USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=14 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 42 ASN : amide:sc= -4.95! C(o=-5.1!,f=-3.1!) USER MOD Set 1.2: A 43 SER OG : rot 127:sc= -0.119! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.381) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 33:sc= -3.02! USER MOD Single : A 23 SER OG : rot 180:sc= -0.274 USER MOD Single : A 25 SER OG : rot 99:sc= -0.35! USER MOD Single : A 28 ASN : amide:sc= -2.06! C(o=-2.1!,f=-1.4!) USER MOD Single : A 32 SER OG : rot -170:sc= -2.96! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -119:sc= -0.102 (180deg=-0.964) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -76:sc= -6.04! USER MOD Single : A 61 HIS : no HD1:sc= -9.12! C(o=-9.1!,f=-9.9!) USER MOD Single : A 64 MET CE :methyl -152:sc= -0.236 (180deg=-1.14) USER MOD Single : A 74 MET CE :methyl -137:sc= -4.3! (180deg=-8.91!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= -2.41 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 49:sc= 1.08 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0169 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 6 -14.351 -4.321 18.727 1.00 0.00 N ATOM 2 CA PRO A 6 -13.445 -3.180 19.002 1.00 0.00 C ATOM 3 C PRO A 6 -12.754 -2.714 17.719 1.00 0.00 C ATOM 4 O PRO A 6 -13.150 -3.058 16.624 1.00 0.00 O ATOM 5 CB PRO A 6 -12.428 -3.760 19.980 1.00 0.00 C ATOM 6 CG PRO A 6 -12.425 -5.233 19.718 1.00 0.00 C ATOM 7 CD PRO A 6 -13.783 -5.599 19.170 1.00 0.00 C ATOM 0 HA PRO A 6 -13.968 -2.309 19.397 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.439 -3.330 19.820 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.707 -3.544 21.011 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.641 -5.494 19.007 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.220 -5.785 20.635 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.702 -6.306 18.344 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -14.406 -6.069 19.931 1.00 0.00 H new ATOM 15 N TRP A 7 -11.720 -1.932 17.855 1.00 0.00 N ATOM 16 CA TRP A 7 -10.988 -1.433 16.656 1.00 0.00 C ATOM 17 C TRP A 7 -10.151 -2.562 16.044 1.00 0.00 C ATOM 18 O TRP A 7 -9.422 -3.250 16.731 1.00 0.00 O ATOM 19 CB TRP A 7 -10.089 -0.319 17.191 1.00 0.00 C ATOM 20 CG TRP A 7 -9.312 0.276 16.066 1.00 0.00 C ATOM 21 CD1 TRP A 7 -9.672 0.221 14.767 1.00 0.00 C ATOM 22 CD2 TRP A 7 -8.055 1.013 16.113 1.00 0.00 C ATOM 23 NE1 TRP A 7 -8.717 0.874 14.010 1.00 0.00 N ATOM 24 CE2 TRP A 7 -7.700 1.380 14.795 1.00 0.00 C ATOM 25 CE3 TRP A 7 -7.198 1.393 17.163 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -6.534 2.098 14.525 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -6.024 2.117 16.895 1.00 0.00 C ATOM 28 CH2 TRP A 7 -5.693 2.469 15.578 1.00 0.00 C ATOM 0 H TRP A 7 -11.348 -1.615 18.750 1.00 0.00 H new ATOM 0 HA TRP A 7 -11.656 -1.077 15.872 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -10.692 0.448 17.676 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.410 -0.716 17.946 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.561 -0.255 14.381 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -8.759 0.970 12.995 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.444 1.127 18.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.283 2.365 13.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.373 2.404 17.707 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.790 3.026 15.378 1.00 0.00 H new ATOM 39 N ALA A 8 -10.253 -2.757 14.759 1.00 0.00 N ATOM 40 CA ALA A 8 -9.469 -3.840 14.099 1.00 0.00 C ATOM 41 C ALA A 8 -8.024 -3.832 14.601 1.00 0.00 C ATOM 42 O ALA A 8 -7.356 -4.848 14.618 1.00 0.00 O ATOM 43 CB ALA A 8 -9.521 -3.513 12.607 1.00 0.00 C ATOM 0 H ALA A 8 -10.847 -2.212 14.135 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.872 -4.830 14.314 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.965 -4.267 12.050 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.558 -3.506 12.272 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.077 -2.533 12.434 1.00 0.00 H new ATOM 49 N VAL A 9 -7.535 -2.695 15.011 1.00 0.00 N ATOM 50 CA VAL A 9 -6.131 -2.628 15.512 1.00 0.00 C ATOM 51 C VAL A 9 -6.097 -2.890 17.021 1.00 0.00 C ATOM 52 O VAL A 9 -6.918 -2.397 17.768 1.00 0.00 O ATOM 53 CB VAL A 9 -5.661 -1.207 15.192 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.430 -0.868 16.035 1.00 0.00 C ATOM 55 CG2 VAL A 9 -5.302 -1.112 13.708 1.00 0.00 C ATOM 0 H VAL A 9 -8.044 -1.811 15.022 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.488 -3.377 15.049 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.461 -0.503 15.421 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.099 0.144 15.804 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.684 -0.934 17.093 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.629 -1.572 15.809 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.967 -0.100 13.479 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.504 -1.819 13.481 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.179 -1.349 13.106 1.00 0.00 H new ATOM 65 N LYS A 10 -5.148 -3.664 17.472 1.00 0.00 N ATOM 66 CA LYS A 10 -5.050 -3.964 18.929 1.00 0.00 C ATOM 67 C LYS A 10 -4.109 -2.961 19.599 1.00 0.00 C ATOM 68 O LYS A 10 -3.405 -2.235 18.926 1.00 0.00 O ATOM 69 CB LYS A 10 -4.464 -5.378 18.986 1.00 0.00 C ATOM 70 CG LYS A 10 -5.429 -6.358 18.318 1.00 0.00 C ATOM 71 CD LYS A 10 -5.562 -7.613 19.184 1.00 0.00 C ATOM 72 CE LYS A 10 -5.916 -8.809 18.296 1.00 0.00 C ATOM 73 NZ LYS A 10 -7.013 -9.513 19.020 1.00 0.00 N ATOM 0 H LYS A 10 -4.433 -4.103 16.892 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.008 -3.896 19.445 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.497 -5.403 18.483 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.292 -5.670 20.022 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.404 -5.890 18.184 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.065 -6.625 17.326 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.629 -7.803 19.714 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.333 -7.466 19.940 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.240 -8.485 17.307 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.055 -9.462 18.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.311 -10.346 18.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.673 -9.816 19.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.821 -8.869 19.137 1.00 0.00 H new ATOM 87 N PRO A 11 -4.114 -2.956 20.907 1.00 0.00 N ATOM 88 CA PRO A 11 -3.228 -2.032 21.655 1.00 0.00 C ATOM 89 C PRO A 11 -1.768 -2.410 21.416 1.00 0.00 C ATOM 90 O PRO A 11 -0.899 -1.565 21.337 1.00 0.00 O ATOM 91 CB PRO A 11 -3.633 -2.248 23.112 1.00 0.00 C ATOM 92 CG PRO A 11 -4.238 -3.612 23.138 1.00 0.00 C ATOM 93 CD PRO A 11 -4.916 -3.793 21.806 1.00 0.00 C ATOM 0 HA PRO A 11 -3.324 -0.989 21.353 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.771 -2.184 23.776 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.346 -1.492 23.441 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.474 -4.374 23.293 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.953 -3.706 23.955 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.915 -4.837 21.492 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.957 -3.470 21.836 1.00 0.00 H new ATOM 101 N GLU A 12 -1.496 -3.678 21.277 1.00 0.00 N ATOM 102 CA GLU A 12 -0.096 -4.112 21.018 1.00 0.00 C ATOM 103 C GLU A 12 0.279 -3.770 19.577 1.00 0.00 C ATOM 104 O GLU A 12 1.433 -3.579 19.250 1.00 0.00 O ATOM 105 CB GLU A 12 -0.096 -5.626 21.234 1.00 0.00 C ATOM 106 CG GLU A 12 -1.003 -6.294 20.198 1.00 0.00 C ATOM 107 CD GLU A 12 -0.199 -6.599 18.933 1.00 0.00 C ATOM 108 OE1 GLU A 12 0.973 -6.911 19.061 1.00 0.00 O ATOM 109 OE2 GLU A 12 -0.769 -6.515 17.857 1.00 0.00 O ATOM 0 H GLU A 12 -2.182 -4.431 21.332 1.00 0.00 H new ATOM 0 HA GLU A 12 0.626 -3.619 21.670 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.918 -6.015 21.149 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.443 -5.860 22.240 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.422 -7.214 20.606 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.842 -5.641 19.959 1.00 0.00 H new ATOM 116 N ASP A 13 -0.697 -3.670 18.719 1.00 0.00 N ATOM 117 CA ASP A 13 -0.412 -3.313 17.304 1.00 0.00 C ATOM 118 C ASP A 13 -0.311 -1.797 17.194 1.00 0.00 C ATOM 119 O ASP A 13 0.518 -1.263 16.487 1.00 0.00 O ATOM 120 CB ASP A 13 -1.610 -3.835 16.508 1.00 0.00 C ATOM 121 CG ASP A 13 -1.171 -4.996 15.615 1.00 0.00 C ATOM 122 OD1 ASP A 13 -0.142 -4.869 14.972 1.00 0.00 O ATOM 123 OD2 ASP A 13 -1.873 -5.994 15.589 1.00 0.00 O ATOM 0 H ASP A 13 -1.682 -3.821 18.938 1.00 0.00 H new ATOM 0 HA ASP A 13 0.521 -3.738 16.935 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.395 -4.164 17.189 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.031 -3.035 15.899 1.00 0.00 H new ATOM 128 N LYS A 14 -1.143 -1.099 17.911 1.00 0.00 N ATOM 129 CA LYS A 14 -1.091 0.386 17.872 1.00 0.00 C ATOM 130 C LYS A 14 0.210 0.860 18.517 1.00 0.00 C ATOM 131 O LYS A 14 0.641 1.979 18.322 1.00 0.00 O ATOM 132 CB LYS A 14 -2.296 0.853 18.683 1.00 0.00 C ATOM 133 CG LYS A 14 -2.228 2.369 18.872 1.00 0.00 C ATOM 134 CD LYS A 14 -2.709 3.066 17.597 1.00 0.00 C ATOM 135 CE LYS A 14 -1.637 4.050 17.121 1.00 0.00 C ATOM 136 NZ LYS A 14 -1.587 5.102 18.175 1.00 0.00 N ATOM 0 H LYS A 14 -1.858 -1.493 18.523 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.119 0.782 16.857 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.219 0.581 18.172 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.310 0.355 19.653 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.847 2.669 19.718 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.206 2.672 19.101 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.912 2.328 16.821 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.644 3.593 17.788 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.671 3.558 17.008 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.894 4.475 16.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.229 5.988 17.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.542 5.258 18.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.955 4.795 18.942 1.00 0.00 H new ATOM 150 N ALA A 15 0.847 0.005 19.273 1.00 0.00 N ATOM 151 CA ALA A 15 2.130 0.397 19.919 1.00 0.00 C ATOM 152 C ALA A 15 3.253 0.279 18.893 1.00 0.00 C ATOM 153 O ALA A 15 4.121 1.124 18.806 1.00 0.00 O ATOM 154 CB ALA A 15 2.327 -0.598 21.062 1.00 0.00 C ATOM 0 H ALA A 15 0.534 -0.946 19.470 1.00 0.00 H new ATOM 0 HA ALA A 15 2.127 1.422 20.289 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.256 -0.371 21.586 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.491 -0.524 21.757 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.375 -1.610 20.659 1.00 0.00 H new ATOM 160 N LYS A 16 3.223 -0.751 18.092 1.00 0.00 N ATOM 161 CA LYS A 16 4.268 -0.900 17.050 1.00 0.00 C ATOM 162 C LYS A 16 3.909 0.020 15.883 1.00 0.00 C ATOM 163 O LYS A 16 4.758 0.459 15.133 1.00 0.00 O ATOM 164 CB LYS A 16 4.243 -2.381 16.660 1.00 0.00 C ATOM 165 CG LYS A 16 3.194 -2.625 15.583 1.00 0.00 C ATOM 166 CD LYS A 16 2.822 -4.109 15.555 1.00 0.00 C ATOM 167 CE LYS A 16 3.870 -4.886 14.756 1.00 0.00 C ATOM 168 NZ LYS A 16 3.807 -6.276 15.290 1.00 0.00 N ATOM 0 H LYS A 16 2.521 -1.491 18.117 1.00 0.00 H new ATOM 0 HA LYS A 16 5.269 -0.623 17.380 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.225 -2.685 16.297 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.024 -2.991 17.536 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.308 -2.021 15.781 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.579 -2.318 14.610 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.763 -4.499 16.571 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.837 -4.239 15.106 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.650 -4.863 13.689 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.864 -4.457 14.