USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 862 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 80 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 98 TYR OH : rot 160:sc= 1.51 USER MOD Set 2.1: A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0972 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00392 USER MOD Single : A 5 SER OG : rot 32:sc= 0.554 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 29:sc= 1.21 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 26:sc= 0.0708 USER MOD Single : A 32 SER OG : rot -129:sc= 0.517 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 156:sc= -2.62! (180deg=-4!) USER MOD Single : A 73 HIS : no HD1:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 76 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.573) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.826 USER MOD Single : A 84 TYR OH : rot 148:sc= -0.677 USER MOD Single : A 88 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.322) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 152:sc= 0.879 USER MOD Single : A 93 MET CE :methyl -127:sc= -0.128 (180deg=-0.644) USER MOD Single : A 97 THR OG1 : rot -71:sc= -1.08 USER MOD Single : A 106 SER OG : rot 30:sc= 0.67 USER MOD Single : A 108 TYR OH : rot 180:sc= -0.329 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot -34:sc= 0.468 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.365 9.259 -11.572 1.00 0.00 N ATOM 2 CA GLY A 1 -17.338 8.245 -11.718 1.00 0.00 C ATOM 3 C GLY A 1 -17.916 6.853 -11.881 1.00 0.00 C ATOM 4 O GLY A 1 -19.134 6.674 -11.875 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.302 9.933 -12.362 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.302 8.807 -11.576 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.228 9.765 -10.673 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.719 8.481 -12.583 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.686 8.264 -10.845 1.00 0.00 H new ATOM 8 N SER A 2 -17.040 5.864 -12.030 1.00 0.00 N ATOM 9 CA SER A 2 -17.471 4.481 -12.201 1.00 0.00 C ATOM 10 C SER A 2 -16.301 3.520 -12.009 1.00 0.00 C ATOM 11 O SER A 2 -15.140 3.928 -12.020 1.00 0.00 O ATOM 12 CB SER A 2 -18.085 4.284 -13.588 1.00 0.00 C ATOM 13 OG SER A 2 -17.089 4.305 -14.595 1.00 0.00 O ATOM 0 H SER A 2 -16.028 5.995 -12.036 1.00 0.00 H new ATOM 0 HA SER A 2 -18.225 4.265 -11.444 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.620 3.335 -13.621 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.817 5.069 -13.780 1.00 0.00 H new ATOM 0 HG SER A 2 -17.507 4.175 -15.472 1.00 0.00 H new ATOM 19 N SER A 3 -16.617 2.241 -11.834 1.00 0.00 N ATOM 20 CA SER A 3 -15.594 1.221 -11.636 1.00 0.00 C ATOM 21 C SER A 3 -16.195 -0.178 -11.733 1.00 0.00 C ATOM 22 O SER A 3 -17.414 -0.340 -11.779 1.00 0.00 O ATOM 23 CB SER A 3 -14.918 1.405 -10.276 1.00 0.00 C ATOM 24 OG SER A 3 -13.697 0.688 -10.212 1.00 0.00 O ATOM 0 H SER A 3 -17.573 1.886 -11.825 1.00 0.00 H new ATOM 0 HA SER A 3 -14.848 1.332 -12.423 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.731 2.464 -10.100 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.586 1.063 -9.485 1.00 0.00 H new ATOM 0 HG SER A 3 -13.284 0.823 -9.334 1.00 0.00 H new ATOM 30 N GLY A 4 -15.329 -1.186 -11.765 1.00 0.00 N ATOM 31 CA GLY A 4 -15.792 -2.559 -11.857 1.00 0.00 C ATOM 32 C GLY A 4 -14.752 -3.554 -11.383 1.00 0.00 C ATOM 33 O GLY A 4 -13.610 -3.186 -11.109 1.00 0.00 O ATOM 0 H GLY A 4 -14.315 -1.077 -11.729 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.698 -2.674 -11.262 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.058 -2.781 -12.890 1.00 0.00 H new ATOM 37 N SER A 5 -15.148 -4.819 -11.283 1.00 0.00 N ATOM 38 CA SER A 5 -14.243 -5.870 -10.834 1.00 0.00 C ATOM 39 C SER A 5 -14.719 -7.239 -11.313 1.00 0.00 C ATOM 40 O SER A 5 -15.859 -7.393 -11.752 1.00 0.00 O ATOM 41 CB SER A 5 -14.135 -5.861 -9.308 1.00 0.00 C ATOM 42 OG SER A 5 -13.124 -4.968 -8.874 1.00 0.00 O ATOM 0 H SER A 5 -16.090 -5.141 -11.507 1.00 0.00 H new ATOM 0 HA SER A 5 -13.260 -5.676 -11.263 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.092 -5.571 -8.874 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.915 -6.867 -8.950 1.00 0.00 H new ATOM 0 HG SER A 5 -13.065 -4.213 -9.496 1.00 0.00 H new ATOM 48 N SER A 6 -13.837 -8.229 -11.225 1.00 0.00 N ATOM 49 CA SER A 6 -14.164 -9.584 -11.652 1.00 0.00 C ATOM 50 C SER A 6 -13.412 -10.614 -10.815 1.00 0.00 C ATOM 51 O SER A 6 -12.511 -10.272 -10.051 1.00 0.00 O ATOM 52 CB SER A 6 -13.827 -9.770 -13.133 1.00 0.00 C ATOM 53 OG SER A 6 -12.425 -9.771 -13.341 1.00 0.00 O ATOM 0 H SER A 6 -12.890 -8.118 -10.862 1.00 0.00 H new ATOM 0 HA SER A 6 -15.234 -9.735 -11.508 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.251 -10.708 -13.491 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.284 -8.970 -13.716 1.00 0.00 H new ATOM 0 HG SER A 6 -12.236 -9.893 -14.295 1.00 0.00 H new ATOM 59 N GLY A 7 -13.791 -11.880 -10.966 1.00 0.00 N ATOM 60 CA GLY A 7 -13.143 -12.942 -10.218 1.00 0.00 C ATOM 61 C GLY A 7 -13.387 -14.310 -10.824 1.00 0.00 C ATOM 62 O GLY A 7 -13.934 -14.422 -11.921 1.00 0.00 O ATOM 0 H GLY A 7 -14.534 -12.189 -11.592 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.070 -12.752 -10.178 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.507 -12.933 -9.191 1.00 0.00 H new ATOM 66 N ARG A 8 -12.979 -15.353 -10.108 1.00 0.00 N ATOM 67 CA ARG A 8 -13.154 -16.720 -10.584 1.00 0.00 C ATOM 68 C ARG A 8 -13.379 -17.677 -9.417 1.00 0.00 C ATOM 69 O ARG A 8 -13.031 -17.373 -8.276 1.00 0.00 O ATOM 70 CB ARG A 8 -11.932 -17.162 -11.391 1.00 0.00 C ATOM 71 CG ARG A 8 -11.764 -16.411 -12.702 1.00 0.00 C ATOM 72 CD ARG A 8 -12.867 -16.759 -13.689 1.00 0.00 C ATOM 73 NE ARG A 8 -12.640 -16.154 -14.999 1.00 0.00 N ATOM 74 CZ ARG A 8 -13.501 -16.239 -16.006 1.00 0.00 C ATOM 75 NH1 ARG A 8 -14.641 -16.899 -15.855 1.00 0.00 N ATOM 76 NH2 ARG A 8 -13.223 -15.662 -17.169 1.00 0.00 N ATOM 0 H ARG A 8 -12.526 -15.278 -9.197 1.00 0.00 H new ATOM 0 HA ARG A 8 -14.034 -16.744 -11.227 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -11.037 -17.022 -10.785 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.012 -18.229 -11.601 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.770 -15.338 -12.511 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.795 -16.651 -13.139 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.930 -17.842 -13.796 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.826 -16.422 -13.295 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.773 -15.638 -15.148 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -14.859 -17.343 -14.963 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.300 -16.962 -16.631 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.347 -15.153 -17.289 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.885 -15.728 -17.942 1.00 0.00 H new ATOM 90 N SER A 9 -13.964 -18.834 -9.711 1.00 0.00 N ATOM 91 CA SER A 9 -14.239 -19.834 -8.685 1.00 0.00 C ATOM 92 C SER A 9 -13.586 -21.167 -9.037 1.00 0.00 C ATOM 93 O SER A 9 -13.843 -21.756 -10.087 1.00 0.00 O ATOM 94 CB SER A 9 -15.748 -20.021 -8.519 1.00 0.00 C ATOM 95 OG SER A 9 -16.317 -18.953 -7.781 1.00 0.00 O ATOM 0 H SER A 9 -14.257 -19.102 -10.651 1.00 0.00 H new ATOM 0 HA SER A 9 -13.817 -19.480 -7.744 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.220 -20.081 -9.500 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.947 -20.965 -8.011 1.00 0.00 H new ATOM 0 HG SER A 9 -17.282 -19.096 -7.691 1.00 0.00 H new ATOM 101 N PRO A 10 -12.718 -21.655 -8.137 1.00 0.00 N ATOM 102 CA PRO A 10 -12.009 -22.923 -8.328 1.00 0.00 C ATOM 103 C PRO A 10 -12.940 -24.128 -8.231 1.00 0.00 C ATOM 104 O PRO A 10 -14.132 -23.984 -7.958 1.00 0.00 O ATOM 105 CB PRO A 10 -10.993 -22.938 -7.184 1.00 0.00 C ATOM 106 CG PRO A 10 -11.595 -22.071 -6.132 1.00 0.00 C ATOM 107 CD PRO A 10 -12.364 -21.006 -6.864 1.00 0.00 C ATOM 0 HA PRO A 10 -11.557 -22.992 -9.317 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.827 -23.950 -6.815 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.026 -22.554 -7.508 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.251 -22.647 -5.479 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.823 -21.631 -5.500 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.251 -20.698 -6.310 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.761 -20.112 -7.023 1.00 0.00 H new ATOM 115 N PHE A 11 -12.388 -25.316 -8.454 1.00 0.00 N ATOM 116 CA PHE A 11 -13.169 -26.546 -8.391 1.00 0.00 C ATOM 117 C PHE A 11 -13.910 -26.652 -7.061 1.00 0.00 C ATOM 118 O PHE A 11 -13.741 -25.815 -6.174 1.00 0.00 O ATOM 119 CB PHE A 11 -12.260 -27.762 -8.580 1.00 0.00 C ATOM 120 CG PHE A 11 -11.812 -27.960 -10.000 1.00 0.00 C ATOM 121 CD1 PHE A 11 -12.690 -28.441 -10.957 1.00 0.00 C ATOM 122 CD2 PHE A 11 -10.511 -27.667 -10.377 1.00 0.00 C ATOM 123 CE1 PHE A 11 -12.281 -28.625 -12.265 1.00 0.00 C ATOM 124 CE2 PHE A 11 -10.096 -27.848 -11.683 1.00 0.00 C ATOM 125 CZ PHE A 11 -10.982 -28.328 -12.628 1.00 0.00 C ATOM 0 H PHE A 11 -11.403 -25.453 -8.680 1.00 0.00 H new ATOM 0 HA PHE A 11 -13.904 -26.522 -9.195 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -11.383 -27.652 -7.942 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.787 -28.655 -8.246 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.707 -28.675 -10.678 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.814 -27.293 -9.642 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.976 -29.000 -13.001 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.080 -27.614 -11.964 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.659 -28.471 -13.649 1.00 0.00 H new ATOM 135 N LYS A 12 -14.732 -27.688 -6.931 1.00 0.00 N ATOM 136 CA LYS A 12 -15.499 -27.906 -5.711 1.00 0.00 C ATOM 137 C LYS A 12 -14.595 -28.378 -4.576 1.00 0.00 C ATOM 138 O LYS A 12 -14.296 -29.566 -4.461 1.00 0.00 O ATOM 139 CB LYS A 12 -16.605 -28.935 -5.957 1.00 0.00 C ATOM 140 CG LYS A 12 -17.833 -28.729 -5.087 1.00 0.00 C ATOM 141 CD LYS A 12 -18.600 -27.482 -5.492 1.00 0.00 C ATOM 142 CE LYS A 12 -20.072 -27.588 -5.122 1.00 0.00 C ATOM 143 NZ LYS A 12 -20.876 -28.199 -6.217 1.00 0.00 N ATOM 0 H LYS A 12 -14.884 -28.390 -7.656 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.951 -26.957 -5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -16.902 -28.893 -7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -16.207 -29.934 -5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.485 -29.599 -5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.531 -28.648 -4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -18.163 -26.610 -5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -18.504 -27.328 -6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -20.177 -28.186 -4.217 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -20.462 -26.596 -4.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -21.873 -28.254 -5.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -20.797 -27.615 -7.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -20.520 -29.156 -6.416 1.00 0.00 H new ATOM 157 N VAL A 13 -14.165 -27.439 -3.739 1.00 0.00 N ATOM 158 CA VAL A 13 -13.297 -27.759 -2.612 1.00 0.00 C ATOM 159 C VAL A 13 -13.080 -26.541 -1.723 1.00 0.00 C ATOM 160 O VAL A 13 -12.673 -25.478 -2.194 1.00 0.00 O ATOM 161 CB VAL A 13 -11.929 -28.284 -3.088 1.00 0.00 C ATOM 162 CG1 VAL A 13 -11.194 -27.216 -3.883 1.00 0.00 C ATOM 163 CG2 VAL A 13 -11.095 -28.747 -1.903 1.00 0.00 C ATOM 0 H VAL A 13 -14.404 -26.451 -3.820 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.798 -28.539 -2.039 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.095 -29.140 -3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.230 -27.605 -4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.788 -26.937 -4.754 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.037 -26.339 -3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.132 -29.115 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.936 -27.911 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.619 -29.547 -1.380 1.00 0.00 H new ATOM 173 N LYS A 14 -13.353 -26.701 -0.432 1.00 0.00 N ATOM 174 CA LYS A 14 -13.186 -25.615 0.526 1.00 0.00 C ATOM 175 C LYS A 14 -11.923 -25.813 1.358 1.00 0.00 C ATOM 176 O LYS A 14 -11.961 -26.422 2.427 1.00 0.00 O ATOM 177 CB LYS A 14 -14.407 -25.527 1.446 1.00 0.00 C ATOM 178 CG LYS A 14 -15.692 -25.173 0.718 1.00 0.00 C ATOM 179 CD LYS A 14 -16.363 -26.408 0.139 1.00 0.00 C ATOM 180 CE LYS A 14 -17.029 -27.240 1.224 1.00 0.00 C ATOM 181 NZ LYS A 14 -17.793 -28.385 0.654 1.00 0.00 N ATOM 0 H LYS A 14 -13.691 -27.573 -0.025 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.090 -24.683 -0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.538 -26.482 1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.218 -24.780 2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.376 -24.675 1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.475 -24.466 -0.083 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.107 -26.107 -0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.623 -27.014 -0.383 