 N ATOM 526 CA SER A 36 2.301 6.559 10.678 1.00 0.00 C ATOM 527 C SER A 36 3.496 5.592 10.685 1.00 0.00 C ATOM 528 O SER A 36 4.144 5.427 11.700 1.00 0.00 O ATOM 529 CB SER A 36 1.707 6.629 12.084 1.00 0.00 C ATOM 530 OG SER A 36 2.627 7.278 12.951 1.00 0.00 O ATOM 0 H SER A 36 0.363 5.834 10.155 1.00 0.00 H new ATOM 0 HA SER A 36 2.657 7.539 10.361 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.762 7.172 12.065 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.491 5.625 12.450 1.00 0.00 H new ATOM 0 HG SER A 36 3.518 6.887 12.835 1.00 0.00 H new ATOM 536 N GLN A 37 3.812 4.948 9.589 1.00 0.00 N ATOM 537 CA GLN A 37 4.979 4.008 9.607 1.00 0.00 C ATOM 538 C GLN A 37 5.589 3.858 8.206 1.00 0.00 C ATOM 539 O GLN A 37 5.543 2.788 7.641 1.00 0.00 O ATOM 540 CB GLN A 37 4.514 2.635 10.104 1.00 0.00 C ATOM 541 CG GLN A 37 3.221 2.235 9.389 1.00 0.00 C ATOM 542 CD GLN A 37 2.918 0.762 9.672 1.00 0.00 C ATOM 543 OE1 GLN A 37 2.314 0.436 10.673 1.00 0.00 O ATOM 544 NE2 GLN A 37 3.316 -0.148 8.824 1.00 0.00 N ATOM 0 H GLN A 37 3.324 5.028 8.697 1.00 0.00 H new ATOM 0 HA GLN A 37 5.740 4.415 10.273 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.288 1.890 9.919 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.350 2.664 11.181 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.396 2.860 9.731 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.321 2.397 8.316 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.824 0.126 7.983 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.119 -1.133 9.003 1.00 0.00 H new ATOM 553 N PRO A 38 6.168 4.922 7.690 1.00 0.00 N ATOM 554 CA PRO A 38 6.812 4.884 6.361 1.00 0.00 C ATOM 555 C PRO A 38 8.091 4.036 6.446 1.00 0.00 C ATOM 556 O PRO A 38 8.482 3.584 7.504 1.00 0.00 O ATOM 557 CB PRO A 38 7.145 6.361 6.045 1.00 0.00 C ATOM 558 CG PRO A 38 6.886 7.183 7.341 1.00 0.00 C ATOM 559 CD PRO A 38 6.222 6.236 8.368 1.00 0.00 C ATOM 0 HA PRO A 38 6.183 4.443 5.588 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.183 6.461 5.728 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.525 6.728 5.227 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.821 7.581 7.735 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.240 8.035 7.132 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.802 6.182 9.289 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.225 6.583 8.639 1.00 0.00 H new ATOM 567 N ALA A 39 8.741 3.828 5.340 1.00 0.00 N ATOM 568 CA ALA A 39 9.991 3.029 5.333 1.00 0.00 C ATOM 569 C ALA A 39 10.676 3.228 3.985 1.00 0.00 C ATOM 570 O ALA A 39 10.121 3.830 3.088 1.00 0.00 O ATOM 571 CB ALA A 39 9.657 1.547 5.521 1.00 0.00 C ATOM 0 H ALA A 39 8.455 4.183 4.428 1.00 0.00 H new ATOM 0 HA ALA A 39 10.646 3.349 6.143 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.577 0.963 5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.145 1.407 6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.011 1.214 4.709 1.00 0.00 H new ATOM 577 N VAL A 40 11.865 2.715 3.819 1.00 0.00 N ATOM 578 CA VAL A 40 12.565 2.865 2.507 1.00 0.00 C ATOM 579 C VAL A 40 12.356 1.574 1.718 1.00 0.00 C ATOM 580 O VAL A 40 12.284 0.497 2.278 1.00 0.00 O ATOM 581 CB VAL A 40 14.063 3.105 2.735 1.00 0.00 C ATOM 582 CG1 VAL A 40 14.830 2.874 1.429 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.276 4.550 3.189 1.00 0.00 C ATOM 0 H VAL A 40 12.382 2.200 4.531 1.00 0.00 H new ATOM 0 HA VAL A 40 12.164 3.716 1.957 1.00 0.00 H new ATOM 0 HB VAL A 40 14.427 2.415 3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.893 3.046 1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.676 1.848 1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.467 3.563 0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.339 4.727 3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.909 5.231 2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.732 4.724 4.117 1.00 0.00 H new ATOM 593 N VAL A 41 12.238 1.684 0.424 1.00 0.00 N ATOM 594 CA VAL A 41 12.010 0.481 -0.437 1.00 0.00 C ATOM 595 C VAL A 41 13.142 0.358 -1.462 1.00 0.00 C ATOM 596 O VAL A 41 13.348 1.232 -2.276 1.00 0.00 O ATOM 597 CB VAL A 41 10.667 0.650 -1.148 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.182 -0.693 -1.680 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.641 1.193 -0.150 1.00 0.00 C ATOM 0 H VAL A 41 12.290 2.567 -0.084 1.00 0.00 H new ATOM 0 HA VAL A 41 11.996 -0.424 0.170 1.00 0.00 H new ATOM 0 HB VAL A 41 10.787 1.342 -1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.225 -0.560 -2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.912 -1.090 -2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.062 -1.391 -0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.679 1.317 -0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.533 0.493 0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.979 2.157 0.231 1.00 0.00 H new ATOM 609 N PHE A 42 13.890 -0.714 -1.426 1.00 0.00 N ATOM 610 CA PHE A 42 15.017 -0.873 -2.398 1.00 0.00 C ATOM 611 C PHE A 42 14.544 -1.612 -3.653 1.00 0.00 C ATOM 612 O PHE A 42 13.844 -2.602 -3.582 1.00 0.00 O ATOM 613 CB PHE A 42 16.147 -1.683 -1.750 1.00 0.00 C ATOM 614 CG PHE A 42 16.879 -0.834 -0.733 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.595 0.307 -1.151 1.00 0.00 C ATOM 616 CD2 PHE A 42 16.856 -1.188 0.630 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.283 1.091 -0.206 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.546 -0.405 1.574 1.00 0.00 C ATOM 619 CZ PHE A 42 18.259 0.735 1.156 1.00 0.00 C ATOM 0 H PHE A 42 13.771 -1.485 -0.769 1.00 0.00 H new ATOM 0 HA PHE A 42 15.374 0.119 -2.675 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.738 -2.571 -1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.842 -2.028 -2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.615 0.579 -2.196 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.308 -2.062 0.951 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.830 1.966 -0.526 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.529 -0.678 2.619 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.788 1.337 1.881 1.00 0.00 H new ATOM 629 N GLN A 43 14.955 -1.144 -4.803 1.00 0.00 N ATOM 630 CA GLN A 43 14.579 -1.812 -6.086 1.00 0.00 C ATOM 631 C GLN A 43 15.781 -2.652 -6.533 1.00 0.00 C ATOM 632 O GLN A 43 16.870 -2.131 -6.695 1.00 0.00 O ATOM 633 CB GLN A 43 14.260 -0.737 -7.126 1.00 0.00 C ATOM 634 CG GLN A 43 13.042 0.069 -6.668 1.00 0.00 C ATOM 635 CD GLN A 43 12.941 1.354 -7.492 1.00 0.00 C ATOM 636 OE1 GLN A 43 12.522 2.379 -6.992 1.00 0.00 O ATOM 637 NE2 GLN A 43 13.308 1.344 -8.745 1.00 0.00 N ATOM 0 H GLN A 43 15.543 -0.317 -4.909 1.00 0.00 H new ATOM 0 HA GLN A 43 13.703 -2.450 -5.966 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.118 -0.077 -7.258 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.061 -1.199 -8.093 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.135 -0.524 -6.786 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.129 0.310 -5.609 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.660 0.484 -9.166 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.243 2.196 -9.302 1.00 0.00 H new ATOM 646 N THR A 44 15.620 -3.954 -6.689 1.00 0.00 N ATOM 647 CA THR A 44 16.804 -4.810 -7.066 1.00 0.00 C ATOM 648 C THR A 44 16.836 -5.140 -8.559 1.00 0.00 C ATOM 649 O THR A 44 16.229 -4.481 -9.379 1.00 0.00 O ATOM 650 CB THR A 44 16.746 -6.123 -6.291 1.00 0.00 C ATOM 651 OG1 THR A 44 15.857 -7.011 -6.947 1.00 0.00 O ATOM 652 CG2 THR A 44 16.251 -5.857 -4.867 1.00 0.00 C ATOM 0 H THR A 44 14.738 -4.453 -6.574 1.00 0.00 H new ATOM 0 HA THR A 44 17.701 -4.241 -6.822 1.00 0.00 H new ATOM 0 HB THR A 44 17.740 -6.567 -6.247 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.175 -7.932 -6.839 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.210 -6.796 -4.315 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.934 -5.171 -4.366 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.256 -5.414 -4.905 1.00 0.00 H new ATOM 660 N LYS A 45 17.573 -6.175 -8.899 1.00 0.00 N ATOM 661 CA LYS A 45 17.712 -6.604 -10.324 1.00 0.00 C ATOM 662 C LYS A 45 16.938 -7.904 -10.562 1.00 0.00 C ATOM 663 O LYS A 45 16.564 -8.211 -11.677 1.00 0.00 O ATOM 664 CB LYS A 45 19.184 -6.875 -10.622 1.00 0.00 C ATOM 665 CG LYS A 45 20.011 -5.646 -10.276 1.00 0.00 C ATOM 666 CD LYS A 45 21.471 -5.892 -10.669 1.00 0.00 C ATOM 667 CE LYS A 45 22.194 -4.557 -10.790 1.00 0.00 C ATOM 668 NZ LYS A 45 21.746 -3.858 -12.027 1.00 0.00 N ATOM 0 H LYS A 45 18.092 -6.748 -8.234 1.00 0.00 H new ATOM 0 HA LYS A 45 17.321 -5.815 -10.967 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.530 -7.733 -10.045 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.312 -7.127 -11.675 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.623 -4.773 -10.801 1.00 0.00 H new ATOM 0 HG3 LYS A 45 19.940 -5.434 -9.209 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.960 -6.517 -9.921 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.519 -6.431 -11.615 1.00 0.00 H new ATOM 0 HE2 LYS A 45 21.988 -3.939 -9.916 1.00 0.00 H new ATOM 0 HE3 LYS A 45 23.272 -4.717 -10.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 22.019 -2.856 -11.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 22.194 -4.298 -12.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 20.712 -3.931 -12.112 1.00 0.00 H new ATOM 682 N ARG A 46 16.716 -8.683 -9.526 1.00 0.00 N ATOM 683 CA ARG A 46 15.989 -9.984 -9.692 1.00 0.00 C ATOM 684 C ARG A 46 14.865 -10.048 -8.654 1.00 0.00 C ATOM 685 O ARG A 46 14.744 -10.987 -7.897 1.00 0.00 O ATOM 686 CB ARG A 46 16.982 -11.145 -9.482 1.00 0.00 C ATOM 687 CG ARG A 46 16.489 -12.434 -10.175 1.00 0.00 C ATOM 688 CD ARG A 46 15.351 -13.091 -9.385 1.00 0.00 C ATOM 689 NE ARG A 46 15.188 -14.500 -9.842 1.00 0.00 N ATOM 690 CZ ARG A 46 14.496 -15.342 -9.126 1.00 0.00 C ATOM 691 NH1 ARG A 46 13.940 -14.950 -8.012 1.00 0.00 N ATOM 692 NH2 ARG A 46 14.358 -16.577 -9.524 1.00 0.00 N ATOM 0 H ARG A 46 17.008 -8.472 -8.572 1.00 0.00 H new ATOM 0 HA ARG A 46 15.562 -10.063 -10.692 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.959 -10.867 -9.877 1.00 0.00 H new ATOM 0 HB3 ARG A 46 17.110 -11.329 -8.415 1.00 0.00 H new ATOM 0 HG2 ARG A 46 16.147 -12.199 -11.183 1.00 0.00 H new ATOM 0 HG3 ARG A 46 17.317 -13.135 -10.275 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.571 -13.065 -8.318 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.423 -12.538 -9.533 1.00 0.00 H new ATOM 0 HE ARG A 46 15.618 -14.806 -10.715 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.047 -13.984 -7.701 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.399 -15.609 -7.453 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.791 -16.884 -10.395 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.817 -17.236 -8.964 1.00 0.00 H new ATOM 706 N SER A 47 14.043 -9.046 -8.621 1.00 0.00 N ATOM 707 CA SER A 47 12.919 -9.027 -7.664 1.00 0.00 C ATOM 708 C SER A 47 11.996 -7.882 -8.054 1.00 0.00 C ATOM 709 O SER A 47 11.510 -7.815 -9.165 1.00 0.00 O ATOM 710 CB SER A 47 13.431 -8.852 -6.233 1.00 0.00 C ATOM 711 OG SER A 47 13.819 -7.504 -6.016 1.00 0.00 O ATOM 0 H SER A 47 14.105 -8.228 -9.227 1.00 0.00 H new ATOM 0 HA SER A 47 12.377 -9.972 -7.698 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.653 -9.134 -5.523 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.278 -9.515 -6.058 1.00 0.00 H new ATOM 0 HG SER A 47 14.618 -7.304 -6.548 1.00 0.00 H new ATOM 717 N LYS A 48 11.772 -6.974 -7.166 1.00 0.00 N ATOM 718 CA LYS A 48 10.900 -5.817 -7.476 1.00 0.00 C ATOM 719 C LYS A 48 11.226 -4.711 -6.489 1.00 0.00 C ATOM 720 O LYS A 48 12.089 -3.885 -6.715 1.00 0.00 O ATOM 721 CB LYS A 48 9.426 -6.211 -7.318 1.00 0.00 C ATOM 722 CG LYS A 48 9.007 -7.161 -8.447 1.00 0.00 C ATOM 723 CD LYS A 48 7.479 -7.220 -8.528 1.00 0.00 C ATOM 724 CE LYS A 48 7.064 -8.083 -9.720 1.00 0.00 C ATOM 725 NZ LYS A 48 7.319 -7.337 -10.985 1.00 0.00 N ATOM 0 H LYS A 48 12.160 -6.980 -6.223 1.00 0.00 H new ATOM 0 HA LYS A 48 11.068 -5.488 -8.501 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.272 -6.692 -6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.800 -5.319 -7.333 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.419 -6.818 -9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.410 -8.157 -8.266 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.071 -7.634 -7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.071 -6.215 -8.634 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.623 -9.019 -9.718 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.008 -8.343 -9.