USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 23 SER OG : rot 180:sc= 0.313 USER MOD Set 1.2: B 26 THR OG1 : rot 118:sc= 0.347 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 74:sc= 0.303 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -115:sc= -2.12! (180deg=-3.83!) USER MOD Single : A 21 LYS NZ :NH3+ 168:sc= -0.0103 (180deg=-0.192) USER MOD Single : A 23 SER OG : rot -14:sc= 0.55 USER MOD Single : A 28 THR OG1 : rot 79:sc= 0.401 USER MOD Single : A 29 TYR OH : rot -58:sc= 0.258 USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.257) USER MOD Single : A 36 LYS NZ :NH3+ 168:sc= -0.0123 (180deg=-0.196) USER MOD Single : B 6 LYS NZ :NH3+ 140:sc= -1.11 (180deg=-1.76) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 THR OG1 : rot -170:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 168:sc=-0.00835 (180deg=-0.195) USER MOD Single : B 15 SER OG : rot 79:sc= 0.0782 USER MOD Single : B 16 MET CE :methyl 165:sc= -0.0707 (180deg=-0.438) USER MOD Single : B 18 LYS NZ :NH3+ -111:sc= 0.0775 (180deg=-1.66!) USER MOD Single : B 19 LYS NZ :NH3+ -170:sc=-0.00824 (180deg=-0.159) USER MOD Single : B 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ -116:sc= -0.11 (180deg=-0.68) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 0.666 -12.472 2.589 1.00 0.00 N ATOM 27 CA ILE A 3 -0.714 -11.964 2.688 1.00 0.00 C ATOM 28 C ILE A 3 -1.650 -12.824 1.820 1.00 0.00 C ATOM 29 O ILE A 3 -1.379 -13.065 0.643 1.00 0.00 O ATOM 30 CB ILE A 3 -0.742 -10.485 2.226 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.219 -9.625 3.089 1.00 0.00 C ATOM 32 CG2 ILE A 3 -2.180 -9.919 2.238 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.271 -8.134 2.694 1.00 0.00 C ATOM 0 HA ILE A 3 -1.059 -12.021 3.721 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.391 -10.444 1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.084 -9.701 4.133 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.223 -10.042 3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.165 -8.880 1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.807 -10.504 1.565 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.584 -9.973 3.249 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.967 -7.608 3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.605 -8.043 1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.722 -7.696 2.794 1.00 0.00 H new ATOM 45 N PRO A 4 -2.772 -13.312 2.369 1.00 0.00 N ATOM 46 CA PRO A 4 -3.725 -14.166 1.639 1.00 0.00 C ATOM 47 C PRO A 4 -4.687 -13.369 0.747 1.00 0.00 C ATOM 48 O PRO A 4 -4.810 -12.145 0.801 1.00 0.00 O ATOM 49 CB PRO A 4 -4.497 -14.846 2.780 1.00 0.00 C ATOM 50 CG PRO A 4 -4.590 -13.737 3.816 1.00 0.00 C ATOM 51 CD PRO A 4 -3.194 -13.097 3.764 1.00 0.00 C ATOM 0 HA PRO A 4 -3.223 -14.850 0.955 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.482 -15.186 2.459 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.969 -15.718 3.165 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.372 -13.019 3.570 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -4.818 -14.129 4.807 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.228 -12.037 4.015 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.509 -13.569 4.468 1.00 0.00 H new ATOM 59 N LYS A 5 -5.415 -14.133 -0.074 1.00 0.00 N ATOM 60 CA LYS A 5 -6.406 -13.575 -1.015 1.00 0.00 C ATOM 61 C LYS A 5 -7.436 -12.687 -0.303 1.00 0.00 C ATOM 62 O LYS A 5 -7.756 -11.574 -0.718 1.00 0.00 O ATOM 63 CB LYS A 5 -7.136 -14.744 -1.716 1.00 0.00 C ATOM 64 CG LYS A 5 -8.145 -14.278 -2.788 1.00 0.00 C ATOM 65 CD LYS A 5 -8.972 -15.446 -3.361 1.00 0.00 C ATOM 66 CE LYS A 5 -10.015 -14.973 -4.392 1.00 0.00 C ATOM 67 NZ LYS A 5 -10.793 -16.124 -4.870 1.00 0.00 N ATOM 0 H LYS A 5 -5.339 -15.150 -0.109 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.879 -12.954 -1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.398 -15.398 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.660 -15.337 -0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.818 -13.539 -2.353 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.609 -13.784 -3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.302 -16.167 -3.830 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.478 -15.964 -2.546 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.678 -14.235 -3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.517 -14.484 -5.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.496 -15.803 -5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.155 -16.813 -5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.280 -16.572 -4.067 1.00 0.00 H new ATOM 81 N LYS A 6 -7.960 -13.221 0.805 1.00 0.00 N ATOM 82 CA LYS A 6 -8.977 -12.525 1.615 1.00 0.00 C ATOM 83 C LYS A 6 -8.545 -11.106 2.009 1.00 0.00 C ATOM 84 O LYS A 6 -9.262 -10.123 1.826 1.00 0.00 O ATOM 85 CB LYS A 6 -9.271 -13.360 2.883 1.00 0.00 C ATOM 86 CG LYS A 6 -10.337 -12.730 3.808 1.00 0.00 C ATOM 87 CD LYS A 6 -11.701 -12.534 3.113 1.00 0.00 C ATOM 88 CE LYS A 6 -12.750 -11.905 4.050 1.00 0.00 C ATOM 89 NZ LYS A 6 -14.020 -11.747 3.328 1.00 0.00 N ATOM 0 H LYS A 6 -7.698 -14.138 1.167 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.876 -12.424 1.008 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.604 -14.354 2.584 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.346 -13.489 3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.470 -13.365 4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.976 -11.766 4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.572 -11.898 2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.066 -13.497 2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.894 -12.536 4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.400 -10.937 4.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.728 -11.322 3.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.876 -11.129 2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.355 -12.678 3.008 1.00 0.00 H new ATOM 103 N ILE A 7 -7.335 -11.012 2.570 1.00 0.00 N ATOM 104 CA ILE A 7 -6.778 -9.708 2.980 1.00 0.00 C ATOM 105 C ILE A 7 -6.641 -8.742 1.794 1.00 0.00 C ATOM 106 O ILE A 7 -6.971 -7.563 1.882 1.00 0.00 O ATOM 107 CB ILE A 7 -5.424 -9.892 3.712 1.00 0.00 C ATOM 108 CG1 ILE A 7 -5.586 -10.680 5.037 1.00 0.00 C ATOM 109 CG2 ILE A 7 -4.702 -8.544 3.959 1.00 0.00 C ATOM 110 CD1 ILE A 7 -6.449 -9.961 6.097 1.00 0.00 C ATOM 0 H ILE A 7 -6.725 -11.809 2.751 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.484 -9.258 3.677 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.795 -10.483 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.032 -11.650 4.818 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.598 -10.871 5.457 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.759 -8.726 4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.506 -8.056 3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.333 -7.901 4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.513 -10.578 6.993 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.994 -9.003 6.348 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.450 -9.794 5.699 1.00 0.00 H new ATOM 122 N TRP A 8 -6.136 -9.256 0.668 1.00 0.00 N ATOM 123 CA TRP A 8 -5.996 -8.440 -0.559 1.00 0.00 C ATOM 124 C TRP A 8 -7.317 -7.787 -1.002 1.00 0.00 C ATOM 125 O TRP A 8 -7.381 -6.636 -1.434 1.00 0.00 O ATOM 126 CB TRP A 8 -5.396 -9.286 -1.705 1.00 0.00 C ATOM 127 CG TRP A 8 -3.917 -9.569 -1.418 1.00 0.00 C ATOM 128 CD1 TRP A 8 -3.297 -10.827 -1.349 1.00 0.00 C ATOM 129 CD2 TRP A 8 -2.891 -8.634 -1.182 1.00 0.00 C ATOM 130 NE1 TRP A 8 -1.971 -10.704 -1.076 1.00 0.00 N ATOM 131 CE2 TRP A 8 -1.698 -9.372 -0.969 1.00 0.00 C ATOM 132 CE3 TRP A 8 -2.862 -7.237 -1.154 1.00 0.00 C ATOM 133 CZ2 TRP A 8 -0.508 -8.685 -0.717 1.00 0.00 C ATOM 134 CZ3 TRP A 8 -1.663 -6.567 -0.908 1.00 0.00 C ATOM 135 CH2 TRP A 8 -0.489 -7.290 -0.687 1.00 0.00 C ATOM 0 H TRP A 8 -5.819 -10.221 0.573 1.00 0.00 H new ATOM 0 HA TRP A 8 -5.313 -7.625 -0.317 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.943 -10.224 -1.803 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.498 -8.757 -2.653 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.806 -11.768 -1.494 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.303 -11.468 -0.971 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.769 -6.675 -1.