USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 752 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 32 SER OG : rot 180:sc= -3.03! USER MOD Set 1.2: A 64 MET CE :methyl -141:sc= -4.66! (180deg=-3.87!) USER MOD Set 2.1: A 42 ASN : amide:sc= -5.16! C(o=-5.2!,f=-2.3!) USER MOD Set 2.2: A 43 SER OG : rot -70:sc= -0.0124 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.263) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 121:sc= -0.0922 USER MOD Single : A 23 SER OG : rot 88:sc= 1.23 USER MOD Single : A 25 SER OG : rot 101:sc= -0.546! USER MOD Single : A 28 ASN : amide:sc= -1.71! X(o=-1.7!,f=-1.4) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 77:sc= -5.96! USER MOD Single : A 61 HIS : no HD1:sc= -2.85 K(o=-2.8,f=-1.7) USER MOD Single : A 74 MET CE :methyl -127:sc= -3.11! (180deg=-5.52!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 98:sc= -2.19! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -160:sc= -0.136 (180deg=-0.8) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 164:sc= -0.685 (180deg=-0.919) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 6 -14.502 -3.643 18.688 1.00 0.00 N ATOM 2 CA PRO A 6 -13.335 -2.785 19.005 1.00 0.00 C ATOM 3 C PRO A 6 -12.683 -2.264 17.720 1.00 0.00 C ATOM 4 O PRO A 6 -13.239 -2.357 16.644 1.00 0.00 O ATOM 5 CB PRO A 6 -12.389 -3.727 19.744 1.00 0.00 C ATOM 6 CG PRO A 6 -12.754 -5.099 19.270 1.00 0.00 C ATOM 7 CD PRO A 6 -14.210 -5.067 18.878 1.00 0.00 C ATOM 0 HA PRO A 6 -13.601 -1.904 19.590 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.348 -3.496 19.519 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.509 -3.638 20.824 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.134 -5.390 18.422 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.584 -5.835 20.056 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -14.389 -5.635 17.965 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -14.840 -5.503 19.653 1.00 0.00 H new ATOM 15 N TRP A 7 -11.502 -1.720 17.830 1.00 0.00 N ATOM 16 CA TRP A 7 -10.799 -1.191 16.626 1.00 0.00 C ATOM 17 C TRP A 7 -10.066 -2.329 15.909 1.00 0.00 C ATOM 18 O TRP A 7 -9.332 -3.081 16.519 1.00 0.00 O ATOM 19 CB TRP A 7 -9.800 -0.172 17.180 1.00 0.00 C ATOM 20 CG TRP A 7 -9.021 0.441 16.062 1.00 0.00 C ATOM 21 CD1 TRP A 7 -9.380 0.414 14.760 1.00 0.00 C ATOM 22 CD2 TRP A 7 -7.761 1.172 16.124 1.00 0.00 C ATOM 23 NE1 TRP A 7 -8.419 1.079 14.017 1.00 0.00 N ATOM 24 CE2 TRP A 7 -7.401 1.564 14.814 1.00 0.00 C ATOM 25 CE3 TRP A 7 -6.902 1.527 17.182 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -6.232 2.285 14.562 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -5.726 2.251 16.931 1.00 0.00 C ATOM 28 CH2 TRP A 7 -5.391 2.629 15.624 1.00 0.00 C ATOM 0 H TRP A 7 -10.991 -1.619 18.707 1.00 0.00 H new ATOM 0 HA TRP A 7 -11.480 -0.745 15.902 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -10.329 0.604 17.734 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.123 -0.659 17.882 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.271 -0.050 14.363 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -8.458 1.196 13.005 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.150 1.240 18.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.979 2.575 13.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.075 2.518 17.750 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.484 3.185 15.438 1.00 0.00 H new ATOM 39 N ALA A 8 -10.260 -2.464 14.622 1.00 0.00 N ATOM 40 CA ALA A 8 -9.569 -3.556 13.872 1.00 0.00 C ATOM 41 C ALA A 8 -8.128 -3.690 14.358 1.00 0.00 C ATOM 42 O ALA A 8 -7.565 -4.766 14.383 1.00 0.00 O ATOM 43 CB ALA A 8 -9.600 -3.124 12.408 1.00 0.00 C ATOM 0 H ALA A 8 -10.866 -1.867 14.059 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.051 -4.523 14.017 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.109 -3.880 11.795 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.635 -3.010 12.084 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.079 -2.173 12.298 1.00 0.00 H new ATOM 49 N VAL A 9 -7.532 -2.601 14.753 1.00 0.00 N ATOM 50 CA VAL A 9 -6.130 -2.662 15.248 1.00 0.00 C ATOM 51 C VAL A 9 -6.130 -2.912 16.757 1.00 0.00 C ATOM 52 O VAL A 9 -7.068 -2.575 17.452 1.00 0.00 O ATOM 53 CB VAL A 9 -5.530 -1.294 14.925 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.154 -1.172 15.584 1.00 0.00 C ATOM 55 CG2 VAL A 9 -5.379 -1.149 13.408 1.00 0.00 C ATOM 0 H VAL A 9 -7.954 -1.673 14.755 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.558 -3.467 14.787 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.187 -0.511 15.304 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.726 -0.196 15.354 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.257 -1.277 16.664 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.498 -1.955 15.204 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.951 -0.174 13.177 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.721 -1.932 13.031 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.357 -1.238 12.935 1.00 0.00 H new ATOM 65 N LYS A 10 -5.092 -3.508 17.268 1.00 0.00 N ATOM 66 CA LYS A 10 -5.037 -3.788 18.730 1.00 0.00 C ATOM 67 C LYS A 10 -4.198 -2.720 19.433 1.00 0.00 C ATOM 68 O LYS A 10 -3.501 -1.960 18.789 1.00 0.00 O ATOM 69 CB LYS A 10 -4.369 -5.162 18.835 1.00 0.00 C ATOM 70 CG LYS A 10 -4.997 -6.122 17.822 1.00 0.00 C ATOM 71 CD LYS A 10 -5.730 -7.241 18.562 1.00 0.00 C ATOM 72 CE LYS A 10 -6.411 -8.160 17.547 1.00 0.00 C ATOM 73 NZ LYS A 10 -7.306 -9.032 18.356 1.00 0.00 N ATOM 0 H LYS A 10 -4.277 -3.814 16.737 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.020 -3.777 19.200 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.299 -5.071 18.649 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.485 -5.557 19.844 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.691 -5.583 17.177 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.225 -6.543 17.178 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.028 -7.810 19.171 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.471 -6.819 19.241 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.977 -7.586 16.813 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.679 -8.750 16.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.809 -9.691 17.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.739 -9.571 19.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.997 -8.444 18.865 1.00 0.00 H new ATOM 87 N PRO A 11 -4.286 -2.696 20.737 1.00 0.00 N ATOM 88 CA PRO A 11 -3.513 -1.708 21.530 1.00 0.00 C ATOM 89 C PRO A 11 -2.018 -2.002 21.406 1.00 0.00 C ATOM 90 O PRO A 11 -1.196 -1.107 21.396 1.00 0.00 O ATOM 91 CB PRO A 11 -4.012 -1.926 22.958 1.00 0.00 C ATOM 92 CG PRO A 11 -4.533 -3.326 22.968 1.00 0.00 C ATOM 93 CD PRO A 11 -5.092 -3.575 21.592 1.00 0.00 C ATOM 0 HA PRO A 11 -3.648 -0.677 21.202 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.208 -1.798 23.682 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.793 -1.211 23.218 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.739 -4.035 23.200 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.303 -3.450 23.729 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.993 -4.621 21.301 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.152 -3.328 21.538 1.00 0.00 H new ATOM 101 N GLU A 12 -1.666 -3.250 21.295 1.00 0.00 N ATOM 102 CA GLU A 12 -0.228 -3.612 21.149 1.00 0.00 C ATOM 103 C GLU A 12 0.225 -3.320 19.721 1.00 0.00 C ATOM 104 O GLU A 12 1.391 -3.103 19.457 1.00 0.00 O ATOM 105 CB GLU A 12 -0.162 -5.109 21.440 1.00 0.00 C ATOM 106 CG GLU A 12 -0.978 -5.870 20.394 1.00 0.00 C ATOM 107 CD GLU A 12 -1.685 -7.054 21.058 1.00 0.00 C ATOM 108 OE1 GLU A 12 -1.477 -7.254 22.242 1.00 0.00 O ATOM 109 OE2 GLU A 12 -2.423 -7.740 20.370 1.00 0.00 O ATOM 0 H GLU A 12 -2.313 -4.039 21.299 1.00 0.00 H new ATOM 0 HA GLU A 12 0.419 -3.046 21.819 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.874 -5.448 21.425 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.550 -5.313 22.438 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.711 -5.206 19.936 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.326 -6.224 19.596 1.00 0.00 H new ATOM 116 N ASP A 13 -0.697 -3.296 18.801 1.00 0.00 N ATOM 117 CA ASP A 13 -0.335 -2.997 17.393 1.00 0.00 C ATOM 118 C ASP A 13 -0.249 -1.485 17.223 1.00 0.00 C ATOM 119 O ASP A 13 0.620 -0.966 16.554 1.00 0.00 O ATOM 120 CB ASP A 13 -1.473 -3.581 16.553 1.00 0.00 C ATOM 121 CG ASP A 13 -1.145 -5.031 16.194 1.00 0.00 C ATOM 122 OD1 ASP A 13 -0.114 -5.512 16.636 1.00 0.00 O ATOM 123 OD2 ASP A 13 -1.928 -5.637 15.481 1.00 0.00 O ATOM 0 H ASP A 13 -1.688 -3.471 18.966 1.00 0.00 H new ATOM 0 HA ASP A 13 0.625 -3.419 17.096 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.410 -3.535 17.108 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.610 -2.992 15.646 1.00 0.00 H new ATOM 128 N LYS A 14 -1.140 -0.774 17.856 1.00 0.00 N ATOM 129 CA LYS A 14 -1.110 0.708 17.766 1.00 0.00 C ATOM 130 C LYS A 14 0.169 1.220 18.427 1.00 0.00 C ATOM 131 O LYS A 14 0.623 2.318 18.171 1.00 0.00 O ATOM 132 CB LYS A 14 -2.345 1.174 18.540 1.00 0.00 C ATOM 133 CG LYS A 14 -2.251 2.677 18.823 1.00 0.00 C ATOM 134 CD LYS A 14 -2.596 3.465 17.557 1.00 0.00 C ATOM 135 CE LYS A 14 -1.794 4.768 17.531 1.00 0.00 C ATOM 136 NZ LYS A 14 -2.344 5.582 18.652 1.00 0.00 N ATOM 0 H LYS A 14 -1.888 -1.158 18.433 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.120 1.076 16.740 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.246 0.960 17.966 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.426 0.624 19.477 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.933 2.948 19.629 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.245 2.931 19.158 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.370 2.869 16.673 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.664 3.682 17.531 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.729 4.579 17.666 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.908 5.282 16.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.049 6.573 18.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.382 5.526 18.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.984 5.215 19.556 1.00 0.00 H new ATOM 150 N ALA A 15 0.760 0.416 19.269 1.00 0.00 N ATOM 151 CA ALA A 15 2.019 0.833 19.944 1.00 0.00 C ATOM 152 C ALA A 15 3.170 0.716 18.953 1.00 0.00 C ATOM 153 O ALA A 15 4.002 1.594 18.843 1.00 0.00 O ATOM 154 CB ALA A 15 2.196 -0.148 21.103 1.00 0.00 C ATOM 0 H ALA A 15 0.423 -0.514 19.518 1.00 0.00 H new ATOM 0 HA ALA A 15 1.993 1.863 20.301 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.107 0.096 21.650 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.340 -0.077 21.774 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.268 -1.163 20.713 1.00 0.00 H new ATOM 160 N LYS A 16 3.206 -0.352 18.204 1.00 0.00 N ATOM 161 CA LYS A 16 4.281 -0.499 17.197 1.00 0.00 C ATOM 162 C LYS A 16 3.906 0.350 15.981 1.00 0.00 C ATOM 163 O LYS A 16 4.749 0.793 15.227 1.00 0.00 O ATOM 164 CB LYS A 16 4.338 -2.005 16.887 1.00 0.00 C ATOM 165 CG LYS A 16 3.608 -2.322 15.582 1.00 0.00 C ATOM 166 CD LYS A 16 3.888 -3.771 15.181 1.00 0.00 C ATOM 167 CE LYS A 16 2.841 -4.689 15.816 1.00 0.00 C ATOM 168 NZ LYS A 16 2.953 -5.972 15.069 1.00 0.00 N ATOM 0 H LYS A 16 2.539 -1.122 18.249 1.00 0.00 H new ATOM 0 HA LYS A 16 5.262 -0.158 17.529 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.377 -2.326 16.814 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.888 -2.566 17.706 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.536 -2.168 15.706 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.938 -1.645 14.794 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.864 -3.870 14.096 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.887 -4.062 15.505 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.034 -4.833 16.879 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.840 -4.267 15.