USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 577 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 34 SER OG : rot 180:sc= 1.03 USER MOD Set 1.2: A 36 SER OG : rot -89:sc= 1.46 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.021) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0392 USER MOD Single : A 16 GLN : amide:sc= -0.098 X(o=-0.098,f=-0.098) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.0046) USER MOD Single : A 38 GLN : amide:sc= -0.0932 X(o=-0.093,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0917) USER MOD Single : A 68 HIS : no HD1:sc= -0.0223 X(o=-0.022,f=-0.49) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -158:sc= 0.941 (180deg=0.313) USER MOD Single : A 85 SER OG : rot 25:sc= 0.465 USER MOD Single : A 88 TYR OH : rot 33:sc= 0.75 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 78:sc= 0.843 USER MOD Single : A 98 GLN : amide:sc= -0.941 X(o=-0.94,f=-0.49) USER MOD Single : A 99 HIS : no HE2:sc= -7.96! C(o=-8!,f=-9.7!) USER MOD Single : A 100 SER OG : rot -82:sc= 0.0422 USER MOD Single : A 102 SER OG : rot 9:sc= 0.1 USER MOD Single : A 105 SER OG : rot 72:sc= 0.448 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot 180:sc= -0.343 USER MOD ----------------------------------------------------------------- ATOM 69 N PHE A 6 -9.492 9.412 3.778 1.00 74.23 N ATOM 70 CA PHE A 6 -9.708 8.321 4.721 1.00 5.00 C ATOM 71 C PHE A 6 -8.666 7.223 4.529 1.00 4.45 C ATOM 72 O PHE A 6 -8.321 6.509 5.473 1.00 74.14 O ATOM 73 CB PHE A 6 -11.114 7.743 4.550 1.00 2.15 C ATOM 74 CG PHE A 6 -12.006 7.977 5.737 1.00 72.42 C ATOM 75 CD1 PHE A 6 -11.792 7.300 6.926 1.00 21.43 C ATOM 76 CD2 PHE A 6 -13.059 8.873 5.661 1.00 63.14 C ATOM 77 CE1 PHE A 6 -12.611 7.513 8.019 1.00 73.40 C ATOM 78 CE2 PHE A 6 -13.882 9.092 6.750 1.00 21.44 C ATOM 79 CZ PHE A 6 -13.657 8.409 7.930 1.00 1.30 C ATOM 0 HA PHE A 6 -9.607 8.720 5.730 1.00 5.00 H new ATOM 0 HB2 PHE A 6 -11.575 8.184 3.666 1.00 2.15 H new ATOM 0 HB3 PHE A 6 -11.038 6.671 4.368 1.00 2.15 H new ATOM 0 HD1 PHE A 6 -10.975 6.597 7.000 1.00 21.43 H new ATOM 0 HD2 PHE A 6 -13.240 9.407 4.740 1.00 63.14 H new ATOM 0 HE1 PHE A 6 -12.433 6.979 8.941 1.00 73.40 H new ATOM 0 HE2 PHE A 6 -14.699 9.795 6.679 1.00 21.44 H new ATOM 0 HZ PHE A 6 -14.299 8.576 8.782 1.00 1.30 H new ATOM 88 N TRP A 7 -8.170 7.093 3.305 1.00 72.24 N ATOM 89 CA TRP A 7 -7.168 6.081 2.989 1.00 15.41 C ATOM 90 C TRP A 7 -5.759 6.637 3.165 1.00 13.41 C ATOM 91 O TRP A 7 -4.775 5.903 3.064 1.00 52.41 O ATOM 92 CB TRP A 7 -7.356 5.577 1.558 1.00 13.11 C ATOM 93 CG TRP A 7 -8.402 4.510 1.436 1.00 21.52 C ATOM 94 CD1 TRP A 7 -9.473 4.505 0.588 1.00 2.35 C ATOM 95 CD2 TRP A 7 -8.477 3.293 2.188 1.00 64.33 C ATOM 96 NE1 TRP A 7 -10.209 3.358 0.769 1.00 45.12 N ATOM 97 CE2 TRP A 7 -9.618 2.598 1.744 1.00 51.32 C ATOM 98 CE3 TRP A 7 -7.689 2.723 3.192 1.00 73.30 C ATOM 99 CZ2 TRP A 7 -9.989 1.364 2.270 1.00 1.42 C ATOM 100 CZ3 TRP A 7 -8.059 1.499 3.714 1.00 33.31 C ATOM 101 CH2 TRP A 7 -9.200 0.829 3.252 1.00 12.23 C ATOM 0 H TRP A 7 -8.445 7.676 2.514 1.00 72.24 H new ATOM 0 HA TRP A 7 -7.298 5.248 3.680 1.00 15.41 H new ATOM 0 HB2 TRP A 7 -7.627 6.416 0.918 1.00 13.11 H new ATOM 0 HB3 TRP A 7 -6.406 5.189 1.190 1.00 13.11 H new ATOM 0 HD1 TRP A 7 -9.707 5.286 -0.120 1.00 2.35 H new ATOM 0 HE1 TRP A 7 -11.058 3.112 0.260 1.00 45.12 H new ATOM 0 HE3 TRP A 7 -6.807 3.231 3.553 1.00 73.30 H new ATOM 0 HZ2 TRP A 7 -10.868 0.847 1.916 1.00 1.42 H new ATOM 0 HZ3 TRP A 7 -7.459 1.050 4.492 1.00 33.31 H new ATOM 0 HH2 TRP A 7 -9.462 -0.128 3.679 1.00 12.23 H new ATOM 111 N TYR A 8 -5.669 7.935 3.427 1.00 44.32 N ATOM 112 CA TYR A 8 -4.379 8.590 3.614 1.00 21.15 C ATOM 113 C TYR A 8 -4.224 9.088 5.048 1.00 24.35 C ATOM 114 O TYR A 8 -4.898 10.029 5.468 1.00 70.31 O ATOM 115 CB TYR A 8 -4.229 9.757 2.638 1.00 51.11 C ATOM 116 CG TYR A 8 -2.954 10.548 2.831 1.00 10.21 C ATOM 117 CD1 TYR A 8 -2.906 11.620 3.713 1.00 71.25 C ATOM 118 CD2 TYR A 8 -1.798 10.221 2.132 1.00 52.30 C ATOM 119 CE1 TYR A 8 -1.744 12.346 3.891 1.00 41.11 C ATOM 120 CE2 TYR A 8 -0.632 10.940 2.306 1.00 71.51 C ATOM 121 CZ TYR A 8 -0.609 12.002 3.186 1.00 52.12 C ATOM 122 OH TYR A 8 0.550 12.721 3.361 1.00 4.14 O ATOM 0 H TYR A 8 -6.474 8.556 3.515 1.00 44.32 H new ATOM 0 HA TYR A 8 -3.596 7.858 3.416 1.00 21.15 H new ATOM 0 HB2 TYR A 8 -4.258 9.373 1.618 1.00 51.11 H new ATOM 0 HB3 TYR A 8 -5.082 10.426 2.751 1.00 51.11 H new ATOM 0 HD1 TYR A 8 -3.792 11.890 4.269 1.00 71.25 H new ATOM 0 HD2 TYR A 8 -1.812 9.391 1.441 1.00 52.30 H new ATOM 0 HE1 TYR A 8 -1.724 13.179 4.579 1.00 41.11 H new ATOM 0 HE2 TYR A 8 0.258 10.672 1.756 1.00 71.51 H new ATOM 0 HH TYR A 8 1.255 12.348 2.792 1.00 4.14 H new ATOM 131 N LYS A 9 -3.330 8.449 5.796 1.00 31.05 N ATOM 132 CA LYS A 9 -3.082 8.826 7.183 1.00 75.34 C ATOM 133 C LYS A 9 -1.592 8.766 7.505 1.00 32.21 C ATOM 134 O LYS A 9 -0.988 7.695 7.560 1.00 61.32 O ATOM 135 CB LYS A 9 -3.857 7.907 8.128 1.00 2.25 C ATOM 136 CG LYS A 9 -5.348 8.194 8.169 1.00 22.05 C ATOM 137 CD LYS A 9 -5.684 9.254 9.204 1.00 44.41 C ATOM 138 CE LYS A 9 -7.187 9.437 9.348 1.00 53.13 C ATOM 139 NZ LYS A 9 -7.708 10.489 8.432 1.00 4.34 N ATOM 0 H LYS A 9 -2.765 7.667 5.465 1.00 31.05 H new ATOM 0 HA LYS A 9 -3.424 9.852 7.322 1.00 75.34 H new ATOM 0 HB2 LYS A 9 -3.703 6.872 7.822 1.00 2.25 H new ATOM 0 HB3 LYS A 9 -3.449 8.006 9.134 1.00 2.25 H new ATOM 0 HG2 LYS A 9 -5.683 8.525 7.186 1.00 22.05 H new ATOM 0 HG3 LYS A 9 -5.890 7.276 8.398 1.00 22.05 H new ATOM 0 HD2 LYS A 9 -5.257 8.972 10.166 1.00 44.41 H new ATOM 0 HD3 LYS A 9 -5.227 10.201 8.918 1.00 44.41 H new ATOM 0 HE2 LYS A 9 -7.689 8.492 9.139 1.00 53.13 H new ATOM 0 HE3 LYS A 9 -7.423 9.703 10.378 1.00 53.13 H new ATOM 0 HZ1 LYS A 9 -8.736 10.583 8.561 1.00 4.34 H new ATOM 0 HZ2 LYS A 9 -7.247 11.396 8.648 1.00 4.34 H new ATOM 0 HZ3 LYS A 9 -7.505 10.223 7.447 1.00 4.34 H new ATOM 149 N PRO A 10 -0.986 9.941 7.724 1.00 3.01 N ATOM 150 CA PRO A 10 0.440 10.048 8.047 1.00 63.14 C ATOM 151 C PRO A 10 0.762 9.512 9.437 1.00 4.04 C ATOM 152 O PRO A 10 1.814 8.908 9.653 1.00 4.34 O ATOM 153 CB PRO A 10 0.707 11.554 7.979 1.00 23.15 C ATOM 154 CG PRO A 10 -0.613 12.185 8.255 1.00 72.13 C ATOM 155 CD PRO A 10 -1.644 11.258 7.675 1.00 35.24 C ATOM 0 HA PRO A 10 1.057 9.461 7.367 1.00 63.14 H new ATOM 0 HB2 PRO A 10 1.452 11.858 8.714 1.00 23.15 H new ATOM 0 HB3 PRO A 10 1.088 11.845 7.000 1.00 23.15 H new ATOM 0 HG2 PRO A 10 -0.766 12.318 9.326 1.00 72.13 H new ATOM 0 HG3 PRO A 10 -0.676 13.173 7.799 1.00 72.13 H new ATOM 0 HD2 PRO A 10 -2.566 11.268 8.256 1.00 35.24 H new ATOM 0 HD3 PRO A 10 -1.907 11.538 6.655 1.00 35.24 H new ATOM 160 N HIS A 11 -0.150 9.734 10.378 1.00 52.35 N ATOM 161 CA HIS A 11 0.035 9.271 11.749 1.00 65.30 C ATOM 162 C HIS A 11 -0.298 7.788 11.871 1.00 1.55 C ATOM 163 O HIS A 11 0.172 7.108 12.785 1.00 42.00 O ATOM 164 CB HIS A 11 -0.836 10.083 12.707 1.00 72.25 C ATOM 165 CG HIS A 11 -0.224 11.387 13.116 1.00 64.40 C ATOM 166 ND1 HIS A 11 -0.969 12.505 13.425 1.00 10.21 N ATOM 167 CD2 HIS A 11 1.073 11.747 13.267 1.00 13.33 C ATOM 168 CE1 HIS A 11 -0.158 13.497 13.748 1.00 1.22 C ATOM 169 NE2 HIS A 11 1.087 13.063 13.660 1.00 14.24 N ATOM 0 H HIS A 11 -1.025 10.232 10.216 1.00 52.35 H new ATOM 0 HA HIS A 11 1.082 9.413 12.016 1.00 65.30 H new ATOM 0 HB2 HIS A 11 -1.799 10.276 12.234 1.00 72.25 H new ATOM 0 HB3 HIS A 11 -1.032 9.488 13.599 1.00 72.25 H new ATOM 0 HD2 HIS A 11 1.935 11.117 13.108 1.00 13.33 H new ATOM 0 HE1 HIS A 11 -0.461 14.493 14.035 1.00 1.22 H new ATOM 0 HE2 HIS A 11 1.923 13.615 13.853 1.00 14.24 H new ATOM 176 N LEU A 12 -1.113 7.292 10.947 1.00 33.12 N ATOM 177 CA LEU A 12 -1.511 5.888 10.952 1.00 40.03 C ATOM 178 C LEU A 12 -0.289 4.976 10.989 1.00 0.01 C ATOM 179 O LEU A 12 0.674 5.179 10.250 1.00 53.22 O ATOM 180 CB LEU A 12 -2.359 5.573 9.718 1.00 62.51 C ATOM 181 CG LEU A 12 -2.586 4.091 9.420 1.00 50.21 C ATOM 182 CD1 LEU A 12 -4.066 3.809 9.213 1.00 12.32 C ATOM 183 CD2 LEU A 12 -1.784 3.663 8.199 1.00 70.30 C ATOM 0 H LEU A 12 -1.511 7.841 10.185 1.00 33.12 H new ATOM 0 HA LEU A 12 -2.104 5.707 11.849 1.00 40.03 H new ATOM 0 HB2 LEU A 12 -3.331 6.052 9.838 1.00 62.51 H new ATOM 0 HB3 LEU A 12 -1.884 6.029 8.849 1.00 62.51 H new ATOM 0 HG LEU A 12 -2.243 3.511 10.277 1.00 50.21 H new ATOM 0 HD11 LEU A 12 -4.208 2.749 9.002 1.00 12.32 H new ATOM 0 HD12 LEU A 12 -4.617 4.077 10.115 1.00 12.32 H new ATOM 0 HD13 LEU A 12 -4.435 4.399 8.374 1.00 12.32 H new ATOM 0 HD21 LEU A 12 -1.958 2.605 8.002 1.00 70.30 H new ATOM 0 HD22 LEU A 12 -2.096 4.249 7.335 1.00 70.30 H new ATOM 0 HD23 LEU A 12 -0.723 3.828 8.385 1.00 70.30 H new ATOM 194 N SER A 13 -0.336 3.968 11.855 1.00 25.44 N ATOM 195 CA SER A 13 0.768 3.024 11.991 1.00 52.13 C ATOM 196 C SER A 13 0.511 1.766 11.167 1.00 71.14 C ATOM 197 O SER A 13 -0.591 1.557 10.660 1.00 32.13 O ATOM 198 CB SER A 13 0.972 2.653 13.460 1.00 45.20 C ATOM 199 OG SER A 13 -0.056 3.196 14.270 1.00 4.54 O ATOM 0 H SER A 13 -1.127 3.784 12.473 1.00 25.44 H new ATOM 0 HA SER A 13 1.672 3.504 11.617 1.00 52.13 H new ATOM 0 HB2 SER A 13 0.988 1.568 13.566 1.00 45.20 H new ATOM 0 HB3 SER A 13 1.940 3.021 13.800 1.00 45.20 H new ATOM 0 HG SER A 13 0.096 2.943 15.205 1.00 4.54 H new ATOM 204 N ARG A 14 1.537 0.931 11.039 1.00 23.41 N ATOM 205 CA ARG A 14 1.424 -0.306 10.276 1.00 63.43 C ATOM 206 C ARG A 14 0.251 -1.146 10.773 1.00 23.14 C ATOM 207 O ARG A 14 -0.560 -1.626 9.981 1.00 14.32 O ATOM 208 CB ARG A 14 2.721 -1.112 10.376 1.00 14.25 C ATOM 209 CG ARG A 14 3.194 -1.330 11.805 1.00 74.12 C ATOM 210 CD ARG A 14 4.591 -1.928 11.844 