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.270 -27.615 1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -17.701 -26.608 1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.232 -28.928 1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.533 -28.026 0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.148 -29.002 0.121 1.00 0.00 H new ATOM 195 N VAL A 15 -10.805 -25.292 0.862 1.00 0.00 N ATOM 196 CA VAL A 15 -9.531 -25.409 1.561 1.00 0.00 C ATOM 197 C VAL A 15 -8.858 -24.049 1.708 1.00 0.00 C ATOM 198 O VAL A 15 -9.186 -23.101 0.993 1.00 0.00 O ATOM 199 CB VAL A 15 -8.574 -26.367 0.826 1.00 0.00 C ATOM 200 CG1 VAL A 15 -9.121 -27.786 0.845 1.00 0.00 C ATOM 201 CG2 VAL A 15 -8.341 -25.896 -0.601 1.00 0.00 C ATOM 0 H VAL A 15 -10.756 -24.785 -0.022 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.748 -25.812 2.550 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.616 -26.365 1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.432 -28.449 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.232 -28.120 1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.092 -27.808 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.663 -26.584 -1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.291 -25.867 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.902 -24.898 -0.588 1.00 0.00 H new ATOM 211 N LEU A 16 -7.914 -23.960 2.638 1.00 0.00 N ATOM 212 CA LEU A 16 -7.192 -22.716 2.879 1.00 0.00 C ATOM 213 C LEU A 16 -6.256 -22.395 1.718 1.00 0.00 C ATOM 214 O LEU A 16 -5.641 -23.280 1.122 1.00 0.00 O ATOM 215 CB LEU A 16 -6.394 -22.810 4.181 1.00 0.00 C ATOM 216 CG LEU A 16 -5.353 -23.927 4.251 1.00 0.00 C ATOM 217 CD1 LEU A 16 -4.013 -23.443 3.720 1.00 0.00 C ATOM 218 CD2 LEU A 16 -5.211 -24.435 5.678 1.00 0.00 C ATOM 0 H LEU A 16 -7.631 -24.735 3.238 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.923 -21.912 2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.888 -21.858 4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.095 -22.942 5.005 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.692 -24.752 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.285 -24.252 3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.125 -23.129 2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.667 -22.600 4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.466 -25.230 5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.896 -23.617 6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.169 -24.823 6.023 1.00 0.00 H new ATOM 230 N PRO A 17 -6.143 -21.100 1.389 1.00 0.00 N ATOM 231 CA PRO A 17 -5.282 -20.632 0.299 1.00 0.00 C ATOM 232 C PRO A 17 -3.800 -20.779 0.627 1.00 0.00 C ATOM 233 O PRO A 17 -3.399 -20.701 1.789 1.00 0.00 O ATOM 234 CB PRO A 17 -5.655 -19.154 0.162 1.00 0.00 C ATOM 235 CG PRO A 17 -6.171 -18.767 1.504 1.00 0.00 C ATOM 236 CD PRO A 17 -6.847 -19.992 2.057 1.00 0.00 C ATOM 0 HA PRO A 17 -5.430 -21.209 -0.614 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.791 -18.552 -0.118 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.410 -19.006 -0.610 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.360 -18.442 2.155 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.872 -17.935 1.428 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.750 -20.050 3.141 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.913 -19.999 1.831 1.00 0.00 H new ATOM 244 N THR A 18 -2.989 -20.993 -0.404 1.00 0.00 N ATOM 245 CA THR A 18 -1.551 -21.152 -0.226 1.00 0.00 C ATOM 246 C THR A 18 -0.914 -19.863 0.281 1.00 0.00 C ATOM 247 O THR A 18 0.014 -19.894 1.091 1.00 0.00 O ATOM 248 CB THR A 18 -0.864 -21.568 -1.540 1.00 0.00 C ATOM 249 OG1 THR A 18 -1.442 -22.783 -2.031 1.00 0.00 O ATOM 250 CG2 THR A 18 0.631 -21.759 -1.333 1.00 0.00 C ATOM 0 H THR A 18 -3.304 -21.060 -1.372 1.00 0.00 H new ATOM 0 HA THR A 18 -1.410 -21.940 0.514 1.00 0.00 H new ATOM 0 HB THR A 18 -1.014 -20.773 -2.270 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.001 -23.040 -2.868 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.094 -22.053 -2.275 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.073 -20.824 -0.987 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.799 -22.537 -0.588 1.00 0.00 H new ATOM 258 N TYR A 19 -1.418 -18.732 -0.198 1.00 0.00 N ATOM 259 CA TYR A 19 -0.896 -17.431 0.206 1.00 0.00 C ATOM 260 C TYR A 19 -1.220 -17.145 1.669 1.00 0.00 C ATOM 261 O TYR A 19 -1.993 -17.868 2.298 1.00 0.00 O ATOM 262 CB TYR A 19 -1.476 -16.328 -0.681 1.00 0.00 C ATOM 263 CG TYR A 19 -2.923 -16.009 -0.382 1.00 0.00 C ATOM 264 CD1 TYR A 19 -3.264 -15.101 0.613 1.00 0.00 C ATOM 265 CD2 TYR A 19 -3.950 -16.614 -1.096 1.00 0.00 C ATOM 266 CE1 TYR A 19 -4.585 -14.807 0.890 1.00 0.00 C ATOM 267 CE2 TYR A 19 -5.274 -16.324 -0.827 1.00 0.00 C ATOM 268 CZ TYR A 19 -5.586 -15.421 0.167 1.00 0.00 C ATOM 269 OH TYR A 19 -6.903 -15.129 0.439 1.00 0.00 O ATOM 0 H TYR A 19 -2.187 -18.689 -0.866 1.00 0.00 H new ATOM 0 HA TYR A 19 0.188 -17.450 0.089 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.880 -15.423 -0.558 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.387 -16.629 -1.725 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.483 -14.617 1.180 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.709 -17.323 -1.874 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.832 -14.100 1.668 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.060 -16.802 -1.392 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.970 -14.216 0.788 1.00 0.00 H new ATOM 279 N ASP A 20 -0.622 -16.087 2.204 1.00 0.00 N ATOM 280 CA ASP A 20 -0.846 -15.702 3.593 1.00 0.00 C ATOM 281 C ASP A 20 -0.589 -14.212 3.793 1.00 0.00 C ATOM 282 O ASP A 20 0.506 -13.719 3.521 1.00 0.00 O ATOM 283 CB ASP A 20 0.055 -16.517 4.522 1.00 0.00 C ATOM 284 CG ASP A 20 -0.602 -17.804 4.983 1.00 0.00 C ATOM 285 OD1 ASP A 20 -1.782 -17.755 5.388 1.00 0.00 O ATOM 286 OD2 ASP A 20 0.065 -18.859 4.939 1.00 0.00 O ATOM 0 H ASP A 20 0.022 -15.480 1.697 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.888 -15.908 3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.986 -16.752 4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.316 -15.914 5.392 1.00 0.00 H new ATOM 291 N ALA A 21 -1.605 -13.499 4.268 1.00 0.00 N ATOM 292 CA ALA A 21 -1.488 -12.066 4.505 1.00 0.00 C ATOM 293 C ALA A 21 -0.588 -11.779 5.702 1.00 0.00 C ATOM 294 O ALA A 21 0.328 -10.961 5.620 1.00 0.00 O ATOM 295 CB ALA A 21 -2.864 -11.452 4.718 1.00 0.00 C ATOM 0 H ALA A 21 -2.519 -13.891 4.496 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.032 -11.613 3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.761 -10.381 4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.477 -11.617 3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.340 -11.917 5.581 1.00 0.00 H new ATOM 301 N SER A 22 -0.856 -12.457 6.814 1.00 0.00 N ATOM 302 CA SER A 22 -0.073 -12.271 8.030 1.00 0.00 C ATOM 303 C SER A 22 1.422 -12.331 7.728 1.00 0.00 C ATOM 304 O SER A 22 2.235 -11.736 8.435 1.00 0.00 O ATOM 305 CB SER A 22 -0.439 -13.336 9.065 1.00 0.00 C ATOM 306 OG SER A 22 -1.813 -13.266 9.405 1.00 0.00 O ATOM 0 H SER A 22 -1.609 -13.140 6.898 1.00 0.00 H new ATOM 0 HA SER A 22 -0.305 -11.286 8.435 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.209 -14.326 8.670 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.168 -13.201 9.960 1.00 0.00 H new ATOM 0 HG SER A 22 -2.022 -13.958 10.067 1.00 0.00 H new ATOM 312 N LYS A 23 1.777 -13.056 6.672 1.00 0.00 N ATOM 313 CA LYS A 23 3.172 -13.195 6.274 1.00 0.00 C ATOM 314 C LYS A 23 3.579 -12.079 5.317 1.00 0.00 C ATOM 315 O LYS A 23 4.484 -12.246 4.500 1.00 0.00 O ATOM 316 CB LYS A 23 3.402 -14.556 5.613 1.00 0.00 C ATOM 317 CG LYS A 23 3.321 -15.724 6.581 1.00 0.00 C ATOM 318 CD LYS A 23 4.530 -15.771 7.500 1.00 0.00 C ATOM 319 CE LYS A 23 5.742 -16.365 6.798 1.00 0.00 C ATOM 320 NZ LYS A 23 7.015 -15.976 7.464 1.00 0.00 N ATOM 0 H LYS A 23 1.117 -13.556 6.077 1.00 0.00 H new ATOM 0 HA LYS A 23 3.788 -13.124 7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.663 -14.697 4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.382 -14.558 5.136 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.412 -15.641 7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.251 -16.657 6.022 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.765 -14.764 7.845 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.294 -16.364 8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.657 -17.452 6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.759 -16.033 5.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.817 -16.401 6.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.109 -14.940 7.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.010 -16.315 8.447 1.00 0.00 H new ATOM 334 N VAL A 24 2.905 -10.938 5.425 1.00 0.00 N ATOM 335 CA VAL A 24 3.198 -9.793 4.572 1.00 0.00 C ATOM 336 C VAL A 24 3.622 -8.585 5.399 1.00 0.00 C ATOM 337 O VAL A 24 2.904 -8.154 6.303 1.00 0.00 O ATOM 338 CB VAL A 24 1.980 -9.409 3.710 1.00 0.00 C ATOM 339 CG1 VAL A 24 2.240 -8.107 2.968 1.00 0.00 C ATOM 340 CG2 VAL A 24 1.643 -10.529 2.737 1.00 0.00 C ATOM 0 H VAL A 24 2.152 -10.782 6.095 1.00 0.00 H new ATOM 0 HA VAL A 24 4.019 -10.088 3.918 1.00 0.00 H new ATOM 0 HB VAL A 24 1.124 -9.259 4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.369 -7.852 2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.429 -7.310 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.108 -8.225 2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.780 -10.241 2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.496 -10.712 2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.411 -11.437 3.294 1.00 0.00 H new ATOM 350 N THR A 25 4.793 -8.040 5.084 1.00 0.00 N ATOM 351 CA THR A 25 5.314 -6.881 5.799 1.00 0.00 C ATOM 352 C THR A 25 6.001 -5.911 4.845 1.00 0.00 C ATOM 353 O THR A 25 6.336 -6.268 3.716 1.00 0.00 O ATOM 354 CB THR A 25 6.312 -7.299 6.895 1.00 0.00 C ATOM 355 OG1 THR A 25 7.361 -8.091 6.326 1.00 0.00 O ATOM 356 CG2 THR A 25 5.612 -8.088 7.992 1.00 0.00 C ATOM 0 H THR A 25 5.399 -8.383 4.338 1.00 0.00 H new ATOM 0 HA THR A 25 4.461 -6.387 6.264 1.00 0.00 H new ATOM 0 HB THR A 25 6.736 -6.396 7.333 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.992 -8.351 7.029 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.337 -8.372 8.755 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.834 -7.472 8.443 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.164 -8.985 7.565 1.00 0.00 H new ATOM 364 N ALA A 26 6.207 -4.682 5.307 1.00 0.00 N ATOM 365 CA ALA A 26 6.857 -3.660 4.495 1.00 0.00 C ATOM 366 C ALA A 26 7.788 -2.797 5.341 1.00 0.00 C ATOM 367 O ALA A 26 7.592 -2.656 6.548 1.00 0.00 O ATOM 368 CB ALA A 26 5.815 -2.794 3.803 1.00 0.00 C ATOM 0 H ALA A 26 5.933 -4.370 6.239 1.00 0.00 H new ATOM 0 HA ALA A 26 7.458 -4.161 3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.314 -2.035 3.200 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.193 -3.417 3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.190 -2.308 4.552 1.00 0.00 H new ATOM 374 N SER A 27 8.800 -2.222 4.699 1.00 0.00 N ATOM 375 CA SER A 27 9.764 -1.376 5.394 1.00 0.00 C ATOM 376 C SER A 27 10.262 -0.259 4.482 1.00 0.00 C ATOM 377 O SER A 27 10.322 -0.418 3.263 1.00 0.00 O ATOM 378 CB SER A 27 10.946 -2.213 5.888 1.00 0.00 C ATOM 379 OG SER A 27 10.681 -2.765 7.165 1.00 0.00 O ATOM 0 H SER A 27 8.974 -2.326 3.699 1.00 0.00 H new ATOM 0 HA SER A 27 9.264 -0.926 6.252 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.151 -3.014 5.178 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.841 -1.592 5.935 1.00 0.00 H new ATOM 0 HG SER A 27 9.713 -2.861 7.285 1.00 0.00 H new ATOM 385 N GLY A 28 10.619 0.872 5.083 1.00 0.00 N ATOM 386 CA GLY A 28 11.108 1.999 4.311 1.00 0.00 C ATOM 387 C GLY A 28 10.634 3.329 4.864 1.00 0.00 C ATOM 388 O GLY A 28 10.011 3.399 5.923 1.00 0.00 O ATOM 0 H GLY A 28 10.578 1.028 6.090 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.198 1.982 4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.776 1.899 3.278 1.00 0.00 H new ATOM 392 N PRO A 29 10.932 4.416 4.137 1.00 0.00 N ATOM 393 CA PRO A 29 10.543 5.770 4.542 1.00 0.00 C ATOM 394 C PRO A 29 9.038 5.995 4.441 1.00 0.00 C ATOM 395 O PRO A 29 8.446 6.683 5.272 1.00 0.00 O ATOM 396 CB PRO A 29 11.285 6.665 3.546 1.00 0.00 C ATOM 397 CG PRO A 29 11.491 5.808 2.346 1.00 0.00 C ATOM 398 CD PRO A 29 11.672 4.408 2.863 1.00 0.00 C ATOM 0 HA PRO A 29 10.791 5.971 5.584 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.703 7.554 3.302 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.235 7.009 3.955 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.636 5.868 1.672 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.365 6.131 1.781 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.271 3.669 2.170 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.725 4.167 3.011 1.00 0.00 H new ATOM 406 N GLY A 30 8.423 5.410 3.417 1.00 0.00 N ATOM 407 CA GLY A 30 6.992 5.558 3.228 1.00 0.00 C ATOM 408 C GLY A 30 6.202 5.193 4.469 1.00 0.00 C ATOM 409 O GLY A 30 5.157 5.784 4.744 1.00 0.00 