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.265 -6.655 15.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.757 -5.805 14.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.915 -6.354 15.177 1.00 0.00 H new ATOM 182 N TYR A 17 2.632 0.607 15.813 1.00 0.00 N ATOM 183 CA TYR A 17 2.186 1.459 14.674 1.00 0.00 C ATOM 184 C TYR A 17 2.527 2.909 15.008 1.00 0.00 C ATOM 185 O TYR A 17 2.865 3.701 14.153 1.00 0.00 O ATOM 186 CB TYR A 17 0.664 1.289 14.597 1.00 0.00 C ATOM 187 CG TYR A 17 0.299 -0.110 14.153 1.00 0.00 C ATOM 188 CD1 TYR A 17 1.276 -1.110 14.075 1.00 0.00 C ATOM 189 CD2 TYR A 17 -1.032 -0.406 13.829 1.00 0.00 C ATOM 190 CE1 TYR A 17 0.923 -2.402 13.674 1.00 0.00 C ATOM 191 CE2 TYR A 17 -1.386 -1.700 13.428 1.00 0.00 C ATOM 192 CZ TYR A 17 -0.409 -2.699 13.352 1.00 0.00 C ATOM 193 OH TYR A 17 -0.756 -3.977 12.959 1.00 0.00 O ATOM 0 H TYR A 17 1.885 0.263 16.416 1.00 0.00 H new ATOM 0 HA TYR A 17 2.661 1.189 13.731 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.222 1.492 15.572 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.248 2.016 13.900 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.302 -0.883 14.325 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.786 0.365 13.889 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.677 -3.172 13.612 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.412 -1.927 13.178 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.430 -4.337 13.573 1.00 0.00 H new ATOM 203 N ASP A 18 2.439 3.246 16.266 1.00 0.00 N ATOM 204 CA ASP A 18 2.756 4.634 16.702 1.00 0.00 C ATOM 205 C ASP A 18 4.269 4.813 16.811 1.00 0.00 C ATOM 206 O ASP A 18 4.766 5.909 16.980 1.00 0.00 O ATOM 207 CB ASP A 18 2.102 4.767 18.076 1.00 0.00 C ATOM 208 CG ASP A 18 2.126 6.230 18.516 1.00 0.00 C ATOM 209 OD1 ASP A 18 3.211 6.748 18.726 1.00 0.00 O ATOM 210 OD2 ASP A 18 1.059 6.809 18.635 1.00 0.00 O ATOM 0 H ASP A 18 2.159 2.613 17.015 1.00 0.00 H new ATOM 0 HA ASP A 18 2.395 5.386 16.001 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.075 4.405 18.037 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.630 4.150 18.803 1.00 0.00 H new ATOM 215 N ALA A 19 5.006 3.746 16.688 1.00 0.00 N ATOM 216 CA ALA A 19 6.486 3.855 16.754 1.00 0.00 C ATOM 217 C ALA A 19 6.997 3.944 15.328 1.00 0.00 C ATOM 218 O ALA A 19 7.912 4.681 15.014 1.00 0.00 O ATOM 219 CB ALA A 19 6.959 2.568 17.423 1.00 0.00 C ATOM 0 H ALA A 19 4.646 2.803 16.544 1.00 0.00 H new ATOM 0 HA ALA A 19 6.840 4.725 17.307 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.046 2.579 17.505 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.520 2.493 18.418 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.649 1.712 16.824 1.00 0.00 H new ATOM 225 N ILE A 20 6.366 3.217 14.455 1.00 0.00 N ATOM 226 CA ILE A 20 6.743 3.261 13.030 1.00 0.00 C ATOM 227 C ILE A 20 6.205 4.566 12.456 1.00 0.00 C ATOM 228 O ILE A 20 6.734 5.121 11.513 1.00 0.00 O ATOM 229 CB ILE A 20 6.030 2.061 12.418 1.00 0.00 C ATOM 230 CG1 ILE A 20 6.739 0.767 12.821 1.00 0.00 C ATOM 231 CG2 ILE A 20 6.038 2.194 10.906 1.00 0.00 C ATOM 232 CD1 ILE A 20 5.745 -0.396 12.750 1.00 0.00 C ATOM 0 H ILE A 20 5.595 2.587 14.677 1.00 0.00 H new ATOM 0 HA ILE A 20 7.816 3.222 12.843 1.00 0.00 H new ATOM 0 HB ILE A 20 5.003 2.029 12.781 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.584 0.580 12.158 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.140 0.857 13.831 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.529 1.338 10.463 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.523 3.111 10.619 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.067 2.229 10.549 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.246 -1.321 13.036 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.915 -0.207 13.431 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.366 -0.489 11.732 1.00 0.00 H new ATOM 244 N PHE A 21 5.155 5.064 13.052 1.00 0.00 N ATOM 245 CA PHE A 21 4.561 6.345 12.593 1.00 0.00 C ATOM 246 C PHE A 21 5.460 7.493 13.061 1.00 0.00 C ATOM 247 O PHE A 21 5.655 8.473 12.370 1.00 0.00 O ATOM 248 CB PHE A 21 3.176 6.392 13.264 1.00 0.00 C ATOM 249 CG PHE A 21 2.811 7.812 13.645 1.00 0.00 C ATOM 250 CD1 PHE A 21 3.408 8.408 14.762 1.00 0.00 C ATOM 251 CD2 PHE A 21 1.880 8.528 12.882 1.00 0.00 C ATOM 252 CE1 PHE A 21 3.075 9.720 15.118 1.00 0.00 C ATOM 253 CE2 PHE A 21 1.547 9.842 13.239 1.00 0.00 C ATOM 254 CZ PHE A 21 2.145 10.438 14.356 1.00 0.00 C ATOM 0 H PHE A 21 4.681 4.631 13.845 1.00 0.00 H new ATOM 0 HA PHE A 21 4.471 6.430 11.510 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.424 5.988 12.586 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.176 5.761 14.153 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.126 7.855 15.350 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.419 8.068 12.020 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.535 10.179 15.981 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.829 10.395 12.652 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.889 11.451 14.630 1.00 0.00 H new ATOM 264 N ASP A 22 6.015 7.360 14.234 1.00 0.00 N ATOM 265 CA ASP A 22 6.915 8.419 14.768 1.00 0.00 C ATOM 266 C ASP A 22 8.360 8.131 14.351 1.00 0.00 C ATOM 267 O ASP A 22 9.270 8.861 14.688 1.00 0.00 O ATOM 268 CB ASP A 22 6.763 8.339 16.288 1.00 0.00 C ATOM 269 CG ASP A 22 7.923 9.078 16.960 1.00 0.00 C ATOM 270 OD1 ASP A 22 7.991 10.288 16.817 1.00 0.00 O ATOM 271 OD2 ASP A 22 8.722 8.422 17.606 1.00 0.00 O ATOM 0 H ASP A 22 5.882 6.557 14.849 1.00 0.00 H new ATOM 0 HA ASP A 22 6.665 9.410 14.390 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.813 8.779 16.592 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.748 7.297 16.608 1.00 0.00 H new ATOM 276 N SER A 23 8.572 7.082 13.602 1.00 0.00 N ATOM 277 CA SER A 23 9.953 6.760 13.142 1.00 0.00 C ATOM 278 C SER A 23 10.169 7.377 11.762 1.00 0.00 C ATOM 279 O SER A 23 11.230 7.284 11.178 1.00 0.00 O ATOM 280 CB SER A 23 10.005 5.236 13.070 1.00 0.00 C ATOM 281 OG SER A 23 10.442 4.720 14.320 1.00 0.00 O ATOM 0 H SER A 23 7.848 6.435 13.289 1.00 0.00 H new ATOM 0 HA SER A 23 10.727 7.150 13.804 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.020 4.839 12.824 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.683 4.921 12.277 1.00 0.00 H new ATOM 0 HG SER A 23 9.669 4.584 14.906 1.00 0.00 H new ATOM 287 N LEU A 24 9.156 8.014 11.248 1.00 0.00 N ATOM 288 CA LEU A 24 9.255 8.663 9.912 1.00 0.00 C ATOM 289 C LEU A 24 9.142 10.179 10.086 1.00 0.00 C ATOM 290 O LEU A 24 9.204 10.927 9.133 1.00 0.00 O ATOM 291 CB LEU A 24 8.058 8.146 9.095 1.00 0.00 C ATOM 292 CG LEU A 24 7.485 6.859 9.698 1.00 0.00 C ATOM 293 CD1 LEU A 24 6.217 6.464 8.939 1.00 0.00 C ATOM 294 CD2 LEU A 24 8.514 5.734 9.584 1.00 0.00 C ATOM 0 H LEU A 24 8.249 8.114 11.704 1.00 0.00 H new ATOM 0 HA LEU A 24 10.200 8.438 9.418 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.282 8.910 9.060 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.370 7.961 8.067 1.00 0.00 H new ATOM 0 HG LEU A 24 7.247 7.027 10.748 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.808 5.549 9.366 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.480 7.263 9.020 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.458 6.298 7.889 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.103 4.820 10.014 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.754 5.565 8.534 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.420 6.013 10.123 1.00 0.00 H new ATOM 306 N SER A 25 8.950 10.623 11.308 1.00 0.00 N ATOM 307 CA SER A 25 8.804 12.089 11.596 1.00 0.00 C ATOM 308 C SER A 25 7.366 12.531 11.309 1.00 0.00 C ATOM 309 O SER A 25 7.033 12.903 10.202 1.00 0.00 O ATOM 310 CB SER A 25 9.792 12.818 10.679 1.00 0.00 C ATOM 311 OG SER A 25 10.957 12.020 10.514 1.00 0.00 O ATOM 0 H SER A 25 8.887 10.023 12.130 1.00 0.00 H new ATOM 0 HA SER A 25 9.015 12.316 12.641 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.331 13.013 9.711 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.057 13.785 11.107 1.00 0.00 H new ATOM 0 HG SER A 25 10.922 11.565 9.647 1.00 0.00 H new ATOM 317 N PRO A 26 6.561 12.459 12.334 1.00 0.00 N ATOM 318 CA PRO A 26 5.134 12.841 12.223 1.00 0.00 C ATOM 319 C PRO A 26 4.983 14.360 12.171 1.00 0.00 C ATOM 320 O PRO A 26 5.751 15.098 12.754 1.00 0.00 O ATOM 321 CB PRO A 26 4.513 12.283 13.498 1.00 0.00 C ATOM 322 CG PRO A 26 5.640 12.204 14.477 1.00 0.00 C ATOM 323 CD PRO A 26 6.910 12.017 13.687 1.00 0.00 C ATOM 0 HA PRO A 26 4.663 12.459 11.318 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.717 12.931 13.865 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.072 11.302 13.325 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.691 13.112 15.077 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.491 11.374 15.167 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.727 12.608 14.101 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.234 10.976 13.695 1.00 0.00 H new ATOM 331 N VAL A 27 3.984 14.824 11.479 1.00 0.00 N ATOM 332 CA VAL A 27 3.753 16.292 11.377 1.00 0.00 C ATOM 333 C VAL A 27 2.372 16.634 11.942 1.00 0.00 C ATOM 334 O VAL A 27 1.356 16.306 11.362 1.00 0.00 O ATOM 335 CB VAL A 27 3.815 16.601 9.881 1.00 0.00 C ATOM 336 CG1 VAL A 27 3.503 18.080 9.652 1.00 0.00 C ATOM 337 CG2 VAL A 27 5.216 16.283 9.352 1.00 0.00 C ATOM 0 H VAL A 27 3.311 14.246 10.975 1.00 0.00 H new ATOM 0 HA VAL A 27 4.485 16.873 11.938 1.00 0.00 H new ATOM 0 HB VAL A 27 3.082 15.991 9.353 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.547 18.300 8.585 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.504 18.304 10.028 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.235 18.692 10.180 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.261 16.503 8.285 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.951 16.891 9.879 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.435 15.228 9.514 1.00 0.00 H new ATOM 347 N ASN A 28 2.322 17.279 13.076 1.00 0.00 N ATOM 348 CA ASN A 28 1.000 17.623 13.673 1.00 0.00 C ATOM 349 C ASN A 28 0.165 16.351 13.836 1.00 0.00 C ATOM 350 O ASN A 28 -1.047 16.392 13.891 1.00 0.00 O ATOM 351 CB ASN A 28 0.342 18.572 12.670 1.00 0.00 C ATOM 352 CG ASN A 28 -1.079 18.900 13.135 1.00 0.00 C ATOM 353 OD1 ASN A 28 -1.276 19.792 13.936 1.00 0.00 O ATOM 354 ND2 ASN A 28 -2.084 18.213 12.666 1.00 0.00 N ATOM 0 H ASN A 28 3.135 17.581 13.613 1.00 0.00 H new ATOM 0 HA ASN A 28 1.092 18.081 14.658 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.927 19.487 12.581 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.316 18.113 11.682 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.034 18.425 12.972 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.920 17.464 11.993 1.00 0.00 H new ATOM 361 N GLY A 29 0.812 15.218 13.908 1.00 0.00 N