1.00 61.42 C ATOM 211 NE ARG A 14 4.990 -2.299 13.199 1.00 1.11 N ATOM 212 CZ ARG A 14 6.128 -2.921 13.486 1.00 21.13 C ATOM 213 NH1 ARG A 14 6.976 -3.239 12.517 1.00 11.13 N ATOM 214 NH2 ARG A 14 6.421 -3.225 14.744 1.00 73.32 N ATOM 0 H ARG A 14 2.455 1.089 11.454 1.00 23.41 H new ATOM 0 HA ARG A 14 1.246 -0.045 9.233 1.00 63.43 H new ATOM 0 HB2 ARG A 14 2.574 -2.081 9.899 1.00 14.25 H new ATOM 0 HB3 ARG A 14 3.503 -0.597 9.818 1.00 14.25 H new ATOM 0 HG2 ARG A 14 3.188 -0.380 12.340 1.00 74.12 H new ATOM 0 HG3 ARG A 14 2.499 -1.992 12.322 1.00 74.12 H new ATOM 0 HD2 ARG A 14 4.627 -2.808 11.202 1.00 61.42 H new ATOM 0 HD3 ARG A 14 5.304 -1.210 11.440 1.00 61.42 H new ATOM 0 HE ARG A 14 4.360 -2.068 13.967 1.00 1.11 H new ATOM 0 HH11 ARG A 14 6.755 -3.006 11.549 1.00 11.13 H new ATOM 0 HH12 ARG A 14 7.849 -3.717 12.740 1.00 11.13 H new ATOM 0 HH21 ARG A 14 5.772 -2.981 15.492 1.00 73.32 H new ATOM 0 HH22 ARG A 14 7.295 -3.703 14.963 1.00 73.32 H new ATOM 225 N ASP A 15 0.169 -1.318 12.088 1.00 40.12 N ATOM 226 CA ASP A 15 -0.905 -2.100 12.690 1.00 43.41 C ATOM 227 C ASP A 15 -2.270 -1.543 12.296 1.00 63.44 C ATOM 228 O ASP A 15 -3.193 -2.296 11.989 1.00 22.34 O ATOM 229 CB ASP A 15 -0.766 -2.108 14.213 1.00 4.22 C ATOM 230 CG ASP A 15 -1.244 -3.407 14.831 1.00 10.20 C ATOM 231 OD1 ASP A 15 -0.428 -4.346 14.946 1.00 64.11 O ATOM 232 OD2 ASP A 15 -2.433 -3.485 15.200 1.00 14.55 O ATOM 0 H ASP A 15 0.833 -0.927 12.757 1.00 40.12 H new ATOM 0 HA ASP A 15 -0.828 -3.122 12.319 1.00 43.41 H new ATOM 0 HB2 ASP A 15 0.278 -1.944 14.481 1.00 4.22 H new ATOM 0 HB3 ASP A 15 -1.336 -1.279 14.631 1.00 4.22 H new ATOM 236 N GLN A 16 -2.388 -0.219 12.305 1.00 3.53 N ATOM 237 CA GLN A 16 -3.641 0.438 11.951 1.00 70.21 C ATOM 238 C GLN A 16 -4.015 0.148 10.501 1.00 71.01 C ATOM 239 O GLN A 16 -5.180 -0.096 10.187 1.00 4.11 O ATOM 240 CB GLN A 16 -3.529 1.947 12.168 1.00 44.53 C ATOM 241 CG GLN A 16 -3.777 2.375 13.606 1.00 63.23 C ATOM 242 CD GLN A 16 -5.225 2.208 14.023 1.00 53.12 C ATOM 243 OE1 GLN A 16 -6.121 2.849 13.471 1.00 25.43 O ATOM 244 NE2 GLN A 16 -5.463 1.343 15.003 1.00 53.31 N ATOM 0 H GLN A 16 -1.632 0.419 12.553 1.00 3.53 H new ATOM 0 HA GLN A 16 -4.425 0.043 12.597 1.00 70.21 H new ATOM 0 HB2 GLN A 16 -2.535 2.276 11.866 1.00 44.53 H new ATOM 0 HB3 GLN A 16 -4.243 2.453 11.519 1.00 44.53 H new ATOM 0 HG2 GLN A 16 -3.142 1.789 14.270 1.00 63.23 H new ATOM 0 HG3 GLN A 16 -3.486 3.419 13.726 1.00 63.23 H new ATOM 0 HE21 GLN A 16 -4.691 0.833 15.432 1.00 53.31 H new ATOM 0 HE22 GLN A 16 -6.418 1.189 15.326 1.00 53.31 H new ATOM 251 N ALA A 17 -3.021 0.178 9.620 1.00 23.13 N ATOM 252 CA ALA A 17 -3.245 -0.084 8.204 1.00 12.31 C ATOM 253 C ALA A 17 -3.726 -1.513 7.979 1.00 31.42 C ATOM 254 O ALA A 17 -4.618 -1.757 7.167 1.00 31.30 O ATOM 255 CB ALA A 17 -1.973 0.179 7.411 1.00 14.23 C ATOM 0 H ALA A 17 -2.051 0.381 9.862 1.00 23.13 H new ATOM 0 HA ALA A 17 -4.025 0.592 7.854 1.00 12.31 H new ATOM 0 HB1 ALA A 17 -2.155 -0.021 6.355 1.00 14.23 H new ATOM 0 HB2 ALA A 17 -1.674 1.220 7.537 1.00 14.23 H new ATOM 0 HB3 ALA A 17 -1.178 -0.473 7.772 1.00 14.23 H new ATOM 261 N ILE A 18 -3.129 -2.454 8.703 1.00 64.20 N ATOM 262 CA ILE A 18 -3.496 -3.860 8.582 1.00 63.24 C ATOM 263 C ILE A 18 -4.926 -4.096 9.057 1.00 75.42 C ATOM 264 O ILE A 18 -5.682 -4.842 8.433 1.00 44.15 O ATOM 265 CB ILE A 18 -2.544 -4.762 9.388 1.00 1.41 C ATOM 266 CG1 ILE A 18 -1.102 -4.574 8.911 1.00 31.25 C ATOM 267 CG2 ILE A 18 -2.963 -6.219 9.265 1.00 72.15 C ATOM 268 CD1 ILE A 18 -0.069 -5.060 9.904 1.00 3.42 C ATOM 0 H ILE A 18 -2.389 -2.268 9.380 1.00 64.20 H new ATOM 0 HA ILE A 18 -3.418 -4.117 7.526 1.00 63.24 H new ATOM 0 HB ILE A 18 -2.599 -4.476 10.438 1.00 1.41 H new ATOM 0 HG12 ILE A 18 -0.967 -5.106 7.969 1.00 31.25 H new ATOM 0 HG13 ILE A 18 -0.930 -3.517 8.708 1.00 31.25 H new ATOM 0 HG21 ILE A 18 -2.280 -6.844 9.840 1.00 72.15 H new ATOM 0 HG22 ILE A 18 -3.976 -6.340 9.649 1.00 72.15 H new ATOM 0 HG23 ILE A 18 -2.934 -6.519 8.217 1.00 72.15 H new ATOM 0 HD11 ILE A 18 0.930 -4.896 9.500 1.00 3.42 H new ATOM 0 HD12 ILE A 18 -0.177 -4.511 10.839 1.00 3.42 H new ATOM 0 HD13 ILE A 18 -0.215 -6.124 10.089 1.00 3.42 H new ATOM 279 N ALA A 19 -5.290 -3.454 10.161 1.00 15.13 N ATOM 280 CA ALA A 19 -6.631 -3.592 10.717 1.00 3.21 C ATOM 281 C ALA A 19 -7.674 -2.969 9.795 1.00 51.01 C ATOM 282 O ALA A 19 -8.791 -3.475 9.674 1.00 75.15 O ATOM 283 CB ALA A 19 -6.698 -2.957 12.098 1.00 70.21 C ATOM 0 H ALA A 19 -4.676 -2.833 10.688 1.00 15.13 H new ATOM 0 HA ALA A 19 -6.852 -4.655 10.807 1.00 3.21 H new ATOM 0 HB1 ALA A 19 -7.705 -3.068 12.501 1.00 70.21 H new ATOM 0 HB2 ALA A 19 -5.986 -3.450 12.760 1.00 70.21 H new ATOM 0 HB3 ALA A 19 -6.451 -1.898 12.024 1.00 70.21 H new ATOM 289 N LEU A 20 -7.304 -1.869 9.149 1.00 2.14 N ATOM 290 CA LEU A 20 -8.208 -1.176 8.237 1.00 10.54 C ATOM 291 C LEU A 20 -8.392 -1.967 6.946 1.00 42.01 C ATOM 292 O LEU A 20 -9.454 -1.922 6.324 1.00 62.24 O ATOM 293 CB LEU A 20 -7.673 0.222 7.922 1.00 50.30 C ATOM 294 CG LEU A 20 -8.719 1.331 7.808 1.00 12.43 C ATOM 295 CD1 LEU A 20 -9.412 1.551 9.144 1.00 23.24 C ATOM 296 CD2 LEU A 20 -8.077 2.621 7.320 1.00 74.14 C ATOM 0 H LEU A 20 -6.384 -1.437 9.240 1.00 2.14 H new ATOM 0 HA LEU A 20 -9.178 -1.085 8.726 1.00 10.54 H new ATOM 0 HB2 LEU A 20 -6.961 0.500 8.699 1.00 50.30 H new ATOM 0 HB3 LEU A 20 -7.119 0.175 6.984 1.00 50.30 H new ATOM 0 HG LEU A 20 -9.469 1.023 7.079 1.00 12.43 H new ATOM 0 HD11 LEU A 20 -10.153 2.344 9.043 1.00 23.24 H new ATOM 0 HD12 LEU A 20 -9.906 0.630 9.454 1.00 23.24 H new ATOM 0 HD13 LEU A 20 -8.674 1.837 9.894 1.00 23.24 H new ATOM 0 HD21 LEU A 20 -8.836 3.399 7.245 1.00 74.14 H new ATOM 0 HD22 LEU A 20 -7.306 2.933 8.025 1.00 74.14 H new ATOM 0 HD23 LEU A 20 -7.628 2.456 6.341 1.00 74.14 H new ATOM 307 N LEU A 21 -7.351 -2.692 6.550 1.00 40.23 N ATOM 308 CA LEU A 21 -7.398 -3.496 5.333 1.00 44.44 C ATOM 309 C LEU A 21 -8.200 -4.773 5.555 1.00 52.22 C ATOM 310 O LEU A 21 -8.975 -5.191 4.694 1.00 45.32 O ATOM 311 CB LEU A 21 -5.981 -3.842 4.874 1.00 74.32 C ATOM 312 CG LEU A 21 -5.136 -2.675 4.364 1.00 24.31 C ATOM 313 CD1 LEU A 21 -3.654 -2.968 4.547 1.00 52.14 C ATOM 314 CD2 LEU A 21 -5.448 -2.389 2.903 1.00 70.51 C ATOM 0 H LEU A 21 -6.465 -2.740 7.053 1.00 40.23 H new ATOM 0 HA LEU A 21 -7.892 -2.910 4.558 1.00 44.44 H new ATOM 0 HB2 LEU A 21 -5.455 -4.308 5.707 1.00 74.32 H new ATOM 0 HB3 LEU A 21 -6.049 -4.588 4.082 1.00 74.32 H new ATOM 0 HG LEU A 21 -5.385 -1.789 4.948 1.00 24.31 H new ATOM 0 HD11 LEU A 21 -3.068 -2.126 4.178 1.00 52.14 H new ATOM 0 HD12 LEU A 21 -3.442 -3.122 5.605 1.00 52.14 H new ATOM 0 HD13 LEU A 21 -3.389 -3.866 3.989 1.00 52.14 H new ATOM 0 HD21 LEU A 21 -4.837 -1.555 2.557 1.00 70.51 H new ATOM 0 HD22 LEU A 21 -5.228 -3.273 2.304 1.00 70.51 H new ATOM 0 HD23 LEU A 21 -6.503 -2.134 2.799 1.00 70.51 H new ATOM 325 N LYS A 22 -8.011 -5.390 6.717 1.00 74.40 N ATOM 326 CA LYS A 22 -8.719 -6.619 7.055 1.00 75.11 C ATOM 327 C LYS A 22 -10.183 -6.333 7.378 1.00 42.21 C ATOM 328 O LYS A 22 -10.981 -7.253 7.553 1.00 62.03 O ATOM 329 CB LYS A 22 -8.049 -7.308 8.245 1.00 4.01 C ATOM 330 CG LYS A 22 -8.346 -6.644 9.579 1.00 53.51 C ATOM 331 CD LYS A 22 -7.640 -7.352 10.724 1.00 54.31 C ATOM 332 CE LYS A 22 -8.614 -8.168 11.560 1.00 4.13 C ATOM 333 NZ LYS A 22 -9.176 -7.375 12.688 1.00 52.13 N ATOM 0 H LYS A 22 -7.373 -5.059 7.441 1.00 74.40 H new ATOM 0 HA LYS A 22 -8.678 -7.281 6.190 1.00 75.11 H new ATOM 0 HB2 LYS A 22 -8.377 -8.347 8.285 1.00 4.01 H new ATOM 0 HB3 LYS A 22 -6.971 -7.320 8.087 1.00 4.01 H new ATOM 0 HG2 LYS A 22 -8.031 -5.601 9.545 1.00 53.51 H new ATOM 0 HG3 LYS A 22 -9.421 -6.647 9.756 1.00 53.51 H new ATOM 0 HD2 LYS A 22 -6.864 -8.006 10.326 1.00 54.31 H new ATOM 0 HD3 LYS A 22 -7.143 -6.617 11.357 1.00 54.31 H new ATOM 0 HE2 LYS A 22 -9.426 -8.524 10.927 1.00 4.13 H new ATOM 0 HE3 LYS A 22 -8.106 -9.049 11.953 1.00 4.13 H new ATOM 0 HZ1 LYS A 22 -9.835 -7.966 13.234 1.00 52.13 H new ATOM 0 HZ2 LYS A 22 -8.403 -7.056 13.307 1.00 52.13 H new ATOM 0 HZ3 LYS A 22 -9.683 -6.548 12.312 1.00 52.13 H new ATOM 343 N ASP A 23 -10.526 -5.052 7.456 1.00 54.32 N ATOM 344 CA ASP A 23 -11.894 -4.645 7.756 1.00 42.21 C ATOM 345 C ASP A 23 -12.561 -4.033 6.528 1.00 72.01 C ATOM 346 O ASP A 23 -13.715 -3.608 6.580 1.00 2.42 O ATOM 347 CB ASP A 23 -11.909 -3.643 8.912 1.00 74.01 C ATOM 348 CG ASP A 23 -13.212 -3.671 9.686 1.00 72.23 C ATOM 349 OD1 ASP A 23 -13.335 -4.501 10.610 1.00 20.14 O ATOM 350 OD2 ASP A 23 -14.110 -2.863 9.366 1.00 3.10 O ATOM 0 H ASP A 23 -9.876 -4.278 7.316 1.00 54.32 H new ATOM 0 HA ASP A 23 -12.455 -5.533 8.047 1.00 42.21 H new ATOM 0 HB2 ASP A 23 -11.083 -3.861 9.589 1.00 74.01 H new ATOM 0 HB3 ASP A 23 -11.744 -2.639 8.521 1.00 74.01 H new ATOM 354 N LYS A 24 -11.826 -3.990 5.421 1.00 4.51 N ATOM 355 CA LYS A 24 -12.344 -3.430 4.179 1.00 63.21 C ATOM 356 C LYS A 24 -12.297 -4.462 3.056 1.00 51.42 C ATOM 357 O LYS A 24 -11.796 -5.571 3.241 1.00 62.33 O ATOM 358 CB LYS A 24 -11.541 -2.190 3.780 1.00 60.14 C ATOM 359 CG LYS A 24 -12.291 -0.886 3.987 1.00 5.44 C ATOM 360 CD LYS A 24 -11.741 -0.109 5.172 1.00 62.24 C ATOM 361 CE LYS A 24 -12.417 -0.520 6.471 1.00 3.10 C ATOM 362 NZ LYS A 24 -13.422 0.484 6.916 1.00 11.12 N ATOM 0 H LYS A 24 -10.869 -4.337 5.360 1.00 4.51 H new ATOM 0 HA LYS A 24 -13.383 -3.145 4.344 1.00 63.21 H new ATOM 0 HB2 LYS A 24 -10.618 -2.164 4.359 1.00 60.14 H new ATOM 0 HB3 LYS A 24 -11.257 -2.273 2.731 1.00 60.14 H new ATOM 0 HG2 LYS A 24 -12.219 -0.277 3.086 1.00 5.44 H new ATOM 0 HG3 LYS A 24 -13.349 -1.095 4.147 1.00 5.44 H new ATOM 0 HD2 