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.404 -9.237 -0.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.643 -5.487 -0.888 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.436 -6.768 -0.492 1.00 0.00 H new ATOM 146 N GLU A 9 -8.396 -8.566 -0.893 1.00 0.00 N ATOM 147 CA GLU A 9 -9.756 -8.066 -1.177 1.00 0.00 C ATOM 148 C GLU A 9 -10.161 -6.931 -0.224 1.00 0.00 C ATOM 149 O GLU A 9 -10.689 -5.887 -0.608 1.00 0.00 O ATOM 150 CB GLU A 9 -10.766 -9.227 -1.048 1.00 0.00 C ATOM 151 CG GLU A 9 -10.524 -10.343 -2.086 1.00 0.00 C ATOM 152 CD GLU A 9 -11.426 -11.549 -1.791 1.00 0.00 C ATOM 153 OE1 GLU A 9 -12.638 -11.440 -1.973 1.00 0.00 O ATOM 154 OE2 GLU A 9 -10.907 -12.583 -1.375 1.00 0.00 O ATOM 0 H GLU A 9 -8.361 -9.546 -0.611 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.760 -7.668 -2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.703 -9.649 -0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.777 -8.839 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.725 -9.966 -3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.478 -10.649 -2.064 1.00 0.00 H new ATOM 161 N THR A 10 -9.898 -7.166 1.065 1.00 0.00 N ATOM 162 CA THR A 10 -10.245 -6.210 2.136 1.00 0.00 C ATOM 163 C THR A 10 -9.555 -4.848 1.956 1.00 0.00 C ATOM 164 O THR A 10 -10.158 -3.777 2.021 1.00 0.00 O ATOM 165 CB THR A 10 -9.854 -6.826 3.504 1.00 0.00 C ATOM 166 OG1 THR A 10 -10.566 -8.053 3.690 1.00 0.00 O ATOM 167 CG2 THR A 10 -10.151 -5.897 4.701 1.00 0.00 C ATOM 0 H THR A 10 -9.443 -8.015 1.400 1.00 0.00 H new ATOM 0 HA THR A 10 -11.319 -6.028 2.090 1.00 0.00 H new ATOM 0 HB THR A 10 -8.776 -6.988 3.478 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.183 -8.744 3.111 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.853 -6.390 5.627 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.592 -4.968 4.588 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.218 -5.676 4.734 1.00 0.00 H new ATOM 175 N VAL A 11 -8.242 -4.915 1.727 1.00 0.00 N ATOM 176 CA VAL A 11 -7.393 -3.713 1.628 1.00 0.00 C ATOM 177 C VAL A 11 -7.681 -2.862 0.382 1.00 0.00 C ATOM 178 O VAL A 11 -7.544 -1.642 0.405 1.00 0.00 O ATOM 179 CB VAL A 11 -5.889 -4.087 1.696 1.00 0.00 C ATOM 180 CG1 VAL A 11 -5.530 -4.769 3.034 1.00 0.00 C ATOM 181 CG2 VAL A 11 -5.416 -4.927 0.491 1.00 0.00 C ATOM 0 H VAL A 11 -7.736 -5.792 1.605 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.647 -3.095 2.489 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.344 -3.144 1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.468 -5.016 3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.752 -4.092 3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.115 -5.682 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.356 -5.155 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.984 -5.856 0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.574 -4.364 -0.429 1.00 0.00 H new ATOM 191 N CYS A 12 -8.087 -3.536 -0.708 1.00 0.00 N ATOM 192 CA CYS A 12 -8.344 -2.917 -2.033 1.00 0.00 C ATOM 193 C CYS A 12 -8.634 -1.400 -2.043 1.00 0.00 C ATOM 194 O CYS A 12 -7.859 -0.632 -2.611 1.00 0.00 O ATOM 195 CB CYS A 12 -9.518 -3.647 -2.728 1.00 0.00 C ATOM 196 SG CYS A 12 -9.060 -5.096 -3.713 1.00 0.00 S ATOM 0 H CYS A 12 -8.250 -4.543 -0.700 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.400 -3.031 -2.566 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.232 -3.958 -1.966 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.033 -2.937 -3.375 1.00 0.00 H new ATOM 201 N PRO A 13 -9.727 -0.917 -1.428 1.00 0.00 N ATOM 202 CA PRO A 13 -10.100 0.512 -1.435 1.00 0.00 C ATOM 203 C PRO A 13 -9.097 1.417 -0.703 1.00 0.00 C ATOM 204 O PRO A 13 -8.695 2.483 -1.167 1.00 0.00 O ATOM 205 CB PRO A 13 -11.476 0.532 -0.744 1.00 0.00 C ATOM 206 CG PRO A 13 -11.427 -0.674 0.183 1.00 0.00 C ATOM 207 CD PRO A 13 -10.699 -1.721 -0.668 1.00 0.00 C ATOM 0 HA PRO A 13 -10.113 0.911 -2.449 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.633 1.458 -0.190 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.289 0.450 -1.466 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.888 -0.455 1.105 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.425 -1.007 0.469 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.206 -2.471 -0.050 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.385 -2.253 -1.327 1.00 0.00 H new ATOM 215 N THR A 14 -8.703 0.964 0.489 1.00 0.00 N ATOM 216 CA THR A 14 -7.760 1.706 1.348 1.00 0.00 C ATOM 217 C THR A 14 -6.409 1.945 0.653 1.00 0.00 C ATOM 218 O THR A 14 -5.860 3.046 0.613 1.00 0.00 O ATOM 219 CB THR A 14 -7.552 0.914 2.663 1.00 0.00 C ATOM 220 OG1 THR A 14 -8.822 0.669 3.276 1.00 0.00 O ATOM 221 CG2 THR A 14 -6.657 1.658 3.674 1.00 0.00 C ATOM 0 H THR A 14 -9.022 0.081 0.889 1.00 0.00 H new ATOM 0 HA THR A 14 -8.187 2.686 1.559 1.00 0.00 H new ATOM 0 HB THR A 14 -7.053 -0.018 2.397 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.692 0.166 4.107 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.547 1.055 4.575 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.676 1.832 3.232 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.114 2.614 3.930 1.00 0.00 H new ATOM 229 N VAL A 15 -5.865 0.855 0.104 1.00 0.00 N ATOM 230 CA VAL A 15 -4.575 0.888 -0.612 1.00 0.00 C ATOM 231 C VAL A 15 -4.638 1.622 -1.960 1.00 0.00 C ATOM 232 O VAL A 15 -3.662 2.207 -2.427 1.00 0.00 O ATOM 233 CB VAL A 15 -4.014 -0.545 -0.803 1.00 0.00 C ATOM 234 CG1 VAL A 15 -3.773 -1.232 0.558 1.00 0.00 C ATOM 235 CG2 VAL A 15 -4.882 -1.424 -1.730 1.00 0.00 C ATOM 0 H VAL A 15 -6.297 -0.069 0.139 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.897 1.462 0.020 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.055 -0.432 -1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.380 -2.235 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.055 -0.651 1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.714 -1.296 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.432 -2.413 -1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.883 -1.518 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.944 -0.963 -2.716 1.00 0.00 H new ATOM 245 N GLU A 16 -5.824 1.580 -2.585 1.00 0.00 N ATOM 246 CA GLU A 16 -6.045 2.122 -3.945 1.00 0.00 C ATOM 247 C GLU A 16 -5.388 3.492 -4.195 1.00 0.00 C ATOM 248 O GLU A 16 -4.522 3.602 -5.062 1.00 0.00 O ATOM 249 CB GLU A 16 -7.571 2.174 -4.232 1.00 0.00 C ATOM 250 CG GLU A 16 -7.989 2.712 -5.626 1.00 0.00 C ATOM 251 CD GLU A 16 -7.788 4.233 -5.739 1.00 0.00 C ATOM 252 OE1 GLU A 16 -8.422 4.973 -4.987 1.00 0.00 O ATOM 253 OE2 GLU A 16 -7.002 4.664 -6.582 1.00 0.00 O ATOM 0 H GLU A 16 -6.660 1.171 -2.167 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.550 1.444 -4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.975 1.168 -4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.042 2.795 -3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.406 2.211 -6.398 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.036 2.470 -5.809 1.00 0.00 H new ATOM 260 N PRO A 17 -5.732 4.559 -3.454 1.00 0.00 N ATOM 261 CA PRO A 17 -5.243 5.923 -3.732 1.00 0.00 C ATOM 262 C PRO A 17 -3.713 6.016 -3.763 1.00 0.00 C ATOM 263 O PRO A 17 -3.094 6.618 -4.641 1.00 0.00 O ATOM 264 CB PRO A 17 -5.840 6.774 -2.596 1.00 0.00 C ATOM 265 CG PRO A 17 -6.077 5.770 -1.478 1.00 0.00 C ATOM 266 CD PRO A 17 -6.562 4.532 -2.240 1.00 0.00 C ATOM 0 HA PRO A 17 -5.548 6.263 -4.722 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.156 7.564 -2.286 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.767 7.257 -2.903 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.166 5.568 -0.914 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.821 6.125 -0.765 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.412 3.618 -1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.625 4.590 -2.474 1.00 0.00 H new ATOM 274 N TRP A 18 -3.099 5.378 -2.764 1.00 0.00 N ATOM 275 CA TRP A 18 -1.630 5.342 -2.653 1.00 0.00 C ATOM 276 C TRP A 18 -0.979 4.599 -3.830 1.00 0.00 C ATOM 277 O TRP A 18 0.010 5.029 -4.420 1.00 0.00 O ATOM 278 CB TRP A 18 -1.202 4.658 -1.333 1.00 0.00 C ATOM 279 CG TRP A 18 -1.908 5.288 -0.127 1.00 0.00 C ATOM 280 CD1 TRP A 18 -2.051 6.657 0.158 1.00 0.00 C ATOM 281 CD2 TRP A 18 -2.511 4.619 0.954 1.00 0.00 C ATOM 282 NE1 TRP A 18 -2.701 6.846 1.336 1.00 0.00 N ATOM 283 CE2 TRP A 18 -2.992 5.614 1.845 1.00 0.00 C ATOM 284 CE3 TRP A 18 -2.670 3.268 1.265 1.00 0.00 C ATOM 285 CZ2 TRP A 18 -3.631 5.222 3.023 1.00 0.00 C ATOM 286 CZ3 TRP A 18 -3.310 2.892 2.447 1.00 0.00 C ATOM 287 CH2 TRP A 18 -3.792 3.867 3.323 1.00 0.00 C ATOM 0 H TRP A 18 -3.589 4.880 -2.021 1.00 0.00 H new ATOM 0 HA TRP A 18 -1.289 6.377 -2.667 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.435 3.594 -1.379 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.122 4.742 -1.210 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.691 7.454 -0.476 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.930 7.744 1.762 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.297 2.512 0.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.003 5.971 3.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.433 1.846 2.684 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.291 3.573 4.235 1.00 0.00 H new ATOM 298 N ALA A 19 -1.578 3.454 -4.176 1.00 0.00 N ATOM 299 CA ALA A 19 -1.007 2.513 -5.161 1.00 0.00 C ATOM 300 C ALA A 19 -0.703 3.160 -6.521 1.00 0.00 C ATOM 301 O ALA A 19 0.426 3.162 -7.013 1.00 0.00 O ATOM 302 CB ALA A 19 -1.980 1.330 -5.350 1.00 0.00 C ATOM 0 H ALA A 19 -2.470 3.149 -3.786 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.051 2.173 -4.763 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.566 0.630 -6.076 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.124 0.821 -4.397 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.939 1.702 -5.711 1.00 0.00 H new ATOM 308 N LYS A 20 -1.749 3.716 -7.143 1.00 0.00 N ATOM 309 CA LYS A 20 -1.583 4.444 -8.418 1.00 0.00 C ATOM 310 C LYS A 20 -0.648 5.652 -8.284 1.00 0.00 C ATOM 311 O LYS A 20 0.154 5.967 -9.164 1.00 0.00 O ATOM 312 CB LYS A 20 -2.947 4.870 -9.008 1.00 0.00 C ATOM 313 CG LYS A 20 -3.612 3.760 -9.859 1.00 0.00 C ATOM 314 CD LYS A 20 -3.911 2.453 -9.094 1.00 0.00 C ATOM 315 CE LYS A 20 -4.968 2.650 -7.994 1.00 0.00 C ATOM 316 NZ LYS A 20 -5.103 1.415 -7.210 1.00 0.00 N ATOM 0 H LYS A 20 -2.707 3.680 -6.796 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.113 3.747 -9.112 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.618 5.147 -8.195 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.809 5.758 -9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.545 4.146 -10.270 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.962 3.530 -10.704 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.257 1.695 -9.796 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.990 2.077 -8.647 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.680 3.476 -7.343 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.926 2.915 -8.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.056 1.020 -7.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.393 0.724 -7.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.956 1.626 -6.202 1.00 0.00 H new ATOM 330 N LYS A 21 -0.781 6.355 -7.154 1.00 0.00 N ATOM 331 CA LYS A 21 0.136 7.464 -6.824 1.00 0.00 C ATOM 332 C LYS A 21 1.441 6.949 -6.182 1.00 0.00 C ATOM 333 O LYS A 21 1.950 7.435 -5.171 1.00 0.00 O ATOM 334 CB LYS A 21 -0.585 8.448 -5.874 1.00 0.00 C ATOM 335 CG LYS A 21 -1.872 9.042 -6.488 1.00 0.00 C ATOM 336 CD LYS A 21 -2.579 10.045 -5.550 1.00 0.00 C ATOM 337 CE LYS A 21 -1.748 11.315 -5.262 1.00 0.00 C ATOM 338 NZ LYS A 21 -1.491 12.041 -6.515 1.00 0.00 N ATOM 0 H LYS A 21 -1.505 6.183 -6.456 1.00 0.00 H new ATOM 0 HA LYS A 21 0.412 7.976 -7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.835 7.933 -4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.095 9.259 -5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.625 9.541 -7.425 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.560 8.232 -6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.530 10.337 -5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.807 9.549 -4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.282 11.958 -4.562 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.804 11.043 -4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.114 12.986 -6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.799 11.515 -7.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.378 12.137 -7.049 1.00 0.00 H new ATOM 352 N CYS A 22 2.008 5.927 -6.828 1.00 0.00 N ATOM 353 CA CYS A 22 3.275 5.316 -6.384 1.00 0.00 C ATOM 354 C CYS A 22 3.915 4.526 -7.538 1.00 0.00 C ATOM 355 O CYS A 22 3.378 4.386 -8.639 1.00 0.00 O ATOM 356 CB CYS A 22 2.997 4.369 -5.190 1.00 0.00 C ATOM 357 SG CYS A 22 4.515 3.848 -4.358 1.00 0.00 S ATOM 0 H CYS A 22 1.612 5.500 -7.665 1.00 0.00 H new ATOM 0 HA CYS A 22 3.963 6.102 -6.074 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.347 4.872 -4.474 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.460 3.489 -5.544 1.00 0.00 H new ATOM 362 N SER A 23 5.110 3.995 -7.266 1.00 0.00 N ATOM 363 CA SER A 23 5.846 3.187 -8.258 1.00 0.00 C ATOM 364 C SER A 23 6.776 2.165 -7.583 1.00 0.00 C ATOM 365 O SER A 23 6.823 1.985 -6.364 1.00 0.00 O ATOM 366 CB SER A 23 6.657 4.126 -9.185 1.00 0.00 C ATOM 367 OG SER A 23 7.657 4.823 -8.436 1.00 0.00 O ATOM 0 H SER A 23 5.591 4.106 -6.374 1.00 0.00 H new ATOM 0 HA SER A 23 5.122 2.625 -8.847 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.127 3.546 -9.980 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.988 4.841 -9.664 1.00 0.00 H new ATOM 0 HG SER A 23 7.476 4.724 -7.478 1.00 0.00 H new ATOM 373 N GLY A 24 7.537 1.470 -8.433 1.00 0.00 N ATOM 374 CA GLY A 24 8.455 0.410 -7.979 1.00 0.00 C ATOM 375 C GLY A 24 7.779 -0.966 -7.937 1.00 0.00 C ATOM 376 O GLY A 24 6.595 -1.160 -8.216 1.00 0.00 O ATOM 0 H GLY A 24 7.539 1.619 -9.442 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.317 0.369 -8.645 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.831 0.658 -6.986 1.00 