ATOM 362 CA GLY A 29 0.067 13.938 14.059 1.00 0.00 C ATOM 363 C GLY A 29 -0.189 13.341 12.675 1.00 0.00 C ATOM 364 O GLY A 29 -1.216 12.745 12.426 1.00 0.00 O ATOM 0 H GLY A 29 1.827 15.126 13.868 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.639 13.240 14.670 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.878 14.111 14.574 1.00 0.00 H new ATOM 368 N PHE A 30 0.735 13.503 11.770 1.00 0.00 N ATOM 369 CA PHE A 30 0.543 12.946 10.401 1.00 0.00 C ATOM 370 C PHE A 30 1.879 12.608 9.754 1.00 0.00 C ATOM 371 O PHE A 30 2.892 13.218 10.027 1.00 0.00 O ATOM 372 CB PHE A 30 -0.152 14.055 9.614 1.00 0.00 C ATOM 373 CG PHE A 30 -1.544 14.219 10.148 1.00 0.00 C ATOM 374 CD1 PHE A 30 -2.558 13.373 9.701 1.00 0.00 C ATOM 375 CD2 PHE A 30 -1.815 15.207 11.096 1.00 0.00 C ATOM 376 CE1 PHE A 30 -3.855 13.514 10.206 1.00 0.00 C ATOM 377 CE2 PHE A 30 -3.108 15.351 11.602 1.00 0.00 C ATOM 378 CZ PHE A 30 -4.132 14.504 11.158 1.00 0.00 C ATOM 0 H PHE A 30 1.615 13.997 11.918 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.037 12.023 10.424 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.402 14.989 9.707 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.180 13.806 8.553 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.343 12.611 8.967 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.025 15.859 11.438 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.643 12.860 9.862 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.319 16.115 12.336 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.133 14.614 11.549 1.00 0.00 H new ATOM 388 N LEU A 31 1.874 11.661 8.866 1.00 0.00 N ATOM 389 CA LEU A 31 3.133 11.307 8.158 1.00 0.00 C ATOM 390 C LEU A 31 2.902 11.468 6.667 1.00 0.00 C ATOM 391 O LEU A 31 1.956 10.946 6.123 1.00 0.00 O ATOM 392 CB LEU A 31 3.427 9.852 8.488 1.00 0.00 C ATOM 393 CG LEU A 31 4.078 9.760 9.866 1.00 0.00 C ATOM 394 CD1 LEU A 31 4.111 8.300 10.318 1.00 0.00 C ATOM 395 CD2 LEU A 31 5.506 10.305 9.784 1.00 0.00 C ATOM 0 H LEU A 31 1.055 11.116 8.598 1.00 0.00 H new ATOM 0 HA LEU A 31 3.967 11.941 8.458 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.505 9.271 8.471 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.087 9.424 7.734 1.00 0.00 H new ATOM 0 HG LEU A 31 3.504 10.346 10.584 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.576 8.234 11.302 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.094 7.912 10.371 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.687 7.711 9.604 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.976 10.242 10.765 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.080 9.716 9.068 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.480 11.345 9.460 1.00 0.00 H new ATOM 407 N SER A 32 3.743 12.191 6.006 1.00 0.00 N ATOM 408 CA SER A 32 3.546 12.395 4.545 1.00 0.00 C ATOM 409 C SER A 32 4.019 11.176 3.765 1.00 0.00 C ATOM 410 O SER A 32 5.049 10.601 4.059 1.00 0.00 O ATOM 411 CB SER A 32 4.385 13.619 4.185 1.00 0.00 C ATOM 412 OG SER A 32 4.892 14.213 5.373 1.00 0.00 O ATOM 0 H SER A 32 4.560 12.652 6.406 1.00 0.00 H new ATOM 0 HA SER A 32 2.494 12.539 4.297 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.208 13.330 3.531 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.779 14.339 3.636 1.00 0.00 H new ATOM 0 HG SER A 32 5.432 14.998 5.142 1.00 0.00 H new ATOM 418 N GLY A 33 3.269 10.782 2.772 1.00 0.00 N ATOM 419 CA GLY A 33 3.666 9.596 1.954 1.00 0.00 C ATOM 420 C GLY A 33 5.184 9.600 1.750 1.00 0.00 C ATOM 421 O GLY A 33 5.819 8.566 1.707 1.00 0.00 O ATOM 0 H GLY A 33 2.397 11.230 2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.358 8.677 2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.159 9.620 0.989 1.00 0.00 H new ATOM 425 N ASP A 34 5.774 10.760 1.640 1.00 0.00 N ATOM 426 CA ASP A 34 7.253 10.832 1.453 1.00 0.00 C ATOM 427 C ASP A 34 7.957 9.963 2.500 1.00 0.00 C ATOM 428 O ASP A 34 9.089 9.556 2.326 1.00 0.00 O ATOM 429 CB ASP A 34 7.603 12.307 1.658 1.00 0.00 C ATOM 430 CG ASP A 34 9.107 12.509 1.464 1.00 0.00 C ATOM 431 OD1 ASP A 34 9.867 11.831 2.135 1.00 0.00 O ATOM 432 OD2 ASP A 34 9.473 13.341 0.650 1.00 0.00 O ATOM 0 H ASP A 34 5.296 11.661 1.671 1.00 0.00 H new ATOM 0 HA ASP A 34 7.567 10.470 0.474 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.049 12.924 0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.309 12.625 2.658 1.00 0.00 H new ATOM 437 N LYS A 35 7.292 9.680 3.586 1.00 0.00 N ATOM 438 CA LYS A 35 7.908 8.841 4.653 1.00 0.00 C ATOM 439 C LYS A 35 7.168 7.515 4.745 1.00 0.00 C ATOM 440 O LYS A 35 7.757 6.467 4.918 1.00 0.00 O ATOM 441 CB LYS A 35 7.734 9.649 5.936 1.00 0.00 C ATOM 442 CG LYS A 35 8.063 11.110 5.645 1.00 0.00 C ATOM 443 CD LYS A 35 7.826 11.953 6.896 1.00 0.00 C ATOM 444 CE LYS A 35 7.313 13.336 6.488 1.00 0.00 C ATOM 445 NZ LYS A 35 8.539 14.162 6.305 1.00 0.00 N ATOM 0 H LYS A 35 6.342 9.996 3.781 1.00 0.00 H new ATOM 0 HA LYS A 35 8.956 8.613 4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.712 9.558 6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.389 9.263 6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.101 11.202 5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.443 11.476 4.826 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.102 11.462 7.547 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.752 12.049 7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.730 13.285 5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.663 13.758 7.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.269 15.126 6.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.070 14.198 7.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.135 13.740 5.565 1.00 0.00 H new ATOM 459 N VAL A 36 5.875 7.558 4.620 1.00 0.00 N ATOM 460 CA VAL A 36 5.075 6.305 4.686 1.00 0.00 C ATOM 461 C VAL A 36 5.146 5.568 3.349 1.00 0.00 C ATOM 462 O VAL A 36 5.184 4.355 3.297 1.00 0.00 O ATOM 463 CB VAL A 36 3.646 6.760 4.943 1.00 0.00 C ATOM 464 CG1 VAL A 36 2.718 5.542 4.948 1.00 0.00 C ATOM 465 CG2 VAL A 36 3.577 7.477 6.291 1.00 0.00 C ATOM 0 H VAL A 36 5.334 8.410 4.474 1.00 0.00 H new ATOM 0 HA VAL A 36 5.440 5.627 5.458 1.00 0.00 H new ATOM 0 HB VAL A 36 3.330 7.446 4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.694 5.866 5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.772 5.040 3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.027 4.852 5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.554 7.804 6.477 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.890 6.795 7.082 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.238 8.344 6.276 1.00 0.00 H new ATOM 475 N LYS A 37 5.153 6.295 2.264 1.00 0.00 N ATOM 476 CA LYS A 37 5.207 5.635 0.928 1.00 0.00 C ATOM 477 C LYS A 37 6.327 4.591 0.888 1.00 0.00 C ATOM 478 O LYS A 37 6.093 3.460 0.512 1.00 0.00 O ATOM 479 CB LYS A 37 5.469 6.759 -0.075 1.00 0.00 C ATOM 480 CG LYS A 37 5.569 6.171 -1.484 1.00 0.00 C ATOM 481 CD LYS A 37 5.650 7.309 -2.501 1.00 0.00 C ATOM 482 CE LYS A 37 7.012 7.276 -3.196 1.00 0.00 C ATOM 483 NZ LYS A 37 7.382 8.707 -3.375 1.00 0.00 N ATOM 0 H LYS A 37 5.124 7.314 2.245 1.00 0.00 H new ATOM 0 HA LYS A 37 4.282 5.105 0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.665 7.494 -0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.392 7.280 0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.450 5.534 -1.563 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.702 5.544 -1.691 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.852 7.211 -3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.507 8.268 -2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.751 6.749 -2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.955 6.759 -4.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.307 8.770 -3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.663 9.181 -3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.435 9.171 -2.446 1.00 0.00 H new ATOM 497 N PRO A 38 7.508 4.985 1.292 1.00 0.00 N ATOM 498 CA PRO A 38 8.642 4.030 1.306 1.00 0.00 C ATOM 499 C PRO A 38 8.369 2.957 2.357 1.00 0.00 C ATOM 500 O PRO A 38 8.798 1.825 2.247 1.00 0.00 O ATOM 501 CB PRO A 38 9.838 4.896 1.694 1.00 0.00 C ATOM 502 CG PRO A 38 9.244 6.062 2.417 1.00 0.00 C ATOM 503 CD PRO A 38 7.911 6.317 1.774 1.00 0.00 C ATOM 0 HA PRO A 38 8.805 3.514 0.360 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.534 4.348 2.330 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.396 5.218 0.815 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.129 5.844 3.479 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.888 6.938 2.339 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.192 6.722 2.486 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.989 7.034 0.957 1.00 0.00 H new ATOM 511 N VAL A 39 7.645 3.322 3.372 1.00 0.00 N ATOM 512 CA VAL A 39 7.307 2.359 4.457 1.00 0.00 C ATOM 513 C VAL A 39 6.249 1.365 3.974 1.00 0.00 C ATOM 514 O VAL A 39 6.006 0.354 4.597 1.00 0.00 O ATOM 515 CB VAL A 39 6.759 3.241 5.583 1.00 0.00 C ATOM 516 CG1 VAL A 39 5.841 2.426 6.498 1.00 0.00 C ATOM 517 CG2 VAL A 39 7.919 3.812 6.401 1.00 0.00 C ATOM 0 H VAL A 39 7.266 4.260 3.500 1.00 0.00 H new ATOM 0 HA VAL A 39 8.162 1.764 4.778 1.00 0.00 H new ATOM 0 HB VAL A 39 6.186 4.057 5.142 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.459 3.066 7.294 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.007 2.031 5.918 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.403 1.600 6.935 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.526 4.439 7.201 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.498 2.995 6.831 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.561 4.410 5.754 1.00 0.00 H new ATOM 527 N LEU A 40 5.624 1.635 2.869 1.00 0.00 N ATOM 528 CA LEU A 40 4.608 0.682 2.354 1.00 0.00 C ATOM 529 C LEU A 40 5.255 -0.181 1.271 1.00 0.00 C ATOM 530 O LEU A 40 4.730 -1.199 0.871 1.00 0.00 O ATOM 531 CB LEU A 40 3.496 1.547 1.768 1.00 0.00 C ATOM 532 CG LEU A 40 2.832 2.353 2.883 1.00 0.00 C ATOM 533 CD1 LEU A 40 1.697 3.184 2.291 1.00 0.00 C ATOM 534 CD2 LEU A 40 2.263 1.406 3.944 1.00 0.00 C ATOM 0 H LEU A 40 5.770 2.470 2.301 1.00 0.00 H new ATOM 0 HA LEU A 40 4.217 0.017 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.904 2.219 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.757 0.919 1.270 1.00 0.00 H new ATOM 0 HG LEU A 40 3.572 3.007 3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.219 3.762 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.097 3.862 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.963 2.522 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.791 1.988 4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.523 0.749 3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.069 0.806 4.366 1.00 0.00 H new ATOM 546 N LEU A 41 6.405 0.228 0.804 1.00 0.00 N ATOM 547 CA LEU A 41 7.112 -0.549 -0.247 1.00 0.00 C ATOM 548 C LEU A 41 7.998 -1.607 0.393 1.00 0.00 C ATOM 549 O LEU A 41 8.064 -2.732 -0.061 1.00 0.00 O ATOM 550 CB LEU A 41 7.965 0.478 -0.975 1.00 0.00 C ATOM 551 CG LEU A 41 7.061 1.569 -1.529 1.00 0.00 C ATOM 552 CD1 LEU A 41 7.895 2.813 -1.817 1.00 0.00 C ATOM 553 CD2 LEU A 41 6.408 1.065 -2.814 1.00 0.00 C ATOM 0 H LEU A 41 6.886 1.074 1.110 1.00 0.00 H new ATOM 0 HA LEU A 41 6.424 -1.067 -0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.700 0.908 -0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.520 