LYS A 24 -10.667 -0.276 5.251 1.00 62.24 H new ATOM 0 HD3 LYS A 24 -11.886 0.959 5.007 1.00 62.24 H new ATOM 0 HE2 LYS A 24 -12.904 -1.486 6.337 1.00 3.10 H new ATOM 0 HE3 LYS A 24 -11.663 -0.648 7.248 1.00 3.10 H new ATOM 0 HZ1 LYS A 24 -13.860 0.167 7.804 1.00 11.12 H new ATOM 0 HZ2 LYS A 24 -12.954 1.400 7.069 1.00 11.12 H new ATOM 0 HZ3 LYS A 24 -14.156 0.588 6.186 1.00 11.12 H new ATOM 372 N ASP A 25 -12.823 -4.089 1.894 1.00 23.13 N ATOM 373 CA ASP A 25 -12.838 -4.982 0.741 1.00 52.51 C ATOM 374 C ASP A 25 -11.426 -5.215 0.215 1.00 11.24 C ATOM 375 O ASP A 25 -10.521 -4.404 0.414 1.00 44.04 O ATOM 376 CB ASP A 25 -13.719 -4.403 -0.366 1.00 53.32 C ATOM 377 CG ASP A 25 -15.198 -4.599 -0.093 1.00 10.02 C ATOM 378 OD1 ASP A 25 -15.577 -5.701 0.357 1.00 44.02 O ATOM 379 OD2 ASP A 25 -15.976 -3.651 -0.329 1.00 20.35 O ATOM 0 H ASP A 25 -13.244 -3.175 1.726 1.00 23.13 H new ATOM 0 HA ASP A 25 -13.249 -5.940 1.059 1.00 52.51 H new ATOM 0 HB2 ASP A 25 -13.510 -3.338 -0.473 1.00 53.32 H new ATOM 0 HB3 ASP A 25 -13.462 -4.875 -1.314 1.00 53.32 H new ATOM 383 N PRO A 26 -11.230 -6.350 -0.471 1.00 23.41 N ATOM 384 CA PRO A 26 -9.929 -6.717 -1.039 1.00 73.03 C ATOM 385 C PRO A 26 -9.536 -5.825 -2.212 1.00 75.12 C ATOM 386 O PRO A 26 -10.395 -5.283 -2.907 1.00 4.41 O ATOM 387 CB PRO A 26 -10.142 -8.158 -1.511 1.00 74.20 C ATOM 388 CG PRO A 26 -11.607 -8.264 -1.757 1.00 50.41 C ATOM 389 CD PRO A 26 -12.263 -7.364 -0.746 1.00 43.25 C ATOM 0 HA PRO A 26 -9.122 -6.606 -0.315 1.00 73.03 H new ATOM 0 HB2 PRO A 26 -9.573 -8.366 -2.417 1.00 74.20 H new ATOM 0 HB3 PRO A 26 -9.814 -8.874 -0.757 1.00 74.20 H new ATOM 0 HG2 PRO A 26 -11.855 -7.956 -2.773 1.00 50.41 H new ATOM 0 HG3 PRO A 26 -11.948 -9.293 -1.643 1.00 50.41 H new ATOM 0 HD2 PRO A 26 -13.174 -6.913 -1.140 1.00 43.25 H new ATOM 0 HD3 PRO A 26 -12.542 -7.909 0.156 1.00 43.25 H new ATOM 394 N GLY A 27 -8.232 -5.679 -2.427 1.00 50.54 N ATOM 395 CA GLY A 27 -7.750 -4.851 -3.517 1.00 62.20 C ATOM 396 C GLY A 27 -7.543 -3.408 -3.103 1.00 44.42 C ATOM 397 O GLY A 27 -6.894 -2.638 -3.809 1.00 72.34 O ATOM 0 H GLY A 27 -7.502 -6.119 -1.867 1.00 50.54 H new ATOM 0 HA2 GLY A 27 -6.809 -5.257 -3.889 1.00 62.20 H new ATOM 0 HA3 GLY A 27 -8.462 -4.890 -4.341 1.00 62.20 H new ATOM 401 N ALA A 28 -8.100 -3.038 -1.953 1.00 20.13 N ATOM 402 CA ALA A 28 -7.973 -1.678 -1.445 1.00 33.04 C ATOM 403 C ALA A 28 -6.575 -1.427 -0.889 1.00 74.00 C ATOM 404 O ALA A 28 -5.918 -2.345 -0.396 1.00 32.11 O ATOM 405 CB ALA A 28 -9.024 -1.414 -0.376 1.00 61.12 C ATOM 0 H ALA A 28 -8.643 -3.662 -1.356 1.00 20.13 H new ATOM 0 HA ALA A 28 -8.134 -0.990 -2.275 1.00 33.04 H new ATOM 0 HB1 ALA A 28 -8.918 -0.395 -0.005 1.00 61.12 H new ATOM 0 HB2 ALA A 28 -10.018 -1.543 -0.804 1.00 61.12 H new ATOM 0 HB3 ALA A 28 -8.890 -2.115 0.447 1.00 61.12 H new ATOM 411 N PHE A 29 -6.126 -0.180 -0.972 1.00 2.51 N ATOM 412 CA PHE A 29 -4.805 0.191 -0.478 1.00 52.34 C ATOM 413 C PHE A 29 -4.867 1.492 0.318 1.00 13.42 C ATOM 414 O PHE A 29 -5.884 2.186 0.315 1.00 52.35 O ATOM 415 CB PHE A 29 -3.825 0.341 -1.644 1.00 71.12 C ATOM 416 CG PHE A 29 -4.122 1.518 -2.529 1.00 11.03 C ATOM 417 CD1 PHE A 29 -5.246 1.526 -3.339 1.00 64.54 C ATOM 418 CD2 PHE A 29 -3.276 2.615 -2.551 1.00 32.20 C ATOM 419 CE1 PHE A 29 -5.521 2.607 -4.154 1.00 54.35 C ATOM 420 CE2 PHE A 29 -3.547 3.699 -3.364 1.00 62.24 C ATOM 421 CZ PHE A 29 -4.671 3.695 -4.168 1.00 4.20 C ATOM 0 H PHE A 29 -6.657 0.591 -1.377 1.00 2.51 H new ATOM 0 HA PHE A 29 -4.456 -0.603 0.182 1.00 52.34 H new ATOM 0 HB2 PHE A 29 -2.814 0.440 -1.248 1.00 71.12 H new ATOM 0 HB3 PHE A 29 -3.845 -0.569 -2.244 1.00 71.12 H new ATOM 0 HD1 PHE A 29 -5.915 0.678 -3.333 1.00 64.54 H new ATOM 0 HD2 PHE A 29 -2.395 2.623 -1.926 1.00 32.20 H new ATOM 0 HE1 PHE A 29 -6.401 2.601 -4.780 1.00 54.35 H new ATOM 0 HE2 PHE A 29 -2.881 4.549 -3.371 1.00 62.24 H new ATOM 0 HZ PHE A 29 -4.884 4.540 -4.805 1.00 4.20 H new ATOM 430 N LEU A 30 -3.774 1.813 1.000 1.00 24.12 N ATOM 431 CA LEU A 30 -3.702 3.029 1.803 1.00 52.14 C ATOM 432 C LEU A 30 -2.272 3.556 1.869 1.00 33.43 C ATOM 433 O LEU A 30 -1.318 2.821 1.610 1.00 2.31 O ATOM 434 CB LEU A 30 -4.226 2.763 3.215 1.00 3.34 C ATOM 435 CG LEU A 30 -3.289 1.990 4.144 1.00 63.15 C ATOM 436 CD1 LEU A 30 -2.479 2.950 5.003 1.00 32.03 C ATOM 437 CD2 LEU A 30 -4.079 1.027 5.017 1.00 41.32 C ATOM 0 H LEU A 30 -2.925 1.248 1.013 1.00 24.12 H new ATOM 0 HA LEU A 30 -4.326 3.786 1.327 1.00 52.14 H new ATOM 0 HB2 LEU A 30 -4.459 3.721 3.681 1.00 3.34 H new ATOM 0 HB3 LEU A 30 -5.163 2.211 3.135 1.00 3.34 H new ATOM 0 HG LEU A 30 -2.598 1.410 3.532 1.00 63.15 H new ATOM 0 HD11 LEU A 30 -1.818 2.383 5.658 1.00 32.03 H new ATOM 0 HD12 LEU A 30 -1.884 3.599 4.361 1.00 32.03 H new ATOM 0 HD13 LEU A 30 -3.154 3.557 5.606 1.00 32.03 H new ATOM 0 HD21 LEU A 30 -3.396 0.485 5.672 1.00 41.32 H new ATOM 0 HD22 LEU A 30 -4.794 1.586 5.621 1.00 41.32 H new ATOM 0 HD23 LEU A 30 -4.614 0.318 4.385 1.00 41.32 H new ATOM 448 N ILE A 31 -2.132 4.829 2.220 1.00 60.00 N ATOM 449 CA ILE A 31 -0.817 5.452 2.323 1.00 11.30 C ATOM 450 C ILE A 31 -0.591 6.030 3.716 1.00 54.10 C ATOM 451 O ILE A 31 -1.501 6.603 4.317 1.00 33.55 O ATOM 452 CB ILE A 31 -0.641 6.571 1.280 1.00 2.11 C ATOM 453 CG1 ILE A 31 -0.826 6.014 -0.133 1.00 20.32 C ATOM 454 CG2 ILE A 31 0.728 7.219 1.425 1.00 32.44 C ATOM 455 CD1 ILE A 31 -1.005 7.085 -1.186 1.00 74.21 C ATOM 0 H ILE A 31 -2.912 5.450 2.438 1.00 60.00 H new ATOM 0 HA ILE A 31 -0.081 4.671 2.132 1.00 11.30 H new ATOM 0 HB ILE A 31 -1.402 7.332 1.453 1.00 2.11 H new ATOM 0 HG12 ILE A 31 0.040 5.404 -0.390 1.00 20.32 H new ATOM 0 HG13 ILE A 31 -1.695 5.356 -0.144 1.00 20.32 H new ATOM 0 HG21 ILE A 31 0.838 8.008 0.681 1.00 32.44 H new ATOM 0 HG22 ILE A 31 0.825 7.646 2.423 1.00 32.44 H new ATOM 0 HG23 ILE A 31 1.504 6.468 1.275 1.00 32.44 H new ATOM 0 HD11 ILE A 31 -1.131 6.618 -2.163 1.00 74.21 H new ATOM 0 HD12 ILE A 31 -1.887 7.681 -0.953 1.00 74.21 H new ATOM 0 HD13 ILE A 31 -0.126 7.729 -1.203 1.00 74.21 H new ATOM 466 N ARG A 32 0.627 5.878 4.223 1.00 42.13 N ATOM 467 CA ARG A 32 0.973 6.386 5.546 1.00 32.30 C ATOM 468 C ARG A 32 2.404 6.918 5.566 1.00 0.32 C ATOM 469 O ARG A 32 3.193 6.637 4.664 1.00 45.13 O ATOM 470 CB ARG A 32 0.811 5.286 6.597 1.00 72.15 C ATOM 471 CG ARG A 32 1.910 4.237 6.554 1.00 12.15 C ATOM 472 CD ARG A 32 1.335 2.832 6.460 1.00 4.41 C ATOM 473 NE ARG A 32 2.315 1.872 5.960 1.00 12.22 N ATOM 474 CZ ARG A 32 3.272 1.340 6.711 1.00 20.21 C ATOM 475 NH1 ARG A 32 3.379 1.673 7.990 1.00 12.32 N ATOM 476 NH2 ARG A 32 4.127 0.473 6.183 1.00 11.31 N ATOM 0 H ARG A 32 1.391 5.407 3.739 1.00 42.13 H new ATOM 0 HA ARG A 32 0.295 7.206 5.782 1.00 32.30 H new ATOM 0 HB2 ARG A 32 0.793 5.741 7.587 1.00 72.15 H new ATOM 0 HB3 ARG A 32 -0.152 4.797 6.453 1.00 72.15 H new ATOM 0 HG2 ARG A 32 2.559 4.424 5.699 1.00 12.15 H new ATOM 0 HG3 ARG A 32 2.528 4.319 7.448 1.00 12.15 H new ATOM 0 HD2 ARG A 32 0.987 2.516 7.444 1.00 4.41 H new ATOM 0 HD3 ARG A 32 0.466 2.839 5.802 1.00 4.41 H new ATOM 0 HE ARG A 32 2.261 1.595 4.980 1.00 12.22 H new ATOM 0 HH11 ARG A 32 2.725 2.340 8.400 1.00 12.32 H new ATOM 0 HH12 ARG A 32 4.115 1.262 8.564 1.00 12.32 H new ATOM 0 HH21 ARG A 32 4.049 0.215 5.199 1.00 11.31 H new ATOM 0 HH22 ARG A 32 4.862 0.065 6.761 1.00 11.31 H new ATOM 487 N ASP A 33 2.729 7.685 6.600 1.00 50.41 N ATOM 488 CA ASP A 33 4.064 8.256 6.739 1.00 11.44 C ATOM 489 C ASP A 33 5.095 7.165 7.013 1.00 74.44 C ATOM 490 O ASP A 33 5.008 6.451 8.011 1.00 3.53 O ATOM 491 CB ASP A 33 4.085 9.289 7.867 1.00 55.04 C ATOM 492 CG ASP A 33 5.201 10.301 7.703 1.00 4.22 C ATOM 493 OD1 ASP A 33 6.232 9.955 7.090 1.00 21.34 O ATOM 494 OD2 ASP A 33 5.043 11.441 8.188 1.00 24.11 O ATOM 0 H ASP A 33 2.087 7.926 7.355 1.00 50.41 H new ATOM 0 HA ASP A 33 4.322 8.748 5.801 1.00 11.44 H new ATOM 0 HB2 ASP A 33 3.128 9.810 7.897 1.00 55.04 H new ATOM 0 HB3 ASP A 33 4.200 8.777 8.823 1.00 55.04 H new ATOM 498 N SER A 34 6.070 7.043 6.118 1.00 75.01 N ATOM 499 CA SER A 34 7.115 6.036 6.259 1.00 4.23 C ATOM 500 C SER A 34 8.174 6.489 7.261 1.00 31.10 C ATOM 501 O SER A 34 9.055 7.285 6.933 1.00 53.11 O ATOM 502 CB SER A 34 7.767 5.753 4.905 1.00 20.34 C ATOM 503 OG SER A 34 8.394 4.481 4.897 1.00 40.43 O ATOM 0 H SER A 34 6.158 7.629 5.288 1.00 75.01 H new ATOM 0 HA SER A 34 6.655 5.121 6.631 1.00 4.23 H new ATOM 0 HB2 SER A 34 7.013 5.795 4.119 1.00 20.34 H new ATOM 0 HB3 SER A 34 8.503 6.526 4.683 1.00 20.34 H new ATOM 0 HG SER A 34 8.802 4.323 4.020 1.00 40.43 H new ATOM 508 N HIS A 35 8.081 5.976 8.484 1.00 51.24 N ATOM 509 CA HIS A 35 9.030 6.327 9.534 1.00 23.03 C ATOM 510 C HIS A 35 10.409 5.746 9.236 1.00 1.22 C ATOM 511 O HIS A 35 11.396 6.105 9.878 1.00 35.11 O ATOM 512 CB HIS A 35 8.533 5.823 10.889 1.00 50.14 C ATOM 513 CG HIS A 35 8.838 6.753 12.023 1.00 14.01 C ATOM 514 ND1 HIS A 35 8.176 6.708 13.231 1.00 0.43 N ATOM 515 CD2 HIS A 35 9.741 7.756 12.127 1.00 11.53 C ATOM 516 CE1 HIS A 35 8.658 7.644 14.030 1.00 53.11 C ATOM 517 NE2 HIS A 35 9.610 8.293 13.384 1.00 54.43 N ATOM 0 H HIS A 35 7.358 5.316 8.772 1.00 51.24 H new ATOM 0 HA HIS A 35 9.112 7.413 9.567 1.00 23.03 H new ATOM 0 HB2 HIS A 35 7.455 5.668 10.837 1.00 50.14 H new ATOM 0 HB3 HIS A 35 8.985 4.853 11.094 1.00 50.14 H new ATOM 0 HD2 HIS A 35 10.435 8.075 11.364 1.00 11.53 H new ATOM 0 HE1 HIS A 35 8.329 7.844 15.039 1.00 53.11 H new ATOM 0 HE2 HIS A 35 10.159 9.067 13.758 1.00 54.43 H new ATOM 524 N SER A 36 10.468 4.847 8.259 1.00 21.33 N ATOM 525 CA SER A 36 11.725 4.212 7.880 1.00 42.54 C ATOM 526 C SER A 36 12.803 5.259 7.615 1.00 41.12 C ATOM 527 O SER