USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 583 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 48 THR OG1 : rot 131:sc= 0.607 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0.00529 USER MOD Set 2.1: A 27 HIS : no HD1:sc= 0.849 K(o=1.8,f=-1) USER MOD Set 2.2: A 57 TYR OH : rot 100:sc= 0.942 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.175 USER MOD Single : A 14 ASN : amide:sc= -0.567 K(o=-0.57,f=-2!) USER MOD Single : A 15 SER OG : rot 150:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.193 K(o=-0.19,f=-3.5!) USER MOD Single : A 26 MET CE :methyl -127:sc=-0.00255 (180deg=-0.189) USER MOD Single : A 28 CYS SG : rot -9:sc= -1.51 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0462 X(o=-0.046,f=-0.072) USER MOD Single : A 37 GLN : amide:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl -149:sc= -0.182 (180deg=-1.81) USER MOD Single : A 66 ASN : amide:sc= -4.67! C(o=-4.7!,f=-9.8!) USER MOD Single : A 69 CYS SG : rot 64:sc= 0.00649 USER MOD Single : A 72 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.585) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 -8.344 2.174 -10.554 1.00 0.00 N ATOM 67 CA MET A 8 -7.467 1.764 -9.464 1.00 0.00 C ATOM 68 C MET A 8 -8.278 1.270 -8.270 1.00 0.00 C ATOM 69 O MET A 8 -8.363 0.068 -8.020 1.00 0.00 O ATOM 70 CB MET A 8 -6.568 2.927 -9.039 1.00 0.00 C ATOM 71 CG MET A 8 -5.223 2.946 -9.747 1.00 0.00 C ATOM 72 SD MET A 8 -4.544 4.609 -9.903 1.00 0.00 S ATOM 73 CE MET A 8 -3.153 4.513 -8.780 1.00 0.00 C ATOM 0 HA MET A 8 -6.844 0.944 -9.821 1.00 0.00 H new ATOM 0 HB2 MET A 8 -7.086 3.866 -9.235 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.402 2.873 -7.963 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.519 2.320 -9.198 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.333 2.508 -10.739 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.630 5.469 -8.766 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.511 4.281 -7.777 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.471 3.731 -9.112 1.00 0.00 H new ATOM 83 N ILE A 9 -8.872 2.206 -7.536 1.00 0.00 N ATOM 84 CA ILE A 9 -9.676 1.865 -6.370 1.00 0.00 C ATOM 85 C ILE A 9 -10.588 0.677 -6.659 1.00 0.00 C ATOM 86 O ILE A 9 -10.538 -0.339 -5.968 1.00 0.00 O ATOM 87 CB ILE A 9 -10.536 3.058 -5.911 1.00 0.00 C ATOM 88 CG1 ILE A 9 -9.656 4.286 -5.669 1.00 0.00 C ATOM 89 CG2 ILE A 9 -11.311 2.698 -4.652 1.00 0.00 C ATOM 90 CD1 ILE A 9 -9.472 5.149 -6.898 1.00 0.00 C ATOM 0 H ILE A 9 -8.811 3.206 -7.729 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.980 1.601 -5.573 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.251 3.297 -6.699 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.097 4.888 -4.875 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.678 3.958 -5.315 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.914 3.551 -4.340 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.962 1.848 -4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.613 2.437 -3.857 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.838 6.001 -6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.003 4.562 -7.688 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.443 5.507 -7.240 1.00 0.00 H new ATOM 102 N ALA A 10 -11.419 0.813 -7.687 1.00 0.00 N ATOM 103 CA ALA A 10 -12.340 -0.250 -8.071 1.00 0.00 C ATOM 104 C ALA A 10 -11.634 -1.601 -8.105 1.00 0.00 C ATOM 105 O ALA A 10 -12.097 -2.569 -7.502 1.00 0.00 O ATOM 106 CB ALA A 10 -12.965 0.056 -9.424 1.00 0.00 C ATOM 0 H ALA A 10 -11.473 1.649 -8.269 1.00 0.00 H new ATOM 0 HA ALA A 10 -13.130 -0.301 -7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.650 -0.746 -9.698 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.512 0.997 -9.368 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.181 0.136 -10.177 1.00 0.00 H new ATOM 112 N ALA A 11 -10.512 -1.660 -8.815 1.00 0.00 N ATOM 113 CA ALA A 11 -9.742 -2.892 -8.926 1.00 0.00 C ATOM 114 C ALA A 11 -9.332 -3.410 -7.552 1.00 0.00 C ATOM 115 O ALA A 11 -9.696 -4.520 -7.162 1.00 0.00 O ATOM 116 CB ALA A 11 -8.513 -2.670 -9.796 1.00 0.00 C ATOM 0 H ALA A 11 -10.116 -0.868 -9.322 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.375 -3.645 -9.395 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.947 -3.599 -9.870 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.824 -2.354 -10.792 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.886 -1.898 -9.350 1.00 0.00 H new ATOM 122 N TYR A 12 -8.574 -2.601 -6.822 1.00 0.00 N ATOM 123 CA TYR A 12 -8.112 -2.979 -5.491 1.00 0.00 C ATOM 124 C TYR A 12 -9.282 -3.402 -4.609 1.00 0.00 C ATOM 125 O TYR A 12 -9.390 -4.564 -4.218 1.00 0.00 O ATOM 126 CB TYR A 12 -7.362 -1.816 -4.839 1.00 0.00 C ATOM 127 CG TYR A 12 -6.004 -1.553 -5.450 1.00 0.00 C ATOM 128 CD1 TYR A 12 -5.083 -2.581 -5.614 1.00 0.00 C ATOM 129 CD2 TYR A 12 -5.642 -0.277 -5.864 1.00 0.00 C ATOM 130 CE1 TYR A 12 -3.841 -2.345 -6.171 1.00 0.00 C ATOM 131 CE2 TYR A 12 -4.403 -0.032 -6.424 1.00 0.00 C ATOM 132 CZ TYR A 12 -3.506 -1.069 -6.574 1.00 0.00 C ATOM 133 OH TYR A 12 -2.270 -0.830 -7.131 1.00 0.00 O ATOM 0 H TYR A 12 -8.266 -1.678 -7.129 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.434 -3.826 -5.596 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.968 -0.914 -4.919 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.239 -2.024 -3.776 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.343 -3.581 -5.301 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.341 0.537 -5.746 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.136 -3.155 -6.290 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.138 0.966 -6.742 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.193 0.119 -7.361 1.00 0.00 H new ATOM 143 N GLU A 13 -10.157 -2.450 -4.300 1.00 0.00 N ATOM 144 CA GLU A 13 -11.320 -2.724 -3.463 1.00 0.00 C ATOM 145 C GLU A 13 -12.066 -3.960 -3.957 1.00 0.00 C ATOM 146 O GLU A 13 -12.640 -4.708 -3.167 1.00 0.00 O ATOM 147 CB GLU A 13 -12.261 -1.518 -3.449 1.00 0.00 C ATOM 148 CG GLU A 13 -13.076 -1.367 -4.723 1.00 0.00 C ATOM 149 CD GLU A 13 -14.260 -2.313 -4.775 1.00 0.00 C ATOM 150 OE1 GLU A 13 -15.080 -2.289 -3.833 1.00 0.00 O ATOM 151 OE2 GLU A 13 -14.366 -3.076 -5.758 1.00 0.00 O ATOM 0 H GLU A 13 -10.083 -1.483 -4.616 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.970 -2.914 -2.448 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.941 -1.608 -2.601 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.675 -0.612 -3.293 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.433 -0.340 -4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.433 -1.548 -5.584 1.00 0.00 H new ATOM 158 N ASN A 14 -12.053 -4.167 -5.270 1.00 0.00 N ATOM 159 CA ASN A 14 -12.730 -5.311 -5.870 1.00 0.00 C ATOM 160 C ASN A 14 -11.979 -6.605 -5.570 1.00 0.00 C ATOM 161 O ASN A 14 -12.589 -7.655 -5.365 1.00 0.00 O ATOM 162 CB ASN A 14 -12.855 -5.120 -7.383 1.00 0.00 C ATOM 163 CG ASN A 14 -13.281 -6.390 -8.093 1.00 0.00 C ATOM 164 OD1 ASN A 14 -12.512 -7.347 -8.191 1.00 0.00 O ATOM 165 ND2 ASN A 14 -14.511 -6.405 -8.593 1.00 0.00 N ATOM 0 H ASN A 14 -11.581 -3.558 -5.938 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.727 -5.381 -5.436 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -13.579 -4.332 -7.588 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.898 -4.786 -7.785 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.853 -7.232 -9.082 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -15.114 -5.589 -8.488 1.00 0.00 H new ATOM 172 N SER A 15 -10.653 -6.522 -5.547 1.00 0.00 N ATOM 173 CA SER A 15 -9.819 -7.687 -5.275 1.00 0.00 C ATOM 174 C SER A 15 -9.741 -7.962 -3.777 1.00 0.00 C ATOM 175 O SER A 15 -10.282 -7.209 -2.966 1.00 0.00 O ATOM 176 CB SER A 15 -8.413 -7.476 -5.840 1.00 0.00 C ATOM 177 OG SER A 15 -7.805 -8.713 -6.170 1.00 0.00 O ATOM 0 H SER A 15 -10.133 -5.660 -5.713 1.00 0.00 H new ATOM 0 HA SER A 15 -10.273 -8.550 -5.762 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.465 -6.845 -6.727 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.799 -6.949 -5.109 1.00 0.00 H new ATOM 0 HG SER A 15 -7.186 -8.584 -6.918 1.00 0.00 H new ATOM 183 N LYS A 16 -9.064 -9.047 -3.415 1.00 0.00 N ATOM 184 CA LYS A 16 -8.913 -9.423 -2.015 1.00 0.00 C ATOM 185 C LYS A 16 -7.440 -9.490 -1.625 1.00 0.00 C ATOM 186 O LYS A 16 -6.558 -9.369 -2.475 1.00 0.00 O ATOM 187 CB LYS A 16 -9.583 -10.774 -1.753 1.00 0.00 C ATOM 188 CG LYS A 16 -11.100 -10.720 -1.798 1.00 0.00 C ATOM 189 CD LYS A 16 -11.696 -12.070 -2.161 1.00 0.00 C ATOM 190 CE LYS A 16 -11.790 -12.250 -3.668 1.00 0.00 C ATOM 191 NZ LYS A 16 -12.504 -13.505 -4.033 1.00 0.00 N ATOM 0 H LYS A 16 -8.611 -9.681 -4.073 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.397 -8.660 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.231 -11.494 -2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.270 -11.142 -0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.482 -10.401 -0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.417 -9.974 -2.526 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.084 -12.865 -1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.689 -12.161 -1.720 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.309 -11.397 -4.104 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.787 -12.265 -4.