USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 759 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 49 MET CE :methyl 147:sc= -0.385 (180deg=-1.24) USER MOD Set 1.2: A 85 TYR OH : rot 42:sc= 1.37 USER MOD Set 2.1: A 50 TYR OH : rot -117:sc= 1.91 USER MOD Set 2.2: A 59 THR OG1 : rot -179:sc= 1 USER MOD Set 2.3: A 62 GLN : amide:sc= -0.104! K(o=2.8!,f=0.066) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.41) USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= 1.29 (180deg=1.2) USER MOD Single : A 38 SER OG : rot 70:sc= 0.952 USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= -0.0124 (180deg=-0.144) USER MOD Single : A 54 ASN : amide:sc= 0.279 K(o=0.28,f=-1.4!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 64:sc= 1.25 USER MOD Single : A 65 GLN : amide:sc= -0.0976 X(o=-0.098,f=-0.27) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0549 USER MOD Single : A 76 HIS : no HD1:sc= -1.28 X(o=-1.3,f=-1) USER MOD Single : A 79 ASN : amide:sc= -0.814 X(o=-0.81,f=-0.66) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.52) USER MOD Single : A 96 SER OG : rot 97:sc= 0.87 USER MOD Single : A 98 TYR OH : rot 18:sc= 0.718 USER MOD Single : A 99 GLN : amide:sc= -0.15 K(o=-0.15,f=-0.91) USER MOD Single : A 102 SER OG : rot -155:sc= 0.861 USER MOD Single : A 105 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.14) USER MOD Single : A 106 HIS : no HD1:sc= -0.409 K(o=-0.41,f=-5!) USER MOD Single : A 108 GLN : amide:sc= -2.72! K(o=-2.7!,f=-0.16) USER MOD Single : A 113 SER OG : rot -96:sc= 0.703 USER MOD Single : A 122 SER OG : rot 61:sc= -7.77! USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 128 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 130 THR OG1 : rot -140:sc= 0.716 USER MOD ----------------------------------------------------------------- ATOM 63 N GLU A 29 19.411 -6.425 -4.666 1.00 0.00 N ATOM 64 CA GLU A 29 18.448 -5.778 -3.785 1.00 0.00 C ATOM 65 C GLU A 29 17.568 -4.816 -4.575 1.00 0.00 C ATOM 66 O GLU A 29 16.367 -4.712 -4.324 1.00 0.00 O ATOM 67 CB GLU A 29 19.172 -5.019 -2.671 1.00 0.00 C ATOM 68 CG GLU A 29 18.337 -4.844 -1.415 1.00 0.00 C ATOM 69 CD GLU A 29 18.091 -6.161 -0.706 1.00 0.00 C ATOM 70 OE1 GLU A 29 17.049 -6.794 -0.956 1.00 0.00 O ATOM 71 OE2 GLU A 29 18.955 -6.584 0.092 1.00 0.00 O ATOM 0 HA GLU A 29 17.819 -6.549 -3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 29 20.089 -5.551 -2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 29 19.465 -4.037 -3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 29 18.843 -4.157 -0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 29 17.381 -4.389 -1.676 1.00 0.00 H new ATOM 78 N LYS A 30 18.174 -4.125 -5.540 1.00 0.00 N ATOM 79 CA LYS A 30 17.445 -3.188 -6.388 1.00 0.00 C ATOM 80 C LYS A 30 16.314 -3.887 -7.133 1.00 0.00 C ATOM 81 O LYS A 30 15.216 -3.348 -7.250 1.00 0.00 O ATOM 82 CB LYS A 30 18.377 -2.505 -7.388 1.00 0.00 C ATOM 83 CG LYS A 30 19.380 -1.561 -6.745 1.00 0.00 C ATOM 84 CD LYS A 30 20.099 -0.719 -7.785 1.00 0.00 C ATOM 85 CE LYS A 30 20.921 -1.574 -8.736 1.00 0.00 C ATOM 86 NZ LYS A 30 21.534 -0.759 -9.818 1.00 0.00 N ATOM 0 H LYS A 30 19.169 -4.198 -5.753 1.00 0.00 H new ATOM 0 HA LYS A 30 17.018 -2.428 -5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.918 -3.269 -7.947 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.777 -1.948 -8.108 1.00 0.00 H new ATOM 0 HG2 LYS A 30 18.866 -0.908 -6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.109 -2.137 -6.174 1.00 0.00 H new ATOM 0 HD2 LYS A 30 19.369 -0.143 -8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.751 -0.003 -7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.705 -2.087 -8.179 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.286 -2.343 -9.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.087 -1.376 -10.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.785 -0.289 -10.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.160 -0.041 -9.400 1.00 0.00 H new ATOM 100 N ALA A 31 16.580 -5.091 -7.616 1.00 0.00 N ATOM 101 CA ALA A 31 15.583 -5.849 -8.359 1.00 0.00 C ATOM 102 C ALA A 31 14.398 -6.206 -7.467 1.00 0.00 C ATOM 103 O ALA A 31 13.239 -6.059 -7.866 1.00 0.00 O ATOM 104 CB ALA A 31 16.205 -7.107 -8.950 1.00 0.00 C ATOM 0 H ALA A 31 17.477 -5.565 -7.507 1.00 0.00 H new ATOM 0 HA ALA A 31 15.218 -5.226 -9.175 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.447 -7.663 -9.502 1.00 0.00 H new ATOM 0 HB2 ALA A 31 17.015 -6.830 -9.624 1.00 0.00 H new ATOM 0 HB3 ALA A 31 16.598 -7.730 -8.147 1.00 0.00 H new ATOM 110 N ASP A 32 14.695 -6.666 -6.257 1.00 0.00 N ATOM 111 CA ASP A 32 13.659 -7.074 -5.314 1.00 0.00 C ATOM 112 C ASP A 32 12.857 -5.886 -4.799 1.00 0.00 C ATOM 113 O ASP A 32 11.640 -5.972 -4.661 1.00 0.00 O ATOM 114 CB ASP A 32 14.253 -7.858 -4.145 1.00 0.00 C ATOM 115 CG ASP A 32 14.726 -9.234 -4.565 1.00 0.00 C ATOM 116 OD1 ASP A 32 15.948 -9.479 -4.548 1.00 0.00 O ATOM 117 OD2 ASP A 32 13.875 -10.077 -4.933 1.00 0.00 O ATOM 0 H ASP A 32 15.647 -6.766 -5.905 1.00 0.00 H new ATOM 0 HA ASP A 32 12.976 -7.726 -5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.089 -7.301 -3.723 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.506 -7.956 -3.358 1.00 0.00 H new ATOM 122 N ARG A 33 13.526 -4.776 -4.516 1.00 0.00 N ATOM 123 CA ARG A 33 12.825 -3.584 -4.051 1.00 0.00 C ATOM 124 C ARG A 33 11.915 -3.023 -5.143 1.00 0.00 C ATOM 125 O ARG A 33 10.871 -2.459 -4.847 1.00 0.00 O ATOM 126 CB ARG A 33 13.775 -2.509 -3.510 1.00 0.00 C ATOM 127 CG ARG A 33 14.857 -2.066 -4.472 1.00 0.00 C ATOM 128 CD ARG A 33 15.700 -0.955 -3.871 1.00 0.00 C ATOM 129 NE ARG A 33 14.945 0.291 -3.726 1.00 0.00 N ATOM 130 CZ ARG A 33 14.859 0.993 -2.595 1.00 0.00 C ATOM 131 NH1 ARG A 33 15.418 0.546 -1.475 1.00 0.00 N ATOM 132 NH2 ARG A 33 14.201 2.146 -2.581 1.00 0.00 N ATOM 0 H ARG A 33 14.538 -4.675 -4.598 1.00 0.00 H new ATOM 0 HA ARG A 33 12.203 -3.894 -3.212 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.187 -1.638 -3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.248 -2.887 -2.604 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.494 -2.914 -4.724 1.00 0.00 H new ATOM 0 HG3 ARG A 33 14.403 -1.721 -5.401 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.071 -1.269 -2.896 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.571 -0.779 -4.502 1.00 0.00 H new ATOM 0 HE ARG A 33 14.452 0.646 -4.545 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.919 -0.342 -1.474 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.346 1.091 -0.616 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.763 2.493 -3.434 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.134 2.684 -1.717 1.00 0.00 H new ATOM 146 N GLN A 34 12.323 -3.146 -6.403 1.00 0.00 N ATOM 147 CA GLN A 34 11.460 -2.748 -7.514 1.00 0.00 C ATOM 148 C GLN A 34 10.188 -3.600 -7.551 1.00 0.00 C ATOM 149 O GLN A 34 9.123 -3.128 -7.958 1.00 0.00 O ATOM 150 CB GLN A 34 12.202 -2.836 -8.847 1.00 0.00 C ATOM 151 CG GLN A 34 13.302 -1.796 -8.994 1.00 0.00 C ATOM 152 CD GLN A 34 12.785 -0.375 -8.861 1.00 0.00 C ATOM 153 OE1 GLN A 34 12.748 0.191 -7.766 1.00 0.00 O ATOM 154 NE2 GLN A 34 12.382 0.210 -9.975 1.00 0.00 N ATOM 0 H GLN A 34 13.234 -3.513 -6.680 1.00 0.00 H new ATOM 0 HA GLN A 34 11.172 -1.709 -7.354 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.636 -3.831 -8.948 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.487 -2.716 -9.661 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.067 -1.972 -8.238 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.781 -1.915 -9.966 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.429 -0.293 -10.861 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.024 1.165 -9.949 1.00 0.00 H new ATOM 163 N LYS A 35 10.298 -4.855 -7.120 1.00 0.00 N ATOM 164 CA LYS A 35 9.125 -5.712 -6.953 1.00 0.00 C ATOM 165 C LYS A 35 8.241 -5.130 -5.858 1.00 0.00 C ATOM 166 O LYS A 35 7.014 -5.107 -5.968 1.00 0.00 O ATOM 167 CB LYS A 35 9.540 -7.136 -6.573 1.00 0.00 C ATOM 168 CG LYS A 35 10.530 -7.769 -7.536 1.00 0.00 C ATOM 169 CD LYS A 35 11.035 -9.098 -7.001 1.00 0.00 C ATOM 170 CE LYS A 35 12.160 -9.655 -7.857 1.00 0.00 C ATOM 171 NZ LYS A 35 12.766 -10.869 -7.252 1.00 0.00 N ATOM 0 H LYS A 35 11.184 -5.300 -6.881 1.00 0.00 H new ATOM 0 HA LYS A 35 8.580 -5.754 -7.896 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.978 -7.122 -5.575 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.649 -7.761 -6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.054 -7.920 -8.505 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.371 -7.094 -7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.386 -8.969 -5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.213 -9.814 -6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.777 -9.896 -8.849 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.928 -8.893 -7.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.328 -11.371 -7.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.382 -10.592 -6.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.013 -11.495 -6.902 1.00 0.00 H new ATOM 185 N VAL A 36 8.899 -4.629 -4.822 1.00 0.00 N ATOM 186 CA VAL A 36 8.235 -3.950 -3.721 1.00 0.00 C ATOM 187 C VAL A 36 7.489 -2.719 -4.221 1.00 0.00 C ATOM 188 O VAL A 36 6.334 -2.510 -3.878 1.00 0.00 O ATOM 189 CB VAL A 36 9.260 -3.531 -2.644 1.00 0.00 C ATOM 190 CG1 VAL A 36 8.669 -2.520 -1.683 1.00 0.00 C ATOM 191 CG2 VAL A 36 9.770 -4.745 -1.890 1.00 0.00 C ATOM 0 H VAL A 36 9.913 -4.683 -4.722 1.00 0.00 H new ATOM 0 HA VAL A 36 7.520 -4.644 -3.281 1.00 0.00 H new ATOM 0 HB VAL A 36 10.100 -3.058 -3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.416 -2.246 -0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.363 -1.631 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.802 -2.955 -1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.491 -4.429 -1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.934 -5.249 -1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.252 -5.431 -2.587 1.00 0.00 H new ATOM 201 N VAL A 37 8.154 -1.922 -5.050 1.00 0.00 N ATOM 202 CA VAL A 37 7.539 -0.737 -5.641 1.00 0.00 C ATOM 203 C VAL A 37 6.300 -1.121 -6.446 1.00 0.00 C ATOM 204 O VAL A 37 5.286 -0.424 -6.422 1.00 0.00 O ATOM 205 CB VAL A 37 8.529 0.021 -6.555 1.00 0.00 C ATOM 206 CG1 VAL A 37 7.867 1.240 -7.182 1.00 0.00 C ATOM 207 CG2 VAL A 37 9.770 0.434 -5.778 1.00 0.00 C ATOM 0 H VAL A 37 9.123 -2.075 -5.329 1.00 0.00 H new ATOM 0 HA VAL A 37 7.252 -0.079 -4.821 1.00 0.00 H new ATOM 0 HB VAL A 37 8.830 -0.654 -7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.584 1.756 -7.820 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.012 0.923 -7.779 