A 36 13.713 5.449 8.423 1.00 32.41 O ATOM 528 CB SER A 36 11.527 3.342 6.638 1.00 54.22 C ATOM 529 OG SER A 36 10.867 4.061 5.610 1.00 2.21 O ATOM 0 H SER A 36 9.661 4.542 7.716 1.00 21.33 H new ATOM 0 HA SER A 36 12.050 3.582 8.708 1.00 42.54 H new ATOM 0 HB2 SER A 36 12.494 2.992 6.278 1.00 54.22 H new ATOM 0 HB3 SER A 36 10.945 2.458 6.899 1.00 54.22 H new ATOM 0 HG SER A 36 9.898 3.953 5.705 1.00 2.21 H new ATOM 534 N PHE A 37 12.695 5.936 6.476 1.00 32.00 N ATOM 535 CA PHE A 37 13.660 6.962 6.102 1.00 45.14 C ATOM 536 C PHE A 37 12.962 8.157 5.459 1.00 40.22 C ATOM 537 O PHE A 37 11.837 8.042 4.972 1.00 44.42 O ATOM 538 CB PHE A 37 14.702 6.387 5.140 1.00 4.12 C ATOM 539 CG PHE A 37 15.980 5.979 5.815 1.00 62.03 C ATOM 540 CD1 PHE A 37 16.091 4.740 6.425 1.00 3.14 C ATOM 541 CD2 PHE A 37 17.071 6.833 5.837 1.00 41.02 C ATOM 542 CE1 PHE A 37 17.266 4.362 7.048 1.00 52.04 C ATOM 543 CE2 PHE A 37 18.248 6.461 6.458 1.00 21.20 C ATOM 544 CZ PHE A 37 18.346 5.223 7.063 1.00 21.31 C ATOM 0 H PHE A 37 11.948 5.792 5.796 1.00 32.00 H new ATOM 0 HA PHE A 37 14.161 7.301 7.009 1.00 45.14 H new ATOM 0 HB2 PHE A 37 14.277 5.522 4.631 1.00 4.12 H new ATOM 0 HB3 PHE A 37 14.926 7.129 4.374 1.00 4.12 H new ATOM 0 HD1 PHE A 37 15.250 4.062 6.414 1.00 3.14 H new ATOM 0 HD2 PHE A 37 17.001 7.801 5.363 1.00 41.02 H new ATOM 0 HE1 PHE A 37 17.339 3.395 7.522 1.00 52.04 H new ATOM 0 HE2 PHE A 37 19.090 7.137 6.470 1.00 21.20 H new ATOM 0 HZ PHE A 37 19.266 4.929 7.547 1.00 21.31 H new ATOM 553 N GLN A 38 13.638 9.302 5.461 1.00 53.41 N ATOM 554 CA GLN A 38 13.081 10.517 4.879 1.00 45.13 C ATOM 555 C GLN A 38 12.804 10.331 3.391 1.00 31.22 C ATOM 556 O GLN A 38 13.534 9.625 2.697 1.00 14.24 O ATOM 557 CB GLN A 38 14.038 11.692 5.089 1.00 62.43 C ATOM 558 CG GLN A 38 15.312 11.593 4.265 1.00 71.54 C ATOM 559 CD GLN A 38 16.545 12.012 5.042 1.00 14.30 C ATOM 560 OE1 GLN A 38 17.232 12.964 4.672 1.00 3.52 O ATOM 561 NE2 GLN A 38 16.831 11.300 6.126 1.00 41.23 N ATOM 0 H GLN A 38 14.571 9.413 5.859 1.00 53.41 H new ATOM 0 HA GLN A 38 12.137 10.731 5.381 1.00 45.13 H new ATOM 0 HB2 GLN A 38 13.523 12.619 4.837 1.00 62.43 H new ATOM 0 HB3 GLN A 38 14.302 11.751 6.145 1.00 62.43 H new ATOM 0 HG2 GLN A 38 15.437 10.567 3.919 1.00 71.54 H new ATOM 0 HG3 GLN A 38 15.216 12.219 3.378 1.00 71.54 H new ATOM 0 HE21 GLN A 38 16.233 10.519 6.395 1.00 41.23 H new ATOM 0 HE22 GLN A 38 17.648 11.535 6.689 1.00 41.23 H new ATOM 568 N GLY A 39 11.742 10.970 2.907 1.00 32.44 N ATOM 569 CA GLY A 39 11.388 10.861 1.505 1.00 54.24 C ATOM 570 C GLY A 39 10.848 9.489 1.147 1.00 41.50 C ATOM 571 O GLY A 39 11.017 9.023 0.022 1.00 23.04 O ATOM 0 H GLY A 39 11.122 11.560 3.461 1.00 32.44 H new ATOM 0 HA2 GLY A 39 10.641 11.617 1.262 1.00 54.24 H new ATOM 0 HA3 GLY A 39 12.266 11.073 0.894 1.00 54.24 H new ATOM 575 N ALA A 40 10.198 8.843 2.110 1.00 33.22 N ATOM 576 CA ALA A 40 9.633 7.517 1.891 1.00 51.40 C ATOM 577 C ALA A 40 8.167 7.470 2.309 1.00 74.50 C ATOM 578 O ALA A 40 7.760 8.139 3.259 1.00 1.14 O ATOM 579 CB ALA A 40 10.434 6.469 2.650 1.00 60.12 C ATOM 0 H ALA A 40 10.050 9.216 3.048 1.00 33.22 H new ATOM 0 HA ALA A 40 9.688 7.297 0.825 1.00 51.40 H new ATOM 0 HB1 ALA A 40 10.000 5.484 2.477 1.00 60.12 H new ATOM 0 HB2 ALA A 40 11.467 6.477 2.301 1.00 60.12 H new ATOM 0 HB3 ALA A 40 10.409 6.694 3.716 1.00 60.12 H new ATOM 585 N TYR A 41 7.377 6.677 1.593 1.00 63.30 N ATOM 586 CA TYR A 41 5.956 6.546 1.887 1.00 15.22 C ATOM 587 C TYR A 41 5.563 5.078 2.031 1.00 42.11 C ATOM 588 O TYR A 41 5.923 4.243 1.203 1.00 3.30 O ATOM 589 CB TYR A 41 5.122 7.202 0.785 1.00 2.13 C ATOM 590 CG TYR A 41 4.994 8.701 0.936 1.00 24.12 C ATOM 591 CD1 TYR A 41 5.986 9.553 0.465 1.00 4.24 C ATOM 592 CD2 TYR A 41 3.882 9.266 1.549 1.00 20.41 C ATOM 593 CE1 TYR A 41 5.874 10.924 0.601 1.00 73.22 C ATOM 594 CE2 TYR A 41 3.761 10.635 1.687 1.00 33.34 C ATOM 595 CZ TYR A 41 4.759 11.459 1.212 1.00 2.22 C ATOM 596 OH TYR A 41 4.643 12.824 1.349 1.00 14.42 O ATOM 0 H TYR A 41 7.698 6.115 0.804 1.00 63.30 H new ATOM 0 HA TYR A 41 5.759 7.052 2.832 1.00 15.22 H new ATOM 0 HB2 TYR A 41 5.573 6.980 -0.182 1.00 2.13 H new ATOM 0 HB3 TYR A 41 4.126 6.759 0.782 1.00 2.13 H new ATOM 0 HD1 TYR A 41 6.859 9.137 -0.015 1.00 4.24 H new ATOM 0 HD2 TYR A 41 3.099 8.624 1.924 1.00 20.41 H new ATOM 0 HE1 TYR A 41 6.655 11.572 0.231 1.00 73.22 H new ATOM 0 HE2 TYR A 41 2.889 11.058 2.164 1.00 33.34 H new ATOM 0 HH TYR A 41 3.799 13.037 1.799 1.00 14.42 H new ATOM 605 N GLY A 42 4.819 4.773 3.091 1.00 63.20 N ATOM 606 CA GLY A 42 4.389 3.407 3.326 1.00 30.31 C ATOM 607 C GLY A 42 3.091 3.078 2.613 1.00 5.13 C ATOM 608 O GLY A 42 2.046 3.657 2.912 1.00 22.00 O ATOM 0 H GLY A 42 4.507 5.447 3.790 1.00 63.20 H new ATOM 0 HA2 GLY A 42 5.168 2.721 2.992 1.00 30.31 H new ATOM 0 HA3 GLY A 42 4.262 3.248 4.397 1.00 30.31 H new ATOM 612 N LEU A 43 3.158 2.147 1.669 1.00 75.30 N ATOM 613 CA LEU A 43 1.979 1.742 0.910 1.00 53.04 C ATOM 614 C LEU A 43 1.505 0.357 1.338 1.00 2.24 C ATOM 615 O LEU A 43 2.282 -0.596 1.358 1.00 34.25 O ATOM 616 CB LEU A 43 2.287 1.748 -0.588 1.00 53.03 C ATOM 617 CG LEU A 43 1.174 1.233 -1.504 1.00 30.54 C ATOM 618 CD1 LEU A 43 0.181 2.342 -1.812 1.00 14.43 C ATOM 619 CD2 LEU A 43 1.761 0.667 -2.789 1.00 62.23 C ATOM 0 H LEU A 43 4.015 1.658 1.410 1.00 75.30 H new ATOM 0 HA LEU A 43 1.182 2.457 1.114 1.00 53.04 H new ATOM 0 HB2 LEU A 43 2.531 2.768 -0.884 1.00 53.03 H new ATOM 0 HB3 LEU A 43 3.179 1.144 -0.758 1.00 53.03 H new ATOM 0 HG LEU A 43 0.644 0.433 -0.987 1.00 30.54 H new ATOM 0 HD11 LEU A 43 -0.603 1.958 -2.464 1.00 14.43 H new ATOM 0 HD12 LEU A 43 -0.263 2.701 -0.884 1.00 14.43 H new ATOM 0 HD13 LEU A 43 0.696 3.164 -2.309 1.00 14.43 H new ATOM 0 HD21 LEU A 43 0.956 0.305 -3.428 1.00 62.23 H new ATOM 0 HD22 LEU A 43 2.316 1.447 -3.310 1.00 62.23 H new ATOM 0 HD23 LEU A 43 2.433 -0.158 -2.550 1.00 62.23 H new ATOM 630 N ALA A 44 0.225 0.256 1.678 1.00 15.44 N ATOM 631 CA ALA A 44 -0.355 -1.014 2.102 1.00 31.20 C ATOM 632 C ALA A 44 -1.442 -1.472 1.135 1.00 63.35 C ATOM 633 O ALA A 44 -2.244 -0.667 0.661 1.00 70.25 O ATOM 634 CB ALA A 44 -0.917 -0.893 3.511 1.00 62.41 C ATOM 0 H ALA A 44 -0.431 1.037 1.669 1.00 15.44 H new ATOM 0 HA ALA A 44 0.436 -1.764 2.100 1.00 31.20 H new ATOM 0 HB1 ALA A 44 -1.347 -1.848 3.815 1.00 62.41 H new ATOM 0 HB2 ALA A 44 -0.117 -0.620 4.199 1.00 62.41 H new ATOM 0 HB3 ALA A 44 -1.690 -0.125 3.530 1.00 62.41 H new ATOM 640 N LEU A 45 -1.462 -2.768 0.846 1.00 20.14 N ATOM 641 CA LEU A 45 -2.450 -3.333 -0.066 1.00 65.43 C ATOM 642 C LEU A 45 -3.037 -4.623 0.498 1.00 5.10 C ATOM 643 O LEU A 45 -2.321 -5.446 1.069 1.00 11.40 O ATOM 644 CB LEU A 45 -1.817 -3.603 -1.433 1.00 5.13 C ATOM 645 CG LEU A 45 -2.591 -4.544 -2.356 1.00 2.03 C ATOM 646 CD1 LEU A 45 -3.998 -4.020 -2.594 1.00 35.14 C ATOM 647 CD2 LEU A 45 -1.855 -4.719 -3.676 1.00 61.34 C ATOM 0 H LEU A 45 -0.805 -3.448 1.230 1.00 20.14 H new ATOM 0 HA LEU A 45 -3.256 -2.609 -0.182 1.00 65.43 H new ATOM 0 HB2 LEU A 45 -1.686 -2.650 -1.945 1.00 5.13 H new ATOM 0 HB3 LEU A 45 -0.822 -4.019 -1.275 1.00 5.13 H new ATOM 0 HG LEU A 45 -2.665 -5.518 -1.872 1.00 2.03 H new ATOM 0 HD11 LEU A 45 -4.534 -4.703 -3.253 1.00 35.14 H new ATOM 0 HD12 LEU A 45 -4.525 -3.946 -1.642 1.00 35.14 H new ATOM 0 HD13 LEU A 45 -3.946 -3.035 -3.057 1.00 35.14 H new ATOM 0 HD21 LEU A 45 -2.420 -5.392 -4.321 1.00 61.34 H new ATOM 0 HD22 LEU A 45 -1.750 -3.751 -4.165 1.00 61.34 H new ATOM 0 HD23 LEU A 45 -0.867 -5.140 -3.489 1.00 61.34 H new ATOM 658 N LYS A 46 -4.344 -4.793 0.333 1.00 1.34 N ATOM 659 CA LYS A 46 -5.029 -5.984 0.823 1.00 24.32 C ATOM 660 C LYS A 46 -5.237 -6.993 -0.302 1.00 42.22 C ATOM 661 O LYS A 46 -5.659 -6.634 -1.401 1.00 50.42 O ATOM 662 CB LYS A 46 -6.378 -5.605 1.439 1.00 62.51 C ATOM 663 CG LYS A 46 -6.819 -6.535 2.556 1.00 21.13 C ATOM 664 CD LYS A 46 -7.173 -7.914 2.026 1.00 54.10 C ATOM 665 CE LYS A 46 -8.328 -8.529 2.801 1.00 10.05 C ATOM 666 NZ LYS A 46 -9.625 -7.873 2.480 1.00 51.21 N ATOM 0 H LYS A 46 -4.951 -4.121 -0.137 1.00 1.34 H new ATOM 0 HA LYS A 46 -4.404 -6.443 1.589 1.00 24.32 H new ATOM 0 HB2 LYS A 46 -6.318 -4.588 1.827 1.00 62.51 H new ATOM 0 HB3 LYS A 46 -7.138 -5.604 0.657 1.00 62.51 H new ATOM 0 HG2 LYS A 46 -6.022 -6.622 3.295 1.00 21.13 H new ATOM 0 HG3 LYS A 46 -7.682 -6.108 3.067 1.00 21.13 H new ATOM 0 HD2 LYS A 46 -7.438 -7.843 0.971 1.00 54.10 H new ATOM 0 HD3 LYS A 46 -6.301 -8.565 2.092 1.00 54.10 H new ATOM 0 HE2 LYS A 46 -8.393 -9.593 2.572 1.00 10.05 H new ATOM 0 HE3 LYS A 46 -8.133 -8.444 3.870 1.00 10.05 H new ATOM 0 HZ1 LYS A 46 -10.213 -7.829 3.337 1.00 51.21 H new ATOM 0 HZ2 LYS A 46 -9.450 -6.909 2.131 1.00 51.21 H new ATOM 0 HZ3 LYS A 46 -10.120 -8.422 1.748 1.00 51.21 H new ATOM 676 N VAL A 47 -4.941 -8.258 -0.019 1.00 64.32 N ATOM 677 CA VAL A 47 -5.098 -9.319 -1.006 1.00 42.51 C ATOM 678 C VAL A 47 -6.441 -10.021 -0.848 1.00 34.15 C ATOM 679 O VAL A 47 -6.932 -10.201 0.266 1.00 32.15 O ATOM 680 CB VAL A 47 -3.969 -10.361 -0.895 1.00 1.33 C ATOM 681 CG1 VAL A 47 -2.608 -9.687 -0.990 1.00 14.13 C ATOM 682 CG2 VAL A 47 -4.095 -11.145 0.403 1.00 40.10 C ATOM 0 H VAL A 47 -4.591 -8.572 0.886 1.00 64.32 H new ATOM 0 HA VAL A 47 -5.051 -8.848 -1.988 1.00 42.51 H new ATOM 0 HB VAL A 47 -4.060 -11.060 -1.726 1.00 1.33 H new ATOM 0 HG11 VAL A 47 -1.823 -10.439 -0.910 1.00 14.13 H new ATOM 0 HG12 VAL A 47 -2.522 -9.174 -1.948 1.00 14.13 H new ATOM 0 HG13 VAL A 47 -2.503 -8.964 -0.181 1.00 14.13 H new ATOM 0 HG21 VAL A 47 -3.290 -11.877 0.466 1.00 40.10 H new ATOM 0 HG22 VAL A 47 -4.030 -10.461 1.249 1.00 40.10 H new ATOM 0 