O ATOM 0 H GLY A 30 8.891 4.836 2.715 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.770 6.588 2.950 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.671 4.928 2.399 1.00 0.00 H new ATOM 413 N LEU A 31 6.700 4.217 5.219 1.00 0.00 N ATOM 414 CA LEU A 31 6.032 3.772 6.438 1.00 0.00 C ATOM 415 C LEU A 31 6.862 4.118 7.670 1.00 0.00 C ATOM 416 O LEU A 31 6.772 3.448 8.699 1.00 0.00 O ATOM 417 CB LEU A 31 5.781 2.264 6.384 1.00 0.00 C ATOM 418 CG LEU A 31 5.131 1.737 5.104 1.00 0.00 C ATOM 419 CD1 LEU A 31 5.508 0.282 4.874 1.00 0.00 C ATOM 420 CD2 LEU A 31 3.619 1.895 5.171 1.00 0.00 C ATOM 0 H LEU A 31 7.564 3.718 5.005 1.00 0.00 H new ATOM 0 HA LEU A 31 5.076 4.290 6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.734 1.752 6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.148 1.991 7.228 1.00 0.00 H new ATOM 0 HG LEU A 31 5.501 2.323 4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.036 -0.076 3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.591 0.197 4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.168 -0.320 5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.172 1.515 4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.232 1.334 6.022 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.368 2.949 5.287 1.00 0.00 H new ATOM 432 N SER A 32 7.668 5.169 7.559 1.00 0.00 N ATOM 433 CA SER A 32 8.515 5.603 8.664 1.00 0.00 C ATOM 434 C SER A 32 7.670 6.085 9.839 1.00 0.00 C ATOM 435 O SER A 32 6.849 6.992 9.697 1.00 0.00 O ATOM 436 CB SER A 32 9.456 6.718 8.205 1.00 0.00 C ATOM 437 OG SER A 32 10.037 7.383 9.314 1.00 0.00 O ATOM 0 H SER A 32 7.752 5.736 6.715 1.00 0.00 H new ATOM 0 HA SER A 32 9.108 4.750 8.992 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.241 6.299 7.576 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.906 7.434 7.595 1.00 0.00 H new ATOM 0 HG SER A 32 9.910 8.350 9.219 1.00 0.00 H new ATOM 443 N SER A 33 7.878 5.473 11.000 1.00 0.00 N ATOM 444 CA SER A 33 7.133 5.836 12.200 1.00 0.00 C ATOM 445 C SER A 33 7.599 7.184 12.741 1.00 0.00 C ATOM 446 O SER A 33 6.803 7.966 13.262 1.00 0.00 O ATOM 447 CB SER A 33 7.298 4.759 13.274 1.00 0.00 C ATOM 448 OG SER A 33 6.225 4.793 14.199 1.00 0.00 O ATOM 0 H SER A 33 8.556 4.723 11.135 1.00 0.00 H new ATOM 0 HA SER A 33 6.079 5.915 11.933 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.346 3.777 12.804 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.241 4.907 13.800 1.00 0.00 H new ATOM 0 HG SER A 33 6.353 4.094 14.874 1.00 0.00 H new ATOM 454 N TYR A 34 8.895 7.450 12.614 1.00 0.00 N ATOM 455 CA TYR A 34 9.469 8.702 13.091 1.00 0.00 C ATOM 456 C TYR A 34 8.851 9.896 12.369 1.00 0.00 C ATOM 457 O TYR A 34 8.717 10.979 12.936 1.00 0.00 O ATOM 458 CB TYR A 34 10.985 8.701 12.893 1.00 0.00 C ATOM 459 CG TYR A 34 11.748 8.104 14.054 1.00 0.00 C ATOM 460 CD1 TYR A 34 12.115 8.883 15.144 1.00 0.00 C ATOM 461 CD2 TYR A 34 12.102 6.760 14.060 1.00 0.00 C ATOM 462 CE1 TYR A 34 12.812 8.342 16.207 1.00 0.00 C ATOM 463 CE2 TYR A 34 12.797 6.210 15.120 1.00 0.00 C ATOM 464 CZ TYR A 34 13.150 7.005 16.190 1.00 0.00 C ATOM 465 OH TYR A 34 13.844 6.461 17.246 1.00 0.00 O ATOM 0 H TYR A 34 9.567 6.815 12.184 1.00 0.00 H new ATOM 0 HA TYR A 34 9.248 8.790 14.155 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.224 8.144 11.987 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.323 9.725 12.736 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.851 9.930 15.161 1.00 0.00 H new ATOM 0 HD2 TYR A 34 11.829 6.135 13.222 1.00 0.00 H new ATOM 0 HE1 TYR A 34 13.090 8.962 17.046 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.062 5.163 15.111 1.00 0.00 H new ATOM 0 HH TYR A 34 14.002 5.509 17.078 1.00 0.00 H new ATOM 475 N GLY A 35 8.475 9.687 11.110 1.00 0.00 N ATOM 476 CA GLY A 35 7.875 10.753 10.329 1.00 0.00 C ATOM 477 C GLY A 35 8.283 10.703 8.870 1.00 0.00 C ATOM 478 O GLY A 35 9.319 10.134 8.527 1.00 0.00 O ATOM 0 H GLY A 35 8.575 8.799 10.618 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.790 10.686 10.402 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.164 11.715 10.751 1.00 0.00 H new ATOM 482 N VAL A 36 7.464 11.297 8.008 1.00 0.00 N ATOM 483 CA VAL A 36 7.745 11.317 6.577 1.00 0.00 C ATOM 484 C VAL A 36 7.864 12.746 6.060 1.00 0.00 C ATOM 485 O VAL A 36 7.255 13.677 6.589 1.00 0.00 O ATOM 486 CB VAL A 36 6.649 10.585 5.780 1.00 0.00 C ATOM 487 CG1 VAL A 36 6.634 9.104 6.128 1.00 0.00 C ATOM 488 CG2 VAL A 36 5.289 11.216 6.040 1.00 0.00 C ATOM 0 H VAL A 36 6.601 11.771 8.275 1.00 0.00 H new ATOM 0 HA VAL A 36 8.695 10.801 6.434 1.00 0.00 H new ATOM 0 HB VAL A 36 6.872 10.682 4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.853 8.604 5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.601 8.663 5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.437 8.983 7.193 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.527 10.686 5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.056 11.152 7.103 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.309 12.262 5.735 1.00 0.00 H new ATOM 498 N PRO A 37 8.667 12.928 5.001 1.00 0.00 N ATOM 499 CA PRO A 37 8.884 14.241 4.389 1.00 0.00 C ATOM 500 C PRO A 37 7.646 14.754 3.661 1.00 0.00 C ATOM 501 O PRO A 37 7.197 14.157 2.683 1.00 0.00 O ATOM 502 CB PRO A 37 10.021 13.986 3.395 1.00 0.00 C ATOM 503 CG PRO A 37 9.920 12.535 3.070 1.00 0.00 C ATOM 504 CD PRO A 37 9.424 11.864 4.320 1.00 0.00 C ATOM 0 HA PRO A 37 9.112 15.004 5.133 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.911 14.601 2.502 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.990 14.228 3.831 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.234 12.368 2.239 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.888 12.134 2.770 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.793 11.005 4.092 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.247 11.500 4.935 1.00 0.00 H new ATOM 512 N ALA A 38 7.099 15.864 4.145 1.00 0.00 N ATOM 513 CA ALA A 38 5.914 16.459 3.539 1.00 0.00 C ATOM 514 C ALA A 38 6.182 16.865 2.093 1.00 0.00 C ATOM 515 O ALA A 38 7.320 17.146 1.718 1.00 0.00 O ATOM 516 CB ALA A 38 5.453 17.660 4.350 1.00 0.00 C ATOM 0 H ALA A 38 7.457 16.370 4.955 1.00 0.00 H new ATOM 0 HA ALA A 38 5.122 15.710 3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.567 18.094 3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.212 17.343 5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.248 18.405 4.381 1.00 0.00 H new ATOM 522 N SER A 39 5.126 16.892 1.286 1.00 0.00 N ATOM 523 CA SER A 39 5.248 17.259 -0.120 1.00 0.00 C ATOM 524 C SER A 39 6.438 16.554 -0.764 1.00 0.00 C ATOM 525 O SER A 39 7.185 17.153 -1.539 1.00 0.00 O ATOM 526 CB SER A 39 5.401 18.774 -0.262 1.00 0.00 C ATOM 527 OG SER A 39 4.971 19.213 -1.539 1.00 0.00 O ATOM 0 H SER A 39 4.177 16.664 1.582 1.00 0.00 H new ATOM 0 HA SER A 39 4.339 16.943 -0.633 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.821 19.275 0.513 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.444 19.053 -0.110 1.00 0.00 H new ATOM 0 HG SER A 39 5.078 20.185 -1.604 1.00 0.00 H new ATOM 533 N LEU A 40 6.608 15.277 -0.439 1.00 0.00 N ATOM 534 CA LEU A 40 7.707 14.488 -0.985 1.00 0.00 C ATOM 535 C LEU A 40 7.243 13.078 -1.335 1.00 0.00 C ATOM 536 O LEU A 40 6.669 12.364 -0.512 1.00 0.00 O ATOM 537 CB LEU A 40 8.861 14.423 0.017 1.00 0.00 C ATOM 538 CG LEU A 40 10.179 13.858 -0.514 1.00 0.00 C ATOM 539 CD1 LEU A 40 9.991 12.427 -0.994 1.00 0.00 C ATOM 540 CD2 LEU A 40 10.722 14.732 -1.635 1.00 0.00 C ATOM 0 H LEU A 40 5.999 14.766 0.200 1.00 0.00 H new ATOM 0 HA LEU A 40 8.053 14.974 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.046 15.429 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.545 13.817 0.866 1.00 0.00 H new ATOM 0 HG LEU A 40 10.904 13.854 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.939 12.041 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.649 11.807 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.250 12.406 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.660 14.314 -2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.999 14.769 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.896 15.740 -1.259 1.00 0.00 H new ATOM 552 N PRO A 41 7.499 12.664 -2.585 1.00 0.00 N ATOM 553 CA PRO A 41 7.118 11.335 -3.072 1.00 0.00 C ATOM 554 C PRO A 41 7.943 10.224 -2.431 1.00 0.00 C ATOM 555 O PRO A 41 9.079 9.971 -2.832 1.00 0.00 O ATOM 556 CB PRO A 41 7.402 11.413 -4.574 1.00 0.00 C ATOM 557 CG PRO A 41 8.453 12.461 -4.707 1.00 0.00 C ATOM 558 CD PRO A 41 8.179 13.462 -3.619 1.00 0.00 C ATOM 0 HA PRO A 41 6.082 11.094 -2.832 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.747 10.455 -4.962 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.505 11.679 -5.133 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.449 12.031 -4.600 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.413 12.932 -5.689 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.099 13.908 -3.242 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.551 14.279 -3.974 1.00 0.00 H new ATOM 566 N VAL A 42 7.365 9.564 -1.433 1.00 0.00 N ATOM 567 CA VAL A 42 8.046 8.479 -0.737 1.00 0.00 C ATOM 568 C VAL A 42 7.426 7.130 -1.082 1.00 0.00 C ATOM 569 O VAL A 42 6.217 7.024 -1.284 1.00 0.00 O ATOM 570 CB VAL A 42 8.002 8.676 0.790 1.00 0.00 C ATOM 571 CG1 VAL A 42 6.563 8.704 1.283 1.00 0.00 C ATOM 572 CG2 VAL A 42 8.794 7.583 1.491 1.00 0.00 C ATOM 0 H VAL A 42 6.426 9.762 -1.088 1.00 0.00 H new ATOM 0 HA VAL A 42 9.084 8.494 -1.068 1.00 0.00 H new ATOM 0 HB VAL A 42 8.461 9.635 1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.551 8.844 2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.031 9.526 0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.075 7.762 1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.752 7.738 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.366 6.610 1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.832 7.616 1.160 1.00 0.00 H new ATOM 582 N ASP A 43 8.263 6.100 -1.148 1.00 0.00 N ATOM 583 CA ASP A 43 7.798 4.756 -1.468 1.00 0.00 C ATOM 584 C ASP A 43 8.464 3.721 -0.566 1.00 0.00 C ATOM 585 O ASP A 43 9.642 3.842 -0.230 1.00 0.00 O ATOM 586 CB ASP A 43 8.082 4.430 -2.935 1.00 0.00 C ATOM 587 CG ASP A 43 9.451 4.906 -3.379 1.00 0.00 C ATOM 588 OD1 ASP A 43 10.451 4.244 -3.029 1.00 0.00 O ATOM 589 OD2 ASP A 43 9.523 5.940 -4.076 1.00 0.00 O ATOM 0 H ASP A 43 9.267 6.171 -0.984 1.00 0.00 H new ATOM 0 HA ASP A 43 6.722 4.721 -1.298 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.008 3.353 -3.086 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.319 4.892 -3.561 1.00 0.00 H new ATOM 594 N PHE A 44 7.702 2.705 -0.176 1.00 0.00 N ATOM 595 CA PHE A 44 8.217 1.650 0.689 1.00 0.00 C ATOM 596 C PHE A 44 8.401 0.350 -0.089 1.00 0.00 C ATOM 597 O PHE A 44 8.147 0.293 -1.292 1.00 0.00 O ATOM 598 CB PHE A 44 7.271 1.422 1.870 1.00 0.00 C ATOM 599 CG PHE A 44 5.822 1.378 1.477 1.00 0.00 C ATOM 600 CD1 PHE A 44 5.089 2.547 1.349 1.00 0.00 C ATOM 601 CD2 PHE A 44 5.193 0.167 1.237 1.00 0.00 C ATOM 602 CE1 PHE A 44 3.756 2.509 0.987 1.00 0.00 C ATOM 603 CE2 PHE A 44 3.860 0.123 0.875 1.00 0.00 C ATOM 604 CZ PHE A 44 3.140 1.296 0.751 1.00 0.00 C ATOM 0 H PHE A 44 6.725 2.590 -0.445 1.00 0.00 H new ATOM 0 HA PHE A 44 9.189 1.967 1.067 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.535 0.485 2.361 1.00 0.00 H new ATOM 0 HB3 PHE A 44 7.417 2.217 2.601 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.565 3.499 1.534 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.751 -0.753 1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.196 3.427 0.889 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.381 -0.827 0.689 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.098 1.264 0.470 1.00 0.00 H new ATOM 614 N ALA A 45 8.844 -0.691 0.607 1.00 0.00 N ATOM 615 CA ALA A 45 9.061 -1.991 -0.016 1.00 0.00 C ATOM 616 C ALA A 45 8.336 -3.094 0.748 1.00 0.00 C ATOM 617 O ALA A 45 8.432 -3.179 1.972 1.00 0.00 O ATOM 618 CB ALA A 45 10.549 -2.294 -0.100 1.00 0.00 C ATOM 0 H ALA A 45 9.060 -0.660 1.603 1.00 0.00 H new ATOM 0 HA ALA A 45 8.651 -1.955 -1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.696 -3.268 -0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.043 -1.527 -0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.975 -2.305 0.903 1.00 0.00 H new ATOM 624 N ILE A 46 7.612 -3.935 0.018 1.00 0.00 N ATOM 625 CA ILE A 46 6.871 -5.032 0.627 1.00 0.00 C ATOM 626 C ILE A 46 7.548 -6.371 0.353 1.00 0.00 C ATOM 627 O ILE A 46 7.494 -6.888 -0.763 1.00 0.00 O ATOM 628 CB ILE A 46 5.421 -5.088 0.113 1.00 0.00 C ATOM 629 CG1 ILE A 46 4.732 -3.736 0.316 1.00 0.00 C ATOM 630 CG2 ILE A 46 4.650 -6.193 0.819 1.00 0.00 C ATOM 631 CD1 ILE A 46 3.547 -3.519 -0.597 1.00 0.00 C ATOM 0 H ILE A 46 7.523 -3.878 -0.996 1.00 0.00 H new ATOM 0 HA ILE A 46 6.859 -4.846 1.701 1.00 0.00 H new ATOM 0 HB ILE A 46 5.438 -5.309 -0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.401 -3.658 1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.458 -2.939 0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.627 -6.219 