0.002 -1.784 1.00 0.00 H new ATOM 0 HG LEU A 41 6.286 1.821 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.252 3.598 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.363 3.159 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.667 2.572 -2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.757 1.840 -3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.181 0.821 -3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.819 0.174 -2.598 1.00 0.00 H new ATOM 565 N ASN A 42 8.678 -1.263 1.450 1.00 0.00 N ATOM 566 CA ASN A 42 9.547 -2.271 2.103 1.00 0.00 C ATOM 567 C ASN A 42 8.727 -3.534 2.400 1.00 0.00 C ATOM 568 O ASN A 42 9.263 -4.611 2.577 1.00 0.00 O ATOM 569 CB ASN A 42 10.026 -1.605 3.394 1.00 0.00 C ATOM 570 CG ASN A 42 8.907 -1.634 4.436 1.00 0.00 C ATOM 571 OD1 ASN A 42 9.118 -2.052 5.557 1.00 0.00 O ATOM 572 ND2 ASN A 42 7.718 -1.207 4.112 1.00 0.00 N ATOM 0 H ASN A 42 8.669 -0.340 1.883 1.00 0.00 H new ATOM 0 HA ASN A 42 10.388 -2.576 1.481 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.906 -2.123 3.777 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.324 -0.576 3.195 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.965 -1.224 4.800 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.541 -0.856 3.171 1.00 0.00 H new ATOM 579 N SER A 43 7.426 -3.403 2.445 1.00 0.00 N ATOM 580 CA SER A 43 6.555 -4.583 2.723 1.00 0.00 C ATOM 581 C SER A 43 6.683 -5.620 1.599 1.00 0.00 C ATOM 582 O SER A 43 6.189 -6.725 1.704 1.00 0.00 O ATOM 583 CB SER A 43 5.137 -4.014 2.761 1.00 0.00 C ATOM 584 OG SER A 43 5.189 -2.654 3.171 1.00 0.00 O ATOM 0 H SER A 43 6.928 -2.525 2.300 1.00 0.00 H new ATOM 0 HA SER A 43 6.826 -5.088 3.650 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.675 -4.092 1.777 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.520 -4.590 3.450 1.00 0.00 H new ATOM 0 HG SER A 43 5.437 -2.607 4.118 1.00 0.00 H new ATOM 590 N LYS A 44 7.336 -5.272 0.524 1.00 0.00 N ATOM 591 CA LYS A 44 7.489 -6.234 -0.610 1.00 0.00 C ATOM 592 C LYS A 44 6.138 -6.418 -1.320 1.00 0.00 C ATOM 593 O LYS A 44 5.989 -7.256 -2.187 1.00 0.00 O ATOM 594 CB LYS A 44 8.003 -7.538 0.036 1.00 0.00 C ATOM 595 CG LYS A 44 6.971 -8.670 -0.079 1.00 0.00 C ATOM 596 CD LYS A 44 7.517 -9.926 0.601 1.00 0.00 C ATOM 597 CE LYS A 44 7.764 -9.637 2.085 1.00 0.00 C ATOM 598 NZ LYS A 44 7.199 -10.810 2.805 1.00 0.00 N ATOM 0 H LYS A 44 7.772 -4.361 0.380 1.00 0.00 H new ATOM 0 HA LYS A 44 8.183 -5.890 -1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.932 -7.842 -0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.232 -7.359 1.086 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.032 -8.370 0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.755 -8.875 -1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.809 -10.748 0.492 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.444 -10.238 0.121 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.828 -9.521 2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.276 -8.712 2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.331 -10.685 3.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.184 -10.891 2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.687 -11.675 2.496 1.00 0.00 H new ATOM 612 N LEU A 45 5.161 -5.633 -0.959 1.00 0.00 N ATOM 613 CA LEU A 45 3.825 -5.748 -1.609 1.00 0.00 C ATOM 614 C LEU A 45 3.772 -4.866 -2.854 1.00 0.00 C ATOM 615 O LEU A 45 4.551 -3.944 -2.996 1.00 0.00 O ATOM 616 CB LEU A 45 2.835 -5.245 -0.560 1.00 0.00 C ATOM 617 CG LEU A 45 2.447 -6.401 0.358 1.00 0.00 C ATOM 618 CD1 LEU A 45 1.686 -5.856 1.567 1.00 0.00 C ATOM 619 CD2 LEU A 45 1.559 -7.382 -0.414 1.00 0.00 C ATOM 0 H LEU A 45 5.231 -4.914 -0.239 1.00 0.00 H new ATOM 0 HA LEU A 45 3.604 -6.767 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.281 -4.437 0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.948 -4.837 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 45 3.344 -6.917 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.408 -6.680 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.321 -5.157 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.786 -5.342 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.279 -8.210 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.660 -6.868 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.105 -7.767 -1.275 1.00 0.00 H new ATOM 631 N PRO A 46 2.849 -5.176 -3.716 1.00 0.00 N ATOM 632 CA PRO A 46 2.688 -4.395 -4.959 1.00 0.00 C ATOM 633 C PRO A 46 2.082 -3.020 -4.649 1.00 0.00 C ATOM 634 O PRO A 46 1.366 -2.848 -3.682 1.00 0.00 O ATOM 635 CB PRO A 46 1.747 -5.254 -5.801 1.00 0.00 C ATOM 636 CG PRO A 46 0.995 -6.096 -4.824 1.00 0.00 C ATOM 637 CD PRO A 46 1.881 -6.271 -3.615 1.00 0.00 C ATOM 0 HA PRO A 46 3.628 -4.192 -5.472 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.069 -4.634 -6.388 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.304 -5.872 -6.505 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.055 -5.618 -4.547 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.744 -7.063 -5.261 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.308 -6.212 -2.690 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.376 -7.242 -3.622 1.00 0.00 H new ATOM 645 N VAL A 47 2.377 -2.037 -5.458 1.00 0.00 N ATOM 646 CA VAL A 47 1.838 -0.665 -5.217 1.00 0.00 C ATOM 647 C VAL A 47 0.311 -0.689 -5.094 1.00 0.00 C ATOM 648 O VAL A 47 -0.294 0.262 -4.638 1.00 0.00 O ATOM 649 CB VAL A 47 2.275 0.147 -6.441 1.00 0.00 C ATOM 650 CG1 VAL A 47 1.367 1.369 -6.609 1.00 0.00 C ATOM 651 CG2 VAL A 47 3.719 0.614 -6.251 1.00 0.00 C ATOM 0 H VAL A 47 2.972 -2.126 -6.281 1.00 0.00 H new ATOM 0 HA VAL A 47 2.209 -0.237 -4.286 1.00 0.00 H new ATOM 0 HB VAL A 47 2.203 -0.480 -7.330 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.684 1.941 -7.481 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.337 1.041 -6.746 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.433 1.996 -5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.032 1.192 -7.121 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.786 1.236 -5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.370 -0.253 -6.138 1.00 0.00 H new ATOM 661 N ASP A 48 -0.323 -1.762 -5.478 1.00 0.00 N ATOM 662 CA ASP A 48 -1.799 -1.821 -5.357 1.00 0.00 C ATOM 663 C ASP A 48 -2.154 -1.907 -3.887 1.00 0.00 C ATOM 664 O ASP A 48 -3.085 -1.282 -3.415 1.00 0.00 O ATOM 665 CB ASP A 48 -2.208 -3.090 -6.081 1.00 0.00 C ATOM 666 CG ASP A 48 -2.911 -2.732 -7.392 1.00 0.00 C ATOM 667 OD1 ASP A 48 -2.223 -2.578 -8.389 1.00 0.00 O ATOM 668 OD2 ASP A 48 -4.125 -2.616 -7.378 1.00 0.00 O ATOM 0 H ASP A 48 0.118 -2.595 -5.868 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.301 -0.950 -5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.330 -3.704 -6.284 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.872 -3.682 -5.451 1.00 0.00 H new ATOM 673 N ILE A 49 -1.395 -2.664 -3.150 1.00 0.00 N ATOM 674 CA ILE A 49 -1.662 -2.772 -1.700 1.00 0.00 C ATOM 675 C ILE A 49 -1.377 -1.422 -1.068 1.00 0.00 C ATOM 676 O ILE A 49 -2.151 -0.892 -0.295 1.00 0.00 O ATOM 677 CB ILE A 49 -0.676 -3.808 -1.165 1.00 0.00 C ATOM 678 CG1 ILE A 49 -0.607 -5.017 -2.101 1.00 0.00 C ATOM 679 CG2 ILE A 49 -1.122 -4.255 0.223 1.00 0.00 C ATOM 680 CD1 ILE A 49 -2.007 -5.405 -2.576 1.00 0.00 C ATOM 0 H ILE A 49 -0.604 -3.210 -3.491 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.691 -3.060 -1.483 1.00 0.00 H new ATOM 0 HB ILE A 49 0.315 -3.359 -1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.024 -4.785 -2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.145 -5.859 -1.585 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.421 -4.995 0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.147 -3.395 0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.117 -4.695 0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.940 -6.266 -3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.626 -5.658 -1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.455 -4.568 -3.111 1.00 0.00 H new ATOM 692 N LEU A 50 -0.255 -0.865 -1.415 1.00 0.00 N ATOM 693 CA LEU A 50 0.128 0.461 -0.870 1.00 0.00 C ATOM 694 C LEU A 50 -0.889 1.503 -1.336 1.00 0.00 C ATOM 695 O LEU A 50 -1.040 2.550 -0.740 1.00 0.00 O ATOM 696 CB LEU A 50 1.514 0.758 -1.454 1.00 0.00 C ATOM 697 CG LEU A 50 2.400 -0.499 -1.432 1.00 0.00 C ATOM 698 CD1 LEU A 50 3.865 -0.079 -1.558 1.00 0.00 C ATOM 699 CD2 LEU A 50 2.207 -1.278 -0.120 1.00 0.00 C ATOM 0 H LEU A 50 0.420 -1.277 -2.060 1.00 0.00 H new ATOM 0 HA LEU A 50 0.148 0.480 0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.412 1.118 -2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.991 1.554 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 50 2.118 -1.143 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.500 -0.965 -1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.011 0.456 -2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.130 0.571 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.843 -2.163 -0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.477 -0.643 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.164 -1.581 -0.027 1.00 0.00 H new ATOM 711 N GLY A 51 -1.601 1.215 -2.396 1.00 0.00 N ATOM 712 CA GLY A 51 -2.618 2.185 -2.887 1.00 0.00 C ATOM 713 C GLY A 51 -3.931 1.926 -2.152 1.00 0.00 C ATOM 714 O GLY A 51 -4.733 2.818 -1.944 1.00 0.00 O ATOM 0 H GLY A 51 -1.521 0.355 -2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.282 3.207 -2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.758 2.075 -3.962 1.00 0.00 H new ATOM 718 N ARG A 52 -4.146 0.707 -1.740 1.00 0.00 N ATOM 719 CA ARG A 52 -5.389 0.371 -1.003 1.00 0.00 C ATOM 720 C ARG A 52 -5.124 0.456 0.495 1.00 0.00 C ATOM 721 O ARG A 52 -5.787 1.177 1.216 1.00 0.00 O ATOM 722 CB ARG A 52 -5.709 -1.067 -1.410 1.00 0.00 C ATOM 723 CG ARG A 52 -7.141 -1.144 -1.941 1.00 0.00 C ATOM 724 CD ARG A 52 -7.511 -2.607 -2.189 1.00 0.00 C ATOM 725 NE ARG A 52 -7.611 -2.735 -3.670 1.00 0.00 N ATOM 726 CZ ARG A 52 -7.419 -3.894 -4.239 1.00 0.00 C ATOM 727 NH1 ARG A 52 -8.255 -4.873 -4.027 1.00 0.00 N ATOM 728 NH2 ARG A 52 -6.390 -4.075 -5.020 1.00 0.00 N ATOM 0 H ARG A 52 -3.507 -0.074 -1.885 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.213 1.048 -1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.009 -1.404 -2.174 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.591 -1.732 -0.555 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.831 -0.699 -1.224 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.229 -0.573 -2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.754 -3.279 -1.785 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.454 -2.863 -1.706 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.829 -1.917 -4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.060 -4.733 -3.416 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.104 -5.778 -4.472 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.735 -3.311 -5.186 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.240 -4.981 -5.464 1.00 0.00 H new ATOM 742 N VAL A 53 -4.147 -0.265 0.968 1.00 0.00 N ATOM 743 CA VAL A 53 -3.832 -0.213 2.417 1.00 0.00 C ATOM 744 C VAL A 53 -3.768 1.245 2.866 1.00 0.00 C ATOM 745 O VAL A 53 -4.303 1.612 3.893 1.00 0.00 O ATOM 746 CB VAL A 53 -2.466 -0.885 2.556 1.00 0.00 C ATOM 747 CG1 VAL A 53 -1.930 -0.661 3.969 1.00 