0.00 H new ATOM 380 N ASP A 25 8.597 -1.950 -7.557 1.00 0.00 N ATOM 381 CA ASP A 25 8.184 -3.367 -7.529 1.00 0.00 C ATOM 382 C ASP A 25 6.968 -3.622 -6.630 1.00 0.00 C ATOM 383 O ASP A 25 6.016 -4.320 -6.975 1.00 0.00 O ATOM 384 CB ASP A 25 9.367 -4.227 -7.028 1.00 0.00 C ATOM 385 CG ASP A 25 10.582 -4.057 -7.952 1.00 0.00 C ATOM 386 OD1 ASP A 25 10.515 -4.482 -9.105 1.00 0.00 O ATOM 387 OD2 ASP A 25 11.582 -3.493 -7.508 1.00 0.00 O ATOM 0 H ASP A 25 9.561 -1.795 -7.260 1.00 0.00 H new ATOM 0 HA ASP A 25 7.897 -3.638 -8.545 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.632 -3.936 -6.012 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.073 -5.276 -6.993 1.00 0.00 H new ATOM 392 N ILE A 26 7.030 -3.038 -5.431 1.00 0.00 N ATOM 393 CA ILE A 26 5.981 -3.225 -4.411 1.00 0.00 C ATOM 394 C ILE A 26 4.631 -2.645 -4.861 1.00 0.00 C ATOM 395 O ILE A 26 3.566 -3.238 -4.696 1.00 0.00 O ATOM 396 CB ILE A 26 6.416 -2.559 -3.084 1.00 0.00 C ATOM 397 CG1 ILE A 26 7.851 -2.952 -2.657 1.00 0.00 C ATOM 398 CG2 ILE A 26 5.408 -2.876 -1.957 1.00 0.00 C ATOM 399 CD1 ILE A 26 8.044 -4.464 -2.409 1.00 0.00 C ATOM 0 H ILE A 26 7.794 -2.430 -5.137 1.00 0.00 H new ATOM 0 HA ILE A 26 5.850 -4.297 -4.266 1.00 0.00 H new ATOM 0 HB ILE A 26 6.424 -1.484 -3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.549 -2.630 -3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.109 -2.410 -1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.733 -2.398 -1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.423 -2.499 -2.233 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.356 -3.955 -1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.076 -4.656 -2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.373 -4.791 -1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.820 -5.014 -3.323 1.00 0.00 H new ATOM 411 N ALA A 27 4.687 -1.430 -5.419 1.00 0.00 N ATOM 412 CA ALA A 27 3.484 -0.775 -5.972 1.00 0.00 C ATOM 413 C ALA A 27 2.787 -1.666 -7.011 1.00 0.00 C ATOM 414 O ALA A 27 1.574 -1.877 -7.014 1.00 0.00 O ATOM 415 CB ALA A 27 3.879 0.569 -6.620 1.00 0.00 C ATOM 0 H ALA A 27 5.542 -0.880 -5.502 1.00 0.00 H new ATOM 0 HA ALA A 27 2.785 -0.602 -5.154 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.991 1.051 -7.028 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.331 1.216 -5.868 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.595 0.390 -7.422 1.00 0.00 H new ATOM 421 N THR A 28 3.613 -2.204 -7.914 1.00 0.00 N ATOM 422 CA THR A 28 3.152 -3.142 -8.956 1.00 0.00 C ATOM 423 C THR A 28 2.525 -4.411 -8.355 1.00 0.00 C ATOM 424 O THR A 28 1.531 -4.954 -8.837 1.00 0.00 O ATOM 425 CB THR A 28 4.348 -3.522 -9.863 1.00 0.00 C ATOM 426 OG1 THR A 28 4.905 -2.333 -10.433 1.00 0.00 O ATOM 427 CG2 THR A 28 3.958 -4.480 -11.009 1.00 0.00 C ATOM 0 H THR A 28 4.613 -2.007 -7.948 1.00 0.00 H new ATOM 0 HA THR A 28 2.378 -2.645 -9.540 1.00 0.00 H new ATOM 0 HB THR A 28 5.071 -4.040 -9.232 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.472 -1.887 -9.770 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.839 -4.708 -11.608 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.555 -5.402 -10.591 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.204 -4.007 -11.638 1.00 0.00 H new ATOM 435 N TYR A 29 3.148 -4.898 -7.277 1.00 0.00 N ATOM 436 CA TYR A 29 2.685 -6.120 -6.594 1.00 0.00 C ATOM 437 C TYR A 29 1.257 -5.968 -6.055 1.00 0.00 C ATOM 438 O TYR A 29 0.331 -6.673 -6.448 1.00 0.00 O ATOM 439 CB TYR A 29 3.657 -6.480 -5.446 1.00 0.00 C ATOM 440 CG TYR A 29 3.155 -7.607 -4.567 1.00 0.00 C ATOM 441 CD1 TYR A 29 2.911 -8.872 -5.110 1.00 0.00 C ATOM 442 CD2 TYR A 29 2.919 -7.374 -3.209 1.00 0.00 C ATOM 443 CE1 TYR A 29 2.429 -9.899 -4.297 1.00 0.00 C ATOM 444 CE2 TYR A 29 2.438 -8.402 -2.397 1.00 0.00 C ATOM 445 CZ TYR A 29 2.191 -9.665 -2.940 1.00 0.00 C ATOM 446 OH TYR A 29 1.710 -10.679 -2.137 1.00 0.00 O ATOM 0 H TYR A 29 3.972 -4.469 -6.856 1.00 0.00 H new ATOM 0 HA TYR A 29 2.672 -6.927 -7.326 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.621 -6.761 -5.870 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.825 -5.596 -4.831 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.095 -9.054 -6.158 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.109 -6.398 -2.788 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.240 -10.876 -4.717 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.257 -8.221 -1.348 1.00 0.00 H new ATOM 0 HH TYR A 29 0.859 -11.005 -2.497 1.00 0.00 H new ATOM 456 N ILE A 30 1.092 -5.006 -5.142 1.00 0.00 N ATOM 457 CA ILE A 30 -0.209 -4.724 -4.500 1.00 0.00 C ATOM 458 C ILE A 30 -1.324 -4.512 -5.536 1.00 0.00 C ATOM 459 O ILE A 30 -2.445 -5.010 -5.425 1.00 0.00 O ATOM 460 CB ILE A 30 -0.066 -3.473 -3.593 1.00 0.00 C ATOM 461 CG1 ILE A 30 0.982 -3.714 -2.477 1.00 0.00 C ATOM 462 CG2 ILE A 30 -1.427 -3.036 -2.996 1.00 0.00 C ATOM 463 CD1 ILE A 30 1.303 -2.446 -1.659 1.00 0.00 C ATOM 0 H ILE A 30 1.848 -4.400 -4.824 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.492 -5.588 -3.899 1.00 0.00 H new ATOM 0 HB ILE A 30 0.289 -2.655 -4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.615 -4.489 -1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.901 -4.091 -2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.283 -2.157 -2.367 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.118 -2.795 -3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.839 -3.848 -2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.043 -2.684 -0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.700 -1.676 -2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.393 -2.081 -1.182 1.00 0.00 H new ATOM 475 N LYS A 31 -0.981 -3.730 -6.565 1.00 0.00 N ATOM 476 CA LYS A 31 -1.875 -3.491 -7.716 1.00 0.00 C ATOM 477 C LYS A 31 -2.398 -4.813 -8.297 1.00 0.00 C ATOM 478 O LYS A 31 -3.592 -5.027 -8.503 1.00 0.00 O ATOM 479 CB LYS A 31 -1.081 -2.681 -8.775 1.00 0.00 C ATOM 480 CG LYS A 31 -1.821 -2.347 -10.096 1.00 0.00 C ATOM 481 CD LYS A 31 -2.052 -3.540 -11.056 1.00 0.00 C ATOM 482 CE LYS A 31 -0.756 -4.287 -11.434 1.00 0.00 C ATOM 483 NZ LYS A 31 -1.085 -5.450 -12.271 1.00 0.00 N ATOM 0 H LYS A 31 -0.085 -3.246 -6.629 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.751 -2.926 -7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.762 -1.744 -8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.178 -3.239 -9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.789 -1.911 -9.849 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.253 -1.583 -10.626 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.744 -4.242 -10.590 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.531 -3.177 -11.965 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.082 -3.619 -11.970 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.234 -4.610 -10.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.305 -6.137 -12.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.956 -5.896 -11.