0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.131 -7.152 0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.639 -6.001 1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.108 -2.541 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.875 -3.565 -1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.802 -4.294 -0.417 1.00 0.00 H new ATOM 643 N ASP A 47 8.183 -6.928 1.378 1.00 0.00 N ATOM 644 CA ASP A 47 8.868 -8.209 1.249 1.00 0.00 C ATOM 645 C ASP A 47 8.034 -9.334 1.852 1.00 0.00 C ATOM 646 O ASP A 47 7.700 -9.307 3.036 1.00 0.00 O ATOM 647 CB ASP A 47 10.237 -8.150 1.929 1.00 0.00 C ATOM 648 CG ASP A 47 11.013 -9.444 1.780 1.00 0.00 C ATOM 649 OD1 ASP A 47 10.435 -10.518 2.051 1.00 0.00 O ATOM 650 OD2 ASP A 47 12.198 -9.383 1.393 1.00 0.00 O ATOM 0 H ASP A 47 8.238 -6.512 2.308 1.00 0.00 H new ATOM 0 HA ASP A 47 9.007 -8.414 0.187 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.816 -7.331 1.503 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.104 -7.929 2.988 1.00 0.00 H new ATOM 655 N ALA A 48 7.700 -10.323 1.030 1.00 0.00 N ATOM 656 CA ALA A 48 6.906 -11.459 1.482 1.00 0.00 C ATOM 657 C ALA A 48 7.742 -12.733 1.520 1.00 0.00 C ATOM 658 O ALA A 48 8.388 -13.092 0.535 1.00 0.00 O ATOM 659 CB ALA A 48 5.694 -11.647 0.583 1.00 0.00 C ATOM 0 H ALA A 48 7.967 -10.361 0.046 1.00 0.00 H new ATOM 0 HA ALA A 48 6.564 -11.251 2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.110 -12.499 0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.077 -10.749 0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.024 -11.829 -0.440 1.00 0.00 H new ATOM 665 N ARG A 49 7.726 -13.413 2.662 1.00 0.00 N ATOM 666 CA ARG A 49 8.485 -14.647 2.827 1.00 0.00 C ATOM 667 C ARG A 49 7.613 -15.864 2.535 1.00 0.00 C ATOM 668 O ARG A 49 7.943 -16.687 1.680 1.00 0.00 O ATOM 669 CB ARG A 49 9.048 -14.738 4.247 1.00 0.00 C ATOM 670 CG ARG A 49 9.800 -13.492 4.685 1.00 0.00 C ATOM 671 CD ARG A 49 10.834 -13.073 3.652 1.00 0.00 C ATOM 672 NE ARG A 49 11.683 -14.189 3.244 1.00 0.00 N ATOM 673 CZ ARG A 49 12.888 -14.038 2.705 1.00 0.00 C ATOM 674 NH1 ARG A 49 13.383 -12.823 2.511 1.00 0.00 N ATOM 675 NH2 ARG A 49 13.601 -15.102 2.361 1.00 0.00 N ATOM 0 H ARG A 49 7.196 -13.130 3.486 1.00 0.00 H new ATOM 0 HA ARG A 49 9.311 -14.634 2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.229 -14.921 4.942 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.717 -15.596 4.309 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.094 -12.677 4.846 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.293 -13.680 5.639 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.328 -12.664 2.778 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.455 -12.277 4.063 1.00 0.00 H new ATOM 0 HE ARG A 49 11.331 -15.137 3.380 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.838 -12.002 2.776 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.308 -12.709 2.097 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.224 -16.038 2.510 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.526 -14.984 1.947 1.00 0.00 H new ATOM 689 N ASP A 50 6.499 -15.973 3.251 1.00 0.00 N ATOM 690 CA ASP A 50 5.579 -17.090 3.068 1.00 0.00 C ATOM 691 C ASP A 50 4.185 -16.591 2.701 1.00 0.00 C ATOM 692 O ASP A 50 3.199 -17.315 2.839 1.00 0.00 O ATOM 693 CB ASP A 50 5.512 -17.937 4.340 1.00 0.00 C ATOM 694 CG ASP A 50 5.229 -19.397 4.049 1.00 0.00 C ATOM 695 OD1 ASP A 50 5.664 -19.885 2.985 1.00 0.00 O ATOM 696 OD2 ASP A 50 4.570 -20.052 4.884 1.00 0.00 O ATOM 0 H ASP A 50 6.211 -15.302 3.963 1.00 0.00 H new ATOM 0 HA ASP A 50 5.952 -17.706 2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.456 -17.853 4.879 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.735 -17.543 4.995 1.00 0.00 H new ATOM 701 N ALA A 51 4.110 -15.349 2.234 1.00 0.00 N ATOM 702 CA ALA A 51 2.838 -14.753 1.847 1.00 0.00 C ATOM 703 C ALA A 51 2.343 -15.328 0.524 1.00 0.00 C ATOM 704 O ALA A 51 1.140 -15.385 0.272 1.00 0.00 O ATOM 705 CB ALA A 51 2.970 -13.240 1.751 1.00 0.00 C ATOM 0 H ALA A 51 4.916 -14.736 2.115 1.00 0.00 H new ATOM 0 HA ALA A 51 2.104 -14.994 2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.012 -12.809 1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.270 -12.839 2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.723 -12.987 1.004 1.00 0.00 H new ATOM 711 N GLY A 52 3.280 -15.752 -0.319 1.00 0.00 N ATOM 712 CA GLY A 52 2.919 -16.315 -1.607 1.00 0.00 C ATOM 713 C GLY A 52 2.286 -15.293 -2.530 1.00 0.00 C ATOM 714 O GLY A 52 2.638 -14.115 -2.495 1.00 0.00 O ATOM 0 H GLY A 52 4.282 -15.716 -0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.809 -16.727 -2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.226 -17.143 -1.457 1.00 0.00 H new ATOM 718 N GLU A 53 1.350 -15.746 -3.359 1.00 0.00 N ATOM 719 CA GLU A 53 0.669 -14.862 -4.297 1.00 0.00 C ATOM 720 C GLU A 53 -0.713 -14.477 -3.777 1.00 0.00 C ATOM 721 O GLU A 53 -1.564 -15.335 -3.551 1.00 0.00 O ATOM 722 CB GLU A 53 0.542 -15.534 -5.666 1.00 0.00 C ATOM 723 CG GLU A 53 0.555 -14.556 -6.828 1.00 0.00 C ATOM 724 CD GLU A 53 -0.246 -15.051 -8.017 1.00 0.00 C ATOM 725 OE1 GLU A 53 0.335 -15.744 -8.878 1.00 0.00 O ATOM 726 OE2 GLU A 53 -1.455 -14.746 -8.085 1.00 0.00 O ATOM 0 H GLU A 53 1.047 -16.719 -3.400 1.00 0.00 H new ATOM 0 HA GLU A 53 1.265 -13.955 -4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.360 -16.244 -5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.384 -16.107 -5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.152 -13.599 -6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.585 -14.379 -7.137 1.00 0.00 H new ATOM 733 N GLY A 54 -0.928 -13.178 -3.589 1.00 0.00 N ATOM 734 CA GLY A 54 -2.207 -12.701 -3.096 1.00 0.00 C ATOM 735 C GLY A 54 -2.568 -11.336 -3.648 1.00 0.00 C ATOM 736 O GLY A 54 -1.694 -10.501 -3.880 1.00 0.00 O ATOM 0 H GLY A 54 -0.239 -12.448 -3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.986 -13.415 -3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.179 -12.654 -2.007 1.00 0.00 H new ATOM 740 N LEU A 55 -3.860 -11.109 -3.859 1.00 0.00 N ATOM 741 CA LEU A 55 -4.336 -9.836 -4.389 1.00 0.00 C ATOM 742 C LEU A 55 -3.920 -8.680 -3.484 1.00 0.00 C ATOM 743 O LEU A 55 -4.472 -8.498 -2.398 1.00 0.00 O ATOM 744 CB LEU A 55 -5.858 -9.860 -4.538 1.00 0.00 C ATOM 745 CG LEU A 55 -6.438 -8.977 -5.643 1.00 0.00 C ATOM 746 CD1 LEU A 55 -6.374 -9.690 -6.985 1.00 0.00 C ATOM 747 CD2 LEU A 55 -7.871 -8.583 -5.314 1.00 0.00 C ATOM 0 H LEU A 55 -4.596 -11.790 -3.671 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.884 -9.687 -5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.169 -10.888 -4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.301 -9.558 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.839 -8.069 -5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.791 -9.046 -7.759 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.336 -9.921 -7.225 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.949 -10.615 -6.933 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.268 -7.955 -6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.483 -9.480 -5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.890 -8.031 -4.374 1.00 0.00 H new ATOM 759 N LEU A 56 -2.945 -7.901 -3.939 1.00 0.00 N ATOM 760 CA LEU A 56 -2.456 -6.760 -3.172 1.00 0.00 C ATOM 761 C LEU A 56 -3.276 -5.509 -3.473 1.00 0.00 C ATOM 762 O LEU A 56 -3.580 -5.218 -4.629 1.00 0.00 O ATOM 763 CB LEU A 56 -0.981 -6.504 -3.485 1.00 0.00 C ATOM 764 CG LEU A 56 -0.335 -5.326 -2.755 1.00 0.00 C ATOM 765 CD1 LEU A 56 0.125 -5.746 -1.367 1.00 0.00 C ATOM 766 CD2 LEU A 56 0.832 -4.775 -3.561 1.00 0.00 C ATOM 0 H LEU A 56 -2.477 -8.038 -4.835 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.561 -6.995 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.418 -7.406 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.881 -6.340 -4.558 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.080 -4.538 -2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.582 -4.895 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.732 -6.093 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.854 -6.551 -1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.280 -3.937 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.579 -5.557 -3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.475 -4.436 -4.533 1.00 0.00 H new ATOM 778 N ALA A 57 -3.629 -4.773 -2.424 1.00 0.00 N ATOM 779 CA ALA A 57 -4.410 -3.552 -2.577 1.00 0.00 C ATOM 780 C ALA A 57 -3.834 -2.422 -1.730 1.00 0.00 C ATOM 781 O ALA A 57 -3.355 -2.648 -0.619 1.00 0.00 O ATOM 782 CB ALA A 57 -5.864 -3.804 -2.205 1.00 0.00 C ATOM 0 H ALA A 57 -3.387 -5.001 -1.460 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.362 -3.249 -3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.435 -2.883 -2.324 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.278 -4.574 -2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.922 -4.135 -1.168 1.00 0.00 H new ATOM 788 N VAL A 58 -3.882 -1.205 -2.262 1.00 0.00 N ATOM 789 CA VAL A 58 -3.365 -0.040 -1.555 1.00 0.00 C ATOM 790 C VAL A 58 -4.491 0.911 -1.165 1.00 0.00 C ATOM 791 O VAL A 58 -5.156 1.486 -2.025 1.00 0.00 O ATOM 792 CB VAL A 58 -2.336 0.724 -2.409 1.00 0.00 C ATOM 793 CG1 VAL A 58 -1.857 1.970 -1.680 1.00 0.00 C ATOM 794 CG2 VAL A 58 -1.165 -0.178 -2.765 1.00 0.00 C ATOM 0 H VAL A 58 -4.274 -1.000 -3.181 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.876 -0.409 -0.653 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.819 1.037 -3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.131 2.497 -2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.706 2.624 -1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.391 1.683 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.448 0.378 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.680 -0.523 -1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.526 -1.037 -3.331 1.00 0.00 H new ATOM 804 N GLN A 59 -4.699 1.070 0.138 1.00 0.00 N ATOM 805 CA GLN A 59 -5.746 1.951 0.642 1.00 0.00 C ATOM 806 C GLN A 59 -5.153 3.072 1.490 1.00 0.00 C ATOM 807 O GLN A 59 -4.709 2.843 2.616 1.00 0.00 O ATOM 808 CB GLN A 59 -6.760 1.155 1.466 1.00 0.00 C ATOM 809 CG GLN A 59 -7.641 0.242 0.628 1.00 0.00 C ATOM 810 CD GLN A 59 -8.980 -0.037 1.282 1.00 0.00 C ATOM 811 OE1 GLN A 59 -9.099 -0.928 2.124 1.00 0.00 O ATOM 812 NE2 GLN A 59 -9.997 0.724 0.897 1.00 0.00 N ATOM 0 H GLN A 59 -4.157 0.601 0.863 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.253 2.396 -0.214 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.226 0.555 2.203 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.392 1.850 2.018 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.806 0.698 -0.348 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.121 -0.701 0.456 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.853 1.451 0.196 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.922 0.582 1.302 1.00 0.00 H new ATOM 821 N ILE A 60 -5.148 4.282 0.942 1.00 0.00 N ATOM 822 CA ILE A 60 -4.609 5.438 1.649 1.00 0.00 C ATOM 823 C ILE A 60 -5.689 6.489 1.886 1.00 0.00 C ATOM 824 O ILE A 60 -6.403 6.881 0.962 1.00 0.00 O ATOM 825 CB ILE A 60 -3.445 6.080 0.873 1.00 0.00 C ATOM 826 CG1 ILE A 60 -2.318 5.065 0.668 1.00 0.00 C ATOM 827 CG2 ILE A 60 -2.931 7.308 1.609 1.00 0.00 C ATOM 828 CD1 ILE A 60 -1.420 5.387 -0.506 1.00 0.00 C ATOM 0 H ILE A 60 -5.511 4.488 0.011 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.239 5.077 2.609 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.809 6.393 -0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.714 5.017 1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.753 4.076 0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.108 7.751 1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.736 8.036 1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.580 7.018 2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.645 4.626 -0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.011 5.406 -1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.956 6.362 -0.353 1.00 0.00 H new ATOM 840 N THR A 61 -5.801 6.945 3.130 1.00 0.00 N ATOM 841 CA THR A 61 -6.792 7.951 3.488 1.00 0.00 C ATOM 842 C THR A 61 -6.187 9.020 4.392 1.00 0.00 C ATOM 843 O THR A 61 -5.212 8.768 5.100 1.00 0.00 O ATOM 844 CB THR A 61 -8.003 7.319 4.199 1.00 0.00 C ATOM 845 OG1 THR A 61 -7.581 6.196 4.982 1.00 0.00 O ATOM 846 CG2 THR A 61 -9.051 6.874 3.190 1.00 0.00 C ATOM 0 H THR A 61 -5.217 6.633 3.906 1.00 0.00 H new ATOM 0 HA THR A 61 -7.126 8.411 2.558 1.00 0.00 H new ATOM 0 HB THR A 61 -8.446 8.071 4.852 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.357 5.801 5.432 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.897 6.431 3.715 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.392 7.735 2.615 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.616 6.137 2.515 1.00 0.00 H new ATOM 854 N ASP A 62 -6.773 10.212 4.365 1.00 0.00 N ATOM 855 CA ASP A 62 -6.293 11.319 5.184 1.00 0.00 C ATOM 856 C ASP A 62 -6.870 11.241 6.594 1.00 0.00 C ATOM 857 O ASP A 62 -7.604 10.310 6.924 1.00 0.00 O ATOM 858 CB ASP A 62 -6.665 12.655 