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.801 -7.789 -11.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.996 -6.354 -10.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.338 -7.346 -11.194 1.00 0.00 H new ATOM 739 N GLN A 49 10.538 -4.714 -5.380 1.00 0.00 N ATOM 740 CA GLN A 49 10.759 -3.693 -4.322 1.00 0.00 C ATOM 741 C GLN A 49 10.963 -4.425 -2.988 1.00 0.00 C ATOM 742 O GLN A 49 10.386 -5.469 -2.752 1.00 0.00 O ATOM 743 CB GLN A 49 9.503 -2.792 -4.248 1.00 0.00 C ATOM 744 CG GLN A 49 9.716 -1.473 -5.011 1.00 0.00 C ATOM 745 CD GLN A 49 9.650 -1.733 -6.518 1.00 0.00 C ATOM 746 OE1 GLN A 49 9.444 -2.851 -6.945 1.00 0.00 O ATOM 747 NE2 GLN A 49 9.812 -0.739 -7.348 1.00 0.00 N ATOM 0 H GLN A 49 9.815 -5.399 -5.160 1.00 0.00 H new ATOM 0 HA GLN A 49 11.633 -3.079 -4.539 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.647 -3.322 -4.666 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.267 -2.578 -3.206 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.954 -0.748 -4.723 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.682 -1.042 -4.748 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.985 0.201 -6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.765 -0.902 -8.354 1.00 0.00 H new ATOM 756 N VAL A 50 11.777 -3.884 -2.118 1.00 0.00 N ATOM 757 CA VAL A 50 12.018 -4.542 -0.795 1.00 0.00 C ATOM 758 C VAL A 50 11.993 -3.486 0.299 1.00 0.00 C ATOM 759 O VAL A 50 12.771 -2.557 0.295 1.00 0.00 O ATOM 760 CB VAL A 50 13.383 -5.235 -0.804 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.476 -6.184 0.396 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.546 -6.022 -2.116 1.00 0.00 C ATOM 0 H VAL A 50 12.287 -3.013 -2.266 1.00 0.00 H new ATOM 0 HA VAL A 50 11.241 -5.283 -0.610 1.00 0.00 H new ATOM 0 HB VAL A 50 14.178 -4.492 -0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.447 -6.680 0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.361 -5.616 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.686 -6.932 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.517 -6.517 -2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.757 -6.770 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.479 -5.337 -2.962 1.00 0.00 H new ATOM 772 N CYS A 51 11.108 -3.628 1.240 1.00 0.00 N ATOM 773 CA CYS A 51 11.025 -2.632 2.337 1.00 0.00 C ATOM 774 C CYS A 51 12.220 -2.814 3.267 1.00 0.00 C ATOM 775 O CYS A 51 12.709 -3.910 3.460 1.00 0.00 O ATOM 776 CB CYS A 51 9.728 -2.853 3.114 1.00 0.00 C ATOM 777 SG CYS A 51 8.318 -2.424 2.063 1.00 0.00 S ATOM 0 H CYS A 51 10.436 -4.394 1.297 1.00 0.00 H new ATOM 0 HA CYS A 51 11.035 -1.622 1.928 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.655 -3.893 3.433 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.723 -2.241 4.016 1.00 0.00 H new ATOM 782 N ALA A 52 12.704 -1.741 3.835 1.00 0.00 N ATOM 783 CA ALA A 52 13.883 -1.833 4.749 1.00 0.00 C ATOM 784 C ALA A 52 13.668 -0.908 5.948 1.00 0.00 C ATOM 785 O ALA A 52 13.271 0.233 5.805 1.00 0.00 O ATOM 786 CB ALA A 52 15.141 -1.400 3.994 1.00 0.00 C ATOM 0 H ALA A 52 12.332 -0.800 3.705 1.00 0.00 H new ATOM 0 HA ALA A 52 13.999 -2.860 5.096 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.004 -1.465 4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.293 -2.054 3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.024 -0.372 3.651 1.00 0.00 H new ATOM 792 N ASP A 53 13.925 -1.395 7.132 1.00 0.00 N ATOM 793 CA ASP A 53 13.734 -0.554 8.347 1.00 0.00 C ATOM 794 C ASP A 53 14.785 0.588 8.351 1.00 0.00 C ATOM 795 O ASP A 53 15.964 0.301 8.401 1.00 0.00 O ATOM 796 CB ASP A 53 13.939 -1.431 9.584 1.00 0.00 C ATOM 797 CG ASP A 53 13.916 -0.560 10.842 1.00 0.00 C ATOM 798 OD1 ASP A 53 13.590 0.610 10.722 1.00 0.00 O ATOM 799 OD2 ASP A 53 14.224 -1.078 11.903 1.00 0.00 O ATOM 0 H ASP A 53 14.260 -2.342 7.310 1.00 0.00 H new ATOM 0 HA ASP A 53 12.732 -0.125 8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.156 -2.188 9.639 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.889 -1.960 9.513 1.00 0.00 H new ATOM 804 N PRO A 54 14.365 1.850 8.293 1.00 0.00 N ATOM 805 CA PRO A 54 15.332 2.972 8.288 1.00 0.00 C ATOM 806 C PRO A 54 16.178 2.964 9.573 1.00 0.00 C ATOM 807 O PRO A 54 17.072 3.771 9.742 1.00 0.00 O ATOM 808 CB PRO A 54 14.467 4.251 8.213 1.00 0.00 C ATOM 809 CG PRO A 54 12.976 3.810 8.159 1.00 0.00 C ATOM 810 CD PRO A 54 12.943 2.268 8.227 1.00 0.00 C ATOM 0 HA PRO A 54 16.031 2.904 7.454 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.647 4.886 9.080 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.725 4.836 7.330 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.419 4.242 8.990 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.505 4.163 7.242 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.391 1.924 9.102 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.449 1.846 7.352 1.00 0.00 H new ATOM 818 N SER A 55 15.889 2.081 10.482 1.00 0.00 N ATOM 819 CA SER A 55 16.659 2.047 11.761 1.00 0.00 C ATOM 820 C SER A 55 18.037 1.419 11.534 1.00 0.00 C ATOM 821 O SER A 55 18.965 1.663 12.280 1.00 0.00 O ATOM 822 CB SER A 55 15.891 1.220 12.794 1.00 0.00 C ATOM 823 OG SER A 55 16.261 -0.146 12.669 1.00 0.00 O ATOM 0 H SER A 55 15.154 1.379 10.399 1.00 0.00 H new ATOM 0 HA SER A 55 16.788 3.067 12.123 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.111 1.578 13.800 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.818 1.333 12.643 1.00 0.00 H new ATOM 0 HG SER A 55 15.458 -0.707 12.700 1.00 0.00 H new ATOM 829 N GLU A 56 18.187 0.616 10.516 1.00 0.00 N ATOM 830 CA GLU A 56 19.515 -0.015 10.260 1.00 0.00 C ATOM 831 C GLU A 56 20.418 0.980 9.524 1.00 0.00 C ATOM 832 O GLU A 56 20.113 1.440 8.442 1.00 0.00 O ATOM 833 CB GLU A 56 19.326 -1.279 9.415 1.00 0.00 C ATOM 834 CG GLU A 56 18.892 -2.452 10.305 1.00 0.00 C ATOM 835 CD GLU A 56 17.721 -2.029 11.197 1.00 0.00 C ATOM 836 OE1 GLU A 56 16.828 -1.368 10.695 1.00 0.00 O ATOM 837 OE2 GLU A 56 17.738 -2.376 12.366 1.00 0.00 O ATOM 0 H GLU A 56 17.452 0.370 9.853 1.00 0.00 H new ATOM 0 HA GLU A 56 19.981 -0.287 11.207 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.576 -1.101 8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.256 -1.526 8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.600 -3.300 9.686 1.00 0.00 H new ATOM 0 HG3 GLU A 56 19.729 -2.780 10.921 1.00 0.00 H new ATOM 844 N SER A 57 21.520 1.322 10.126 1.00 0.00 N ATOM 845 CA SER A 57 22.461 2.297 9.507 1.00 0.00 C ATOM 846 C SER A 57 22.790 1.920 8.058 1.00 0.00 C ATOM 847 O SER A 57 22.919 2.780 7.209 1.00 0.00 O ATOM 848 CB SER A 57 23.753 2.333 10.322 1.00 0.00 C ATOM 849 OG SER A 57 23.465 2.784 11.640 1.00 0.00 O ATOM 0 H SER A 57 21.814 0.963 11.034 1.00 0.00 H new ATOM 0 HA SER A 57 21.982 3.276 9.503 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.203 1.341 10.355 1.00 0.00 H new ATOM 0 HB3 SER A 57 24.477 2.996 9.848 1.00 0.00 H new ATOM 0 HG SER A 57 24.292 2.807 12.166 1.00 0.00 H new ATOM 855 N TRP A 58 22.954 0.659 7.761 1.00 0.00 N ATOM 856 CA TRP A 58 23.303 0.287 6.361 1.00 0.00 C ATOM 857 C TRP A 58 22.193 0.749 5.419 1.00 0.00 C ATOM 858 O TRP A 58 22.434 1.079 4.277 1.00 0.00 O ATOM 859 CB TRP A 58 23.549 -1.228 6.247 1.00 0.00 C ATOM 860 CG TRP A 58 22.268 -2.000 6.148 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.724 -2.728 7.152 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.388 -2.172 4.996 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.564 -3.329 6.693 1.00 0.00 N ATOM 864 CE2 TRP A 58 20.309 -3.015 5.376 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.414 -1.679 3.670 1.00 0.00 C ATOM 866 CZ2 TRP A 58 19.292 -3.358 4.474 1.00 0.00 C ATOM 867 CZ3 TRP A 58 20.392 -2.023 2.759 1.00 0.00 C ATOM 868 CH2 TRP A 58 19.332 -2.860 3.161 1.00 0.00 C ATOM 0 H TRP A 58 22.863 -0.118 8.416 1.00 0.00 H new ATOM 0 HA TRP A 58 24.228 0.786 6.074 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.163 -1.430 5.369 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.112 -1.570 7.115 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.129 -2.824 8.149 1.00 0.00 H new ATOM 0 HE1 TRP A 58 19.970 -3.932 7.262 1.00 0.00 H new ATOM 0 HE3 TRP A 58 22.221 -1.035 3.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.483 -4.001 4.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 20.423 -1.643 1.749 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.551 -3.118 2.461 1.00 0.00 H new ATOM 879 N VAL A 59 20.983 0.804 5.892 1.00 0.00 N ATOM 880 CA VAL A 59 19.877 1.271 5.019 1.00 0.00 C ATOM 881 C VAL A 59 20.094 2.746 4.713 1.00 0.00 C ATOM 882 O VAL A 59 20.019 3.176 3.579 1.00 0.00 O ATOM 883 CB VAL A 59 18.547 1.077 5.746 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.398 1.603 4.880 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.353 -0.413 6.017 1.00 0.00 C ATOM 0 H VAL A 59 20.713 0.547 6.841 1.00 0.00 H new ATOM 0 HA VAL A 59 19.858 0.702 4.089 1.00 0.00 H new ATOM 0 HB VAL A 59 18.554 1.628 6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.453 1.462 5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.548 2.664 4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.375 1.058 3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.407 -0.568 6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.342 -0.956 5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.171 -0.780 6.637 1.00 0.00 H new ATOM 895 N GLN A 60 20.383 3.524 5.714 1.00 0.00 N ATOM 896 CA GLN A 60 20.629 4.973 5.477 1.00 0.00 C ATOM 897 C GLN A 60 21.887 5.135 4.617 1.00 0.00 C ATOM 898 O GLN A 60 21.985 6.029 3.801 1.00 0.00 O ATOM 899 CB GLN A 60 20.829 5.686 6.816 1.00 0.00 C ATOM 900 CG GLN A 60 20.982 7.189 6.578 1.00 0.00 C ATOM 901 CD GLN A 60 21.131 7.906 7.921 1.00 0.00 C ATOM 902 OE1 GLN A 60 21.437 7.290 8.921 1.00 0.00 O ATOM 903 NE2 GLN A 60 20.927 9.194 7.984 1.00 0.00 N ATOM 0 H GLN A 60 20.460 3.222 6.685 1.00 0.00 H new ATOM 0 HA GLN A 60 19.773 5.410 4.962 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.979 5.496 7.471 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.713 5.295 7.319 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.853 7.382 5.952 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.114 7.573 6.043 1.00 0.00 H new ATOM 0 HE21 GLN A 60 20.670 9.711 7.143 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.025 9.683 8.874 1.00 0.00 H new ATOM 912 N GLU A 61 22.852 4.273 4.801 1.00 0.00 N ATOM 913 CA GLU A 61 24.111 4.369 4.005 1.00 0.00 C ATOM 914 C GLU A 61 23.819 4.106 2.525 1.00 0.00 C ATOM 915 O GLU A 61 24.211 4.865 1.662 1.00 0.00 O ATOM 916 CB GLU A 61 25.114 3.332 4.517 1.00 0.00 