0.00 C ATOM 748 CG2 VAL A 53 -2.611 -2.387 2.297 1.00 0.00 C ATOM 0 H VAL A 53 -3.556 -0.885 0.414 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.582 -0.711 3.031 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.773 -0.456 1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.956 -1.140 4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.829 0.408 4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.622 -1.091 4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.638 -2.869 2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.303 -2.816 3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.995 -2.547 1.289 1.00 0.00 H new ATOM 758 N TRP A 54 -3.127 2.083 2.092 1.00 0.00 N ATOM 759 CA TRP A 54 -3.037 3.523 2.462 1.00 0.00 C ATOM 760 C TRP A 54 -4.427 4.153 2.449 1.00 0.00 C ATOM 761 O TRP A 54 -4.880 4.700 3.433 1.00 0.00 O ATOM 762 CB TRP A 54 -2.161 4.172 1.392 1.00 0.00 C ATOM 763 CG TRP A 54 -2.300 5.657 1.485 1.00 0.00 C ATOM 764 CD1 TRP A 54 -3.372 6.367 1.061 1.00 0.00 C ATOM 765 CD2 TRP A 54 -1.364 6.622 2.044 1.00 0.00 C ATOM 766 NE1 TRP A 54 -3.147 7.710 1.316 1.00 0.00 N ATOM 767 CE2 TRP A 54 -1.922 7.916 1.920 1.00 0.00 C ATOM 768 CE3 TRP A 54 -0.096 6.500 2.636 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -1.246 9.051 2.368 1.00 0.00 C ATOM 770 CZ3 TRP A 54 0.590 7.639 3.091 1.00 0.00 C ATOM 771 CH2 TRP A 54 0.016 8.913 2.955 1.00 0.00 C ATOM 0 H TRP A 54 -2.663 1.830 1.220 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.622 3.658 3.461 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.120 3.882 1.531 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.458 3.827 0.402 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.257 5.954 0.600 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.805 8.455 1.086 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.355 5.524 2.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.693 10.028 2.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.563 7.534 3.547 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.548 9.786 3.303 1.00 0.00 H new ATOM 782 N GLU A 55 -5.106 4.086 1.339 1.00 0.00 N ATOM 783 CA GLU A 55 -6.466 4.691 1.270 1.00 0.00 C ATOM 784 C GLU A 55 -7.286 4.260 2.493 1.00 0.00 C ATOM 785 O GLU A 55 -7.853 5.077 3.193 1.00 0.00 O ATOM 786 CB GLU A 55 -7.061 4.190 -0.057 1.00 0.00 C ATOM 787 CG GLU A 55 -8.034 3.036 0.178 1.00 0.00 C ATOM 788 CD GLU A 55 -8.823 2.764 -1.105 1.00 0.00 C ATOM 789 OE1 GLU A 55 -8.279 2.996 -2.171 1.00 0.00 O ATOM 790 OE2 GLU A 55 -9.960 2.330 -0.999 1.00 0.00 O ATOM 0 H GLU A 55 -4.781 3.641 0.480 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.457 5.781 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.577 5.008 -0.560 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.259 3.864 -0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.488 2.142 0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.716 3.282 0.992 1.00 0.00 H new ATOM 797 N LEU A 56 -7.334 2.987 2.764 1.00 0.00 N ATOM 798 CA LEU A 56 -8.097 2.505 3.953 1.00 0.00 C ATOM 799 C LEU A 56 -7.356 2.913 5.234 1.00 0.00 C ATOM 800 O LEU A 56 -7.864 2.786 6.330 1.00 0.00 O ATOM 801 CB LEU A 56 -8.139 0.983 3.815 1.00 0.00 C ATOM 802 CG LEU A 56 -8.832 0.600 2.504 1.00 0.00 C ATOM 803 CD1 LEU A 56 -8.074 -0.560 1.855 1.00 0.00 C ATOM 804 CD2 LEU A 56 -10.278 0.172 2.793 1.00 0.00 C ATOM 0 H LEU A 56 -6.879 2.258 2.215 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.100 2.927 4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.127 0.579 3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.672 0.547 4.660 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.839 1.456 1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.563 -0.837 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.048 -0.255 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.071 -1.416 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.770 -0.100 1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.276 -0.686 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.816 0.998 3.259 1.00 0.00 H new ATOM 816 N SER A 57 -6.150 3.403 5.089 1.00 0.00 N ATOM 817 CA SER A 57 -5.346 3.830 6.273 1.00 0.00 C ATOM 818 C SER A 57 -5.409 5.352 6.436 1.00 0.00 C ATOM 819 O SER A 57 -5.441 5.871 7.534 1.00 0.00 O ATOM 820 CB SER A 57 -3.921 3.397 5.946 1.00 0.00 C ATOM 821 OG SER A 57 -3.007 4.327 6.506 1.00 0.00 O ATOM 0 H SER A 57 -5.684 3.526 4.190 1.00 0.00 H new ATOM 0 HA SER A 57 -5.712 3.393 7.202 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.732 2.400 6.343 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.785 3.341 4.866 1.00 0.00 H new ATOM 0 HG SER A 57 -2.929 4.169 7.470 1.00 0.00 H new ATOM 827 N ASP A 58 -5.431 6.066 5.345 1.00 0.00 N ATOM 828 CA ASP A 58 -5.494 7.551 5.417 1.00 0.00 C ATOM 829 C ASP A 58 -6.921 7.979 5.710 1.00 0.00 C ATOM 830 O ASP A 58 -7.698 8.263 4.820 1.00 0.00 O ATOM 831 CB ASP A 58 -5.053 8.039 4.036 1.00 0.00 C ATOM 832 CG ASP A 58 -4.469 9.448 4.156 1.00 0.00 C ATOM 833 OD1 ASP A 58 -4.948 10.196 4.993 1.00 0.00 O ATOM 834 OD2 ASP A 58 -3.557 9.755 3.408 1.00 0.00 O ATOM 0 H ASP A 58 -5.408 5.681 4.401 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.862 7.963 6.204 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.310 7.360 3.619 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.901 8.042 3.352 1.00 0.00 H new ATOM 839 N ILE A 59 -7.277 8.008 6.957 1.00 0.00 N ATOM 840 CA ILE A 59 -8.659 8.394 7.321 1.00 0.00 C ATOM 841 C ILE A 59 -9.035 9.728 6.678 1.00 0.00 C ATOM 842 O ILE A 59 -10.185 9.975 6.371 1.00 0.00 O ATOM 843 CB ILE A 59 -8.643 8.527 8.840 1.00 0.00 C ATOM 844 CG1 ILE A 59 -8.311 7.173 9.477 1.00 0.00 C ATOM 845 CG2 ILE A 59 -10.015 8.995 9.319 1.00 0.00 C ATOM 846 CD1 ILE A 59 -9.467 6.200 9.248 1.00 0.00 C ATOM 0 H ILE A 59 -6.668 7.780 7.743 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.389 7.662 6.976 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.885 9.254 9.132 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.394 6.772 9.045 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.133 7.296 10.545 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.008 9.091 10.405 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.247 9.961 8.870 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -10.771 8.267 9.024 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.228 5.238 9.702 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.374 6.600 9.701 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.624 6.067 8.178 1.00 0.00 H new ATOM 858 N ASP A 60 -8.084 10.599 6.481 1.00 0.00 N ATOM 859 CA ASP A 60 -8.421 11.921 5.867 1.00 0.00 C ATOM 860 C ASP A 60 -8.091 11.932 4.374 1.00 0.00 C ATOM 861 O ASP A 60 -8.564 12.775 3.637 1.00 0.00 O ATOM 862 CB ASP A 60 -7.563 12.948 6.607 1.00 0.00 C ATOM 863 CG ASP A 60 -7.717 12.754 8.115 1.00 0.00 C ATOM 864 OD1 ASP A 60 -7.528 11.640 8.570 1.00 0.00 O ATOM 865 OD2 ASP A 60 -8.021 13.723 8.791 1.00 0.00 O ATOM 0 H ASP A 60 -7.101 10.459 6.714 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.485 12.139 5.954 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.517 12.837 6.321 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.864 13.958 6.327 1.00 0.00 H new ATOM 870 N HIS A 61 -7.276 11.024 3.918 1.00 0.00 N ATOM 871 CA HIS A 61 -6.924 11.019 2.472 1.00 0.00 C ATOM 872 C HIS A 61 -6.331 12.376 2.103 1.00 0.00 C ATOM 873 O HIS A 61 -6.490 12.864 1.002 1.00 0.00 O ATOM 874 CB HIS A 61 -8.245 10.793 1.740 1.00 0.00 C ATOM 875 CG HIS A 61 -8.485 9.320 1.566 1.00 0.00 C ATOM 876 ND1 HIS A 61 -8.222 8.664 0.373 1.00 0.00 N ATOM 877 CD2 HIS A 61 -8.971 8.361 2.421 1.00 0.00 C ATOM 878 CE1 HIS A 61 -8.547 7.369 0.542 1.00 0.00 C ATOM 879 NE2 HIS A 61 -9.010 7.129 1.772 1.00 0.00 N ATOM 0 H HIS A 61 -6.841 10.291 4.478 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.191 10.254 2.215 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.064 11.240 2.303 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.221 11.284 0.767 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -9.277 8.536 3.442 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -8.446 6.615 -0.224 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -9.324 6.237 2.153 1.00 0.00 H new ATOM 887 N ASP A 62 -5.658 12.994 3.035 1.00 0.00 N ATOM 888 CA ASP A 62 -5.059 14.331 2.773 1.00 0.00 C ATOM 889 C ASP A 62 -3.628 14.185 2.248 1.00 0.00 C ATOM 890 O ASP A 62 -3.016 15.143 1.817 1.00 0.00 O ATOM 891 CB ASP A 62 -5.065 15.017 4.138 1.00 0.00 C ATOM 892 CG ASP A 62 -3.981 14.399 5.024 1.00 0.00 C ATOM 893 OD1 ASP A 62 -4.011 13.193 5.210 1.00 0.00 O ATOM 894 OD2 ASP A 62 -3.137 15.142 5.500 1.00 0.00 O ATOM 0 H ASP A 62 -5.497 12.626 3.973 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.607 14.896 2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.888 16.086 4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.042 14.906 4.609 1.00 0.00 H new ATOM 899 N GLY A 63 -3.088 12.999 2.283 1.00 0.00 N ATOM 900 CA GLY A 63 -1.697 12.800 1.786 1.00 0.00 C ATOM 901 C GLY A 63 -0.785 12.428 2.954 1.00 0.00 C ATOM 902 O GLY A 63 0.422 12.383 2.822 1.00 0.00 O ATOM 0 H GLY A 63 -3.549 12.159 2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.678 12.013 1.032 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.338 13.710 1.306 1.00 0.00 H new ATOM 906 N MET A 64 -1.351 12.150 4.096 1.00 0.00 N ATOM 907 CA MET A 64 -0.507 11.770 5.264 1.00 0.00 C ATOM 908 C MET A 64 -1.259 10.802 6.185 1.00 0.00 C ATOM 909 O MET A 64 -2.475 10.737 6.184 1.00 0.00 O ATOM 910 CB MET A 64 -0.195 13.067 6.024 1.00 0.00 C ATOM 911 CG MET A 64 -0.098 14.252 5.062 1.00 0.00 C ATOM 912 SD MET A 64 0.559 15.690 5.946 1.00 0.00 S ATOM 913 CE MET A 64 2.295 15.177 5.965 1.00 0.00 C ATOM 0 H MET A 64 -2.356 12.169 4.271 1.00 0.00 H new ATOM 0 HA MET A 64 0.403 11.271 4.931 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.973 13.256 6.764 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.743 12.958 6.569 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.549 14.001 4.222 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.081 14.482 4.650 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.742 15.440 6.924 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.357 14.099 5.819 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.833 15.684 5.164 1.00 0.00 H new ATOM 923 N LEU A 65 -0.534 10.057 6.977 1.00 0.00 N ATOM 924 CA LEU A 65 -1.181 9.091 7.912 1.00 0.00 C ATOM 925 C LEU A 65 -0.888 9.484 9.363 1.00 0.00 C ATOM 926 O LEU A 65 0.249 9.483 9.795 1.00 0.00 O ATOM 927 CB LEU A 65 -0.513 7.749 7.612 1.00 0.00 C ATOM 928 CG LEU A 65 -1.039 7.175 6.303 1.00 0.00 C ATOM 929 CD1 LEU A 65 -0.349 5.837 6.028 1.00 0.00 C ATOM 930 CD2 LEU A 65 -2.548 6.964 6.424 1.00 0.00 C ATOM 0 H LEU A 65 0.485 10.077 7.016 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.263 9.064 7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.568 7.879 7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.705 7.050 8.426 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.832 7.862 5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.722 5.421 5.092 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.727 5.991 5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.561 5.144 6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.934 6.553 