4.541 1.00 0.00 C ATOM 859 CG ASP A 62 -5.780 13.792 5.014 1.00 0.00 C ATOM 860 OD1 ASP A 62 -4.564 13.565 5.184 1.00 0.00 O ATOM 861 OD2 ASP A 62 -6.303 14.908 5.215 1.00 0.00 O ATOM 0 H ASP A 62 -7.581 10.436 3.785 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.207 11.246 5.250 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.590 12.567 3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.705 12.888 4.770 1.00 0.00 H new ATOM 866 N GLN A 63 -6.531 12.224 7.421 1.00 0.00 N ATOM 867 CA GLN A 63 -7.014 12.265 8.797 1.00 0.00 C ATOM 868 C GLN A 63 -8.537 12.198 8.841 1.00 0.00 C ATOM 869 O GLN A 63 -9.112 11.541 9.708 1.00 0.00 O ATOM 870 CB GLN A 63 -6.527 13.538 9.492 1.00 0.00 C ATOM 871 CG GLN A 63 -7.052 14.816 8.859 1.00 0.00 C ATOM 872 CD GLN A 63 -6.156 16.010 9.124 1.00 0.00 C ATOM 873 OE1 GLN A 63 -6.139 16.555 10.228 1.00 0.00 O ATOM 874 NE2 GLN A 63 -5.403 16.423 8.111 1.00 0.00 N ATOM 0 H GLN A 63 -5.924 13.002 7.163 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.615 11.397 9.322 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.831 13.509 10.538 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.437 13.556 9.477 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.148 14.671 7.783 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.051 15.024 9.243 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.448 15.942 7.213 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.779 17.221 8.231 1.00 0.00 H new ATOM 883 N GLU A 64 -9.182 12.881 7.902 1.00 0.00 N ATOM 884 CA GLU A 64 -10.639 12.899 7.835 1.00 0.00 C ATOM 885 C GLU A 64 -11.162 11.709 7.035 1.00 0.00 C ATOM 886 O GLU A 64 -12.306 11.290 7.202 1.00 0.00 O ATOM 887 CB GLU A 64 -11.127 14.205 7.206 1.00 0.00 C ATOM 888 CG GLU A 64 -12.633 14.262 7.013 1.00 0.00 C ATOM 889 CD GLU A 64 -13.126 15.657 6.679 1.00 0.00 C ATOM 890 OE1 GLU A 64 -12.816 16.146 5.573 1.00 0.00 O ATOM 891 OE2 GLU A 64 -13.822 16.258 7.523 1.00 0.00 O ATOM 0 H GLU A 64 -8.719 13.429 7.177 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.025 12.828 8.852 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.818 15.039 7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.640 14.337 6.240 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.919 13.578 6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.125 13.914 7.921 1.00 0.00 H new ATOM 898 N GLY A 65 -10.313 11.170 6.165 1.00 0.00 N ATOM 899 CA GLY A 65 -10.707 10.035 5.351 1.00 0.00 C ATOM 900 C GLY A 65 -10.894 10.405 3.892 1.00 0.00 C ATOM 901 O GLY A 65 -11.874 10.005 3.263 1.00 0.00 O ATOM 0 H GLY A 65 -9.360 11.499 6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.950 9.255 5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.637 9.619 5.739 1.00 0.00 H new ATOM 905 N LYS A 66 -9.952 11.171 3.353 1.00 0.00 N ATOM 906 CA LYS A 66 -10.016 11.596 1.959 1.00 0.00 C ATOM 907 C LYS A 66 -9.153 10.700 1.077 1.00 0.00 C ATOM 908 O LYS A 66 -8.147 10.141 1.515 1.00 0.00 O ATOM 909 CB LYS A 66 -9.561 13.051 1.827 1.00 0.00 C ATOM 910 CG LYS A 66 -10.444 14.035 2.574 1.00 0.00 C ATOM 911 CD LYS A 66 -10.307 15.442 2.017 1.00 0.00 C ATOM 912 CE LYS A 66 -11.232 15.664 0.830 1.00 0.00 C ATOM 913 NZ LYS A 66 -11.318 17.103 0.455 1.00 0.00 N ATOM 0 H LYS A 66 -9.135 11.511 3.860 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.051 11.514 1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.540 13.138 2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.541 13.322 0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.484 13.716 2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.178 14.034 3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.535 16.167 2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.275 15.615 1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.873 15.087 -0.023 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.228 15.291 1.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.958 17.212 -0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.684 17.650 1.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.372 17.453 0.200 1.00 0.00 H new ATOM 927 N PRO A 67 -9.552 10.559 -0.196 1.00 0.00 N ATOM 928 CA PRO A 67 -8.827 9.734 -1.166 1.00 0.00 C ATOM 929 C PRO A 67 -7.482 10.339 -1.552 1.00 0.00 C ATOM 930 O PRO A 67 -7.378 11.540 -1.801 1.00 0.00 O ATOM 931 CB PRO A 67 -9.766 9.701 -2.375 1.00 0.00 C ATOM 932 CG PRO A 67 -10.576 10.946 -2.259 1.00 0.00 C ATOM 933 CD PRO A 67 -10.742 11.196 -0.786 1.00 0.00 C ATOM 0 HA PRO A 67 -8.590 8.748 -0.766 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.207 9.678 -3.310 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.399 8.814 -2.361 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.075 11.784 -2.743 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.544 10.829 -2.746 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.780 12.262 -0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.664 10.756 -0.405 1.00 0.00 H new ATOM 941 N LYS A 68 -6.453 9.500 -1.600 1.00 0.00 N ATOM 942 CA LYS A 68 -5.113 9.951 -1.957 1.00 0.00 C ATOM 943 C LYS A 68 -4.569 9.157 -3.141 1.00 0.00 C ATOM 944 O LYS A 68 -4.601 7.926 -3.141 1.00 0.00 O ATOM 945 CB LYS A 68 -4.170 9.813 -0.760 1.00 0.00 C ATOM 946 CG LYS A 68 -4.582 10.650 0.439 1.00 0.00 C ATOM 947 CD LYS A 68 -4.764 12.111 0.063 1.00 0.00 C ATOM 948 CE LYS A 68 -3.501 12.689 -0.555 1.00 0.00 C ATOM 949 NZ LYS A 68 -3.491 12.542 -2.037 1.00 0.00 N ATOM 0 H LYS A 68 -6.521 8.503 -1.396 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.175 11.001 -2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.125 8.765 -0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.164 10.101 -1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.512 10.261 0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.826 10.566 1.220 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.591 12.206 -0.641 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.032 12.685 0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.419 13.744 -0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.629 12.188 -0.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.869 13.264 -2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.141 11.596 -2.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.456 12.663 -2.404 1.00 0.00 H new ATOM 963 N ARG A 69 -4.070 9.869 -4.146 1.00 0.00 N ATOM 964 CA ARG A 69 -3.519 9.230 -5.335 1.00 0.00 C ATOM 965 C ARG A 69 -2.322 8.355 -4.976 1.00 0.00 C ATOM 966 O ARG A 69 -1.302 8.848 -4.495 1.00 0.00 O ATOM 967 CB ARG A 69 -3.104 10.286 -6.361 1.00 0.00 C ATOM 968 CG ARG A 69 -2.876 9.725 -7.755 1.00 0.00 C ATOM 969 CD ARG A 69 -2.733 10.833 -8.785 1.00 0.00 C ATOM 970 NE ARG A 69 -3.960 11.613 -8.924 1.00 0.00 N ATOM 971 CZ ARG A 69 -3.997 12.844 -9.422 1.00 0.00 C ATOM 972 NH1 ARG A 69 -2.880 13.432 -9.827 1.00 0.00 N ATOM 973 NH2 ARG A 69 -5.153 13.489 -9.516 1.00 0.00 N ATOM 0 H ARG A 69 -4.036 10.888 -4.161 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.293 8.597 -5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.875 11.055 -6.410 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.190 10.772 -6.020 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.978 9.107 -7.757 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.709 9.078 -8.029 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.915 11.493 -8.496 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.468 10.399 -9.749 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.837 11.189 -8.622 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.990 12.939 -9.757 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.911 14.377 -10.209 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.014 13.040 -9.206 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.180 14.434 -9.899 1.00 0.00 H new ATOM 987 N ALA A 70 -2.454 7.054 -5.214 1.00 0.00 N ATOM 988 CA ALA A 70 -1.383 6.111 -4.917 1.00 0.00 C ATOM 989 C ALA A 70 -0.914 5.398 -6.181 1.00 0.00 C ATOM 990 O ALA A 70 -1.728 4.924 -6.975 1.00 0.00 O ATOM 991 CB ALA A 70 -1.843 5.100 -3.878 1.00 0.00 C ATOM 0 H ALA A 70 -3.292 6.629 -5.612 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.540 6.672 -4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.033 4.402 -3.666 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.122 5.621 -2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.704 4.551 -4.260 1.00 0.00 H new ATOM 997 N ILE A 71 0.400 5.325 -6.361 1.00 0.00 N ATOM 998 CA ILE A 71 0.976 4.669 -7.529 1.00 0.00 C ATOM 999 C ILE A 71 1.295 3.207 -7.236 1.00 0.00 C ATOM 1000 O ILE A 71 1.658 2.852 -6.114 1.00 0.00 O ATOM 1001 CB ILE A 71 2.259 5.379 -7.998 1.00 0.00 C ATOM 1002 CG1 ILE A 71 1.972 6.852 -8.301 1.00 0.00 C ATOM 1003 CG2 ILE A 71 2.832 4.683 -9.223 1.00 0.00 C ATOM 1004 CD1 ILE A 71 3.216 7.709 -8.368 1.00 0.00 C ATOM 0 H ILE A 71 1.086 5.712 -5.713 1.00 0.00 H new ATOM 0 HA ILE A 71 0.230 4.724 -8.322 1.00 0.00 H new ATOM 0 HB ILE A 71 2.997 5.329 -7.197 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.441 6.922 -9.250 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.308 7.250 -7.534 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.739 5.197 -9.543 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.069 3.648 -8.976 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.099 4.705 -10.030 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.936 8.740 -8.586 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.737 7.669 -7.412 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.872 7.337 -9.155 1.00 0.00 H new ATOM 1016 N VAL A 72 1.159 2.362 -8.253 1.00 0.00 N ATOM 1017 CA VAL A 72 1.436 0.938 -8.106 1.00 0.00 C ATOM 1018 C VAL A 72 2.648 0.526 -8.934 1.00 0.00 C ATOM 1019 O VAL A 72 2.645 0.643 -10.160 1.00 0.00 O ATOM 1020 CB VAL A 72 0.225 0.085 -8.528 1.00 0.00 C ATOM 1021 CG1 VAL A 72 0.545 -1.397 -8.397 1.00 0.00 C ATOM 1022 CG2 VAL A 72 -0.998 0.450 -7.701 1.00 0.00 C ATOM 0 H VAL A 72 0.859 2.639 -9.188 1.00 0.00 H new ATOM 0 HA VAL A 72 1.644 0.763 -7.051 1.00 0.00 H new ATOM 0 HB VAL A 72 0.002 0.293 -9.574 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.322 -1.985 -8.699 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.392 -1.644 -9.037 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.794 -1.625 -7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.844 -0.162 -8.013 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.790 0.272 -6.646 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.238 1.503 -7.851 1.00 0.00 H new ATOM 1032 N HIS A 73 3.684 0.042 -8.257 1.00 0.00 N ATOM 1033 CA HIS A 73 4.904 -0.390 -8.930 1.00 0.00 C ATOM 1034 C HIS A 73 5.010 -1.912 -8.938 1.00 0.00 C ATOM 1035 O HIS A 73 4.958 -2.553 -7.889 1.00 0.00 O ATOM 1036 CB HIS A 73 6.130 0.215 -8.246 1.00 0.00 C ATOM 1037 CG HIS A 73 6.519 1.556 -8.789 1.00 0.00 C ATOM 1038 ND1 HIS A 73 5.638 2.613 -8.885 1.00 0.00 N ATOM 1039 CD2 HIS A 73 7.702 2.009 -9.265 1.00 0.00 C ATOM 1040 CE1 HIS A 73 6.262 3.658 -9.398 1.00 0.00 C ATOM 1041 NE2 HIS A 73 7.516 3.318 -9.638 1.00 0.00 N ATOM 0 H HIS A 73 3.703 -0.061 -7.242 1.00 0.00 H new ATOM 0 HA HIS A 73 4.864 -0.041 -9.962 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.931 0.308 -7.178 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.971 -0.470 -8.355 1.00 0.00 H new ATOM 0 HD2 HIS A 73 8.621 1.446 -9.338 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.822 4.626 -9.589 1.00 0.00 H new ATOM 0 HE2 HIS A 73 8.230 3.928 -10.036 1.00 0.00 H new ATOM 1049 N ASP A 74 5.159 -2.483 -10.129 1.00 0.00 N ATOM 1050 CA ASP A 74 5.272 -3.929 -10.274 1.00 0.00 C ATOM 1051 C ASP A 74 6.720 -4.337 -10.532 1.00 0.00 C ATOM 1052 O ASP A 74 7.329 -3.911 -11.512 1.00 0.00 O ATOM 1053 CB ASP A 74 4.380 -4.421 -11.414 1.00 0.00 C ATOM 1054 CG ASP A 74 4.920 -4.039 -12.778 1.00 0.00 C ATOM 1055 OD1 ASP A 74 5.249 -2.850 -12.975 1.00 0.00 O ATOM 1056 OD2 ASP A 74 5.015 -4.929 -13.649 1.00 0.00 O ATOM 0 H ASP A 74 5.204 -1.966 -11.007 1.00 0.00 H new ATOM 0 HA ASP A 74 4.943 -4.389 -9.342 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.285 -5.505 -11.355 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.379 -4.006 -11.293 1.00 0.00 H new ATOM 1061 N ASN A 75 7.263 -5.165 -9.646 1.00 0.00 N ATOM 1062 CA ASN A 75 8.639 -5.629 -9.777 1.00 0.00 C ATOM 1063 C ASN A 75 8.683 -7.066 -10.289 1.00 0.00 C ATOM 1064 O ASN A 75 9.585 -7.444 -11.036 1.00 0.00 O ATOM 1065 CB ASN A 75 9.363 -5.533 -8.432 1.00 0.00 C ATOM 1066 CG ASN A 75 9.192 -4.174 -7.780 1.00 0.00 C ATOM 1067 OD1 ASN A 75 9.528 -3.145 -8.367 1.00 0.00 O ATOM 1068 ND2 ASN A 75 8.669 -4.165 -6.560 1.00 0.00 N ATOM 0 H ASN A 75 6.771 -5.528 -8.830 1.00 0.00 H new ATOM 0 HA ASN A 75 9.144 -4.989 -10.500 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.984 -6.305 -7.762 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.425 -5.732 -8.579 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.531 -3.281 -6.071 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.405 -5.042 -6.112 1.00 0.00 H new ATOM 1075 N LYS A 76 7.700 -7.863 -9.882 1.00 0.00 N ATOM 1076 CA LYS A 76 7.623 -9.257 -10.299 1.00 0.00 C ATOM 1077 C LYS A 76 8.872 -10.023 -9.872 1.00 0.00 C ATOM 1078 O LYS A 76 9.289 -10.969 -10.540 1.00 0.00 O ATOM 1079 CB LYS A 76 7.450 -9.348 -11.817 1.00 0.00 C ATOM 1080 CG LYS A 76 6.199 -8.656 -12.329 1.00 0.00 C ATOM 1081 CD LYS A 76 4.948 -9.458 -12.011 1.00 0.00 C ATOM 1082 CE LYS A 76 3.781 -9.045 -12.894 1.00 0.00 C ATOM 1083 NZ LYS A 76 3.077 -7.847 -12.359 1.00 0.00 N ATOM 0 H LYS A 76 6.945 -7.566 -9.263 1.00 0.00 H new ATOM 0 HA LYS A 76 6.758 -9.708 -9.813 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.322 -8.908 -12.301 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.419 -10.398 -12.109 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.121 -7.665 -11.881 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.276 -8.513 -13.407 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.151 -10.520 -12.148 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.681 -9.317 -10.964 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.144 -8.834 -13.900 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.077 -9.873 -12.