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.547 -13.591 -5.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.995 -14.321 -3.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.469 -13.480 -3.647 1.00 0.00 H new ATOM 205 N TRP A 17 -7.181 -9.686 -0.337 1.00 0.00 N ATOM 206 CA TRP A 17 -5.814 -9.770 0.164 1.00 0.00 C ATOM 207 C TRP A 17 -5.067 -10.929 -0.488 1.00 0.00 C ATOM 208 O TRP A 17 -5.680 -11.876 -0.978 1.00 0.00 O ATOM 209 CB TRP A 17 -5.816 -9.939 1.684 1.00 0.00 C ATOM 210 CG TRP A 17 -4.441 -9.958 2.281 1.00 0.00 C ATOM 211 CD1 TRP A 17 -3.726 -8.883 2.727 1.00 0.00 C ATOM 212 CD2 TRP A 17 -3.615 -11.108 2.493 1.00 0.00 C ATOM 213 NE1 TRP A 17 -2.506 -9.296 3.205 1.00 0.00 N ATOM 214 CE2 TRP A 17 -2.414 -10.656 3.074 1.00 0.00 C ATOM 215 CE3 TRP A 17 -3.774 -12.475 2.252 1.00 0.00 C ATOM 216 CZ2 TRP A 17 -1.379 -11.524 3.414 1.00 0.00 C ATOM 217 CZ3 TRP A 17 -2.747 -13.335 2.590 1.00 0.00 C ATOM 218 CH2 TRP A 17 -1.562 -12.858 3.167 1.00 0.00 C ATOM 0 H TRP A 17 -7.900 -9.790 0.379 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.302 -8.842 -0.090 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.388 -9.126 2.132 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.328 -10.867 1.939 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.069 -7.859 2.707 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -1.785 -8.688 3.594 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.684 -12.853 1.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.465 -11.158 3.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.859 -14.393 2.406 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.778 -13.556 3.422 1.00 0.00 H new ATOM 229 N GLU A 18 -3.740 -10.845 -0.490 1.00 0.00 N ATOM 230 CA GLU A 18 -2.910 -11.887 -1.082 1.00 0.00 C ATOM 231 C GLU A 18 -1.584 -12.015 -0.339 1.00 0.00 C ATOM 232 O GLU A 18 -0.948 -11.025 0.023 1.00 0.00 O ATOM 233 CB GLU A 18 -2.653 -11.586 -2.560 1.00 0.00 C ATOM 234 CG GLU A 18 -1.917 -12.699 -3.289 1.00 0.00 C ATOM 235 CD GLU A 18 -2.836 -13.832 -3.702 1.00 0.00 C ATOM 236 OE1 GLU A 18 -3.896 -14.001 -3.063 1.00 0.00 O ATOM 237 OE2 GLU A 18 -2.495 -14.550 -4.666 1.00 0.00 O ATOM 0 H GLU A 18 -3.217 -10.066 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.445 -12.833 -0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.606 -11.406 -3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.074 -10.666 -2.639 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.431 -12.289 -4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.129 -13.091 -2.646 1.00 0.00 H new ATOM 244 N PRO A 19 -1.155 -13.265 -0.105 1.00 0.00 N ATOM 245 CA PRO A 19 0.099 -13.553 0.597 1.00 0.00 C ATOM 246 C PRO A 19 1.325 -13.182 -0.231 1.00 0.00 C ATOM 247 O PRO A 19 1.817 -13.986 -1.024 1.00 0.00 O ATOM 248 CB PRO A 19 0.041 -15.066 0.819 1.00 0.00 C ATOM 249 CG PRO A 19 -0.847 -15.575 -0.263 1.00 0.00 C ATOM 250 CD PRO A 19 -1.862 -14.492 -0.508 1.00 0.00 C ATOM 0 HA PRO A 19 0.193 -12.977 1.517 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.033 -15.513 0.759 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.358 -15.306 1.804 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.277 -15.788 -1.168 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.332 -16.505 0.035 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.166 -14.455 -1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.766 -14.647 0.081 1.00 0.00 H new ATOM 258 N VAL A 20 1.814 -11.961 -0.042 1.00 0.00 N ATOM 259 CA VAL A 20 2.984 -11.485 -0.770 1.00 0.00 C ATOM 260 C VAL A 20 4.018 -10.889 0.180 1.00 0.00 C ATOM 261 O VAL A 20 3.708 -10.004 0.977 1.00 0.00 O ATOM 262 CB VAL A 20 2.599 -10.427 -1.821 1.00 0.00 C ATOM 263 CG1 VAL A 20 1.704 -9.362 -1.204 1.00 0.00 C ATOM 264 CG2 VAL A 20 3.845 -9.801 -2.428 1.00 0.00 C ATOM 0 H VAL A 20 1.418 -11.283 0.609 1.00 0.00 H new ATOM 0 HA VAL A 20 3.415 -12.349 -1.276 1.00 0.00 H new ATOM 0 HB VAL A 20 2.042 -10.919 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.442 -8.623 -1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.795 -9.827 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.232 -8.872 -0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.554 -9.056 -3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.431 -9.323 -1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.444 -10.575 -2.908 1.00 0.00 H new ATOM 274 N LYS A 21 5.249 -11.381 0.089 1.00 0.00 N ATOM 275 CA LYS A 21 6.331 -10.898 0.938 1.00 0.00 C ATOM 276 C LYS A 21 6.785 -9.508 0.502 1.00 0.00 C ATOM 277 O LYS A 21 7.348 -9.341 -0.580 1.00 0.00 O ATOM 278 CB LYS A 21 7.513 -11.869 0.897 1.00 0.00 C ATOM 279 CG LYS A 21 8.426 -11.768 2.106 1.00 0.00 C ATOM 280 CD LYS A 21 7.910 -12.602 3.266 1.00 0.00 C ATOM 281 CE LYS A 21 8.458 -12.106 4.596 1.00 0.00 C ATOM 282 NZ LYS A 21 7.648 -10.984 5.146 1.00 0.00 N ATOM 0 H LYS A 21 5.522 -12.115 -0.565 1.00 0.00 H new ATOM 0 HA LYS A 21 5.957 -10.835 1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.133 -12.888 0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.096 -11.681 -0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.428 -12.101 1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.509 -10.726 2.415 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.821 -12.567 3.284 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.193 -13.644 3.120 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.473 -12.928 5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.489 -11.779 4.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.054 -10.675 6.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.654 -10.190 4.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.670 -11.303 5.296 1.00 0.00 H new ATOM 296 N TRP A 22 6.539 -8.517 1.351 1.00 0.00 N ATOM 297 CA TRP A 22 6.925 -7.142 1.053 1.00 0.00 C ATOM 298 C TRP A 22 8.427 -6.948 1.230 1.00 0.00 C ATOM 299 O TRP A 22 8.956 -7.107 2.330 1.00 0.00 O ATOM 300 CB TRP A 22 6.163 -6.170 1.954 1.00 0.00 C ATOM 301 CG TRP A 22 4.703 -6.076 1.625 1.00 0.00 C ATOM 302 CD1 TRP A 22 3.656 -6.357 2.455 1.00 0.00 C ATOM 303 CD2 TRP A 22 4.131 -5.673 0.376 1.00 0.00 C ATOM 304 NE1 TRP A 22 2.467 -6.155 1.797 1.00 0.00 N ATOM 305 CE2 TRP A 22 2.731 -5.734 0.520 1.00 0.00 C ATOM 306 CE3 TRP A 22 4.664 -5.266 -0.850 1.00 0.00 C ATOM 307 CZ2 TRP A 22 1.861 -5.404 -0.515 1.00 0.00 C ATOM 308 CZ3 TRP A 22 3.799 -4.939 -1.877 1.00 0.00 C ATOM 309 CH2 TRP A 22 2.411 -5.008 -1.705 1.00 0.00 C ATOM 0 H TRP A 22 6.074 -8.639 2.251 1.00 0.00 H new ATOM 0 HA TRP A 22 6.671 -6.937 0.013 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.275 -6.484 2.992 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.612 -5.180 1.870 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.749 -6.689 3.478 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.538 -6.296 2.195 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.733 -5.208 -0.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.790 -5.458 -0.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.201 -4.625 -2.829 1.00 0.00 H new ATOM 0 HH2 TRP A 22 1.762 -4.744 -2.527 1.00 0.00 H new ATOM 320 N GLU A 23 9.108 -6.603 0.142 1.00 0.00 N ATOM 321 CA GLU A 23 10.550 -6.388 0.180 1.00 0.00 C ATOM 322 C GLU A 23 10.882 -4.904 0.051 1.00 0.00 C ATOM 323 O GLU A 23 10.134 -4.140 -0.559 1.00 0.00 O ATOM 324 CB GLU A 23 11.235 -7.173 -0.940 1.00 0.00 C ATOM 325 CG GLU A 23 10.941 -8.664 -0.905 1.00 0.00 C ATOM 326 CD GLU A 23 11.573 -9.410 -2.065 1.00 0.00 C ATOM 327 OE1 GLU A 23 11.551 -8.878 -3.194 1.00 0.00 O ATOM 328 OE2 GLU A 23 12.088 -10.526 -1.843 1.00 0.00 O ATOM 0 H GLU A 23 8.685 -6.466 -0.776 1.00 0.00 H new ATOM 0 HA GLU A 23 10.919 -6.744 1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.917 -6.771 -1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.312 -7.022 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.307 -9.081 0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.862 -8.818 -0.923 1.00 0.00 H new ATOM 335 N ASN A 24 12.008 -4.503 0.632 1.00 0.00 N ATOM 336 CA ASN A 24 12.439 -3.111 0.584 1.00 0.00 C ATOM 337 C ASN A 24 12.560 -2.628 -0.858 1.00 0.00 C ATOM 338 O ASN A 24 12.650 -3.431 -1.787 1.00 0.00 O ATOM 339 CB ASN A 24 13.780 -2.945 1.303 1.00 0.00 C ATOM 340 CG ASN A 24 13.683 -3.251 2.785 1.00 0.00 C ATOM 341 OD1 ASN A 24 13.006 -4.196 