5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.754 6.270 7.239 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.034 7.918 6.628 1.00 0.00 H new ATOM 942 N ASP A 66 -1.895 9.807 10.122 1.00 0.00 N ATOM 943 CA ASP A 66 -1.659 10.182 11.546 1.00 0.00 C ATOM 944 C ASP A 66 -1.413 8.927 12.384 1.00 0.00 C ATOM 945 O ASP A 66 -1.544 7.812 11.918 1.00 0.00 O ATOM 946 CB ASP A 66 -2.942 10.885 11.994 1.00 0.00 C ATOM 947 CG ASP A 66 -3.023 10.914 13.520 1.00 0.00 C ATOM 948 OD1 ASP A 66 -2.133 11.481 14.132 1.00 0.00 O ATOM 949 OD2 ASP A 66 -3.972 10.362 14.052 1.00 0.00 O ATOM 0 H ASP A 66 -2.869 9.828 9.821 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.785 10.823 11.665 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.964 11.902 11.602 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.810 10.367 11.586 1.00 0.00 H new ATOM 954 N ARG A 67 -1.050 9.109 13.618 1.00 0.00 N ATOM 955 CA ARG A 67 -0.781 7.940 14.508 1.00 0.00 C ATOM 956 C ARG A 67 -1.908 6.904 14.425 1.00 0.00 C ATOM 957 O ARG A 67 -1.665 5.714 14.371 1.00 0.00 O ATOM 958 CB ARG A 67 -0.705 8.530 15.915 1.00 0.00 C ATOM 959 CG ARG A 67 -2.033 9.203 16.258 1.00 0.00 C ATOM 960 CD ARG A 67 -1.801 10.279 17.321 1.00 0.00 C ATOM 961 NE ARG A 67 -1.728 9.538 18.609 1.00 0.00 N ATOM 962 CZ ARG A 67 -2.731 9.579 19.444 1.00 0.00 C ATOM 963 NH1 ARG A 67 -3.943 9.752 18.998 1.00 0.00 N ATOM 964 NH2 ARG A 67 -2.519 9.448 20.725 1.00 0.00 N ATOM 0 H ARG A 67 -0.926 10.022 14.056 1.00 0.00 H new ATOM 0 HA ARG A 67 0.133 7.419 14.222 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.485 7.745 16.639 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.108 9.254 15.974 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.469 9.648 15.364 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.744 8.463 16.624 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.880 10.830 17.130 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.612 11.007 17.330 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.894 8.998 18.840 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.108 9.855 17.997 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.727 9.784 19.650 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.570 9.314 21.074 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.302 9.480 21.377 1.00 0.00 H new ATOM 978 N ASP A 68 -3.136 7.342 14.427 1.00 0.00 N ATOM 979 CA ASP A 68 -4.274 6.376 14.363 1.00 0.00 C ATOM 980 C ASP A 68 -4.507 5.914 12.923 1.00 0.00 C ATOM 981 O ASP A 68 -4.876 4.783 12.675 1.00 0.00 O ATOM 982 CB ASP A 68 -5.485 7.153 14.884 1.00 0.00 C ATOM 983 CG ASP A 68 -5.845 6.656 16.285 1.00 0.00 C ATOM 984 OD1 ASP A 68 -6.559 5.671 16.378 1.00 0.00 O ATOM 985 OD2 ASP A 68 -5.403 7.269 17.242 1.00 0.00 O ATOM 0 H ASP A 68 -3.403 8.325 14.470 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.082 5.478 14.951 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.262 8.220 14.911 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.332 7.021 14.211 1.00 0.00 H new ATOM 990 N GLU A 69 -4.277 6.772 11.972 1.00 0.00 N ATOM 991 CA GLU A 69 -4.470 6.367 10.551 1.00 0.00 C ATOM 992 C GLU A 69 -3.329 5.449 10.150 1.00 0.00 C ATOM 993 O GLU A 69 -3.531 4.371 9.628 1.00 0.00 O ATOM 994 CB GLU A 69 -4.416 7.660 9.744 1.00 0.00 C ATOM 995 CG GLU A 69 -5.383 8.680 10.341 1.00 0.00 C ATOM 996 CD GLU A 69 -5.083 10.054 9.749 1.00 0.00 C ATOM 997 OE1 GLU A 69 -4.064 10.176 9.090 1.00 0.00 O ATOM 998 OE2 GLU A 69 -5.860 10.964 9.978 1.00 0.00 O ATOM 0 H GLU A 69 -3.965 7.733 12.114 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.409 5.839 10.387 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.402 8.060 9.748 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.677 7.462 8.704 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.412 8.394 10.126 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.280 8.707 11.426 1.00 0.00 H new ATOM 1005 N PHE A 70 -2.125 5.864 10.413 1.00 0.00 N ATOM 1006 CA PHE A 70 -0.968 5.007 10.072 1.00 0.00 C ATOM 1007 C PHE A 70 -1.197 3.621 10.666 1.00 0.00 C ATOM 1008 O PHE A 70 -0.812 2.620 10.101 1.00 0.00 O ATOM 1009 CB PHE A 70 0.238 5.685 10.724 1.00 0.00 C ATOM 1010 CG PHE A 70 1.502 5.025 10.235 1.00 0.00 C ATOM 1011 CD1 PHE A 70 2.048 5.393 9.002 1.00 0.00 C ATOM 1012 CD2 PHE A 70 2.125 4.042 11.013 1.00 0.00 C ATOM 1013 CE1 PHE A 70 3.217 4.778 8.543 1.00 0.00 C ATOM 1014 CE2 PHE A 70 3.296 3.428 10.555 1.00 0.00 C ATOM 1015 CZ PHE A 70 3.841 3.795 9.320 1.00 0.00 C ATOM 0 H PHE A 70 -1.895 6.757 10.848 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.821 4.890 8.998 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.250 6.747 10.479 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.170 5.609 11.809 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.567 6.153 8.404 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.702 3.758 11.965 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.638 5.061 7.590 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.779 2.671 11.155 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.744 3.320 8.966 1.00 0.00 H new ATOM 1025 N ALA A 71 -1.845 3.563 11.797 1.00 0.00 N ATOM 1026 CA ALA A 71 -2.119 2.244 12.435 1.00 0.00 C ATOM 1027 C ALA A 71 -2.878 1.344 11.465 1.00 0.00 C ATOM 1028 O ALA A 71 -2.480 0.229 11.187 1.00 0.00 O ATOM 1029 CB ALA A 71 -2.989 2.566 13.649 1.00 0.00 C ATOM 0 H ALA A 71 -2.197 4.373 12.308 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.205 1.720 12.714 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.235 1.644 14.175 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.446 3.232 14.319 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.907 3.052 13.320 1.00 0.00 H new ATOM 1035 N VAL A 72 -3.971 1.823 10.952 1.00 0.00 N ATOM 1036 CA VAL A 72 -4.771 1.001 10.001 1.00 0.00 C ATOM 1037 C VAL A 72 -3.899 0.545 8.828 1.00 0.00 C ATOM 1038 O VAL A 72 -4.170 -0.454 8.188 1.00 0.00 O ATOM 1039 CB VAL A 72 -5.880 1.938 9.515 1.00 0.00 C ATOM 1040 CG1 VAL A 72 -6.672 1.272 8.388 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -6.824 2.250 10.676 1.00 0.00 C ATOM 0 H VAL A 72 -4.349 2.750 11.149 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.169 0.099 10.465 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.431 2.859 9.143 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.459 1.946 8.049 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.003 1.047 7.557 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.119 0.348 8.754 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.615 2.917 10.333 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.265 1.324 11.045 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.266 2.732 11.479 1.00 0.00 H new ATOM 1051 N ALA A 73 -2.857 1.273 8.534 1.00 0.00 N ATOM 1052 CA ALA A 73 -1.981 0.887 7.393 1.00 0.00 C ATOM 1053 C ALA A 73 -0.863 -0.061 7.842 1.00 0.00 C ATOM 1054 O ALA A 73 -0.110 -0.557 7.033 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.392 2.201 6.890 1.00 0.00 C ATOM 0 H ALA A 73 -2.575 2.116 9.033 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.539 0.356 6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.732 2.004 6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.198 2.863 6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.825 2.676 7.691 1.00 0.00 H new ATOM 1061 N MET A 74 -0.735 -0.323 9.114 1.00 0.00 N ATOM 1062 CA MET A 74 0.356 -1.249 9.552 1.00 0.00 C ATOM 1063 C MET A 74 -0.153 -2.687 9.587 1.00 0.00 C ATOM 1064 O MET A 74 0.566 -3.613 9.269 1.00 0.00 O ATOM 1065 CB MET A 74 0.781 -0.781 10.951 1.00 0.00 C ATOM 1066 CG MET A 74 1.043 0.740 10.988 1.00 0.00 C ATOM 1067 SD MET A 74 1.507 1.384 9.351 1.00 0.00 S ATOM 1068 CE MET A 74 2.941 0.318 9.074 1.00 0.00 C ATOM 0 H MET A 74 -1.323 0.053 9.858 1.00 0.00 H new ATOM 0 HA MET A 74 1.200 -1.229 8.863 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.003 -1.034 11.672 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.682 -1.313 11.255 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.149 1.255 11.341 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.838 0.955 11.702 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.808 0.931 8.826 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.148 -0.255 9.978 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.733 -0.365 8.251 1.00 0.00 H new ATOM 1078 N PHE A 75 -1.388 -2.887 9.950 1.00 0.00 N ATOM 1079 CA PHE A 75 -1.927 -4.274 9.973 1.00 0.00 C ATOM 1080 C PHE A 75 -2.375 -4.647 8.558 1.00 0.00 C ATOM 1081 O PHE A 75 -2.416 -5.803 8.185 1.00 0.00 O ATOM 1082 CB PHE A 75 -3.101 -4.246 10.961 1.00 0.00 C ATOM 1083 CG PHE A 75 -4.368 -3.821 10.259 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -5.086 -4.744 9.490 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -4.820 -2.504 10.375 1.00 0.00 C ATOM 1086 CE1 PHE A 75 -6.260 -4.349 8.839 1.00 0.00 C ATOM 1087 CE2 PHE A 75 -5.991 -2.108 9.725 1.00 0.00 C ATOM 1088 CZ PHE A 75 -6.712 -3.030 8.955 1.00 0.00 C ATOM 0 H PHE A 75 -2.043 -2.157 10.230 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.194 -5.018 10.285 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.236 -5.233 11.403 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.881 -3.558 11.777 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.734 -5.761 9.399 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.264 -1.792 10.967 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.816 -5.061 8.248 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.341 -1.090 9.816 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.616 -2.723 8.451 1.00 0.00 H new ATOM 1098 N LEU A 76 -2.687 -3.658 7.762 1.00 0.00 N ATOM 1099 CA LEU A 76 -3.107 -3.925 6.360 1.00 0.00 C ATOM 1100 C LEU A 76 -1.874 -4.238 5.514 1.00 0.00 C ATOM 1101 O LEU A 76 -1.955 -4.899 4.498 1.00 0.00 O ATOM 1102 CB LEU A 76 -3.774 -2.631 5.900 1.00 0.00 C ATOM 1103 CG LEU A 76 -5.288 -2.813 5.937 1.00 0.00 C ATOM 1104 CD1 LEU A 76 -5.970 -1.454 5.794 1.00 0.00 C ATOM 1105 CD2 LEU A 76 -5.712 -3.721 4.783 1.00 0.00 C ATOM 0 H LEU A 76 -2.668 -2.673 8.027 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.782 -4.776 6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.478 -1.805 6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.450 -2.378 4.891 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.580 -3.264 6.885 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.052 -1.585 5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.663 -0.805 6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.683 -1.001 4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.794 -3.855 4.804 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.421 -3.266 3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.224 -4.690 4.885 1.00 0.00 H new ATOM 1117 N VAL A 77 -0.729 -3.780 5.940 1.00 0.00 N ATOM 1118 CA VAL A 77 0.519 -4.061 5.180 1.00 0.00 C ATOM 1119 C VAL A 77 1.134 -5.361 5.691 1.00 0.00 C ATOM 1120 O VAL A 77 1.738 -6.109 4.948 1.00 0.00 O ATOM 1121 CB VAL A 77 1.435 -2.865 5.467 1.00 0.00 C ATOM 1122 CG1 VAL A 77 2.858 -3.161 4.980 1.00 0.00 C ATOM 1123 CG2 VAL A 77 0.900 -1.637 4.731 1.00 0.00 C ATOM 0 H VAL A 77 -0.605 -3.222 6.785 1.00 0.00 H new ATOM 0 HA VAL A 77 0.352 -4.182 4.110 1.00 0.00 H new ATOM 0 HB VAL A 77 1.456 -2.680 6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.500 -2.305 