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.061 -7.918 -12.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.213 -7.796 -11.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.464 -6.990 -12.802 1.00 0.00 H new ATOM 1097 N ASP A 77 9.462 -9.608 -8.757 1.00 0.00 N ATOM 1098 CA ASP A 77 10.662 -10.257 -8.240 1.00 0.00 C ATOM 1099 C ASP A 77 10.459 -10.701 -6.795 1.00 0.00 C ATOM 1100 O ASP A 77 11.408 -10.762 -6.015 1.00 0.00 O ATOM 1101 CB ASP A 77 11.859 -9.310 -8.332 1.00 0.00 C ATOM 1102 CG ASP A 77 12.352 -9.136 -9.756 1.00 0.00 C ATOM 1103 OD1 ASP A 77 12.204 -10.085 -10.555 1.00 0.00 O ATOM 1104 OD2 ASP A 77 12.884 -8.052 -10.071 1.00 0.00 O ATOM 0 H ASP A 77 9.130 -8.825 -8.193 1.00 0.00 H new ATOM 0 HA ASP A 77 10.859 -11.140 -8.848 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.581 -8.338 -7.925 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.671 -9.694 -7.714 1.00 0.00 H new ATOM 1109 N GLY A 78 9.214 -11.010 -6.445 1.00 0.00 N ATOM 1110 CA GLY A 78 8.909 -11.444 -5.094 1.00 0.00 C ATOM 1111 C GLY A 78 8.749 -10.282 -4.134 1.00 0.00 C ATOM 1112 O GLY A 78 8.904 -10.440 -2.923 1.00 0.00 O ATOM 0 H GLY A 78 8.411 -10.968 -7.073 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.992 -12.033 -5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.704 -12.099 -4.738 1.00 0.00 H new ATOM 1116 N THR A 79 8.438 -9.108 -4.676 1.00 0.00 N ATOM 1117 CA THR A 79 8.259 -7.914 -3.860 1.00 0.00 C ATOM 1118 C THR A 79 7.276 -6.946 -4.509 1.00 0.00 C ATOM 1119 O THR A 79 6.769 -7.201 -5.602 1.00 0.00 O ATOM 1120 CB THR A 79 9.598 -7.188 -3.626 1.00 0.00 C ATOM 1121 OG1 THR A 79 10.256 -6.959 -4.876 1.00 0.00 O ATOM 1122 CG2 THR A 79 10.502 -8.001 -2.712 1.00 0.00 C ATOM 0 H THR A 79 8.305 -8.959 -5.676 1.00 0.00 H new ATOM 0 HA THR A 79 7.860 -8.244 -2.901 1.00 0.00 H new ATOM 0 HB THR A 79 9.389 -6.232 -3.146 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.105 -6.496 -4.719 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.441 -7.468 -2.562 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.010 -8.148 -1.751 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.704 -8.970 -3.168 1.00 0.00 H new ATOM 1130 N TYR A 80 7.011 -5.836 -3.831 1.00 0.00 N ATOM 1131 CA TYR A 80 6.087 -4.830 -4.342 1.00 0.00 C ATOM 1132 C TYR A 80 6.443 -3.444 -3.813 1.00 0.00 C ATOM 1133 O TYR A 80 6.801 -3.285 -2.646 1.00 0.00 O ATOM 1134 CB TYR A 80 4.650 -5.183 -3.952 1.00 0.00 C ATOM 1135 CG TYR A 80 4.218 -6.556 -4.414 1.00 0.00 C ATOM 1136 CD1 TYR A 80 3.753 -6.760 -5.708 1.00 0.00 C ATOM 1137 CD2 TYR A 80 4.272 -7.649 -3.558 1.00 0.00 C ATOM 1138 CE1 TYR A 80 3.355 -8.013 -6.135 1.00 0.00 C ATOM 1139 CE2 TYR A 80 3.879 -8.905 -3.977 1.00 0.00 C ATOM 1140 CZ TYR A 80 3.421 -9.082 -5.266 1.00 0.00 C ATOM 1141 OH TYR A 80 3.026 -10.331 -5.686 1.00 0.00 O ATOM 0 H TYR A 80 7.423 -5.609 -2.926 1.00 0.00 H new ATOM 0 HA TYR A 80 6.169 -4.816 -5.429 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.552 -5.126 -2.868 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.975 -4.438 -4.373 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.702 -5.925 -6.391 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.628 -7.514 -2.547 1.00 0.00 H new ATOM 0 HE1 TYR A 80 2.994 -8.154 -7.143 1.00 0.00 H new ATOM 0 HE2 TYR A 80 3.930 -9.744 -3.299 1.00 0.00 H new ATOM 0 HH TYR A 80 3.136 -10.973 -4.953 1.00 0.00 H new ATOM 1151 N ALA A 81 6.341 -2.443 -4.681 1.00 0.00 N ATOM 1152 CA ALA A 81 6.649 -1.069 -4.303 1.00 0.00 C ATOM 1153 C ALA A 81 5.434 -0.165 -4.481 1.00 0.00 C ATOM 1154 O ALA A 81 4.654 -0.335 -5.418 1.00 0.00 O ATOM 1155 CB ALA A 81 7.822 -0.548 -5.119 1.00 0.00 C ATOM 0 H ALA A 81 6.047 -2.558 -5.651 1.00 0.00 H new ATOM 0 HA ALA A 81 6.923 -1.061 -3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.041 0.479 -4.826 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.697 -1.172 -4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.569 -0.577 -6.179 1.00 0.00 H new ATOM 1161 N VAL A 82 5.280 0.796 -3.576 1.00 0.00 N ATOM 1162 CA VAL A 82 4.160 1.728 -3.634 1.00 0.00 C ATOM 1163 C VAL A 82 4.611 3.149 -3.317 1.00 0.00 C ATOM 1164 O VAL A 82 5.274 3.393 -2.308 1.00 0.00 O ATOM 1165 CB VAL A 82 3.044 1.324 -2.652 1.00 0.00 C ATOM 1166 CG1 VAL A 82 1.872 2.290 -2.750 1.00 0.00 C ATOM 1167 CG2 VAL A 82 2.592 -0.104 -2.918 1.00 0.00 C ATOM 0 H VAL A 82 5.917 0.950 -2.794 1.00 0.00 H new ATOM 0 HA VAL A 82 3.770 1.692 -4.651 1.00 0.00 H new ATOM 0 HB VAL A 82 3.440 1.372 -1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.093 1.989 -2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.210 3.297 -2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.473 2.276 -3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.803 -0.373 -2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.212 -0.182 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.436 -0.782 -2.793 1.00 0.00 H new ATOM 1177 N THR A 83 4.247 4.087 -4.186 1.00 0.00 N ATOM 1178 CA THR A 83 4.614 5.485 -4.000 1.00 0.00 C ATOM 1179 C THR A 83 3.398 6.330 -3.637 1.00 0.00 C ATOM 1180 O THR A 83 2.300 6.106 -4.147 1.00 0.00 O ATOM 1181 CB THR A 83 5.269 6.068 -5.267 1.00 0.00 C ATOM 1182 OG1 THR A 83 6.441 5.316 -5.603 1.00 0.00 O ATOM 1183 CG2 THR A 83 5.639 7.529 -5.062 1.00 0.00 C ATOM 0 H THR A 83 3.698 3.903 -5.026 1.00 0.00 H new ATOM 0 HA THR A 83 5.332 5.516 -3.181 1.00 0.00 H new ATOM 0 HB THR A 83 4.550 6.003 -6.084 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.850 5.692 -6.410 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.100 7.918 -5.970 1.00 0.00 H new ATOM 0 HG22 THR A 83 4.741 8.104 -4.836 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.342 7.613 -4.233 1.00 0.00 H new ATOM 1191 N TYR A 84 3.600 7.300 -2.753 1.00 0.00 N ATOM 1192 CA TYR A 84 2.519 8.177 -2.319 1.00 0.00 C ATOM 1193 C TYR A 84 3.049 9.565 -1.973 1.00 0.00 C ATOM 1194 O TYR A 84 4.096 9.701 -1.339 1.00 0.00 O ATOM 1195 CB TYR A 84 1.801 7.576 -1.110 1.00 0.00 C ATOM 1196 CG TYR A 84 2.485 7.866 0.207 1.00 0.00 C ATOM 1197 CD1 TYR A 84 2.292 9.077 0.860 1.00 0.00 C ATOM 1198 CD2 TYR A 84 3.326 6.930 0.796 1.00 0.00 C ATOM 1199 CE1 TYR A 84 2.916 9.347 2.063 1.00 0.00 C ATOM 1200 CE2 TYR A 84 3.953 7.191 1.999 1.00 0.00 C ATOM 1201 CZ TYR A 84 3.745 8.401 2.629 1.00 0.00 C ATOM 1202 OH TYR A 84 4.369 8.664 3.826 1.00 0.00 O ATOM 0 H TYR A 84 4.503 7.499 -2.322 1.00 0.00 H new ATOM 0 HA TYR A 84 1.811 8.274 -3.142 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.783 7.963 -1.074 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.727 6.496 -1.242 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.643 9.820 0.420 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.492 5.982 0.305 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.755 10.294 2.557 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.603 6.452 2.444 1.00 0.00 H new ATOM 0 HH TYR A 84 4.475 7.830 4.330 1.00 0.00 H new ATOM 1212 N ILE A 85 2.318 10.592 -2.393 1.00 0.00 N ATOM 1213 CA ILE A 85 2.712 11.970 -2.126 1.00 0.00 C ATOM 1214 C ILE A 85 1.714 12.658 -1.201 1.00 0.00 C ATOM 1215 O ILE A 85 0.628 13.066 -1.613 1.00 0.00 O ATOM 1216 CB ILE A 85 2.834 12.783 -3.428 1.00 0.00 C ATOM 1217 CG1 ILE A 85 3.908 12.178 -4.334 1.00 0.00 C ATOM 1218 CG2 ILE A 85 3.154 14.237 -3.116 1.00 0.00 C ATOM 1219 CD1 ILE A 85 3.717 12.505 -5.799 1.00 0.00 C ATOM 0 H ILE A 85 1.450 10.496 -2.920 1.00 0.00 H new ATOM 0 HA ILE A 85 3.687 11.931 -1.640 1.00 0.00 H new ATOM 0 HB ILE A 85 1.880 12.746 -3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.886 12.537 -4.014 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.910 11.095 -4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.237 14.799 -4.046 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.357 14.662 -2.505 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.097 14.293 -2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.514 12.044 -6.382 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.754 12.121 -6.135 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.745 13.586 -5.937 1.00 0.00 H new ATOM 1231 N PRO A 86 2.089 12.792 0.080 1.00 0.00 N ATOM 1232 CA PRO A 86 1.242 13.433 1.090 1.00 0.00 C ATOM 1233 C PRO A 86 1.113 14.936 0.868 1.00 0.00 C ATOM 1234 O PRO A 86 1.906 15.721 1.388 1.00 0.00 O ATOM 1235 CB PRO A 86 1.976 13.147 2.402 1.00 0.00 C ATOM 1236 CG PRO A 86 3.400 12.958 2.006 1.00 0.00 C ATOM 1237 CD PRO A 86 3.369 12.328 0.640 1.00 0.00 C ATOM 0 HA PRO A 86 0.221 13.053 1.066 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.867 13.973 3.105 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.580 12.257 2.892 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.929 13.911 1.985 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.922 12.319 2.719 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.214 12.648 0.030 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.412 11.240 0.698 1.00 0.00 H new ATOM 1245 N ASP A 87 0.108 15.331 0.094 1.00 0.00 N ATOM 1246 CA ASP A 87 -0.126 16.741 -0.195 1.00 0.00 C ATOM 1247 C ASP A 87 -0.402 17.520 1.087 1.00 0.00 C ATOM 1248 O ASP A 87 0.261 18.517 1.375 1.00 0.00 O ATOM 1249 CB ASP A 87 -1.300 16.897 -1.164 1.00 0.00 C ATOM 1250 CG ASP A 87 -0.883 16.722 -2.611 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -0.001 15.879 -2.876 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -1.439 17.428 -3.478 1.00 0.00 O ATOM 0 H ASP A 87 -0.558 14.695 -0.345 1.00 0.00 H new ATOM 0 HA ASP A 87 0.774 17.146 -0.658 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.069 16.164 -0.919 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.746 17.883 -1.034 1.00 0.00 H new ATOM 1257 N LYS A 88 -1.385 17.060 1.853 1.00 0.00 N ATOM 1258 CA LYS A 88 -1.750 17.712 3.105 1.00 0.00 C ATOM 1259 C LYS A 88 -1.051 17.049 4.288 1.00 0.00 C ATOM 1260 O LYS A 88 -0.944 15.824 4.353 1.00 0.00 O ATOM 1261 CB LYS A 88 -3.266 17.667 3.305 1.00 0.00 C ATOM 1262 CG LYS A 88 -3.842 16.262 3.279 1.00 0.00 C ATOM 1263 CD LYS A 88 -4.300 15.872 1.883 1.00 0.00 C ATOM 1264 CE LYS A 88 -5.768 16.206 1.666 1.00 0.00 C ATOM 1265 NZ LYS A 88 -5.949 17.572 1.102 1.00 0.00 N ATOM 0 H LYS A 88 -1.944 16.237 1.628 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.428 18.752 3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.512 18.134 4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.744 18.261 2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.091 15.553 3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -4.683 16.200 3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.694 16.392 1.141 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.142 14.804 1.732 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -6.211 15.473 0.992 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.301 16.131 2.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.911 17.665 0.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.805 18.279 1.