HG23 VAL A 47 -5.056 -11.660 0.425 1.00 40.10 H new ATOM 692 N ALA A 48 -7.031 -10.419 -1.971 1.00 4.54 N ATOM 693 CA ALA A 48 -8.318 -11.105 -1.956 1.00 64.52 C ATOM 694 C ALA A 48 -8.167 -12.542 -1.469 1.00 31.01 C ATOM 695 O ALA A 48 -9.023 -13.057 -0.747 1.00 42.05 O ATOM 696 CB ALA A 48 -8.945 -11.078 -3.342 1.00 23.40 C ATOM 0 H ALA A 48 -6.639 -10.278 -2.902 1.00 4.54 H new ATOM 0 HA ALA A 48 -8.975 -10.581 -1.262 1.00 64.52 H new ATOM 0 HB1 ALA A 48 -9.905 -11.593 -3.317 1.00 23.40 H new ATOM 0 HB2 ALA A 48 -9.096 -10.044 -3.653 1.00 23.40 H new ATOM 0 HB3 ALA A 48 -8.284 -11.577 -4.050 1.00 23.40 H new ATOM 909 N LEU A 65 -2.631 -11.606 4.748 1.00 14.14 N ATOM 910 CA LEU A 65 -3.372 -11.108 3.595 1.00 53.44 C ATOM 911 C LEU A 65 -3.141 -9.612 3.403 1.00 4.45 C ATOM 912 O LEU A 65 -3.896 -8.942 2.699 1.00 4.31 O ATOM 913 CB LEU A 65 -4.867 -11.387 3.765 1.00 63.21 C ATOM 914 CG LEU A 65 -5.269 -12.860 3.846 1.00 41.21 C ATOM 915 CD1 LEU A 65 -6.774 -12.993 4.026 1.00 4.44 C ATOM 916 CD2 LEU A 65 -4.811 -13.608 2.602 1.00 45.30 C ATOM 0 HA LEU A 65 -3.010 -11.629 2.709 1.00 53.44 H new ATOM 0 HB2 LEU A 65 -5.209 -10.887 4.671 1.00 63.21 H new ATOM 0 HB3 LEU A 65 -5.399 -10.931 2.930 1.00 63.21 H new ATOM 0 HG LEU A 65 -4.779 -13.303 4.713 1.00 41.21 H new ATOM 0 HD11 LEU A 65 -7.042 -14.048 4.082 1.00 4.44 H new ATOM 0 HD12 LEU A 65 -7.076 -12.493 4.946 1.00 4.44 H new ATOM 0 HD13 LEU A 65 -7.284 -12.533 3.179 1.00 4.44 H new ATOM 0 HD21 LEU A 65 -5.106 -14.655 2.678 1.00 45.30 H new ATOM 0 HD22 LEU A 65 -5.272 -13.164 1.720 1.00 45.30 H new ATOM 0 HD23 LEU A 65 -3.726 -13.542 2.516 1.00 45.30 H new ATOM 927 N VAL A 66 -2.092 -9.095 4.035 1.00 11.35 N ATOM 928 CA VAL A 66 -1.759 -7.680 3.932 1.00 42.51 C ATOM 929 C VAL A 66 -0.292 -7.485 3.566 1.00 22.21 C ATOM 930 O VAL A 66 0.602 -7.931 4.285 1.00 3.44 O ATOM 931 CB VAL A 66 -2.050 -6.937 5.250 1.00 70.12 C ATOM 932 CG1 VAL A 66 -1.687 -5.466 5.126 1.00 44.24 C ATOM 933 CG2 VAL A 66 -3.510 -7.103 5.643 1.00 54.31 C ATOM 0 H VAL A 66 -1.458 -9.636 4.624 1.00 11.35 H new ATOM 0 HA VAL A 66 -2.386 -7.265 3.143 1.00 42.51 H new ATOM 0 HB VAL A 66 -1.433 -7.373 6.036 1.00 70.12 H new ATOM 0 HG11 VAL A 66 -1.900 -4.958 6.067 1.00 44.24 H new ATOM 0 HG12 VAL A 66 -0.626 -5.371 4.894 1.00 44.24 H new ATOM 0 HG13 VAL A 66 -2.275 -5.012 4.328 1.00 44.24 H new ATOM 0 HG21 VAL A 66 -3.698 -6.572 6.576 1.00 54.31 H new ATOM 0 HG22 VAL A 66 -4.147 -6.695 4.858 1.00 54.31 H new ATOM 0 HG23 VAL A 66 -3.733 -8.162 5.777 1.00 54.31 H new ATOM 943 N ARG A 67 -0.051 -6.817 2.443 1.00 32.12 N ATOM 944 CA ARG A 67 1.308 -6.564 1.980 1.00 32.22 C ATOM 945 C ARG A 67 1.637 -5.076 2.048 1.00 12.41 C ATOM 946 O ARG A 67 1.022 -4.261 1.360 1.00 61.00 O ATOM 947 CB ARG A 67 1.484 -7.071 0.548 1.00 53.13 C ATOM 948 CG ARG A 67 2.900 -7.526 0.233 1.00 62.25 C ATOM 949 CD ARG A 67 3.185 -8.902 0.813 1.00 74.42 C ATOM 950 NE ARG A 67 4.003 -9.715 -0.084 1.00 30.43 N ATOM 951 CZ ARG A 67 4.569 -10.861 0.274 1.00 23.24 C ATOM 952 NH1 ARG A 67 4.408 -11.328 1.505 1.00 1.53 N ATOM 953 NH2 ARG A 67 5.300 -11.544 -0.598 1.00 11.41 N ATOM 0 H ARG A 67 -0.780 -6.441 1.836 1.00 32.12 H new ATOM 0 HA ARG A 67 1.994 -7.101 2.635 1.00 32.22 H new ATOM 0 HB2 ARG A 67 0.798 -7.901 0.379 1.00 53.13 H new ATOM 0 HB3 ARG A 67 1.203 -6.279 -0.146 1.00 53.13 H new ATOM 0 HG2 ARG A 67 3.044 -7.548 -0.847 1.00 62.25 H new ATOM 0 HG3 ARG A 67 3.613 -6.806 0.635 1.00 62.25 H new ATOM 0 HD2 ARG A 67 3.695 -8.793 1.770 1.00 74.42 H new ATOM 0 HD3 ARG A 67 2.243 -9.415 1.010 1.00 74.42 H new ATOM 0 HE ARG A 67 4.147 -9.384 -1.038 1.00 30.43 H new ATOM 0 HH11 ARG A 67 3.848 -10.806 2.179 1.00 1.53 H new ATOM 0 HH12 ARG A 67 4.844 -12.209 1.777 1.00 1.53 H new ATOM 0 HH21 ARG A 67 5.428 -11.189 -1.545 1.00 11.41 H new ATOM 0 HH22 ARG A 67 5.734 -12.424 -0.321 1.00 11.41 H new ATOM 964 N HIS A 68 2.611 -4.729 2.884 1.00 44.03 N ATOM 965 CA HIS A 68 3.022 -3.338 3.042 1.00 21.20 C ATOM 966 C HIS A 68 4.482 -3.154 2.639 1.00 4.20 C ATOM 967 O HIS A 68 5.368 -3.845 3.143 1.00 1.44 O ATOM 968 CB HIS A 68 2.819 -2.885 4.488 1.00 12.22 C ATOM 969 CG HIS A 68 3.346 -3.857 5.500 1.00 62.51 C ATOM 970 ND1 HIS A 68 2.639 -4.964 5.919 1.00 24.53 N ATOM 971 CD2 HIS A 68 4.519 -3.883 6.174 1.00 72.23 C ATOM 972 CE1 HIS A 68 3.354 -5.629 6.809 1.00 64.15 C ATOM 973 NE2 HIS A 68 4.500 -4.994 6.981 1.00 44.10 N ATOM 0 H HIS A 68 3.130 -5.391 3.462 1.00 44.03 H new ATOM 0 HA HIS A 68 2.402 -2.725 2.387 1.00 21.20 H new ATOM 0 HB2 HIS A 68 3.310 -1.922 4.631 1.00 12.22 H new ATOM 0 HB3 HIS A 68 1.755 -2.730 4.665 1.00 12.22 H new ATOM 0 HD2 HIS A 68 5.321 -3.164 6.093 1.00 72.23 H new ATOM 0 HE1 HIS A 68 3.053 -6.537 7.311 1.00 64.15 H new ATOM 0 HE2 HIS A 68 5.249 -5.282 7.611 1.00 44.10 H new ATOM 980 N PHE A 69 4.726 -2.218 1.727 1.00 34.11 N ATOM 981 CA PHE A 69 6.078 -1.946 1.255 1.00 64.54 C ATOM 982 C PHE A 69 6.377 -0.450 1.298 1.00 5.24 C ATOM 983 O PHE A 69 5.472 0.380 1.201 1.00 74.54 O ATOM 984 CB PHE A 69 6.260 -2.471 -0.171 1.00 12.43 C ATOM 985 CG PHE A 69 6.348 -3.968 -0.250 1.00 33.45 C ATOM 986 CD1 PHE A 69 7.211 -4.670 0.577 1.00 42.31 C ATOM 987 CD2 PHE A 69 5.567 -4.675 -1.151 1.00 24.42 C ATOM 988 CE1 PHE A 69 7.294 -6.048 0.505 1.00 44.23 C ATOM 989 CE2 PHE A 69 5.646 -6.053 -1.226 1.00 10.02 C ATOM 990 CZ PHE A 69 6.510 -6.740 -0.397 1.00 4.44 C ATOM 0 H PHE A 69 4.005 -1.636 1.301 1.00 34.11 H new ATOM 0 HA PHE A 69 6.776 -2.460 1.916 1.00 64.54 H new ATOM 0 HB2 PHE A 69 5.426 -2.131 -0.784 1.00 12.43 H new ATOM 0 HB3 PHE A 69 7.166 -2.038 -0.596 1.00 12.43 H new ATOM 0 HD1 PHE A 69 7.825 -4.134 1.286 1.00 42.31 H new ATOM 0 HD2 PHE A 69 4.889 -4.143 -1.802 1.00 24.42 H new ATOM 0 HE1 PHE A 69 7.972 -6.583 1.154 1.00 44.23 H new ATOM 0 HE2 PHE A 69 5.032 -6.592 -1.933 1.00 10.02 H new ATOM 0 HZ PHE A 69 6.573 -7.817 -0.454 1.00 4.44 H new ATOM 999 N LEU A 70 7.653 -0.112 1.447 1.00 64.01 N ATOM 1000 CA LEU A 70 8.074 1.284 1.505 1.00 73.12 C ATOM 1001 C LEU A 70 8.597 1.751 0.150 1.00 50.23 C ATOM 1002 O LEU A 70 9.466 1.112 -0.445 1.00 62.13 O ATOM 1003 CB LEU A 70 9.154 1.468 2.572 1.00 52.21 C ATOM 1004 CG LEU A 70 10.283 0.437 2.569 1.00 63.42 C ATOM 1005 CD1 LEU A 70 11.637 1.128 2.639 1.00 2.01 C ATOM 1006 CD2 LEU A 70 10.119 -0.537 3.725 1.00 22.44 C ATOM 0 H LEU A 70 8.415 -0.786 1.530 1.00 64.01 H new ATOM 0 HA LEU A 70 7.206 1.889 1.768 1.00 73.12 H new ATOM 0 HB2 LEU A 70 9.593 2.458 2.449 1.00 52.21 H new ATOM 0 HB3 LEU A 70 8.676 1.451 3.551 1.00 52.21 H new ATOM 0 HG LEU A 70 10.233 -0.126 1.637 1.00 63.42 H new ATOM 0 HD11 LEU A 70 12.429 0.379 2.636 1.00 2.01 H new ATOM 0 HD12 LEU A 70 11.755 1.784 1.777 1.00 2.01 H new ATOM 0 HD13 LEU A 70 11.698 1.717 3.554 1.00 2.01 H new ATOM 0 HD21 LEU A 70 10.931 -1.263 3.707 1.00 22.44 H new ATOM 0 HD22 LEU A 70 10.142 0.010 4.668 1.00 22.44 H new ATOM 0 HD23 LEU A 70 9.166 -1.057 3.630 1.00 22.44 H new ATOM 1017 N ILE A 71 8.064 2.869 -0.330 1.00 63.00 N ATOM 1018 CA ILE A 71 8.480 3.424 -1.613 1.00 24.25 C ATOM 1019 C ILE A 71 9.353 4.660 -1.420 1.00 53.31 C ATOM 1020 O ILE A 71 9.050 5.523 -0.597 1.00 15.23 O ATOM 1021 CB ILE A 71 7.267 3.796 -2.485 1.00 53.40 C ATOM 1022 CG1 ILE A 71 6.206 2.695 -2.419 1.00 3.13 C ATOM 1023 CG2 ILE A 71 7.701 4.036 -3.923 1.00 21.34 C ATOM 1024 CD1 ILE A 71 5.080 2.998 -1.454 1.00 35.52 C ATOM 0 H ILE A 71 7.343 3.409 0.150 1.00 63.00 H new ATOM 0 HA ILE A 71 9.057 2.650 -2.120 1.00 24.25 H new ATOM 0 HB ILE A 71 6.831 4.718 -2.100 1.00 53.40 H new ATOM 0 HG12 ILE A 71 5.789 2.543 -3.415 1.00 3.13 H new ATOM 0 HG13 ILE A 71 6.683 1.759 -2.127 1.00 3.13 H new ATOM 0 HG21 ILE A 71 6.832 4.298 -4.526 1.00 21.34 H new ATOM 0 HG22 ILE A 71 8.423 4.852 -3.954 1.00 21.34 H new ATOM 0 HG23 ILE A 71 8.159 3.130 -4.321 1.00 21.34 H new ATOM 0 HD11 ILE A 71 4.365 2.175 -1.459 1.00 35.52 H new ATOM 0 HD12 ILE A 71 5.485 3.121 -0.449 1.00 35.52 H new ATOM 0 HD13 ILE A 71 4.578 3.917 -1.758 1.00 35.52 H new ATOM 1035 N GLU A 72 10.435 4.738 -2.187 1.00 42.04 N ATOM 1036 CA GLU A 72 11.351 5.870 -2.102 1.00 52.01 C ATOM 1037 C GLU A 72 11.289 6.718 -3.369 1.00 35.01 C ATOM 1038 O GLU A 72 11.337 6.194 -4.484 1.00 45.43 O ATOM 1039 CB GLU A 72 12.782 5.380 -1.873 1.00 24.34 C ATOM 1040 CG GLU A 72 13.625 6.330 -1.039 1.00 73.15 C ATOM 1041 CD GLU A 72 14.424 7.299 -1.889 1.00 41.42 C ATOM 1042 OE1 GLU A 72 14.946 6.874 -2.941 1.00 53.44 O ATOM 1043 OE2 GLU A 72 14.528 8.482 -1.501 1.00 63.30 O ATOM 0 H GLU A 72 10.699 4.032 -2.874 1.00 42.04 H new ATOM 0 HA GLU A 72 11.046 6.488 -1.257 1.00 52.01 H new ATOM 0 HB2 GLU A 72 12.750 4.408 -1.380 1.00 24.34 H new ATOM 0 HB3 GLU A 72 13.265 5.232 -2.839 1.00 24.34 H new ATOM 0 HG2 GLU A 72 12.976 6.892 -0.367 1.00 73.15 H new ATOM 0 HG3 GLU A 72 14.307 5.752 -0.415 1.00 73.15 H new ATOM 1048 N THR A 73 11.181 8.030 -3.191 1.00 52.31 N ATOM 1049 CA THR A 73 11.109 8.951 -4.319 1.00 31.22 C ATOM 1050 C THR A 73 12.298 9.906 -4.325 1.00 24.15 C ATOM 1051 O THR A 73 12.523 10.639 -3.363 1.00 31.44 O ATOM 1052 CB THR A 73 9.807 9.773 -4.293 1.00 10.43 C ATOM 1053 OG1 THR A 73 9.865 10.816 -5.272 1.00 21.11 O ATOM 1054 CG2 THR A 73 9.575 10.376 -2.915 1.00 14.44 C ATOM 0 H THR A 73 11.141 8.480 -2.276 1.00 52.31 H new ATOM 0 HA THR A 73 11.128 8.343 -5.224 1.00 31.22 H new ATOM 0 HB THR A 73 8.978 9.105 -4.524 1.00 10.43 H new ATOM 0 HG1 THR A 73 9.032 11.333 -5.249 1.00 21.11 H new ATOM 0 HG21 THR A 73 8.650 10.952 -2.921 1.00 14.44 H new ATOM 0 HG22 THR A 73 9.501 9.578 -2.176 1.00 14.44 H new ATOM 0 HG23 THR A 73 10.408 11.031 -2.659 1.00 14.44 H new ATOM 1062 