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.498 -6.871 14.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.027 -6.268 16.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.851 -6.660 15.146 1.00 0.00 H new ATOM 182 N TYR A 17 2.647 0.344 15.755 1.00 0.00 N ATOM 183 CA TYR A 17 2.217 1.271 14.671 1.00 0.00 C ATOM 184 C TYR A 17 2.627 2.685 15.066 1.00 0.00 C ATOM 185 O TYR A 17 3.004 3.498 14.245 1.00 0.00 O ATOM 186 CB TYR A 17 0.687 1.174 14.620 1.00 0.00 C ATOM 187 CG TYR A 17 0.246 -0.203 14.172 1.00 0.00 C ATOM 188 CD1 TYR A 17 1.187 -1.221 13.972 1.00 0.00 C ATOM 189 CD2 TYR A 17 -1.115 -0.459 13.964 1.00 0.00 C ATOM 190 CE1 TYR A 17 0.767 -2.491 13.566 1.00 0.00 C ATOM 191 CE2 TYR A 17 -1.535 -1.730 13.555 1.00 0.00 C ATOM 192 CZ TYR A 17 -0.594 -2.747 13.356 1.00 0.00 C ATOM 193 OH TYR A 17 -1.006 -4.001 12.955 1.00 0.00 O ATOM 0 H TYR A 17 1.897 0.005 16.357 1.00 0.00 H new ATOM 0 HA TYR A 17 2.662 1.026 13.707 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.272 1.390 15.605 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.294 1.926 13.936 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.237 -1.025 14.131 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.841 0.325 14.119 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.493 -3.276 13.414 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.585 -1.926 13.393 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.417 -4.679 13.346 1.00 0.00 H new ATOM 203 N ASP A 18 2.554 2.974 16.339 1.00 0.00 N ATOM 204 CA ASP A 18 2.935 4.327 16.829 1.00 0.00 C ATOM 205 C ASP A 18 4.458 4.465 16.867 1.00 0.00 C ATOM 206 O ASP A 18 4.990 5.550 16.999 1.00 0.00 O ATOM 207 CB ASP A 18 2.344 4.414 18.239 1.00 0.00 C ATOM 208 CG ASP A 18 2.388 5.863 18.726 1.00 0.00 C ATOM 209 OD1 ASP A 18 2.413 6.748 17.886 1.00 0.00 O ATOM 210 OD2 ASP A 18 2.396 6.064 19.929 1.00 0.00 O ATOM 0 H ASP A 18 2.245 2.325 17.063 1.00 0.00 H new ATOM 0 HA ASP A 18 2.565 5.124 16.184 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.316 4.052 18.236 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.905 3.774 18.920 1.00 0.00 H new ATOM 215 N ALA A 19 5.164 3.379 16.716 1.00 0.00 N ATOM 216 CA ALA A 19 6.651 3.456 16.704 1.00 0.00 C ATOM 217 C ALA A 19 7.084 3.544 15.253 1.00 0.00 C ATOM 218 O ALA A 19 8.027 4.225 14.900 1.00 0.00 O ATOM 219 CB ALA A 19 7.137 2.156 17.339 1.00 0.00 C ATOM 0 H ALA A 19 4.776 2.443 16.601 1.00 0.00 H new ATOM 0 HA ALA A 19 7.051 4.314 17.244 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.227 2.147 17.362 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.752 2.082 18.356 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.779 1.309 16.753 1.00 0.00 H new ATOM 225 N ILE A 20 6.352 2.882 14.406 1.00 0.00 N ATOM 226 CA ILE A 20 6.642 2.931 12.961 1.00 0.00 C ATOM 227 C ILE A 20 6.154 4.278 12.445 1.00 0.00 C ATOM 228 O ILE A 20 6.725 4.867 11.551 1.00 0.00 O ATOM 229 CB ILE A 20 5.812 1.794 12.374 1.00 0.00 C ATOM 230 CG1 ILE A 20 6.509 0.457 12.620 1.00 0.00 C ATOM 231 CG2 ILE A 20 5.641 2.014 10.879 1.00 0.00 C ATOM 232 CD1 ILE A 20 5.473 -0.667 12.541 1.00 0.00 C ATOM 0 H ILE A 20 5.554 2.302 14.664 1.00 0.00 H new ATOM 0 HA ILE A 20 7.697 2.826 12.706 1.00 0.00 H new ATOM 0 HB ILE A 20 4.834 1.778 12.855 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.293 0.299 11.879 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.990 0.458 13.598 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.048 1.202 10.457 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.132 2.963 10.707 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.620 2.035 10.400 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.962 -1.625 12.715 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.705 -0.508 13.298 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.013 -0.669 11.553 1.00 0.00 H new ATOM 244 N PHE A 21 5.100 4.772 13.037 1.00 0.00 N ATOM 245 CA PHE A 21 4.557 6.090 12.630 1.00 0.00 C ATOM 246 C PHE A 21 5.557 7.177 13.028 1.00 0.00 C ATOM 247 O PHE A 21 5.769 8.140 12.319 1.00 0.00 O ATOM 248 CB PHE A 21 3.237 6.223 13.405 1.00 0.00 C ATOM 249 CG PHE A 21 2.982 7.668 13.773 1.00 0.00 C ATOM 250 CD1 PHE A 21 3.685 8.248 14.836 1.00 0.00 C ATOM 251 CD2 PHE A 21 2.050 8.422 13.053 1.00 0.00 C ATOM 252 CE1 PHE A 21 3.454 9.585 15.179 1.00 0.00 C ATOM 253 CE2 PHE A 21 1.819 9.758 13.396 1.00 0.00 C ATOM 254 CZ PHE A 21 2.522 10.340 14.460 1.00 0.00 C ATOM 0 H PHE A 21 4.591 4.311 13.791 1.00 0.00 H new ATOM 0 HA PHE A 21 4.391 6.185 11.557 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.413 5.845 12.799 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.275 5.613 14.308 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.405 7.664 15.391 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.509 7.973 12.233 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.995 10.034 15.999 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.099 10.341 12.841 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.344 11.372 14.725 1.00 0.00 H new ATOM 264 N ASP A 22 6.176 7.017 14.164 1.00 0.00 N ATOM 265 CA ASP A 22 7.170 8.022 14.625 1.00 0.00 C ATOM 266 C ASP A 22 8.564 7.653 14.110 1.00 0.00 C ATOM 267 O ASP A 22 9.535 8.334 14.374 1.00 0.00 O ATOM 268 CB ASP A 22 7.120 7.960 16.151 1.00 0.00 C ATOM 269 CG ASP A 22 8.254 8.806 16.733 1.00 0.00 C ATOM 270 OD1 ASP A 22 8.363 9.959 16.347 1.00 0.00 O ATOM 271 OD2 ASP A 22 8.994 8.289 17.552 1.00 0.00 O ATOM 0 H ASP A 22 6.034 6.229 14.795 1.00 0.00 H new ATOM 0 HA ASP A 22 6.951 9.024 14.256 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.158 8.326 16.509 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.213 6.927 16.487 1.00 0.00 H new ATOM 276 N SER A 23 8.667 6.591 13.354 1.00 0.00 N ATOM 277 CA SER A 23 9.991 6.196 12.797 1.00 0.00 C ATOM 278 C SER A 23 10.144 6.821 11.409 1.00 0.00 C ATOM 279 O SER A 23 11.143 6.654 10.737 1.00 0.00 O ATOM 280 CB SER A 23 9.951 4.670 12.712 1.00 0.00 C ATOM 281 OG SER A 23 10.302 4.261 11.397 1.00 0.00 O ATOM 0 H SER A 23 7.890 5.981 13.099 1.00 0.00 H new ATOM 0 HA SER A 23 10.832 6.531 13.405 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.641 4.236 13.436 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.955 4.307 12.964 1.00 0.00 H new ATOM 0 HG SER A 23 10.278 3.283 11.341 1.00 0.00 H new ATOM 287 N LEU A 24 9.145 7.548 10.989 1.00 0.00 N ATOM 288 CA LEU A 24 9.184 8.213 9.656 1.00 0.00 C ATOM 289 C LEU A 24 9.213 9.730 9.855 1.00 0.00 C ATOM 290 O LEU A 24 9.260 10.489 8.908 1.00 0.00 O ATOM 291 CB LEU A 24 7.880 7.818 8.944 1.00 0.00 C ATOM 292 CG LEU A 24 7.286 6.542 9.544 1.00 0.00 C ATOM 293 CD1 LEU A 24 5.910 6.282 8.931 1.00 0.00 C ATOM 294 CD2 LEU A 24 8.205 5.361 9.242 1.00 0.00 C ATOM 0 H LEU A 24 8.291 7.712 11.522 1.00 0.00 H new ATOM 0 HA LEU A 24 10.061 7.918 9.080 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.158 8.631 9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.074 7.668 7.882 1.00 0.00 H new ATOM 0 HG LEU A 24 7.188 6.661 10.623 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.487 5.373 9.359 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.252 7.124 9.145 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.009 6.163 7.852 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.782 4.452 9.669 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.303 5.243 8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.187 5.544 9.678 1.00 0.00 H new ATOM 306 N SER A 25 9.156 10.163 11.094 1.00 0.00 N ATOM 307 CA SER A 25 9.153 11.627 11.413 1.00 0.00 C ATOM 308 C SER A 25 7.735 12.177 11.273 1.00 0.00 C ATOM 309 O SER A 25 7.333 12.613 10.211 1.00 0.00 O ATOM 310 CB SER A 25 10.098 12.300 10.419 1.00 0.00 C ATOM 311 OG SER A 25 11.168 11.414 10.115 1.00 0.00 O ATOM 0 H SER A 25 9.111 9.553 11.910 1.00 0.00 H new ATOM 0 HA SER A 25 9.482 11.816 12.435 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.559 12.564 9.509 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.487 13.227 10.840 1.00 0.00 H new ATOM 0 HG SER A 25 10.989 10.966 9.262 1.00 0.00 H new ATOM 317 N PRO A 26 7.022 12.120 12.361 1.00 0.00 N ATOM 318 CA PRO A 26 5.621 12.601 12.389 1.00 0.00 C ATOM 319 C PRO A 26 5.574 14.125 12.403 1.00 0.00 C ATOM 320 O PRO A 26 6.464 14.784 12.904 1.00 0.00 O ATOM 321 CB PRO A 26 5.076 12.037 13.695 1.00 0.00 C ATOM 322 CG PRO A 26 6.274 11.848 14.568 1.00 0.00 C ATOM 323 CD PRO A 26 7.457 11.609 13.663 1.00 0.00 C ATOM 0 HA PRO A 26 5.048 12.287 11.517 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.360 12.721 14.151 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.556 11.094 13.530 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.438 12.728 15.190 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.129 11.003 15.242 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.344 12.132 14.020 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.711 10.550 13.611 1.00 0.00 H new ATOM 331 N VAL A 27 4.535 14.686 11.861 1.00 0.00 N ATOM 332 CA VAL A 27 4.408 16.168 11.842 1.00 0.00 C ATOM 333 C VAL A 27 3.173 16.585 12.642 1.00 0.00 C ATOM 334 O VAL A 27 2.064 16.564 12.145 1.00 0.00 O ATOM 335 CB VAL A 27 4.248 16.531 10.368 1.00 0.00 C ATOM 336 CG1 VAL A 27 4.068 18.044 10.229 1.00 0.00 C ATOM 337 CG2 VAL A 27 5.497 16.090 9.600 1.00 0.00 C ATOM 0 H VAL A 27 3.763 14.180 11.427 1.00 0.00 H new ATOM 0 HA VAL A 27 5.266 16.672 12.288 1.00 0.00 H new ATOM 0 HB VAL A 27 3.372 16.026 9.961 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.954 18.302 9.176 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.179 18.357 10.777 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.942 18.553 10.634 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.386 16.348 8.547 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.372 16.596 10.007 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.623 15.012 9.698 1.00 0.00 H new ATOM 347 N ASN A 28 3.353 16.950 13.882 1.00 0.00 N ATOM 348 CA ASN A 28 2.186 17.352 14.716 1.00 0.00 C ATOM 349 C ASN A 28 1.158 16.217 14.757 1.00 0.00 C ATOM 350 O ASN A 28 -0.001 16.425 15.050 1.00 0.00 O ATOM 351 CB ASN A 28 1.601 18.585 14.023 1.00 0.00 C ATOM 352 CG ASN A 28 0.297 18.989 14.713 1.00 0.00 C ATOM 353 OD1 ASN A 28 0.315 19.649 15.733 1.00 0.00 O ATOM 354 ND2 ASN A 28 -0.843 18.620 14.194 1.00 0.00 N ATOM 0 H ASN A 28 4.257 16.987 14.353 1.00 0.00 H new ATOM 0 HA ASN A 28 2.468 17.567 15.747 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.314 19.408 14.060 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.416 18.370 12.970 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.718 18.886 14.645 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.858 18.066 13.338 1.00 0.00 H new ATOM 361 N GLY A 29 