5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.244 -4.039 5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.843 -3.350 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.547 -0.783 4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.881 -1.835 3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.110 -1.416 5.077 1.00 0.00 H new ATOM 1133 N TYR A 78 0.968 -5.644 6.953 1.00 0.00 N ATOM 1134 CA TYR A 78 1.527 -6.905 7.511 1.00 0.00 C ATOM 1135 C TYR A 78 0.569 -8.064 7.232 1.00 0.00 C ATOM 1136 O TYR A 78 0.968 -9.208 7.156 1.00 0.00 O ATOM 1137 CB TYR A 78 1.655 -6.654 9.013 1.00 0.00 C ATOM 1138 CG TYR A 78 3.096 -6.356 9.334 1.00 0.00 C ATOM 1139 CD1 TYR A 78 4.086 -7.290 9.008 1.00 0.00 C ATOM 1140 CD2 TYR A 78 3.445 -5.148 9.950 1.00 0.00 C ATOM 1141 CE1 TYR A 78 5.428 -7.016 9.299 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.786 -4.874 10.240 1.00 0.00 C ATOM 1143 CZ TYR A 78 5.779 -5.808 9.916 1.00 0.00 C ATOM 1144 OH TYR A 78 7.102 -5.538 10.201 1.00 0.00 O ATOM 0 H TYR A 78 0.469 -5.056 7.621 1.00 0.00 H new ATOM 0 HA TYR A 78 2.486 -7.170 7.067 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.021 -5.819 9.311 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.316 -7.527 9.572 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.815 -8.221 8.532 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.680 -4.428 10.201 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.193 -7.736 9.048 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.056 -3.942 10.714 1.00 0.00 H new ATOM 0 HH TYR A 78 7.172 -4.658 10.627 1.00 0.00 H new ATOM 1154 N CYS A 79 -0.692 -7.772 7.069 1.00 0.00 N ATOM 1155 CA CYS A 79 -1.673 -8.854 6.782 1.00 0.00 C ATOM 1156 C CYS A 79 -1.720 -9.122 5.277 1.00 0.00 C ATOM 1157 O CYS A 79 -2.261 -10.114 4.830 1.00 0.00 O ATOM 1158 CB CYS A 79 -3.019 -8.316 7.274 1.00 0.00 C ATOM 1159 SG CYS A 79 -3.053 -8.327 9.083 1.00 0.00 S ATOM 0 H CYS A 79 -1.084 -6.832 7.122 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.412 -9.793 7.270 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.174 -7.303 6.904 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.832 -8.927 6.881 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.766 -7.140 9.530 1.00 0.00 H new ATOM 1165 N ALA A 80 -1.139 -8.262 4.487 1.00 0.00 N ATOM 1166 CA ALA A 80 -1.146 -8.499 3.018 1.00 0.00 C ATOM 1167 C ALA A 80 -0.043 -9.496 2.685 1.00 0.00 C ATOM 1168 O ALA A 80 -0.034 -10.118 1.640 1.00 0.00 O ATOM 1169 CB ALA A 80 -0.850 -7.138 2.387 1.00 0.00 C ATOM 0 H ALA A 80 -0.664 -7.413 4.792 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.090 -8.903 2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.839 -7.235 1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.621 -6.426 2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.122 -6.782 2.729 1.00 0.00 H new ATOM 1175 N LEU A 81 0.890 -9.638 3.579 1.00 0.00 N ATOM 1176 CA LEU A 81 2.016 -10.576 3.358 1.00 0.00 C ATOM 1177 C LEU A 81 1.684 -11.952 3.935 1.00 0.00 C ATOM 1178 O LEU A 81 2.008 -12.971 3.357 1.00 0.00 O ATOM 1179 CB LEU A 81 3.193 -9.960 4.121 1.00 0.00 C ATOM 1180 CG LEU A 81 3.259 -8.450 3.874 1.00 0.00 C ATOM 1181 CD1 LEU A 81 3.908 -7.780 5.081 1.00 0.00 C ATOM 1182 CD2 LEU A 81 4.092 -8.172 2.623 1.00 0.00 C ATOM 0 H LEU A 81 0.919 -9.136 4.466 1.00 0.00 H new ATOM 0 HA LEU A 81 2.232 -10.715 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.085 -10.156 5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.125 -10.428 3.804 1.00 0.00 H new ATOM 0 HG LEU A 81 2.254 -8.054 3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.960 -6.704 4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.314 -7.982 5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.915 -8.175 5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.138 -7.097 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.101 -8.561 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.632 -8.660 1.764 1.00 0.00 H new ATOM 1194 N GLU A 82 1.072 -11.994 5.086 1.00 0.00 N ATOM 1195 CA GLU A 82 0.767 -13.317 5.704 1.00 0.00 C ATOM 1196 C GLU A 82 -0.731 -13.507 6.004 1.00 0.00 C ATOM 1197 O GLU A 82 -1.157 -14.600 6.325 1.00 0.00 O ATOM 1198 CB GLU A 82 1.578 -13.323 7.001 1.00 0.00 C ATOM 1199 CG GLU A 82 1.017 -14.369 7.967 1.00 0.00 C ATOM 1200 CD GLU A 82 2.135 -14.873 8.881 1.00 0.00 C ATOM 1201 OE1 GLU A 82 3.202 -15.171 8.370 1.00 0.00 O ATOM 1202 OE2 GLU A 82 1.905 -14.953 10.076 1.00 0.00 O ATOM 0 H GLU A 82 0.772 -11.179 5.622 1.00 0.00 H new ATOM 0 HA GLU A 82 1.023 -14.133 5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.624 -13.541 6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.547 -12.336 7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.214 -13.935 8.563 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.587 -15.201 7.409 1.00 0.00 H new ATOM 1209 N LYS A 83 -1.535 -12.485 5.926 1.00 0.00 N ATOM 1210 CA LYS A 83 -2.983 -12.690 6.242 1.00 0.00 C ATOM 1211 C LYS A 83 -3.807 -12.925 4.971 1.00 0.00 C ATOM 1212 O LYS A 83 -4.250 -14.026 4.706 1.00 0.00 O ATOM 1213 CB LYS A 83 -3.435 -11.419 6.960 1.00 0.00 C ATOM 1214 CG LYS A 83 -4.679 -11.722 7.800 1.00 0.00 C ATOM 1215 CD LYS A 83 -4.419 -11.328 9.256 1.00 0.00 C ATOM 1216 CE LYS A 83 -4.657 -12.537 10.164 1.00 0.00 C ATOM 1217 NZ LYS A 83 -3.615 -12.436 11.223 1.00 0.00 N ATOM 0 H LYS A 83 -1.266 -11.537 5.664 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.129 -13.575 6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.634 -11.045 7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -3.655 -10.637 6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.536 -11.173 7.411 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.924 -12.782 7.737 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.396 -10.971 9.370 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.077 -10.508 9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.659 -12.517 10.593 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.566 -13.471 9.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.714 -13.232 11.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.672 -12.465 10.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.730 -11.540 11.739 1.00 0.00 H new ATOM 1231 N GLU A 84 -4.036 -11.906 4.192 1.00 0.00 N ATOM 1232 CA GLU A 84 -4.854 -12.086 2.955 1.00 0.00 C ATOM 1233 C GLU A 84 -4.804 -10.813 2.099 1.00 0.00 C ATOM 1234 O GLU A 84 -4.102 -9.879 2.430 1.00 0.00 O ATOM 1235 CB GLU A 84 -6.270 -12.339 3.479 1.00 0.00 C ATOM 1236 CG GLU A 84 -6.683 -13.780 3.165 1.00 0.00 C ATOM 1237 CD GLU A 84 -7.895 -14.160 4.016 1.00 0.00 C ATOM 1238 OE1 GLU A 84 -8.279 -13.361 4.854 1.00 0.00 O ATOM 1239 OE2 GLU A 84 -8.419 -15.243 3.816 1.00 0.00 O ATOM 0 H GLU A 84 -3.695 -10.959 4.355 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.497 -12.898 2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.307 -12.165 4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.969 -11.641 3.019 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.923 -13.878 2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.855 -14.459 3.368 1.00 0.00 H new ATOM 1246 N PRO A 85 -5.549 -10.812 1.023 1.00 0.00 N ATOM 1247 CA PRO A 85 -5.572 -9.630 0.128 1.00 0.00 C ATOM 1248 C PRO A 85 -6.235 -8.444 0.834 1.00 0.00 C ATOM 1249 O PRO A 85 -6.893 -8.598 1.843 1.00 0.00 O ATOM 1250 CB PRO A 85 -6.387 -10.101 -1.075 1.00 0.00 C ATOM 1251 CG PRO A 85 -7.229 -11.218 -0.553 1.00 0.00 C ATOM 1252 CD PRO A 85 -6.431 -11.883 0.538 1.00 0.00 C ATOM 0 HA PRO A 85 -4.579 -9.285 -0.161 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -7.003 -9.296 -1.475 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.739 -10.439 -1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.176 -10.842 -0.166 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.468 -11.927 -1.346 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -7.075 -12.262 1.331 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.861 -12.731 0.158 1.00 0.00 H new ATOM 1260 N VAL A 86 -6.051 -7.259 0.320 1.00 0.00 N ATOM 1261 CA VAL A 86 -6.653 -6.063 0.975 1.00 0.00 C ATOM 1262 C VAL A 86 -7.742 -5.447 0.094 1.00 0.00 C ATOM 1263 O VAL A 86 -7.484 -5.046 -1.022 1.00 0.00 O ATOM 1264 CB VAL A 86 -5.490 -5.085 1.137 1.00 0.00 C ATOM 1265 CG1 VAL A 86 -6.030 -3.700 1.496 1.00 0.00 C ATOM 1266 CG2 VAL A 86 -4.561 -5.575 2.252 1.00 0.00 C ATOM 0 H VAL A 86 -5.511 -7.067 -0.524 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.126 -6.314 1.924 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.935 -5.026 0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.199 -3.004 1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.689 -3.350 0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.587 -3.758 2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.732 -4.877 2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.117 -5.636 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.173 -6.561 1.995 1.00 0.00 H new ATOM 1276 N PRO A 87 -8.927 -5.378 0.634 1.00 0.00 N ATOM 1277 CA PRO A 87 -10.060 -4.786 -0.104 1.00 0.00 C ATOM 1278 C PRO A 87 -10.001 -3.259 0.012 1.00 0.00 C ATOM 1279 O PRO A 87 -9.394 -2.724 0.916 1.00 0.00 O ATOM 1280 CB PRO A 87 -11.284 -5.341 0.617 1.00 0.00 C ATOM 1281 CG PRO A 87 -10.819 -5.655 2.007 1.00 0.00 C ATOM 1282 CD PRO A 87 -9.322 -5.846 1.967 1.00 0.00 C ATOM 0 HA PRO A 87 -10.064 -5.021 -1.168 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -12.096 -4.614 0.629 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.663 -6.233 0.118 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -11.082 -4.846 2.688 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -11.308 -6.556 2.378 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.828 -5.273 2.751 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -9.051 -6.891 2.117 1.00 0.00 H new ATOM 1290 N MET A 88 -10.625 -2.552 -0.887 1.00 0.00 N ATOM 1291 CA MET A 88 -10.596 -1.061 -0.806 1.00 0.00 C ATOM 1292 C MET A 88 -11.710 -0.568 0.097 1.00 0.00 C ATOM 1293 O MET A 88 -12.074 0.593 0.066 1.00 0.00 O ATOM 1294 CB MET A 88 -10.870 -0.559 -2.213 1.00 0.00 C ATOM 1295 CG MET A 88 -9.969 -1.278 -3.222 1.00 0.00 C ATOM 1296 SD MET A 88 -10.768 -1.284 -4.846 1.00 0.00 S ATOM 1297 CE MET A 88 -9.443 -0.449 -5.755 1.00 0.00 C ATOM 0 H MET A 88 -11.152 -2.937 -1.671 1.00 0.00 H new ATOM 0 HA MET A 88 -9.642 -0.711 -0.413 1.00 0.00 H new ATOM 0 HB2 MET A 88 -11.917 -0.725 -2.468 1.00 0.00 H new ATOM 0 HB3 MET A 88 -10.697 0.516 -2.263 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.002 -0.779 -3.282 1.00 0.00 H new ATOM 0 HG3 MET A 88 -9.780 -2.300 -2.894 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.843 -0.030 -6.678 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.030 0.352 -5.142 1.00 0.00 H new ATOM 0 HE3 MET A 88 -8.657 -1.166 -5.993 1.00 0.00 H new ATOM 1307 N SER A 89 -12.276 -1.423 0.888 1.00 0.00 N ATOM 1308 CA SER A 89 -13.376 -0.967 1.757 1.00 0.00 C ATOM 1309 C SER A 89 -12.905 -0.872 3.189 1.00 0.00 C ATOM 1310 O SER A 89 -12.641 -1.862 3.833 1.00 0.00 O ATOM 1311 CB SER A 89 -14.464 -2.024 1.622 1.00 0.00 C ATOM 1312 OG SER A 89 -15.004 -1.981 0.308 1.00 0.00 O ATOM 0 H SER A 89 -12.026 -2.409 0.969 1.00 0.00 H new ATOM 0 HA SER A 89 -13.737 0.022 1.473 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.053 -3.013 1.826 