3.192 1.00 0.00 O ATOM 342 ND2 ASN A 24 14.360 -2.451 3.600 1.00 0.00 N ATOM 0 H ASN A 24 12.638 -5.122 1.141 1.00 0.00 H new ATOM 0 HA ASN A 24 11.686 -2.506 1.089 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.518 -3.604 0.846 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.138 -1.924 1.168 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.332 -2.608 4.608 1.00 0.00 H new ATOM 0 HD22 ASN A 24 14.908 -1.680 3.219 1.00 0.00 H new ATOM 349 N ASP A 25 12.563 -1.312 -1.037 1.00 0.00 N ATOM 350 CA ASP A 25 12.674 -0.721 -2.366 1.00 0.00 C ATOM 351 C ASP A 25 11.608 -1.283 -3.302 1.00 0.00 C ATOM 352 O ASP A 25 11.910 -1.714 -4.414 1.00 0.00 O ATOM 353 CB ASP A 25 14.066 -0.978 -2.946 1.00 0.00 C ATOM 354 CG ASP A 25 14.278 -0.275 -4.273 1.00 0.00 C ATOM 355 OD1 ASP A 25 13.761 0.849 -4.439 1.00 0.00 O ATOM 356 OD2 ASP A 25 14.963 -0.850 -5.145 1.00 0.00 O ATOM 0 H ASP A 25 12.490 -0.634 -0.279 1.00 0.00 H new ATOM 0 HA ASP A 25 12.520 0.354 -2.273 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.821 -0.642 -2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.209 -2.050 -3.079 1.00 0.00 H new ATOM 361 N MET A 26 10.361 -1.275 -2.842 1.00 0.00 N ATOM 362 CA MET A 26 9.250 -1.783 -3.639 1.00 0.00 C ATOM 363 C MET A 26 8.131 -0.751 -3.732 1.00 0.00 C ATOM 364 O MET A 26 8.104 0.220 -2.976 1.00 0.00 O ATOM 365 CB MET A 26 8.714 -3.082 -3.034 1.00 0.00 C ATOM 366 CG MET A 26 9.413 -4.328 -3.552 1.00 0.00 C ATOM 367 SD MET A 26 8.514 -5.842 -3.162 1.00 0.00 S ATOM 368 CE MET A 26 7.169 -5.750 -4.341 1.00 0.00 C ATOM 0 H MET A 26 10.095 -0.923 -1.923 1.00 0.00 H new ATOM 0 HA MET A 26 9.618 -1.984 -4.645 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.821 -3.040 -1.950 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.648 -3.159 -3.246 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.533 -4.250 -4.633 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.414 -4.383 -3.123 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.219 -5.856 -3.818 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.197 -4.787 -4.851 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.271 -6.551 -5.073 1.00 0.00 H new ATOM 378 N HIS A 27 7.208 -0.968 -4.664 1.00 0.00 N ATOM 379 CA HIS A 27 6.086 -0.057 -4.856 1.00 0.00 C ATOM 380 C HIS A 27 4.758 -0.780 -4.652 1.00 0.00 C ATOM 381 O HIS A 27 4.546 -1.871 -5.182 1.00 0.00 O ATOM 382 CB HIS A 27 6.135 0.559 -6.254 1.00 0.00 C ATOM 383 CG HIS A 27 7.051 1.740 -6.357 1.00 0.00 C ATOM 384 ND1 HIS A 27 6.772 2.844 -7.135 1.00 0.00 N ATOM 385 CD2 HIS A 27 8.247 1.986 -5.772 1.00 0.00 C ATOM 386 CE1 HIS A 27 7.758 3.717 -7.026 1.00 0.00 C ATOM 387 NE2 HIS A 27 8.665 3.220 -6.204 1.00 0.00 N ATOM 0 H HIS A 27 7.215 -1.767 -5.298 1.00 0.00 H new ATOM 0 HA HIS A 27 6.165 0.738 -4.114 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.455 -0.202 -6.966 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.129 0.864 -6.543 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.774 1.333 -5.092 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.813 4.674 -7.524 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.535 3.679 -5.934 1.00 0.00 H new ATOM 395 N CYS A 28 3.868 -0.165 -3.880 1.00 0.00 N ATOM 396 CA CYS A 28 2.561 -0.751 -3.605 1.00 0.00 C ATOM 397 C CYS A 28 1.522 0.335 -3.343 1.00 0.00 C ATOM 398 O CYS A 28 1.863 1.505 -3.170 1.00 0.00 O ATOM 399 CB CYS A 28 2.644 -1.693 -2.403 1.00 0.00 C ATOM 400 SG CYS A 28 3.496 -0.991 -0.971 1.00 0.00 S ATOM 0 H CYS A 28 4.028 0.738 -3.434 1.00 0.00 H new ATOM 0 HA CYS A 28 2.254 -1.319 -4.483 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.634 -1.977 -2.108 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.157 -2.606 -2.705 1.00 0.00 H new ATOM 0 HG CYS A 28 4.044 0.140 -1.304 1.00 0.00 H new ATOM 406 N ALA A 29 0.254 -0.060 -3.319 1.00 0.00 N ATOM 407 CA ALA A 29 -0.834 0.879 -3.078 1.00 0.00 C ATOM 408 C ALA A 29 -1.457 0.658 -1.704 1.00 0.00 C ATOM 409 O ALA A 29 -2.019 -0.402 -1.429 1.00 0.00 O ATOM 410 CB ALA A 29 -1.891 0.752 -4.166 1.00 0.00 C ATOM 0 H ALA A 29 -0.045 -1.024 -3.464 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.422 1.888 -3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.698 1.459 -3.974 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.443 0.968 -5.136 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.290 -0.262 -4.169 1.00 0.00 H new ATOM 416 N VAL A 30 -1.353 1.666 -0.843 1.00 0.00 N ATOM 417 CA VAL A 30 -1.906 1.582 0.503 1.00 0.00 C ATOM 418 C VAL A 30 -3.298 2.200 0.565 1.00 0.00 C ATOM 419 O VAL A 30 -3.605 3.141 -0.168 1.00 0.00 O ATOM 420 CB VAL A 30 -0.998 2.286 1.528 1.00 0.00 C ATOM 421 CG1 VAL A 30 -0.709 3.715 1.094 1.00 0.00 C ATOM 422 CG2 VAL A 30 -1.633 2.259 2.910 1.00 0.00 C ATOM 0 H VAL A 30 -0.891 2.550 -1.054 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.970 0.523 0.753 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.051 1.748 1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.066 4.196 1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.208 3.707 0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.645 4.267 1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.977 2.761 3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.595 2.771 2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.783 1.225 3.221 1.00 0.00 H new ATOM 432 N LYS A 31 -4.138 1.666 1.445 1.00 0.00 N ATOM 433 CA LYS A 31 -5.499 2.165 1.605 1.00 0.00 C ATOM 434 C LYS A 31 -5.638 2.959 2.900 1.00 0.00 C ATOM 435 O LYS A 31 -5.241 2.494 3.969 1.00 0.00 O ATOM 436 CB LYS A 31 -6.495 1.004 1.597 1.00 0.00 C ATOM 437 CG LYS A 31 -7.947 1.447 1.627 1.00 0.00 C ATOM 438 CD LYS A 31 -8.892 0.259 1.681 1.00 0.00 C ATOM 439 CE LYS A 31 -9.192 -0.151 3.115 1.00 0.00 C ATOM 440 NZ LYS A 31 -10.181 -1.262 3.179 1.00 0.00 N ATOM 0 H LYS A 31 -3.900 0.887 2.059 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.717 2.828 0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.327 0.399 0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.301 0.364 2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.115 2.086 2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.164 2.046 0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.822 0.509 1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.451 -0.582 1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.268 -0.458 3.606 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.575 0.708 3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.358 -1.512 4.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.071 -0.960 2.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.805 -2.091 2.675 1.00 0.00 H new ATOM 454 N ILE A 32 -6.204 4.157 2.797 1.00 0.00 N ATOM 455 CA ILE A 32 -6.398 5.013 3.961 1.00 0.00 C ATOM 456 C ILE A 32 -7.786 4.820 4.560 1.00 0.00 C ATOM 457 O ILE A 32 -8.779 4.740 3.837 1.00 0.00 O ATOM 458 CB ILE A 32 -6.206 6.499 3.605 1.00 0.00 C ATOM 459 CG1 ILE A 32 -4.889 6.700 2.853 1.00 0.00 C ATOM 460 CG2 ILE A 32 -6.240 7.353 4.863 1.00 0.00 C ATOM 461 CD1 ILE A 32 -4.696 8.109 2.337 1.00 0.00 C ATOM 0 H ILE A 32 -6.536 4.557 1.919 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.645 4.724 4.695 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.024 6.811 2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.060 6.447 3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.850 6.006 2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.103 8.401 4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.201 7.229 5.361 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.440 7.043 5.535 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.742 8.178 1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.504 8.359 1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.703 8.807 3.174 1.00 0.00 H new ATOM 473 N GLN A 33 -7.848 4.748 5.886 1.00 0.00 N ATOM 474 CA GLN A 33 -9.116 4.566 6.582 1.00 0.00 C ATOM 475 C GLN A 33 -9.918 5.863 6.601 1.00 0.00 C ATOM 476 O GLN A 33 -10.973 5.961 5.974 1.00 0.00 O ATOM 477 CB GLN A 33 -8.872 4.083 8.013 1.00 0.00 C ATOM 478 CG GLN A 33 -8.342 2.661 8.093 1.00 0.00 C ATOM 479 CD GLN A 33 -9.438 1.622 7.972 1.00 0.00 C ATOM 480 OE1 GLN A 33 -9.784 1.193 6.870 1.00 0.00 O ATOM 481 NE2 GLN A 33 -9.993 1.210 9.106 1.00 0.00 N ATOM 0 H GLN A 33 -7.035 4.813 6.499 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.691 3.812 6.044 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.163 4.754 8.498 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.805 4.146 8.573 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.610 2.505 7.301 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.820 2.525 9.040 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.676 1.592 9.997 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.736 0.512 9.086 1.00 0.00 