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.227 -5.141 -13.254 1.00 0.00 H new ATOM 497 N ARG A 32 -1.454 -5.723 -8.551 1.00 0.00 N ATOM 498 CA ARG A 32 -1.773 -7.058 -9.090 1.00 0.00 C ATOM 499 C ARG A 32 -2.706 -7.858 -8.167 1.00 0.00 C ATOM 500 O ARG A 32 -3.633 -8.538 -8.602 1.00 0.00 O ATOM 501 CB ARG A 32 -0.467 -7.849 -9.329 1.00 0.00 C ATOM 502 CG ARG A 32 -0.711 -9.235 -9.964 1.00 0.00 C ATOM 503 CD ARG A 32 0.595 -10.022 -10.181 1.00 0.00 C ATOM 504 NE ARG A 32 0.279 -11.335 -10.770 1.00 0.00 N ATOM 505 CZ ARG A 32 1.233 -12.224 -11.054 1.00 0.00 C ATOM 506 NH1 ARG A 32 2.518 -11.964 -10.816 1.00 0.00 N ATOM 507 NH2 ARG A 32 0.894 -13.394 -11.586 1.00 0.00 N ATOM 0 H ARG A 32 -0.459 -5.564 -8.393 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.301 -6.911 -10.032 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.190 -7.269 -9.977 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.053 -7.976 -8.380 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.377 -9.813 -9.323 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.219 -9.109 -10.920 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.263 -9.466 -10.839 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.117 -10.152 -9.233 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.694 -11.571 -10.966 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.790 -11.070 -10.408 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.229 -12.659 -11.042 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.086 -13.604 -11.773 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.614 -14.081 -11.807 1.00 0.00 H new ATOM 521 N GLU A 33 -2.442 -7.779 -6.858 1.00 0.00 N ATOM 522 CA GLU A 33 -3.207 -8.566 -5.869 1.00 0.00 C ATOM 523 C GLU A 33 -4.704 -8.227 -5.884 1.00 0.00 C ATOM 524 O GLU A 33 -5.577 -9.068 -6.107 1.00 0.00 O ATOM 525 CB GLU A 33 -2.652 -8.335 -4.445 1.00 0.00 C ATOM 526 CG GLU A 33 -1.144 -8.626 -4.263 1.00 0.00 C ATOM 527 CD GLU A 33 -0.789 -10.042 -4.733 1.00 0.00 C ATOM 528 OE1 GLU A 33 -0.578 -10.231 -5.931 1.00 0.00 O ATOM 529 OE2 GLU A 33 -0.737 -10.942 -3.896 1.00 0.00 O ATOM 0 H GLU A 33 -1.715 -7.187 -6.457 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.093 -9.613 -6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.841 -7.299 -4.164 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.212 -8.961 -3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.560 -7.897 -4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.873 -8.510 -3.214 1.00 0.00 H new ATOM 536 N CYS A 34 -4.993 -6.945 -5.640 1.00 0.00 N ATOM 537 CA CYS A 34 -6.382 -6.449 -5.627 1.00 0.00 C ATOM 538 C CYS A 34 -7.069 -6.609 -6.993 1.00 0.00 C ATOM 539 O CYS A 34 -8.180 -7.121 -7.126 1.00 0.00 O ATOM 540 CB CYS A 34 -6.403 -4.959 -5.216 1.00 0.00 C ATOM 541 SG CYS A 34 -8.087 -4.297 -5.293 1.00 0.00 S ATOM 0 H CYS A 34 -4.290 -6.231 -5.449 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.934 -7.049 -4.903 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.010 -4.850 -4.205 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.751 -4.386 -5.875 1.00 0.00 H new ATOM 546 N GLY A 35 -6.365 -6.142 -8.030 1.00 0.00 N ATOM 547 CA GLY A 35 -6.890 -6.138 -9.410 1.00 0.00 C ATOM 548 C GLY A 35 -7.291 -7.534 -9.900 1.00 0.00 C ATOM 549 O GLY A 35 -8.418 -7.798 -10.318 1.00 0.00 O ATOM 0 H GLY A 35 -5.424 -5.759 -7.944 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.756 -5.478 -9.462 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.135 -5.727 -10.079 1.00 0.00 H new ATOM 553 N LYS A 36 -6.306 -8.436 -9.859 1.00 0.00 N ATOM 554 CA LYS A 36 -6.509 -9.855 -10.211 1.00 0.00 C ATOM 555 C LYS A 36 -7.330 -10.568 -9.123 1.00 0.00 C ATOM 556 O LYS A 36 -6.835 -11.228 -8.208 1.00 0.00 O ATOM 557 CB LYS A 36 -5.130 -10.532 -10.398 1.00 0.00 C ATOM 558 CG LYS A 36 -5.218 -11.967 -10.958 1.00 0.00 C ATOM 559 CD LYS A 36 -3.822 -12.605 -11.127 1.00 0.00 C ATOM 560 CE LYS A 36 -3.877 -14.035 -11.704 1.00 0.00 C ATOM 561 NZ LYS A 36 -4.460 -14.009 -13.054 1.00 0.00 N ATOM 0 H LYS A 36 -5.350 -8.211 -9.584 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.069 -9.923 -11.144 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.525 -9.925 -11.071 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.613 -10.556 -9.439 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.820 -12.582 -10.289 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.729 -11.950 -11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.219 -11.977 -11.783 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.320 -12.629 -10.160 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.874 -14.461 -11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.472 -14.676 -11.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.310 -14.929 -13.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.480 -13.817 -12.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.003 -13.262 -13.615 1.00 0.00 H new ATOM 666 N VAL B 5 -5.527 -6.905 10.273 1.00 0.00 N ATOM 667 CA VAL B 5 -5.341 -6.448 8.878 1.00 0.00 C ATOM 668 C VAL B 5 -4.252 -5.375 8.753 1.00 0.00 C ATOM 669 O VAL B 5 -3.422 -5.383 7.845 1.00 0.00 O ATOM 670 CB VAL B 5 -6.678 -5.922 8.290 1.00 0.00 C ATOM 671 CG1 VAL B 5 -6.534 -5.486 6.814 1.00 0.00 C ATOM 672 CG2 VAL B 5 -7.820 -6.951 8.442 1.00 0.00 C ATOM 0 HA VAL B 5 -5.012 -7.315 8.305 1.00 0.00 H new ATOM 0 HB VAL B 5 -6.941 -5.039 8.873 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.494 -5.125 6.446 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -5.795 -4.688 6.741 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.211 -6.336 6.213 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.737 -6.542 8.018 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.555 -7.869 7.917 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.975 -7.169 9.499 1.00 0.00 H new ATOM 682 N LYS B 6 -4.274 -4.434 9.702 1.00 0.00 N ATOM 683 CA LYS B 6 -3.267 -3.359 9.781 1.00 0.00 C ATOM 684 C LYS B 6 -1.839 -3.916 9.713 1.00 0.00 C ATOM 685 O LYS B 6 -1.054 -3.633 8.811 1.00 0.00 O ATOM 686 CB LYS B 6 -3.474 -2.627 11.125 1.00 0.00 C ATOM 687 CG LYS B 6 -2.386 -1.592 11.480 1.00 0.00 C ATOM 688 CD LYS B 6 -2.639 -0.950 12.862 1.00 0.00 C ATOM 689 CE LYS B 6 -1.466 -0.075 13.343 1.00 0.00 C ATOM 690 NZ LYS B 6 -1.178 0.987 12.368 1.00 0.00 N ATOM 0 H LYS B 6 -4.983 -4.391 10.434 1.00 0.00 H new ATOM 0 HA LYS B 6 -3.392 -2.683 8.935 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -4.440 -2.122 11.101 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -3.522 -3.369 11.922 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -1.409 -2.075 11.476 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -2.360 -0.814 10.717 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -3.543 -0.342 12.814 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -2.822 -1.737 13.594 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -1.708 0.367 14.310 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -0.580 -0.693 13.488 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -0.960 1.871 12.871 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -0.363 0.711 11.784 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -2.007 1.132 11.758 1.00 0.00 H new ATOM 704 N LEU B 7 -1.526 -4.761 10.696 1.00 0.00 N ATOM 705 CA LEU B 7 -0.184 -5.361 10.821 1.00 0.00 C ATOM 706 C LEU B 7 0.222 -6.199 9.598 1.00 0.00 C ATOM 707 O LEU B 7 1.391 -6.316 9.233 1.00 0.00 O ATOM 708 CB LEU B 7 -0.136 -6.233 12.095 1.00 0.00 C ATOM 709 CG LEU B 7 -0.425 -5.441 13.395 1.00 0.00 C ATOM 710 CD1 LEU B 7 -0.421 -6.376 14.621 1.00 0.00 C ATOM 711 CD2 LEU B 7 0.551 -4.259 13.598 1.00 0.00 C ATOM 0 H LEU B 7 -2.181 -5.050 11.422 1.00 0.00 H new ATOM 0 HA LEU B 7 0.532 -4.542 10.886 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.862 -7.040 12.001 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.847 -6.697 12.172 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.421 -5.012 13.289 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.626 -5.797 15.521 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.189 -7.140 14.498 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.555 -6.853 14.711 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.304 -3.738 14.523 1.00 0.00 H new ATOM 0 HD22 LEU B 7 1.572 -4.636 13.655 1.00 0.00 H new ATOM 0 HD23 LEU B 7 0.466 -3.568 12.759 1.00 0.00 H new ATOM 723 N THR B 8 -0.784 -6.811 8.965 1.00 0.00 N ATOM 724 CA THR B 8 -0.558 -7.662 7.781 1.00 0.00 C ATOM 725 C THR B 8 -0.061 -6.859 6.566 1.00 0.00 C ATOM 726 O THR B 8 1.004 -7.102 5.996 1.00 0.00 O ATOM 727 CB THR B 8 -1.872 -8.409 7.435 1.00 0.00 C ATOM 728 OG1 THR B 8 -2.262 -9.220 8.546 1.00 0.00 O ATOM 729 CG2 THR B 8 -1.752 -9.308 6.187 1.00 0.00 C ATOM 0 H THR B 8 -1.761 -6.737 9.248 1.00 0.00 H new ATOM 0 HA THR B 8 0.228 -8.377 8.025 1.00 0.00 H new ATOM 0 HB THR B 8 -2.618 -7.645 7.216 1.00 0.00 H new ATOM 0 HG1 THR B 8 -3.093 -9.692 8.331 1.00 0.00 H new ATOM 0 HG21 THR B 8 -2.706 -9.801 6.001 1.00 0.00 H new ATOM 0 HG22 THR B 8 -1.484 -8.699 5.324 1.00 0.00 H new ATOM 0 HG23 THR B 8 -0.981 -10.060 6.353 1.00 0.00 H new ATOM 737 N ILE B 9 -0.868 -5.870 6.170 1.00 0.00 N ATOM 738 CA ILE B 9 -0.609 -5.093 4.941 1.00 0.00 C ATOM 739 C ILE B 9 0.520 -4.061 5.107 1.00 0.00 C ATOM 740 O ILE B 9 1.402 -3.907 4.265 1.00 0.00 O ATOM 741 CB ILE B 9 -1.925 -4.420 4.462 1.00 0.00 C ATOM 742 CG1 ILE B 9 -1.803 -3.824 3.039 1.00 0.00 C ATOM 743 CG2 ILE B 9 -2.434 -3.330 5.431 1.00 0.00 C ATOM 744 CD1 ILE B 9 -1.492 -4.871 1.951 1.00 0.00 C ATOM 0 H ILE B 9 -1.706 -5.584 6.677 1.00 0.00 H new ATOM 0 HA ILE B 9 -0.261 -5.790 4.179 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.657 -5.227 4.442 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -2.734 -3.317 2.786 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -1.018 -3.068 3.038 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.356 -2.898 5.041 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.626 -3.773 6.408 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.680 -2.549 5.528 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -1.421 -4.378 0.981 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -0.546 -5.362 2.178 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -2.289 -5.614 1.923 1.00 0.00 H new ATOM 756 N CYS B 10 0.476 -3.353 6.241 1.00 0.00 N ATOM 757 CA CYS B 10 1.399 -2.239 6.552 1.00 0.00 C ATOM 758 C CYS B 10 2.880 -2.445 6.196 1.00 0.00 C ATOM 759 O CYS B 10 3.470 -1.562 5.577 1.00 0.00 O ATOM 760 CB CYS B 10 1.269 -1.841 8.035 1.00 0.00 C ATOM 761 SG CYS B 10 -0.191 -0.807 8.306 1.00 0.00 S ATOM 0 H CYS B 10 -0.204 -3.533 6.979 1.00 0.00 H new ATOM 0 HA CYS B 10 1.073 -1.438 5.888 1.00 0.00 H new ATOM 0 HB2 CYS B 10 1.203 -2.738 8.651 1.00 0.00 H new ATOM 0 HB3 CYS B 10 2.163 -1.303 8.350 1.00 0.00 H new ATOM 766 N PRO B 11 3.540 -3.554 6.563 1.00 0.00 N ATOM 767 CA PRO B 11 4.952 -3.800 6.206 1.00 0.00 C ATOM 768 C PRO B 11 5.208 -3.700 4.694 1.00 0.00 C ATOM 769 O PRO B 11 6.175 -3.105 4.216 1.00 0.00 O ATOM 770 CB PRO B 11 5.242 -5.212 6.748 1.00 0.00 C ATOM 771 CG PRO B 11 3.864 -5.844 6.885 1.00 0.00 C ATOM 772 CD PRO B 11 2.994 -4.670 7.349 1.00 0.00 C ATOM 0 HA PRO B 11 5.613 -3.047 6.635 1.00 0.00 H new ATOM 0 HB2 PRO B 11 5.875 -5.779 6.066 1.00 0.00 H new ATOM 0 HB3 PRO B 11 5.760 -5.173 7.706 1.00 0.00 H new ATOM 0 HG2 PRO B 11 3.513 -6.258 5.940 1.00 0.00 H new ATOM 0 HG3 PRO B 11 3.863 -6.659 7.609 1.00 0.00 H new ATOM 0 HD2 PRO B 11 1.938 -4.838 7.140 1.00 0.00 H new ATOM 0 HD3 PRO B 11 3.083 -4.495 8.421 1.00 0.00 H new ATOM 780 N THR B 12 4.295 -4.309 3.932 1.00 0.00 N ATOM 781 CA THR B 12 4.321 -4.214 2.459 1.00 0.00 C ATOM 782 C THR B 12 4.187 -2.752 2.000 1.00 0.00 C ATOM 783 O THR B 12 4.922 -2.251 1.152 1.00 0.00 O ATOM 784 CB THR B 12 3.176 -5.062 1.850 1.00 0.00 C ATOM 785 OG1 THR B 12 3.228 -6.389 2.384 1.00 0.00 O ATOM 786 CG2 THR B 12 3.270 -5.154 0.312 1.00 0.00 C ATOM 0 H THR B 12 3.530 -4.872 4.303 1.00 0.00 H new ATOM 0 HA THR B 12 5.280 -4.599 2.111 1.00 0.00 H new ATOM 0 HB THR B 12 2.239 -4.569 2.108 1.00 0.00 H new ATOM 0 HG1 THR B 12 2.610 -6.966 1.888 1.00 0.00 H new ATOM 0 HG21 THR B 12 2.446 -5.758 -0.067 1.00 0.00 H new ATOM 0 HG22 THR B 12 3.213 -4.153 -0.116 1.00 0.00 H new ATOM 0 HG23 THR B 12 4.217 -5.615 0.032 1.00 0.00 H new ATOM 794 N LEU B 13 3.212 -2.055 2.596 1.00 0.00 N ATOM 795 CA LEU B 13 2.939 -0.641 2.267 1.00 0.00 C ATOM 796 C LEU B 13 4.157 0.272 2.475 1.00 0.00 C ATOM 797 O LEU B 13 4.405 1.218 1.731 1.00 0.00 O ATOM 798 CB LEU B 13 1.757 -0.106 3.107 1.00 0.00 C ATOM 799 CG LEU B 13 0.431 -0.871 2.897 1.00 0.00 C ATOM 800 CD1 LEU B 13 -0.689 -0.298 3.792 1.00 0.00 C ATOM 801 CD2 LEU B 13 -0.008 -0.885 1.417 1.00 0.00 C ATOM 0 H LEU B 13 2.596 -2.443 3.310 1.00 0.00 H new ATOM 0 HA LEU B 13 2.689 -0.621 1.206 1.00 0.00 H new ATOM 0 HB2 LEU B 13 2.026 -0.152 4.162 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.599 0.945 2.863 1.00 0.00 H new ATOM 0 HG LEU B 13 0.614 -1.905 3.190 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -1.610 -0.855 3.623 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.399 -0.385 4.839 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -0.850 0.752 3.546 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.945 -1.434 1.320 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -0.150 0.138 1.070 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.760 -1.369 0.814 1.00 0.00 H new ATOM 813 N LYS B 14 4.915 -0.010 3.539 1.00 0.00 N ATOM 814 CA LYS B 14 6.155 0.732 3.836 1.00 0.00 C ATOM 815 C LYS B 14 7.190 0.581 2.714 1.00 0.00 C ATOM 816 O LYS B 14 7.834 1.528 2.264 1.00 0.00 O ATOM 817 CB LYS B 14 6.759 0.241 5.172 1.00 0.00 C ATOM 818 CG LYS B 14 5.914 0.615 6.410 1.00 0.00 C ATOM 819 CD LYS B 14 5.869 2.138 6.668 1.00 0.00 C ATOM 820 CE LYS B 14 5.047 2.520 7.916 1.00 0.00 C ATOM 821 NZ LYS B 14 5.636 1.913 9.119 1.00 0.00 N ATOM 0 H LYS B 14 4.696 -0.745 4.211 1.00 0.00 H new ATOM 0 HA LYS B 14 5.897 1.788 3.915 1.00 0.00 H new ATOM 0 HB2 LYS B 14 6.871 -0.843 5.133 1.00 0.00 H new ATOM 0 HB3 LYS B 14 7.758 0.661 5.285 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.898 0.244 6.276 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.323 0.115 7.288 1.00 0.00 H new ATOM 0 HD2 LYS B 14 6.887 2.510 6.784 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.445 2.635 5.796 1.00 0.00 H new ATOM 0 HE2 LYS B 14 5.019 3.604 8.024 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.017 2.185 7.798 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.205 2.334 9.967 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 5.459 0.888 9.113 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 6.661 2.087 9.129 1.00 0.00 H new ATOM 835 N SER B 15 7.351 -0.667 2.265 1.00 0.00 N ATOM 836 CA SER B 15 8.253 -0.982 1.139 1.00 0.00 C ATOM 837 C SER B 15 7.871 -0.197 -0.129 1.00 0.00 C ATOM 838 O SER B 15 8.700 0.311 -0.883 1.00 0.00 O ATOM 839 CB SER B 15 8.215 -2.500 0.854 1.00 0.00 C ATOM 840 OG SER B 15 8.547 -3.225 2.041 1.00 0.00 O ATOM 0 H SER B 15 6.873 -1.478 2.658 1.00 0.00 H new ATOM 0 HA SER B 15 9.264 -0.685 1.420 1.00 0.00 H new ATOM 0 HB2 SER B 15 7.223 -2.789 0.506 1.00 0.00 H new ATOM 0 HB3 SER B 15 8.917 -2.747 0.058 1.00 0.00 H new ATOM 0 HG SER B 15 7.766 -3.260 2.632 1.00 0.00 H new ATOM 846 N MET B 16 6.556 -0.116 -0.358 1.00 0.00 N ATOM 847 CA MET B 16 5.991 0.681 -1.464 1.00 0.00 C ATOM 848 C MET B 16 6.324 2.176 -1.315 1.00 0.00 C ATOM 849 O MET B 16 