C ATOM 917 CG GLU A 61 26.476 3.572 3.861 1.00 0.00 C ATOM 918 CD GLU A 61 27.475 2.528 4.362 1.00 0.00 C ATOM 919 OE1 GLU A 61 28.002 2.713 5.446 1.00 0.00 O ATOM 920 OE2 GLU A 61 27.696 1.560 3.652 1.00 0.00 O ATOM 0 H GLU A 61 22.822 3.504 5.471 1.00 0.00 H new ATOM 0 HA GLU A 61 24.527 5.371 4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.203 3.401 5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 61 24.761 2.326 4.290 1.00 0.00 H new ATOM 0 HG2 GLU A 61 26.385 3.512 2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 61 26.833 4.575 4.096 1.00 0.00 H new ATOM 927 N TYR A 62 23.139 3.035 2.227 1.00 0.00 N ATOM 928 CA TYR A 62 22.828 2.720 0.801 1.00 0.00 C ATOM 929 C TYR A 62 21.972 3.840 0.202 1.00 0.00 C ATOM 930 O TYR A 62 22.116 4.190 -0.953 1.00 0.00 O ATOM 931 CB TYR A 62 22.063 1.387 0.719 1.00 0.00 C ATOM 932 CG TYR A 62 23.027 0.212 0.765 1.00 0.00 C ATOM 933 CD1 TYR A 62 23.973 0.099 1.807 1.00 0.00 C ATOM 934 CD2 TYR A 62 22.968 -0.780 -0.236 1.00 0.00 C ATOM 935 CE1 TYR A 62 24.854 -1.000 1.842 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.850 -1.875 -0.200 1.00 0.00 C ATOM 937 CZ TYR A 62 24.792 -1.986 0.839 1.00 0.00 C ATOM 938 OH TYR A 62 25.656 -3.061 0.874 1.00 0.00 O ATOM 0 H TYR A 62 22.784 2.363 2.907 1.00 0.00 H new ATOM 0 HA TYR A 62 23.759 2.636 0.240 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.356 1.316 1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.482 1.351 -0.202 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.021 0.855 2.577 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.243 -0.698 -1.033 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.578 -1.086 2.639 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.804 -2.631 -0.970 1.00 0.00 H new ATOM 0 HH TYR A 62 25.479 -3.648 0.109 1.00 0.00 H new ATOM 948 N VAL A 63 21.090 4.410 0.973 1.00 0.00 N ATOM 949 CA VAL A 63 20.243 5.507 0.438 1.00 0.00 C ATOM 950 C VAL A 63 21.140 6.693 0.124 1.00 0.00 C ATOM 951 O VAL A 63 20.988 7.358 -0.879 1.00 0.00 O ATOM 952 CB VAL A 63 19.204 5.907 1.487 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.469 7.170 1.030 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.196 4.769 1.661 1.00 0.00 C ATOM 0 H VAL A 63 20.920 4.164 1.948 1.00 0.00 H new ATOM 0 HA VAL A 63 19.726 5.181 -0.464 1.00 0.00 H new ATOM 0 HB VAL A 63 19.705 6.103 2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 63 17.730 7.452 1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.185 7.982 0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 63 17.968 6.976 0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.454 5.051 2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.698 4.575 0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.716 3.869 1.988 1.00 0.00 H new ATOM 964 N TYR A 64 22.081 6.956 0.982 1.00 0.00 N ATOM 965 CA TYR A 64 22.998 8.096 0.749 1.00 0.00 C ATOM 966 C TYR A 64 23.786 7.849 -0.535 1.00 0.00 C ATOM 967 O TYR A 64 23.960 8.729 -1.353 1.00 0.00 O ATOM 968 CB TYR A 64 23.966 8.212 1.931 1.00 0.00 C ATOM 969 CG TYR A 64 24.591 9.588 1.949 1.00 0.00 C ATOM 970 CD1 TYR A 64 23.824 10.705 2.337 1.00 0.00 C ATOM 971 CD2 TYR A 64 25.940 9.757 1.577 1.00 0.00 C ATOM 972 CE1 TYR A 64 24.405 11.987 2.354 1.00 0.00 C ATOM 973 CE2 TYR A 64 26.521 11.039 1.594 1.00 0.00 C ATOM 974 CZ TYR A 64 25.753 12.154 1.982 1.00 0.00 C ATOM 975 OH TYR A 64 26.323 13.411 1.999 1.00 0.00 O ATOM 0 H TYR A 64 22.254 6.427 1.837 1.00 0.00 H new ATOM 0 HA TYR A 64 22.427 9.020 0.654 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.436 8.031 2.866 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.742 7.451 1.853 1.00 0.00 H new ATOM 0 HD1 TYR A 64 22.790 10.577 2.621 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.528 8.902 1.279 1.00 0.00 H new ATOM 0 HE1 TYR A 64 23.817 12.842 2.652 1.00 0.00 H new ATOM 0 HE2 TYR A 64 27.555 11.168 1.310 1.00 0.00 H new ATOM 0 HH TYR A 64 27.259 13.350 1.716 1.00 0.00 H new ATOM 985 N ASP A 65 24.261 6.652 -0.709 1.00 0.00 N ATOM 986 CA ASP A 65 25.045 6.325 -1.932 1.00 0.00 C ATOM 987 C ASP A 65 24.165 6.524 -3.171 1.00 0.00 C ATOM 988 O ASP A 65 24.630 6.927 -4.218 1.00 0.00 O ATOM 989 CB ASP A 65 25.503 4.865 -1.855 1.00 0.00 C ATOM 990 CG ASP A 65 26.725 4.753 -0.940 1.00 0.00 C ATOM 991 OD1 ASP A 65 26.771 5.472 0.045 1.00 0.00 O ATOM 992 OD2 ASP A 65 27.593 3.950 -1.240 1.00 0.00 O ATOM 0 H ASP A 65 24.140 5.880 -0.054 1.00 0.00 H new ATOM 0 HA ASP A 65 25.914 6.979 -2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.695 4.240 -1.476 1.00 0.00 H new ATOM 0 HB3 ASP A 65 25.749 4.498 -2.852 1.00 0.00 H new ATOM 997 N LEU A 66 22.900 6.243 -3.055 1.00 0.00 N ATOM 998 CA LEU A 66 21.983 6.410 -4.216 1.00 0.00 C ATOM 999 C LEU A 66 21.755 7.903 -4.476 1.00 0.00 C ATOM 1000 O LEU A 66 21.531 8.320 -5.595 1.00 0.00 O ATOM 1001 CB LEU A 66 20.649 5.724 -3.892 1.00 0.00 C ATOM 1002 CG LEU A 66 20.759 4.203 -4.132 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.679 3.473 -3.330 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.558 3.880 -5.623 1.00 0.00 C ATOM 0 H LEU A 66 22.458 5.903 -2.201 1.00 0.00 H new ATOM 0 HA LEU A 66 22.419 5.960 -5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.375 5.917 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 66 19.857 6.141 -4.514 1.00 0.00 H new ATOM 0 HG LEU A 66 21.750 3.877 -3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.761 2.400 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.811 3.681 -2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.695 3.818 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.638 2.804 -5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.571 4.219 -5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.322 4.388 -6.212 1.00 0.00 H new ATOM 1016 N GLU A 67 21.815 8.706 -3.454 1.00 0.00 N ATOM 1017 CA GLU A 67 21.609 10.171 -3.641 1.00 0.00 C ATOM 1018 C GLU A 67 22.834 10.766 -4.331 1.00 0.00 C ATOM 1019 O GLU A 67 22.743 11.739 -5.053 1.00 0.00 O ATOM 1020 CB GLU A 67 21.426 10.837 -2.278 1.00 0.00 C ATOM 1021 CG GLU A 67 20.061 10.457 -1.712 1.00 0.00 C ATOM 1022 CD GLU A 67 19.813 11.222 -0.411 1.00 0.00 C ATOM 1023 OE1 GLU A 67 20.301 10.781 0.615 1.00 0.00 O ATOM 1024 OE2 GLU A 67 19.139 12.238 -0.464 1.00 0.00 O ATOM 0 H GLU A 67 21.998 8.413 -2.494 1.00 0.00 H new ATOM 0 HA GLU A 67 20.722 10.340 -4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.216 10.521 -1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 67 21.504 11.920 -2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 67 19.279 10.688 -2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.019 9.383 -1.528 1.00 0.00 H new ATOM 1116 N SER B 5 10.742 -9.661 -3.601 1.00 0.00 N ATOM 1117 CA SER B 5 11.373 -9.964 -2.281 1.00 0.00 C ATOM 1118 C SER B 5 10.404 -9.589 -1.147 1.00 0.00 C ATOM 1119 O SER B 5 9.833 -10.442 -0.497 1.00 0.00 O ATOM 1120 CB SER B 5 12.690 -9.170 -2.157 1.00 0.00 C ATOM 1121 OG SER B 5 12.932 -8.480 -3.372 1.00 0.00 O ATOM 0 HA SER B 5 11.593 -11.029 -2.208 1.00 0.00 H new ATOM 0 HB2 SER B 5 12.627 -8.463 -1.329 1.00 0.00 H new ATOM 0 HB3 SER B 5 13.517 -9.845 -1.937 1.00 0.00 H new ATOM 0 HG SER B 5 12.079 -8.294 -3.818 1.00 0.00 H new ATOM 1127 N ASP B 6 10.215 -8.316 -0.909 1.00 0.00 N ATOM 1128 CA ASP B 6 9.283 -7.884 0.178 1.00 0.00 C ATOM 1129 C ASP B 6 8.748 -6.476 -0.129 1.00 0.00 C ATOM 1130 O ASP B 6 9.022 -5.549 0.608 1.00 0.00 O ATOM 1131 CB ASP B 6 10.033 -7.853 1.520 1.00 0.00 C ATOM 1132 CG ASP B 6 9.026 -7.846 2.672 1.00 0.00 C ATOM 1133 OD1 ASP B 6 8.559 -8.914 3.030 1.00 0.00 O ATOM 1134 OD2 ASP B 6 8.739 -6.773 3.175 1.00 0.00 O ATOM 0 H ASP B 6 10.665 -7.557 -1.420 1.00 0.00 H new ATOM 0 HA ASP B 6 8.453 -8.588 0.236 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.688 -8.720 1.602 1.00 0.00 H new ATOM 0 HB3 ASP B 6 10.667 -6.968 1.573 1.00 0.00 H new ATOM 1139 N PRO B 7 8.001 -6.344 -1.205 1.00 0.00 N ATOM 1140 CA PRO B 7 7.438 -5.035 -1.593 1.00 0.00 C ATOM 1141 C PRO B 7 6.498 -4.515 -0.482 1.00 0.00 C ATOM 1142 O PRO B 7 6.143 -5.259 0.411 1.00 0.00 O ATOM 1143 CB PRO B 7 6.665 -5.307 -2.906 1.00 0.00 C ATOM 1144 CG PRO B 7 6.783 -6.828 -3.215 1.00 0.00 C ATOM 1145 CD PRO B 7 7.662 -7.463 -2.113 1.00 0.00 C ATOM 0 HA PRO B 7 8.203 -4.271 -1.733 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.619 -5.017 -2.802 1.00 0.00 H new ATOM 0 HB3 PRO B 7 7.079 -4.717 -3.724 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.797 -7.292 -3.233 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.228 -6.986 -4.198 1.00 0.00 H new ATOM 0 HD2 PRO B 7 7.126 -8.252 -1.585 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.559 -7.915 -2.535 1.00 0.00 H new ATOM 1153 N PRO B 8 6.111 -3.256 -0.572 1.00 0.00 N ATOM 1154 CA PRO B 8 5.203 -2.650 0.424 1.00 0.00 C ATOM 1155 C PRO B 8 3.843 -3.367 0.394 1.00 0.00 C ATOM 1156 O PRO B 8 3.732 -4.490 -0.055 1.00 0.00 O ATOM 1157 CB PRO B 8 5.067 -1.170 -0.012 1.00 0.00 C ATOM 1158 CG PRO B 8 5.787 -1.023 -1.384 1.00 0.00 C ATOM 1159 CD PRO B 8 6.541 -2.343 -1.655 1.00 0.00 C ATOM 0 HA PRO B 8 5.577 -2.733 1.444 1.00 0.00 H new ATOM 0 HB2 PRO B 8 4.017 -0.890 -0.097 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.515 -0.508 0.730 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.066 -0.824 -2.176 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.480 -0.182 -1.365 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.290 -2.747 -2.636 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.620 -2.192 -1.639 1.00 0.00 H new ATOM 1167 N THR B 9 2.810 -2.719 0.867 1.00 0.00 N ATOM 1168 CA THR B 9 1.461 -3.355 0.864 1.00 0.00 C ATOM 1169 C THR B 9 0.383 -2.272 0.881 1.00 0.00 C ATOM 1170 O THR B 9 0.386 -1.388 1.715 1.00 0.00 O ATOM 1171 CB THR B 9 1.312 -4.240 2.104 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.487 -5.020 2.267 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.101 -5.162 1.938 1.00 0.00 C ATOM 0 H THR B 9 2.843 -1.776 1.255 1.00 0.00 H new ATOM 0 HA THR B 9 1.350 -3.963 -0.034 1.00 0.00 H new ATOM 0 HB THR B 9 1.165 -3.613 2.983 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.475 -5.450 3.148 1.00 0.00 H new ATOM 0 HG21 THR B 9 -0.002 -5.790 2.823 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.800 -4.561 1.813 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.241 -5.792 1.060 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.537 -2.336 -0.038 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.620 -1.317 -0.088 1.00 0.00 C ATOM 1183 C ALA B 10 -2.541 -1.483 1.121 1.00 0.00 C ATOM 1184 O ALA B 10 -3.586 -2.096 1.034 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.426 -1.508 -1.371 1.00 0.00 C ATOM 0 H ALA B 10 -0.586 -3.054 -0.761 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.183 -0.319 -0.071 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.222 -0.765 -1.415 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.770 -1.389 -2.234 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.862 -2.507 -1.382 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.162 -0.931 2.247 1.00 0.00 N ATOM 1192 CA CYS B 11 -3.009 -1.037 3.476 1.00 0.00 C ATOM 1193 C CYS B 11 -3.621 0.333 3.771 1.00 0.00 C ATOM 1194 O CYS B 11 -2.967 1.351 3.661 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.139 -1.475 4.657 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.230 -2.976 4.210 1.00 0.00 S ATOM 0 H CYS B 11 -1.295 -0.407 2.369 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.800 -1.771 3.322 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.442 -0.680 4.924 