H new ATOM 490 N ASP A 34 -9.411 6.856 7.323 1.00 0.00 N ATOM 491 CA ASP A 34 -10.080 8.148 7.423 1.00 0.00 C ATOM 492 C ASP A 34 -10.549 8.624 6.052 1.00 0.00 C ATOM 493 O ASP A 34 -11.673 9.102 5.899 1.00 0.00 O ATOM 494 CB ASP A 34 -9.143 9.185 8.044 1.00 0.00 C ATOM 495 CG ASP A 34 -9.003 9.014 9.544 1.00 0.00 C ATOM 496 OD1 ASP A 34 -10.043 8.927 10.231 1.00 0.00 O ATOM 497 OD2 ASP A 34 -7.854 8.965 10.031 1.00 0.00 O ATOM 0 H ASP A 34 -8.539 6.791 7.848 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.953 8.029 8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.160 9.107 7.579 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.519 10.185 7.829 1.00 0.00 H new ATOM 502 N LYS A 35 -9.679 8.492 5.056 1.00 0.00 N ATOM 503 CA LYS A 35 -10.002 8.909 3.697 1.00 0.00 C ATOM 504 C LYS A 35 -10.473 7.722 2.862 1.00 0.00 C ATOM 505 O LYS A 35 -10.423 6.578 3.310 1.00 0.00 O ATOM 506 CB LYS A 35 -8.784 9.558 3.037 1.00 0.00 C ATOM 507 CG LYS A 35 -8.644 11.040 3.342 1.00 0.00 C ATOM 508 CD LYS A 35 -7.990 11.271 4.694 1.00 0.00 C ATOM 509 CE LYS A 35 -6.474 11.305 4.581 1.00 0.00 C ATOM 510 NZ LYS A 35 -5.822 11.478 5.908 1.00 0.00 N ATOM 0 H LYS A 35 -8.744 8.099 5.165 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.810 9.638 3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.883 9.041 3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.851 9.423 1.958 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.050 11.518 2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.627 11.510 3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.346 12.211 5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.287 10.480 5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.123 10.381 4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.177 12.121 3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.789 11.496 5.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.137 12.372 6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.084 10.686 6.529 1.00 0.00 H new ATOM 524 N ASN A 36 -10.929 8.004 1.645 1.00 0.00 N ATOM 525 CA ASN A 36 -11.408 6.959 0.748 1.00 0.00 C ATOM 526 C ASN A 36 -10.624 6.965 -0.561 1.00 0.00 C ATOM 527 O ASN A 36 -11.159 6.630 -1.617 1.00 0.00 O ATOM 528 CB ASN A 36 -12.900 7.148 0.462 1.00 0.00 C ATOM 529 CG ASN A 36 -13.574 5.858 0.035 1.00 0.00 C ATOM 530 OD1 ASN A 36 -13.622 4.889 0.793 1.00 0.00 O ATOM 531 ND2 ASN A 36 -14.098 5.841 -1.185 1.00 0.00 N ATOM 0 H ASN A 36 -10.977 8.947 1.258 1.00 0.00 H new ATOM 0 HA ASN A 36 -11.257 5.997 1.238 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.392 7.534 1.355 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.025 7.897 -0.320 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.564 5.001 -1.528 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -14.035 6.668 -1.779 1.00 0.00 H new ATOM 538 N GLN A 37 -9.354 7.348 -0.482 1.00 0.00 N ATOM 539 CA GLN A 37 -8.496 7.397 -1.660 1.00 0.00 C ATOM 540 C GLN A 37 -7.291 6.477 -1.495 1.00 0.00 C ATOM 541 O GLN A 37 -6.661 6.447 -0.437 1.00 0.00 O ATOM 542 CB GLN A 37 -8.028 8.830 -1.917 1.00 0.00 C ATOM 543 CG GLN A 37 -7.164 9.397 -0.801 1.00 0.00 C ATOM 544 CD GLN A 37 -6.926 10.887 -0.947 1.00 0.00 C ATOM 545 OE1 GLN A 37 -5.792 11.331 -1.127 1.00 0.00 O ATOM 546 NE2 GLN A 37 -7.997 11.668 -0.871 1.00 0.00 N ATOM 0 H GLN A 37 -8.896 7.629 0.385 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.077 7.054 -2.516 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.466 8.858 -2.850 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.900 9.470 -2.051 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.643 9.202 0.159 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.205 8.879 -0.790 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.918 11.257 -0.721 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.898 12.679 -0.963 1.00 0.00 H new ATOM 555 N TRP A 38 -6.975 5.729 -2.545 1.00 0.00 N ATOM 556 CA TRP A 38 -5.845 4.808 -2.516 1.00 0.00 C ATOM 557 C TRP A 38 -4.557 5.514 -2.926 1.00 0.00 C ATOM 558 O TRP A 38 -4.443 6.016 -4.044 1.00 0.00 O ATOM 559 CB TRP A 38 -6.106 3.618 -3.441 1.00 0.00 C ATOM 560 CG TRP A 38 -6.956 2.554 -2.815 1.00 0.00 C ATOM 561 CD1 TRP A 38 -8.307 2.594 -2.620 1.00 0.00 C ATOM 562 CD2 TRP A 38 -6.511 1.294 -2.301 1.00 0.00 C ATOM 563 NE1 TRP A 38 -8.729 1.435 -2.015 1.00 0.00 N ATOM 564 CE2 TRP A 38 -7.647 0.621 -1.810 1.00 0.00 C ATOM 565 CE3 TRP A 38 -5.265 0.669 -2.210 1.00 0.00 C ATOM 566 CZ2 TRP A 38 -7.570 -0.646 -1.236 1.00 0.00 C ATOM 567 CZ3 TRP A 38 -5.191 -0.588 -1.639 1.00 0.00 C ATOM 568 CH2 TRP A 38 -6.337 -1.235 -1.159 1.00 0.00 C ATOM 0 H TRP A 38 -7.486 5.742 -3.428 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.730 4.446 -1.494 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.592 3.973 -4.350 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.152 3.183 -3.739 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.949 3.416 -2.900 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -9.692 1.216 -1.760 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.376 1.159 -2.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -8.452 -1.146 -0.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.233 -1.080 -1.562 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.246 -2.217 -0.720 1.00 0.00 H new ATOM 579 N ARG A 39 -3.590 5.547 -2.015 1.00 0.00 N ATOM 580 CA ARG A 39 -2.310 6.192 -2.283 1.00 0.00 C ATOM 581 C ARG A 39 -1.206 5.155 -2.468 1.00 0.00 C ATOM 582 O ARG A 39 -1.380 3.983 -2.135 1.00 0.00 O ATOM 583 CB ARG A 39 -1.945 7.143 -1.141 1.00 0.00 C ATOM 584 CG ARG A 39 -2.676 8.474 -1.199 1.00 0.00 C ATOM 585 CD ARG A 39 -1.899 9.568 -0.485 1.00 0.00 C ATOM 586 NE ARG A 39 -1.855 9.356 0.959 1.00 0.00 N ATOM 587 CZ ARG A 39 -1.611 10.322 1.837 1.00 0.00 C ATOM 588 NH1 ARG A 39 -1.390 11.561 1.420 1.00 0.00 N ATOM 589 NH2 ARG A 39 -1.589 10.051 3.136 1.00 0.00 N ATOM 0 H ARG A 39 -3.668 5.135 -1.085 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.406 6.763 -3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.167 6.658 -0.191 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.871 7.327 -1.162 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.834 8.758 -2.239 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.661 8.370 -0.744 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.883 9.605 -0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.357 10.534 -0.696 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.021 8.414 1.313 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.407 11.774 0.423 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.203 12.301 2.097 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.760 9.099 3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.401 10.794 3.809 1.00 0.00 H new ATOM 603 N ARG A 40 -0.071 5.596 -3.001 1.00 0.00 N ATOM 604 CA ARG A 40 1.060 4.705 -3.232 1.00 0.00 C ATOM 605 C ARG A 40 2.161 4.948 -2.205 1.00 0.00 C ATOM 606 O ARG A 40 2.307 6.053 -1.685 1.00 0.00 O ATOM 607 CB ARG A 40 1.613 4.905 -4.645 1.00 0.00 C ATOM 608 CG ARG A 40 0.719 4.336 -5.735 1.00 0.00 C ATOM 609 CD ARG A 40 1.310 4.567 -7.117 1.00 0.00 C ATOM 610 NE ARG A 40 1.470 5.988 -7.413 1.00 0.00 N ATOM 611 CZ ARG A 40 1.556 6.477 -8.645 1.00 0.00 C ATOM 612 NH1 ARG A 40 1.496 5.663 -9.690 1.00 0.00 N ATOM 613 NH2 ARG A 40 1.701 7.782 -8.834 1.00 0.00 N ATOM 0 H ARG A 40 0.090 6.564 -3.281 1.00 0.00 H new ATOM 0 HA ARG A 40 0.709 3.678 -3.128 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.755 5.971 -4.823 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.595 4.437 -4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.579 3.267 -5.572 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.266 4.799 -5.677 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.278 4.071 -7.185 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.665 4.111 -7.868 1.00 0.00 H new ATOM 0 HE ARG A 40 1.518 6.641 -6.631 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.384 4.659 -9.549 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.562 6.041 -10.635 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.747 8.411 -8.033 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.767 8.156 -9.781 1.00 0.00 H new ATOM 627 N GLY A 41 2.934 3.905 -1.916 1.00 0.00 N ATOM 628 CA GLY A 41 4.012 4.025 -0.951 1.00 0.00 C ATOM 629 C GLY A 41 5.188 3.127 -1.281 1.00 0.00 C ATOM 630 O GLY A 41 5.047 2.159 -2.027 1.00 0.00 O ATOM 0 H GLY A 41 2.833 2.980 -2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.349 5.061 -0.914 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.636 3.777 0.042 1.00 0.00 H new ATOM 634 N GLN A 42 6.351 3.450 -0.724 1.00 0.00 N ATOM 635 CA GLN A 42 7.556 2.666 -0.966 1.00 0.00 C ATOM 636 C GLN A 42 7.973 1.907 0.289 1.00 0.00 C ATOM 637 O GLN A 42 