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.257 17.728 0.341 1.00 0.00 H new ATOM 1279 N THR A 89 -0.576 17.866 5.223 1.00 0.00 N ATOM 1280 CA THR A 89 0.112 17.359 6.403 1.00 0.00 C ATOM 1281 C THR A 89 -0.874 16.761 7.400 1.00 0.00 C ATOM 1282 O THR A 89 -2.087 16.891 7.242 1.00 0.00 O ATOM 1283 CB THR A 89 0.921 18.469 7.102 1.00 0.00 C ATOM 1284 OG1 THR A 89 0.075 19.589 7.383 1.00 0.00 O ATOM 1285 CG2 THR A 89 2.089 18.914 6.235 1.00 0.00 C ATOM 0 H THR A 89 -0.655 18.882 5.185 1.00 0.00 H new ATOM 0 HA THR A 89 0.795 16.582 6.061 1.00 0.00 H new ATOM 0 HB THR A 89 1.314 18.068 8.036 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.596 20.289 7.829 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.646 19.698 6.749 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.747 18.065 6.047 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.713 19.298 5.287 1.00 0.00 H new ATOM 1293 N GLY A 90 -0.344 16.104 8.427 1.00 0.00 N ATOM 1294 CA GLY A 90 -1.192 15.495 9.435 1.00 0.00 C ATOM 1295 C GLY A 90 -0.906 14.018 9.619 1.00 0.00 C ATOM 1296 O GLY A 90 0.250 13.596 9.601 1.00 0.00 O ATOM 0 H GLY A 90 0.657 15.983 8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.049 16.010 10.385 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.237 15.627 9.154 1.00 0.00 H new ATOM 1300 N ARG A 91 -1.962 13.230 9.797 1.00 0.00 N ATOM 1301 CA ARG A 91 -1.818 11.792 9.988 1.00 0.00 C ATOM 1302 C ARG A 91 -2.431 11.025 8.820 1.00 0.00 C ATOM 1303 O ARG A 91 -3.432 11.450 8.241 1.00 0.00 O ATOM 1304 CB ARG A 91 -2.480 11.361 11.298 1.00 0.00 C ATOM 1305 CG ARG A 91 -3.951 11.733 11.389 1.00 0.00 C ATOM 1306 CD ARG A 91 -4.396 11.894 12.834 1.00 0.00 C ATOM 1307 NE ARG A 91 -4.436 10.615 13.539 1.00 0.00 N ATOM 1308 CZ ARG A 91 -4.361 10.503 14.861 1.00 0.00 C ATOM 1309 NH1 ARG A 91 -4.243 11.586 15.616 1.00 0.00 N ATOM 1310 NH2 ARG A 91 -4.404 9.304 15.429 1.00 0.00 N ATOM 0 H ARG A 91 -2.926 13.563 9.813 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.754 11.562 10.034 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.380 10.281 11.408 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.946 11.817 12.132 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.127 12.662 10.847 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.553 10.964 10.905 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.715 12.571 13.350 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.384 12.354 12.860 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.526 9.762 12.987 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.210 12.509 15.183 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.186 11.497 16.630 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.495 8.469 14.851 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.346 9.218 16.444 1.00 0.00 H new ATOM 1324 N TYR A 92 -1.825 9.894 8.478 1.00 0.00 N ATOM 1325 CA TYR A 92 -2.309 9.069 7.378 1.00 0.00 C ATOM 1326 C TYR A 92 -2.549 7.634 7.837 1.00 0.00 C ATOM 1327 O TYR A 92 -1.766 7.078 8.607 1.00 0.00 O ATOM 1328 CB TYR A 92 -1.307 9.085 6.222 1.00 0.00 C ATOM 1329 CG TYR A 92 -1.374 10.339 5.380 1.00 0.00 C ATOM 1330 CD1 TYR A 92 -2.531 10.673 4.687 1.00 0.00 C ATOM 1331 CD2 TYR A 92 -0.280 11.190 5.277 1.00 0.00 C ATOM 1332 CE1 TYR A 92 -2.597 11.818 3.916 1.00 0.00 C ATOM 1333 CE2 TYR A 92 -0.338 12.337 4.510 1.00 0.00 C ATOM 1334 CZ TYR A 92 -1.498 12.647 3.831 1.00 0.00 C ATOM 1335 OH TYR A 92 -1.558 13.788 3.065 1.00 0.00 O ATOM 0 H TYR A 92 -0.997 9.527 8.947 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.257 9.485 7.036 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.299 8.981 6.624 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.487 8.219 5.584 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -3.394 10.027 4.752 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.631 10.950 5.806 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -3.504 12.062 3.383 1.00 0.00 H new ATOM 0 HE2 TYR A 92 0.521 12.988 4.442 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.949 14.462 3.433 1.00 0.00 H new ATOM 1345 N MET A 93 -3.637 7.040 7.357 1.00 0.00 N ATOM 1346 CA MET A 93 -3.980 5.669 7.717 1.00 0.00 C ATOM 1347 C MET A 93 -3.937 4.759 6.493 1.00 0.00 C ATOM 1348 O MET A 93 -4.813 4.821 5.631 1.00 0.00 O ATOM 1349 CB MET A 93 -5.370 5.619 8.354 1.00 0.00 C ATOM 1350 CG MET A 93 -5.706 4.273 8.975 1.00 0.00 C ATOM 1351 SD MET A 93 -7.163 4.341 10.035 1.00 0.00 S ATOM 1352 CE MET A 93 -6.548 5.337 11.391 1.00 0.00 C ATOM 0 H MET A 93 -4.296 7.486 6.718 1.00 0.00 H new ATOM 0 HA MET A 93 -3.244 5.314 8.439 1.00 0.00 H new ATOM 0 HB2 MET A 93 -5.437 6.391 9.121 1.00 0.00 H new ATOM 0 HB3 MET A 93 -6.117 5.857 7.596 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.872 3.543 8.183 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.854 3.923 9.558 1.00 0.00 H new ATOM 0 HE1 MET A 93 -6.723 4.817 12.333 1.00 0.00 H new ATOM 0 HE2 MET A 93 -5.479 5.505 11.263 1.00 0.00 H new ATOM 0 HE3 MET A 93 -7.067 6.295 11.403 1.00 0.00 H new ATOM 1362 N ILE A 94 -2.911 3.917 6.424 1.00 0.00 N ATOM 1363 CA ILE A 94 -2.755 2.995 5.307 1.00 0.00 C ATOM 1364 C ILE A 94 -3.162 1.579 5.701 1.00 0.00 C ATOM 1365 O ILE A 94 -2.662 1.028 6.680 1.00 0.00 O ATOM 1366 CB ILE A 94 -1.303 2.975 4.792 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -0.851 4.388 4.421 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -1.178 2.042 3.597 1.00 0.00 C ATOM 1369 CD1 ILE A 94 0.650 4.529 4.293 1.00 0.00 C ATOM 0 H ILE A 94 -2.176 3.855 7.129 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.410 3.350 4.511 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.656 2.604 5.587 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.316 4.673 3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.210 5.086 5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.147 2.039 3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.464 1.032 3.892 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.834 2.386 2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.898 5.557 4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.122 4.275 5.242 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.014 3.857 3.516 1.00 0.00 H new ATOM 1381 N GLY A 95 -4.074 0.995 4.929 1.00 0.00 N ATOM 1382 CA GLY A 95 -4.532 -0.353 5.213 1.00 0.00 C ATOM 1383 C GLY A 95 -4.167 -1.333 4.115 1.00 0.00 C ATOM 1384 O GLY A 95 -4.875 -1.448 3.115 1.00 0.00 O ATOM 0 H GLY A 95 -4.503 1.431 4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.099 -0.690 6.155 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.614 -0.346 5.344 1.00 0.00 H new ATOM 1388 N VAL A 96 -3.057 -2.040 4.301 1.00 0.00 N ATOM 1389 CA VAL A 96 -2.598 -3.015 3.318 1.00 0.00 C ATOM 1390 C VAL A 96 -3.359 -4.329 3.451 1.00 0.00 C ATOM 1391 O VAL A 96 -3.587 -4.819 4.558 1.00 0.00 O ATOM 1392 CB VAL A 96 -1.089 -3.290 3.464 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -0.641 -4.347 2.466 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -0.294 -2.006 3.286 1.00 0.00 C ATOM 0 H VAL A 96 -2.459 -1.956 5.123 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.788 -2.587 2.334 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.901 -3.670 4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.427 -4.529 2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.188 -5.272 2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.841 -3.998 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.770 -2.219 3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.484 -1.595 2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.597 -1.283 4.043 1.00 0.00 H new ATOM 1404 N THR A 97 -3.750 -4.897 2.315 1.00 0.00 N ATOM 1405 CA THR A 97 -4.486 -6.155 2.303 1.00 0.00 C ATOM 1406 C THR A 97 -3.901 -7.125 1.283 1.00 0.00 C ATOM 1407 O THR A 97 -3.457 -6.719 0.209 1.00 0.00 O ATOM 1408 CB THR A 97 -5.977 -5.931 1.985 1.00 0.00 C ATOM 1409 OG1 THR A 97 -6.111 -5.165 0.782 1.00 0.00 O ATOM 1410 CG2 THR A 97 -6.672 -5.211 3.130 1.00 0.00 C ATOM 0 H THR A 97 -3.569 -4.506 1.391 1.00 0.00 H new ATOM 0 HA THR A 97 -4.395 -6.583 3.301 1.00 0.00 H new ATOM 0 HB THR A 97 -6.448 -6.905 1.850 1.00 0.00 H new ATOM 0 HG1 THR A 97 -5.833 -4.240 0.950 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.723 -5.064 2.883 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.593 -5.810 4.038 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.199 -4.243 3.292 1.00 0.00 H new ATOM 1418 N TYR A 98 -3.904 -8.409 1.626 1.00 0.00 N ATOM 1419 CA TYR A 98 -3.371 -9.437 0.740 1.00 0.00 C ATOM 1420 C TYR A 98 -4.346 -10.604 0.611 1.00 0.00 C ATOM 1421 O TYR A 98 -4.622 -11.307 1.582 1.00 0.00 O ATOM 1422 CB TYR A 98 -2.023 -9.939 1.259 1.00 0.00 C ATOM 1423 CG TYR A 98 -1.091 -10.412 0.167 1.00 0.00 C ATOM 1424 CD1 TYR A 98 -0.435 -9.504 -0.655 1.00 0.00 C ATOM 1425 CD2 TYR A 98 -0.866 -11.767 -0.043 1.00 0.00 C ATOM 1426 CE1 TYR A 98 0.417 -9.931 -1.655 1.00 0.00 C ATOM 1427 CE2 TYR A 98 -0.014 -12.203 -1.040 1.00 0.00 C ATOM 1428 CZ TYR A 98 0.624 -11.282 -1.843 1.00 0.00 C ATOM 1429 OH TYR A 98 1.473 -11.712 -2.837 1.00 0.00 O ATOM 0 H TYR A 98 -4.269 -8.762 2.510 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.231 -8.994 -0.246 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.538 -9.139 1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.194 -10.757 1.958 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.594 -8.446 -0.510 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.365 -12.492 0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.918 -9.212 -2.286 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.151 -13.260 -1.189 1.00 0.00 H new ATOM 0 HH TYR A 98 1.759 -12.630 -2.649 1.00 0.00 H new ATOM 1439 N GLY A 99 -4.865 -10.803 -0.597 1.00 0.00 N ATOM 1440 CA GLY A 99 -5.802 -11.885 -0.832 1.00 0.00 C ATOM 1441 C GLY A 99 -7.124 -11.672 -0.121 1.00 0.00 C ATOM 1442 O GLY A 99 -7.678 -12.600 0.466 1.00 0.00 O ATOM 0 H GLY A 99 -4.653 -10.234 -1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.980 -11.981 -1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.360 -12.823 -0.497 1.00 0.00 H new ATOM 1446 N GLY A 100 -7.631 -10.443 -0.172 1.00 0.00 N ATOM 1447 CA GLY A 100 -8.891 -10.133 0.477 1.00 0.00 C ATOM 1448 C GLY A 100 -8.826 -10.310 1.981 1.00 0.00 C ATOM 1449 O GLY A 100 -9.814 -10.688 2.611 1.00 0.00 O ATOM 0 H GLY A 100 -7.191 -9.657 -0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.172 -9.105 0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.673 -10.775 0.072 1.00 0.00 H new ATOM 1453 N ASP A 101 -7.661 -10.039 2.558 1.00 0.00 N ATOM 1454 CA ASP A 101 -7.471 -10.172 3.998 1.00 0.00 C ATOM 1455 C ASP A 101 -6.455 -9.154 4.509 1.00 0.00 C ATOM 1456 O ASP A 101 -5.292 -9.168 4.105 1.00 0.00 O ATOM 1457 CB ASP A 101 -7.012 -11.588 4.345 1.00 0.00 C ATOM 1458 CG ASP A 101 -8.174 -12.531 4.590 1.00 0.00 C ATOM 1459 OD1 ASP A 101 -9.219 -12.066 5.092 1.00 0.00 O ATOM 1460 OD2 ASP A 101 -8.039 -13.732 4.278 1.00 0.00 O ATOM 0 H ASP A 101 -6.833 -9.726 2.051 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.427 -9.979 4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.398 -11.977 3.533 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.382 -11.555 5.234 1.00 0.00 H new ATOM 1465 N ASP A 102 -6.903 -8.273 5.396 1.00 0.00 N ATOM 1466 CA ASP A 102 -6.033 -7.248 5.961 1.00 0.00 C ATOM 1467 C ASP A 102 -4.957 -7.875 6.842 1.00 0.00 C ATOM 1468 O ASP A 102 -5.217 -8.833 7.571 1.00 0.00 O ATOM 1469 CB ASP A 102 -6.853 -6.244 6.773 1.00 0.00 C ATOM 1470 CG ASP A 102 -7.877 -6.919 7.664 1.00 0.00 C ATOM 1471 OD1 ASP A 102 -7.467 -7.643 8.596 1.00 0.00 O ATOM 1472 OD2 ASP A 102 -9.088 -6.724 7.430 1.00 0.00 O ATOM 0 H ASP A 102 -7.863 -8.248 5.739 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.545 -6.726 5.138 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.182 -5.643 7.386 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.362 -5.560 6.093 1.00 0.00 H new ATOM 1477 N ILE A 103 -3.747 -7.329 6.768 1.00 0.00 N ATOM 1478 CA ILE A 103 -2.632 -7.835 7.559 1.00 0.00 C ATOM 1479 C ILE A 103 -2.723 -7.360 9.005 1.00 0.00 C ATOM 1480 O ILE A 103 -3.294 -6.311 9.305 1.00 0.00 O ATOM 1481 CB ILE A 103 -1.279 -7.394 6.970 1.00 0.00 C ATOM 1482 CG1 ILE A 103 -1.241 -5.873 6.805 1.00 0.00 C ATOM 1483 CG2 ILE A 103 -1.032 -8.083 5.636 1.00 0.00 C ATOM 1484 CD1 ILE A 103 0.098 -5.349 6.337 1.00 0.00 C ATOM 0 H ILE A 103 -3.514 -6.537 6.169 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.694 -8.923 7.532 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.487 -7.686 7.660 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.009 -5.574 6.091 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.492 -5.406 7.757 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.072 -7.761 5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.021 -9.163 5.781 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.826 -7.819 4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.051 -4.264 6.242 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.867 -5.617 7.061 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.342 -5.788 5.369 1.00 0.00 H new ATOM 1496 N PRO A 104 -2.146 -8.149 9.924 1.00 0.00 N ATOM 1497 CA PRO A 104 -2.147 -7.829 11.355 1.00 0.00 C ATOM 1498 C PRO A 104 -1.259 -6.633 11.681 1.00 0.00 C ATOM 1499 O PRO A 104 -1.113 -6.254 12.844 1.00 0.00 O ATOM 1500 CB PRO A 104 -1.592 -9.099 12.003 1.00 0.00 C ATOM 1501 CG PRO A 104 -0.769 -9.739 10.939 1.00 0.00 C ATOM 1502 CD PRO A 104 -1.449 -9.414 9.637 1.00 0.00 C ATOM 0 HA PRO A 104 -3.140 -7.552 11.710 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -0.991 -8.865 12.881 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.395 -9.758 12.333 1.00 0.00 H new ATOM 0 HG2 PRO A 104 0.252 -9.357 10.952 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -0.708 -10.817 11.089 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -0.730 -9.302 8.825 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -2.145 -10.198 9.340 1.00 0.00 H new ATOM 1510 N LEU A 105 -0.668 -6.041 10.649 1.00 0.00 N ATOM 1511 CA LEU A 105 0.205 -4.886 10.826 1.00 0.00 C ATOM 1512 C LEU A 105 -0.555 -3.586 10.585 1.00 0.00 