1.580 15.015 14.465 1.00 0.00 N ATOM 362 CA GLY A 29 0.631 13.865 14.487 1.00 0.00 C ATOM 363 C GLY A 29 0.293 13.452 13.053 1.00 0.00 C ATOM 364 O GLY A 29 -0.801 13.005 12.768 1.00 0.00 O ATOM 0 H GLY A 29 2.540 14.781 14.213 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.073 13.026 15.023 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.278 14.141 15.021 1.00 0.00 H new ATOM 368 N PHE A 30 1.219 13.602 12.146 1.00 0.00 N ATOM 369 CA PHE A 30 0.944 13.222 10.730 1.00 0.00 C ATOM 370 C PHE A 30 2.216 12.766 10.019 1.00 0.00 C ATOM 371 O PHE A 30 3.316 13.108 10.401 1.00 0.00 O ATOM 372 CB PHE A 30 0.425 14.497 10.075 1.00 0.00 C ATOM 373 CG PHE A 30 -0.929 14.826 10.636 1.00 0.00 C ATOM 374 CD1 PHE A 30 -2.063 14.195 10.124 1.00 0.00 C ATOM 375 CD2 PHE A 30 -1.047 15.758 11.670 1.00 0.00 C ATOM 376 CE1 PHE A 30 -3.326 14.497 10.646 1.00 0.00 C ATOM 377 CE2 PHE A 30 -2.305 16.062 12.194 1.00 0.00 C ATOM 378 CZ PHE A 30 -3.447 15.433 11.682 1.00 0.00 C ATOM 0 H PHE A 30 2.153 13.971 12.323 1.00 0.00 H new ATOM 0 HA PHE A 30 0.237 12.394 10.674 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.116 15.320 10.256 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.362 14.365 8.995 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.966 13.474 9.326 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.166 16.243 12.064 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.205 14.010 10.251 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.397 16.782 12.994 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.421 15.669 12.086 1.00 0.00 H new ATOM 388 N LEU A 31 2.058 12.022 8.962 1.00 0.00 N ATOM 389 CA LEU A 31 3.240 11.563 8.182 1.00 0.00 C ATOM 390 C LEU A 31 2.953 11.752 6.698 1.00 0.00 C ATOM 391 O LEU A 31 1.902 11.387 6.207 1.00 0.00 O ATOM 392 CB LEU A 31 3.420 10.081 8.501 1.00 0.00 C ATOM 393 CG LEU A 31 4.008 9.924 9.902 1.00 0.00 C ATOM 394 CD1 LEU A 31 3.789 8.492 10.387 1.00 0.00 C ATOM 395 CD2 LEU A 31 5.510 10.221 9.857 1.00 0.00 C ATOM 0 H LEU A 31 1.156 11.710 8.602 1.00 0.00 H new ATOM 0 HA LEU A 31 4.140 12.124 8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.461 9.567 8.439 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.078 9.618 7.766 1.00 0.00 H new ATOM 0 HG LEU A 31 3.518 10.619 10.584 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.208 8.378 11.387 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.721 8.277 10.415 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.282 7.798 9.706 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.933 10.110 10.855 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.999 9.524 9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.669 11.241 9.507 1.00 0.00 H new ATOM 407 N SER A 32 3.871 12.322 5.980 1.00 0.00 N ATOM 408 CA SER A 32 3.635 12.540 4.527 1.00 0.00 C ATOM 409 C SER A 32 3.904 11.263 3.748 1.00 0.00 C ATOM 410 O SER A 32 4.839 10.537 4.023 1.00 0.00 O ATOM 411 CB SER A 32 4.611 13.636 4.113 1.00 0.00 C ATOM 412 OG SER A 32 5.875 13.057 3.817 1.00 0.00 O ATOM 0 H SER A 32 4.772 12.646 6.331 1.00 0.00 H new ATOM 0 HA SER A 32 2.602 12.824 4.323 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.229 14.168 3.241 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.713 14.369 4.914 1.00 0.00 H new ATOM 0 HG SER A 32 6.542 13.767 3.705 1.00 0.00 H new ATOM 418 N GLY A 33 3.086 10.990 2.773 1.00 0.00 N ATOM 419 CA GLY A 33 3.284 9.761 1.958 1.00 0.00 C ATOM 420 C GLY A 33 4.774 9.594 1.650 1.00 0.00 C ATOM 421 O GLY A 33 5.253 8.499 1.436 1.00 0.00 O ATOM 0 H GLY A 33 2.288 11.565 2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.912 8.889 2.497 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.715 9.830 1.031 1.00 0.00 H new ATOM 425 N ASP A 34 5.512 10.673 1.627 1.00 0.00 N ATOM 426 CA ASP A 34 6.971 10.572 1.335 1.00 0.00 C ATOM 427 C ASP A 34 7.676 9.746 2.417 1.00 0.00 C ATOM 428 O ASP A 34 8.784 9.284 2.234 1.00 0.00 O ATOM 429 CB ASP A 34 7.473 12.014 1.343 1.00 0.00 C ATOM 430 CG ASP A 34 8.836 12.088 0.650 1.00 0.00 C ATOM 431 OD1 ASP A 34 9.745 11.411 1.100 1.00 0.00 O ATOM 432 OD2 ASP A 34 8.946 12.821 -0.321 1.00 0.00 O ATOM 0 H ASP A 34 5.168 11.618 1.798 1.00 0.00 H new ATOM 0 HA ASP A 34 7.170 10.076 0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.759 12.661 0.833 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.555 12.375 2.368 1.00 0.00 H new ATOM 437 N LYS A 35 7.037 9.550 3.540 1.00 0.00 N ATOM 438 CA LYS A 35 7.668 8.744 4.629 1.00 0.00 C ATOM 439 C LYS A 35 6.970 7.397 4.726 1.00 0.00 C ATOM 440 O LYS A 35 7.589 6.365 4.882 1.00 0.00 O ATOM 441 CB LYS A 35 7.441 9.540 5.909 1.00 0.00 C ATOM 442 CG LYS A 35 7.691 11.018 5.641 1.00 0.00 C ATOM 443 CD LYS A 35 7.569 11.791 6.954 1.00 0.00 C ATOM 444 CE LYS A 35 7.065 13.208 6.678 1.00 0.00 C ATOM 445 NZ LYS A 35 8.289 14.003 6.380 1.00 0.00 N ATOM 0 H LYS A 35 6.107 9.912 3.751 1.00 0.00 H new ATOM 0 HA LYS A 35 8.728 8.564 4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.422 9.392 6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.108 9.184 6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.683 11.160 5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.972 11.395 4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.883 11.276 7.627 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.537 11.831 7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.371 13.223 5.838 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.532 13.612 7.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.023 14.988 6.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.928 13.977 7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.772 13.600 5.552 1.00 0.00 H new ATOM 459 N VAL A 36 5.677 7.406 4.632 1.00 0.00 N ATOM 460 CA VAL A 36 4.922 6.132 4.710 1.00 0.00 C ATOM 461 C VAL A 36 5.090 5.350 3.410 1.00 0.00 C ATOM 462 O VAL A 36 5.148 4.137 3.404 1.00 0.00 O ATOM 463 CB VAL A 36 3.467 6.539 4.877 1.00 0.00 C ATOM 464 CG1 VAL A 36 2.604 5.280 4.962 1.00 0.00 C ATOM 465 CG2 VAL A 36 3.310 7.376 6.149 1.00 0.00 C ATOM 0 H VAL A 36 5.107 8.242 4.504 1.00 0.00 H new ATOM 0 HA VAL A 36 5.270 5.500 5.527 1.00 0.00 H new ATOM 0 HB VAL A 36 3.148 7.137 4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.558 5.563 5.082 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.720 4.697 4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.918 4.681 5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.266 7.667 6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.623 6.788 7.012 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.929 8.270 6.075 1.00 0.00 H new ATOM 475 N LYS A 37 5.158 6.039 2.302 1.00 0.00 N ATOM 476 CA LYS A 37 5.308 5.328 1.002 1.00 0.00 C ATOM 477 C LYS A 37 6.443 4.306 1.086 1.00 0.00 C ATOM 478 O LYS A 37 6.236 3.139 0.821 1.00 0.00 O ATOM 479 CB LYS A 37 5.624 6.412 -0.033 1.00 0.00 C ATOM 480 CG LYS A 37 6.172 5.758 -1.302 1.00 0.00 C ATOM 481 CD LYS A 37 6.411 6.827 -2.369 1.00 0.00 C ATOM 482 CE LYS A 37 6.202 6.216 -3.758 1.00 0.00 C ATOM 483 NZ LYS A 37 4.736 5.980 -3.857 1.00 0.00 N ATOM 0 H LYS A 37 5.116 7.056 2.242 1.00 0.00 H new ATOM 0 HA LYS A 37 4.406 4.778 0.734 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.725 6.983 -0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.353 7.115 0.371 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.103 5.236 -1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.468 5.012 -1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.728 7.663 -2.221 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.423 7.223 -2.282 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.547 6.890 -4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.760 5.286 -3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.556 4.964 -3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.273 6.304 -2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.354 6.507 -4.668 1.00 0.00 H new ATOM 497 N PRO A 38 7.608 4.764 1.472 1.00 0.00 N ATOM 498 CA PRO A 38 8.768 3.848 1.601 1.00 0.00 C ATOM 499 C PRO A 38 8.487 2.846 2.712 1.00 0.00 C ATOM 500 O PRO A 38 8.930 1.714 2.684 1.00 0.00 O ATOM 501 CB PRO A 38 9.926 4.780 1.955 1.00 0.00 C ATOM 502 CG PRO A 38 9.276 5.985 2.550 1.00 0.00 C ATOM 503 CD PRO A 38 7.960 6.144 1.836 1.00 0.00 C ATOM 0 HA PRO A 38 8.982 3.265 0.705 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.610 4.310 2.661 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.509 5.040 1.071 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.125 5.857 3.622 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.900 6.869 2.419 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.205 6.596 2.479 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.053 6.781 0.957 1.00 0.00 H new ATOM 511 N VAL A 39 7.730 3.262 3.681 1.00 0.00 N ATOM 512 CA VAL A 39 7.375 2.358 4.807 1.00 0.00 C ATOM 513 C VAL A 39 6.302 1.369 4.356 1.00 0.00 C ATOM 514 O VAL A 39 5.991 0.417 5.043 1.00 0.00 O ATOM 515 CB VAL A 39 6.832 3.297 5.882 1.00 0.00 C ATOM 516 CG1 VAL A 39 5.936 2.528 6.850 1.00 0.00 C ATOM 517 CG2 VAL A 39 7.991 3.930 6.648 1.00 0.00 C ATOM 0 H VAL A 39 7.336 4.201 3.744 1.00 0.00 H new ATOM 0 HA VAL A 39 8.217 1.766 5.165 1.00 0.00 H new ATOM 0 HB VAL A 39 6.245 4.080 5.402 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.555 3.208 7.612 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.100 2.091 6.303 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.512 1.735 7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.599 4.599 7.414 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.586 3.148 7.120 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.617 4.496 5.958 1.00 0.00 H new ATOM 527 N LEU A 40 5.737 1.583 3.207 1.00 0.00 N ATOM 528 CA LEU A 40 4.703 0.642 2.706 1.00 0.00 C ATOM 529 C LEU A 40 5.349 -0.284 1.676 1.00 0.00 C ATOM 530 O LEU A 40 4.823 -1.324 1.335 1.00 0.00 O ATOM 531 CB LEU A 40 3.633 1.523 2.063 1.00 0.00 C ATOM 532 CG LEU A 40 2.850 2.251 3.158 1.00 0.00 C ATOM 533 CD1 LEU A 40 1.835 3.198 2.518 1.00 0.00 C ATOM 534 CD2 LEU A 40 2.109 1.234 4.027 1.00 0.00 C ATOM 0 H LEU A 40 5.946 2.369 2.591 1.00 0.00 H new ATOM 0 HA LEU A 40 4.271 0.018 3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.096 2.245 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.958 0.914 1.461 1.00 0.00 H new ATOM 0 HG LEU A 40 3.545 2.820 3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.278 3.716 3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.358 3.928 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.144 2.626 1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.553 1.757 4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.417 0.662 3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.828 0.557 4.488 1.00 0.00 H new ATOM 546 N LEU A 41 6.503 0.089 1.190 1.00 0.00 N ATOM 547 CA LEU A 41 7.209 -0.755 0.192 1.00 0.00 C ATOM 548 C LEU A 41 8.069 -1.785 0.912 1.00 0.00 C ATOM 549 O LEU A 41 8.133 -2.934 0.520 1.00 0.00 O ATOM 550 CB LEU A 41 8.082 0.216 -0.592 1.00 0.00 C ATOM 551 CG LEU A 41 7.207 1.324 -1.167 1.00 0.00 C ATOM 552 CD1 LEU A 41 8.043 2.592 -1.312 1.00 0.00 C ATOM 553 CD2 LEU A 41 6.680 0.893 -2.535 1.00 0.00 C ATOM 0 H LEU A 41 6.988 0.949 1.446 1.00 0.00 H new ATOM 0 HA LEU A 41 6.525 -1.301 -0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.848 0.641 