8.189 2.504 1.344 1.00 0.00 O ATOM 638 CB GLN A 42 8.697 3.575 -1.429 1.00 0.00 C ATOM 639 CG GLN A 42 9.875 2.819 -2.021 1.00 0.00 C ATOM 640 CD GLN A 42 11.061 3.719 -2.309 1.00 0.00 C ATOM 641 OE1 GLN A 42 10.937 4.720 -3.015 1.00 0.00 O ATOM 642 NE2 GLN A 42 12.219 3.366 -1.763 1.00 0.00 N ATOM 0 H GLN A 42 6.484 4.248 -0.103 1.00 0.00 H new ATOM 0 HA GLN A 42 7.336 1.942 -1.750 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.314 4.274 -2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.045 4.168 -0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.180 2.032 -1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.562 2.331 -2.944 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.276 2.528 -1.184 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.052 3.933 -1.922 1.00 0.00 H new ATOM 651 N ILE A 43 8.083 0.589 0.168 1.00 0.00 N ATOM 652 CA ILE A 43 8.474 -0.252 1.293 1.00 0.00 C ATOM 653 C ILE A 43 9.759 0.257 1.938 1.00 0.00 C ATOM 654 O ILE A 43 10.860 -0.085 1.505 1.00 0.00 O ATOM 655 CB ILE A 43 8.675 -1.716 0.859 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.428 -2.233 0.138 1.00 0.00 C ATOM 657 CG2 ILE A 43 8.995 -2.586 2.065 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.166 -2.129 0.965 1.00 0.00 C ATOM 0 H ILE A 43 7.907 0.080 -0.698 1.00 0.00 H new ATOM 0 HA ILE A 43 7.662 -0.206 2.019 1.00 0.00 H new ATOM 0 HB ILE A 43 9.517 -1.763 0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.294 -1.672 -0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.585 -3.275 -0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.134 -3.618 1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.908 -2.228 2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.172 -2.537 2.778 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.322 -2.513 0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.280 -2.713 1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.985 -1.085 1.222 1.00 0.00 H new ATOM 670 N ILE A 44 9.610 1.073 2.976 1.00 0.00 N ATOM 671 CA ILE A 44 10.759 1.626 3.683 1.00 0.00 C ATOM 672 C ILE A 44 11.458 0.557 4.516 1.00 0.00 C ATOM 673 O ILE A 44 12.586 0.162 4.218 1.00 0.00 O ATOM 674 CB ILE A 44 10.347 2.790 4.603 1.00 0.00 C ATOM 675 CG1 ILE A 44 9.842 3.971 3.772 1.00 0.00 C ATOM 676 CG2 ILE A 44 11.517 3.213 5.478 1.00 0.00 C ATOM 677 CD1 ILE A 44 9.492 5.188 4.600 1.00 0.00 C ATOM 0 H ILE A 44 8.706 1.366 3.346 1.00 0.00 H new ATOM 0 HA ILE A 44 11.447 2.000 2.924 1.00 0.00 H new ATOM 0 HB ILE A 44 9.538 2.453 5.251 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.605 4.245 3.044 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.962 3.659 3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.210 4.037 6.123 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.835 2.371 6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.345 3.535 4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.142 5.985 3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.707 4.931 5.311 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.375 5.526 5.142 1.00 0.00 H new ATOM 689 N ARG A 45 10.781 0.092 5.561 1.00 0.00 N ATOM 690 CA ARG A 45 11.337 -0.932 6.437 1.00 0.00 C ATOM 691 C ARG A 45 10.226 -1.708 7.139 1.00 0.00 C ATOM 692 O ARG A 45 9.359 -1.121 7.787 1.00 0.00 O ATOM 693 CB ARG A 45 12.264 -0.296 7.475 1.00 0.00 C ATOM 694 CG ARG A 45 11.548 0.153 8.738 1.00 0.00 C ATOM 695 CD ARG A 45 12.359 1.190 9.499 1.00 0.00 C ATOM 696 NE ARG A 45 11.816 1.437 10.833 1.00 0.00 N ATOM 697 CZ ARG A 45 12.150 2.485 11.579 1.00 0.00 C ATOM 698 NH1 ARG A 45 13.018 3.377 11.124 1.00 0.00 N ATOM 699 NH2 ARG A 45 11.613 2.641 12.782 1.00 0.00 N ATOM 0 H ARG A 45 9.847 0.408 5.821 1.00 0.00 H new ATOM 0 HA ARG A 45 11.911 -1.627 5.824 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.041 -1.012 7.743 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.763 0.563 7.026 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.575 0.570 8.477 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.364 -0.709 9.379 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.392 0.851 9.585 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.375 2.123 8.935 1.00 0.00 H new ATOM 0 HE ARG A 45 11.145 0.769 11.212 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.432 3.260 10.199 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.272 4.180 11.699 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.944 1.957 13.134 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.869 3.445 13.355 1.00 0.00 H new ATOM 713 N MET A 46 10.259 -3.030 7.006 1.00 0.00 N ATOM 714 CA MET A 46 9.256 -3.886 7.628 1.00 0.00 C ATOM 715 C MET A 46 9.402 -3.880 9.146 1.00 0.00 C ATOM 716 O MET A 46 10.445 -4.258 9.681 1.00 0.00 O ATOM 717 CB MET A 46 9.375 -5.316 7.098 1.00 0.00 C ATOM 718 CG MET A 46 8.829 -5.489 5.689 1.00 0.00 C ATOM 719 SD MET A 46 8.435 -7.206 5.304 1.00 0.00 S ATOM 720 CE MET A 46 6.904 -7.413 6.211 1.00 0.00 C ATOM 0 H MET A 46 10.970 -3.532 6.473 1.00 0.00 H new ATOM 0 HA MET A 46 8.272 -3.493 7.374 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.423 -5.614 7.112 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.843 -5.989 7.770 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.933 -4.880 5.573 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.561 -5.118 4.972 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.815 -8.447 6.543 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.902 -6.752 7.078 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.062 -7.166 5.565 1.00 0.00 H new ATOM 730 N VAL A 47 8.351 -3.448 9.836 1.00 0.00 N ATOM 731 CA VAL A 47 8.362 -3.394 11.293 1.00 0.00 C ATOM 732 C VAL A 47 8.028 -4.754 11.896 1.00 0.00 C ATOM 733 O VAL A 47 8.863 -5.378 12.552 1.00 0.00 O ATOM 734 CB VAL A 47 7.363 -2.349 11.823 1.00 0.00 C ATOM 735 CG1 VAL A 47 7.398 -2.300 13.343 1.00 0.00 C ATOM 736 CG2 VAL A 47 7.660 -0.980 11.231 1.00 0.00 C ATOM 0 H VAL A 47 7.481 -3.130 9.409 1.00 0.00 H new ATOM 0 HA VAL A 47 9.370 -3.106 11.592 1.00 0.00 H new ATOM 0 HB VAL A 47 6.359 -2.643 11.515 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.686 -1.556 13.700 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.133 -3.278 13.745 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.401 -2.031 13.675 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.944 -0.254 11.616 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.670 -0.676 11.507 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.579 -1.028 10.145 1.00 0.00 H new ATOM 746 N THR A 48 6.799 -5.209 11.670 1.00 0.00 N ATOM 747 CA THR A 48 6.353 -6.495 12.191 1.00 0.00 C ATOM 748 C THR A 48 5.783 -7.370 11.081 1.00 0.00 C ATOM 749 O THR A 48 5.756 -6.973 9.916 1.00 0.00 O ATOM 750 CB THR A 48 5.285 -6.316 13.287 1.00 0.00 C ATOM 751 OG1 THR A 48 4.115 -5.703 12.736 1.00 0.00 O ATOM 752 CG2 THR A 48 5.820 -5.465 14.429 1.00 0.00 C ATOM 0 H THR A 48 6.095 -4.706 11.130 1.00 0.00 H new ATOM 0 HA THR A 48 7.228 -6.983 12.621 1.00 0.00 H new ATOM 0 HB THR A 48 5.028 -7.301 13.678 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.322 -6.213 13.003 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.049 -5.352 15.191 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.693 -5.950 14.866 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.102 -4.483 14.050 1.00 0.00 H new ATOM 760 N ASP A 49 5.329 -8.563 11.449 1.00 0.00 N ATOM 761 CA ASP A 49 4.758 -9.495 10.483 1.00 0.00 C ATOM 762 C ASP A 49 3.409 -8.994 9.976 1.00 0.00 C ATOM 763 O ASP A 49 2.800 -9.601 9.095 1.00 0.00 O ATOM 764 CB ASP A 49 4.597 -10.880 11.112 1.00 0.00 C ATOM 765 CG ASP A 49 5.915 -11.620 11.227 1.00 0.00 C ATOM 766 OD1 ASP A 49 6.615 -11.749 10.201 1.00 0.00 O ATOM 767 OD2 ASP A 49 6.247 -12.070 12.344 1.00 0.00 O ATOM 0 H ASP A 49 5.345 -8.908 12.409 1.00 0.00 H new ATOM 0 HA ASP A 49 5.441 -9.566 9.636 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.154 -10.777 12.103 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.904 -11.470 10.513 1.00 0.00 H new ATOM 772 N THR A 50 2.948 -7.881 10.539 1.00 0.00 N ATOM 773 CA THR A 50 1.671 -7.299 10.146 1.00 0.00 C ATOM 774 C THR A 50 1.824 -5.823 9.795 1.00 0.00 C ATOM 775 O THR A 50 1.066 -5.285 8.987 1.00 0.00 O ATOM 776 CB THR A 50 0.620 -7.443 11.263 1.00 0.00 C ATOM 777 OG1 THR A 50 1.118 -6.876 12.480 1.00 0.00 O ATOM 778 CG2 THR A 50 0.265 -8.905 11.486 1.00 0.00 C ATOM 0 H THR A 50 3.440 -7.365 11.268 1.00 0.00 H new ATOM 0 HA THR A 50 1.332 -7.846 9.266 1.00 0.00 H new ATOM 0 HB THR A 50 -0.280 -6.910 10.956 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.444 -6.970 13.185 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.479 -8.982 12.279 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.141 -9.325 10.566 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.160 -9.457 11.773 1.00 0.00 H new ATOM 786 N LEU A 51 2.808 -5.174 10.407 1.00 0.00 N ATOM 787 CA LEU A 51 3.062 -3.759 10.158 1.00 0.00 C ATOM 788 C LEU A 51 4.250 -3.575 9.220 1.00 0.00 C ATOM 789 O LEU A 51 5.145 -4.419 9.161 1.00 0.00 O ATOM 790 CB LEU A 51 3.320 -3.028 11.477 1.00 0.00 C ATOM 791 CG LEU A 51 2.279 -3.240 12.577 1.00 0.00 C ATOM 792 CD1 LEU A 51 2.728 -2.578 13.871 1.00 0.00 C ATOM 793 CD2 LEU A 51 0.925 -2.701 12.141 1.00 0.00 C ATOM 0 H LEU A 51 3.443 -5.605 11.079 1.00 0.00 H new ATOM 0 HA LEU A 51 2.178 -3.335 9.681 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.292 -3.341 11.859 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.388 -1.960 11.270 1.00 0.00 H new ATOM 0 HG LEU A 51 2.180 -4.311 12.756 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.975 -2.739 14.642 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.675 -3.012 14.192 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.856 -1.508 13.707 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.197 -2.861 12.936 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.008 -1.634 11.933 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.599 -3.222 11.241 1.00 0.00 H new ATOM 805 N VAL A 52 4.255 -2.465 8.489 1.00 0.00 N ATOM 806 CA VAL A 52 5.335 -2.168 7.557 1.00 0.00 C ATOM 807 C VAL A 52 5.439 -0.670 7.295 1.00 0.00 C ATOM 808 O VAL A 52 4.439 -0.008 7.018 1.00 0.00 O ATOM 809 CB VAL A 52 5.136 -2.900 6.216 1.00 0.00 C ATOM 810 CG1 VAL A 52 6.038 -2.306 5.144 1.00 0.00 C ATOM 811 CG2 VAL A 52 5.398 -4.389 6.379 1.00 0.00 C ATOM 0 H VAL A 52 3.522 -1.756 8.525 1.00 0.00 H new ATOM 0 HA VAL A 52 6.258 -2.517 8.020 1.00 0.00 H new ATOM 0 HB VAL A 52 4.101 -2.768 5.900 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.884 -2.836 4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.798 -1.251 5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.080 -2.405 5.449 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.253 -4.891 5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.422 -4.543 6.718 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.707 -4.802 7.114 1.00 0.00 H new ATOM 821 N GLU A 53 6.656 -0.142 7.383 1.00 0.00 N ATOM 822 CA GLU A 53 6.890 1.280 7.156 1.00 0.00 C ATOM 823 C GLU A 53 7.050 1.573 5.667 1.00 0.00 C ATOM 824 O GLU A 53 7.901 0.989 4.996 1.00 0.00 O ATOM 825 CB GLU A 53 8.135 1.742 7.915 1.00 0.00 C ATOM 826 CG GLU A 53 8.126 3.224 8.253 1.00 0.00 C ATOM 827 CD GLU A 53 9.130 3.582 9.332 1.00 0.00 C ATOM 828 OE1 GLU A 53 8.871 3.269 10.512 1.00 0.00 O ATOM 829 OE2 GLU A 53 10.176 4.175 8.994 1.00 0.00 O ATOM 0 H GLU A 53 7.494 -0.677 7.610 1.00 0.00 H new ATOM 0 HA GLU A 53 6.024 1.829 7.526 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.222 1.168 8.837 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.019 1.520 7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.344 3.799 7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.127 3.512 8.581 1.00 0.00 H new ATOM 836 N VAL A 54 6.225 2.483 5.157 1.00 0.00 N ATOM 837 CA VAL A 54 6.275 2.855 3.748 1.00 0.00 C ATOM 838 C VAL A 54 6.448 4.361 3.583 1.00 0.00 C ATOM 839 O VAL A 54 6.282 5.124 4.536 1.00 0.00 O ATOM 840 CB VAL A 54 5.001 2.412 3.005 1.00 0.00 C ATOM 841 CG1 VAL A 54 5.085 0.940 2.631 1.00 0.00 C ATOM 842 CG2 VAL A 54 3.768 2.685 3.853 1.00 0.00 C ATOM 0 H VAL A 54 5.515 2.976 5.698 1.00 0.00 H new ATOM 0 HA VAL A 54 7.135 2.344 3.316 1.00 0.00 H new ATOM 0 HB VAL A 54 4.918 2.992 2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.176 0.645 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.946 0.778 1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.193 0.341 3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.877 2.366 3.313 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.841 2.133 4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.701 3.752 4.065 1.00 0.00 H new ATOM 852 N LEU A 55 6.783 4.783 2.369 1.00 0.00 N ATOM 853 CA LEU A 55 6.979 6.199 2.078 1.00 0.00 C ATOM 854 C LEU A 55 6.048 6.659 0.960 1.00 0.00 C ATOM 855 O LEU A 55 6.113 6.156 -0.162 1.00 0.00 O ATOM 856 CB LEU A 55 8.434 6.463 1.687 1.00 0.00 C ATOM 857 CG LEU A 55 8.686 7.714 0.846 1.00 0.00 C ATOM 858 CD1 LEU A 55 8.286 8.964 1.614 1.00 0.00 C ATOM 859 CD2 LEU A 55 10.147 7.789 0.426 1.00 0.00 C ATOM 0 H LEU A 55 6.925 4.165 1.570 1.00 0.00 H new ATOM 0 HA LEU A 55 6.743 6.766 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.027 6.537 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.804 5.598 1.136 1.00 0.00 H new ATOM 0 HG LEU A 55 8.072 7.653 -0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.473 9.844 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.226 8.914 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.872 9.031 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.308 8.686 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.779 7.826 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.402 6.909 -0.164 1.00 0.00 H new ATOM 871 N LEU A 56 5.185 7.618 1.274 1.00 0.00 N ATOM 872 CA LEU A 56 4.242 8.148 0.295 1.00 0.00 C ATOM 873 C LEU A 56 4.943 9.084 -0.685 1.00 0.00 C ATOM 874 O LEU A 56 4.475 10.193 -0.943 1.00 0.00 O ATOM 875 CB LEU A 56 3.106 8.890 1.002 1.00 0.00 C ATOM 876 CG LEU A 56 2.363 8.106 2.084 1.00 0.00 C ATOM 877 CD1 LEU A 56 1.125 8.863 2.537 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.987 6.721 1.575 1.00 0.00 C ATOM 0 H LEU A 56 5.118 8.045 2.198 1.00 0.00 H new ATOM 0 HA LEU A 56 3.828 7.310 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.515 9.794 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.383 9.207 0.250 1.00 0.00 H new ATOM 0 HG LEU A 56 3.026 7.989 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.609 8.289 3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.419 9.832 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.458 9.011 1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.459 6.177 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.342 6.817 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.891 6.176 1.301 1.00 0.00 H new ATOM 890 N TYR A 57 6.065 8.628 -1.230 1.00 0.00 N ATOM 891 CA TYR A 57 6.831 9.423 -2.182 1.00 0.00 C ATOM 892 C TYR A 57 5.906 10.258 -3.063 1.00 0.00 C ATOM 893 O TYR A 57 6.243 11.377 -3.451 1.00 0.00 O ATOM 894 CB TYR A 57 7.701 8.516 -3.054 1.00 0.00 C ATOM 895 CG TYR A 57 6.925 7.423 -3.753 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.375 7.631 -5.012 1.00 0.00 C ATOM 897 CD2 TYR A 57 6.743 6.182 -3.155 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.665 6.635 -5.654 1.00 0.00 C ATOM 899 CE2 TYR A 57 6.036 5.180 -3.791 1.00 0.00 C ATOM 900 CZ TYR A 57 5.498 5.411 -5.040 1.00 0.00 C ATOM 901 OH TYR A 57 4.793 4.416 -5.677 1.00 0.00 O ATOM 0 H TYR A 57 6.464 7.711 -1.029 1.00 0.00 H new ATOM 0 HA TYR A 57 7.474 10.098 -1.617 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.210 9.124 -3.802 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.474 8.062 -2.434 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.505 8.587 -5.497 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.161 5.998 -2.177 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.243 6.814 -6.632 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.905 4.221 -3.313 1.00 0.00 H new ATOM 0 HH TYR A 57 5.419 3.788 -6.095 1.00 0.00 H new ATOM 911 N ASP A 58 4.738 9.706 -3.373 1.00 0.00 N ATOM 912 CA ASP A 58 3.762 10.399 -4.206 1.00 0.00 C ATOM 913 C ASP A 58 3.500 11.807 -3.679 1.00 0.00 C ATOM 914 O ASP A 58 3.548 12.781 -4.430 1.00 0.00 O ATOM 915 CB ASP A 58 2.454 9.609 -4.260 1.00 0.00 C ATOM 916 CG ASP A 58 1.603 9.979 -5.459 1.00 0.00 C ATOM 917 OD1 ASP A 58 2.094 9.842 -6.599 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.447 10.406 -5.258 1.00 0.00 O ATOM 0 H ASP A 58 4.444 8.781 -3.060 1.00 0.00 H new ATOM 0 HA ASP A 58 4.171 10.478 -5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.678 8.543 -4.292 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.887 9.788 -3.347 1.00 0.00 H new ATOM 923 N VAL A 59 3.221 11.906 -2.383 1.00 0.00 N ATOM 924 CA VAL A 59 2.951 13.194 -1.755 1.00 0.00 C ATOM 925 C VAL A 59 4.171 13.701 -0.995 1.00 0.00 C ATOM 926 O VAL A 59 4.500 14.886 -1.049 1.00 0.00 O ATOM 927 CB VAL A 59 1.756 13.106 -0.787 1.00 0.00 C ATOM 928 CG1 VAL A 59 0.495 12.694 -1.530 1.00 0.00 C ATOM 929 CG2 VAL A 59 2.059 12.137 0.346 1.00 0.00 C ATOM 0 H VAL A 59 3.176 11.109 -1.747 1.00 0.00 H new ATOM 0 HA VAL A 59 2.710 13.893 -2.556 1.00 0.00 H new ATOM 0 HB VAL A 59 1.587 14.093 -0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.338 12.637 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.271 13.430 -2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.647 11.719 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.204 12.087 