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.761 -1.661 5.532 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.874 0.371 4.132 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.524 1.679 4.421 1.00 0.00 C ATOM 1203 C CYS B 12 -5.016 2.228 5.754 1.00 0.00 C ATOM 1204 O CYS B 12 -4.778 1.490 6.690 1.00 0.00 O ATOM 1205 CB CYS B 12 -7.041 1.490 4.494 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.650 0.877 2.904 1.00 0.00 S ATOM 0 H CYS B 12 -5.475 -0.446 4.239 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.280 2.383 3.626 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.293 0.786 5.288 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.524 2.435 4.741 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.859 3.524 5.847 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.375 4.147 7.117 1.00 0.00 C ATOM 1213 C PHE B 13 -5.564 4.798 7.827 1.00 0.00 C ATOM 1214 O PHE B 13 -5.533 5.058 9.014 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.334 5.219 6.789 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.993 6.328 6.005 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.248 6.160 4.631 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.360 7.525 6.650 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.869 7.190 3.902 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -4.982 8.555 5.920 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.236 8.388 4.545 1.00 0.00 C ATOM 0 H PHE B 13 -5.047 4.183 5.091 1.00 0.00 H new ATOM 0 HA PHE B 13 -3.926 3.389 7.758 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.900 5.615 7.707 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.517 4.785 6.212 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.967 5.241 4.137 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.164 7.652 7.704 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.065 7.062 2.848 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.264 9.473 6.414 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.712 9.178 3.984 1.00 0.00 H new ATOM 1231 N SER B 14 -6.614 5.062 7.097 1.00 0.00 N ATOM 1232 CA SER B 14 -7.819 5.696 7.703 1.00 0.00 C ATOM 1233 C SER B 14 -9.041 5.358 6.848 1.00 0.00 C ATOM 1234 O SER B 14 -9.087 4.333 6.198 1.00 0.00 O ATOM 1235 CB SER B 14 -7.629 7.212 7.751 1.00 0.00 C ATOM 1236 OG SER B 14 -7.623 7.726 6.425 1.00 0.00 O ATOM 0 H SER B 14 -6.689 4.864 6.099 1.00 0.00 H new ATOM 0 HA SER B 14 -7.964 5.321 8.716 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.431 7.673 8.328 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.693 7.457 8.253 1.00 0.00 H new ATOM 0 HG SER B 14 -6.723 7.644 6.047 1.00 0.00 H new ATOM 1242 N TYR B 15 -10.035 6.207 6.841 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.253 5.921 6.026 1.00 0.00 C ATOM 1244 C TYR B 15 -11.958 7.231 5.677 1.00 0.00 C ATOM 1245 O TYR B 15 -11.716 8.256 6.283 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.210 5.036 6.833 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.432 3.955 7.544 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -11.087 2.771 6.865 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -11.050 4.133 8.888 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.361 1.765 7.530 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -10.323 3.127 9.553 1.00 0.00 C ATOM 1252 CZ TYR B 15 -9.979 1.942 8.874 1.00 0.00 C ATOM 1253 OH TYR B 15 -9.267 0.956 9.525 1.00 0.00 O ATOM 0 H TYR B 15 -10.057 7.083 7.362 1.00 0.00 H new ATOM 0 HA TYR B 15 -10.960 5.409 5.110 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.755 5.641 7.558 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.951 4.588 6.171 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.379 2.635 5.834 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.315 5.041 9.409 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -10.097 0.857 7.009 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -10.029 3.264 10.583 1.00 0.00 H new ATOM 0 HH TYR B 15 -9.083 1.239 10.445 1.00 0.00 H new ATOM 1263 N THR B 16 -12.835 7.203 4.709 1.00 0.00 N ATOM 1264 CA THR B 16 -13.561 8.451 4.338 1.00 0.00 C ATOM 1265 C THR B 16 -14.391 8.917 5.538 1.00 0.00 C ATOM 1266 O THR B 16 -13.972 8.802 6.671 1.00 0.00 O ATOM 1267 CB THR B 16 -14.460 8.195 3.121 1.00 0.00 C ATOM 1268 OG1 THR B 16 -15.137 9.394 2.773 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.484 7.104 3.438 1.00 0.00 C ATOM 0 H THR B 16 -13.078 6.376 4.163 1.00 0.00 H new ATOM 0 HA THR B 16 -12.847 9.231 4.071 1.00 0.00 H new ATOM 0 HB THR B 16 -13.841 7.866 2.286 1.00 0.00 H new ATOM 0 HG1 THR B 16 -16.077 9.195 2.580 1.00 0.00 H new ATOM 0 HG21 THR B 16 -16.115 6.933 2.566 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.964 6.181 3.697 1.00 0.00 H new ATOM 0 HG23 THR B 16 -16.103 7.419 4.278 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.563 9.443 5.308 1.00 0.00 N ATOM 1278 CA ALA B 17 -16.403 9.911 6.450 1.00 0.00 C ATOM 1279 C ALA B 17 -17.881 9.771 6.088 1.00 0.00 C ATOM 1280 O ALA B 17 -18.697 9.396 6.906 1.00 0.00 O ATOM 1281 CB ALA B 17 -16.085 11.379 6.738 1.00 0.00 C ATOM 0 H ALA B 17 -15.975 9.569 4.383 1.00 0.00 H new ATOM 0 HA ALA B 17 -16.190 9.309 7.333 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -16.695 11.727 7.571 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -15.030 11.479 6.994 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -16.302 11.979 5.854 1.00 0.00 H new ATOM 1287 N ARG B 18 -18.229 10.070 4.867 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.654 9.962 4.435 1.00 0.00 C ATOM 1289 C ARG B 18 -19.868 8.637 3.699 1.00 0.00 C ATOM 1290 O ARG B 18 -19.065 8.235 2.880 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.981 11.127 3.496 1.00 0.00 C ATOM 1292 CG ARG B 18 -20.257 12.387 4.324 1.00 0.00 C ATOM 1293 CD ARG B 18 -20.167 13.618 3.427 1.00 0.00 C ATOM 1294 NE ARG B 18 -21.234 13.558 2.390 1.00 0.00 N ATOM 1295 CZ ARG B 18 -21.540 14.625 1.704 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -20.911 15.747 1.928 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -22.475 14.572 0.796 1.00 0.00 N ATOM 0 H ARG B 18 -17.584 10.387 4.144 1.00 0.00 H new ATOM 0 HA ARG B 18 -20.306 9.997 5.308 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -19.150 11.302 2.813 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -20.850 10.883 2.885 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -21.246 12.327 4.778 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -19.537 12.464 5.138 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -20.276 14.524 4.023 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -19.187 13.664 2.953 1.00 0.00 H new ATOM 0 HE ARG B 18 -21.726 12.682 2.216 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -20.181 15.789 2.639 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -21.150 16.581 1.392 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -22.968 13.696 0.622 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -22.714 15.407 0.260 1.00 0.00 H new ATOM 1311 N LYS B 19 -20.951 7.963 3.972 1.00 0.00 N ATOM 1312 CA LYS B 19 -21.218 6.675 3.274 1.00 0.00 C ATOM 1313 C LYS B 19 -21.404 6.960 1.779 1.00 0.00 C ATOM 1314 O LYS B 19 -22.087 7.888 1.395 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.485 6.026 3.866 1.00 0.00 C ATOM 1316 CG LYS B 19 -23.083 5.005 2.887 1.00 0.00 C ATOM 1317 CD LYS B 19 -24.146 4.167 3.599 1.00 0.00 C ATOM 1318 CE LYS B 19 -25.263 5.069 4.126 1.00 0.00 C ATOM 1319 NZ LYS B 19 -25.585 6.119 3.118 1.00 0.00 N ATOM 0 H LYS B 19 -21.661 8.248 4.647 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.383 5.987 3.408 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.241 5.534 4.808 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -23.223 6.796 4.091 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -23.524 5.520 2.034 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -22.297 4.358 2.497 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -24.559 3.429 2.911 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -23.693 3.616 4.424 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -26.151 4.475 4.341 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -24.956 5.534 5.063 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -26.539 6.492 3.298 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -24.892 6.892 3.188 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -25.549 5.707 2.164 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.799 6.170 0.938 1.00 0.00 N ATOM 1334 CA LEU B 20 -20.939 6.396 -0.527 1.00 0.00 C ATOM 1335 C LEU B 20 -22.346 5.947 -0.985 1.00 0.00 C ATOM 1336 O LEU B 20 -22.697 4.805 -0.767 1.00 0.00 O ATOM 1337 CB LEU B 20 -19.901 5.550 -1.264 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.530 5.700 -0.606 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.485 5.000 -1.473 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.171 7.185 -0.475 1.00 0.00 C ATOM 0 H LEU B 20 -20.213 5.377 1.201 1.00 0.00 H new ATOM 0 HA LEU B 20 -20.794 7.454 -0.745 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.203 4.503 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -19.846 5.858 -2.308 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.553 5.252 0.387 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.503 5.101 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.736 3.943 -1.563 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.470 5.455 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.192 7.283 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.146 7.642 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -18.919 7.688 0.138 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.122 6.814 -1.621 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.458 6.409 -2.094 1.00 0.00 C ATOM 1354 C PRO B 21 -24.335 5.174 -2.989 1.00 0.00 C ATOM 1355 O PRO B 21 -23.386 5.033 -3.733 1.00 0.00 O ATOM 1356 CB PRO B 21 -24.984 7.620 -2.897 1.00 0.00 C ATOM 1357 CG PRO B 21 -23.993 8.794 -2.662 1.00 0.00 C ATOM 1358 CD PRO B 21 -22.766 8.222 -1.919 1.00 0.00 C ATOM 0 HA PRO B 21 -25.131 6.147 -1.278 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -25.050 7.379 -3.958 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -25.987 7.892 -2.569 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -23.694 9.239 -3.611 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.464 9.582 -2.075 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -21.869 8.281 -2.535 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.562 8.780 -1.005 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.291 4.289 -2.941 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.220 3.088 -3.815 1.00 0.00 C ATOM 1368 C ARG B 22 -24.942 3.542 -5.249 1.00 0.00 C ATOM 1369 O ARG B 22 -24.252 2.882 -6.001 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.545 2.334 -3.764 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.431 1.064 -4.618 1.00 0.00 C ATOM 1372 CD ARG B 22 -27.691 0.190 -4.459 1.00 0.00 C ATOM 1373 NE ARG B 22 -27.297 -1.252 -4.364 1.00 0.00 N ATOM 1374 CZ ARG B 22 -26.443 -1.779 -5.203 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -26.018 -1.100 -6.233 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -26.047 -3.010 -5.033 1.00 0.00 N ATOM 0 H ARG B 22 -26.112 4.345 -2.339 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.424 2.427 -3.472 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -26.791 2.074 -2.734 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.352 2.966 -4.135 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -26.299 