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.600 -0.309 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 41 6.365 1.517 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.425 3.390 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.421 2.892 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.881 2.401 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.054 1.683 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.519 0.706 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.091 -0.018 -2.428 1.00 0.00 H new ATOM 565 N ASN A 42 8.724 -1.394 1.972 1.00 0.00 N ATOM 566 CA ASN A 42 9.556 -2.381 2.702 1.00 0.00 C ATOM 567 C ASN A 42 8.703 -3.614 3.025 1.00 0.00 C ATOM 568 O ASN A 42 9.209 -4.692 3.265 1.00 0.00 O ATOM 569 CB ASN A 42 10.004 -1.669 3.982 1.00 0.00 C ATOM 570 CG ASN A 42 8.847 -1.636 4.981 1.00 0.00 C ATOM 571 OD1 ASN A 42 8.994 -2.055 6.112 1.00 0.00 O ATOM 572 ND2 ASN A 42 7.694 -1.153 4.611 1.00 0.00 N ATOM 0 H ASN A 42 8.718 -0.449 2.356 1.00 0.00 H new ATOM 0 HA ASN A 42 10.416 -2.721 2.125 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.859 -2.186 4.417 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.328 -0.654 3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.916 -1.127 5.271 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.569 -0.801 3.662 1.00 0.00 H new ATOM 579 N SER A 43 7.403 -3.452 3.021 1.00 0.00 N ATOM 580 CA SER A 43 6.494 -4.600 3.312 1.00 0.00 C ATOM 581 C SER A 43 6.587 -5.642 2.192 1.00 0.00 C ATOM 582 O SER A 43 6.011 -6.709 2.274 1.00 0.00 O ATOM 583 CB SER A 43 5.094 -3.990 3.354 1.00 0.00 C ATOM 584 OG SER A 43 5.198 -2.587 3.557 1.00 0.00 O ATOM 0 H SER A 43 6.931 -2.569 2.827 1.00 0.00 H new ATOM 0 HA SER A 43 6.750 -5.106 4.243 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.567 -4.196 2.422 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.512 -4.443 4.156 1.00 0.00 H new ATOM 0 HG SER A 43 4.688 -2.118 2.864 1.00 0.00 H new ATOM 590 N LYS A 44 7.306 -5.336 1.142 1.00 0.00 N ATOM 591 CA LYS A 44 7.437 -6.297 0.007 1.00 0.00 C ATOM 592 C LYS A 44 6.125 -6.363 -0.775 1.00 0.00 C ATOM 593 O LYS A 44 5.944 -7.201 -1.635 1.00 0.00 O ATOM 594 CB LYS A 44 7.753 -7.651 0.647 1.00 0.00 C ATOM 595 CG LYS A 44 8.840 -8.358 -0.166 1.00 0.00 C ATOM 596 CD LYS A 44 8.380 -9.778 -0.503 1.00 0.00 C ATOM 597 CE LYS A 44 7.330 -9.724 -1.613 1.00 0.00 C ATOM 598 NZ LYS A 44 7.309 -11.098 -2.187 1.00 0.00 N ATOM 0 H LYS A 44 7.810 -4.457 1.022 1.00 0.00 H new ATOM 0 HA LYS A 44 8.215 -5.998 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.086 -7.510 1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.854 -8.266 0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.044 -7.803 -1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.770 -8.390 0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.230 -10.381 -0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.963 -10.257 0.383 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.353 -9.445 -1.219 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.592 -8.984 -2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.611 -11.142 -2.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.251 -11.333 -2.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.050 -11.780 -1.446 1.00 0.00 H new ATOM 612 N LEU A 45 5.207 -5.482 -0.483 1.00 0.00 N ATOM 613 CA LEU A 45 3.907 -5.491 -1.211 1.00 0.00 C ATOM 614 C LEU A 45 3.975 -4.572 -2.430 1.00 0.00 C ATOM 615 O LEU A 45 4.776 -3.661 -2.478 1.00 0.00 O ATOM 616 CB LEU A 45 2.885 -4.952 -0.210 1.00 0.00 C ATOM 617 CG LEU A 45 2.357 -6.091 0.662 1.00 0.00 C ATOM 618 CD1 LEU A 45 1.371 -5.523 1.686 1.00 0.00 C ATOM 619 CD2 LEU A 45 1.642 -7.127 -0.214 1.00 0.00 C ATOM 0 H LEU A 45 5.301 -4.757 0.228 1.00 0.00 H new ATOM 0 HA LEU A 45 3.649 -6.487 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.345 -4.187 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.060 -4.476 -0.740 1.00 0.00 H new ATOM 0 HG LEU A 45 3.190 -6.571 1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.990 -6.331 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.879 -4.788 2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.541 -5.045 1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.268 -7.937 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.808 -6.653 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.342 -7.529 -0.947 1.00 0.00 H new ATOM 631 N PRO A 46 3.116 -4.840 -3.371 1.00 0.00 N ATOM 632 CA PRO A 46 3.061 -4.022 -4.599 1.00 0.00 C ATOM 633 C PRO A 46 2.407 -2.669 -4.304 1.00 0.00 C ATOM 634 O PRO A 46 1.772 -2.484 -3.284 1.00 0.00 O ATOM 635 CB PRO A 46 2.206 -4.855 -5.548 1.00 0.00 C ATOM 636 CG PRO A 46 1.369 -5.723 -4.667 1.00 0.00 C ATOM 637 CD PRO A 46 2.127 -5.922 -3.380 1.00 0.00 C ATOM 0 HA PRO A 46 4.043 -3.798 -5.015 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.584 -4.219 -6.178 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.827 -5.454 -6.214 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.403 -5.257 -4.475 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.171 -6.681 -5.148 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.466 -5.863 -2.516 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.607 -6.900 -3.348 1.00 0.00 H new ATOM 645 N VAL A 47 2.562 -1.724 -5.187 1.00 0.00 N ATOM 646 CA VAL A 47 1.957 -0.381 -4.964 1.00 0.00 C ATOM 647 C VAL A 47 0.429 -0.485 -4.957 1.00 0.00 C ATOM 648 O VAL A 47 -0.263 0.455 -4.620 1.00 0.00 O ATOM 649 CB VAL A 47 2.440 0.470 -6.143 1.00 0.00 C ATOM 650 CG1 VAL A 47 1.516 1.676 -6.329 1.00 0.00 C ATOM 651 CG2 VAL A 47 3.863 0.962 -5.866 1.00 0.00 C ATOM 0 H VAL A 47 3.084 -1.824 -6.058 1.00 0.00 H new ATOM 0 HA VAL A 47 2.246 0.052 -4.007 1.00 0.00 H new ATOM 0 HB VAL A 47 2.428 -0.136 -7.049 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.866 2.276 -7.169 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.502 1.330 -6.528 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.522 2.282 -5.423 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.208 1.568 -6.704 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.870 1.563 -4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.526 0.106 -5.740 1.00 0.00 H new ATOM 661 N ASP A 48 -0.106 -1.624 -5.308 1.00 0.00 N ATOM 662 CA ASP A 48 -1.584 -1.778 -5.297 1.00 0.00 C ATOM 663 C ASP A 48 -2.041 -1.879 -3.857 1.00 0.00 C ATOM 664 O ASP A 48 -3.034 -1.303 -3.458 1.00 0.00 O ATOM 665 CB ASP A 48 -1.862 -3.076 -6.036 1.00 0.00 C ATOM 666 CG ASP A 48 -2.317 -2.765 -7.463 1.00 0.00 C ATOM 667 OD1 ASP A 48 -2.263 -1.606 -7.842 1.00 0.00 O ATOM 668 OD2 ASP A 48 -2.712 -3.691 -8.153 1.00 0.00 O ATOM 0 H ASP A 48 0.417 -2.450 -5.600 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.105 -0.942 -5.764 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.965 -3.695 -6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.631 -3.646 -5.514 1.00 0.00 H new ATOM 673 N ILE A 49 -1.296 -2.588 -3.059 1.00 0.00 N ATOM 674 CA ILE A 49 -1.665 -2.697 -1.630 1.00 0.00 C ATOM 675 C ILE A 49 -1.463 -1.330 -0.998 1.00 0.00 C ATOM 676 O ILE A 49 -2.317 -0.806 -0.309 1.00 0.00 O ATOM 677 CB ILE A 49 -0.698 -3.708 -1.014 1.00 0.00 C ATOM 678 CG1 ILE A 49 -0.568 -4.932 -1.918 1.00 0.00 C ATOM 679 CG2 ILE A 49 -1.225 -4.139 0.352 1.00 0.00 C ATOM 680 CD1 ILE A 49 -1.954 -5.412 -2.346 1.00 0.00 C ATOM 0 H ILE A 49 -0.454 -3.092 -3.335 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.697 -3.014 -1.481 1.00 0.00 H new ATOM 0 HB ILE A 49 0.282 -3.244 -0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.028 -4.684 -2.796 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.044 -5.730 -1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.539 -4.860 0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.306 -3.268 1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.207 -4.597 0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.854 -6.285 -2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.536 -5.677 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.463 -4.616 -2.890 1.00 0.00 H new ATOM 692 N LEU A 50 -0.332 -0.744 -1.260 1.00 0.00 N ATOM 693 CA LEU A 50 -0.040 0.609 -0.715 1.00 0.00 C ATOM 694 C LEU A 50 -1.054 1.597 -1.281 1.00 0.00 C ATOM 695 O LEU A 50 -1.242 2.679 -0.762 1.00 0.00 O ATOM 696 CB LEU A 50 1.374 0.951 -1.203 1.00 0.00 C ATOM 697 CG LEU A 50 2.294 -0.268 -1.073 1.00 0.00 C ATOM 698 CD1 LEU A 50 3.752 0.191 -1.078 1.00 0.00 C ATOM 699 CD2 LEU A 50 1.996 -1.008 0.235 1.00 0.00 C ATOM 0 H LEU A 50 0.409 -1.147 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.102 0.649 0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.338 1.278 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.775 1.781 -0.622 1.00 0.00 H new ATOM 0 HG LEU A 50 2.119 -0.940 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.407 -0.676 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.967 0.710 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.924 0.866 -0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.653 -1.873 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.165 -0.338 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.958 -1.339 0.237 1.00 0.00 H new ATOM 711 N GLY A 51 -1.720 1.224 -2.340 1.00 0.00 N ATOM 712 CA GLY A 51 -2.735 2.133 -2.934 1.00 0.00 C ATOM 713 C GLY A 51 -4.076 1.866 -2.258 1.00 0.00 C ATOM 714 O GLY A 51 -4.876 2.759 -2.054 1.00 0.00 O ATOM 0 H GLY A 51 -1.604 0.330 -2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.440 3.173 -2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.812 1.965 -4.008 1.00 0.00 H new ATOM 718 N ARG A 52 -4.319 0.637 -1.892 1.00 0.00 N ATOM 719 CA ARG A 52 -5.596 0.299 -1.214 1.00 0.00 C ATOM 720 C ARG A 52 -5.409 0.401 0.289 1.00 0.00 C ATOM 721 O ARG A 52 -6.110 1.126 0.966 1.00 0.00 O ATOM 722 CB ARG A 52 -5.898 -1.137 -1.621 1.00 0.00 C ATOM 723 CG ARG A 52 -7.408 -1.312 -1.747 1.00 0.00 C ATOM 724 CD ARG A 52 -7.727 -2.764 -2.096 1.00 0.00 C ATOM 725 NE ARG A 52 -6.794 -3.106 -3.206 1.00 0.00 N ATOM 726 CZ ARG A 52 -7.199 -3.041 -4.446 1.00 0.00 C ATOM 727 NH1 ARG A 52 -7.136 -1.911 -5.095 1.00 0.00 N ATOM 728 NH2 ARG A 52 -7.662 -4.107 -5.037 1.00 0.00 N ATOM 0 H ARG A 52 -3.684 -0.148 -2.035 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.409 0.970 -1.490 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.412 -1.370 -2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.500 -1.830 -0.880 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.896 -1.036 -0.812 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.798 -0.648 -2.518 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.576 -3.419 -1.238 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.766 -2.877 -2.405 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.837 -3.391 -2.997 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.770 -1.078 -4.634 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.452 -1.861 -6.063 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.708 -4.991 -4.531 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.978 -4.056 -6.005 1.00 0.00 H new ATOM 742 N VAL A 53 -4.455 -0.307 0.820 1.00 0.00 N ATOM 743 CA VAL A 53 -4.223 -0.224 2.279 1.00 0.00 C ATOM 744 C VAL A 53 -4.196 1.246 2.678 1.00 0.00 C ATOM 745 O VAL A 53 -4.989 1.697 3.478 1.00 0.00 O ATOM 746 CB VAL A 53 -2.864 -0.885 2.510 1.00 0.00 C ATOM 747 CG1 VAL A 53 -2.337 -0.511 3.896 1.00 0.00 C ATOM 748 CG2 VAL A 53 -3.030 -2.401 2.415 1.00 0.00 C ATOM 0 H VAL A 53 -3.833 -0.933 0.309 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.996 -0.715 2.870 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.154 -0.542 1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.368 -0.984 4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.228 0.571 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.039 -0.853 4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.066 -2.883 2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.737 -2.738 3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.405 -2.665 1.426 1.00 0.00 H new ATOM 758 N TRP A 54 -3.304 2.002 2.099 1.00 0.00 N ATOM 759 CA TRP A 54 -3.238 3.450 2.421 1.00 0.00 C ATOM 760 C TRP A 54 -4.639 4.052 2.371 1.00 0.00 C ATOM 761 O TRP A 54 -5.100 4.652 3.316 1.00 0.00 O ATOM 762 CB TRP A 54 -2.357 4.067 1.336 1.00 0.00 C ATOM 763 CG TRP A 54 -2.499 5.554 1.381 1.00 0.00 C ATOM 764 CD1 TRP A 54 -3.548 6.250 0.884 1.00 0.00 C ATOM 765 CD2 TRP A 54 -1.589 6.537 1.953 1.00 0.00 C ATOM 766 NE1 TRP A 54 -3.340 7.596 1.116 1.00 0.00 N ATOM 767 CE2 TRP A 54 -2.146 7.824 1.770 1.00 0.00 C ATOM 768 CE3 TRP A 54 -0.348 6.438 2.605 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -1.495 8.973 2.219 1.00 0.00 C ATOM 770 CZ3 TRP A 54 0.311 7.592 3.059 1.00 0.00 C ATOM 771 CH2 TRP A 54 -0.262 8.857 2.865 1.00 0.00 C ATOM 0 H TRP A 54 -2.619 1.677 1.417 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.837 3.634 3.418 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.316 3.783 1.490 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.648 3.691 0.355 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.407 5.823 0.387 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.990 8.332 0.838 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.102 5.468 2.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.941 9.945 2.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.264 7.505 3.560 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.250 9.741 3.215 1.00 0.00 H new ATOM 782 N GLU A 55 -5.322 3.892 1.274 1.00 0.00 N ATOM 783 CA GLU A 55 -6.697 4.457 1.172 1.00 0.00 C ATOM 784 C GLU A 55 -7.503 4.101 2.421 1.00 0.00 C ATOM 785 O GLU A 55 -8.082 4.955 3.063 1.00 0.00 O ATOM 786 CB GLU A 55 -7.309 3.810 -0.068 1.00 0.00 C ATOM 787 CG GLU A 55 -6.731 4.464 -1.323 1.00 0.00 C ATOM 788 CD GLU A 55 -7.328 5.862 -1.488 1.00 0.00 C ATOM 789 OE1 GLU A 55 -7.864 6.374 -0.519 1.00 0.00 O ATOM 790 OE2 GLU A 55 -7.238 6.399 -2.581 1.00 0.00 O ATOM 0 H GLU A 55 -4.991 3.397 0.446 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.691 5.544 1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.100 2.740 -0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.393 3.923 -0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.645 4.527 -1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.954 3.855 -2.199 1.00 0.00 H new ATOM 797 N LEU A 56 -7.540 2.849 2.773 1.00 0.00 N ATOM 798 CA LEU A 56 -8.302 2.442 3.986 1.00 0.00 C ATOM 799 C LEU A 56 -7.525 2.853 5.246 1.00 0.00 C ATOM 800 O LEU A 56 -8.017 2.756 6.353 1.00 0.00 O ATOM 801 CB LEU A 56 -8.428 0.917 3.887 1.00 0.00 C ATOM 802 CG LEU A 56 -9.102 0.540 2.561 1.00 0.00 C ATOM 803 CD1 LEU A 56 -8.419 -0.697 1.974 1.00 0.00 C ATOM 804 CD2 LEU A 56 -10.584 0.234 2.806 1.00 0.00 C ATOM 0 H LEU A 56 -7.076 2.089 2.275 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.281 2.917 4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.442 0.456 3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.012 0.535 4.725 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.013 1.372 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.898 -0.965 1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.365 -0.481 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.506 -1.528 2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.061 -0.034 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.673 -0.597 3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.073 1.114 3.223 1.00 0.00 H new ATOM 816 N SER A 57 -6.315 3.321 5.076 1.00 0.00 N ATOM 817 CA SER A 57 -5.494 3.755 6.248 1.00 0.00 C ATOM 818 C SER A 57 -5.528 5.280 6.384 1.00 0.00 C ATOM 819 O SER A 57 -5.535 5.819 7.474 1.00 0.00 O ATOM 820 CB SER A 57 -4.078 3.280 5.935 1.00 0.00 C ATOM 821 OG SER A 57 -3.225 4.404 5.754 1.00 0.00 O ATOM 0 H SER A 57 -5.857 3.422 4.170 1.00 0.00 H new ATOM 0 HA SER A 57 -5.866 3.344 7.186 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.706 2.656 6.747 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.081 2.665 5.035 1.00 0.00 H new ATOM 0 HG SER A 57 -3.392 4.803 4.875 1.00 0.00 H new ATOM 827 N ASP A 58 -5.545 5.975 5.282 1.00 0.00 N ATOM 828 CA ASP A 58 -5.575 7.464 5.331 1.00 0.00 C ATOM 829 C ASP A 58 -6.996 7.935 5.618 1.00 0.00 C ATOM 830 O ASP A 58 -7.678 8.453 4.756 1.00 0.00 O ATOM 831 CB ASP A 58 -5.124 7.917 3.943 1.00 0.00 C ATOM 832 CG ASP A 58 -4.698 9.386 3.997 1.00 0.00 C ATOM 833 OD1 ASP A 58 -4.743 9.955 5.076 1.00 0.00 O ATOM 834 OD2 ASP A 58 -4.337 9.915 2.960 1.00 0.00 O ATOM 0 H ASP A 58 -5.539 5.574 4.344 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.935 7.873 6.113 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.294 7.299 3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.935 7.789 3.226 1.00 0.00 H new ATOM 839 N ILE A 59 -7.449 7.743 6.823 1.00 0.00 N ATOM 840 CA ILE A 59 -8.830 8.161 7.180 1.00 0.00 C ATOM 841 C ILE A 59 -9.168 9.510 6.541 1.00 0.00 C ATOM 842 O ILE A 59 -10.295 9.762 6.164 1.00 0.00 O ATOM 843 CB ILE A 59 -8.825 8.275 8.703 1.00 0.00 C ATOM 844 CG1 ILE A 59 -8.540 6.902 9.321 1.00 0.00 C ATOM 845 CG2 ILE A 59 -10.187 8.778 9.174 1.00 0.00 C ATOM 846 CD1 ILE A 59 -9.548 5.881 8.792 1.00 0.00 C ATOM 0 H ILE A 59 -6.919 7.312 7.580 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.577 7.452 6.823 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.050 8.975 9.015 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.526 6.586 9.078 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.603 6.961 10.408 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.188 8.861 10.261 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.385 9.756 8.735 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -10.961 8.077 8.863 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.343 4.905 9.233 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.557 6.195 9.058 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.463 5.814 7.707 1.00 0.00 H new ATOM 858 N ASP A 60 -8.203 10.376 6.410 1.00 0.00 N ATOM 859 CA ASP A 60 -8.480 11.703 5.790 1.00 0.00 C ATOM 860 C ASP A 60 -8.189 11.648 4.281 1.00 0.00 C ATOM 861 O ASP A 60 -8.784 12.363 3.500 1.00 0.00 O ATOM 862 CB ASP A 60 -7.574 12.693 6.549 1.00 0.00 C ATOM 863 CG ASP A 60 -6.363 13.110 5.710 1.00 0.00 C ATOM 864 OD1 ASP A 60 -5.810 12.261 5.034 1.00 0.00 O ATOM 865 OD2 ASP A 60 -6.006 14.274 5.768 1.00 0.00 O ATOM 0 H ASP A 60 -7.238 10.224 6.704 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.523 12.010 5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.150 13.577 6.822 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.233 12.236 7.478 1.00 0.00 H new ATOM 870 N HIS A 61 -7.294 10.790 3.867 1.00 0.00 N ATOM 871 CA HIS A 61 -6.985 10.668 2.409 1.00 0.00 C ATOM 872 C HIS A 61 -6.365 11.961 1.876 1.00 0.00 C ATOM 873 O HIS A 61 -6.736 12.447 0.826 1.00 0.00 O ATOM 874 CB HIS A 61 -8.332 10.407 1.724 1.00 0.00 C ATOM 875 CG HIS A 61 -9.194 9.523 2.587 1.00 0.00 C ATOM 876 ND1 HIS A 61 -9.010 8.152 2.660 1.00 0.00 N ATOM 877 CD2 HIS A 61 -10.247 9.805 3.422 1.00 0.00 C ATOM 878 CE1 HIS A 61 -9.931 7.663 3.510 1.00 0.00 C ATOM 879 NE2 HIS A 61 -10.710 8.629 4.004 1.00 0.00 N ATOM 0 H HIS A 61 -6.762 10.167 4.475 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.268 9.870 2.219 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.842 11.352 1.536 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.170 9.934 0.755 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -10.654 10.790 3.600 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -10.029 6.617 3.762 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -11.479 8.527 4.666 1.00 0.00 H new ATOM 887 N ASP A 62 -5.429 12.523 2.584 1.00 0.00 N ATOM 888 CA ASP A 62 -4.797 13.786 2.104 1.00 0.00 C ATOM 889 C ASP A 62 -3.324 13.555 1.744 1.00 0.00 C ATOM 890 O ASP A 62 -2.535 14.477 1.698 1.00 0.00 O ATOM 891 CB ASP A 62 -4.934 14.760 3.277 1.00 0.00 C ATOM 892 CG ASP A 62 -3.841 14.491 4.318 1.00 0.00 C ATOM 893 OD1 ASP A 62 -3.793 13.385 4.828 1.00 0.00 O ATOM 894 OD2 ASP A 62 -3.074 15.401 4.590 1.00 0.00 O ATOM 0 H ASP A 62 -5.073 12.167 3.471 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.271 14.169 1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.860 15.786 2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.917 14.653 3.735 1.00 0.00 H new ATOM 899 N GLY A 63 -2.948 12.331 1.491 1.00 0.00 N ATOM 900 CA GLY A 63 -1.529 12.046 1.137 1.00 0.00 C ATOM 901 C GLY A 63 -0.713 11.891 2.419 1.00 0.00 C ATOM 902 O GLY A 63 0.481 11.667 2.386 1.00 0.00 O ATOM 0 H GLY A 63 -3.562 11.517 1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.466 11.136 0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.124 12.855 0.529 1.00 0.00 H new ATOM 906 N MET A 64 -1.349 12.011 3.552 1.00 0.00 N ATOM 907 CA MET A 64 -0.618 11.874 4.835 1.00 0.00 C ATOM 908 C MET A 64 -1.354 10.908 5.765 1.00 0.00 C ATOM 909 O MET A 64 -2.527 10.642 5.596 1.00 0.00 O ATOM 910 CB MET A 64 -0.601 13.284 5.419 1.00 0.00 C ATOM 911 CG MET A 64 0.757 13.918 5.153 1.00 0.00 C ATOM 912 SD MET A 64 0.758 15.640 5.694 1.00 0.00 S ATOM 913 CE MET A 64 2.534 15.746 6.014 1.00 0.00 C ATOM 0 H MET A 64 -2.348 12.199 3.641 1.00 0.00 H new ATOM 0 HA MET A 64 0.387 11.473 4.704 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.391 13.886 4.971 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.796 13.249 6.491 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.534 13.364 5.679 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.990 13.863 4.090 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.720 16.489 6.789 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.902 14.775 6.346 1.00 0.00 H new ATOM 0 HE3 MET A 64 3.052 16.037 5.100 1.00 0.00 H new ATOM 923 N LEU A 65 -0.673 10.377 6.742 1.00 0.00 N ATOM 924 CA LEU A 65 -1.336 9.423 7.676 1.00 0.00 C ATOM 925 C LEU A 65 -1.132 9.863 9.127 1.00 0.00 C ATOM 926 O LEU A 65 -0.029 9.854 9.636 1.00 0.00 O ATOM 927 CB LEU A 65 -0.636 8.082 7.444 1.00 0.00 C ATOM 928 CG LEU A 65 -1.228 7.373 6.227 1.00 0.00 C ATOM 929 CD1 LEU A 65 -0.415 6.108 5.946 1.00 0.00 C ATOM 930 CD2 LEU A 65 -2.683 6.987 6.508 1.00 0.00 C ATOM 0 H LEU A 65 0.312 10.561 6.934 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.410 9.370 7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.432 8.243 7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.743 7.452 8.327 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.194 8.039 5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.830 5.594 5.079 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.622 6.379 5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.457 5.448 6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.100 6.482 