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.250 -1.848 2.356 1.00 0.00 H new ATOM 0 HG SER A 89 -15.703 -2.662 0.219 1.00 0.00 H new ATOM 1318 N LEU A 90 -12.805 0.316 3.689 1.00 0.00 N ATOM 1319 CA LEU A 90 -12.367 0.494 5.094 1.00 0.00 C ATOM 1320 C LEU A 90 -13.614 0.515 5.994 1.00 0.00 C ATOM 1321 O LEU A 90 -14.286 1.520 6.109 1.00 0.00 O ATOM 1322 CB LEU A 90 -11.597 1.829 5.080 1.00 0.00 C ATOM 1323 CG LEU A 90 -11.931 2.689 6.299 1.00 0.00 C ATOM 1324 CD1 LEU A 90 -11.746 1.875 7.584 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -10.994 3.898 6.332 1.00 0.00 C ATOM 0 H LEU A 90 -13.008 1.179 3.185 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.732 -0.302 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.525 1.630 5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.838 2.379 4.170 1.00 0.00 H new ATOM 0 HG LEU A 90 -12.967 3.020 6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -11.986 2.497 8.446 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -12.408 1.009 7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -10.712 1.539 7.656 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.227 4.516 7.199 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.961 3.556 6.397 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.125 4.485 5.423 1.00 0.00 H new ATOM 1337 N PRO A 91 -13.894 -0.617 6.588 1.00 0.00 N ATOM 1338 CA PRO A 91 -15.082 -0.745 7.474 1.00 0.00 C ATOM 1339 C PRO A 91 -14.961 0.159 8.704 1.00 0.00 C ATOM 1340 O PRO A 91 -13.913 0.704 8.981 1.00 0.00 O ATOM 1341 CB PRO A 91 -15.082 -2.226 7.861 1.00 0.00 C ATOM 1342 CG PRO A 91 -13.666 -2.658 7.681 1.00 0.00 C ATOM 1343 CD PRO A 91 -13.145 -1.877 6.504 1.00 0.00 C ATOM 0 HA PRO A 91 -16.008 -0.438 6.988 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -15.413 -2.368 8.890 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -15.756 -2.802 7.227 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -13.078 -2.455 8.576 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -13.605 -3.731 7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -12.070 -1.713 6.572 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -13.329 -2.394 5.562 1.00 0.00 H new ATOM 1351 N PRO A 92 -16.062 0.294 9.391 1.00 0.00 N ATOM 1352 CA PRO A 92 -16.119 1.153 10.601 1.00 0.00 C ATOM 1353 C PRO A 92 -15.351 0.520 11.761 1.00 0.00 C ATOM 1354 O PRO A 92 -15.128 1.140 12.781 1.00 0.00 O ATOM 1355 CB PRO A 92 -17.608 1.227 10.915 1.00 0.00 C ATOM 1356 CG PRO A 92 -18.197 -0.003 10.305 1.00 0.00 C ATOM 1357 CD PRO A 92 -17.351 -0.348 9.108 1.00 0.00 C ATOM 0 HA PRO A 92 -15.666 2.132 10.445 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -17.783 1.256 11.990 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -18.055 2.128 10.495 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -18.204 -0.824 11.022 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -19.232 0.171 10.009 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -17.243 -1.426 8.992 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.791 0.029 8.185 1.00 0.00 H new ATOM 1365 N ALA A 93 -14.936 -0.704 11.609 1.00 0.00 N ATOM 1366 CA ALA A 93 -14.173 -1.364 12.698 1.00 0.00 C ATOM 1367 C ALA A 93 -12.744 -0.827 12.703 1.00 0.00 C ATOM 1368 O ALA A 93 -11.966 -1.108 13.590 1.00 0.00 O ATOM 1369 CB ALA A 93 -14.196 -2.855 12.357 1.00 0.00 C ATOM 0 H ALA A 93 -15.092 -1.275 10.778 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.595 -1.179 13.686 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.650 -3.411 13.119 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.228 -3.204 12.322 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -13.726 -3.013 11.386 1.00 0.00 H new ATOM 1375 N LEU A 94 -12.396 -0.049 11.713 1.00 0.00 N ATOM 1376 CA LEU A 94 -11.021 0.511 11.659 1.00 0.00 C ATOM 1377 C LEU A 94 -11.054 2.026 11.888 1.00 0.00 C ATOM 1378 O LEU A 94 -10.042 2.695 11.813 1.00 0.00 O ATOM 1379 CB LEU A 94 -10.519 0.203 10.248 1.00 0.00 C ATOM 1380 CG LEU A 94 -10.334 -1.306 10.080 1.00 0.00 C ATOM 1381 CD1 LEU A 94 -10.893 -1.737 8.724 1.00 0.00 C ATOM 1382 CD2 LEU A 94 -8.843 -1.648 10.144 1.00 0.00 C ATOM 0 H LEU A 94 -13.006 0.221 10.941 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.376 0.084 12.427 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -11.230 0.576 9.510 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.574 0.716 10.068 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.862 -1.828 10.878 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.762 -2.812 8.602 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -11.954 -1.492 8.673 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.362 -1.214 7.929 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.711 -2.723 10.024 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.315 -1.126 9.345 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.440 -1.338 11.108 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.209 2.575 12.157 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.296 4.048 12.377 1.00 0.00 C ATOM 1396 C VAL A 95 -12.071 4.387 13.854 1.00 0.00 C ATOM 1397 O VAL A 95 -12.901 4.096 14.691 1.00 0.00 O ATOM 1398 CB VAL A 95 -13.715 4.433 11.952 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -14.043 5.835 12.470 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.807 4.423 10.425 1.00 0.00 C ATOM 0 H VAL A 95 -13.092 2.070 12.234 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.538 4.589 11.811 1.00 0.00 H new ATOM 0 HB VAL A 95 -14.425 3.717 12.367 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -15.054 6.108 12.167 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -13.975 5.846 13.558 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -13.334 6.551 12.055 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -14.817 4.697 10.120 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.096 5.139 10.013 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -13.573 3.425 10.053 1.00 0.00 H new ATOM 1410 N PRO A 96 -10.954 5.007 14.117 1.00 0.00 N ATOM 1411 CA PRO A 96 -10.617 5.408 15.504 1.00 0.00 C ATOM 1412 C PRO A 96 -11.510 6.576 15.930 1.00 0.00 C ATOM 1413 O PRO A 96 -12.281 7.080 15.139 1.00 0.00 O ATOM 1414 CB PRO A 96 -9.156 5.838 15.408 1.00 0.00 C ATOM 1415 CG PRO A 96 -8.962 6.229 13.978 1.00 0.00 C ATOM 1416 CD PRO A 96 -9.911 5.393 13.161 1.00 0.00 C ATOM 0 HA PRO A 96 -10.767 4.617 16.239 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -8.945 6.672 16.077 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -8.486 5.026 15.690 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -9.164 7.291 13.838 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.931 6.057 13.668 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -10.324 5.959 12.326 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.413 4.520 12.739 1.00 0.00 H new ATOM 1424 N PRO A 97 -11.379 6.972 17.165 1.00 0.00 N ATOM 1425 CA PRO A 97 -12.195 8.097 17.687 1.00 0.00 C ATOM 1426 C PRO A 97 -11.736 9.419 17.078 1.00 0.00 C ATOM 1427 O PRO A 97 -11.402 10.359 17.775 1.00 0.00 O ATOM 1428 CB PRO A 97 -11.936 8.061 19.190 1.00 0.00 C ATOM 1429 CG PRO A 97 -10.607 7.388 19.336 1.00 0.00 C ATOM 1430 CD PRO A 97 -10.476 6.424 18.184 1.00 0.00 C ATOM 0 HA PRO A 97 -13.254 8.009 17.444 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -11.918 9.066 19.612 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -12.718 7.509 19.712 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.800 8.120 19.321 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -10.543 6.862 20.289 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.449 6.371 17.822 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.765 5.414 18.473 1.00 0.00 H new ATOM 1438 N SER A 98 -11.738 9.502 15.780 1.00 0.00 N ATOM 1439 CA SER A 98 -11.328 10.763 15.109 1.00 0.00 C ATOM 1440 C SER A 98 -12.328 11.084 14.010 1.00 0.00 C ATOM 1441 O SER A 98 -12.720 12.219 13.816 1.00 0.00 O ATOM 1442 CB SER A 98 -9.941 10.485 14.531 1.00 0.00 C ATOM 1443 OG SER A 98 -9.114 9.927 15.543 1.00 0.00 O ATOM 0 H SER A 98 -12.008 8.746 15.151 1.00 0.00 H new ATOM 0 HA SER A 98 -11.301 11.617 15.786 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.017 9.799 13.688 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.500 11.407 14.153 1.00 0.00 H new ATOM 0 HG SER A 98 -8.224 9.746 15.175 1.00 0.00 H new ATOM 1449 N LYS A 99 -12.767 10.083 13.309 1.00 0.00 N ATOM 1450 CA LYS A 99 -13.772 10.309 12.245 1.00 0.00 C ATOM 1451 C LYS A 99 -15.167 10.197 12.858 1.00 0.00 C ATOM 1452 O LYS A 99 -16.166 10.232 12.167 1.00 0.00 O ATOM 1453 CB LYS A 99 -13.537 9.191 11.227 1.00 0.00 C ATOM 1454 CG LYS A 99 -13.867 9.699 9.821 1.00 0.00 C ATOM 1455 CD LYS A 99 -14.462 8.558 8.991 1.00 0.00 C ATOM 1456 CE LYS A 99 -13.496 7.370 8.985 1.00 0.00 C ATOM 1457 NZ LYS A 99 -12.706 7.522 7.729 1.00 0.00 N ATOM 0 H LYS A 99 -12.471 9.114 13.428 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.689 11.291 11.779 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.500 8.858 11.270 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.159 8.329 11.468 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -14.573 10.527 9.879 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.966 10.081 9.340 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.424 8.256 9.406 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.647 8.895 7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.849 7.383 9.862 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.035 6.423 9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.857 6.923 7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.287 7.233 6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.422 8.516 7.616 1.00 0.00 H new ATOM 1471 N ARG A 100 -15.243 10.058 14.161 1.00 0.00 N ATOM 1472 CA ARG A 100 -16.578 9.942 14.814 1.00 0.00 C ATOM 1473 C ARG A 100 -17.519 11.041 14.307 1.00 0.00 C ATOM 1474 O ARG A 100 -17.278 12.216 14.498 1.00 0.00 O ATOM 1475 CB ARG A 100 -16.300 10.113 16.306 1.00 0.00 C ATOM 1476 CG ARG A 100 -15.649 8.840 16.850 1.00 0.00 C ATOM 1477 CD ARG A 100 -16.511 7.629 16.484 1.00 0.00 C ATOM 1478 NE ARG A 100 -15.838 7.016 15.304 1.00 0.00 N ATOM 1479 CZ ARG A 100 -15.708 5.719 15.225 1.00 0.00 C ATOM 1480 NH1 ARG A 100 -14.993 5.079 16.109 1.00 0.00 N ATOM 1481 NH2 ARG A 100 -16.297 5.062 14.263 1.00 0.00 N ATOM 0 H ARG A 100 -14.443 10.021 14.793 1.00 0.00 H new ATOM 0 HA ARG A 100 -17.064 8.991 14.596 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -15.645 10.968 16.469 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -17.229 10.316 16.839 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -14.647 8.725 16.436 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -15.540 8.908 17.932 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -16.573 6.924 17.313 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -17.531 7.929 16.244 1.00 0.00 H new ATOM 0 HE ARG A 100 -15.478 7.610 14.557 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -14.535 5.592 16.863 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -14.892 4.066 16.047 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -16.858 5.562 13.573 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -16.196 4.049 14.201 1.00 0.00 H new TER 1495 ARG A 100 HETATM 1496 CA CA A 107 -4.958 11.600 7.338 1.00 12.07 CA