1.334 -5.666 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -25.549 0.497 -4.321 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -28.240 0.486 -3.565 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -28.358 0.339 -5.308 1.00 0.00 H new ATOM 0 HE ARG B 22 -27.702 -1.834 -3.631 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -26.352 -0.149 -6.390 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -25.352 -1.520 -6.881 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -26.403 -3.557 -4.249 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -25.381 -3.426 -5.684 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.476 4.672 -5.627 1.00 0.00 N ATOM 1391 CA ASN B 23 -25.246 5.187 -7.007 1.00 0.00 C ATOM 1392 C ASN B 23 -23.815 5.717 -7.131 1.00 0.00 C ATOM 1393 O ASN B 23 -23.498 6.457 -8.040 1.00 0.00 O ATOM 1394 CB ASN B 23 -26.238 6.315 -7.306 1.00 0.00 C ATOM 1395 CG ASN B 23 -25.950 7.506 -6.392 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -26.733 7.818 -5.517 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -24.850 8.190 -6.558 1.00 0.00 N ATOM 0 H ASN B 23 -26.063 5.262 -5.038 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.392 4.376 -7.721 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -26.157 6.617 -8.350 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -27.259 5.965 -7.154 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -24.648 8.986 -5.953 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -24.193 7.928 -7.293 1.00 0.00 H new ATOM 1404 N PHE B 24 -22.950 5.351 -6.218 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.534 5.842 -6.273 1.00 0.00 C ATOM 1406 C PHE B 24 -20.591 4.691 -5.908 1.00 0.00 C ATOM 1407 O PHE B 24 -19.507 4.899 -5.400 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.367 7.000 -5.272 1.00 0.00 C ATOM 1409 CG PHE B 24 -20.173 7.864 -5.639 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -20.124 8.516 -6.892 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -19.111 8.028 -4.724 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -19.020 9.325 -7.223 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -18.007 8.837 -5.060 1.00 0.00 C ATOM 1414 CZ PHE B 24 -17.963 9.484 -6.308 1.00 0.00 C ATOM 0 H PHE B 24 -23.162 4.733 -5.435 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.295 6.196 -7.276 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.271 7.608 -5.259 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.237 6.601 -4.266 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -20.934 8.394 -7.596 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -19.144 7.533 -3.765 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -18.985 9.824 -8.180 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.195 8.960 -4.359 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.117 10.104 -6.564 1.00 0.00 H new ATOM 1424 N VAL B 25 -20.998 3.476 -6.175 1.00 0.00 N ATOM 1425 CA VAL B 25 -20.138 2.297 -5.858 1.00 0.00 C ATOM 1426 C VAL B 25 -20.426 1.187 -6.872 1.00 0.00 C ATOM 1427 O VAL B 25 -21.265 0.335 -6.652 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.460 1.786 -4.452 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.484 0.671 -4.077 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.328 2.927 -3.443 1.00 0.00 C ATOM 0 H VAL B 25 -21.896 3.249 -6.602 1.00 0.00 H new ATOM 0 HA VAL B 25 -19.088 2.587 -5.906 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.480 1.403 -4.437 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.714 0.308 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.576 -0.148 -4.790 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.465 1.057 -4.098 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.558 2.558 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.309 3.313 -3.461 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -21.023 3.725 -3.704 1.00 0.00 H new ATOM 1440 N VAL B 26 -19.742 1.191 -7.984 1.00 0.00 N ATOM 1441 CA VAL B 26 -19.980 0.143 -9.014 1.00 0.00 C ATOM 1442 C VAL B 26 -19.202 -1.118 -8.655 1.00 0.00 C ATOM 1443 O VAL B 26 -19.408 -2.169 -9.229 1.00 0.00 O ATOM 1444 CB VAL B 26 -19.508 0.659 -10.371 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -20.208 1.979 -10.684 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -17.993 0.884 -10.332 1.00 0.00 C ATOM 0 H VAL B 26 -19.027 1.878 -8.223 1.00 0.00 H new ATOM 0 HA VAL B 26 -21.044 -0.090 -9.056 1.00 0.00 H new ATOM 0 HB VAL B 26 -19.748 -0.073 -11.142 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -19.872 2.348 -11.653 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -21.286 1.822 -10.710 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -19.967 2.711 -9.913 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -17.655 1.252 -11.300 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -17.754 1.617 -9.561 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -17.491 -0.057 -10.106 1.00 0.00 H new ATOM 1456 N ASP B 27 -18.306 -1.028 -7.716 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.520 -2.232 -7.338 1.00 0.00 C ATOM 1458 C ASP B 27 -16.727 -1.942 -6.070 1.00 0.00 C ATOM 1459 O ASP B 27 -16.888 -0.911 -5.447 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.554 -2.581 -8.472 1.00 0.00 C ATOM 1461 CG ASP B 27 -15.985 -3.983 -8.247 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -16.712 -4.822 -7.740 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -14.831 -4.195 -8.584 1.00 0.00 O ATOM 0 H ASP B 27 -18.084 -0.179 -7.196 1.00 0.00 H new ATOM 0 HA ASP B 27 -18.196 -3.069 -7.161 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -17.071 -2.537 -9.431 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -15.745 -1.851 -8.512 1.00 0.00 H new ATOM 1468 N TYR B 28 -15.867 -2.840 -5.686 1.00 0.00 N ATOM 1469 CA TYR B 28 -15.059 -2.613 -4.461 1.00 0.00 C ATOM 1470 C TYR B 28 -13.779 -3.438 -4.528 1.00 0.00 C ATOM 1471 O TYR B 28 -13.482 -4.077 -5.517 1.00 0.00 O ATOM 1472 CB TYR B 28 -15.867 -2.991 -3.214 1.00 0.00 C ATOM 1473 CG TYR B 28 -15.989 -4.499 -3.087 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.671 -5.240 -4.072 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.431 -5.158 -1.973 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -16.792 -6.637 -3.944 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.553 -6.553 -1.842 1.00 0.00 C ATOM 1478 CZ TYR B 28 -16.234 -7.293 -2.828 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.354 -8.663 -2.702 1.00 0.00 O ATOM 0 H TYR B 28 -15.689 -3.721 -6.168 1.00 0.00 H new ATOM 0 HA TYR B 28 -14.799 -1.556 -4.399 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.384 -2.585 -2.325 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -16.860 -2.545 -3.269 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -17.101 -4.737 -4.925 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -14.908 -4.590 -1.218 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.312 -7.206 -4.701 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -15.125 -7.056 -0.987 1.00 0.00 H new ATOM 0 HH TYR B 28 -15.913 -8.956 -1.877 1.00 0.00 H new ATOM 1489 N TYR B 29 -13.016 -3.406 -3.482 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.739 -4.158 -3.458 1.00 0.00 C ATOM 1491 C TYR B 29 -11.299 -4.303 -1.996 1.00 0.00 C ATOM 1492 O TYR B 29 -11.471 -3.403 -1.206 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.708 -3.365 -4.280 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.300 -3.770 -3.917 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -8.922 -5.120 -3.991 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.368 -2.796 -3.506 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.609 -5.503 -3.652 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -7.056 -3.176 -3.167 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.676 -4.532 -3.240 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.390 -4.906 -2.908 1.00 0.00 O ATOM 0 H TYR B 29 -13.224 -2.884 -2.630 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.841 -5.153 -3.890 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -10.877 -3.535 -5.343 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -10.840 -2.298 -4.103 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.637 -5.865 -4.308 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.661 -1.758 -3.451 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.318 -6.542 -3.708 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.341 -2.430 -2.851 1.00 0.00 H new ATOM 0 HH TYR B 29 -4.876 -4.114 -2.647 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.741 -5.426 -1.622 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.303 -5.609 -0.200 1.00 0.00 C ATOM 1512 C GLU B 30 -8.794 -5.360 -0.095 1.00 0.00 C ATOM 1513 O GLU B 30 -8.065 -5.479 -1.058 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.621 -7.036 0.250 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.119 -7.163 0.540 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.477 -8.636 0.741 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -12.319 -9.398 -0.200 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -12.905 -8.978 1.831 1.00 0.00 O ATOM 0 H GLU B 30 -10.569 -6.223 -2.235 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.831 -4.902 0.439 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.329 -7.745 -0.524 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.046 -7.283 1.142 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.378 -6.590 1.431 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.697 -6.747 -0.285 1.00 0.00 H new ATOM 1525 N THR B 31 -8.329 -5.005 1.071 1.00 0.00 N ATOM 1526 CA THR B 31 -6.870 -4.733 1.253 1.00 0.00 C ATOM 1527 C THR B 31 -6.079 -6.041 1.238 1.00 0.00 C ATOM 1528 O THR B 31 -6.574 -7.081 0.851 1.00 0.00 O ATOM 1529 CB THR B 31 -6.655 -4.041 2.598 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.337 -4.771 3.602 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.198 -2.614 2.526 1.00 0.00 C ATOM 0 H THR B 31 -8.897 -4.890 1.910 1.00 0.00 H new ATOM 0 HA THR B 31 -6.524 -4.097 0.438 1.00 0.00 H new ATOM 0 HB THR B 31 -5.592 -4.003 2.836 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.396 -5.713 3.338 1.00 0.00 H new ATOM 0 HG21 THR B 31 -7.046 -2.118 3.485 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.673 -2.064 1.745 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.263 -2.641 2.297 1.00 0.00 H new ATOM 1539 N SER B 32 -4.845 -5.986 1.666 1.00 0.00 N ATOM 1540 CA SER B 32 -3.995 -7.209 1.695 1.00 0.00 C ATOM 1541 C SER B 32 -4.209 -7.952 3.012 1.00 0.00 C ATOM 1542 O SER B 32 -5.307 -8.030 3.527 1.00 0.00 O ATOM 1543 CB SER B 32 -2.526 -6.803 1.580 1.00 0.00 C ATOM 1544 OG SER B 32 -1.740 -7.956 1.306 1.00 0.00 O ATOM 0 H SER B 32 -4.387 -5.138 1.999 1.00 0.00 H new ATOM 0 HA SER B 32 -4.266 -7.859 0.863 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.401 -6.067 0.786 1.00 0.00 H new ATOM 0 HB3 SER B 32 -2.193 -6.333 2.506 1.00 0.00 H new ATOM 0 HG SER B 32 -0.797 -7.699 1.230 1.00 0.00 H new ATOM 1550 N SER B 33 -3.160 -8.498 3.556 1.00 0.00 N ATOM 1551 CA SER B 33 -3.269 -9.248 4.843 1.00 0.00 C ATOM 1552 C SER B 33 -2.008 -9.003 5.667 1.00 0.00 C ATOM 1553 O SER B 33 -2.049 -8.907 6.878 1.00 0.00 O ATOM 1554 CB SER B 33 -3.382 -10.738 4.543 1.00 0.00 C ATOM 1555 OG SER B 33 -2.084 -11.265 4.295 1.00 0.00 O ATOM 0 H SER B 33 -2.220 -8.458 3.162 1.00 0.00 H new ATOM 0 HA SER B 33 -4.147 -8.913 5.395 1.00 0.00 H new ATOM 0 HB2 SER B 33 -3.844 -11.256 5.383 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.024 -10.899 3.677 1.00 0.00 H new ATOM 0 HG SER B 33 -2.151 -12.224 4.103 1.00 0.00 H new ATOM 1561 N LEU B 34 -0.888 -8.914 5.002 1.00 0.00 N ATOM 1562 CA LEU B 34 0.411 -8.683 5.703 1.00 0.00 C ATOM 1563 C LEU B 34 0.231 -7.682 6.846 1.00 0.00 C ATOM 1564 O LEU B 34 0.531 -7.964 7.988 1.00 0.00 O ATOM 1565 CB LEU B 34 1.433 -8.123 4.710 1.00 0.00 C ATOM 1566 CG LEU B 34 1.341 -8.871 3.379 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.489 -8.426 2.469 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.435 -10.379 3.627 1.00 0.00 C ATOM 0 H LEU B 34 -0.816 -8.993 3.988 1.00 0.00 H new ATOM 0 HA LEU B 34 0.761 -9.632 6.109 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.252 -7.060 4.551 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.439 -8.217 5.120 1.00 0.00 H new ATOM 0 HG LEU B 34 0.388 -8.647 2.900 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.427 -8.957 1.519 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.417 -7.353 2.290 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.442 -8.651 2.949 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.369 -10.909 2.677 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.386 -10.610 4.106 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.617 -10.693 4.275 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.254 -6.513 6.540 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.449 -5.491 7.605 1.00 0.00 C ATOM 1582 C CYS B 35 -1.601 -5.927 8.518 1.00 0.00 C ATOM 1583 O CYS B 35 -2.664 -6.290 8.065 1.00 0.00 O ATOM 1584 CB CYS B 35 -0.762 -4.134 6.964 1.00 0.00 C ATOM 1585 SG CYS B 35 -1.857 -4.361 5.542 1.00 0.00 S ATOM 0 H CYS B 35 -0.524 -6.221 5.601 1.00 0.00 H new ATOM 0 HA CYS B 35 0.460 -5.397 8.198 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.233 -3.477 7.695 1.00 0.00 H new ATOM 0 HB3 CYS B 35 0.162 -3.649 6.649 1.00 0.00 H new ATOM 1590 N SER B 36 -1.378 -5.921 9.802 1.00 0.00 N ATOM 1591 CA SER B 36 -2.439 -6.348 10.761 1.00 0.00 C ATOM 1592 C SER B 36 -3.634 -5.382 10.750 1.00 0.00 C ATOM 1593 O SER B 36 -4.286 -5.201 11.759 1.00 0.00 O ATOM 1594 CB SER B 36 -1.849 -6.399 12.170 1.00 0.00 C ATOM 1595 OG SER B 36 -2.772 -7.036 13.044 1.00 0.00 O ATOM 0 H SER B 36 -0.499 -5.636 10.234 1.00 0.00 H new ATOM 0 HA SER B 36 -2.795 -7.332 10.457 1.00 0.00 H new ATOM 0 HB2 SER B 36 -0.904 -6.943 12.161 1.00 0.00 H new ATOM 0 HB3 SER B 36 -1.633 -5.391 12.523 1.00 0.00 H new ATOM 0 HG SER B 36 -3.656 -6.625 12.942 1.00 0.00 H new ATOM 1601 N GLN B 37 -3.945 -4.753 9.642 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.113 -3.812 9.642 1.00 0.00 C ATOM 1603 C GLN B 37 -5.719 -3.683 8.236 1.00 0.00 C ATOM 1604 O GLN B 37 -5.671 -2.620 7.651 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.649 -2.433 10.122 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.354 -2.043 9.405 1.00 0.00 C ATOM 1607 CD GLN B 37 -3.050 -0.567 9.669 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -2.447 -0.229 10.668 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -3.445 0.331 8.810 1.00 0.00 N ATOM 0 H GLN B 37 -3.453 -4.846 8.753 1.00 0.00 H new ATOM 0 HA GLN B 37 -5.877 -4.208 10.311 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.422 -1.690 9.925 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.488 -2.448 11.200 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.530 -2.664 9.757 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.451 -2.219 8.334 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -3.951 0.047 7.971 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -3.248 1.318 8.977 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.297 -4.755 7.737 1.00 0.00 N ATOM 1619 CA PRO B 38 -6.939 -4.738 6.408 1.00 0.00 C ATOM 1620 C PRO B 38 -8.218 -3.892 6.479 1.00 0.00 C ATOM 1621 O PRO B 38 -8.615 -3.432 7.531 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.268 -6.220 6.112 1.00 0.00 C ATOM 1623 CG PRO B 38 -7.013 -7.021 7.423 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.353 -6.059 8.436 1.00 0.00 C ATOM 0 HA PRO B 38 -6.309 -4.307 5.630 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.304 -6.327 5.792 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.643 -6.598 5.303 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -7.949 -7.413 7.821 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.366 -7.877 7.230 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -6.936 -5.991 9.355 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.357 -6.401 8.715 1.00 0.00 H new ATOM 1632 N ALA B 39 -8.864 -3.695 5.368 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.115 -2.899 5.347 1.00 0.00 C ATOM 1634 C ALA B 39 -10.795 -3.115 4.000 1.00 0.00 C ATOM 1635 O ALA B 39 -10.236 -3.729 3.112 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.785 -1.415 5.519 1.00 0.00 C ATOM 0 H ALA B 39 -8.573 -4.058 4.460 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.772 -3.211 6.158 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.707 -0.833 5.503 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.276 -1.263 6.471 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.136 -1.090 4.705 1.00 0.00 H new ATOM 1642 N VAL B 40 -11.984 -2.606 3.823 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.679 -2.772 2.512 1.00 0.00 C ATOM 1644 C VAL B 40 -12.467 -1.492 1.706 1.00 0.00 C ATOM 1645 O VAL B 40 -12.398 -0.408 2.250 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.178 -3.009 2.739 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -14.941 -2.796 1.427 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.392 -4.448 3.211 1.00 0.00 C ATOM 0 H VAL B 40 -12.504 -2.083 4.527 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.277 -3.630 1.974 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.544 -2.309 3.490 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -16.005 -2.965 1.593 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.786 -1.775 1.078 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.575 -3.496 0.676 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.455 -4.623 3.374 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -14.023 -5.138 2.453 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -13.850 -4.610 4.143 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.346 -1.621 0.413 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.114 -0.430 -0.464 1.00 0.00 C ATOM 1660 C VAL B 41 -13.244 -0.322 -1.494 1.00 0.00 C ATOM 1661 O VAL B 41 -13.447 -1.205 -2.296 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.770 -0.609 -1.169 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.283 0.726 -1.717 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.746 -1.139 -0.161 1.00 0.00 C ATOM 0 H VAL B 41 -12.398 -2.511 -0.082 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.100 0.484 0.130 1.00 0.00 H new ATOM 0 HB VAL B 41 -10.888 -1.312 -1.994 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.325 0.586 -2.217 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -11.011 1.114 -2.429 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.164 1.434 -0.897 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.783 -1.270 -0.655 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.640 -0.428 0.658 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -10.085 -2.097 0.233 1.00 0.00 H new ATOM 1674 N PHE B 42 -13.992 0.752 -1.475 1.00 0.00 N ATOM 1675 CA PHE B 42 -15.116 0.896 -2.451 1.00 0.00 C ATOM 1676 C PHE B 42 -14.639 1.617 -3.716 1.00 0.00 C ATOM 1677 O PHE B 42 -13.940 2.609 -3.657 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.248 1.714 -1.819 1.00 0.00 C ATOM 1679 CG PHE B 42 -16.983 0.880 -0.793 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.697 -0.267 -1.196 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -16.964 1.253 0.566 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.388 -1.037 -0.242 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.656 0.483 1.519 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.369 -0.663 1.115 1.00 0.00 C ATOM 0 H PHE B 42 -13.874 1.533 -0.829 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.472 -0.100 -2.714 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -15.841 2.609 -1.348 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -16.941 2.048 -2.591 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.714 -0.555 -2.237 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.417 2.131 0.876 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -18.934 -1.916 -0.551 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.641 0.770 2.560 1.00 0.00 H new ATOM 0 HZ PHE B 42 -18.901 -1.254 1.846 1.00 0.00 H new ATOM 1694 N GLN B 43 -15.048 1.133 -4.860 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.668 1.783 -6.151 1.00 0.00 C ATOM 1696 C GLN B 43 -15.869 2.616 -6.615 1.00 0.00 C ATOM 1697 O GLN B 43 -16.958 2.092 -6.773 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.346 0.693 -7.176 1.00 0.00 C ATOM 1699 CG GLN B 43 -13.129 -0.107 -6.704 1.00 0.00 C ATOM 1700 CD GLN B 43 -13.025 -1.404 -7.509 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -12.608 -2.421 -6.992 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -13.389 -1.410 -8.762 1.00 0.00 N ATOM 0 H GLN B 43 -15.636 0.305 -4.956 1.00 0.00 H new ATOM 0 HA GLN B 43 -13.793 2.422 -6.036 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -15.203 0.032 -7.301 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -14.145 1.142 -8.149 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -12.222 0.484 -6.829 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -13.219 -0.333 -5.641 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -13.739 -0.556 -9.195 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -13.323 -2.269 -9.308 1.00 0.00 H new ATOM 1711 N THR B 44 -15.707 3.916 -6.787 1.00 0.00 N ATOM 1712 CA THR B 44 -16.891 4.767 -7.179 1.00 0.00 C ATOM 1713 C THR B 44 -16.918 5.075 -8.678 1.00 0.00 C ATOM 1714 O THR B 44 -16.309 4.404 -9.487 1.00 0.00 O ATOM 1715 CB THR B 44 -16.835 6.091 -6.422 1.00 0.00 C ATOM 1716 OG1 THR B 44 -15.944 6.970 -7.090 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.344 5.844 -4.995 1.00 0.00 C ATOM 0 H THR B 44 -14.825 4.417 -6.676 1.00 0.00 H new ATOM 0 HA THR B 44 -17.789 4.202 -6.929 1.00 0.00 H new ATOM 0 HB THR B 44 -17.829 6.537 -6.385 1.00 0.00 H new ATOM 0 HG1 THR B 44 -16.263 7.892 -6.996 1.00 0.00 H new ATOM 0 HG21 THR B 44 -16.304 6.790 -4.455 1.00 0.00 H new ATOM 0 HG22 THR B 44 -17.029 5.165 -4.487 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.349 5.401 -5.024 1.00 0.00 H new ATOM 1725 N LYS B 45 -17.655 6.104 -9.035 1.00 0.00 N ATOM 1726 CA LYS B 45 -17.789 6.514 -10.466 1.00 0.00 C ATOM 1727 C LYS B 45 -17.015 7.810 -10.720 1.00 0.00 C ATOM 1728 O LYS B 45 -16.638 8.102 -11.838 1.00 0.00 O ATOM 1729 CB LYS B 45 -19.260 6.780 -10.771 1.00 0.00 C ATOM 1730 CG LYS B 45 -20.089 5.556 -10.411 1.00 0.00 C ATOM 1731 CD LYS B 45 -21.548 5.798 -10.811 1.00 0.00 C ATOM 1732 CE LYS B 45 -22.270 4.462 -10.915 1.00 0.00 C ATOM 1733 NZ LYS B 45 -21.818 3.745 -12.141 1.00 0.00 N ATOM 0 H LYS B 45 -18.177 6.685 -8.379 1.00 0.00 H new ATOM 0 HA LYS B 45 -17.395 5.717 -11.097 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -19.608 7.645 -10.206 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -19.385 7.018 -11.827 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -19.701 4.676 -10.923 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -20.021 5.358 -9.341 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -22.039 6.433 -10.073 