N GLY A 74 13.057 9.891 -5.416 1.00 74.01 N ATOM 1063 CA GLY A 74 14.214 10.761 -5.527 1.00 60.22 C ATOM 1064 C GLY A 74 14.298 11.444 -6.878 1.00 21.12 C ATOM 1065 O GLY A 74 13.356 11.420 -7.670 1.00 14.04 O ATOM 0 H GLY A 74 12.892 9.292 -6.225 1.00 74.01 H new ATOM 0 HA2 GLY A 74 14.173 11.517 -4.743 1.00 60.22 H new ATOM 0 HA3 GLY A 74 15.120 10.178 -5.361 1.00 60.22 H new ATOM 1069 N PRO A 75 15.449 12.074 -7.156 1.00 25.14 N ATOM 1070 CA PRO A 75 15.680 12.780 -8.419 1.00 44.33 C ATOM 1071 C PRO A 75 15.803 11.826 -9.602 1.00 54.12 C ATOM 1072 O PRO A 75 15.863 12.255 -10.756 1.00 0.52 O ATOM 1073 CB PRO A 75 17.005 13.509 -8.181 1.00 44.32 C ATOM 1074 CG PRO A 75 17.699 12.704 -7.137 1.00 13.32 C ATOM 1075 CD PRO A 75 16.614 12.144 -6.258 1.00 22.42 C ATOM 0 HA PRO A 75 14.852 13.443 -8.672 1.00 44.33 H new ATOM 0 HB2 PRO A 75 17.596 13.565 -9.095 1.00 44.32 H new ATOM 0 HB3 PRO A 75 16.839 14.533 -7.846 1.00 44.32 H new ATOM 0 HG2 PRO A 75 18.288 11.905 -7.587 1.00 13.32 H new ATOM 0 HG3 PRO A 75 18.388 13.322 -6.561 1.00 13.32 H new ATOM 0 HD2 PRO A 75 16.880 11.162 -5.868 1.00 22.42 H new ATOM 0 HD3 PRO A 75 16.421 12.787 -5.399 1.00 22.42 H new ATOM 1080 N LYS A 76 15.838 10.531 -9.311 1.00 13.50 N ATOM 1081 CA LYS A 76 15.951 9.515 -10.351 1.00 21.34 C ATOM 1082 C LYS A 76 14.621 8.797 -10.557 1.00 11.41 C ATOM 1083 O LYS A 76 14.513 7.896 -11.387 1.00 71.42 O ATOM 1084 CB LYS A 76 17.038 8.502 -9.987 1.00 0.44 C ATOM 1085 CG LYS A 76 18.449 9.010 -10.230 1.00 20.32 C ATOM 1086 CD LYS A 76 19.178 8.160 -11.258 1.00 3.22 C ATOM 1087 CE LYS A 76 20.687 8.310 -11.135 1.00 72.24 C ATOM 1088 NZ LYS A 76 21.408 7.546 -12.191 1.00 3.32 N ATOM 0 H LYS A 76 15.790 10.159 -8.362 1.00 13.50 H new ATOM 0 HA LYS A 76 16.223 10.013 -11.282 1.00 21.34 H new ATOM 0 HB2 LYS A 76 16.934 8.232 -8.936 1.00 0.44 H new ATOM 0 HB3 LYS A 76 16.884 7.592 -10.567 1.00 0.44 H new ATOM 0 HG2 LYS A 76 18.411 10.044 -10.573 1.00 20.32 H new ATOM 0 HG3 LYS A 76 19.005 9.005 -9.292 1.00 20.32 H new ATOM 0 HD2 LYS A 76 18.903 7.113 -11.127 1.00 3.22 H new ATOM 0 HD3 LYS A 76 18.863 8.449 -12.261 1.00 3.22 H new ATOM 0 HE2 LYS A 76 20.954 9.365 -11.203 1.00 72.24 H new ATOM 0 HE3 LYS A 76 21.008 7.963 -10.153 1.00 72.24 H new ATOM 0 HZ1 LYS A 76 22.433 7.674 -12.073 1.00 3.32 H new ATOM 0 HZ2 LYS A 76 21.173 6.536 -12.110 1.00 3.32 H new ATOM 0 HZ3 LYS A 76 21.121 7.894 -13.128 1.00 3.32 H new ATOM 1098 N GLY A 77 13.610 9.203 -9.795 1.00 72.14 N ATOM 1099 CA GLY A 77 12.300 8.589 -9.911 1.00 14.13 C ATOM 1100 C GLY A 77 11.856 7.923 -8.624 1.00 11.11 C ATOM 1101 O GLY A 77 12.571 7.952 -7.623 1.00 25.14 O ATOM 0 H GLY A 77 13.675 9.946 -9.099 1.00 72.14 H new ATOM 0 HA2 GLY A 77 11.570 9.348 -10.194 1.00 14.13 H new ATOM 0 HA3 GLY A 77 12.318 7.850 -10.712 1.00 14.13 H new ATOM 1105 N VAL A 78 10.670 7.324 -8.648 1.00 34.23 N ATOM 1106 CA VAL A 78 10.131 6.648 -7.474 1.00 53.34 C ATOM 1107 C VAL A 78 10.084 5.138 -7.681 1.00 74.12 C ATOM 1108 O VAL A 78 9.535 4.652 -8.671 1.00 51.43 O ATOM 1109 CB VAL A 78 8.715 7.153 -7.136 1.00 75.53 C ATOM 1110 CG1 VAL A 78 7.769 6.906 -8.301 1.00 51.30 C ATOM 1111 CG2 VAL A 78 8.201 6.487 -5.870 1.00 13.32 C ATOM 0 H VAL A 78 10.064 7.293 -9.468 1.00 34.23 H new ATOM 0 HA VAL A 78 10.799 6.877 -6.643 1.00 53.34 H new ATOM 0 HB VAL A 78 8.763 8.228 -6.960 1.00 75.53 H new ATOM 0 HG11 VAL A 78 6.774 7.269 -8.045 1.00 51.30 H new ATOM 0 HG12 VAL A 78 8.132 7.434 -9.183 1.00 51.30 H new ATOM 0 HG13 VAL A 78 7.723 5.838 -8.512 1.00 51.30 H new ATOM 0 HG21 VAL A 78 7.200 6.855 -5.646 1.00 13.32 H new ATOM 0 HG22 VAL A 78 8.167 5.407 -6.015 1.00 13.32 H new ATOM 0 HG23 VAL A 78 8.868 6.720 -5.040 1.00 13.32 H new ATOM 1121 N LYS A 79 10.663 4.398 -6.742 1.00 43.33 N ATOM 1122 CA LYS A 79 10.687 2.943 -6.819 1.00 30.11 C ATOM 1123 C LYS A 79 10.100 2.322 -5.555 1.00 21.43 C ATOM 1124 O LYS A 79 10.326 2.813 -4.449 1.00 43.31 O ATOM 1125 CB LYS A 79 12.119 2.446 -7.027 1.00 41.11 C ATOM 1126 CG LYS A 79 12.974 2.513 -5.774 1.00 4.15 C ATOM 1127 CD LYS A 79 14.422 2.156 -6.068 1.00 24.13 C ATOM 1128 CE LYS A 79 15.186 1.834 -4.792 1.00 13.22 C ATOM 1129 NZ LYS A 79 16.613 1.507 -5.068 1.00 12.13 N ATOM 0 H LYS A 79 11.123 4.783 -5.917 1.00 43.33 H new ATOM 0 HA LYS A 79 10.077 2.639 -7.669 1.00 30.11 H new ATOM 0 HB2 LYS A 79 12.089 1.416 -7.382 1.00 41.11 H new ATOM 0 HB3 LYS A 79 12.590 3.039 -7.811 1.00 41.11 H new ATOM 0 HG2 LYS A 79 12.924 3.517 -5.351 1.00 4.15 H new ATOM 0 HG3 LYS A 79 12.575 1.831 -5.023 1.00 4.15 H new ATOM 0 HD2 LYS A 79 14.457 1.299 -6.741 1.00 24.13 H new ATOM 0 HD3 LYS A 79 14.905 2.986 -6.583 1.00 24.13 H new ATOM 0 HE2 LYS A 79 15.133 2.685 -4.112 1.00 13.22 H new ATOM 0 HE3 LYS A 79 14.712 0.993 -4.287 1.00 13.22 H new ATOM 0 HZ1 LYS A 79 17.000 0.949 -4.280 1.00 12.13 H new ATOM 0 HZ2 LYS A 79 16.679 0.956 -5.948 1.00 12.13 H new ATOM 0 HZ3 LYS A 79 17.158 2.387 -5.169 1.00 12.13 H new ATOM 1139 N ILE A 80 9.350 1.239 -5.727 1.00 24.42 N ATOM 1140 CA ILE A 80 8.735 0.549 -4.599 1.00 61.14 C ATOM 1141 C ILE A 80 9.622 -0.584 -4.098 1.00 23.45 C ATOM 1142 O ILE A 80 9.929 -1.521 -4.836 1.00 73.41 O ATOM 1143 CB ILE A 80 7.355 -0.021 -4.974 1.00 53.44 C ATOM 1144 CG1 ILE A 80 6.463 1.080 -5.554 1.00 44.03 C ATOM 1145 CG2 ILE A 80 6.697 -0.656 -3.758 1.00 34.21 C ATOM 1146 CD1 ILE A 80 5.918 0.756 -6.926 1.00 31.22 C ATOM 0 H ILE A 80 9.153 0.820 -6.636 1.00 24.42 H new ATOM 0 HA ILE A 80 8.611 1.287 -3.806 1.00 61.14 H new ATOM 0 HB ILE A 80 7.491 -0.790 -5.734 1.00 53.44 H new ATOM 0 HG12 ILE A 80 5.630 1.257 -4.874 1.00 44.03 H new ATOM 0 HG13 ILE A 80 7.033 2.007 -5.608 1.00 44.03 H new ATOM 0 HG21 ILE A 80 5.722 -1.055 -4.038 1.00 34.21 H new ATOM 0 HG22 ILE A 80 7.326 -1.464 -3.385 1.00 34.21 H new ATOM 0 HG23 ILE A 80 6.571 0.095 -2.978 1.00 34.21 H new ATOM 0 HD11 ILE A 80 5.295 1.580 -7.274 1.00 31.22 H new ATOM 0 HD12 ILE A 80 6.745 0.608 -7.620 1.00 31.22 H new ATOM 0 HD13 ILE A 80 5.320 -0.154 -6.874 1.00 31.22 H new ATOM 1203 N SER A 85 13.428 -5.142 -9.765 1.00 53.02 N ATOM 1204 CA SER A 85 13.035 -4.451 -10.988 1.00 33.13 C ATOM 1205 C SER A 85 13.360 -2.963 -10.900 1.00 14.02 C ATOM 1206 O SER A 85 14.205 -2.457 -11.637 1.00 22.11 O ATOM 1207 CB SER A 85 11.540 -4.643 -11.250 1.00 31.11 C ATOM 1208 OG SER A 85 11.119 -5.941 -10.869 1.00 34.42 O ATOM 0 HA SER A 85 13.600 -4.880 -11.815 1.00 33.13 H new ATOM 0 HB2 SER A 85 10.972 -3.896 -10.696 1.00 31.11 H new ATOM 0 HB3 SER A 85 11.330 -4.485 -12.308 1.00 31.11 H new ATOM 0 HG SER A 85 11.720 -6.290 -10.178 1.00 34.42 H new ATOM 1213 N GLU A 86 12.681 -2.268 -9.991 1.00 21.51 N ATOM 1214 CA GLU A 86 12.897 -0.838 -9.807 1.00 24.12 C ATOM 1215 C GLU A 86 12.788 -0.095 -11.135 1.00 22.25 C ATOM 1216 O GLU A 86 13.767 0.438 -11.659 1.00 35.21 O ATOM 1217 CB GLU A 86 14.269 -0.584 -9.179 1.00 23.53 C ATOM 1218 CG GLU A 86 14.590 -1.513 -8.020 1.00 31.32 C ATOM 1219 CD GLU A 86 15.804 -1.063 -7.230 1.00 42.10 C ATOM 1220 OE1 GLU A 86 16.331 0.031 -7.525 1.00 23.33 O ATOM 1221 OE2 GLU A 86 16.227 -1.803 -6.318 1.00 43.41 O ATOM 0 H GLU A 86 11.978 -2.672 -9.372 1.00 21.51 H new ATOM 0 HA GLU A 86 12.123 -0.463 -9.137 1.00 24.12 H new ATOM 0 HB2 GLU A 86 15.036 -0.695 -9.945 1.00 23.53 H new ATOM 0 HB3 GLU A 86 14.314 0.448 -8.830 1.00 23.53 H new ATOM 0 HG2 GLU A 86 13.728 -1.569 -7.355 1.00 31.32 H new ATOM 0 HG3 GLU A 86 14.763 -2.519 -8.403 1.00 31.32 H new ATOM 1226 N PRO A 87 11.569 -0.060 -11.694 1.00 64.53 N ATOM 1227 CA PRO A 87 11.302 0.614 -12.968 1.00 50.13 C ATOM 1228 C PRO A 87 11.402 2.132 -12.853 1.00 62.30 C ATOM 1229 O PRO A 87 11.432 2.840 -13.860 1.00 22.45 O ATOM 1230 CB PRO A 87 9.867 0.196 -13.296 1.00 64.14 C ATOM 1231 CG PRO A 87 9.252 -0.115 -11.976 1.00 34.32 C ATOM 1232 CD PRO A 87 10.358 -0.674 -11.124 1.00 40.22 C ATOM 0 HA PRO A 87 12.026 0.339 -13.735 1.00 50.13 H new ATOM 0 HB2 PRO A 87 9.328 0.995 -13.805 1.00 64.14 H new ATOM 0 HB3 PRO A 87 9.848 -0.672 -13.956 1.00 64.14 H new ATOM 0 HG2 PRO A 87 8.826 0.780 -11.524 1.00 34.32 H new ATOM 0 HG3 PRO A 87 8.441 -0.835 -12.084 1.00 34.32 H new ATOM 0 HD2 PRO A 87 10.229 -0.410 -10.074 1.00 40.22 H new ATOM 0 HD3 PRO A 87 10.396 -1.762 -11.177 1.00 40.22 H new ATOM 1237 N TYR A 88 11.453 2.625 -11.621 1.00 13.44 N ATOM 1238 CA TYR A 88 11.548 4.059 -11.375 1.00 55.23 C ATOM 1239 C TYR A 88 10.461 4.815 -12.135 1.00 5.34 C ATOM 1240 O TYR A 88 10.683 5.295 -13.246 1.00 71.20 O ATOM 1241 CB TYR A 88 12.927 4.578 -11.785 1.00 50.23 C ATOM 1242 CG TYR A 88 14.068 3.715 -11.298 1.00 34.24 C ATOM 1243 CD1 TYR A 88 14.282 3.512 -9.940 1.00 43.23 C ATOM 1244 CD2 TYR A 88 14.933 3.100 -12.196 1.00 54.13 C ATOM 1245 CE1 TYR A 88 15.324 2.724 -9.491 1.00 24.05 C ATOM 1246 CE2 TYR A 88 15.976 2.309 -11.756 1.00 10.14 C ATOM 1247 CZ TYR A 88 16.168 2.124 -10.403 1.00 11.53 C ATOM 1248 OH TYR A 88 17.207 1.338 -9.960 1.00 34.30 O ATOM 0 H TYR A 88 11.430 2.053 -10.777 1.00 13.44 H new ATOM 0 HA TYR A 88 11.406 4.229 -10.308 1.00 55.23 H new ATOM 0 HB2 TYR A 88 12.972 4.646 -12.872 1.00 50.23 H new ATOM 0 HB3 TYR A 88 13.056 5.589 -11.397 1.00 50.23 H new ATOM 0 HD1 TYR A 88 13.622 3.978 -9.223 1.00 43.23 H new ATOM 0 HD2 TYR A 88 14.787 3.243 -13.256 1.00 54.13 H new ATOM 0 HE1 TYR A 88 15.477 2.578 -8.432 1.00 24.05 H new ATOM 0 HE2 TYR A 88 16.638 1.838 -12.468 1.00 10.14 H new ATOM 0 HH TYR A 88 16.943 0.881 -9.134 1.00 34.30 H new ATOM 1257 N PHE A 89 9.284 4.916 -11.525 1.00 23.12 N ATOM 1258 CA PHE A 89 8.162 5.613 -12.143 1.00 3.41 C ATOM 1259 C PHE A 89 8.223 7.109 -11.849 1.00 50.30 C ATOM 1260 O PHE A 89 9.187 