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.530 1.915 -6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.453 0.966 -6.440 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.483 1.086 -4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.264 -0.454 -5.383 1.00 0.00 H new ATOM 217 N SER A 38 6.386 -2.245 -7.144 1.00 0.00 N ATOM 218 CA SER A 38 5.272 -2.743 -7.936 1.00 0.00 C ATOM 219 C SER A 38 4.077 -3.087 -7.042 1.00 0.00 C ATOM 220 O SER A 38 2.935 -2.751 -7.355 1.00 0.00 O ATOM 221 CB SER A 38 5.718 -3.964 -8.737 1.00 0.00 C ATOM 222 OG SER A 38 6.836 -3.644 -9.557 1.00 0.00 O ATOM 0 H SER A 38 7.220 -2.831 -7.177 1.00 0.00 H new ATOM 0 HA SER A 38 4.954 -1.962 -8.627 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.979 -4.776 -8.058 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.895 -4.319 -9.357 1.00 0.00 H new ATOM 0 HG SER A 38 7.624 -3.498 -8.993 1.00 0.00 H new ATOM 228 N ASP A 39 4.338 -3.745 -5.926 1.00 0.00 N ATOM 229 CA ASP A 39 3.278 -4.058 -4.976 1.00 0.00 C ATOM 230 C ASP A 39 2.791 -2.789 -4.291 1.00 0.00 C ATOM 231 O ASP A 39 1.611 -2.646 -3.987 1.00 0.00 O ATOM 232 CB ASP A 39 3.759 -5.060 -3.930 1.00 0.00 C ATOM 233 CG ASP A 39 4.138 -6.397 -4.529 1.00 0.00 C ATOM 234 OD1 ASP A 39 3.549 -6.787 -5.561 1.00 0.00 O ATOM 235 OD2 ASP A 39 5.009 -7.082 -3.958 1.00 0.00 O ATOM 0 H ASP A 39 5.265 -4.072 -5.654 1.00 0.00 H new ATOM 0 HA ASP A 39 2.452 -4.506 -5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.620 -4.645 -3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.974 -5.209 -3.188 1.00 0.00 H new ATOM 240 N LEU A 40 3.719 -1.876 -4.055 1.00 0.00 N ATOM 241 CA LEU A 40 3.429 -0.604 -3.408 1.00 0.00 C ATOM 242 C LEU A 40 2.438 0.219 -4.228 1.00 0.00 C ATOM 243 O LEU A 40 1.485 0.777 -3.683 1.00 0.00 O ATOM 244 CB LEU A 40 4.728 0.176 -3.209 1.00 0.00 C ATOM 245 CG LEU A 40 4.614 1.462 -2.395 1.00 0.00 C ATOM 246 CD1 LEU A 40 4.222 1.154 -0.957 1.00 0.00 C ATOM 247 CD2 LEU A 40 5.926 2.225 -2.441 1.00 0.00 C ATOM 0 H LEU A 40 4.700 -1.996 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 40 2.973 -0.804 -2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.451 -0.478 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.134 0.424 -4.190 1.00 0.00 H new ATOM 0 HG LEU A 40 3.833 2.084 -2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.146 2.084 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.260 0.642 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.979 0.515 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.835 3.141 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.721 1.607 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.165 2.476 -3.475 1.00 0.00 H new ATOM 259 N VAL A 41 2.657 0.292 -5.539 1.00 0.00 N ATOM 260 CA VAL A 41 1.730 0.999 -6.415 1.00 0.00 C ATOM 261 C VAL A 41 0.373 0.301 -6.422 1.00 0.00 C ATOM 262 O VAL A 41 -0.665 0.958 -6.502 1.00 0.00 O ATOM 263 CB VAL A 41 2.255 1.173 -7.863 1.00 0.00 C ATOM 264 CG1 VAL A 41 3.581 1.911 -7.864 1.00 0.00 C ATOM 265 CG2 VAL A 41 2.388 -0.156 -8.584 1.00 0.00 C ATOM 0 H VAL A 41 3.459 -0.125 -6.012 1.00 0.00 H new ATOM 0 HA VAL A 41 1.627 2.004 -6.006 1.00 0.00 H new ATOM 0 HB VAL A 41 1.519 1.766 -8.405 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.934 2.024 -8.889 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.450 2.896 -7.415 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.313 1.345 -7.288 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.759 0.014 -9.595 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.087 -0.795 -8.044 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.414 -0.643 -8.632 1.00 0.00 H new ATOM 275 N ALA A 42 0.388 -1.030 -6.342 1.00 0.00 N ATOM 276 CA ALA A 42 -0.846 -1.803 -6.235 1.00 0.00 C ATOM 277 C ALA A 42 -1.569 -1.484 -4.927 1.00 0.00 C ATOM 278 O ALA A 42 -2.795 -1.429 -4.889 1.00 0.00 O ATOM 279 CB ALA A 42 -0.557 -3.295 -6.333 1.00 0.00 C ATOM 0 H ALA A 42 1.239 -1.592 -6.349 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.495 -1.524 -7.065 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.490 -3.852 -6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.088 -3.512 -7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.114 -3.589 -5.526 1.00 0.00 H new ATOM 285 N LEU A 43 -0.800 -1.269 -3.859 1.00 0.00 N ATOM 286 CA LEU A 43 -1.362 -0.863 -2.572 1.00 0.00 C ATOM 287 C LEU A 43 -2.090 0.465 -2.715 1.00 0.00 C ATOM 288 O LEU A 43 -3.230 0.614 -2.283 1.00 0.00 O ATOM 289 CB LEU A 43 -0.257 -0.719 -1.518 1.00 0.00 C ATOM 290 CG LEU A 43 0.428 -2.013 -1.082 1.00 0.00 C ATOM 291 CD1 LEU A 43 1.536 -1.705 -0.093 1.00 0.00 C ATOM 292 CD2 LEU A 43 -0.577 -2.968 -0.462 1.00 0.00 C ATOM 0 H LEU A 43 0.215 -1.370 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.063 -1.634 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.504 -0.043 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.684 -0.243 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 43 0.859 -2.491 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.019 -2.633 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.271 -1.051 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.115 -1.210 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.069 -3.883 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.034 -2.500 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.350 -3.207 -1.192 1.00 0.00 H new ATOM 304 N GLU A 44 -1.421 1.418 -3.347 1.00 0.00 N ATOM 305 CA GLU A 44 -1.989 2.735 -3.591 1.00 0.00 C ATOM 306 C GLU A 44 -3.203 2.607 -4.510 1.00 0.00 C ATOM 307 O GLU A 44 -4.187 3.324 -4.355 1.00 0.00 O ATOM 308 CB GLU A 44 -0.912 3.638 -4.205 1.00 0.00 C ATOM 309 CG GLU A 44 -1.182 5.135 -4.101 1.00 0.00 C ATOM 310 CD GLU A 44 -2.162 5.646 -5.138 1.00 0.00 C ATOM 311 OE1 GLU A 44 -1.884 5.498 -6.347 1.00 0.00 O ATOM 312 OE2 GLU A 44 -3.196 6.229 -4.751 1.00 0.00 O ATOM 0 H GLU A 44 -0.473 1.301 -3.704 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.323 3.184 -2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.040 3.422 -3.720 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.799 3.378 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.568 5.358 -3.106 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.240 5.674 -4.206 1.00 0.00 H new ATOM 319 N GLY A 45 -3.126 1.677 -5.456 1.00 0.00 N ATOM 320 CA GLY A 45 -4.261 1.378 -6.309 1.00 0.00 C ATOM 321 C GLY A 45 -5.443 0.862 -5.511 1.00 0.00 C ATOM 322 O GLY A 45 -6.580 1.265 -5.746 1.00 0.00 O ATOM 0 H GLY A 45 -2.292 1.122 -5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.554 2.276 -6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.972 0.635 -7.052 1.00 0.00 H new ATOM 326 N ALA A 46 -5.168 -0.023 -4.558 1.00 0.00 N ATOM 327 CA ALA A 46 -6.195 -0.539 -3.662 1.00 0.00 C ATOM 328 C ALA A 46 -6.823 0.599 -2.863 1.00 0.00 C ATOM 329 O ALA A 46 -8.044 0.675 -2.714 1.00 0.00 O ATOM 330 CB ALA A 46 -5.600 -1.582 -2.725 1.00 0.00 C ATOM 0 H ALA A 46 -4.236 -0.399 -4.386 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.974 -1.012 -4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.377 -1.960 -2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.191 -2.406 -3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.806 -1.128 -2.133 1.00 0.00 H new ATOM 336 N LEU A 47 -5.967 1.486 -2.367 1.00 0.00 N ATOM 337 CA LEU A 47 -6.398 2.665 -1.634 1.00 0.00 C ATOM 338 C LEU A 47 -7.299 3.537 -2.500 1.00 0.00 C ATOM 339 O LEU A 47 -8.382 3.949 -2.078 1.00 0.00 O ATOM 340 CB LEU A 47 -5.171 3.469 -1.190 1.00 0.00 C ATOM 341 CG LEU A 47 -4.111 2.688 -0.414 1.00 0.00 C ATOM 342 CD1 LEU A 47 -2.996 3.610 0.047 1.00 0.00 C ATOM 343 CD2 LEU A 47 -4.726 1.961 0.763 1.00 0.00 C ATOM 0 H LEU A 47 -4.955 1.405 -2.463 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.964 2.346 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.703 3.900 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.509 4.300 -0.571 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.684 1.942 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.252 3.034 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.527 4.075 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.408 4.384 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.950 1.413 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.189 2.683 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.482 1.262 0.404 1.00 0.00 H new ATOM 355 N ASP A 48 -6.838 3.804 -3.715 1.00 0.00 N ATOM 356 CA ASP A 48 -7.577 4.627 -4.662 1.00 0.00 C ATOM 357 C ASP A 48 -8.918 3.994 -5.004 1.00 0.00 C ATOM 358 O ASP A 48 -9.936 4.680 -5.074 1.00 0.00 O ATOM 359 CB ASP A 48 -6.760 4.832 -5.942 1.00 0.00 C ATOM 360 CG ASP A 48 -7.524 5.601 -7.003 1.00 0.00 C ATOM 361 OD1 ASP A 48 -8.046 4.970 -7.942 1.00 0.00 O ATOM 362 OD2 ASP A 48 -7.606 6.844 -6.903 1.00 0.00 O ATOM 0 H ASP A 48 -5.946 3.458 -4.070 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.759 5.595 -4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -5.842 5.367 -5.701 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.468 3.861 -6.342 1.00 0.00 H new ATOM 367 N MET A 49 -8.917 2.680 -5.193 1.00 0.00 N ATOM 368 CA MET A 49 -10.125 1.968 -5.582 1.00 0.00 C ATOM 369 C MET A 49 -11.140 1.909 -4.451 1.00 0.00 C ATOM 370 O MET A 49 -12.345 2.030 -4.687 1.00 0.00 O ATOM 371 CB MET A 49 -9.805 0.556 -6.079 1.00 0.00 C ATOM 372 CG MET A 49 -9.174 0.537 -7.458 1.00 0.00 C ATOM 373 SD MET A 49 -8.905 -1.136 -8.072 1.00 0.00 S ATOM 374 CE MET A 49 -10.569 -1.799 -7.982 1.00 0.00 C ATOM 0 H MET A 49 -8.094 2.088 -5.083 1.00 0.00 H new ATOM 0 HA MET A 49 -10.569 2.532 -6.402 1.00 0.00 H new ATOM 0 HB2 MET A 49 -9.131 0.073 -5.371 1.00 0.00 H new ATOM 0 HB3 MET A 49 -10.722 -0.032 -6.098 1.00 0.00 H new ATOM 0 HG2 MET A 49 -9.815 1.077 -8.155 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.222 1.066 -7.425 1.00 0.00 H new ATOM 0 HE1 MET A 49 -10.721 -2.511 -8.793 1.00 0.00 H new ATOM 0 HE2 MET A 49 -10.709 -2.303 -7.026 1.00 0.00 H new ATOM 0 HE3 MET A 49 -11.290 -0.986 -8.073 1.00 0.00 H new ATOM 384 N TYR A 50 -10.666 1.725 -3.226 1.00 0.00 N ATOM 385 CA TYR A 50 -11.558 1.690 -2.078 1.00 0.00 C ATOM 386 C TYR A 50 -12.213 3.055 -1.881 1.00 0.00 C ATOM 387 O TYR A 50 -13.418 3.147 -1.630 1.00 0.00 O ATOM 388 CB TYR A 50 -10.810 1.267 -0.810 1.00 0.00 C ATOM 389 CG TYR A 50 -11.699 1.188 0.414 1.00 0.00 C ATOM 390 CD1 TYR A 50 -11.824 2.273 1.270 1.00 0.00 C ATOM 391 CD2 TYR A 50 -12.424 0.037 0.705 1.00 0.00 C ATOM 392 CE1 TYR A 50 -12.640 2.218 2.378 1.00 0.00 C ATOM 393 CE2 TYR A 50 -13.244 -0.025 1.818 1.00 0.00 C ATOM 394 CZ TYR A 50 -13.348 1.071 2.648 1.00 0.00 C ATOM 395 OH TYR A 50 -14.167 1.026 3.750 1.00 0.00 O ATOM 0 H TYR A 