5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.723 6.319 7.368 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.263 7.885 6.719 1.00 0.00 H new ATOM 942 N ASP A 66 -2.184 10.230 9.804 1.00 0.00 N ATOM 943 CA ASP A 66 -2.033 10.647 11.224 1.00 0.00 C ATOM 944 C ASP A 66 -1.681 9.427 12.077 1.00 0.00 C ATOM 945 O ASP A 66 -1.682 8.308 11.603 1.00 0.00 O ATOM 946 CB ASP A 66 -3.397 11.205 11.627 1.00 0.00 C ATOM 947 CG ASP A 66 -3.264 12.002 12.925 1.00 0.00 C ATOM 948 OD1 ASP A 66 -2.902 11.409 13.925 1.00 0.00 O ATOM 949 OD2 ASP A 66 -3.530 13.190 12.898 1.00 0.00 O ATOM 0 H ASP A 66 -3.136 10.259 9.438 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.242 11.384 11.362 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.788 11.844 10.835 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.109 10.391 11.760 1.00 0.00 H new ATOM 954 N ARG A 67 -1.374 9.630 13.325 1.00 0.00 N ATOM 955 CA ARG A 67 -1.014 8.474 14.198 1.00 0.00 C ATOM 956 C ARG A 67 -2.124 7.421 14.189 1.00 0.00 C ATOM 957 O ARG A 67 -1.868 6.239 14.314 1.00 0.00 O ATOM 958 CB ARG A 67 -0.846 9.060 15.598 1.00 0.00 C ATOM 959 CG ARG A 67 -1.974 10.048 15.890 1.00 0.00 C ATOM 960 CD ARG A 67 -2.283 10.038 17.388 1.00 0.00 C ATOM 961 NE ARG A 67 -3.602 10.716 17.514 1.00 0.00 N ATOM 962 CZ ARG A 67 -4.370 10.461 18.537 1.00 0.00 C ATOM 963 NH1 ARG A 67 -3.928 10.663 19.749 1.00 0.00 N ATOM 964 NH2 ARG A 67 -5.577 10.003 18.350 1.00 0.00 N ATOM 0 H ARG A 67 -1.356 10.542 13.781 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.108 7.977 13.853 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.851 8.260 16.339 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.118 9.562 15.678 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.685 11.050 15.574 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.864 9.779 15.322 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.324 9.020 17.776 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.513 10.564 17.953 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.905 11.379 16.801 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.984 11.020 19.895 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.527 10.464 20.550 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.921 9.844 17.403 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.177 9.804 19.151 1.00 0.00 H new ATOM 978 N ASP A 68 -3.350 7.831 14.042 1.00 0.00 N ATOM 979 CA ASP A 68 -4.466 6.842 14.025 1.00 0.00 C ATOM 980 C ASP A 68 -4.686 6.336 12.602 1.00 0.00 C ATOM 981 O ASP A 68 -5.052 5.196 12.383 1.00 0.00 O ATOM 982 CB ASP A 68 -5.689 7.616 14.517 1.00 0.00 C ATOM 983 CG ASP A 68 -6.367 6.842 15.650 1.00 0.00 C ATOM 984 OD1 ASP A 68 -5.959 7.016 16.787 1.00 0.00 O ATOM 985 OD2 ASP A 68 -7.282 6.089 15.362 1.00 0.00 O ATOM 0 H ASP A 68 -3.630 8.806 13.933 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.262 5.971 14.648 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.390 8.604 14.867 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.390 7.767 13.696 1.00 0.00 H new ATOM 990 N GLU A 69 -4.452 7.173 11.635 1.00 0.00 N ATOM 991 CA GLU A 69 -4.635 6.741 10.222 1.00 0.00 C ATOM 992 C GLU A 69 -3.438 5.902 9.794 1.00 0.00 C ATOM 993 O GLU A 69 -3.575 4.910 9.106 1.00 0.00 O ATOM 994 CB GLU A 69 -4.705 8.032 9.414 1.00 0.00 C ATOM 995 CG GLU A 69 -5.706 8.980 10.070 1.00 0.00 C ATOM 996 CD GLU A 69 -5.860 10.239 9.215 1.00 0.00 C ATOM 997 OE1 GLU A 69 -6.401 10.130 8.126 1.00 0.00 O ATOM 998 OE2 GLU A 69 -5.435 11.292 9.663 1.00 0.00 O ATOM 0 H GLU A 69 -4.142 8.137 11.759 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.529 6.134 10.079 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.721 8.499 9.366 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.007 7.818 8.389 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.671 8.485 10.183 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.366 9.247 11.071 1.00 0.00 H new ATOM 1005 N PHE A 70 -2.265 6.285 10.211 1.00 0.00 N ATOM 1006 CA PHE A 70 -1.066 5.495 9.840 1.00 0.00 C ATOM 1007 C PHE A 70 -1.158 4.122 10.496 1.00 0.00 C ATOM 1008 O PHE A 70 -0.636 3.149 9.998 1.00 0.00 O ATOM 1009 CB PHE A 70 0.125 6.275 10.395 1.00 0.00 C ATOM 1010 CG PHE A 70 1.394 5.549 10.034 1.00 0.00 C ATOM 1011 CD1 PHE A 70 1.906 4.570 10.893 1.00 0.00 C ATOM 1012 CD2 PHE A 70 2.053 5.848 8.838 1.00 0.00 C ATOM 1013 CE1 PHE A 70 3.079 3.890 10.554 1.00 0.00 C ATOM 1014 CE2 PHE A 70 3.226 5.166 8.499 1.00 0.00 C ATOM 1015 CZ PHE A 70 3.739 4.189 9.356 1.00 0.00 C ATOM 0 H PHE A 70 -2.088 7.106 10.789 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.974 5.348 8.764 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.139 7.285 9.985 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.041 6.372 11.477 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.395 4.340 11.817 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.657 6.605 8.177 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.476 3.134 11.216 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.735 5.395 7.575 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.646 3.664 9.094 1.00 0.00 H new ATOM 1025 N ALA A 71 -1.838 4.039 11.609 1.00 0.00 N ATOM 1026 CA ALA A 71 -1.979 2.725 12.299 1.00 0.00 C ATOM 1027 C ALA A 71 -2.767 1.762 11.415 1.00 0.00 C ATOM 1028 O ALA A 71 -2.408 0.613 11.240 1.00 0.00 O ATOM 1029 CB ALA A 71 -2.761 3.036 13.574 1.00 0.00 C ATOM 0 H ALA A 71 -2.301 4.823 12.069 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.018 2.258 12.513 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.909 2.118 14.143 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.203 3.751 14.178 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.730 3.461 13.312 1.00 0.00 H new ATOM 1035 N VAL A 72 -3.841 2.237 10.858 1.00 0.00 N ATOM 1036 CA VAL A 72 -4.680 1.381 9.975 1.00 0.00 C ATOM 1037 C VAL A 72 -3.875 0.917 8.759 1.00 0.00 C ATOM 1038 O VAL A 72 -4.221 -0.043 8.102 1.00 0.00 O ATOM 1039 CB VAL A 72 -5.816 2.303 9.539 1.00 0.00 C ATOM 1040 CG1 VAL A 72 -6.812 1.532 8.670 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -6.528 2.850 10.780 1.00 0.00 C ATOM 0 H VAL A 72 -4.179 3.192 10.977 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.035 0.480 10.476 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.407 3.129 8.958 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.619 2.198 8.364 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.303 1.148 7.786 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.225 0.700 9.241 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.340 3.509 10.473 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.933 2.022 11.362 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.818 3.409 11.390 1.00 0.00 H new ATOM 1051 N ALA A 73 -2.811 1.605 8.445 1.00 0.00 N ATOM 1052 CA ALA A 73 -1.996 1.219 7.257 1.00 0.00 C ATOM 1053 C ALA A 73 -0.889 0.228 7.629 1.00 0.00 C ATOM 1054 O ALA A 73 -0.251 -0.343 6.766 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.393 2.532 6.765 1.00 0.00 C ATOM 0 H ALA A 73 -2.471 2.417 8.959 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.600 0.720 6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.774 2.342 5.888 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.193 3.224 6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.780 2.969 7.554 1.00 0.00 H new ATOM 1061 N MET A 74 -0.639 0.017 8.891 1.00 0.00 N ATOM 1062 CA MET A 74 0.444 -0.942 9.263 1.00 0.00 C ATOM 1063 C MET A 74 -0.116 -2.355 9.383 1.00 0.00 C ATOM 1064 O MET A 74 0.488 -3.308 8.932 1.00 0.00 O ATOM 1065 CB MET A 74 1.002 -0.465 10.609 1.00 0.00 C ATOM 1066 CG MET A 74 1.009 1.068 10.684 1.00 0.00 C ATOM 1067 SD MET A 74 1.551 1.786 9.105 1.00 0.00 S ATOM 1068 CE MET A 74 2.980 0.715 8.826 1.00 0.00 C ATOM 0 H MET A 74 -1.127 0.457 9.671 1.00 0.00 H new ATOM 0 HA MET A 74 1.226 -0.970 8.504 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.399 -0.871 11.422 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.015 -0.845 10.743 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.011 1.430 10.930 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.673 1.395 11.485 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.820 1.313 8.473 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.253 0.222 9.759 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.730 -0.037 8.078 1.00 0.00 H new ATOM 1078 N PHE A 75 -1.269 -2.507 9.965 1.00 0.00 N ATOM 1079 CA PHE A 75 -1.846 -3.871 10.077 1.00 0.00 C ATOM 1080 C PHE A 75 -2.468 -4.248 8.732 1.00 0.00 C ATOM 1081 O PHE A 75 -2.597 -5.406 8.398 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.882 -3.797 11.207 1.00 0.00 C ATOM 1083 CG PHE A 75 -4.241 -3.431 10.666 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -4.468 -2.150 10.156 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -5.273 -4.376 10.679 1.00 0.00 C ATOM 1086 CE1 PHE A 75 -5.729 -1.812 9.659 1.00 0.00 C ATOM 1087 CE2 PHE A 75 -6.534 -4.038 10.182 1.00 0.00 C ATOM 1088 CZ PHE A 75 -6.764 -2.756 9.671 1.00 0.00 C ATOM 0 H PHE A 75 -1.832 -1.755 10.364 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.107 -4.638 10.310 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.937 -4.757 11.720 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.569 -3.059 11.945 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.670 -1.422 10.146 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.095 -5.366 11.073 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.906 -0.822 9.265 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.331 -4.766 10.192 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.739 -2.494 9.286 1.00 0.00 H new ATOM 1098 N LEU A 76 -2.820 -3.268 7.941 1.00 0.00 N ATOM 1099 CA LEU A 76 -3.394 -3.564 6.602 1.00 0.00 C ATOM 1100 C LEU A 76 -2.265 -4.023 5.681 1.00 0.00 C ATOM 1101 O LEU A 76 -2.476 -4.731 4.715 1.00 0.00 O ATOM 1102 CB LEU A 76 -4.000 -2.247 6.117 1.00 0.00 C ATOM 1103 CG LEU A 76 -5.514 -2.275 6.332 1.00 0.00 C ATOM 1104 CD1 LEU A 76 -6.122 -0.953 5.862 1.00 0.00 C ATOM 1105 CD2 LEU A 76 -6.118 -3.430 5.528 1.00 0.00 C ATOM 0 H LEU A 76 -2.734 -2.277 8.167 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.148 -4.351 6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.560 -1.410 6.659 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.774 -2.097 5.061 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.729 -2.415 7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.201 -0.974 6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.690 -0.131 6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.909 -0.811 4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.197 -3.453 5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.903 -3.288 4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.685 -4.372 5.863 1.00 0.00 H new ATOM 1117 N VAL A 77 -1.057 -3.639 5.997 1.00 0.00 N ATOM 1118 CA VAL A 77 0.106 -4.060 5.177 1.00 0.00 C ATOM 1119 C VAL A 77 0.662 -5.361 5.750 1.00 0.00 C ATOM 1120 O VAL A 77 0.718 -6.373 5.084 1.00 0.00 O ATOM 1121 CB VAL A 77 1.126 -2.920 5.320 1.00 0.00 C ATOM 1122 CG1 VAL A 77 2.468 -3.338 4.705 1.00 0.00 C ATOM 1123 CG2 VAL A 77 0.599 -1.681 4.593 1.00 0.00 C ATOM 0 H VAL A 77 -0.829 -3.047 6.796 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.144 -4.238 4.131 1.00 0.00 H new ATOM 0 HB VAL A 77 1.272 -2.697 