6.730 2.868 -2.249 1.00 0.00 O ATOM 850 CB MET B 16 4.456 0.476 -1.488 1.00 0.00 C ATOM 851 CG MET B 16 3.758 1.200 -2.656 1.00 0.00 C ATOM 852 SD MET B 16 1.969 0.912 -2.703 1.00 0.00 S ATOM 853 CE MET B 16 1.461 1.687 -1.146 1.00 0.00 C ATOM 0 H MET B 16 5.855 -0.594 0.209 1.00 0.00 H new ATOM 0 HA MET B 16 6.433 0.344 -2.401 1.00 0.00 H new ATOM 0 HB2 MET B 16 4.241 -0.591 -1.551 1.00 0.00 H new ATOM 0 HB3 MET B 16 4.035 0.831 -0.547 1.00 0.00 H new ATOM 0 HG2 MET B 16 3.946 2.271 -2.576 1.00 0.00 H new ATOM 0 HG3 MET B 16 4.198 0.868 -3.596 1.00 0.00 H new ATOM 0 HE1 MET B 16 0.381 1.833 -1.148 1.00 0.00 H new ATOM 0 HE2 MET B 16 1.739 1.043 -0.311 1.00 0.00 H new ATOM 0 HE3 MET B 16 1.957 2.652 -1.041 1.00 0.00 H new ATOM 863 N ALA B 17 6.154 2.658 -0.079 1.00 0.00 N ATOM 864 CA ALA B 17 6.350 4.079 0.273 1.00 0.00 C ATOM 865 C ALA B 17 7.734 4.616 -0.118 1.00 0.00 C ATOM 866 O ALA B 17 7.918 5.787 -0.451 1.00 0.00 O ATOM 867 CB ALA B 17 6.140 4.260 1.791 1.00 0.00 C ATOM 0 H ALA B 17 5.876 2.076 0.711 1.00 0.00 H new ATOM 0 HA ALA B 17 5.617 4.652 -0.295 1.00 0.00 H new ATOM 0 HB1 ALA B 17 6.284 5.308 2.056 1.00 0.00 H new ATOM 0 HB2 ALA B 17 5.128 3.954 2.057 1.00 0.00 H new ATOM 0 HB3 ALA B 17 6.859 3.647 2.334 1.00 0.00 H new ATOM 873 N LYS B 18 8.724 3.718 -0.061 1.00 0.00 N ATOM 874 CA LYS B 18 10.125 4.045 -0.403 1.00 0.00 C ATOM 875 C LYS B 18 10.257 4.838 -1.713 1.00 0.00 C ATOM 876 O LYS B 18 11.059 5.762 -1.847 1.00 0.00 O ATOM 877 CB LYS B 18 10.950 2.741 -0.527 1.00 0.00 C ATOM 878 CG LYS B 18 10.928 1.815 0.714 1.00 0.00 C ATOM 879 CD LYS B 18 11.738 2.287 1.948 1.00 0.00 C ATOM 880 CE LYS B 18 11.280 3.611 2.598 1.00 0.00 C ATOM 881 NZ LYS B 18 9.834 3.578 2.862 1.00 0.00 N ATOM 0 H LYS B 18 8.585 2.748 0.221 1.00 0.00 H new ATOM 0 HA LYS B 18 10.503 4.674 0.403 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.580 2.179 -1.384 1.00 0.00 H new ATOM 0 HB3 LYS B 18 11.985 3.006 -0.742 1.00 0.00 H new ATOM 0 HG2 LYS B 18 9.890 1.680 1.019 1.00 0.00 H new ATOM 0 HG3 LYS B 18 11.303 0.836 0.415 1.00 0.00 H new ATOM 0 HD2 LYS B 18 11.699 1.503 2.704 1.00 0.00 H new ATOM 0 HD3 LYS B 18 12.782 2.393 1.653 1.00 0.00 H new ATOM 0 HE2 LYS B 18 11.823 3.773 3.529 1.00 0.00 H new ATOM 0 HE3 LYS B 18 11.517 4.448 1.941 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 9.350 4.246 2.229 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 9.472 2.618 2.693 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 9.655 3.847 3.851 1.00 0.00 H new ATOM 895 N LYS B 19 9.441 4.452 -2.700 1.00 0.00 N ATOM 896 CA LYS B 19 9.439 5.132 -4.008 1.00 0.00 C ATOM 897 C LYS B 19 8.006 5.340 -4.524 1.00 0.00 C ATOM 898 O LYS B 19 7.539 4.758 -5.504 1.00 0.00 O ATOM 899 CB LYS B 19 10.278 4.301 -5.009 1.00 0.00 C ATOM 900 CG LYS B 19 10.500 5.022 -6.358 1.00 0.00 C ATOM 901 CD LYS B 19 11.284 4.172 -7.382 1.00 0.00 C ATOM 902 CE LYS B 19 12.714 3.810 -6.924 1.00 0.00 C ATOM 903 NZ LYS B 19 13.493 5.037 -6.699 1.00 0.00 N ATOM 0 H LYS B 19 8.778 3.680 -2.624 1.00 0.00 H new ATOM 0 HA LYS B 19 9.885 6.121 -3.899 1.00 0.00 H new ATOM 0 HB2 LYS B 19 11.246 4.073 -4.562 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.779 3.349 -5.190 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.533 5.289 -6.783 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.039 5.953 -6.180 1.00 0.00 H new ATOM 0 HD2 LYS B 19 10.731 3.253 -7.577 1.00 0.00 H new ATOM 0 HD3 LYS B 19 11.341 4.716 -8.325 1.00 0.00 H new ATOM 0 HE2 LYS B 19 12.674 3.221 -6.008 1.00 0.00 H new ATOM 0 HE3 LYS B 19 13.202 3.192 -7.678 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 14.494 4.792 -6.557 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 13.403 5.662 -7.526 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 13.134 5.526 -5.855 1.00 0.00 H new ATOM 917 N CYS B 20 7.274 6.187 -3.793 1.00 0.00 N ATOM 918 CA CYS B 20 5.954 6.658 -4.257 1.00 0.00 C ATOM 919 C CYS B 20 6.006 8.084 -4.819 1.00 0.00 C ATOM 920 O CYS B 20 6.981 8.828 -4.700 1.00 0.00 O ATOM 921 CB CYS B 20 4.913 6.588 -3.122 1.00 0.00 C ATOM 922 SG CYS B 20 4.525 4.894 -2.628 1.00 0.00 S ATOM 0 H CYS B 20 7.563 6.560 -2.889 1.00 0.00 H new ATOM 0 HA CYS B 20 5.655 5.990 -5.065 1.00 0.00 H new ATOM 0 HB2 CYS B 20 5.288 7.136 -2.258 1.00 0.00 H new ATOM 0 HB3 CYS B 20 3.998 7.086 -3.443 1.00 0.00 H new ATOM 927 N GLU B 21 4.891 8.464 -5.452 1.00 0.00 N ATOM 928 CA GLU B 21 4.778 9.790 -6.086 1.00 0.00 C ATOM 929 C GLU B 21 4.321 10.854 -5.079 1.00 0.00 C ATOM 930 O GLU B 21 3.668 10.585 -4.070 1.00 0.00 O ATOM 931 CB GLU B 21 3.757 9.725 -7.249 1.00 0.00 C ATOM 932 CG GLU B 21 3.923 8.493 -8.174 1.00 0.00 C ATOM 933 CD GLU B 21 5.393 8.275 -8.559 1.00 0.00 C ATOM 934 OE1 GLU B 21 5.954 9.111 -9.267 1.00 0.00 O ATOM 935 OE2 GLU B 21 5.963 7.270 -8.134 1.00 0.00 O ATOM 0 H GLU B 21 4.059 7.881 -5.541 1.00 0.00 H new ATOM 0 HA GLU B 21 5.763 10.068 -6.461 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.750 9.719 -6.833 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.849 10.630 -7.849 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.542 7.604 -7.671 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.326 8.630 -9.075 1.00 0.00 H new ATOM 942 N GLY B 22 4.664 12.104 -5.406 1.00 0.00 N ATOM 943 CA GLY B 22 4.322 13.278 -4.577 1.00 0.00 C ATOM 944 C GLY B 22 4.916 13.197 -3.164 1.00 0.00 C ATOM 945 O GLY B 22 6.047 13.593 -2.883 1.00 0.00 O ATOM 0 H GLY B 22 5.186 12.337 -6.251 1.00 0.00 H new ATOM 0 HA2 GLY B 22 4.683 14.182 -5.068 1.00 0.00 H new ATOM 0 HA3 GLY B 22 3.238 13.365 -4.507 1.00 0.00 H new ATOM 949 N SER B 23 4.102 12.646 -2.259 1.00 0.00 N ATOM 950 CA SER B 23 4.515 12.389 -0.865 1.00 0.00 C ATOM 951 C SER B 23 3.514 11.430 -0.193 1.00 0.00 C ATOM 952 O SER B 23 3.084 11.563 0.954 1.00 0.00 O ATOM 953 CB SER B 23 4.589 13.736 -0.100 1.00 0.00 C ATOM 954 OG SER B 23 5.160 13.537 1.197 1.00 0.00 O ATOM 0 H SER B 23 3.143 12.365 -2.464 1.00 0.00 H new ATOM 0 HA SER B 23 5.499 11.920 -0.849 1.00 0.00 H new ATOM 0 HB2 SER B 23 5.189 14.450 -0.664 1.00 0.00 H new ATOM 0 HB3 SER B 23 3.591 14.164 -0.004 1.00 0.00 H new ATOM 0 HG SER B 23 5.203 14.394 1.670 1.00 0.00 H new ATOM 960 N ILE B 24 3.158 10.402 -0.967 1.00 0.00 N ATOM 961 CA ILE B 24 2.223 9.350 -0.524 1.00 0.00 C ATOM 962 C ILE B 24 2.787 8.505 0.627 1.00 0.00 C ATOM 963 O ILE B 24 2.067 7.976 1.472 1.00 0.00 O ATOM 964 CB ILE B 24 1.831 8.484 -1.751 1.00 0.00 C ATOM 965 CG1 ILE B 24 0.912 9.267 -2.722 1.00 0.00 C ATOM 966 CG2 ILE B 24 1.230 7.106 -1.390 1.00 0.00 C ATOM 967 CD1 ILE B 24 -0.438 9.699 -2.108 1.00 0.00 C ATOM 0 H ILE B 24 3.505 10.270 -1.917 1.00 0.00 H new ATOM 0 HA ILE B 24 1.329 9.822 -0.117 1.00 0.00 H new ATOM 0 HB ILE B 24 2.768 8.263 -2.262 1.00 0.00 H new ATOM 0 HG12 ILE B 24 1.441 10.155 -3.069 1.00 0.00 H new ATOM 0 HG13 ILE B 24 0.718 8.649 -3.599 1.00 0.00 H new ATOM 0 HG21 ILE B 24 0.984 6.566 -2.304 1.00 0.00 H new ATOM 0 HG22 ILE B 24 1.956 6.532 -0.814 1.00 0.00 H new ATOM 0 HG23 ILE B 24 0.326 7.247 -0.798 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -1.020 10.241 -2.854 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -0.991 8.816 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -0.257 10.345 -1.249 1.00 0.00 H new ATOM 979 N ALA B 25 4.117 8.370 0.632 1.00 0.00 N ATOM 980 CA ALA B 25 4.843 7.680 1.717 1.00 0.00 C ATOM 981 C ALA B 25 4.391 8.136 3.114 1.00 0.00 C ATOM 982 O ALA B 25 4.246 7.361 4.060 1.00 0.00 O ATOM 983 CB ALA B 25 6.349 7.969 1.558 1.00 