50 -9.678 1.599 -3.004 1.00 0.00 H new ATOM 0 HA TYR A 50 -12.334 0.949 -2.271 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.347 0.294 -0.977 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.004 1.975 -0.619 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -11.271 3.177 1.063 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -12.346 -0.820 0.053 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -12.723 3.073 3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -13.799 -0.926 2.035 1.00 0.00 H new ATOM 0 HH TYR A 50 -13.844 0.338 4.369 1.00 0.00 H new ATOM 405 N LYS A 51 -11.420 4.114 -2.013 1.00 0.00 N ATOM 406 CA LYS A 51 -11.940 5.469 -1.889 1.00 0.00 C ATOM 407 C LYS A 51 -12.848 5.800 -3.066 1.00 0.00 C ATOM 408 O LYS A 51 -13.821 6.536 -2.925 1.00 0.00 O ATOM 409 CB LYS A 51 -10.805 6.494 -1.808 1.00 0.00 C ATOM 410 CG LYS A 51 -11.303 7.921 -1.634 1.00 0.00 C ATOM 411 CD LYS A 51 -10.163 8.921 -1.578 1.00 0.00 C ATOM 412 CE LYS A 51 -10.676 10.339 -1.383 1.00 0.00 C ATOM 413 NZ LYS A 51 -11.504 10.797 -2.530 1.00 0.00 N ATOM 0 H LYS A 51 -10.420 4.059 -2.205 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.516 5.519 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.152 6.239 -0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.203 6.433 -2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.968 8.176 -2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.891 7.990 -0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.489 8.661 -0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.583 8.866 -2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.266 10.388 -0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.831 11.015 -1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.677 11.819 -2.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.003 10.602 -3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.413 10.291 -2.526 1.00 0.00 H new ATOM 427 N LEU A 52 -12.525 5.248 -4.224 1.00 0.00 N ATOM 428 CA LEU A 52 -13.306 5.482 -5.427 1.00 0.00 C ATOM 429 C LEU A 52 -14.744 5.016 -5.235 1.00 0.00 C ATOM 430 O LEU A 52 -15.685 5.753 -5.523 1.00 0.00 O ATOM 431 CB LEU A 52 -12.674 4.742 -6.611 1.00 0.00 C ATOM 432 CG LEU A 52 -13.359 4.946 -7.964 1.00 0.00 C ATOM 433 CD1 LEU A 52 -13.239 6.393 -8.416 1.00 0.00 C ATOM 434 CD2 LEU A 52 -12.759 4.014 -9.003 1.00 0.00 C ATOM 0 H LEU A 52 -11.723 4.632 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.313 6.553 -5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.634 5.058 -6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.665 3.675 -6.386 1.00 0.00 H new ATOM 0 HG LEU A 52 -14.417 4.711 -7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -13.733 6.515 -9.380 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.712 7.044 -7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.186 6.658 -8.512 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.255 4.169 -9.961 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.694 4.223 -9.108 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.896 2.980 -8.687 1.00 0.00 H new ATOM 446 N ASP A 53 -14.907 3.791 -4.751 1.00 0.00 N ATOM 447 CA ASP A 53 -16.237 3.224 -4.554 1.00 0.00 C ATOM 448 C ASP A 53 -16.906 3.742 -3.277 1.00 0.00 C ATOM 449 O ASP A 53 -18.068 4.148 -3.299 1.00 0.00 O ATOM 450 CB ASP A 53 -16.180 1.697 -4.531 1.00 0.00 C ATOM 451 CG ASP A 53 -17.561 1.074 -4.614 1.00 0.00 C ATOM 452 OD1 ASP A 53 -18.070 0.891 -5.743 1.00 0.00 O ATOM 453 OD2 ASP A 53 -18.149 0.768 -3.561 1.00 0.00 O ATOM 0 H ASP A 53 -14.139 3.173 -4.488 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.844 3.547 -5.400 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.573 1.345 -5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -15.688 1.367 -3.616 1.00 0.00 H new ATOM 458 N ASN A 54 -16.168 3.740 -2.166 1.00 0.00 N ATOM 459 CA ASN A 54 -16.763 4.021 -0.853 1.00 0.00 C ATOM 460 C ASN A 54 -16.508 5.448 -0.374 1.00 0.00 C ATOM 461 O ASN A 54 -16.764 5.764 0.788 1.00 0.00 O ATOM 462 CB ASN A 54 -16.260 3.022 0.193 1.00 0.00 C ATOM 463 CG ASN A 54 -16.976 1.687 0.114 1.00 0.00 C ATOM 464 OD1 ASN A 54 -18.143 1.615 -0.273 1.00 0.00 O ATOM 465 ND2 ASN A 54 -16.289 0.619 0.488 1.00 0.00 N ATOM 0 H ASN A 54 -15.166 3.549 -2.145 1.00 0.00 H new ATOM 0 HA ASN A 54 -17.841 3.912 -0.976 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.190 2.865 0.056 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -16.395 3.445 1.189 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -16.725 -0.303 0.461 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.324 0.718 0.803 1.00 0.00 H new ATOM 472 N SER A 55 -15.986 6.291 -1.260 1.00 0.00 N ATOM 473 CA SER A 55 -15.847 7.733 -1.012 1.00 0.00 C ATOM 474 C SER A 55 -14.767 8.082 0.024 1.00 0.00 C ATOM 475 O SER A 55 -14.454 9.257 0.213 1.00 0.00 O ATOM 476 CB SER A 55 -17.190 8.328 -0.571 1.00 0.00 C ATOM 477 OG SER A 55 -18.214 8.020 -1.502 1.00 0.00 O ATOM 0 H SER A 55 -15.645 5.998 -2.175 1.00 0.00 H new ATOM 0 HA SER A 55 -15.528 8.170 -1.958 1.00 0.00 H new ATOM 0 HB2 SER A 55 -17.458 7.940 0.411 1.00 0.00 H new ATOM 0 HB3 SER A 55 -17.097 9.410 -0.472 1.00 0.00 H new ATOM 0 HG SER A 55 -19.061 8.409 -1.198 1.00 0.00 H new ATOM 483 N ARG A 56 -14.187 7.089 0.684 1.00 0.00 N ATOM 484 CA ARG A 56 -13.233 7.365 1.754 1.00 0.00 C ATOM 485 C ARG A 56 -12.043 6.414 1.699 1.00 0.00 C ATOM 486 O ARG A 56 -12.172 5.271 1.262 1.00 0.00 O ATOM 487 CB ARG A 56 -13.935 7.278 3.118 1.00 0.00 C ATOM 488 CG ARG A 56 -14.411 5.881 3.496 1.00 0.00 C ATOM 489 CD ARG A 56 -13.495 5.246 4.533 1.00 0.00 C ATOM 490 NE ARG A 56 -13.919 3.893 4.894 1.00 0.00 N ATOM 491 CZ ARG A 56 -14.081 3.467 6.147 1.00 0.00 C ATOM 492 NH1 ARG A 56 -13.914 4.297 7.169 1.00 0.00 N ATOM 493 NH2 ARG A 56 -14.417 2.206 6.378 1.00 0.00 N ATOM 0 H ARG A 56 -14.355 6.099 0.503 1.00 0.00 H new ATOM 0 HA ARG A 56 -12.850 8.376 1.616 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -13.251 7.636 3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.792 7.952 3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -15.426 5.934 3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.446 5.253 2.606 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.477 5.214 4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.475 5.869 5.427 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.103 3.233 4.138 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.660 5.270 6.999 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.040 3.962 8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.551 1.563 5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.541 1.879 7.336 1.00 0.00 H new ATOM 507 N TYR A 57 -10.885 6.909 2.127 1.00 0.00 N ATOM 508 CA TYR A 57 -9.669 6.104 2.189 1.00 0.00 C ATOM 509 C TYR A 57 -9.772 5.042 3.277 1.00 0.00 C ATOM 510 O TYR A 57 -10.327 5.287 4.350 1.00 0.00 O ATOM 511 CB TYR A 57 -8.448 6.990 2.453 1.00 0.00 C ATOM 512 CG TYR A 57 -7.818 7.566 1.203 1.00 0.00 C ATOM 513 CD1 TYR A 57 -7.366 6.734 0.185 1.00 0.00 C ATOM 514 CD2 TYR A 57 -7.654 8.937 1.049 1.00 0.00 C ATOM 515 CE1 TYR A 57 -6.769 7.250 -0.948 1.00 0.00 C ATOM 516 CE2 TYR A 57 -7.061 9.462 -0.086 1.00 0.00 C ATOM 517 CZ TYR A 57 -6.620 8.613 -1.080 1.00 0.00 C ATOM 518 OH TYR A 57 -6.027 9.129 -2.209 1.00 0.00 O ATOM 0 H TYR A 57 -10.763 7.873 2.439 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.551 5.609 1.225 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.743 7.809 3.109 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.699 6.407 2.988 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.484 5.665 0.282 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.995 9.604 1.827 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.421 6.588 -1.727 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.944 10.530 -0.193 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.000 10.107 -2.146 1.00 0.00 H new ATOM 528 N PRO A 58 -9.221 3.849 3.011 1.00 0.00 N ATOM 529 CA PRO A 58 -9.287 2.715 3.935 1.00 0.00 C ATOM 530 C PRO A 58 -8.367 2.883 5.139 1.00 0.00 C ATOM 531 O PRO A 58 -7.377 3.615 5.086 1.00 0.00 O ATOM 532 CB PRO A 58 -8.814 1.544 3.075 1.00 0.00 C ATOM 533 CG PRO A 58 -7.888 2.163 2.091 1.00 0.00 C ATOM 534 CD PRO A 58 -8.471 3.513 1.783 1.00 0.00 C ATOM 0 HA PRO A 58 -10.285 2.592 4.356 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.309 0.788 3.676 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.650 1.051 2.579 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.883 2.255 2.502 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.810 1.555 1.190 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.694 4.248 1.573 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.123 3.480 0.910 1.00 0.00 H new ATOM 542 N THR A 59 -8.709 2.199 6.221 1.00 0.00 N ATOM 543 CA THR A 59 -7.893 2.187 7.420 1.00 0.00 C ATOM 544 C THR A 59 -6.756 1.177 7.280 1.00 0.00 C ATOM 545 O THR A 59 -6.685 0.468 6.273 1.00 0.00 O ATOM 546 CB THR A 59 -8.745 1.844 8.653 1.00 0.00 C ATOM 547 OG1 THR A 59 -9.545 0.689 8.372 1.00 0.00 O ATOM 548 CG2 THR A 59 -9.643 3.010 9.038 1.00 0.00 C ATOM 0 H THR A 59 -9.559 1.639 6.290 1.00 0.00 H new ATOM 0 HA THR A 59 -7.470 3.183 7.552 1.00 0.00 H new ATOM 0 HB THR A 59 -8.077 1.638 9.490 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.100 0.478 9.152 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.235 2.740 9.913 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.030 3.881 9.269 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.309 3.246 8.208 1.00 0.00 H new ATOM 556 N THR A 60 -5.888 1.101 8.287 1.00 0.00 N ATOM 557 CA THR A 60 -4.696 0.256 8.229 1.00 0.00 C ATOM 558 C THR A 60 -5.037 -1.189 7.829 1.00 0.00 C ATOM 559 O THR A 60 -4.343 -1.794 7.008 1.00 0.00 O ATOM 560 CB THR A 60 -3.926 0.274 9.577 1.00 0.00 C ATOM 561 OG1 THR A 60 -2.710 -0.474 9.468 1.00 0.00 O ATOM 562 CG2 THR A 60 -4.763 -0.288 10.717 1.00 0.00 C ATOM 0 H THR A 60 -5.989 1.619 9.160 1.00 0.00 H new ATOM 0 HA THR A 60 -4.051 0.674 7.456 1.00 0.00 H new ATOM 0 HB THR A 60 -3.699 1.316 9.802 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.117 -0.041 8.819 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.186 -0.257 11.641 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.667 0.309 10.833 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.036 -1.320 10.494 1.00 0.00 H new ATOM 570 N GLU A 61 -6.127 -1.721 8.374 1.00 0.00 N ATOM 571 CA GLU A 61 -6.535 -3.085 8.076 1.00 0.00 C ATOM 572 C GLU A 61 -7.157 -3.167 6.684 1.00 0.00 C ATOM 573 O GLU A 61 -6.821 -4.046 5.888 1.00 0.00 O ATOM 574 CB GLU A 61 -7.547 -3.571 9.117 1.00 0.00 C ATOM 575 CG GLU A 61 -7.898 -5.045 8.993 