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.255 11.147 -0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.935 12.482 0.895 1.00 0.00 H new ATOM 939 N GLY A 60 4.840 12.796 -0.288 1.00 0.00 N ATOM 940 CA GLY A 60 6.018 13.171 0.473 1.00 0.00 C ATOM 941 C GLY A 60 5.789 13.097 1.970 1.00 0.00 C ATOM 942 O GLY A 60 6.092 14.042 2.699 1.00 0.00 O ATOM 0 H GLY A 60 4.588 11.810 -0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.846 12.515 0.202 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.313 14.185 0.203 1.00 0.00 H new ATOM 946 N VAL A 61 5.250 11.972 2.430 1.00 0.00 N ATOM 947 CA VAL A 61 4.980 11.779 3.849 1.00 0.00 C ATOM 948 C VAL A 61 5.398 10.384 4.303 1.00 0.00 C ATOM 949 O VAL A 61 4.972 9.382 3.731 1.00 0.00 O ATOM 950 CB VAL A 61 3.488 11.985 4.170 1.00 0.00 C ATOM 951 CG1 VAL A 61 3.161 11.453 5.557 1.00 0.00 C ATOM 952 CG2 VAL A 61 3.117 13.456 4.053 1.00 0.00 C ATOM 0 H VAL A 61 4.992 11.181 1.840 1.00 0.00 H new ATOM 0 HA VAL A 61 5.566 12.524 4.387 1.00 0.00 H new ATOM 0 HB VAL A 61 2.897 11.425 3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.102 11.608 5.766 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.388 10.388 5.601 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.758 11.982 6.300 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.059 13.584 4.283 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.714 14.039 4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.312 13.801 3.037 1.00 0.00 H new ATOM 962 N GLU A 62 6.234 10.330 5.335 1.00 0.00 N ATOM 963 CA GLU A 62 6.709 9.057 5.866 1.00 0.00 C ATOM 964 C GLU A 62 5.749 8.515 6.921 1.00 0.00 C ATOM 965 O GLU A 62 5.487 9.167 7.932 1.00 0.00 O ATOM 966 CB GLU A 62 8.106 9.220 6.467 1.00 0.00 C ATOM 967 CG GLU A 62 9.120 9.810 5.501 1.00 0.00 C ATOM 968 CD GLU A 62 10.452 10.105 6.162 1.00 0.00 C ATOM 969 OE1 GLU A 62 11.092 9.155 6.660 1.00 0.00 O ATOM 970 OE2 GLU A 62 10.856 11.287 6.181 1.00 0.00 O ATOM 0 H GLU A 62 6.596 11.151 5.820 1.00 0.00 H new ATOM 0 HA GLU A 62 6.756 8.344 5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.041 9.859 7.347 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.463 8.247 6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.275 9.117 4.674 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.718 10.730 5.075 1.00 0.00 H new ATOM 977 N LEU A 63 5.228 7.317 6.678 1.00 0.00 N ATOM 978 CA LEU A 63 4.296 6.686 7.606 1.00 0.00 C ATOM 979 C LEU A 63 4.384 5.166 7.516 1.00 0.00 C ATOM 980 O LEU A 63 5.119 4.624 6.690 1.00 0.00 O ATOM 981 CB LEU A 63 2.866 7.144 7.315 1.00 0.00 C ATOM 982 CG LEU A 63 2.059 6.260 6.363 1.00 0.00 C ATOM 983 CD1 LEU A 63 0.637 6.781 6.227 1.00 0.00 C ATOM 984 CD2 LEU A 63 2.735 6.187 5.001 1.00 0.00 C ATOM 0 H LEU A 63 5.435 6.764 5.847 1.00 0.00 H new ATOM 0 HA LEU A 63 4.568 6.988 8.617 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.328 7.211 8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.906 8.150 6.898 1.00 0.00 H new ATOM 0 HG LEU A 63 2.017 5.254 6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.078 6.139 5.546 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.154 6.780 7.204 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.658 7.797 5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.147 5.554 4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.808 7.189 4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.734 5.766 5.113 1.00 0.00 H new ATOM 996 N VAL A 64 3.628 4.483 8.370 1.00 0.00 N ATOM 997 CA VAL A 64 3.618 3.025 8.385 1.00 0.00 C ATOM 998 C VAL A 64 2.194 2.486 8.468 1.00 0.00 C ATOM 999 O VAL A 64 1.448 2.814 9.390 1.00 0.00 O ATOM 1000 CB VAL A 64 4.435 2.469 9.566 1.00 0.00 C ATOM 1001 CG1 VAL A 64 3.994 3.115 10.871 1.00 0.00 C ATOM 1002 CG2 VAL A 64 4.304 0.956 9.639 1.00 0.00 C ATOM 0 H VAL A 64 3.015 4.916 9.060 1.00 0.00 H new ATOM 0 HA VAL A 64 4.074 2.696 7.451 1.00 0.00 H new ATOM 0 HB VAL A 64 5.485 2.712 9.405 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.582 2.710 11.694 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.145 4.193 10.813 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.938 2.906 11.042 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.888 0.580 10.479 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.256 0.688 9.776 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.674 0.514 8.714 1.00 0.00 H new ATOM 1012 N VAL A 65 1.823 1.656 7.498 1.00 0.00 N ATOM 1013 CA VAL A 65 0.489 1.070 7.462 1.00 0.00 C ATOM 1014 C VAL A 65 0.550 -0.445 7.626 1.00 0.00 C ATOM 1015 O VAL A 65 1.627 -1.039 7.603 1.00 0.00 O ATOM 1016 CB VAL A 65 -0.236 1.404 6.145 1.00 0.00 C ATOM 1017 CG1 VAL A 65 -0.159 2.896 5.858 1.00 0.00 C ATOM 1018 CG2 VAL A 65 0.351 0.600 4.995 1.00 0.00 C ATOM 0 H VAL A 65 2.428 1.374 6.727 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.068 1.501 8.294 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.286 1.132 6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.676 3.114 4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.631 3.448 6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.885 3.197 5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.173 0.849 4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.409 0.839 4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.239 -0.465 5.201 1.00 0.00 H new ATOM 1028 N ASN A 66 -0.615 -1.064 7.789 1.00 0.00 N ATOM 1029 CA ASN A 66 -0.695 -2.511 7.956 1.00 0.00 C ATOM 1030 C ASN A 66 -0.664 -3.217 6.604 1.00 0.00 C ATOM 1031 O ASN A 66 -1.318 -2.790 5.653 1.00 0.00 O ATOM 1032 CB ASN A 66 -1.970 -2.888 8.713 1.00 0.00 C ATOM 1033 CG ASN A 66 -1.810 -4.165 9.515 1.00 0.00 C ATOM 1034 OD1 ASN A 66 -0.823 -4.342 10.231 1.00 0.00 O ATOM 1035 ND2 ASN A 66 -2.782 -5.062 9.400 1.00 0.00 N ATOM 0 H ASN A 66 -1.516 -0.587 7.809 1.00 0.00 H new ATOM 0 HA ASN A 66 0.171 -2.834 8.534 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.246 -2.074 9.383 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.789 -3.008 8.003 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.729 -5.940 9.917 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.581 -4.873 8.795 1.00 0.00 H new ATOM 1042 N VAL A 67 0.101 -4.301 6.527 1.00 0.00 N ATOM 1043 CA VAL A 67 0.216 -5.069 5.292 1.00 0.00 C ATOM 1044 C VAL A 67 -1.156 -5.468 4.763 1.00 0.00 C ATOM 1045 O VAL A 67 -1.382 -5.499 3.553 1.00 0.00 O ATOM 1046 CB VAL A 67 1.065 -6.338 5.497 1.00 0.00 C ATOM 1047 CG1 VAL A 67 2.506 -5.971 5.817 1.00 0.00 C ATOM 1048 CG2 VAL A 67 0.470 -7.204 6.598 1.00 0.00 C ATOM 0 H VAL A 67 0.650 -4.667 7.304 1.00 0.00 H new ATOM 0 HA VAL A 67 0.709 -4.425 4.564 1.00 0.00 H new ATOM 0 HB VAL A 67 1.059 -6.912 4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.090 -6.880 5.958 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.926 -5.394 4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.536 -5.375 6.729 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.082 -8.096 6.730 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.445 -6.640 7.531 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.543 -7.496 6.323 1.00 0.00 H new ATOM 1058 N ASP A 68 -2.071 -5.773 5.678 1.00 0.00 N ATOM 1059 CA ASP A 68 -3.423 -6.170 5.304 1.00 0.00 C ATOM 1060 C ASP A 68 -4.069 -5.118 4.407 1.00 0.00 C ATOM 1061 O ASP A 68 -4.954 -5.429 3.608 1.00 0.00 O ATOM 1062 CB ASP A 68 -4.278 -6.387 6.553 1.00 0.00 C ATOM 1063 CG ASP A 68 -4.987 -5.122 6.996 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -4.382 -4.035 6.891 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -6.147 -5.220 7.449 1.00 0.00 O ATOM 0 H ASP A 68 -1.900 -5.753 6.683 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.360 -7.106 4.749 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.017 -7.163 6.354 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.646 -6.749 7.364 1.00 0.00 H new ATOM 1070 N CYS A 69 -3.623 -3.875 4.545 1.00 0.00 N ATOM 1071 CA CYS A 69 -4.158 -2.777 3.748 1.00 0.00 C ATOM 1072 C CYS A 69 -3.316 -2.552 2.497 1.00 0.00 C ATOM 1073 O CYS A 69 -3.783 -1.968 1.518 1.00 0.00 O ATOM 1074 CB CYS A 69 -4.212 -1.495 4.580 1.00 0.00 C ATOM 1075 SG CYS A 69 -5.740 -1.291 5.524 1.00 0.00 S ATOM 0 H CYS A 69 -2.892 -3.602 5.202 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.169 -3.044 3.439 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.368 -1.486 5.269 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.090 -0.639 3.917 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.835 -2.240 6.407 1.00 0.00 H new ATOM 1081 N LEU A 70 -2.072 -3.016 2.536 1.00 0.00 N ATOM 1082 CA LEU A 70 -1.163 -2.864 1.406 1.00 0.00 C ATOM 1083 C LEU A 70 -1.579 -3.764 0.247 1.00 0.00 C ATOM 1084 O LEU A 70 -2.182 -4.817 0.452 1.00 0.00 O ATOM 1085 CB LEU A 70 0.270 -3.190 1.831 1.00 0.00 C ATOM 1086 CG LEU A 70 0.962 -2.150 2.713 