0.00 C ATOM 0 H ALA B 25 4.721 8.730 -0.106 1.00 0.00 H new ATOM 0 HA ALA B 25 4.629 6.614 1.638 1.00 0.00 H new ATOM 0 HB1 ALA B 25 6.902 7.467 2.352 1.00 0.00 H new ATOM 0 HB2 ALA B 25 6.690 7.602 0.590 1.00 0.00 H new ATOM 0 HB3 ALA B 25 6.522 9.043 1.619 1.00 0.00 H new ATOM 989 N THR B 26 4.179 9.451 3.227 1.00 0.00 N ATOM 990 CA THR B 26 3.688 10.070 4.474 1.00 0.00 C ATOM 991 C THR B 26 2.343 9.473 4.917 1.00 0.00 C ATOM 992 O THR B 26 2.136 9.082 6.066 1.00 0.00 O ATOM 993 CB THR B 26 3.543 11.597 4.260 1.00 0.00 C ATOM 994 OG1 THR B 26 4.804 12.137 3.854 1.00 0.00 O ATOM 995 CG2 THR B 26 3.074 12.340 5.530 1.00 0.00 C ATOM 0 H THR B 26 4.339 10.115 2.469 1.00 0.00 H new ATOM 0 HA THR B 26 4.411 9.867 5.264 1.00 0.00 H new ATOM 0 HB THR B 26 2.782 11.741 3.493 1.00 0.00 H new ATOM 0 HG1 THR B 26 4.719 12.532 2.961 1.00 0.00 H new ATOM 0 HG21 THR B 26 2.991 13.406 5.318 1.00 0.00 H new ATOM 0 HG22 THR B 26 2.102 11.955 5.839 1.00 0.00 H new ATOM 0 HG23 THR B 26 3.797 12.185 6.330 1.00 0.00 H new ATOM 1003 N MET B 27 1.410 9.413 3.961 1.00 0.00 N ATOM 1004 CA MET B 27 0.059 8.866 4.207 1.00 0.00 C ATOM 1005 C MET B 27 0.096 7.409 4.690 1.00 0.00 C ATOM 1006 O MET B 27 -0.598 6.997 5.620 1.00 0.00 O ATOM 1007 CB MET B 27 -0.811 8.952 2.931 1.00 0.00 C ATOM 1008 CG MET B 27 -1.146 10.391 2.484 1.00 0.00 C ATOM 1009 SD MET B 27 0.307 11.348 1.985 1.00 0.00 S ATOM 1010 CE MET B 27 -0.484 12.910 1.529 1.00 0.00 C ATOM 0 H MET B 27 1.560 9.736 3.005 1.00 0.00 H new ATOM 0 HA MET B 27 -0.379 9.476 4.997 1.00 0.00 H new ATOM 0 HB2 MET B 27 -0.293 8.443 2.118 1.00 0.00 H new ATOM 0 HB3 MET B 27 -1.742 8.412 3.104 1.00 0.00 H new ATOM 0 HG2 MET B 27 -1.848 10.350 1.651 1.00 0.00 H new ATOM 0 HG3 MET B 27 -1.650 10.909 3.300 1.00 0.00 H new ATOM 0 HE1 MET B 27 0.275 13.618 1.196 1.00 0.00 H new ATOM 0 HE2 MET B 27 -1.197 12.735 0.723 1.00 0.00 H new ATOM 0 HE3 MET B 27 -1.007 13.319 2.393 1.00 0.00 H new ATOM 1020 N ILE B 28 0.931 6.613 4.012 1.00 0.00 N ATOM 1021 CA ILE B 28 1.128 5.194 4.366 1.00 0.00 C ATOM 1022 C ILE B 28 1.498 5.032 5.846 1.00 0.00 C ATOM 1023 O ILE B 28 0.858 4.323 6.621 1.00 0.00 O ATOM 1024 CB ILE B 28 2.246 4.590 3.470 1.00 0.00 C ATOM 1025 CG1 ILE B 28 1.852 4.543 1.974 1.00 0.00 C ATOM 1026 CG2 ILE B 28 2.733 3.210 3.971 1.00 0.00 C ATOM 1027 CD1 ILE B 28 0.617 3.665 1.687 1.00 0.00 C ATOM 0 H ILE B 28 1.484 6.924 3.213 1.00 0.00 H new ATOM 0 HA ILE B 28 0.191 4.664 4.198 1.00 0.00 H new ATOM 0 HB ILE B 28 3.090 5.274 3.555 1.00 0.00 H new ATOM 0 HG12 ILE B 28 1.655 5.557 1.627 1.00 0.00 H new ATOM 0 HG13 ILE B 28 2.696 4.167 1.396 1.00 0.00 H new ATOM 0 HG21 ILE B 28 3.513 2.837 3.308 1.00 0.00 H new ATOM 0 HG22 ILE B 28 3.132 3.309 4.980 1.00 0.00 H new ATOM 0 HG23 ILE B 28 1.897 2.510 3.979 1.00 0.00 H new ATOM 0 HD11 ILE B 28 0.400 3.680 0.619 1.00 0.00 H new ATOM 0 HD12 ILE B 28 0.817 2.641 2.002 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -0.241 4.053 2.237 1.00 0.00 H new ATOM 1039 N LYS B 29 2.568 5.733 6.227 1.00 0.00 N ATOM 1040 CA LYS B 29 3.095 5.683 7.602 1.00 0.00 C ATOM 1041 C LYS B 29 2.075 6.167 8.643 1.00 0.00 C ATOM 1042 O LYS B 29 1.952 5.637 9.747 1.00 0.00 O ATOM 1043 CB LYS B 29 4.381 6.534 7.672 1.00 0.00 C ATOM 1044 CG LYS B 29 5.074 6.478 9.052 1.00 0.00 C ATOM 1045 CD LYS B 29 6.402 7.264 9.097 1.00 0.00 C ATOM 1046 CE LYS B 29 7.475 6.690 8.148 1.00 0.00 C ATOM 1047 NZ LYS B 29 8.711 7.476 8.274 1.00 0.00 N ATOM 0 H LYS B 29 3.092 6.346 5.603 1.00 0.00 H new ATOM 0 HA LYS B 29 3.313 4.643 7.845 1.00 0.00 H new ATOM 0 HB2 LYS B 29 5.078 6.190 6.908 1.00 0.00 H new ATOM 0 HB3 LYS B 29 4.137 7.570 7.437 1.00 0.00 H new ATOM 0 HG2 LYS B 29 4.397 6.877 9.808 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.266 5.437 9.313 1.00 0.00 H new ATOM 0 HD2 LYS B 29 6.211 8.304 8.834 1.00 0.00 H new ATOM 0 HD3 LYS B 29 6.787 7.259 10.117 1.00 0.00 H new ATOM 0 HE2 LYS B 29 7.669 5.645 8.391 1.00 0.00 H new ATOM 0 HE3 LYS B 29 7.117 6.717 7.119 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 9.435 7.090 7.635 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 8.520 8.467 8.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 9.054 7.428 9.255 1.00 0.00 H new ATOM 1061 N LYS B 30 1.332 7.211 8.261 1.00 0.00 N ATOM 1062 CA LYS B 30 0.333 7.837 9.147 1.00 0.00 C ATOM 1063 C LYS B 30 -0.694 6.816 9.660 1.00 0.00 C ATOM 1064 O LYS B 30 -0.966 6.680 10.854 1.00 0.00 O ATOM 1065 CB LYS B 30 -0.384 8.966 8.368 1.00 0.00 C ATOM 1066 CG LYS B 30 -1.348 9.809 9.234 1.00 0.00 C ATOM 1067 CD LYS B 30 -0.651 10.552 10.396 1.00 0.00 C ATOM 1068 CE LYS B 30 0.435 11.540 9.917 1.00 0.00 C ATOM 1069 NZ LYS B 30 1.036 12.209 11.079 1.00 0.00 N ATOM 0 H LYS B 30 1.401 7.645 7.341 1.00 0.00 H new ATOM 0 HA LYS B 30 0.847 8.244 10.018 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.366 9.625 7.930 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.943 8.526 7.542 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -1.850 10.538 8.598 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -2.120 9.157 9.643 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.399 11.095 10.973 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -0.199 9.822 11.067 1.00 0.00 H new ATOM 0 HE2 LYS B 30 1.202 11.009 9.353 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -0.001 12.278 9.244 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 1.767 12.874 10.757 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 0.300 12.728 11.599 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 1.466 11.498 11.705 1.00 0.00 H new ATOM 1083 N LYS B 31 -1.276 6.082 8.707 1.00 0.00 N ATOM 1084 CA LYS B 31 -2.226 4.998 9.022 1.00 0.00 C ATOM 1085 C LYS B 31 -1.548 3.864 9.805 1.00 0.00 C ATOM 1086 O LYS B 31 -1.971 3.425 10.875 1.00 0.00 O ATOM 1087 CB LYS B 31 -2.797 4.420 7.705 1.00 0.00 C ATOM 1088 CG LYS B 31 -3.543 5.451 6.830 1.00 0.00 C ATOM 1089 CD LYS B 31 -4.778 6.061 7.526 1.00 0.00 C ATOM 1090 CE LYS B 31 -5.547 7.043 6.618 1.00 0.00 C ATOM 1091 NZ LYS B 31 -6.065 6.333 5.439 1.00 0.00 N ATOM 0 H LYS B 31 -1.109 6.215 7.709 1.00 0.00 H new ATOM 0 HA LYS B 31 -3.022 5.417 9.638 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -1.979 3.992 7.125 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -3.478 3.604 7.945 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -2.855 6.252 6.558 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -3.857 4.971 5.903 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.448 5.259 7.837 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -4.461 6.581 8.430 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -6.370 7.495 7.171 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -4.889 7.854 6.305 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -5.616 6.711 4.581 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -5.851 5.319 5.523 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -7.095 6.466 5.378 1.00 0.00 H new ATOM 1105 N CYS B 32 -0.449 3.391 9.215 1.00 0.00 N ATOM 1106 CA CYS B 32 0.333 2.258 9.742 1.00 0.00 C ATOM 1107 C CYS B 32 1.148 2.591 11.001 1.00 0.00 C ATOM 1108 O CYS B 32 1.052 3.648 11.626 1.00 0.00 O ATOM 1109 CB CYS B 32 1.259 1.767 8.607 1.00 0.00 C ATOM 1110 SG CYS B 32 0.321 0.890 7.336 1.00 0.00 S ATOM 0 H CYS B 32 -0.069 3.782 8.353 1.00 0.00 H new ATOM 0 HA CYS B 32 -0.364 1.482 10.059 1.00 0.00 H new ATOM 0 HB2 CYS B 32 1.775 2.617 8.161 1.00 0.00 H new ATOM 0 HB3 CYS B 32 2.025 1.109 9.017 1.00 0.00 H new