1.00 0.00 C ATOM 576 CD GLU A 61 -6.802 -5.951 9.514 1.00 0.00 C ATOM 577 OE1 GLU A 61 -6.985 -6.544 10.598 1.00 0.00 O ATOM 578 OE2 GLU A 61 -5.753 -6.073 8.852 1.00 0.00 O ATOM 0 H GLU A 61 -6.741 -1.228 9.022 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.650 -3.721 8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.146 -3.386 10.113 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.459 -2.981 9.026 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.819 -5.243 9.542 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.093 -5.281 7.947 1.00 0.00 H new ATOM 585 N GLN A 62 -8.036 -2.220 6.384 1.00 0.00 N ATOM 586 CA GLN A 62 -8.830 -2.264 5.160 1.00 0.00 C ATOM 587 C GLN A 62 -7.976 -2.059 3.911 1.00 0.00 C ATOM 588 O GLN A 62 -8.285 -2.606 2.854 1.00 0.00 O ATOM 589 CB GLN A 62 -9.941 -1.213 5.210 1.00 0.00 C ATOM 590 CG GLN A 62 -10.984 -1.482 6.281 1.00 0.00 C ATOM 591 CD GLN A 62 -12.092 -0.450 6.282 1.00 0.00 C ATOM 592 OE1 GLN A 62 -13.090 -0.590 5.576 1.00 0.00 O ATOM 593 NE2 GLN A 62 -11.931 0.588 7.084 1.00 0.00 N ATOM 0 H GLN A 62 -8.219 -1.408 6.974 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.271 -3.259 5.098 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.496 -0.234 5.386 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.433 -1.170 4.238 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.413 -2.472 6.125 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.502 -1.494 7.259 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.088 0.667 7.653 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.649 1.310 7.134 1.00 0.00 H new ATOM 602 N GLY A 63 -6.911 -1.278 4.036 1.00 0.00 N ATOM 603 CA GLY A 63 -6.065 -0.986 2.889 1.00 0.00 C ATOM 604 C GLY A 63 -5.402 -2.220 2.310 1.00 0.00 C ATOM 605 O GLY A 63 -5.453 -2.450 1.102 1.00 0.00 O ATOM 0 H GLY A 63 -6.616 -0.841 4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.665 -0.506 2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.296 -0.272 3.185 1.00 0.00 H new ATOM 609 N LEU A 64 -4.795 -3.021 3.172 1.00 0.00 N ATOM 610 CA LEU A 64 -4.117 -4.238 2.739 1.00 0.00 C ATOM 611 C LEU A 64 -5.114 -5.290 2.259 1.00 0.00 C ATOM 612 O LEU A 64 -4.825 -6.067 1.350 1.00 0.00 O ATOM 613 CB LEU A 64 -3.262 -4.792 3.869 1.00 0.00 C ATOM 614 CG LEU A 64 -1.761 -4.571 3.708 1.00 0.00 C ATOM 615 CD1 LEU A 64 -1.241 -5.249 2.452 1.00 0.00 C ATOM 616 CD2 LEU A 64 -1.435 -3.087 3.690 1.00 0.00 C ATOM 0 H LEU A 64 -4.757 -2.852 4.177 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.472 -3.984 1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.583 -4.335 4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.449 -5.862 3.956 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.262 -5.022 4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.169 -5.075 2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.431 -6.321 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.749 -4.838 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.360 -2.952 3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.952 -2.611 2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.759 -2.632 4.626 1.00 0.00 H new ATOM 628 N GLN A 65 -6.296 -5.295 2.867 1.00 0.00 N ATOM 629 CA GLN A 65 -7.327 -6.273 2.534 1.00 0.00 C ATOM 630 C GLN A 65 -7.953 -6.001 1.169 1.00 0.00 C ATOM 631 O GLN A 65 -8.376 -6.927 0.487 1.00 0.00 O ATOM 632 CB GLN A 65 -8.417 -6.284 3.608 1.00 0.00 C ATOM 633 CG GLN A 65 -7.955 -6.854 4.938 1.00 0.00 C ATOM 634 CD GLN A 65 -7.639 -8.335 4.860 1.00 0.00 C ATOM 635 OE1 GLN A 65 -6.512 -8.730 4.562 1.00 0.00 O ATOM 636 NE2 GLN A 65 -8.633 -9.165 5.129 1.00 0.00 N ATOM 0 H GLN A 65 -6.564 -4.632 3.594 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.844 -7.249 2.493 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.773 -5.265 3.763 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.265 -6.867 3.247 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.069 -6.314 5.272 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.729 -6.691 5.688 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.553 -8.797 5.372 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.480 -10.173 5.093 1.00 0.00 H new ATOM 645 N ALA A 66 -7.980 -4.735 0.764 1.00 0.00 N ATOM 646 CA ALA A 66 -8.670 -4.324 -0.462 1.00 0.00 C ATOM 647 C ALA A 66 -8.106 -5.007 -1.712 1.00 0.00 C ATOM 648 O ALA A 66 -8.779 -5.092 -2.739 1.00 0.00 O ATOM 649 CB ALA A 66 -8.604 -2.811 -0.613 1.00 0.00 C ATOM 0 H ALA A 66 -7.531 -3.970 1.267 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.709 -4.640 -0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.119 -2.514 -1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.084 -2.339 0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.562 -2.496 -0.665 1.00 0.00 H new ATOM 655 N LEU A 67 -6.879 -5.498 -1.619 1.00 0.00 N ATOM 656 CA LEU A 67 -6.231 -6.158 -2.748 1.00 0.00 C ATOM 657 C LEU A 67 -6.506 -7.658 -2.770 1.00 0.00 C ATOM 658 O LEU A 67 -6.191 -8.329 -3.752 1.00 0.00 O ATOM 659 CB LEU A 67 -4.723 -5.926 -2.698 1.00 0.00 C ATOM 660 CG LEU A 67 -4.209 -4.717 -3.464 1.00 0.00 C ATOM 661 CD1 LEU A 67 -2.814 -4.353 -2.992 1.00 0.00 C ATOM 662 CD2 LEU A 67 -4.193 -5.007 -4.951 1.00 0.00 C ATOM 0 H LEU A 67 -6.310 -5.453 -0.774 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.648 -5.723 -3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.426 -5.823 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.226 -6.815 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.876 -3.876 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.457 -3.486 -3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.840 -4.117 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.142 -5.194 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.823 -4.134 -5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.541 -5.858 -5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.204 -5.239 -5.287 1.00 0.00 H new ATOM 674 N VAL A 68 -7.094 -8.185 -1.704 1.00 0.00 N ATOM 675 CA VAL A 68 -7.269 -9.627 -1.579 1.00 0.00 C ATOM 676 C VAL A 68 -8.714 -10.021 -1.257 1.00 0.00 C ATOM 677 O VAL A 68 -9.318 -10.835 -1.961 1.00 0.00 O ATOM 678 CB VAL A 68 -6.304 -10.211 -0.514 1.00 0.00 C ATOM 679 CG1 VAL A 68 -6.370 -9.433 0.794 1.00 0.00 C ATOM 680 CG2 VAL A 68 -6.598 -11.682 -0.267 1.00 0.00 C ATOM 0 H VAL A 68 -7.455 -7.642 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.028 -10.054 -2.553 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.292 -10.116 -0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.680 -9.873 1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.093 -8.394 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.384 -9.475 1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.909 -12.070 0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.622 -11.794 0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.474 -12.239 -1.196 1.00 0.00 H new ATOM 690 N SER A 69 -9.272 -9.440 -0.211 1.00 0.00 N ATOM 691 CA SER A 69 -10.581 -9.839 0.270 1.00 0.00 C ATOM 692 C SER A 69 -11.343 -8.633 0.795 1.00 0.00 C ATOM 693 O SER A 69 -10.771 -7.779 1.469 1.00 0.00 O ATOM 694 CB SER A 69 -10.419 -10.892 1.367 1.00 0.00 C ATOM 695 OG SER A 69 -9.520 -10.449 2.374 1.00 0.00 O ATOM 0 H SER A 69 -8.837 -8.688 0.323 1.00 0.00 H new ATOM 0 HA SER A 69 -11.152 -10.267 -0.554 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.390 -11.110 1.812 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.052 -11.822 0.932 1.00 0.00 H new ATOM 0 HG SER A 69 -9.436 -11.140 3.064 1.00 0.00 H new ATOM 701 N ALA A 70 -12.634 -8.580 0.489 1.00 0.00 N ATOM 702 CA ALA A 70 -13.470 -7.450 0.868 1.00 0.00 C ATOM 703 C ALA A 70 -13.424 -7.213 2.370 1.00 0.00 C ATOM 704 O ALA A 70 -13.728 -8.113 3.156 1.00 0.00 O ATOM 705 CB ALA A 70 -14.903 -7.683 0.426 1.00 0.00 C ATOM 0 H ALA A 70 -13.126 -9.312 -0.024 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.081 -6.563 0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.516 -6.830 0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.935 -7.801 -0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.288 -8.585 0.901 1.00 0.00 H new ATOM 711 N PRO A 71 -13.019 -6.003 2.783 1.00 0.00 N ATOM 712 CA PRO A 71 -13.003 -5.609 4.192 1.00 0.00 C ATOM 713 C PRO A 71 -14.374 -5.762 4.837 1.00 0.00 C ATOM 714 O PRO A 71 -15.398 -5.416 4.236 1.00 0.00 O ATOM 715 CB PRO A 71 -12.598 -4.134 4.150 1.00 0.00 C ATOM 716 CG PRO A 71 -11.868 -3.975 2.865 1.00 0.00 C ATOM 717 CD PRO A 71 -12.521 -4.927 1.905 1.00 0.00 C ATOM 0 HA PRO A 71 -12.329 -6.229 4.783 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.471 -3.483 4.192 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.966 -3.873 4.999 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.932 -2.949 2.503 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.809 -4.205 2.985 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.331 -4.450 1.353 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.812 -5.304 1.168 1.00 0.00 H new ATOM 725 N SER A 72 -14.389 -6.287 6.051 1.00 0.00 N ATOM 726 CA SER A 72 -15.627 -6.501 6.777 1.00 0.00 C ATOM 727 C SER A 72 -16.048 -5.231 7.506 1.00 0.00 C ATOM 728 O SER A 72 -17.197 -5.093 7.934 1.00 0.00 O ATOM 729 CB SER A 72 -15.455 -7.663 7.754 1.00 0.00 C ATOM 730 OG SER A 72 -14.208 -7.580 8.424 1.00 0.00 O ATOM 0 H SER A 72 -13.551 -6.574 6.556 1.00 0.00 H new ATOM 0 HA SER A 72 -16.417 -6.754 6.070 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.265 -7.654 8.483 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.521 -8.609 7.216 1.00 0.00 H new ATOM 0 HG SER A 72 -14.120 -8.333 9.046 1.00 0.00 H new ATOM 736 N ALA A 73 -15.107 -4.304 7.640 1.00 0.00 N ATOM 737 CA ALA A 73 -15.382 -3.015 8.248 1.00 0.00 C ATOM 738 C ALA A 73 -16.255 -2.175 7.328 1.00 0.00 C ATOM 739 O ALA A 73 -16.036 -2.130 6.118 1.00 0.00 O ATOM 740 CB ALA A 73 -14.085 -2.289 8.563 1.00 0.00 C ATOM 0 H ALA A 73 -14.142 -4.426 7.333 1.00 0.00 H new ATOM 0 HA ALA A 73 -15.919 -3.177 9.182 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.309 -1.324 9.018 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.492 -2.887 9.254 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.522 -2.134 7.643 1.00 0.00 H new ATOM 746 N GLU A 74 -17.256 -1.536 7.909 1.00 0.00 N ATOM 747 CA GLU A 74 -18.194 -0.719 7.154 1.00 0.00 C ATOM 748 C GLU A 74 -17.581 0.636 6.795 1.00 0.00 C ATOM 749 O GLU A 74 -16.873 1.237 7.607 1.00 0.00 O ATOM 750 CB GLU A 74 -19.485 -0.535 7.958 1.00 0.00 C ATOM 751 CG GLU A 74 -19.256 -0.122 9.403 1.00 0.00 C ATOM 752 CD GLU A 74 -20.528 -0.134 10.221 1.00 0.00 C ATOM 753 OE1 GLU A 74 -20.950 -1.226 10.660 1.00 0.00 O ATOM 754 OE2 GLU A 