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -21.593 6.324 -11.765 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -22.066 3.857 -10.031 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -23.348 4.621 -10.951 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -22.015 2.729 -12.041 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -22.327 4.117 -12.968 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -20.796 3.888 -12.270 1.00 0.00 H new ATOM 1747 N ARG B 46 -16.795 8.604 -9.695 1.00 0.00 N ATOM 1748 CA ARG B 46 -16.067 9.902 -9.876 1.00 0.00 C ATOM 1749 C ARG B 46 -14.948 9.982 -8.836 1.00 0.00 C ATOM 1750 O ARG B 46 -14.827 10.931 -8.093 1.00 0.00 O ATOM 1751 CB ARG B 46 -17.060 11.067 -9.685 1.00 0.00 C ATOM 1752 CG ARG B 46 -16.566 12.346 -10.396 1.00 0.00 C ATOM 1753 CD ARG B 46 -15.432 13.014 -9.611 1.00 0.00 C ATOM 1754 NE ARG B 46 -15.266 14.416 -10.088 1.00 0.00 N ATOM 1755 CZ ARG B 46 -14.576 15.269 -9.382 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -14.024 14.893 -8.261 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -14.437 16.498 -9.797 1.00 0.00 N ATOM 0 H ARG B 46 -17.090 8.407 -8.739 1.00 0.00 H new ATOM 0 HA ARG B 46 -15.637 9.965 -10.876 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -18.036 10.784 -10.078 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -17.190 11.266 -8.621 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -16.220 12.097 -11.399 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -17.394 13.045 -10.509 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -15.657 13.004 -8.544 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -14.504 12.459 -9.746 1.00 0.00 H new ATOM 0 HE ARG B 46 -15.692 14.709 -10.967 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -14.132 13.932 -7.937 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -13.485 15.560 -7.709 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -14.868 16.792 -10.674 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -13.898 17.165 -9.245 1.00 0.00 H new ATOM 1771 N SER B 47 -14.125 8.979 -8.787 1.00 0.00 N ATOM 1772 CA SER B 47 -13.003 8.975 -7.827 1.00 0.00 C ATOM 1773 C SER B 47 -12.079 7.824 -8.198 1.00 0.00 C ATOM 1774 O SER B 47 -11.590 7.741 -9.306 1.00 0.00 O ATOM 1775 CB SER B 47 -13.519 8.819 -6.395 1.00 0.00 C ATOM 1776 OG SER B 47 -13.908 7.474 -6.160 1.00 0.00 O ATOM 0 H SER B 47 -14.186 8.152 -9.381 1.00 0.00 H new ATOM 0 HA SER B 47 -12.462 9.920 -7.873 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.743 9.110 -5.687 1.00 0.00 H new ATOM 0 HB3 SER B 47 -14.366 9.485 -6.231 1.00 0.00 H new ATOM 0 HG SER B 47 -14.773 7.304 -6.588 1.00 0.00 H new ATOM 1782 N LYS B 48 -11.858 6.930 -7.296 1.00 0.00 N ATOM 1783 CA LYS B 48 -10.986 5.768 -7.587 1.00 0.00 C ATOM 1784 C LYS B 48 -11.314 4.676 -6.586 1.00 0.00 C ATOM 1785 O LYS B 48 -12.176 3.846 -6.803 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.511 6.164 -7.432 1.00 0.00 C ATOM 1787 CG LYS B 48 -9.089 7.098 -8.572 1.00 0.00 C ATOM 1788 CD LYS B 48 -7.561 7.155 -8.649 1.00 0.00 C ATOM 1789 CE LYS B 48 -7.144 8.001 -9.853 1.00 0.00 C ATOM 1790 NZ LYS B 48 -7.395 7.238 -11.108 1.00 0.00 N ATOM 0 H LYS B 48 -12.248 6.950 -6.354 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.153 5.424 -8.608 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.359 6.658 -6.472 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -8.886 5.271 -7.433 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.498 6.742 -9.518 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.493 8.097 -8.406 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -7.155 7.583 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -7.153 6.148 -8.739 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -7.704 8.936 -9.865 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -6.088 8.263 -9.779 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -6.875 7.680 -11.893 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -7.072 6.257 -10.988 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -8.413 7.244 -11.320 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.629 4.695 -5.475 1.00 0.00 N ATOM 1805 CA GLN B 49 -10.853 3.687 -4.404 1.00 0.00 C ATOM 1806 C GLN B 49 -11.060 4.438 -3.081 1.00 0.00 C ATOM 1807 O GLN B 49 -10.484 5.487 -2.857 1.00 0.00 O ATOM 1808 CB GLN B 49 -9.598 2.788 -4.314 1.00 0.00 C ATOM 1809 CG GLN B 49 -9.808 1.459 -5.059 1.00 0.00 C ATOM 1810 CD GLN B 49 -9.738 1.697 -6.569 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -9.531 2.810 -7.010 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -9.899 0.692 -7.384 1.00 0.00 N ATOM 0 H GLN B 49 -9.907 5.384 -5.262 1.00 0.00 H new ATOM 0 HA GLN B 49 -11.726 3.069 -4.615 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -8.741 3.313 -4.737 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -9.365 2.588 -3.268 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -9.047 0.739 -4.759 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -10.774 1.031 -4.793 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -10.073 -0.242 -7.013 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -9.851 0.840 -8.392 1.00 0.00 H new ATOM 1821 N VAL B 50 -11.876 3.911 -2.204 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.121 4.586 -0.892 1.00 0.00 C ATOM 1823 C VAL B 50 -12.099 3.546 0.217 1.00 0.00 C ATOM 1824 O VAL B 50 -12.877 2.618 0.224 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.486 5.280 -0.916 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.583 6.245 0.272 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.646 6.048 -2.238 1.00 0.00 C ATOM 0 H VAL B 50 -12.386 3.038 -2.340 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.344 5.329 -0.714 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.281 4.538 -0.840 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.553 6.742 0.259 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.472 5.689 1.203 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.792 6.992 0.200 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.617 6.542 -2.256 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -12.857 6.795 -2.323 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.578 5.352 -3.074 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.216 3.701 1.158 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.136 2.722 2.269 1.00 0.00 C ATOM 1839 C CYS B 51 -12.335 2.916 3.193 1.00 0.00 C ATOM 1840 O CYS B 51 -12.824 4.014 3.368 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.843 2.955 3.049 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.427 2.513 2.012 1.00 0.00 S ATOM 0 H CYS B 51 -10.544 4.467 1.205 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.143 1.707 1.873 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.773 3.999 3.354 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.842 2.356 3.960 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.819 1.851 3.775 1.00 0.00 N ATOM 1848 CA ALA B 52 -14.001 1.956 4.684 1.00 0.00 C ATOM 1849 C ALA B 52 -13.791 1.047 5.897 1.00 0.00 C ATOM 1850 O ALA B 52 -13.393 -0.095 5.771 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.258 1.512 3.931 1.00 0.00 C ATOM 0 H ALA B 52 -12.446 0.909 3.660 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.117 2.988 5.016 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.123 1.587 4.590 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.407 2.153 3.062 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.140 0.479 3.603 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.051 1.551 7.072 1.00 0.00 N ATOM 1858 CA ASP B 53 -13.864 0.728 8.299 1.00 0.00 C ATOM 1859 C ASP B 53 -14.914 -0.414 8.316 1.00 0.00 C ATOM 1860 O ASP B 53 -16.094 -0.126 8.360 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.072 1.622 9.524 1.00 0.00 C ATOM 1862 CG ASP B 53 -14.053 0.769 10.793 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -13.726 -0.402 10.692 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -14.363 1.301 11.846 1.00 0.00 O ATOM 0 H ASP B 53 -14.386 2.501 7.235 1.00 0.00 H new ATOM 0 HA ASP B 53 -12.862 0.300 8.313 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -13.289 2.379 9.571 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -15.022 2.151 9.444 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.495 -1.677 8.278 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.462 -2.799 8.286 1.00 0.00 C ATOM 1871 C PRO B 54 -16.312 -2.772 9.568 1.00 0.00 C ATOM 1872 O PRO B 54 -17.205 -3.577 9.746 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.596 -4.078 8.232 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.106 -3.639 8.176 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.072 -2.095 8.222 1.00 0.00 C ATOM 0 HA PRO B 54 -16.159 -2.744 7.450 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -14.778 -4.700 9.108 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -14.851 -4.676 7.357 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.551 -4.059 9.015 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.633 -4.005 7.265 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.522 -1.739 9.093 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.575 -1.685 7.342 1.00 0.00 H new ATOM 1883 N SER B 55 -16.025 -1.877 10.466 1.00 0.00 N ATOM 1884 CA SER B 55 -16.798 -1.825 11.741 1.00 0.00 C ATOM 1885 C SER B 55 -18.176 -1.200 11.502 1.00 0.00 C ATOM 1886 O SER B 55 -19.106 -1.433 12.249 1.00 0.00 O ATOM 1887 CB SER B 55 -16.033 -0.984 12.765 1.00 0.00 C ATOM 1888 OG SER B 55 -16.403 0.381 12.619 1.00 0.00 O ATOM 0 H SER B 55 -15.289 -1.177 10.376 1.00 0.00 H new ATOM 0 HA SER B 55 -16.928 -2.840 12.116 1.00 0.00 H new ATOM 0 HB2 SER B 55 -16.256 -1.328 13.775 1.00 0.00 H new ATOM 0 HB3 SER B 55 -14.959 -1.100 12.619 1.00 0.00 H new ATOM 0 HG SER B 55 -15.597 0.938 12.596 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.322 -0.412 10.473 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.649 0.216 10.203 1.00 0.00 C ATOM 1896 C GLU B 56 -20.550 -0.790 9.480 1.00 0.00 C ATOM 1897 O GLU B 56 -20.243 -1.265 8.405 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.458 1.468 9.341 1.00 0.00 C ATOM 1899 CG GLU B 56 -19.027 2.653 10.217 1.00 0.00 C ATOM 1900 CD GLU B 56 -17.858 2.243 11.116 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -16.965 1.575 10.627 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -17.879 2.606 12.281 1.00 0.00 O ATOM 0 H GLU B 56 -17.584 -0.176 9.809 1.00 0.00 H new ATOM 0 HA GLU B 56 -20.118 0.503 11.144 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.706 1.280 8.575 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.387 1.708 8.824 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -18.735 3.494 9.588 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -19.865 2.988 10.827 1.00 0.00 H new ATOM 1909 N SER B 57 -21.654 -1.123 10.083 1.00 0.00 N ATOM 1910 CA SER B 57 -22.593 -2.107 9.475 1.00 0.00 C ATOM 1911 C SER B 57 -22.919 -1.750 8.021 1.00 0.00 C ATOM 1912 O SER B 57 -23.046 -2.621 7.183 1.00 0.00 O ATOM 1913 CB SER B 57 -23.888 -2.131 10.288 1.00 0.00 C ATOM 1914 OG SER B 57 -23.603 -2.563 11.612 1.00 0.00 O ATOM 0 H SER B 57 -21.951 -0.750 10.985 1.00 0.00 H new ATOM 0 HA SER B 57 -22.114 -3.086 9.485 1.00 0.00 H new ATOM 0 HB2 SER B 57 -24.338 -1.138 10.306 1.00 0.00 H new ATOM 0 HB3 SER B 57 -24.611 -2.801 9.822 1.00 0.00 H new ATOM 0 HG SER B 57 -24.431 -2.578 12.137 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.081 -0.493 7.706 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.426 -0.141 6.299 