6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.186 -2.524 4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.844 -4.223 5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.329 -3.564 3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.319 -0.868 4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.454 -1.912 3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.352 -1.379 5.032 1.00 0.00 H new ATOM 1133 N TYR A 78 1.062 -5.332 6.990 1.00 0.00 N ATOM 1134 CA TYR A 78 1.622 -6.552 7.636 1.00 0.00 C ATOM 1135 C TYR A 78 0.736 -7.779 7.387 1.00 0.00 C ATOM 1136 O TYR A 78 1.191 -8.903 7.465 1.00 0.00 O ATOM 1137 CB TYR A 78 1.662 -6.221 9.126 1.00 0.00 C ATOM 1138 CG TYR A 78 3.063 -5.814 9.510 1.00 0.00 C ATOM 1139 CD1 TYR A 78 4.131 -6.690 9.288 1.00 0.00 C ATOM 1140 CD2 TYR A 78 3.292 -4.559 10.086 1.00 0.00 C ATOM 1141 CE1 TYR A 78 5.431 -6.312 9.644 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.592 -4.180 10.442 1.00 0.00 C ATOM 1143 CZ TYR A 78 5.661 -5.056 10.221 1.00 0.00 C ATOM 1144 OH TYR A 78 6.943 -4.683 10.573 1.00 0.00 O ATOM 0 H TYR A 78 1.025 -4.508 7.589 1.00 0.00 H new ATOM 0 HA TYR A 78 2.604 -6.802 7.234 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.963 -5.415 9.350 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.349 -7.086 9.711 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.953 -7.657 8.842 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.467 -3.884 10.256 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.256 -6.988 9.474 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.770 -3.212 10.887 1.00 0.00 H new ATOM 0 HH TYR A 78 6.927 -3.782 10.959 1.00 0.00 H new ATOM 1154 N CYS A 79 -0.520 -7.584 7.094 1.00 0.00 N ATOM 1155 CA CYS A 79 -1.408 -8.756 6.850 1.00 0.00 C ATOM 1156 C CYS A 79 -1.270 -9.225 5.404 1.00 0.00 C ATOM 1157 O CYS A 79 -1.647 -10.329 5.062 1.00 0.00 O ATOM 1158 CB CYS A 79 -2.828 -8.254 7.112 1.00 0.00 C ATOM 1159 SG CYS A 79 -3.609 -9.285 8.378 1.00 0.00 S ATOM 0 H CYS A 79 -0.968 -6.671 7.013 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.154 -9.601 7.490 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.803 -7.214 7.439 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.412 -8.285 6.192 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.816 -8.857 8.603 1.00 0.00 H new ATOM 1165 N ALA A 80 -0.725 -8.401 4.553 1.00 0.00 N ATOM 1166 CA ALA A 80 -0.563 -8.808 3.135 1.00 0.00 C ATOM 1167 C ALA A 80 0.753 -9.561 2.969 1.00 0.00 C ATOM 1168 O ALA A 80 0.984 -10.223 1.976 1.00 0.00 O ATOM 1169 CB ALA A 80 -0.546 -7.502 2.344 1.00 0.00 C ATOM 0 H ALA A 80 -0.386 -7.466 4.780 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.359 -9.470 2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.429 -7.721 1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.483 -6.968 2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.286 -6.883 2.681 1.00 0.00 H new ATOM 1175 N LEU A 81 1.612 -9.478 3.947 1.00 0.00 N ATOM 1176 CA LEU A 81 2.907 -10.202 3.856 1.00 0.00 C ATOM 1177 C LEU A 81 2.713 -11.620 4.374 1.00 0.00 C ATOM 1178 O LEU A 81 3.225 -12.577 3.828 1.00 0.00 O ATOM 1179 CB LEU A 81 3.872 -9.433 4.756 1.00 0.00 C ATOM 1180 CG LEU A 81 4.176 -8.082 4.120 1.00 0.00 C ATOM 1181 CD1 LEU A 81 2.993 -7.154 4.338 1.00 0.00 C ATOM 1182 CD2 LEU A 81 5.427 -7.481 4.763 1.00 0.00 C ATOM 0 H LEU A 81 1.472 -8.941 4.803 1.00 0.00 H new ATOM 0 HA LEU A 81 3.285 -10.263 2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.434 -9.294 5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.793 -10.000 4.892 1.00 0.00 H new ATOM 0 HG LEU A 81 4.351 -8.210 3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.203 -6.185 3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.103 -7.584 3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.823 -7.026 5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.642 -6.515 4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.259 -7.348 5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.273 -8.151 4.610 1.00 0.00 H new ATOM 1194 N GLU A 82 1.962 -11.754 5.428 1.00 0.00 N ATOM 1195 CA GLU A 82 1.706 -13.100 5.999 1.00 0.00 C ATOM 1196 C GLU A 82 0.750 -13.875 5.093 1.00 0.00 C ATOM 1197 O GLU A 82 1.038 -14.973 4.662 1.00 0.00 O ATOM 1198 CB GLU A 82 1.069 -12.835 7.366 1.00 0.00 C ATOM 1199 CG GLU A 82 0.348 -14.094 7.854 1.00 0.00 C ATOM 1200 CD GLU A 82 0.327 -14.113 9.383 1.00 0.00 C ATOM 1201 OE1 GLU A 82 1.176 -13.466 9.975 1.00 0.00 O ATOM 1202 OE2 GLU A 82 -0.536 -14.773 9.936 1.00 0.00 O ATOM 0 H GLU A 82 1.512 -10.983 5.921 1.00 0.00 H new ATOM 0 HA GLU A 82 2.613 -13.698 6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.835 -12.542 8.084 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.365 -12.006 7.295 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.670 -14.116 7.466 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.852 -14.984 7.476 1.00 0.00 H new ATOM 1209 N LYS A 83 -0.387 -13.309 4.801 1.00 0.00 N ATOM 1210 CA LYS A 83 -1.358 -14.019 3.917 1.00 0.00 C ATOM 1211 C LYS A 83 -2.653 -13.211 3.735 1.00 0.00 C ATOM 1212 O LYS A 83 -3.374 -13.398 2.776 1.00 0.00 O ATOM 1213 CB LYS A 83 -1.646 -15.337 4.640 1.00 0.00 C ATOM 1214 CG LYS A 83 -2.916 -15.971 4.069 1.00 0.00 C ATOM 1215 CD LYS A 83 -3.161 -17.322 4.742 1.00 0.00 C ATOM 1216 CE LYS A 83 -3.621 -18.335 3.692 1.00 0.00 C ATOM 1217 NZ LYS A 83 -4.371 -19.369 4.461 1.00 0.00 N ATOM 0 H LYS A 83 -0.687 -12.392 5.132 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.955 -14.167 2.915 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.803 -16.019 4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.766 -15.158 5.709 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.769 -15.312 4.232 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.816 -16.103 2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.248 -17.671 5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.916 -17.221 5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.255 -17.865 2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.772 -18.772 3.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.720 -20.101 3.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.740 -19.804 5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.177 -18.925 4.946 1.00 0.00 H new ATOM 1231 N GLU A 84 -2.969 -12.339 4.653 1.00 0.00 N ATOM 1232 CA GLU A 84 -4.236 -11.555 4.527 1.00 0.00 C ATOM 1233 C GLU A 84 -4.080 -10.400 3.531 1.00 0.00 C ATOM 1234 O GLU A 84 -3.350 -9.461 3.777 1.00 0.00 O ATOM 1235 CB GLU A 84 -4.506 -11.012 5.931 1.00 0.00 C ATOM 1236 CG GLU A 84 -5.943 -11.342 6.341 1.00 0.00 C ATOM 1237 CD GLU A 84 -5.948 -12.568 7.256 1.00 0.00 C ATOM 1238 OE1 GLU A 84 -4.958 -12.779 7.938 1.00 0.00 O ATOM 1239 OE2 GLU A 84 -6.941 -13.276 7.259 1.00 0.00 O ATOM 0 H GLU A 84 -2.410 -12.134 5.481 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.053 -12.173 4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.805 -11.449 6.642 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.350 -9.933 5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.390 -10.491 6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.549 -11.534 5.456 1.00 0.00 H new ATOM 1246 N PRO A 85 -4.796 -10.498 2.443 1.00 0.00 N ATOM 1247 CA PRO A 85 -4.752 -9.436 1.412 1.00 0.00 C ATOM 1248 C PRO A 85 -5.487 -8.195 1.922 1.00 0.00 C ATOM 1249 O PRO A 85 -5.847 -8.114 3.079 1.00 0.00 O ATOM 1250 CB PRO A 85 -5.479 -10.058 0.223 1.00 0.00 C ATOM 1251 CG PRO A 85 -6.374 -11.097 0.820 1.00 0.00 C ATOM 1252 CD PRO A 85 -5.702 -11.591 2.075 1.00 0.00 C ATOM 0 HA PRO A 85 -3.742 -9.115 1.156 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.052 -9.310 -0.325 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.776 -10.500 -0.483 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -7.354 -10.677 1.047 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -6.533 -11.917 0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.427 -11.792 2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.158 -12.519 1.898 1.00 0.00 H new ATOM 1260 N VAL A 86 -5.712 -7.227 1.081 1.00 0.00 N ATOM 1261 CA VAL A 86 -6.424 -6.002 1.548 1.00 0.00 C ATOM 1262 C VAL A 86 -7.464 -5.555 0.518 1.00 0.00 C ATOM 1263 O VAL A 86 -7.151 -5.384 -0.644 1.00 0.00 O ATOM 1264 CB VAL A 86 -5.334 -4.940 1.695 1.00 0.00 C ATOM 1265 CG1 VAL A 86 -5.964 -3.624 2.156 1.00 0.00 C ATOM 1266 CG2 VAL A 86 -4.305 -5.402 2.729 1.00 0.00 C ATOM 0 H VAL A 86 -5.438 -7.228 0.099 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.960 -6.176 2.481 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.841 -4.791 0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.188 -2.866 2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.696 -3.294 1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.457 -3.774 3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.528 -4.644 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.797 -5.552 3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.856 -6.339 2.401 1.00 0.00 H new ATOM 1276 N PRO A 87 -8.670 -5.368 0.985 1.00 0.00 N ATOM 1277 CA PRO A 87 -9.762 -4.921 0.101 1.00 0.00 C ATOM 1278 C PRO A 87 -9.707 -3.401 -0.043 1.00 0.00 C ATOM 1279 O PRO A 87 -8.743 -2.768 0.337 1.00 0.00 O ATOM 1280 CB PRO A 87 -11.021 -5.351 0.845 1.00 0.00 C ATOM 1281 CG PRO A 87 -10.631 -5.424 2.290 1.00 0.00 C ATOM 1282 CD PRO A 87 -9.126 -5.552 2.365 1.00 0.00 C ATOM 0 HA PRO A 87 -9.712 -5.336 -0.906 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -11.829 -4.636 0.693 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.378 -6.316 0.486 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -10.964 -4.531 2.820 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -11.110 -6.277 2.771 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.697 -4.801 3.028 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.830 -6.526 2.754 1.00 0.00 H new ATOM 1290 N MET A 88 -10.730 -2.808 -0.579 1.00 0.00 N ATOM 1291 CA MET A 88 -10.723 -1.323 -0.737 1.00 0.00 C ATOM 1292 C MET A 88 -11.846 -0.699 0.073 1.00 0.00 C ATOM 1293 O MET A 88 -12.159 0.464 -0.079 1.00 0.00 O ATOM 1294 CB MET A 88 -10.998 -1.021 -2.208 1.00 0.00 C ATOM 1295 CG MET A 88 -11.302 -2.299 -3.002 1.00 0.00 C ATOM 1296 SD MET A 88 -11.228 -1.942 -4.774 1.00 0.00 S ATOM 1297 CE MET A 88 -11.871 -3.533 -5.349 1.00 0.00 C ATOM 0 H MET A 88 -11.570 -3.279 -0.915 1.00 0.00 H new ATOM 0 HA MET A 88 -9.766 -0.924 -0.401 1.00 0.00 H new ATOM 0 HB2 MET A 88 -11.841 -0.334 -2.287 1.00 0.00 H new ATOM 0 HB3 MET A 88 -10.135 -0.518 -2.644 1.00 0.00 H new ATOM 0 HG2 MET A 88 -10.583 -3.078 -2.747 1.00 0.00 H new ATOM 0 HG3 MET A 88 -12.289 -2.678 -2.738 1.00 0.00 H new ATOM 0 HE1 MET A 88 -11.913 -3.536 -6.438 1.00 0.00 H new ATOM 0 HE2 MET A 88 -11.216 -4.335 -5.008 1.00 0.00 H new ATOM 0 HE3 MET A 88 -12.872 -3.687 -4.947 1.00 0.00 H new ATOM 1307 N SER A 89 -12.486 -1.460 0.901 1.00 0.00 N ATOM 1308 CA SER A 89 -13.620 -0.890 1.669 1.00 0.00 C ATOM 1309 C SER A 89 -13.285 -0.703 3.138 1.00 0.00 C ATOM 1310 O SER A 89 -13.217 -1.643 3.900 1.00 0.00 O ATOM 1311 CB SER A 89 -14.742 -1.894 1.518 1.00 0.00 C ATOM 1312 OG SER A 89 -14.352 -3.131 2.100 1.00 0.00 O ATOM 0 H SER A 89 -12.279 -2.442 1.081 1.00 0.00 H new ATOM 0 HA SER A 89 -13.881 0.100 1.294 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.645 -1.521 2.001 1.00 0.00 