74 -21.111 0.948 10.443 1.00 0.00 O ATOM 0 H GLU A 74 -17.442 -1.568 8.911 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.428 -1.231 6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -20.102 0.218 7.468 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -20.048 -1.468 7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -18.529 -0.795 9.858 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.823 0.878 9.427 1.00 0.00 H new ATOM 761 N PRO A 75 -17.842 1.138 5.575 1.00 0.00 N ATOM 762 CA PRO A 75 -18.673 0.448 4.580 1.00 0.00 C ATOM 763 C PRO A 75 -17.989 -0.771 3.965 1.00 0.00 C ATOM 764 O PRO A 75 -16.834 -0.710 3.540 1.00 0.00 O ATOM 765 CB PRO A 75 -18.909 1.518 3.512 1.00 0.00 C ATOM 766 CG PRO A 75 -17.738 2.428 3.624 1.00 0.00 C ATOM 767 CD PRO A 75 -17.359 2.439 5.078 1.00 0.00 C ATOM 0 HA PRO A 75 -19.585 0.054 5.029 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -18.974 1.077 2.517 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -19.843 2.052 3.686 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -16.910 2.076 3.008 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -17.989 3.431 3.279 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -16.282 2.543 5.210 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -17.827 3.269 5.608 1.00 0.00 H new ATOM 775 N HIS A 76 -18.723 -1.877 3.922 1.00 0.00 N ATOM 776 CA HIS A 76 -18.223 -3.118 3.342 1.00 0.00 C ATOM 777 C HIS A 76 -18.033 -2.943 1.841 1.00 0.00 C ATOM 778 O HIS A 76 -18.937 -2.466 1.152 1.00 0.00 O ATOM 779 CB HIS A 76 -19.215 -4.258 3.607 1.00 0.00 C ATOM 780 CG HIS A 76 -18.631 -5.632 3.455 1.00 0.00 C ATOM 781 ND1 HIS A 76 -18.399 -6.468 4.522 1.00 0.00 N ATOM 782 CD2 HIS A 76 -18.253 -6.323 2.351 1.00 0.00 C ATOM 783 CE1 HIS A 76 -17.903 -7.611 4.085 1.00 0.00 C ATOM 784 NE2 HIS A 76 -17.805 -7.551 2.771 1.00 0.00 N ATOM 0 H HIS A 76 -19.674 -1.939 4.285 1.00 0.00 H new ATOM 0 HA HIS A 76 -17.266 -3.365 3.801 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -19.609 -4.153 4.618 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -20.058 -4.157 2.924 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -18.296 -5.972 1.330 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.624 -8.454 4.700 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -17.454 -8.294 2.167 1.00 0.00 H new ATOM 793 N ALA A 77 -16.860 -3.313 1.343 1.00 0.00 N ATOM 794 CA ALA A 77 -16.582 -3.233 -0.085 1.00 0.00 C ATOM 795 C ALA A 77 -17.471 -4.203 -0.855 1.00 0.00 C ATOM 796 O ALA A 77 -17.466 -5.406 -0.590 1.00 0.00 O ATOM 797 CB ALA A 77 -15.113 -3.523 -0.357 1.00 0.00 C ATOM 0 H ALA A 77 -16.088 -3.671 1.905 1.00 0.00 H new ATOM 0 HA ALA A 77 -16.802 -2.221 -0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -14.922 -3.459 -1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -14.495 -2.793 0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.868 -4.525 -0.004 1.00 0.00 H new ATOM 803 N ARG A 78 -18.239 -3.675 -1.795 1.00 0.00 N ATOM 804 CA ARG A 78 -19.167 -4.461 -2.560 1.00 0.00 C ATOM 805 C ARG A 78 -18.664 -4.595 -4.000 1.00 0.00 C ATOM 806 O ARG A 78 -17.784 -3.839 -4.409 1.00 0.00 O ATOM 807 CB ARG A 78 -20.526 -3.764 -2.514 1.00 0.00 C ATOM 808 CG ARG A 78 -21.619 -4.540 -3.192 1.00 0.00 C ATOM 809 CD ARG A 78 -22.022 -5.759 -2.379 1.00 0.00 C ATOM 810 NE ARG A 78 -23.008 -6.582 -3.076 1.00 0.00 N ATOM 811 CZ ARG A 78 -23.283 -7.848 -2.765 1.00 0.00 C ATOM 812 NH1 ARG A 78 -22.665 -8.434 -1.746 1.00 0.00 N ATOM 813 NH2 ARG A 78 -24.192 -8.519 -3.461 1.00 0.00 N ATOM 0 H ARG A 78 -18.229 -2.685 -2.042 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.260 -5.465 -2.146 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -20.803 -3.594 -1.474 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -20.440 -2.785 -2.985 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -22.486 -3.896 -3.339 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -21.284 -4.855 -4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -21.138 -6.359 -2.162 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -22.431 -5.437 -1.421 1.00 0.00 H new ATOM 0 HE ARG A 78 -23.519 -6.160 -3.851 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -21.978 -7.915 -1.199 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -22.877 -9.403 -1.510 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -24.680 -8.066 -4.234 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -24.403 -9.488 -3.223 1.00 0.00 H new ATOM 827 N ASN A 79 -19.213 -5.570 -4.740 1.00 0.00 N ATOM 828 CA ASN A 79 -18.867 -5.826 -6.152 1.00 0.00 C ATOM 829 C ASN A 79 -17.356 -5.861 -6.368 1.00 0.00 C ATOM 830 O ASN A 79 -16.831 -5.391 -7.379 1.00 0.00 O ATOM 831 CB ASN A 79 -19.553 -4.834 -7.122 1.00 0.00 C ATOM 832 CG ASN A 79 -19.182 -3.375 -6.912 1.00 0.00 C ATOM 833 OD1 ASN A 79 -18.194 -2.885 -7.459 1.00 0.00 O ATOM 834 ND2 ASN A 79 -19.994 -2.658 -6.148 1.00 0.00 N ATOM 0 H ASN A 79 -19.917 -6.211 -4.374 1.00 0.00 H new ATOM 0 HA ASN A 79 -19.257 -6.816 -6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -19.300 -5.115 -8.145 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -20.633 -4.937 -7.021 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -19.809 -1.666 -5.998 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -20.804 -3.098 -5.711 1.00 0.00 H new ATOM 841 N TYR A 80 -16.675 -6.465 -5.410 1.00 0.00 N ATOM 842 CA TYR A 80 -15.229 -6.600 -5.435 1.00 0.00 C ATOM 843 C TYR A 80 -14.834 -7.830 -6.241 1.00 0.00 C ATOM 844 O TYR A 80 -15.564 -8.823 -6.264 1.00 0.00 O ATOM 845 CB TYR A 80 -14.703 -6.725 -3.998 1.00 0.00 C ATOM 846 CG TYR A 80 -15.204 -7.962 -3.278 1.00 0.00 C ATOM 847 CD1 TYR A 80 -14.414 -9.103 -3.189 1.00 0.00 C ATOM 848 CD2 TYR A 80 -16.469 -7.995 -2.699 1.00 0.00 C ATOM 849 CE1 TYR A 80 -14.871 -10.239 -2.552 1.00 0.00 C ATOM 850 CE2 TYR A 80 -16.930 -9.127 -2.057 1.00 0.00 C ATOM 851 CZ TYR A 80 -16.128 -10.245 -1.986 1.00 0.00 C ATOM 852 OH TYR A 80 -16.585 -11.376 -1.350 1.00 0.00 O ATOM 0 H TYR A 80 -17.113 -6.879 -4.587 1.00 0.00 H new ATOM 0 HA TYR A 80 -14.793 -5.718 -5.904 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -13.613 -6.742 -4.018 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -14.998 -5.841 -3.433 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -13.426 -9.100 -3.626 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -17.101 -7.121 -2.753 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -14.247 -11.119 -2.497 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -17.914 -9.136 -1.613 1.00 0.00 H new ATOM 0 HH TYR A 80 -17.488 -11.215 -1.005 1.00 0.00 H new ATOM 862 N PRO A 81 -13.686 -7.777 -6.926 1.00 0.00 N ATOM 863 CA PRO A 81 -13.166 -8.925 -7.670 1.00 0.00 C ATOM 864 C PRO A 81 -12.750 -10.055 -6.733 1.00 0.00 C ATOM 865 O PRO A 81 -12.168 -9.809 -5.675 1.00 0.00 O ATOM 866 CB PRO A 81 -11.949 -8.351 -8.406 1.00 0.00 C ATOM 867 CG PRO A 81 -11.545 -7.153 -7.621 1.00 0.00 C ATOM 868 CD PRO A 81 -12.809 -6.598 -7.031 1.00 0.00 C ATOM 0 HA PRO A 81 -13.907 -9.361 -8.340 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.140 -9.080 -8.456 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.200 -8.083 -9.432 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.834 -7.421 -6.839 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.056 -6.416 -8.258 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.631 -6.142 -6.057 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.245 -5.829 -7.668 1.00 0.00 H new ATOM 876 N GLU A 82 -13.063 -11.289 -7.112 1.00 0.00 N ATOM 877 CA GLU A 82 -12.715 -12.446 -6.297 1.00 0.00 C ATOM 878 C GLU A 82 -11.205 -12.612 -6.220 1.00 0.00 C ATOM 879 O GLU A 82 -10.528 -12.705 -7.244 1.00 0.00 O ATOM 880 CB GLU A 82 -13.356 -13.719 -6.848 1.00 0.00 C ATOM 881 CG GLU A 82 -14.873 -13.705 -6.796 1.00 0.00 C ATOM 882 CD GLU A 82 -15.474 -15.042 -7.168 1.00 0.00 C ATOM 883 OE1 GLU A 82 -15.658 -15.300 -8.374 1.00 0.00 O ATOM 884 OE2 GLU A 82 -15.768 -15.838 -6.251 1.00 0.00 O ATOM 0 H GLU A 82 -13.556 -11.513 -7.976 1.00 0.00 H new ATOM 0 HA GLU A 82 -13.102 -12.275 -5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.037 -13.859 -7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -12.989 -14.575 -6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.197 -13.431 -5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.250 -12.939 -7.473 1.00 0.00 H new ATOM 891 N GLY A 83 -10.683 -12.642 -5.004 1.00 0.00 N ATOM 892 CA GLY A 83 -9.250 -12.720 -4.821 1.00 0.00 C ATOM 893 C GLY A 83 -8.590 -11.379 -5.058 1.00 0.00 C ATOM 894 O GLY A 83 -7.367 -11.292 -5.155 1.00 0.00 O ATOM 0 H GLY A 83 -11.226 -12.614 -4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.029 -13.063 -3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.834 -13.458 -5.506 1.00 0.00 H new ATOM 898 N GLY A 84 -9.418 -10.340 -5.170 1.00 0.00 N ATOM 899 CA GLY A 84 -8.927 -8.995 -5.381 1.00 0.00 C ATOM 900 C GLY A 84 -8.038 -8.884 -6.601 1.00 0.00 C ATOM 901 O GLY A 84 -8.455 -9.180 -7.721 1.00 0.00 O ATOM 0 H GLY A 84 -10.434 -10.414 -5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.773 -8.316 -5.490 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.371 -8.673 -4.500 1.00 0.00 H new ATOM 905 N TYR A 85 -6.815 -8.451 -6.374 1.00 0.00 N ATOM 906 CA TYR A 85 -5.811 -8.368 -7.418 1.00 0.00 C ATOM 907 C TYR A 85 -4.692 -9.354 -7.127 1.00 0.00 C ATOM 908 O TYR A 85 -3.895 -9.699 -8.002 1.00 0.00 O ATOM 909 CB TYR A 85 -5.253 -6.950 -7.503 1.00 0.00 C ATOM 910 CG TYR A 85 -6.166 -5.979 -8.218 1.00 0.00 C ATOM 911 CD1 TYR A 85 -7.039 -5.151 -7.519 1.00 0.00 C ATOM 912 CD2 TYR A 85 -6.157 -5.900 -9.603 1.00 0.00 C ATOM 913 CE1 TYR A 85 -7.871 -4.275 -8.187 1.00 0.00 C ATOM 914 CE2 TYR A 85 -6.985 -5.024 -10.275 1.00 0.00 C ATOM 915 CZ TYR A 85 -7.841 -4.216 -9.563 1.00 0.00 C ATOM 916 OH TYR A 85 -8.671 -3.344 -10.231 1.00 0.00 O ATOM 0 H TYR A 85 -6.487 -8.145 -5.458 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.270 -8.617 -8.375 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.064 -6.582 -6.494 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.292 -6.977 -8.017 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -7.066 -5.194 -6.440 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.490 -6.536 -10.166 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -8.544 -3.638 -7.632 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.961 -4.973 -11.354 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.685 -2.483 -9.764 1.00 0.00 H new ATOM 926 N ILE A 86 -4.644 -9.790 -5.881 1.00 0.00 N ATOM 927 CA ILE A 86 -3.666 -10.756 -5.425 1.00 0.00 C ATOM 928 C ILE A 86 -4.330 -11.689 -4.409 1.00 0.00 C ATOM 929 O ILE A 86 -4.978 -11.230 -3.470 1.00 0.00 O ATOM 930 CB ILE A 86 -2.423 -10.045 -4.827 1.00 0.00 C ATOM 931 CG1 ILE A 86 -1.485 -11.054 -4.156 1.00 0.00 C ATOM 932 CG2 ILE A 86 -2.830 -8.937 -3.860 1.00 0.00 C ATOM 933 CD1 ILE A 86 -0.217 -10.436 -3.608 1.00 0.00 C ATOM 0 H ILE A 86 -5.288 -9.480 -5.153 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.312 -11.349 -6.269 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.878 -9.578 -5.648 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.018 -11.548 -3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.220 -11.826 -4.878 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.937 -8.458 -3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.432 -8.197 -4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.412 -9.363 -3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.396 -11.211 -3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.339 -9.967 -4.419 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.472 -9.684 -2.861 1.00 0.00 H new ATOM 945 N ARG A 87 -4.182 -12.998 -4.624 1.00 0.00 N ATOM 946 CA ARG A 87 -4.967 -14.007 -3.901 1.00 0.00 C ATOM 947 C ARG A 87 -4.739 -13.956 -2.389 1.00 0.00 C ATOM 948 O ARG A 87 -5.582 -14.405 -1.607 1.00 0.00 O ATOM 949 CB ARG A 87 -4.650 -15.406 -4.438 1.00 0.00 C ATOM 950 CG ARG A 87 -5.520 -16.499 -3.840 1.00 0.00 C ATOM 951 CD ARG A 87 -5.247 -17.843 -4.487 1.00 0.00 C ATOM 952 NE ARG A 87 -5.626 -17.858 -5.900 1.00 0.00 N ATOM 953 CZ ARG A 87 -5.432 -18.896 -6.711 1.00 0.00 C ATOM 954 NH1 ARG A 87 -4.836 -19.995 -6.262 1.00 0.00 N ATOM 955 NH2 ARG A 87 -5.827 -18.830 -7.976 1.00 0.00 N ATOM 0 H ARG A 87 -3.522 -13.388 -5.297 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.019 -13.779 -4.073 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.773 -15.407 -5.521 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.604 -15.635 -4.236 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.336 -16.566 -2.768 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.571 -16.239 -3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.188 -18.082 -4.393 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.797 -18.620 -3.956 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.065 -17.023 -6.287 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.525 -20.046 -5.292 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.690 -20.788 -6.887 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.279 -17.985 -8.326 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.679 -19.624 -8.599 1.00 0.00 H new ATOM 969 N ARG A 88 -3.607 -13.416 -1.980 1.00 0.00 N ATOM 970 CA ARG A 88 -3.335 -13.193 -0.571 1.00 0.00 C ATOM 971 C ARG A 88 -2.862 -11.769 -0.379 1.00 0.00 C ATOM 972 O ARG A 88 -2.550 -11.089 -1.350 1.00 0.00 O ATOM 973 CB ARG A 88 -2.283 -14.167 -0.037 1.00 0.00 C ATOM 974 CG ARG A 88 -2.748 -15.612 0.017 1.00 0.00 C ATOM 975 CD ARG A 88 -1.788 -16.465 0.829 1.00 0.00 C ATOM 976 NE ARG A 88 -1.703 -16.010 2.219 1.00 0.00 N ATOM 977 CZ ARG A 88 -0.608 -16.100 2.974 1.00 0.00 C ATOM 978 NH1 ARG A 88 0.505 -16.641 2.488 1.00 0.00 N ATOM 979 NH2 ARG A 88 -0.627 -15.647 4.221 1.00 0.00 N ATOM 0 H ARG A 88 -2.857 -13.122 -2.606 1.00 0.00 H new ATOM 0 HA ARG A 88 -4.255 -13.364 -0.012 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.394 -14.106 -0.665 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.988 -13.854 0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.744 -15.661 0.457 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.827 -16.010 -0.995 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.116 -17.504 0.806 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.798 -16.432 0.374 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.537 -15.597 2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.526 -16.991 1.530 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.338 -16.706 3.073 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.478 -15.231 4.600 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.209 -15.715 4.801 1.00 0.00 H new ATOM 993 N LEU A 89 -2.819 -11.313 0.860 1.00 0.00 N ATOM 994 CA LEU A 89 -2.329 -9.977 1.140 1.00 0.00 C ATOM 995 C LEU A 89 -0.873 -9.863 0.675 1.00 0.00 C ATOM 996 O LEU A 89 -0.063 -10.774 0.884 1.00 0.00 O ATOM 997 CB LEU A 89 -2.558 -9.610 2.631 1.00 0.00 C ATOM 998 CG LEU A 89 -1.535 -10.079 3.670 1.00 0.00 C ATOM 999 CD1 LEU A 89 -1.229 -11.566 3.551 1.00 0.00 C ATOM 1000 CD2 LEU A 89 -0.286 -9.234 3.562 1.00 0.00 C ATOM 0 H LEU A 89 -3.114 -11.842 1.680 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.894 -9.235 0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.623 -8.524 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.531 -10.006 2.923 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.966 -9.946 4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.499 -11.849 4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.145 -12.139 3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.824 -11.776 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.443 -9.566 4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.137 -9.336 2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.537 -8.189 3.744 1.00 0.00 H new ATOM 1012 N PRO A 90 -0.552 -8.775 -0.039 1.00 0.00 N ATOM 1013 CA PRO A 90 0.782 -8.563 -0.605 1.00 0.00 C ATOM 1014 C PRO A 90 1.858 -8.458 0.466 1.00 0.00 C ATOM 1015 O PRO A 90 1.672 -7.802 1.495 1.00 0.00 O ATOM 1016 CB PRO A 90 0.649 -7.246 -1.376 1.00 0.00 C ATOM 1017 CG PRO A 90 -0.543 -6.572 -0.793 1.00 0.00 C ATOM 1018 CD PRO A 90 -1.469 -7.669 -0.359 1.00 0.00 C ATOM 0 HA PRO A 90 1.092 -9.399 -1.231 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.543 -6.632 -1.264 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.517 -7.426 -2.443 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -0.261 -5.943 0.051 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -1.023 -5.924 -1.527 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.064 -7.376 0.506 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -2.169 -7.942 -1.149 1.00 0.00 H new ATOM 1026 N GLN A 91 2.986 -9.106 0.215 1.00 0.00 N ATOM 1027 CA GLN A 91 4.091 -9.127 1.161 1.00 0.00 C ATOM 1028 C GLN A 91 5.401 -8.840 0.443 1.00 0.00 C ATOM 1029 O GLN A 91 5.543 -9.149 -0.744 1.00 0.00 O ATOM 1030 CB GLN A 91 4.181 -10.492 1.849 1.00 0.00 C ATOM 1031 CG GLN A 91 2.918 -10.895 2.586 1.00 0.00 C ATOM 1032 CD GLN A 91 3.040 -12.245 3.259 1.00 0.00 C ATOM 1033 OE1 GLN A 91 4.121 -12.648 3.692 1.00 0.00 O ATOM 1034 NE2 GLN A 91 1.933 -12.959 3.346 1.00 0.00 N ATOM 0 H GLN A 91 3.160 -9.628 -0.644 1.00 0.00 H new ATOM 0 HA GLN A 91 3.912 -8.358 1.913 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.410 -11.250 1.100 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.012 -10.478 2.554 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.683 -10.140 3.336 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.084 -10.917 1.884 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.057 -12.590 2.975 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.953 -13.880 3.784 1.00 0.00 H new ATOM 1043 N ASP A 92 6.348 -8.246 1.163 1.00 0.00 N ATOM 1044 CA ASP A 92 7.687 -8.006 0.638 1.00 0.00 C ATOM 1045 C ASP A 92 8.293 -9.320 0.169 1.00 0.00 C ATOM 1046 O ASP A 92 7.976 -10.381 0.711 1.00 0.00 O ATOM 1047 CB ASP A 92 8.617 -7.429 1.716 1.00 0.00 C ATOM 1048 CG ASP A 92 8.171 -6.105 2.306 1.00 0.00 C ATOM 1049 OD1 ASP A 92 8.606 -5.052 1.806 1.00 0.00 O ATOM 1050 OD2 ASP A 92 7.426 -6.122 3.309 1.00 0.00 O ATOM 0 H ASP A 92 6.210 -7.920 2.120 1.00 0.00 H new ATOM 0 HA ASP A 92 7.594 -7.295 -0.183 1.00 0.00 H new ATOM 0 HB2 ASP A 92 8.709 -8.156 2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.611 -7.302 1.287 1.00 0.00 H new ATOM 1055 N PRO A 93 9.185 -9.274 -0.835 1.00 0.00 N ATOM 1056 CA PRO A 93 9.935 -10.454 -1.280 1.00 0.00 C ATOM 1057 C PRO A 93 10.766 -11.053 -0.147 1.00 0.00 C ATOM 1058 O PRO A 93 11.207 -12.200 -0.217 1.00 0.00 O ATOM 1059 CB PRO A 93 10.850 -9.911 -2.384 1.00 0.00 C ATOM 1060 CG PRO A 93 10.196 -8.654 -2.842 1.00 0.00 C ATOM 1061 CD PRO A 93 9.514 -8.081 -1.632 1.00 0.00 C ATOM 0 HA PRO A 93 9.277 -11.254 -1.619 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.854 -9.719 -2.006 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.949 -10.625 -3.202 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.930 -7.956 -3.244 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.478 -8.854 -3.637 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.167 -7.400 -1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.620 -7.518 -1.902 1.00 0.00 H new ATOM 1069 N TRP A 94 10.982 -10.253 0.892 1.00 0.00 N ATOM 1070 CA TRP A 94 11.722 -10.689 2.067 1.00 0.00 C ATOM 1071 C TRP A 94 10.827 -11.481 3.027 1.00 0.00 C ATOM 1072 O TRP A 94 11.316 -12.117 3.963 1.00 0.00 O ATOM 1073 CB TRP A 94 12.346 -9.481 2.766 1.00 0.00 C ATOM 1074 CG TRP A 94 13.232 -8.682 1.856 1.00 0.00 C ATOM 1075 CD1 TRP A 94 14.442 -9.060 1.352 1.00 0.00 C ATOM 1076 CD2 TRP A 94 12.975 -7.371 1.336 1.00 0.00 C ATOM 1077 NE1 TRP A 94 14.948 -8.068 0.545 1.00 0.00 N ATOM 1078 CE2 TRP A 94 14.068 -7.023 0.522 1.00 0.00 C ATOM 1079 CE3 TRP A 94 11.929 -6.459 1.480 1.00 0.00 C ATOM 1080 CZ2 TRP A 94 14.140 -5.805 -0.148 1.00 0.00 C ATOM 1081 CZ3 TRP A 94 12.003 -5.249 0.815 1.00 0.00 C ATOM 1082 CH2 TRP A 94 13.102 -4.933 0.009 1.00 0.00 C ATOM 0 H TRP A 94 10.650 -9.290 0.942 1.00 0.00 H new ATOM 0 HA TRP A 94 12.520 -11.358 1.745 1.00 0.00 H new ATOM 0 HB2 TRP A 94 11.554 -8.839 3.151 1.00 0.00 H new ATOM 0 HB3 TRP A 94 12.925 -9.822 3.624 1.00 0.00 H new ATOM 0 HD1 TRP A 94 14.931 -10.001 1.557 1.00 0.00 H new ATOM 0 HE1 TRP A 94 15.836 -8.106 0.045 1.00 0.00 H new ATOM 0 HE3 TRP A 94 11.076 -6.694 2.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 14.988 -5.559 -0.