7.600 -11.265 1.00 3.13 O ATOM 1261 CB PHE A 89 6.837 5.037 -11.638 1.00 31.51 C ATOM 1262 CG PHE A 89 6.622 3.601 -12.026 1.00 42.55 C ATOM 1263 CD1 PHE A 89 6.532 3.236 -13.360 1.00 3.45 C ATOM 1264 CD2 PHE A 89 6.510 2.618 -11.056 1.00 12.53 C ATOM 1265 CE1 PHE A 89 6.334 1.916 -13.717 1.00 34.12 C ATOM 1266 CE2 PHE A 89 6.312 1.297 -11.408 1.00 34.31 C ATOM 1267 CZ PHE A 89 6.224 0.945 -12.742 1.00 24.13 C ATOM 0 H PHE A 89 9.083 4.525 -10.605 1.00 23.12 H new ATOM 0 HA PHE A 89 8.226 5.469 -13.222 1.00 3.41 H new ATOM 0 HB2 PHE A 89 6.804 5.121 -10.552 1.00 31.51 H new ATOM 0 HB3 PHE A 89 6.016 5.638 -12.029 1.00 31.51 H new ATOM 0 HD1 PHE A 89 6.617 3.991 -14.128 1.00 3.45 H new ATOM 0 HD2 PHE A 89 6.578 2.888 -10.012 1.00 12.53 H new ATOM 0 HE1 PHE A 89 6.265 1.644 -14.760 1.00 34.12 H new ATOM 0 HE2 PHE A 89 6.226 0.540 -10.642 1.00 34.31 H new ATOM 0 HZ PHE A 89 6.070 -0.087 -13.021 1.00 24.13 H new ATOM 1276 N GLY A 90 7.184 7.830 -12.260 1.00 13.21 N ATOM 1277 CA GLY A 90 7.138 9.262 -12.034 1.00 51.11 C ATOM 1278 C GLY A 90 6.952 9.613 -10.571 1.00 22.11 C ATOM 1279 O GLY A 90 7.866 10.130 -9.928 1.00 74.32 O ATOM 0 H GLY A 90 6.373 7.447 -12.746 1.00 13.21 H new ATOM 0 HA2 GLY A 90 8.061 9.714 -12.398 1.00 51.11 H new ATOM 0 HA3 GLY A 90 6.322 9.692 -12.614 1.00 51.11 H new ATOM 1283 N SER A 91 5.765 9.332 -10.043 1.00 43.11 N ATOM 1284 CA SER A 91 5.461 9.626 -8.647 1.00 72.12 C ATOM 1285 C SER A 91 4.603 8.523 -8.034 1.00 53.11 C ATOM 1286 O SER A 91 4.221 7.569 -8.713 1.00 54.41 O ATOM 1287 CB SER A 91 4.741 10.971 -8.533 1.00 3.30 C ATOM 1288 OG SER A 91 5.546 11.924 -7.861 1.00 52.54 O ATOM 0 H SER A 91 4.998 8.901 -10.560 1.00 43.11 H new ATOM 0 HA SER A 91 6.402 9.678 -8.099 1.00 72.12 H new ATOM 0 HB2 SER A 91 4.491 11.339 -9.528 1.00 3.30 H new ATOM 0 HB3 SER A 91 3.802 10.840 -7.996 1.00 3.30 H new ATOM 0 HG SER A 91 5.065 12.776 -7.802 1.00 52.54 H new ATOM 1293 N LEU A 92 4.305 8.662 -6.748 1.00 15.02 N ATOM 1294 CA LEU A 92 3.491 7.677 -6.041 1.00 1.03 C ATOM 1295 C LEU A 92 2.177 7.429 -6.774 1.00 72.33 C ATOM 1296 O LEU A 92 1.677 6.305 -6.809 1.00 30.54 O ATOM 1297 CB LEU A 92 3.211 8.150 -4.614 1.00 30.13 C ATOM 1298 CG LEU A 92 4.263 7.783 -3.566 1.00 61.33 C ATOM 1299 CD1 LEU A 92 3.887 8.356 -2.209 1.00 41.11 C ATOM 1300 CD2 LEU A 92 4.430 6.273 -3.482 1.00 41.35 C ATOM 0 H LEU A 92 4.614 9.446 -6.173 1.00 15.02 H new ATOM 0 HA LEU A 92 4.047 6.740 -6.005 1.00 1.03 H new ATOM 0 HB2 LEU A 92 3.103 9.235 -4.627 1.00 30.13 H new ATOM 0 HB3 LEU A 92 2.253 7.738 -4.298 1.00 30.13 H new ATOM 0 HG LEU A 92 5.216 8.217 -3.869 1.00 61.33 H new ATOM 0 HD11 LEU A 92 4.647 8.085 -1.476 1.00 41.11 H new ATOM 0 HD12 LEU A 92 3.821 9.442 -2.278 1.00 41.11 H new ATOM 0 HD13 LEU A 92 2.923 7.953 -1.898 1.00 41.11 H new ATOM 0 HD21 LEU A 92 5.182 6.031 -2.731 1.00 41.35 H new ATOM 0 HD22 LEU A 92 3.480 5.817 -3.204 1.00 41.35 H new ATOM 0 HD23 LEU A 92 4.747 5.888 -4.451 1.00 41.35 H new ATOM 1311 N SER A 93 1.625 8.485 -7.362 1.00 42.51 N ATOM 1312 CA SER A 93 0.367 8.383 -8.093 1.00 33.45 C ATOM 1313 C SER A 93 0.555 7.596 -9.388 1.00 13.24 C ATOM 1314 O SER A 93 -0.336 6.864 -9.816 1.00 31.45 O ATOM 1315 CB SER A 93 -0.181 9.776 -8.405 1.00 73.23 C ATOM 1316 OG SER A 93 -1.233 10.120 -7.520 1.00 23.31 O ATOM 0 H SER A 93 2.029 9.421 -7.347 1.00 42.51 H new ATOM 0 HA SER A 93 -0.348 7.852 -7.465 1.00 33.45 H new ATOM 0 HB2 SER A 93 0.620 10.511 -8.326 1.00 73.23 H new ATOM 0 HB3 SER A 93 -0.542 9.806 -9.433 1.00 73.23 H new ATOM 0 HG SER A 93 -1.565 11.016 -7.739 1.00 23.31 H new ATOM 1321 N ALA A 94 1.722 7.753 -10.004 1.00 42.13 N ATOM 1322 CA ALA A 94 2.028 7.058 -11.248 1.00 21.04 C ATOM 1323 C ALA A 94 2.136 5.554 -11.023 1.00 35.41 C ATOM 1324 O ALA A 94 1.589 4.760 -11.789 1.00 54.12 O ATOM 1325 CB ALA A 94 3.317 7.597 -11.851 1.00 30.04 C ATOM 0 H ALA A 94 2.471 8.355 -9.662 1.00 42.13 H new ATOM 0 HA ALA A 94 1.211 7.237 -11.946 1.00 21.04 H new ATOM 0 HB1 ALA A 94 3.533 7.069 -12.780 1.00 30.04 H new ATOM 0 HB2 ALA A 94 3.205 8.662 -12.057 1.00 30.04 H new ATOM 0 HB3 ALA A 94 4.137 7.447 -11.149 1.00 30.04 H new ATOM 1331 N LEU A 95 2.846 5.167 -9.968 1.00 51.13 N ATOM 1332 CA LEU A 95 3.026 3.757 -9.643 1.00 10.41 C ATOM 1333 C LEU A 95 1.735 3.155 -9.096 1.00 61.22 C ATOM 1334 O LEU A 95 1.465 1.968 -9.280 1.00 20.21 O ATOM 1335 CB LEU A 95 4.152 3.588 -8.622 1.00 62.32 C ATOM 1336 CG LEU A 95 4.032 4.423 -7.346 1.00 61.11 C ATOM 1337 CD1 LEU A 95 3.151 3.717 -6.327 1.00 75.53 C ATOM 1338 CD2 LEU A 95 5.408 4.703 -6.761 1.00 44.14 C ATOM 0 H LEU A 95 3.306 5.810 -9.324 1.00 51.13 H new ATOM 0 HA LEU A 95 3.292 3.230 -10.559 1.00 10.41 H new ATOM 0 HB2 LEU A 95 4.205 2.536 -8.340 1.00 62.32 H new ATOM 0 HB3 LEU A 95 5.096 3.836 -9.107 1.00 62.32 H new ATOM 0 HG LEU A 95 3.567 5.375 -7.600 1.00 61.11 H new ATOM 0 HD11 LEU A 95 3.077 4.326 -5.426 1.00 75.53 H new ATOM 0 HD12 LEU A 95 2.156 3.568 -6.747 1.00 75.53 H new ATOM 0 HD13 LEU A 95 3.587 2.750 -6.077 1.00 75.53 H new ATOM 0 HD21 LEU A 95 5.303 5.298 -5.854 1.00 44.14 H new ATOM 0 HD22 LEU A 95 5.900 3.760 -6.522 1.00 44.14 H new ATOM 0 HD23 LEU A 95 6.008 5.251 -7.488 1.00 44.14 H new ATOM 1349 N VAL A 96 0.940 3.982 -8.426 1.00 3.22 N ATOM 1350 CA VAL A 96 -0.325 3.533 -7.855 1.00 73.22 C ATOM 1351 C VAL A 96 -1.345 3.235 -8.948 1.00 13.11 C ATOM 1352 O VAL A 96 -2.067 2.240 -8.882 1.00 72.45 O ATOM 1353 CB VAL A 96 -0.911 4.583 -6.892 1.00 73.23 C ATOM 1354 CG1 VAL A 96 -2.421 4.435 -6.796 1.00 34.13 C ATOM 1355 CG2 VAL A 96 -0.266 4.465 -5.520 1.00 30.24 C ATOM 0 H VAL A 96 1.149 4.967 -8.265 1.00 3.22 H new ATOM 0 HA VAL A 96 -0.115 2.619 -7.299 1.00 73.22 H new ATOM 0 HB VAL A 96 -0.692 5.575 -7.286 1.00 73.23 H new ATOM 0 HG11 VAL A 96 -2.817 5.185 -6.111 1.00 34.13 H new ATOM 0 HG12 VAL A 96 -2.864 4.574 -7.782 1.00 34.13 H new ATOM 0 HG13 VAL A 96 -2.666 3.440 -6.425 1.00 34.13 H new ATOM 0 HG21 VAL A 96 -0.692 5.214 -4.852 1.00 30.24 H new ATOM 0 HG22 VAL A 96 -0.452 3.470 -5.115 1.00 30.24 H new ATOM 0 HG23 VAL A 96 0.808 4.626 -5.608 1.00 30.24 H new ATOM 1365 N SER A 97 -1.400 4.105 -9.952 1.00 12.35 N ATOM 1366 CA SER A 97 -2.335 3.936 -11.058 1.00 42.24 C ATOM 1367 C SER A 97 -1.907 2.785 -11.961 1.00 32.42 C ATOM 1368 O SER A 97 -2.740 2.014 -12.440 1.00 45.05 O ATOM 1369 CB SER A 97 -2.432 5.228 -11.872 1.00 3.41 C ATOM 1370 OG SER A 97 -2.840 6.315 -11.058 1.00 25.22 O ATOM 0 H SER A 97 -0.809 4.933 -10.022 1.00 12.35 H new ATOM 0 HA SER A 97 -3.314 3.702 -10.641 1.00 42.24 H new ATOM 0 HB2 SER A 97 -1.465 5.451 -12.323 1.00 3.41 H new ATOM 0 HB3 SER A 97 -3.142 5.095 -12.688 1.00 3.41 H new ATOM 0 HG SER A 97 -2.079 6.630 -10.528 1.00 25.22 H new ATOM 1375 N GLN A 98 -0.602 2.673 -12.189 1.00 61.13 N ATOM 1376 CA GLN A 98 -0.063 1.615 -13.036 1.00 63.32 C ATOM 1377 C GLN A 98 -0.160 0.260 -12.343 1.00 4.11 C ATOM 1378 O GLN A 98 -0.288 -0.775 -12.996 1.00 52.13 O ATOM 1379 CB GLN A 98 1.395 1.914 -13.395 1.00 53.43 C ATOM 1380 CG GLN A 98 1.578 2.421 -14.816 1.00 23.41 C ATOM 1381 CD GLN A 98 0.963 1.498 -15.850 1.00 30.53 C ATOM 1382 OE1 GLN A 98 1.461 0.398 -16.090 1.00 15.11 O ATOM 1383 NE2 GLN A 98 -0.126 1.942 -16.467 1.00 31.11 N ATOM 0 H GLN A 98 0.101 3.301 -11.799 1.00 61.13 H new ATOM 0 HA GLN A 98 -0.656 1.578 -13.950 1.00 63.32 H new ATOM 0 HB2 GLN A 98 1.787 2.656 -12.700 1.00 53.43 H new ATOM 0 HB3 GLN A 98 1.987 1.008 -13.262 1.00 53.43 H new ATOM 0 HG2 GLN A 98 1.129 3.410 -14.905 1.00 23.41 H new ATOM 0 HG3 GLN A 98 2.642 2.534 -15.023 1.00 23.41 H new ATOM 0 HE21 GLN A 98 -0.504 2.861 -16.236 1.00 31.11 H new ATOM 0 HE22 GLN A 98 -0.584 1.364 -17.172 1.00 31.11 H new ATOM 1390 N HIS A 99 -0.098 0.274 -11.015 1.00 70.12 N ATOM 1391 CA HIS A 99 -0.179 -0.954 -10.233 1.00 1.15 C ATOM 1392 C HIS A 99 -1.490 -1.686 -10.506 1.00 31.14 C ATOM 1393 O HIS A 99 -1.604 -2.887 -10.258 1.00 51.43 O ATOM 1394 CB HIS A 99 -0.057 -0.643 -8.741 1.00 1.51 C ATOM 1395 CG HIS A 99 1.345 -0.729 -8.223 1.00 61.33 C ATOM 1396 ND1 HIS A 99 1.662 -0.618 -6.886 1.00 21.33 N ATOM 1397 CD2 HIS A 99 2.517 -0.920 -8.872 1.00 62.55 C ATOM 1398 CE1 HIS A 99 2.970 -0.735 -6.735 1.00 41.43 C ATOM 1399 NE2 HIS A 99 3.512 -0.918 -7.925 1.00 34.23 N ATOM 0 H HIS A 99 0.008 1.122 -10.458 1.00 70.12 H new ATOM 0 HA HIS A 99 0.647 -1.600 -10.530 1.00 1.15 H new ATOM 0 HB2 HIS A 99 -0.443 0.359 -8.555 1.00 1.51 H new ATOM 0 HB3 HIS A 99 -0.685 -1.336 -8.181 1.00 1.51 H new ATOM 0 HD1 HIS A 99 0.992 -0.469 -6.131 1.00 21.33 H new ATOM 0 HD2 HIS A 99 2.646 -1.050 -9.936 1.00 62.55 H new ATOM 0 HE1 HIS A 99 3.504 -0.689 -5.798 1.00 41.43 H new ATOM 1406 N SER A 100 -2.475 -0.955 -11.019 1.00 32.12 N ATOM 1407 CA SER A 100 -3.778 -1.534 -11.321 1.00 74.40 C ATOM 1408 C SER A 100 -3.796 -2.126 -12.728 1.00 1.21 C ATOM 1409 O SER A 100 -4.836 -2.575 -13.210 1.00 71.34 O ATOM 1410 CB SER A 100 -4.874 -0.476 -11.187 1.00 41.24 C ATOM 1411 OG SER A 100 -5.246 0.037 -12.455 1.00 23.14 O ATOM 0 H SER A 100 -2.395 0.039 -11.234 1.00 32.12 H new ATOM 0 HA SER A 100 -3.967 -2.334 -10.606 1.00 74.40 H new ATOM 0 HB2 SER A 100 -5.745 -0.911 -10.697 1.00 41.24 H new ATOM 0 HB3 SER A 100 -4.523 0.337 -10.551 1.00 41.24 H new ATOM 0 HG SER A 100 -4.613 0.735 -12.724 1.00 23.14 H new ATOM 1416 N ILE A 101 -2.639 -2.122 -13.379 1.00 63.32 N ATOM 1417 CA ILE A 101 -2.521 -2.658 -14.730 1.00 25.33 C ATOM 1418 C ILE A 101 -1.331 -3.607 -14.842 1.00 14.41 C ATOM 1419 O ILE A 101 -1.408 -4.638 -15.511 1.00 60.21 O ATOM 1420 CB ILE A 101 -2.366 -1.534 -15.771 1.00 4.33 C ATOM 1421 CG1 ILE A 101 -3.555 -0.574 -15.697 1.00 2.22 C