C ATOM 1513 O LEU A 105 -0.191 -2.536 11.114 1.00 0.00 O ATOM 1514 CB LEU A 105 1.400 -4.976 9.875 1.00 0.00 C ATOM 1515 CG LEU A 105 2.611 -5.754 10.390 1.00 0.00 C ATOM 1516 CD1 LEU A 105 3.274 -5.012 11.541 1.00 0.00 C ATOM 1517 CD2 LEU A 105 2.201 -7.154 10.823 1.00 0.00 C ATOM 0 H LEU A 105 -0.778 -6.342 9.681 1.00 0.00 H new ATOM 0 HA LEU A 105 0.566 -4.888 11.855 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.065 -5.437 8.946 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.721 -3.963 9.630 1.00 0.00 H new ATOM 0 HG LEU A 105 3.333 -5.842 9.578 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.134 -5.582 11.894 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.604 -4.031 11.199 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.560 -4.891 12.355 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.076 -7.693 11.187 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.460 -7.086 11.619 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.773 -7.687 9.974 1.00 0.00 H new ATOM 1529 N SER A 106 -1.613 -3.665 9.785 1.00 0.00 N ATOM 1530 CA SER A 106 -2.424 -2.494 9.472 1.00 0.00 C ATOM 1531 C SER A 106 -3.549 -2.326 10.489 1.00 0.00 C ATOM 1532 O SER A 106 -3.921 -3.258 11.201 1.00 0.00 O ATOM 1533 CB SER A 106 -3.007 -2.613 8.063 1.00 0.00 C ATOM 1534 OG SER A 106 -2.152 -2.015 7.105 1.00 0.00 O ATOM 0 H SER A 106 -1.929 -4.528 9.342 1.00 0.00 H new ATOM 0 HA SER A 106 -1.782 -1.614 9.518 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.157 -3.664 7.816 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.986 -2.135 8.030 1.00 0.00 H new ATOM 0 HG SER A 106 -1.223 -2.080 7.410 1.00 0.00 H new ATOM 1540 N PRO A 107 -4.106 -1.107 10.558 1.00 0.00 N ATOM 1541 CA PRO A 107 -3.672 0.010 9.715 1.00 0.00 C ATOM 1542 C PRO A 107 -2.283 0.516 10.092 1.00 0.00 C ATOM 1543 O PRO A 107 -1.654 -0.002 11.015 1.00 0.00 O ATOM 1544 CB PRO A 107 -4.725 1.088 9.984 1.00 0.00 C ATOM 1545 CG PRO A 107 -5.253 0.771 11.340 1.00 0.00 C ATOM 1546 CD PRO A 107 -5.202 -0.727 11.464 1.00 0.00 C ATOM 0 HA PRO A 107 -3.595 -0.277 8.666 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -4.287 2.086 9.953 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.517 1.064 9.235 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -4.652 1.247 12.114 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.273 1.138 11.457 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -5.002 -1.039 12.489 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.145 -1.187 11.169 1.00 0.00 H new ATOM 1554 N TYR A 108 -1.812 1.529 9.374 1.00 0.00 N ATOM 1555 CA TYR A 108 -0.497 2.103 9.632 1.00 0.00 C ATOM 1556 C TYR A 108 -0.612 3.571 10.030 1.00 0.00 C ATOM 1557 O TYR A 108 -1.257 4.363 9.343 1.00 0.00 O ATOM 1558 CB TYR A 108 0.394 1.966 8.397 1.00 0.00 C ATOM 1559 CG TYR A 108 1.171 0.670 8.351 1.00 0.00 C ATOM 1560 CD1 TYR A 108 0.581 -0.502 7.893 1.00 0.00 C ATOM 1561 CD2 TYR A 108 2.497 0.616 8.765 1.00 0.00 C ATOM 1562 CE1 TYR A 108 1.287 -1.688 7.850 1.00 0.00 C ATOM 1563 CE2 TYR A 108 3.211 -0.566 8.725 1.00 0.00 C ATOM 1564 CZ TYR A 108 2.601 -1.715 8.267 1.00 0.00 C ATOM 1565 OH TYR A 108 3.308 -2.895 8.225 1.00 0.00 O ATOM 0 H TYR A 108 -2.322 1.970 8.608 1.00 0.00 H new ATOM 0 HA TYR A 108 -0.046 1.555 10.459 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.225 2.041 7.503 1.00 0.00 H new ATOM 0 HB3 TYR A 108 1.094 2.801 8.370 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.448 -0.485 7.565 1.00 0.00 H new ATOM 0 HD2 TYR A 108 2.977 1.514 9.124 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.813 -2.590 7.492 1.00 0.00 H new ATOM 0 HE2 TYR A 108 4.241 -0.590 9.050 1.00 0.00 H new ATOM 0 HH TYR A 108 4.219 -2.742 8.552 1.00 0.00 H new ATOM 1575 N ARG A 109 0.019 3.926 11.145 1.00 0.00 N ATOM 1576 CA ARG A 109 -0.012 5.299 11.636 1.00 0.00 C ATOM 1577 C ARG A 109 1.223 6.068 11.177 1.00 0.00 C ATOM 1578 O ARG A 109 2.351 5.715 11.523 1.00 0.00 O ATOM 1579 CB ARG A 109 -0.098 5.315 13.163 1.00 0.00 C ATOM 1580 CG ARG A 109 -1.423 4.802 13.703 1.00 0.00 C ATOM 1581 CD ARG A 109 -1.473 4.880 15.221 1.00 0.00 C ATOM 1582 NE ARG A 109 -2.741 4.388 15.753 1.00 0.00 N ATOM 1583 CZ ARG A 109 -2.901 3.972 17.004 1.00 0.00 C ATOM 1584 NH1 ARG A 109 -1.879 3.988 17.848 1.00 0.00 N ATOM 1585 NH2 ARG A 109 -4.087 3.538 17.414 1.00 0.00 N ATOM 0 H ARG A 109 0.557 3.282 11.725 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.896 5.786 11.224 1.00 0.00 H new ATOM 0 HB2 ARG A 109 0.710 4.708 13.571 1.00 0.00 H new ATOM 0 HB3 ARG A 109 0.059 6.334 13.517 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.240 5.386 13.280 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -1.572 3.770 13.385 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -0.653 4.297 15.641 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -1.324 5.913 15.536 1.00 0.00 H new ATOM 0 HE ARG A 109 -3.548 4.362 15.130 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -0.966 4.321 17.537 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -2.005 3.668 18.808 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -4.876 3.524 16.768 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -4.209 3.219 18.375 1.00 0.00 H new ATOM 1599 N ILE A 110 1.002 7.121 10.397 1.00 0.00 N ATOM 1600 CA ILE A 110 2.097 7.940 9.892 1.00 0.00 C ATOM 1601 C ILE A 110 1.790 9.426 10.049 1.00 0.00 C ATOM 1602 O ILE A 110 0.632 9.840 9.988 1.00 0.00 O ATOM 1603 CB ILE A 110 2.387 7.641 8.410 1.00 0.00 C ATOM 1604 CG1 ILE A 110 2.470 6.130 8.179 1.00 0.00 C ATOM 1605 CG2 ILE A 110 3.677 8.320 7.974 1.00 0.00 C ATOM 1606 CD1 ILE A 110 2.736 5.753 6.738 1.00 0.00 C ATOM 0 H ILE A 110 0.075 7.427 10.101 1.00 0.00 H new ATOM 0 HA ILE A 110 2.977 7.689 10.484 1.00 0.00 H new ATOM 0 HB ILE A 110 1.569 8.038 7.808 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.261 5.718 8.806 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.536 5.670 8.500 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.868 8.099 6.924 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.584 9.398 8.107 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.505 7.950 8.579 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.782 4.668 6.648 1.00 0.00 H new ATOM 0 HD12 ILE A 110 1.933 6.135 6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.685 6.184 6.418 1.00 0.00 H new ATOM 1618 N ARG A 111 2.834 10.222 10.248 1.00 0.00 N ATOM 1619 CA ARG A 111 2.676 11.663 10.412 1.00 0.00 C ATOM 1620 C ARG A 111 3.581 12.422 9.447 1.00 0.00 C ATOM 1621 O ARG A 111 4.782 12.164 9.373 1.00 0.00 O ATOM 1622 CB ARG A 111 2.992 12.071 11.853 1.00 0.00 C ATOM 1623 CG ARG A 111 1.804 11.952 12.793 1.00 0.00 C ATOM 1624 CD ARG A 111 2.135 12.485 14.179 1.00 0.00 C ATOM 1625 NE ARG A 111 1.961 13.933 14.264 1.00 0.00 N ATOM 1626 CZ ARG A 111 2.584 14.696 15.155 1.00 0.00 C ATOM 1627 NH1 ARG A 111 3.417 14.153 16.031 1.00 0.00 N ATOM 1628 NH2 ARG A 111 2.373 16.006 15.170 1.00 0.00 N ATOM 0 H ARG A 111 3.799 9.895 10.300 1.00 0.00 H new ATOM 0 HA ARG A 111 1.640 11.918 10.188 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.805 11.449 12.228 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.349 13.101 11.860 1.00 0.00 H new ATOM 0 HG2 ARG A 111 0.957 12.503 12.383 1.00 0.00 H new ATOM 0 HG3 ARG A 111 1.500 10.908 12.866 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.496 11.999 14.916 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.164 12.228 14.430 1.00 0.00 H new ATOM 0 HE ARG A 111 1.327 14.382 13.603 1.00 0.00 H new ATOM 0 HH11 ARG A 111 3.581 13.146 16.022 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.894 14.742 16.714 1.00 0.00 H new ATOM 0 HH21 ARG A 111 1.732 16.427 14.497 1.00 0.00 H new ATOM 0 HH22 ARG A 111 2.851 16.592 15.854 1.00 0.00 H new ATOM 1642 N ALA A 112 2.996 13.360 8.709 1.00 0.00 N ATOM 1643 CA ALA A 112 3.749 14.158 7.750 1.00 0.00 C ATOM 1644 C ALA A 112 4.367 15.381 8.418 1.00 0.00 C ATOM 1645 O ALA A 112 3.674 16.351 8.726 1.00 0.00 O ATOM 1646 CB ALA A 112 2.852 14.581 6.596 1.00 0.00 C ATOM 0 H ALA A 112 2.002 13.586 8.757 1.00 0.00 H new ATOM 0 HA ALA A 112 4.559 13.542 7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.427 15.176 5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.463 13.695 6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.022 15.175 6.979 1.00 0.00 H new ATOM 1652 N THR A 113 5.677 15.329 8.643 1.00 0.00 N ATOM 1653 CA THR A 113 6.388 16.431 9.277 1.00 0.00 C ATOM 1654 C THR A 113 6.898 17.425 8.240 1.00 0.00 C ATOM 1655 O THR A 113 7.407 17.034 7.190 1.00 0.00 O ATOM 1656 CB THR A 113 7.577 15.925 10.115 1.00 0.00 C ATOM 1657 OG1 THR A 113 8.342 17.034 10.600 1.00 0.00 O ATOM 1658 CG2 THR A 113 8.469 15.010 9.290 1.00 0.00 C ATOM 0 H THR A 113 6.266 14.534 8.395 1.00 0.00 H new ATOM 0 HA THR A 113 5.676 16.929 9.935 1.00 0.00 H new ATOM 0 HB THR A 113 7.183 15.359 10.959 1.00 0.00 H new ATOM 0 HG1 THR A 113 9.095 16.704 11.133 1.00 0.00 H new ATOM 0 HG21 THR A 113 9.302 14.665 9.903 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.891 14.152 8.946 1.00 0.00 H new ATOM 0 HG23 THR A 113 8.854 15.557 8.429 1.00 0.00 H new ATOM 1666 N GLN A 114 6.759 18.712 8.542 1.00 0.00 N ATOM 1667 CA GLN A 114 7.207 19.762 7.635 1.00 0.00 C ATOM 1668 C GLN A 114 8.201 20.690 8.324 1.00 0.00 C ATOM 1669 O GLN A 114 8.222 20.794 9.551 1.00 0.00 O ATOM 1670 CB GLN A 114 6.011 20.566 7.122 1.00 0.00 C ATOM 1671 CG GLN A 114 6.218 21.145 5.732 1.00 0.00 C ATOM 1672 CD GLN A 114 4.915 21.526 5.058 1.00 0.00 C ATOM 1673 OE1 GLN A 114 4.148 20.662 4.631 1.00 0.00 O ATOM 1674 NE2 GLN A 114 4.657 22.825 4.959 1.00 0.00 N ATOM 0 H GLN A 114 6.340 19.052 9.407 1.00 0.00 H new ATOM 0 HA GLN A 114 7.707 19.288 6.790 1.00 0.00 H new ATOM 0 HB2 GLN A 114 5.130 19.924 7.112 1.00 0.00 H new ATOM 0 HB3 GLN A 114 5.805 21.379 7.818 1.00 0.00 H new ATOM 0 HG2 GLN A 114 6.858 22.025 5.801 1.00 0.00 H new ATOM 0 HG3 GLN A 114 6.743 20.417 5.114 1.00 0.00 H new ATOM 0 HE21 GLN A 114 5.321 23.506 5.327 1.00 0.00 H new ATOM 0 HE22 GLN A 114 3.795 23.141 4.515 1.00 0.00 H new ATOM 1683 N THR A 115 9.025 21.364 7.528 1.00 0.00 N ATOM 1684 CA THR A 115 10.023 22.282 8.061 1.00 0.00 C ATOM 1685 C THR A 115 9.918 23.652 7.401 1.00 0.00 C ATOM 1686 O THR A 115 9.629 23.758 6.210 1.00 0.00 O ATOM 1687 CB THR A 115 11.451 21.738 7.863 1.00 0.00 C ATOM 1688 OG1 THR A 115 11.682 21.462 6.477 1.00 0.00 O ATOM 1689 CG2 THR A 115 11.665 20.472 8.680 1.00 0.00 C ATOM 0 H THR A 115 9.020 21.291 6.511 1.00 0.00 H new ATOM 0 HA THR A 115 9.824 22.379 9.128 1.00 0.00 H new ATOM 0 HB THR A 115 12.156 22.496 8.204 1.00 0.00 H new ATOM 0 HG1 THR A 115 12.592 21.118 6.359 1.00 0.00 H new ATOM 0 HG21 THR A 115 12.680 20.106 8.525 1.00 0.00 H new ATOM 0 HG22 THR A 115 11.516 20.692 9.737 1.00 0.00 H new ATOM 0 HG23 THR A 115 10.952 19.710 8.364 1.00 0.00 H new ATOM 1697 N GLY A 116 10.156 24.701 8.183 1.00 0.00 N ATOM 1698 CA GLY A 116 10.083 26.051 7.656 1.00 0.00 C ATOM 1699 C GLY A 116 8.750 26.713 7.938 1.00 0.00 C ATOM 1700 O GLY A 116 7.746 26.034 8.158 1.00 0.00 O ATOM 0 H GLY A 116 10.398 24.640 9.172 1.00 0.00 H new ATOM 0 HA2 GLY A 116 10.882 26.651 8.091 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.252 26.027 6.580 1.00 0.00 H new ATOM 1704 N ASP A 117 8.738 28.042 7.934 1.00 0.00 N ATOM 1705 CA ASP A 117 7.517 28.796 8.193 1.00 0.00 C ATOM 1706 C ASP A 117 6.956 29.382 6.901 1.00 0.00 C ATOM 1707 O ASP A 117 7.573 29.278 5.841 1.00 0.00 O ATOM 1708 CB ASP A 117 7.787 29.915 9.200 1.00 0.00 C ATOM 1709 CG ASP A 117 6.512 30.479 9.795 1.00 0.00 C ATOM 1710 OD1 ASP A 117 5.807 29.730 10.504 1.00 0.00 O ATOM 1711 OD2 ASP A 117 6.218 31.668 9.552 1.00 0.00 O ATOM 0 H ASP A 117 9.560 28.619 7.754 1.00 0.00 H new ATOM 0 HA ASP A 117 6.779 28.112 8.611 1.00 0.00 H new ATOM 0 HB2 ASP A 117 8.421 29.534 10.001 1.00 0.00 H new ATOM 0 HB3 ASP A 117 8.341 30.716 8.709 1.00 0.00 H new ATOM 1716 N ALA A 118 5.782 29.997 6.997 1.00 0.00 N ATOM 1717 CA ALA A 118 5.139 30.600 5.836 1.00 0.00 C ATOM 1718 C ALA A 118 4.601 31.989 6.166 1.00 0.00 C ATOM 1719 O ALA A 118 4.205 32.258 7.300 1.00 0.00 O ATOM 1720 CB ALA A 118 4.017 29.705 5.329 1.00 0.00 C ATOM 0 H ALA A 118 5.257 30.091 7.866 1.00 0.00 H new ATOM 0 HA ALA A 118 5.888 30.705 5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.546 30.168 4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.425 28.735 5.045 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.275 29.570 6.116 1.00 0.00 H new ATOM 1726 N SER A 119 4.592 32.867 5.168 1.00 0.00 N ATOM 1727 CA SER A 119 4.108 34.230 5.354 1.00 0.00 C ATOM 1728 C SER A 119 2.610 34.317 5.077 1.00 0.00 C ATOM 1729 O SER A 119 1.990 35.360 5.280 1.00 0.00 O ATOM 1730 CB SER A 119 4.864 35.192 4.436 1.00 0.00 C ATOM 1731 OG SER A 119 4.443 36.530 4.641 1.00 0.00 O ATOM 0 H SER A 119 4.914 32.659 4.223 1.00 0.00 H new ATOM 0 HA SER A 119 4.286 34.514 6.391 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.935 35.112 4.623 1.00 0.00 H new ATOM 0 HB3 SER A 119 4.700 34.911 3.396 1.00 0.00 H new ATOM 0 HG SER A 119 3.489 36.542 4.866 1.00 0.00 H new TER 1737 SER A 119