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 11.199 -4.536 0.920 1.00 0.00 H new ATOM 0 HH2 TRP A 94 13.129 -3.980 -0.499 1.00 0.00 H new ATOM 1093 N GLY A 95 9.516 -11.437 2.799 1.00 0.00 N ATOM 1094 CA GLY A 95 8.600 -12.259 3.573 1.00 0.00 C ATOM 1095 C GLY A 95 7.806 -11.487 4.615 1.00 0.00 C ATOM 1096 O GLY A 95 7.149 -12.090 5.460 1.00 0.00 O ATOM 0 H GLY A 95 9.073 -10.848 2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.905 -12.750 2.892 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.167 -13.045 4.072 1.00 0.00 H new ATOM 1100 N SER A 96 7.858 -10.166 4.563 1.00 0.00 N ATOM 1101 CA SER A 96 7.136 -9.337 5.523 1.00 0.00 C ATOM 1102 C SER A 96 5.862 -8.765 4.904 1.00 0.00 C ATOM 1103 O SER A 96 5.830 -8.442 3.724 1.00 0.00 O ATOM 1104 CB SER A 96 8.054 -8.218 6.020 1.00 0.00 C ATOM 1105 OG SER A 96 8.826 -7.686 4.959 1.00 0.00 O ATOM 0 H SER A 96 8.391 -9.642 3.869 1.00 0.00 H new ATOM 0 HA SER A 96 6.837 -9.954 6.370 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.456 -7.426 6.472 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.714 -8.603 6.797 1.00 0.00 H new ATOM 0 HG SER A 96 8.398 -6.873 4.619 1.00 0.00 H new ATOM 1111 N ASP A 97 4.808 -8.668 5.701 1.00 0.00 N ATOM 1112 CA ASP A 97 3.538 -8.106 5.242 1.00 0.00 C ATOM 1113 C ASP A 97 3.654 -6.588 5.169 1.00 0.00 C ATOM 1114 O ASP A 97 4.107 -5.967 6.127 1.00 0.00 O ATOM 1115 CB ASP A 97 2.407 -8.480 6.213 1.00 0.00 C ATOM 1116 CG ASP A 97 2.356 -9.961 6.546 1.00 0.00 C ATOM 1117 OD1 ASP A 97 3.139 -10.406 7.419 1.00 0.00 O ATOM 1118 OD2 ASP A 97 1.528 -10.686 5.960 1.00 0.00 O ATOM 0 H ASP A 97 4.804 -8.972 6.675 1.00 0.00 H new ATOM 0 HA ASP A 97 3.309 -8.511 4.256 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.529 -7.913 7.136 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.453 -8.181 5.779 1.00 0.00 H new ATOM 1123 N TYR A 98 3.250 -5.987 4.045 1.00 0.00 N ATOM 1124 CA TYR A 98 3.329 -4.529 3.904 1.00 0.00 C ATOM 1125 C TYR A 98 2.470 -3.838 4.953 1.00 0.00 C ATOM 1126 O TYR A 98 1.575 -4.447 5.547 1.00 0.00 O ATOM 1127 CB TYR A 98 2.888 -4.050 2.518 1.00 0.00 C ATOM 1128 CG TYR A 98 3.760 -4.529 1.377 1.00 0.00 C ATOM 1129 CD1 TYR A 98 3.314 -5.500 0.496 1.00 0.00 C ATOM 1130 CD2 TYR A 98 5.028 -4.004 1.181 1.00 0.00 C ATOM 1131 CE1 TYR A 98 4.108 -5.940 -0.546 1.00 0.00 C ATOM 1132 CE2 TYR A 98 5.828 -4.437 0.141 1.00 0.00 C ATOM 1133 CZ TYR A 98 5.366 -5.406 -0.719 1.00 0.00 C ATOM 1134 OH TYR A 98 6.163 -5.846 -1.753 1.00 0.00 O ATOM 0 H TYR A 98 2.872 -6.476 3.234 1.00 0.00 H new ATOM 0 HA TYR A 98 4.378 -4.266 4.042 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.866 -4.384 2.341 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.873 -2.960 2.513 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.328 -5.921 0.626 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.397 -3.243 1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 98 3.744 -6.699 -1.222 1.00 0.00 H new ATOM 0 HE2 TYR A 98 6.813 -4.016 0.004 1.00 0.00 H new ATOM 0 HH TYR A 98 5.610 -6.304 -2.420 1.00 0.00 H new ATOM 1144 N GLN A 99 2.725 -2.559 5.149 1.00 0.00 N ATOM 1145 CA GLN A 99 2.057 -1.803 6.196 1.00 0.00 C ATOM 1146 C GLN A 99 1.429 -0.529 5.654 1.00 0.00 C ATOM 1147 O GLN A 99 2.008 0.163 4.813 1.00 0.00 O ATOM 1148 CB GLN A 99 3.038 -1.457 7.318 1.00 0.00 C ATOM 1149 CG GLN A 99 3.392 -2.634 8.212 1.00 0.00 C ATOM 1150 CD GLN A 99 2.196 -3.160 8.983 1.00 0.00 C ATOM 1151 OE1 GLN A 99 1.263 -2.415 9.293 1.00 0.00 O ATOM 1152 NE2 GLN A 99 2.221 -4.441 9.312 1.00 0.00 N ATOM 0 H GLN A 99 3.391 -2.019 4.597 1.00 0.00 H new ATOM 0 HA GLN A 99 1.261 -2.433 6.593 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.953 -1.060 6.878 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.609 -0.664 7.931 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.808 -3.436 7.603 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.168 -2.331 8.915 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.012 -5.023 9.036 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.449 -4.847 9.842 1.00 0.00 H new ATOM 1161 N LEU A 100 0.238 -0.241 6.145 1.00 0.00 N ATOM 1162 CA LEU A 100 -0.451 0.999 5.841 1.00 0.00 C ATOM 1163 C LEU A 100 -0.768 1.728 7.133 1.00 0.00 C ATOM 1164 O LEU A 100 -1.095 1.095 8.135 1.00 0.00 O ATOM 1165 CB LEU A 100 -1.759 0.745 5.096 1.00 0.00 C ATOM 1166 CG LEU A 100 -2.654 1.981 4.980 1.00 0.00 C ATOM 1167 CD1 LEU A 100 -2.169 2.906 3.882 1.00 0.00 C ATOM 1168 CD2 LEU A 100 -4.093 1.586 4.754 1.00 0.00 C ATOM 0 H LEU A 100 -0.280 -0.862 6.767 1.00 0.00 H new ATOM 0 HA LEU A 100 0.203 1.597 5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.531 0.378 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.310 -0.044 5.607 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.597 2.523 5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.824 3.775 3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.153 3.232 4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.181 2.377 2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.708 2.482 4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.172 1.010 3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.440 0.980 5.591 1.00 0.00 H new ATOM 1180 N LEU A 101 -0.667 3.041 7.123 1.00 0.00 N ATOM 1181 CA LEU A 101 -1.049 3.812 8.285 1.00 0.00 C ATOM 1182 C LEU A 101 -2.013 4.925 7.893 1.00 0.00 C ATOM 1183 O LEU A 101 -1.659 5.838 7.147 1.00 0.00 O ATOM 1184 CB LEU A 101 0.211 4.371 8.970 1.00 0.00 C ATOM 1185 CG LEU A 101 0.025 4.976 10.369 1.00 0.00 C ATOM 1186 CD1 LEU A 101 -0.553 6.378 10.297 1.00 0.00 C ATOM 1187 CD2 LEU A 101 -0.857 4.081 11.226 1.00 0.00 C ATOM 0 H LEU A 101 -0.328 3.590 6.333 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.567 3.167 8.994 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.944 3.568 9.042 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.639 5.136 8.323 1.00 0.00 H new ATOM 0 HG LEU A 101 1.009 5.045 10.832 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.671 6.775 11.305 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.121 7.021 9.730 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.524 6.346 9.804 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.977 4.527 12.214 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.834 3.974 10.755 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.393 3.100 11.325 1.00 0.00 H new ATOM 1199 N SER A 102 -3.248 4.801 8.359 1.00 0.00 N ATOM 1200 CA SER A 102 -4.246 5.850 8.211 1.00 0.00 C ATOM 1201 C SER A 102 -4.502 6.530 9.562 1.00 0.00 C ATOM 1202 O SER A 102 -4.724 5.843 10.561 1.00 0.00 O ATOM 1203 CB SER A 102 -5.541 5.246 7.670 1.00 0.00 C ATOM 1204 OG SER A 102 -5.271 4.381 6.579 1.00 0.00 O ATOM 0 H SER A 102 -3.585 3.972 8.849 1.00 0.00 H new ATOM 0 HA SER A 102 -3.879 6.600 7.510 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.050 4.695 8.461 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.215 6.042 7.352 1.00 0.00 H new ATOM 0 HG SER A 102 -6.062 4.323 6.004 1.00 0.00 H new ATOM 1210 N PRO A 103 -4.458 7.872 9.637 1.00 0.00 N ATOM 1211 CA PRO A 103 -4.074 8.748 8.536 1.00 0.00 C ATOM 1212 C PRO A 103 -2.561 8.871 8.441 1.00 0.00 C ATOM 1213 O PRO A 103 -1.878 9.047 9.452 1.00 0.00 O ATOM 1214 CB PRO A 103 -4.698 10.105 8.906 1.00 0.00 C ATOM 1215 CG PRO A 103 -5.372 9.909 10.229 1.00 0.00 C ATOM 1216 CD PRO A 103 -4.800 8.655 10.823 1.00 0.00 C ATOM 0 HA PRO A 103 -4.412 8.373 7.570 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -3.934 10.880 8.969 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.414 10.424 8.148 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.196 10.763 10.883 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.451 9.821 10.104 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -3.925 8.860 11.440 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -5.522 8.139 11.456 1.00 0.00 H new ATOM 1224 N GLY A 104 -2.047 8.785 7.226 1.00 0.00 N ATOM 1225 CA GLY A 104 -0.614 8.750 7.021 1.00 0.00 C ATOM 1226 C GLY A 104 0.071 10.059 7.348 1.00 0.00 C ATOM 1227 O GLY A 104 -0.580 11.061 7.645 1.00 0.00 O ATOM 0 H GLY A 104 -2.601 8.738 6.371 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.185 7.960 7.638 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.409 8.491 5.982 1.00 0.00 H new ATOM 1231 N GLN A 105 1.390 10.052 7.289 1.00 0.00 N ATOM 1232 CA GLN A 105 2.175 11.235 7.588 1.00 0.00 C ATOM 1233 C GLN A 105 2.494 11.982 6.299 1.00 0.00 C ATOM 1234 O GLN A 105 2.667 13.200 6.295 1.00 0.00 O ATOM 1235 CB GLN A 105 3.465 10.839 8.315 1.00 0.00 C ATOM 1236 CG GLN A 105 4.278 12.017 8.834 1.00 0.00 C ATOM 1237 CD GLN A 105 3.503 12.876 9.814 1.00 0.00 C ATOM 1238 OE1 GLN A 105 3.509 12.630 11.021 1.00 0.00 O ATOM 1239 NE2 GLN A 105 2.838 13.897 9.303 1.00 0.00 N ATOM 0 H GLN A 105 1.943 9.234 7.035 1.00 0.00 H new ATOM 0 HA GLN A 105 1.600 11.893 8.240 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.211 10.190 9.153 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.086 10.255 7.636 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.181 11.645 9.318 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.598 12.631 7.992 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.858 14.067 8.297 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.304 14.515 9.914 1.00 0.00 H new ATOM 1248 N HIS A 106 2.552 11.240 5.204 1.00 0.00 N ATOM 1249 CA HIS A 106 2.848 11.810 3.896 1.00 0.00 C ATOM 1250 C HIS A 106 1.562 12.011 3.100 1.00 0.00 C ATOM 1251 O HIS A 106 1.585 12.085 1.870 1.00 0.00 O ATOM 1252 CB HIS A 106 3.799 10.889 3.118 1.00 0.00 C ATOM 1253 CG HIS A 106 5.069 10.565 3.847 1.00 0.00 C ATOM 1254 ND1 HIS A 106 5.230 9.423 4.604 1.00 0.00 N ATOM 1255 CD2 HIS A 106 6.246 11.230 3.924 1.00 0.00 C ATOM 1256 CE1 HIS A 106 6.446 9.402 5.114 1.00 0.00 C ATOM 1257 NE2 HIS A 106 7.083 10.486 4.716 1.00 0.00 N ATOM 0 H HIS A 106 2.397 10.232 5.195 1.00 0.00 H new ATOM 0 HA HIS A 106 3.328 12.777 4.043 1.00 0.00 H new ATOM 0 HB2 HIS A 106 3.279 9.960 2.886 1.00 0.00 H new ATOM 0 HB3 HIS A 106 4.048 11.361 2.168 1.00 0.00 H new ATOM 0 HD2 HIS A 106 6.482 12.171 3.450 1.00 0.00 H new ATOM 0 HE1 HIS A 106 6.851 8.629 5.750 1.00 0.00 H new ATOM 0 HE2 HIS A 106 8.043 10.731 4.958 1.00 0.00 H new ATOM 1266 N GLY A 107 0.444 12.088 3.809 1.00 0.00 N ATOM 1267 CA GLY A 107 -0.842 12.252 3.164 1.00 0.00 C ATOM 1268 C GLY A 107 -1.958 11.641 3.986 1.00 0.00 C ATOM 1269 O GLY A 107 -1.835 11.511 5.201 1.00 0.00 O ATOM 0 H GLY A 107 0.406 12.039 4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.041 13.313 3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.818 11.787 2.179 1.00 0.00 H new ATOM 1273 N GLN A 108 -3.051 11.269 3.335 1.00 0.00 N ATOM 1274 CA GLN A 108 -4.164 10.631 4.029 1.00 0.00 C ATOM 1275 C GLN A 108 -3.828 9.195 4.405 1.00 0.00 C ATOM 1276 O GLN A 108 -4.217 8.715 5.467 1.00 0.00 O ATOM 1277 CB GLN A 108 -5.430 10.665 3.172 1.00 0.00 C ATOM 1278 CG GLN A 108 -6.140 12.009 3.187 1.00 0.00 C ATOM 1279 CD GLN A 108 -7.031 12.209 4.407 1.00 0.00 C ATOM 1280 OE1 GLN A 108 -8.035 12.915 4.338 1.00 0.00 O ATOM 1281 NE2 GLN A 108 -6.685 11.588 5.529 1.00 0.00 N ATOM 0 H GLN A 108 -3.192 11.396 2.333 1.00 0.00 H new ATOM 0 HA GLN A 108 -4.345 11.193 4.945 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -5.170 10.413 2.144 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -6.118 9.896 3.524 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -5.396 12.805 3.155 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -6.745 12.102 