H new ATOM 0 HB3 SER A 89 -14.979 -2.035 0.463 1.00 0.00 H new ATOM 0 HG SER A 89 -13.987 -2.971 2.995 1.00 0.00 H new ATOM 1318 N LEU A 90 -13.104 0.516 3.534 1.00 0.00 N ATOM 1319 CA LEU A 90 -12.801 0.799 4.967 1.00 0.00 C ATOM 1320 C LEU A 90 -13.895 0.203 5.856 1.00 0.00 C ATOM 1321 O LEU A 90 -14.997 0.711 5.903 1.00 0.00 O ATOM 1322 CB LEU A 90 -12.797 2.324 5.077 1.00 0.00 C ATOM 1323 CG LEU A 90 -11.430 2.800 5.571 1.00 0.00 C ATOM 1324 CD1 LEU A 90 -11.269 4.290 5.262 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -11.329 2.580 7.081 1.00 0.00 C ATOM 0 H LEU A 90 -13.151 1.337 2.930 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.853 0.366 5.286 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -13.019 2.769 4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -13.577 2.651 5.764 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.644 2.236 5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.295 4.631 5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -11.343 4.448 4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -12.054 4.853 5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.355 2.919 7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -12.114 3.145 7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.446 1.519 7.303 1.00 0.00 H new ATOM 1337 N PRO A 91 -13.557 -0.862 6.534 1.00 0.00 N ATOM 1338 CA PRO A 91 -14.533 -1.529 7.427 1.00 0.00 C ATOM 1339 C PRO A 91 -14.755 -0.700 8.700 1.00 0.00 C ATOM 1340 O PRO A 91 -13.873 0.005 9.149 1.00 0.00 O ATOM 1341 CB PRO A 91 -13.881 -2.875 7.732 1.00 0.00 C ATOM 1342 CG PRO A 91 -12.414 -2.663 7.526 1.00 0.00 C ATOM 1343 CD PRO A 91 -12.252 -1.536 6.534 1.00 0.00 C ATOM 0 HA PRO A 91 -15.521 -1.643 6.980 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.092 -3.191 8.753 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -14.262 -3.654 7.072 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -11.926 -2.416 8.469 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.944 -3.573 7.152 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.453 -0.856 6.831 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.998 -1.912 5.543 1.00 0.00 H new ATOM 1351 N PRO A 92 -15.949 -0.805 9.221 1.00 0.00 N ATOM 1352 CA PRO A 92 -16.338 -0.047 10.444 1.00 0.00 C ATOM 1353 C PRO A 92 -15.670 -0.610 11.699 1.00 0.00 C ATOM 1354 O PRO A 92 -15.818 -0.077 12.782 1.00 0.00 O ATOM 1355 CB PRO A 92 -17.842 -0.259 10.525 1.00 0.00 C ATOM 1356 CG PRO A 92 -18.091 -1.538 9.794 1.00 0.00 C ATOM 1357 CD PRO A 92 -17.044 -1.639 8.720 1.00 0.00 C ATOM 0 HA PRO A 92 -16.038 1.000 10.389 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -18.176 -0.324 11.560 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -18.383 0.569 10.067 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -18.031 -2.389 10.473 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -19.091 -1.546 9.360 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -16.725 -2.670 8.568 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.417 -1.277 7.762 1.00 0.00 H new ATOM 1365 N ALA A 93 -14.945 -1.678 11.572 1.00 0.00 N ATOM 1366 CA ALA A 93 -14.279 -2.266 12.770 1.00 0.00 C ATOM 1367 C ALA A 93 -12.854 -1.735 12.863 1.00 0.00 C ATOM 1368 O ALA A 93 -12.251 -1.704 13.916 1.00 0.00 O ATOM 1369 CB ALA A 93 -14.280 -3.775 12.531 1.00 0.00 C ATOM 0 H ALA A 93 -14.782 -2.172 10.695 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.785 -2.012 13.701 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.804 -4.277 13.373 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.307 -4.127 12.431 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -13.729 -3.999 11.617 1.00 0.00 H new ATOM 1375 N LEU A 94 -12.322 -1.312 11.757 1.00 0.00 N ATOM 1376 CA LEU A 94 -10.938 -0.769 11.737 1.00 0.00 C ATOM 1377 C LEU A 94 -10.995 0.762 11.783 1.00 0.00 C ATOM 1378 O LEU A 94 -10.014 1.431 12.034 1.00 0.00 O ATOM 1379 CB LEU A 94 -10.378 -1.292 10.403 1.00 0.00 C ATOM 1380 CG LEU A 94 -9.244 -0.407 9.880 1.00 0.00 C ATOM 1381 CD1 LEU A 94 -9.831 0.881 9.304 1.00 0.00 C ATOM 1382 CD2 LEU A 94 -8.270 -0.086 11.015 1.00 0.00 C ATOM 0 H LEU A 94 -12.792 -1.319 10.852 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.319 -1.070 12.582 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.013 -2.311 10.536 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -11.178 -1.334 9.664 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.702 -0.934 9.095 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.025 1.513 8.931 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -10.510 0.638 8.486 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.377 1.412 10.083 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.465 0.544 10.636 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.799 0.439 11.810 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.851 -1.012 11.408 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.146 1.321 11.541 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.272 2.806 11.565 1.00 0.00 C ATOM 1396 C VAL A 95 -12.585 3.295 12.981 1.00 0.00 C ATOM 1397 O VAL A 95 -13.407 2.723 13.669 1.00 0.00 O ATOM 1398 CB VAL A 95 -13.434 3.117 10.619 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -14.756 2.722 11.279 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.452 4.615 10.311 1.00 0.00 C ATOM 0 H VAL A 95 -13.006 0.815 11.328 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.351 3.302 11.260 1.00 0.00 H new ATOM 0 HB VAL A 95 -13.307 2.553 9.695 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -15.581 2.945 10.603 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -14.747 1.655 11.501 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -14.883 3.284 12.204 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -14.279 4.838 9.637 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.577 5.175 11.237 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -12.512 4.901 9.839 1.00 0.00 H new ATOM 1410 N PRO A 96 -11.914 4.348 13.367 1.00 0.00 N ATOM 1411 CA PRO A 96 -12.122 4.928 14.715 1.00 0.00 C ATOM 1412 C PRO A 96 -13.475 5.640 14.779 1.00 0.00 C ATOM 1413 O PRO A 96 -14.154 5.773 13.780 1.00 0.00 O ATOM 1414 CB PRO A 96 -10.974 5.924 14.858 1.00 0.00 C ATOM 1415 CG PRO A 96 -10.597 6.284 13.457 1.00 0.00 C ATOM 1416 CD PRO A 96 -10.910 5.088 12.594 1.00 0.00 C ATOM 0 HA PRO A 96 -12.130 4.182 15.510 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.283 6.804 15.422 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -10.133 5.482 15.392 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -11.154 7.158 13.121 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.539 6.537 13.396 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -11.297 5.388 11.620 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.021 4.484 12.411 1.00 0.00 H new ATOM 1424 N PRO A 97 -13.823 6.070 15.958 1.00 0.00 N ATOM 1425 CA PRO A 97 -15.114 6.773 16.161 1.00 0.00 C ATOM 1426 C PRO A 97 -15.060 8.179 15.563 1.00 0.00 C ATOM 1427 O PRO A 97 -16.033 8.906 15.573 1.00 0.00 O ATOM 1428 CB PRO A 97 -15.254 6.829 17.679 1.00 0.00 C ATOM 1429 CG PRO A 97 -13.855 6.747 18.200 1.00 0.00 C ATOM 1430 CD PRO A 97 -13.057 5.949 17.202 1.00 0.00 C ATOM 0 HA PRO A 97 -15.955 6.274 15.678 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -15.740 7.751 17.997 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -15.862 6.004 18.050 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -13.431 7.743 18.324 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.836 6.269 19.179 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -12.048 6.345 17.090 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.958 4.908 17.510 1.00 0.00 H new ATOM 1438 N SER A 98 -13.932 8.567 15.035 1.00 0.00 N ATOM 1439 CA SER A 98 -13.830 9.925 14.434 1.00 0.00 C ATOM 1440 C SER A 98 -14.334 9.893 12.993 1.00 0.00 C ATOM 1441 O SER A 98 -14.669 10.910 12.418 1.00 0.00 O ATOM 1442 CB SER A 98 -12.344 10.278 14.482 1.00 0.00 C ATOM 1443 OG SER A 98 -11.748 9.643 15.605 1.00 0.00 O ATOM 0 H SER A 98 -13.081 8.006 14.994 1.00 0.00 H new ATOM 0 HA SER A 98 -14.432 10.661 14.967 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.852 9.957 13.564 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.217 11.358 14.550 1.00 0.00 H new ATOM 0 HG SER A 98 -10.794 9.865 15.639 1.00 0.00 H new ATOM 1449 N LYS A 99 -14.408 8.730 12.410 1.00 0.00 N ATOM 1450 CA LYS A 99 -14.910 8.635 11.014 1.00 0.00 C ATOM 1451 C LYS A 99 -16.429 8.447 11.029 1.00 0.00 C ATOM 1452 O LYS A 99 -17.063 8.363 9.996 1.00 0.00 O ATOM 1453 CB LYS A 99 -14.223 7.404 10.421 1.00 0.00 C ATOM 1454 CG LYS A 99 -14.250 7.490 8.893 1.00 0.00 C ATOM 1455 CD LYS A 99 -13.272 8.569 8.423 1.00 0.00 C ATOM 1456 CE LYS A 99 -13.939 9.427 7.344 1.00 0.00 C ATOM 1457 NZ LYS A 99 -13.659 10.835 7.741 1.00 0.00 N ATOM 0 H LYS A 99 -14.143 7.844 12.839 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.697 9.531 10.432 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.194 7.344 10.774 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.728 6.497 10.754 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.981 6.527 8.460 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -15.258 7.724 8.549 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.971 9.193 9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -12.367 8.108 8.028 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.531 9.207 6.357 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.011 9.237 7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.086 11.482 7.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.065 11.018 8.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.631 10.989 7.772 1.00 0.00 H new ATOM 1471 N ARG A 100 -17.017 8.385 12.195 1.00 0.00 N ATOM 1472 CA ARG A 100 -18.496 8.205 12.269 1.00 0.00 C ATOM 1473 C ARG A 100 -19.198 9.534 11.979 1.00 0.00 C ATOM 1474 O ARG A 100 -18.601 10.590 12.053 1.00 0.00 O ATOM 1475 CB ARG A 100 -18.772 7.749 13.701 1.00 0.00 C ATOM 1476 CG ARG A 100 -18.901 6.225 13.732 1.00 0.00 C ATOM 1477 CD ARG A 100 -17.579 5.610 14.196 1.00 0.00 C ATOM 1478 NE ARG A 100 -17.458 4.337 13.434 1.00 0.00 N ATOM 1479 CZ ARG A 100 -18.087 3.269 13.843 1.00 0.00 C ATOM 1480 NH1 ARG A 100 -17.919 2.840 15.064 1.00 0.00 N ATOM 1481 NH2 ARG A 100 -18.886 2.631 13.031 1.00 0.00 N ATOM 0 H ARG A 100 -16.540 8.451 13.094 1.00 0.00 H new ATOM 0 HA ARG A 100 -18.864 7.484 11.540 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -17.964 8.070 14.359 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -19.687 8.210 14.071 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -19.707 5.931 14.405 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -19.160 5.851 12.742 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -16.740 6.275 13.989 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -17.584 5.428 15.271 1.00 0.00 H new ATOM 0 HE ARG A 100 -16.883 4.299 12.592 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -17.296 3.339 15.699 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -18.411 2.005 15.383 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -19.019 2.967 12.077 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -19.378 1.796 13.350 1.00 0.00 H new TER 1495 ARG A 100 HETATM 1496 CA CA A 107 -4.412 11.854 7.101 1.00 12.07 CA