1.00 0.00 C ATOM 1922 C TRP B 58 -22.314 -0.615 5.367 1.00 0.00 C ATOM 1923 O TRP B 58 -22.553 -0.962 4.229 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.672 1.372 6.163 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.390 2.143 6.057 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -21.850 2.884 7.051 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.507 2.299 4.905 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.689 3.479 6.588 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.430 3.146 5.276 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.530 1.787 3.586 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.410 3.477 4.371 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -20.505 2.118 2.673 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -19.447 2.961 3.067 1.00 0.00 C ATOM 0 H TRP B 58 -22.991 0.293 8.350 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.350 -0.645 6.016 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.283 1.562 5.281 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.238 1.726 7.025 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.258 2.994 8.045 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -20.097 4.090 7.150 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -22.336 1.139 3.276 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.602 4.125 4.676 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -20.532 1.723 1.668 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.665 3.210 2.365 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.106 -0.665 5.845 1.00 0.00 N ATOM 1945 CA VAL B 59 -19.996 -1.143 4.981 1.00 0.00 C ATOM 1946 C VAL B 59 -20.213 -2.623 4.695 1.00 0.00 C ATOM 1947 O VAL B 59 -20.136 -3.068 3.567 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.669 -0.940 5.708 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.517 -1.478 4.853 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.475 0.554 5.959 1.00 0.00 C ATOM 0 H VAL B 59 -20.839 -0.397 6.792 1.00 0.00 H new ATOM 0 HA VAL B 59 -19.974 -0.586 4.044 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.680 -1.478 6.656 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.574 -1.329 5.379 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.666 -2.542 4.669 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.490 -0.946 3.902 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.530 0.716 6.478 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.461 1.084 5.007 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.295 0.930 6.571 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.506 -3.387 5.706 1.00 0.00 N ATOM 1961 CA GLN B 60 -20.751 -4.839 5.488 1.00 0.00 C ATOM 1962 C GLN B 60 -22.006 -5.013 4.628 1.00 0.00 C ATOM 1963 O GLN B 60 -22.101 -5.918 3.823 1.00 0.00 O ATOM 1964 CB GLN B 60 -20.954 -5.532 6.837 1.00 0.00 C ATOM 1965 CG GLN B 60 -21.106 -7.039 6.619 1.00 0.00 C ATOM 1966 CD GLN B 60 -21.259 -7.738 7.971 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -21.568 -7.107 8.963 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -21.054 -9.024 8.055 1.00 0.00 N ATOM 0 H GLN B 60 -20.587 -3.071 6.673 1.00 0.00 H new ATOM 0 HA GLN B 60 -19.895 -5.284 4.981 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -20.106 -5.332 7.492 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -21.840 -5.134 7.333 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -21.975 -7.241 5.993 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -20.236 -7.430 6.092 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -20.795 -9.554 7.223 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -21.153 -9.499 8.952 1.00 0.00 H new ATOM 1977 N GLU B 61 -22.972 -4.149 4.797 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.229 -4.255 3.999 1.00 0.00 C ATOM 1979 C GLU B 61 -23.933 -4.013 2.516 1.00 0.00 C ATOM 1980 O GLU B 61 -24.321 -4.785 1.662 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.233 -3.212 4.492 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.593 -3.462 3.837 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.593 -2.410 4.320 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -28.124 -2.579 5.406 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -27.812 -1.452 3.596 1.00 0.00 O ATOM 0 H GLU B 61 -22.944 -3.371 5.456 1.00 0.00 H new ATOM 0 HA GLU B 61 -24.645 -5.255 4.121 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.325 -3.265 5.577 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -24.880 -2.209 4.250 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -26.499 -3.419 2.752 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -26.951 -4.461 4.087 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.252 -2.947 2.204 1.00 0.00 N ATOM 1993 CA TYR B 62 -22.937 -2.652 0.775 1.00 0.00 C ATOM 1994 C TYR B 62 -22.079 -3.781 0.194 1.00 0.00 C ATOM 1995 O TYR B 62 -22.220 -4.146 -0.956 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.172 -1.320 0.677 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.135 -0.145 0.704 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.083 -0.018 1.741 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -23.074 0.832 -0.312 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -24.965 1.082 1.758 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -23.956 1.928 -0.293 1.00 0.00 C ATOM 2002 CZ TYR B 62 -24.901 2.053 0.742 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.764 3.130 0.760 1.00 0.00 O ATOM 0 H TYR B 62 -22.899 -2.265 2.876 1.00 0.00 H new ATOM 0 HA TYR B 62 -23.866 -2.576 0.210 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.467 -1.238 1.504 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.588 -1.297 -0.243 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.133 -0.763 2.521 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.348 0.738 -1.106 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.691 1.179 2.552 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -23.908 2.673 -1.073 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.585 3.706 -0.013 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.199 -4.340 0.976 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.351 -5.443 0.459 1.00 0.00 C ATOM 2015 C VAL B 63 -21.246 -6.634 0.159 1.00 0.00 C ATOM 2016 O VAL B 63 -21.092 -7.314 -0.835 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.314 -5.829 1.515 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -18.578 -7.099 1.080 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.307 -4.689 1.677 1.00 0.00 C ATOM 0 H VAL B 63 -21.032 -4.080 1.948 1.00 0.00 H new ATOM 0 HA VAL B 63 -19.832 -5.128 -0.446 1.00 0.00 H new ATOM 0 HB VAL B 63 -19.818 -6.013 2.464 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -17.841 -7.369 1.836 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.294 -7.913 0.964 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.075 -6.920 0.130 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.567 -4.962 2.429 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -17.807 -4.507 0.725 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -18.828 -3.785 1.992 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.189 -6.886 1.018 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.107 -8.028 0.798 1.00 0.00 C ATOM 2031 C TYR B 64 -23.891 -7.800 -0.491 1.00 0.00 C ATOM 2032 O TYR B 64 -24.062 -8.690 -1.297 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.077 -8.128 1.980 1.00 0.00 C ATOM 2034 CG TYR B 64 -24.703 -9.504 2.015 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -23.937 -10.615 2.421 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.051 -9.678 1.642 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -24.519 -11.896 2.454 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -26.631 -10.960 1.675 1.00 0.00 C ATOM 2039 CZ TYR B 64 -25.865 -12.069 2.082 1.00 0.00 C ATOM 2040 OH TYR B 64 -26.435 -13.326 2.114 1.00 0.00 O ATOM 0 H TYR B 64 -22.363 -6.347 1.866 1.00 0.00 H new ATOM 0 HA TYR B 64 -22.536 -8.953 0.717 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -23.548 -7.935 2.913 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -24.853 -7.368 1.891 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -22.904 -10.484 2.707 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -26.639 -8.827 1.331 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -23.932 -12.747 2.765 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -27.664 -11.093 1.388 1.00 0.00 H new ATOM 0 HH TYR B 64 -27.371 -13.268 1.828 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.366 -6.605 -0.683 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.145 -6.295 -1.914 1.00 0.00 C ATOM 2052 C ASP B 65 -24.263 -6.512 -3.146 1.00 0.00 C ATOM 2053 O ASP B 65 -24.725 -6.928 -4.189 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.604 -4.835 -1.858 1.00 0.00 C ATOM 2055 CG ASP B 65 -26.829 -4.710 -0.948 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -26.879 -5.415 0.046 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -27.697 -3.911 -1.262 1.00 0.00 O ATOM 0 H ASP B 65 -24.249 -5.824 -0.038 1.00 0.00 H new ATOM 0 HA ASP B 65 -26.014 -6.951 -1.977 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -24.797 -4.205 -1.485 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -25.847 -4.482 -2.860 1.00 0.00 H new ATOM 2062 N LEU B 66 -22.998 -6.229 -3.030 1.00 0.00 N ATOM 2063 CA LEU B 66 -22.078 -6.413 -4.187 1.00 0.00 C ATOM 2064 C LEU B 66 -21.848 -7.908 -4.425 1.00 0.00 C ATOM 2065 O LEU B 66 -21.622 -8.342 -5.538 1.00 0.00 O ATOM 2066 CB LEU B 66 -20.744 -5.721 -3.869 1.00 0.00 C ATOM 2067 CG LEU B 66 -20.853 -4.204 -4.131 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -19.776 -3.463 -3.336 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.648 -3.902 -5.625 1.00 0.00 C ATOM 0 H LEU B 66 -22.558 -5.876 -2.180 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.513 -5.976 -5.086 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.473 -5.899 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -19.950 -6.147 -4.482 1.00 0.00 H new ATOM 0 HG LEU B 66 -21.845 -3.874 -3.823 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -19.857 -2.392 -3.524 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -19.912 -3.656 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -18.791 -3.812 -3.645 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -20.728 -2.828 -5.793 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -19.660 -4.245 -5.933 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.410 -4.418 -6.209 1.00 0.00 H new ATOM 2081 N GLU B 67 -21.912 -8.697 -3.392 1.00 0.00 N ATOM 2082 CA GLU B 67 -21.705 -10.164 -3.558 1.00 0.00 C ATOM 2083 C GLU B 67 -22.929 -10.770 -4.242 1.00 0.00 C ATOM 2084 O GLU B 67 -22.837 -11.753 -4.951 1.00 0.00 O ATOM 2085 CB GLU B 67 -21.525 -10.812 -2.185 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.162 -10.424 -1.621 1.00 0.00 C ATOM 2087 CD GLU B 67 -19.918 -11.171 -0.308 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -20.409 -10.715 0.711 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -19.243 -12.187 -0.346 1.00 0.00 O ATOM 0 H GLU B 67 -22.099 -8.391 -2.437 1.00 0.00 H new ATOM 0 HA GLU B 67 -20.817 -10.341 -4.165 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.317 -10.487 -1.510 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -21.602 -11.896 -2.269 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -19.378 -10.665 -2.339 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.120 -9.348 -1.452 1.00 0.00 H new