1.00 0.00 C ATOM 1087 CD1 LEU A 70 2.285 -2.687 3.235 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.177 -0.855 1.942 1.00 0.00 C ATOM 0 H LEU A 70 -1.670 -3.501 3.338 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.209 -1.828 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.262 -4.141 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.871 -3.332 0.933 1.00 0.00 H new ATOM 0 HG LEU A 70 0.317 -1.939 3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.762 -1.933 3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.106 -3.586 3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.937 -2.927 2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.671 -0.126 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.801 -1.050 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.214 -0.460 1.619 1.00 0.00 H new ATOM 1100 N ARG A 71 -1.251 -3.343 -0.970 1.00 0.00 N ATOM 1101 CA ARG A 71 -1.589 -4.111 -2.162 1.00 0.00 C ATOM 1102 C ARG A 71 -0.499 -3.981 -3.221 1.00 0.00 C ATOM 1103 O ARG A 71 0.128 -2.930 -3.357 1.00 0.00 O ATOM 1104 CB ARG A 71 -2.929 -3.643 -2.733 1.00 0.00 C ATOM 1105 CG ARG A 71 -4.131 -4.343 -2.119 1.00 0.00 C ATOM 1106 CD ARG A 71 -4.234 -5.786 -2.588 1.00 0.00 C ATOM 1107 NE ARG A 71 -4.879 -5.893 -3.893 1.00 0.00 N ATOM 1108 CZ ARG A 71 -4.779 -6.961 -4.677 1.00 0.00 C ATOM 1109 NH1 ARG A 71 -4.064 -8.008 -4.289 1.00 0.00 N ATOM 1110 NH2 ARG A 71 -5.395 -6.983 -5.852 1.00 0.00 N ATOM 0 H ARG A 71 -0.751 -2.474 -1.156 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.670 -5.160 -1.877 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.026 -2.569 -2.576 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.933 -3.810 -3.810 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.053 -4.317 -1.032 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.042 -3.807 -2.386 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.236 -6.222 -2.640 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.798 -6.365 -1.857 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.437 -5.105 -4.221 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.589 -7.995 -3.386 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.989 -8.827 -4.893 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.946 -6.180 -6.154 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.318 -7.803 -6.453 1.00 0.00 H new ATOM 1124 N LYS A 72 -0.277 -5.056 -3.970 1.00 0.00 N ATOM 1125 CA LYS A 72 0.736 -5.063 -5.018 1.00 0.00 C ATOM 1126 C LYS A 72 0.358 -4.108 -6.147 1.00 0.00 C ATOM 1127 O LYS A 72 -0.808 -4.018 -6.533 1.00 0.00 O ATOM 1128 CB LYS A 72 0.917 -6.478 -5.572 1.00 0.00 C ATOM 1129 CG LYS A 72 1.469 -7.462 -4.556 1.00 0.00 C ATOM 1130 CD LYS A 72 1.166 -8.899 -4.950 1.00 0.00 C ATOM 1131 CE LYS A 72 2.251 -9.471 -5.849 1.00 0.00 C ATOM 1132 NZ LYS A 72 2.070 -9.059 -7.268 1.00 0.00 N ATOM 0 H LYS A 72 -0.786 -5.934 -3.870 1.00 0.00 H new ATOM 0 HA LYS A 72 1.677 -4.727 -4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.044 -6.843 -5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.588 -6.440 -6.430 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.547 -7.328 -4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.039 -7.254 -3.576 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.075 -9.512 -4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.206 -8.942 -5.464 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.227 -9.139 -5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.241 -10.559 -5.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.506 -9.766 -7.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.055 -8.987 -7.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.522 -8.135 -7.422 1.00 0.00 H new ATOM 1146 N LEU A 73 1.351 -3.399 -6.673 1.00 0.00 N ATOM 1147 CA LEU A 73 1.123 -2.452 -7.759 1.00 0.00 C ATOM 1148 C LEU A 73 1.123 -3.162 -9.109 1.00 0.00 C ATOM 1149 O LEU A 73 2.162 -3.628 -9.576 1.00 0.00 O ATOM 1150 CB LEU A 73 2.195 -1.361 -7.744 1.00 0.00 C ATOM 1151 CG LEU A 73 1.768 0.006 -8.279 1.00 0.00 C ATOM 1152 CD1 LEU A 73 0.864 0.712 -7.280 1.00 0.00 C ATOM 1153 CD2 LEU A 73 2.987 0.860 -8.594 1.00 0.00 C ATOM 0 H LEU A 73 2.321 -3.462 -6.365 1.00 0.00 H new ATOM 0 HA LEU A 73 0.145 -1.994 -7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.543 -1.235 -6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.047 -1.708 -8.329 1.00 0.00 H new ATOM 0 HG LEU A 73 1.207 -0.145 -9.201 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.570 1.683 -7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.026 0.108 -7.104 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.399 0.852 -6.341 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.664 1.829 -8.974 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.575 1.003 -7.688 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.597 0.360 -9.347 1.00 0.00 H new ATOM 1165 N GLU A 74 -0.049 -3.239 -9.732 1.00 0.00 N ATOM 1166 CA GLU A 74 -0.183 -3.891 -11.029 1.00 0.00 C ATOM 1167 C GLU A 74 0.531 -3.092 -12.116 1.00 0.00 C ATOM 1168 O GLU A 74 0.727 -1.884 -11.984 1.00 0.00 O ATOM 1169 CB GLU A 74 -1.660 -4.057 -11.391 1.00 0.00 C ATOM 1170 CG GLU A 74 -2.432 -4.926 -10.413 1.00 0.00 C ATOM 1171 CD GLU A 74 -2.082 -6.396 -10.535 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -0.944 -6.701 -10.951 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -2.944 -7.241 -10.216 1.00 0.00 O ATOM 0 H GLU A 74 -0.919 -2.858 -9.359 1.00 0.00 H new ATOM 0 HA GLU A 74 0.280 -4.875 -10.962 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.127 -3.073 -11.437 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.735 -4.492 -12.388 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.228 -4.591 -9.396 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.501 -4.796 -10.583 1.00 0.00 H new ATOM 1180 N GLU A 75 0.917 -3.776 -13.188 1.00 0.00 N ATOM 1181 CA GLU A 75 1.611 -3.130 -14.296 1.00 0.00 C ATOM 1182 C GLU A 75 0.823 -1.926 -14.804 1.00 0.00 C ATOM 1183 O GLU A 75 1.365 -0.831 -14.947 1.00 0.00 O ATOM 1184 CB GLU A 75 1.834 -4.126 -15.437 1.00 0.00 C ATOM 1185 CG GLU A 75 3.147 -4.882 -15.337 1.00 0.00 C ATOM 1186 CD GLU A 75 3.350 -5.854 -16.483 1.00 0.00 C ATOM 1187 OE1 GLU A 75 3.116 -5.460 -17.644 1.00 0.00 O ATOM 1188 OE2 GLU A 75 3.743 -7.010 -16.218 1.00 0.00 O ATOM 0 H GLU A 75 0.761 -4.776 -13.313 1.00 0.00 H new ATOM 0 HA GLU A 75 2.578 -2.782 -13.932 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.012 -4.842 -15.449 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.804 -3.591 -16.386 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.972 -4.169 -15.320 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.177 -5.427 -14.394 1.00 0.00 H new ATOM 1195 N ASN A 76 -0.461 -2.138 -15.075 1.00 0.00 N ATOM 1196 CA ASN A 76 -1.325 -1.072 -15.568 1.00 0.00 C ATOM 1197 C ASN A 76 -1.591 -0.039 -14.477 1.00 0.00 C ATOM 1198 O ASN A 76 -1.511 1.167 -14.714 1.00 0.00 O ATOM 1199 CB ASN A 76 -2.648 -1.650 -16.072 1.00 0.00 C ATOM 1200 CG ASN A 76 -3.704 -0.582 -16.281 1.00 0.00 C ATOM 1201 OD1 ASN A 76 -4.656 -0.475 -15.509 1.00 0.00 O ATOM 1202 ND2 ASN A 76 -3.539 0.215 -17.331 1.00 0.00 N ATOM 0 H ASN A 76 -0.926 -3.039 -14.961 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.814 -0.578 -16.395 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.477 -2.176 -17.011 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.016 -2.386 -15.357 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.217 0.952 -17.523 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.734 0.090 -17.945 1.00 0.00 H new ATOM 1209 N LEU A 77 -1.907 -0.521 -13.279 1.00 0.00 N ATOM 1210 CA LEU A 77 -2.184 0.360 -12.150 1.00 0.00 C ATOM 1211 C LEU A 77 -1.006 1.290 -11.882 1.00 0.00 C ATOM 1212 O LEU A 77 -1.185 2.428 -11.447 1.00 0.00 O ATOM 1213 CB LEU A 77 -2.492 -0.465 -10.899 1.00 0.00 C ATOM 1214 CG LEU A 77 -3.799 -1.259 -10.923 1.00 0.00 C ATOM 1215 CD1 LEU A 77 -3.981 -2.027 -9.623 1.00 0.00 C ATOM 1216 CD2 LEU A 77 -4.981 -0.333 -11.167 1.00 0.00 C ATOM 0 H LEU A 77 -1.978 -1.516 -13.065 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.053 0.969 -12.400 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.670 -1.162 -10.736 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.514 0.207 -10.041 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.750 -1.977 -11.742 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.916 -2.586 -9.658 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.149 -2.719 -9.490 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.008 -1.327 -8.788 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.902 -0.915 -11.181 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.033 0.409 -10.370 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.856 0.172 -12.125 1.00 0.00 H new