ATOM 1422 CG2 ILE A 101 -2.237 -2.120 -17.169 1.00 3.52 C ATOM 1423 CD1 ILE A 101 -3.343 0.711 -16.467 1.00 73.31 C ATOM 0 H ILE A 101 -1.769 -1.754 -12.994 1.00 63.32 H new ATOM 0 HA ILE A 101 -3.441 -3.206 -14.934 1.00 25.33 H new ATOM 0 HB ILE A 101 -1.457 -0.975 -15.548 1.00 4.33 H new ATOM 0 HG12 ILE A 101 -4.442 -1.077 -16.082 1.00 2.22 H new ATOM 0 HG13 ILE A 101 -3.753 -0.334 -14.652 1.00 2.22 H new ATOM 0 HG21 ILE A 101 -2.128 -1.313 -17.893 1.00 3.52 H new ATOM 0 HG22 ILE A 101 -1.361 -2.767 -17.213 1.00 3.52 H new ATOM 0 HG23 ILE A 101 -3.129 -2.700 -17.404 1.00 3.52 H new ATOM 0 HD11 ILE A 101 -4.226 1.343 -16.370 1.00 73.31 H new ATOM 0 HD12 ILE A 101 -2.475 1.236 -16.067 1.00 73.31 H new ATOM 0 HD13 ILE A 101 -3.175 0.481 -17.519 1.00 73.31 H new ATOM 1434 N SER A 102 -0.234 -3.252 -14.183 1.00 4.13 N ATOM 1435 CA SER A 102 0.972 -4.071 -14.210 1.00 45.21 C ATOM 1436 C SER A 102 1.700 -4.012 -12.870 1.00 12.13 C ATOM 1437 O SER A 102 2.670 -3.275 -12.693 1.00 41.54 O ATOM 1438 CB SER A 102 1.906 -3.606 -15.329 1.00 54.53 C ATOM 1439 OG SER A 102 1.450 -4.058 -16.593 1.00 21.11 O ATOM 0 H SER A 102 -0.155 -2.403 -13.624 1.00 4.13 H new ATOM 0 HA SER A 102 0.675 -5.103 -14.398 1.00 45.21 H new ATOM 0 HB2 SER A 102 1.966 -2.518 -15.328 1.00 54.53 H new ATOM 0 HB3 SER A 102 2.913 -3.981 -15.146 1.00 54.53 H new ATOM 0 HG SER A 102 0.560 -4.456 -16.496 1.00 21.11 H new ATOM 1444 N PRO A 103 1.220 -4.807 -11.901 1.00 32.51 N ATOM 1445 CA PRO A 103 1.809 -4.865 -10.560 1.00 54.33 C ATOM 1446 C PRO A 103 3.183 -5.526 -10.559 1.00 4.12 C ATOM 1447 O PRO A 103 3.373 -6.586 -11.155 1.00 3.30 O ATOM 1448 CB PRO A 103 0.807 -5.710 -9.770 1.00 25.52 C ATOM 1449 CG PRO A 103 0.128 -6.550 -10.796 1.00 10.41 C ATOM 1450 CD PRO A 103 0.067 -5.712 -12.042 1.00 32.24 C ATOM 0 HA PRO A 103 1.972 -3.872 -10.142 1.00 54.33 H new ATOM 0 HB2 PRO A 103 1.310 -6.325 -9.024 1.00 25.52 H new ATOM 0 HB3 PRO A 103 0.093 -5.082 -9.237 1.00 25.52 H new ATOM 0 HG2 PRO A 103 0.681 -7.473 -10.973 1.00 10.41 H new ATOM 0 HG3 PRO A 103 -0.872 -6.835 -10.468 1.00 10.41 H new ATOM 0 HD2 PRO A 103 0.143 -6.323 -12.941 1.00 32.24 H new ATOM 0 HD3 PRO A 103 -0.871 -5.161 -12.110 1.00 32.24 H new ATOM 1455 N ILE A 104 4.138 -4.893 -9.884 1.00 50.12 N ATOM 1456 CA ILE A 104 5.494 -5.422 -9.804 1.00 3.54 C ATOM 1457 C ILE A 104 5.671 -6.296 -8.566 1.00 74.03 C ATOM 1458 O ILE A 104 5.751 -7.520 -8.665 1.00 62.43 O ATOM 1459 CB ILE A 104 6.538 -4.290 -9.772 1.00 72.31 C ATOM 1460 CG1 ILE A 104 6.423 -3.426 -11.030 1.00 24.01 C ATOM 1461 CG2 ILE A 104 7.940 -4.866 -9.645 1.00 31.00 C ATOM 1462 CD1 ILE A 104 6.771 -4.164 -12.304 1.00 71.22 C ATOM 0 H ILE A 104 3.997 -4.014 -9.385 1.00 50.12 H new ATOM 0 HA ILE A 104 5.651 -6.026 -10.698 1.00 3.54 H new ATOM 0 HB ILE A 104 6.345 -3.661 -8.903 1.00 72.31 H new ATOM 0 HG12 ILE A 104 5.405 -3.045 -11.107 1.00 24.01 H new ATOM 0 HG13 ILE A 104 7.080 -2.562 -10.929 1.00 24.01 H new ATOM 0 HG21 ILE A 104 8.667 -4.054 -9.624 1.00 31.00 H new ATOM 0 HG22 ILE A 104 8.014 -5.443 -8.723 1.00 31.00 H new ATOM 0 HG23 ILE A 104 8.146 -5.514 -10.497 1.00 31.00 H new ATOM 0 HD11 ILE A 104 6.667 -3.490 -13.155 1.00 71.22 H new ATOM 0 HD12 ILE A 104 7.799 -4.522 -12.248 1.00 71.22 H new ATOM 0 HD13 ILE A 104 6.098 -5.012 -12.429 1.00 71.22 H new ATOM 1473 N SER A 105 5.729 -5.658 -7.402 1.00 53.33 N ATOM 1474 CA SER A 105 5.898 -6.378 -6.144 1.00 51.14 C ATOM 1475 C SER A 105 4.548 -6.646 -5.487 1.00 23.14 C ATOM 1476 O SER A 105 4.421 -6.600 -4.262 1.00 31.03 O ATOM 1477 CB SER A 105 6.792 -5.580 -5.193 1.00 5.02 C ATOM 1478 OG SER A 105 6.074 -4.521 -4.584 1.00 71.02 O ATOM 0 H SER A 105 5.662 -4.645 -7.303 1.00 53.33 H new ATOM 0 HA SER A 105 6.373 -7.335 -6.361 1.00 51.14 H new ATOM 0 HB2 SER A 105 7.192 -6.241 -4.424 1.00 5.02 H new ATOM 0 HB3 SER A 105 7.644 -5.178 -5.742 1.00 5.02 H new ATOM 0 HG SER A 105 5.442 -4.887 -3.931 1.00 71.02 H new ATOM 1483 N LEU A 106 3.542 -6.926 -6.308 1.00 2.21 N ATOM 1484 CA LEU A 106 2.200 -7.202 -5.807 1.00 41.10 C ATOM 1485 C LEU A 106 1.652 -8.495 -6.403 1.00 5.22 C ATOM 1486 O LEU A 106 2.044 -8.922 -7.489 1.00 50.51 O ATOM 1487 CB LEU A 106 1.262 -6.039 -6.134 1.00 74.33 C ATOM 1488 CG LEU A 106 1.895 -4.647 -6.138 1.00 14.32 C ATOM 1489 CD1 LEU A 106 0.882 -3.601 -6.575 1.00 1.34 C ATOM 1490 CD2 LEU A 106 2.451 -4.311 -4.761 1.00 75.35 C ATOM 0 H LEU A 106 3.630 -6.968 -7.323 1.00 2.21 H new ATOM 0 HA LEU A 106 2.260 -7.318 -4.725 1.00 41.10 H new ATOM 0 HB2 LEU A 106 0.821 -6.219 -7.115 1.00 74.33 H new ATOM 0 HB3 LEU A 106 0.445 -6.043 -5.412 1.00 74.33 H new ATOM 0 HG LEU A 106 2.719 -4.645 -6.852 1.00 14.32 H new ATOM 0 HD11 LEU A 106 1.351 -2.617 -6.572 1.00 1.34 H new ATOM 0 HD12 LEU A 106 0.531 -3.832 -7.581 1.00 1.34 H new ATOM 0 HD13 LEU A 106 0.037 -3.603 -5.886 1.00 1.34 H new ATOM 0 HD21 LEU A 106 2.898 -3.317 -4.782 1.00 75.35 H new ATOM 0 HD22 LEU A 106 1.644 -4.331 -4.028 1.00 75.35 H new ATOM 0 HD23 LEU A 106 3.209 -5.044 -4.486 1.00 75.35 H new ATOM 1501 N PRO A 107 0.723 -9.135 -5.676 1.00 64.01 N ATOM 1502 CA PRO A 107 0.099 -10.387 -6.115 1.00 4.42 C ATOM 1503 C PRO A 107 -0.829 -10.185 -7.307 1.00 13.32 C ATOM 1504 O PRO A 107 -0.839 -10.988 -8.240 1.00 34.33 O ATOM 1505 CB PRO A 107 -0.697 -10.835 -4.886 1.00 23.21 C ATOM 1506 CG PRO A 107 -0.976 -9.579 -4.136 1.00 45.11 C ATOM 1507 CD PRO A 107 0.209 -8.684 -4.372 1.00 21.20 C ATOM 0 HA PRO A 107 0.837 -11.115 -6.451 1.00 4.42 H new ATOM 0 HB2 PRO A 107 -1.620 -11.337 -5.174 1.00 23.21 H new ATOM 0 HB3 PRO A 107 -0.127 -11.539 -4.280 1.00 23.21 H new ATOM 0 HG2 PRO A 107 -1.895 -9.110 -4.488 1.00 45.11 H new ATOM 0 HG3 PRO A 107 -1.107 -9.780 -3.073 1.00 45.11 H new ATOM 0 HD2 PRO A 107 -0.080 -7.633 -4.395 1.00 21.20 H new ATOM 0 HD3 PRO A 107 0.957 -8.792 -3.586 1.00 21.20 H new ATOM 1512 N CYS A 108 -1.609 -9.111 -7.269 1.00 44.14 N ATOM 1513 CA CYS A 108 -2.542 -8.803 -8.347 1.00 13.02 C ATOM 1514 C CYS A 108 -2.683 -7.297 -8.532 1.00 60.44 C ATOM 1515 O CYS A 108 -2.269 -6.514 -7.676 1.00 10.53 O ATOM 1516 CB CYS A 108 -3.909 -9.424 -8.056 1.00 54.23 C ATOM 1517 SG CYS A 108 -4.441 -10.645 -9.280 1.00 61.24 S ATOM 0 H CYS A 108 -1.614 -8.438 -6.503 1.00 44.14 H new ATOM 0 HA CYS A 108 -2.146 -9.227 -9.270 1.00 13.02 H new ATOM 0 HB2 CYS A 108 -3.879 -9.898 -7.075 1.00 54.23 H new ATOM 0 HB3 CYS A 108 -4.653 -8.629 -8.004 1.00 54.23 H new ATOM 0 HG CYS A 108 -5.606 -11.115 -8.946 1.00 61.24 H new ATOM 1522 N CYS A 109 -3.267 -6.896 -9.656 1.00 22.23 N ATOM 1523 CA CYS A 109 -3.460 -5.482 -9.956 1.00 22.01 C ATOM 1524 C CYS A 109 -4.260 -4.797 -8.852 1.00 55.11 C ATOM 1525 O CYS A 109 -5.304 -5.294 -8.427 1.00 53.02 O ATOM 1526 CB CYS A 109 -4.173 -5.316 -11.298 1.00 51.21 C ATOM 1527 SG CYS A 109 -3.388 -6.200 -12.666 1.00 64.32 S ATOM 0 H CYS A 109 -3.615 -7.531 -10.375 1.00 22.23 H new ATOM 0 HA CYS A 109 -2.479 -5.011 -10.015 1.00 22.01 H new ATOM 0 HB2 CYS A 109 -5.201 -5.665 -11.197 1.00 51.21 H new ATOM 0 HB3 CYS A 109 -4.219 -4.255 -11.544 1.00 51.21 H new ATOM 0 HG CYS A 109 -4.065 -6.000 -13.757 1.00 64.32 H new ATOM 1532 N LEU A 110 -3.764 -3.653 -8.392 1.00 0.44 N ATOM 1533 CA LEU A 110 -4.433 -2.900 -7.336 1.00 73.35 C ATOM 1534 C LEU A 110 -5.850 -2.519 -7.752 1.00 70.40 C ATOM 1535 O LEU A 110 -6.135 -2.350 -8.938 1.00 64.13 O ATOM 1536 CB LEU A 110 -3.633 -1.641 -6.997 1.00 13.04 C ATOM 1537 CG LEU A 110 -4.206 -0.760 -5.887 1.00 13.54 C ATOM 1538 CD1 LEU A 110 -4.331 -1.547 -4.591 1.00 33.33 C ATOM 1539 CD2 LEU A 110 -3.339 0.473 -5.682 1.00 54.05 C ATOM 0 H LEU A 110 -2.902 -3.227 -8.733 1.00 0.44 H new ATOM 0 HA LEU A 110 -4.493 -3.535 -6.452 1.00 73.35 H new ATOM 0 HB2 LEU A 110 -2.625 -1.941 -6.711 1.00 13.04 H new ATOM 0 HB3 LEU A 110 -3.542 -1.039 -7.901 1.00 13.04 H new ATOM 0 HG LEU A 110 -5.202 -0.433 -6.188 1.00 13.54 H new ATOM 0 HD11 LEU A 110 -4.741 -0.903 -3.813 1.00 33.33 H new ATOM 0 HD12 LEU A 110 -4.995 -2.398 -4.745 1.00 33.33 H new ATOM 0 HD13 LEU A 110 -3.347 -1.904 -4.286 1.00 33.33 H new ATOM 0 HD21 LEU A 110 -3.763 1.088 -4.888 1.00 54.05 H new ATOM 0 HD22 LEU A 110 -2.330 0.167 -5.405 1.00 54.05 H new ATOM 0 HD23 LEU A 110 -3.302 1.049 -6.606 1.00 54.05 H new ATOM 1550 N ARG A 111 -6.734 -2.384 -6.770 1.00 41.11 N ATOM 1551 CA ARG A 111 -8.121 -2.022 -7.033 1.00 60.43 C ATOM 1552 C ARG A 111 -8.399 -0.584 -6.605 1.00 23.31 C ATOM 1553 O ARG A 111 -8.389 -0.268 -5.415 1.00 61.31 O ATOM 1554 CB ARG A 111 -9.068 -2.975 -6.302 1.00 65.30 C ATOM 1555 CG ARG A 111 -9.240 -4.315 -6.997 1.00 31.42 C ATOM 1556 CD ARG A 111 -7.993 -5.176 -6.865 1.00 4.34 C ATOM 1557 NE ARG A 111 -8.302 -6.513 -6.361 1.00 64.43 N ATOM 1558 CZ ARG A 111 -7.378 -7.431 -6.101 1.00 13.41 C ATOM 1559 NH1 ARG A 111 -6.095 -7.159 -6.295 1.00 2.43 N ATOM 1560 NH2 ARG A 111 -7.738 -8.625 -5.645 1.00 61.14 N ATOM 0 H ARG A 111 -6.514 -2.520 -5.783 1.00 41.11 H new ATOM 0 HA ARG A 111 -8.293 -2.103 -8.106 1.00 60.43 H new ATOM 0 HB2 ARG A 111 -8.692 -3.144 -5.293 1.00 65.30 H new ATOM 0 HB3 ARG A 111 -10.044 -2.499 -6.203 1.00 65.30 H new ATOM 0 HG2 ARG A 111 -10.093 -4.841 -6.569 1.00 31.42 H new ATOM 0 HG3 ARG A 111 -9.462 -4.153 -8.052 1.00 31.42 H new ATOM 0 HD2 ARG A 111 -7.505 -5.258 -7.836 1.00 4.34 H new ATOM 0 HD3 ARG A 111 -7.286 -4.690 -6.193 1.00 4.34 H new ATOM 0 HE ARG A 111 -9.280 -6.754 -6.200 1.00 64.43 H new ATOM 0 HH11 ARG A 111 -5.815 -6.243 -6.645 1.00 2.43 H new ATOM 0 HH12 ARG A 111 -5.388 -7.866 -6.094 1.00 2.43 H new ATOM 0 HH21 ARG A 111 -8.724 -8.837 -5.494 1.00 61.14 H new ATOM 0 HH22 ARG A 111 -7.028 -9.330 -5.445 1.00 61.14 H new