2.285 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -5.846 11.009 5.553 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -7.259 11.690 6.366 1.00 0.00 H new ATOM 1290 N VAL A 109 -3.101 8.519 3.533 1.00 0.00 N ATOM 1291 CA VAL A 109 -2.732 7.131 3.758 1.00 0.00 C ATOM 1292 C VAL A 109 -1.251 6.915 3.485 1.00 0.00 C ATOM 1293 O VAL A 109 -0.736 7.317 2.440 1.00 0.00 O ATOM 1294 CB VAL A 109 -3.571 6.173 2.881 1.00 0.00 C ATOM 1295 CG1 VAL A 109 -4.897 5.855 3.554 1.00 0.00 C ATOM 1296 CG2 VAL A 109 -3.806 6.770 1.499 1.00 0.00 C ATOM 0 H VAL A 109 -2.753 8.911 2.658 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.938 6.907 4.805 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.012 5.245 2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -5.473 5.180 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -4.711 5.380 4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.458 6.777 3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.398 6.078 0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.341 7.715 1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -2.847 6.944 1.010 1.00 0.00 H new ATOM 1306 N ASP A 110 -0.563 6.302 4.435 1.00 0.00 N ATOM 1307 CA ASP A 110 0.866 6.058 4.295 1.00 0.00 C ATOM 1308 C ASP A 110 1.131 4.585 4.046 1.00 0.00 C ATOM 1309 O ASP A 110 0.865 3.746 4.905 1.00 0.00 O ATOM 1310 CB ASP A 110 1.616 6.501 5.553 1.00 0.00 C ATOM 1311 CG ASP A 110 2.822 7.363 5.240 1.00 0.00 C ATOM 1312 OD1 ASP A 110 2.714 8.599 5.363 1.00 0.00 O ATOM 1313 OD2 ASP A 110 3.883 6.820 4.875 1.00 0.00 O ATOM 0 H ASP A 110 -0.968 5.965 5.308 1.00 0.00 H new ATOM 0 HA ASP A 110 1.223 6.638 3.444 1.00 0.00 H new ATOM 0 HB2 ASP A 110 0.936 7.055 6.200 1.00 0.00 H new ATOM 0 HB3 ASP A 110 1.938 5.620 6.108 1.00 0.00 H new ATOM 1318 N ILE A 111 1.634 4.272 2.865 1.00 0.00 N ATOM 1319 CA ILE A 111 2.024 2.908 2.545 1.00 0.00 C ATOM 1320 C ILE A 111 3.536 2.792 2.522 1.00 0.00 C ATOM 1321 O ILE A 111 4.225 3.563 1.842 1.00 0.00 O ATOM 1322 CB ILE A 111 1.458 2.428 1.190 1.00 0.00 C ATOM 1323 CG1 ILE A 111 1.568 3.533 0.136 1.00 0.00 C ATOM 1324 CG2 ILE A 111 0.022 1.956 1.346 1.00 0.00 C ATOM 1325 CD1 ILE A 111 1.100 3.112 -1.237 1.00 0.00 C ATOM 0 H ILE A 111 1.782 4.943 2.111 1.00 0.00 H new ATOM 0 HA ILE A 111 1.604 2.270 3.323 1.00 0.00 H new ATOM 0 HB ILE A 111 2.053 1.581 0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 111 0.983 4.393 0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 111 2.606 3.860 0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -0.358 1.622 0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -0.014 1.130 2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -0.593 2.777 1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 111 1.208 3.946 -1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 111 1.701 2.272 -1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.053 2.813 -1.189 1.00 0.00 H new ATOM 1337 N PHE A 112 4.048 1.838 3.276 1.00 0.00 N ATOM 1338 CA PHE A 112 5.477 1.631 3.367 1.00 0.00 C ATOM 1339 C PHE A 112 5.800 0.154 3.507 1.00 0.00 C ATOM 1340 O PHE A 112 5.021 -0.623 4.068 1.00 0.00 O ATOM 1341 CB PHE A 112 6.072 2.439 4.529 1.00 0.00 C ATOM 1342 CG PHE A 112 5.374 2.249 5.849 1.00 0.00 C ATOM 1343 CD1 PHE A 112 4.229 2.971 6.155 1.00 0.00 C ATOM 1344 CD2 PHE A 112 5.868 1.358 6.789 1.00 0.00 C ATOM 1345 CE1 PHE A 112 3.593 2.808 7.370 1.00 0.00 C ATOM 1346 CE2 PHE A 112 5.234 1.191 8.005 1.00 0.00 C ATOM 1347 CZ PHE A 112 4.094 1.916 8.296 1.00 0.00 C ATOM 0 H PHE A 112 3.491 1.193 3.836 1.00 0.00 H new ATOM 0 HA PHE A 112 5.932 1.988 2.443 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.121 2.165 4.645 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.046 3.497 4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.830 3.669 5.434 1.00 0.00 H new ATOM 0 HD2 PHE A 112 6.758 0.788 6.568 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.704 3.378 7.595 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.629 0.494 8.729 1.00 0.00 H new ATOM 0 HZ PHE A 112 3.597 1.785 9.246 1.00 0.00 H new ATOM 1357 N SER A 113 6.943 -0.219 2.967 1.00 0.00 N ATOM 1358 CA SER A 113 7.397 -1.591 2.984 1.00 0.00 C ATOM 1359 C SER A 113 8.535 -1.736 3.977 1.00 0.00 C ATOM 1360 O SER A 113 9.437 -0.897 4.027 1.00 0.00 O ATOM 1361 CB SER A 113 7.861 -1.970 1.587 1.00 0.00 C ATOM 1362 OG SER A 113 6.971 -1.443 0.614 1.00 0.00 O ATOM 0 H SER A 113 7.584 0.425 2.503 1.00 0.00 H new ATOM 0 HA SER A 113 6.585 -2.253 3.287 1.00 0.00 H new ATOM 0 HB2 SER A 113 8.867 -1.588 1.414 1.00 0.00 H new ATOM 0 HB3 SER A 113 7.911 -3.055 1.495 1.00 0.00 H new ATOM 0 HG SER A 113 6.323 -2.132 0.356 1.00 0.00 H new ATOM 1368 N LEU A 114 8.483 -2.817 4.745 1.00 0.00 N ATOM 1369 CA LEU A 114 9.361 -3.005 5.894 1.00 0.00 C ATOM 1370 C LEU A 114 10.812 -3.088 5.484 1.00 0.00 C ATOM 1371 O LEU A 114 11.686 -2.627 6.209 1.00 0.00 O ATOM 1372 CB LEU A 114 8.996 -4.276 6.666 1.00 0.00 C ATOM 1373 CG LEU A 114 7.708 -4.220 7.496 1.00 0.00 C ATOM 1374 CD1 LEU A 114 7.723 -3.028 8.434 1.00 0.00 C ATOM 1375 CD2 LEU A 114 6.482 -4.172 6.602 1.00 0.00 C ATOM 0 H LEU A 114 7.832 -3.587 4.590 1.00 0.00 H new ATOM 0 HA LEU A 114 9.222 -2.134 6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 114 8.908 -5.096 5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 114 9.823 -4.520 7.333 1.00 0.00 H new ATOM 0 HG LEU A 114 7.659 -5.131 8.093 1.00 0.00 H new ATOM 0 HD11 LEU A 114 6.799 -3.009 9.013 1.00 0.00 H new ATOM 0 HD12 LEU A 114 8.574 -3.108 9.111 1.00 0.00 H new ATOM 0 HD13 LEU A 114 7.807 -2.109 7.854 1.00 0.00 H new ATOM 0 HD21 LEU A 114 5.584 -4.133 7.218 1.00 0.00 H new ATOM 0 HD22 LEU A 114 6.527 -3.285 5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.454 -5.063 5.975 1.00 0.00 H new ATOM 1387 N GLY A 115 11.055 -3.688 4.328 1.00 0.00 N ATOM 1388 CA GLY A 115 12.412 -3.883 3.882 1.00 0.00 C ATOM 1389 C GLY A 115 13.000 -5.166 4.430 1.00 0.00 C ATOM 1390 O GLY A 115 12.316 -5.913 5.129 1.00 0.00 O ATOM 0 H GLY A 115 10.337 -4.041 3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 115 12.438 -3.907 2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 115 13.024 -3.038 4.197 1.00 0.00 H new ATOM 1394 N PRO A 116 14.272 -5.441 4.138 1.00 0.00 N ATOM 1395 CA PRO A 116 14.934 -6.685 4.544 1.00 0.00 C ATOM 1396 C PRO A 116 15.154 -6.777 6.053 1.00 0.00 C ATOM 1397 O PRO A 116 15.423 -7.853 6.585 1.00 0.00 O ATOM 1398 CB PRO A 116 16.274 -6.639 3.807 1.00 0.00 C ATOM 1399 CG PRO A 116 16.525 -5.194 3.545 1.00 0.00 C ATOM 1400 CD PRO A 116 15.174 -4.551 3.386 1.00 0.00 C ATOM 0 HA PRO A 116 14.328 -7.557 4.300 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.071 -7.074 4.410 1.00 0.00 H new ATOM 0 HB3 PRO A 116 16.232 -7.206 2.877 1.00 0.00 H new ATOM 0 HG2 PRO A 116 17.077 -4.740 4.368 1.00 0.00 H new ATOM 0 HG3 PRO A 116 17.127 -5.061 2.646 1.00 0.00 H new ATOM 0 HD2 PRO A 116 15.163 -3.538 3.788 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.885 -4.481 2.337 1.00 0.00 H new ATOM 1408 N ASP A 117 15.028 -5.647 6.740 1.00 0.00 N ATOM 1409 CA ASP A 117 15.334 -5.590 8.165 1.00 0.00 C ATOM 1410 C ASP A 117 14.081 -5.847 8.997 1.00 0.00 C ATOM 1411 O ASP A 117 14.164 -6.073 10.204 1.00 0.00 O ATOM 1412 CB ASP A 117 15.938 -4.222 8.534 1.00 0.00 C ATOM 1413 CG ASP A 117 14.916 -3.090 8.537 1.00 0.00 C ATOM 1414 OD1 ASP A 117 13.884 -3.213 7.860 1.00 0.00 O ATOM 1415 OD2 ASP A 117 15.142 -2.075 9.227 1.00 0.00 O ATOM 0 H ASP A 117 14.718 -4.763 6.337 1.00 0.00 H new ATOM 0 HA ASP A 117 16.065 -6.368 8.385 1.00 0.00 H new ATOM 0 HB2 ASP A 117 16.397 -4.290 9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 117 16.733 -3.982 7.828 1.00 0.00 H new ATOM 1420 N GLY A 118 12.926 -5.815 8.339 1.00 0.00 N ATOM 1421 CA GLY A 118 11.666 -6.035 9.025 1.00 0.00 C ATOM 1422 C GLY A 118 11.257 -4.856 9.891 1.00 0.00 C ATOM 1423 O GLY A 118 10.265 -4.925 10.616 1.00 0.00 O ATOM 0 H GLY A 118 12.841 -5.640 7.338 1.00 0.00 H new ATOM 0 HA2 GLY A 118 10.885 -6.228 8.289 1.00 0.00 H new ATOM 0 HA3 GLY A 118 11.746 -6.927 9.647 1.00 0.00 H new ATOM 1427 N VAL A 119 12.017 -3.770 9.811 1.00 0.00 N ATOM 1428 CA VAL A 119 11.794 -2.609 10.662 1.00 0.00 C ATOM 1429 C VAL A 119 11.274 -1.426 9.853 1.00 0.00 C ATOM 1430 O VAL A 119 11.934 -0.965 8.904 1.00 0.00 O ATOM 1431 CB VAL A 119 13.081 -2.199 11.411 1.00 0.00 C ATOM 1432 CG1 VAL A 119 12.831 -1.000 12.311 1.00 0.00 C ATOM 1433 CG2 VAL A 119 13.623 -3.367 12.220 1.00 0.00 C ATOM 0 H VAL A 119 12.797 -3.670 9.161 1.00 0.00 H new ATOM 0 HA VAL A 119 11.041 -2.894 11.397 1.00 0.00 H new ATOM 0 HB VAL A 119 13.826 -1.915 10.668 1.00 0.00 H new ATOM 0 HG11 VAL A 119 13.754 -0.733 12.826 1.00 0.00 H new ATOM 0 HG12 VAL A 119 12.495 -0.156 11.708 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.065 -1.250 13.045 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.530 -3.059 12.741 1.00 0.00 H new ATOM 0 HG22 VAL A 119 12.876 -3.683 12.948 1.00 0.00 H new ATOM 0 HG23 VAL A 119 13.852 -4.197 11.552 1.00 0.00 H new ATOM 1443 N PRO A 120 10.073 -0.930 10.232 1.00 0.00 N ATOM 1444 CA PRO A 120 9.400 0.172 9.539 1.00 0.00 C ATOM 1445 C PRO A 120 10.001 1.540 9.847 1.00 0.00 C ATOM 1446 O PRO A 120 10.640 1.735 10.887 1.00 0.00 O ATOM 1447 CB PRO A 120 7.971 0.095 10.071 1.00 0.00 C ATOM 1448 CG PRO A 120 8.111 -0.471 11.440 1.00 0.00 C ATOM 1449 CD PRO A 120 9.283 -1.412 11.385 1.00 0.00 C ATOM 0 HA PRO A 120 9.488 0.072 8.457 1.00 0.00 H new ATOM 0 HB2 PRO A 120 7.503 1.079 10.095 1.00 0.00 H new ATOM 0 HB3 PRO A 120 7.347 -0.539 9.441 1.00 0.00 H new ATOM 0 HG2 PRO A 120 8.279 0.318 12.173 1.00 0.00 H new ATOM 0 HG3 PRO A 120 7.204 -0.996 11.739 1.00 0.00 H new ATOM 0 HD2 PRO A 120 9.863 -1.382 12.307 1.00 0.00 H new ATOM 0 HD3 PRO A 120 8.961 -2.444 11.245 1.00 0.00 H new ATOM 1457 N GLU A 121 9.784 2.478 8.923 1.00 0.00 N ATOM 1458 CA GLU A 121 10.227 3.864 9.069 1.00 0.00 C ATOM 1459 C GLU A 121 11.744 3.939 9.152 1.00 0.00 C ATOM 1460 O GLU A 121 12.313 4.868 9.727 1.00 0.00 O ATOM 1461 CB GLU A 121 9.577 4.517 10.292 1.00 0.00 C ATOM 1462 CG GLU A 121 8.077 4.715 10.142 1.00 0.00 C ATOM 1463 CD GLU A 121 7.729 5.700 9.044 1.00 0.00 C ATOM 1464 OE1 GLU A 121 7.674 6.916 9.331 1.00 0.00 O ATOM 1465 OE2 GLU A 121 7.510 5.268 7.891 1.00 0.00 O ATOM 0 H GLU A 121 9.293 2.295 8.048 1.00 0.00 H new ATOM 0 HA GLU A 121 9.910 4.418 8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.769 3.900 11.170 1.00 0.00 H new ATOM 0 HB3 GLU A 121 10.048 5.483 10.473 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.607 3.755 9.927 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.664 5.068 11.087 1.00 0.00 H new ATOM 1472 N SER A 122 12.388 2.947 8.572 1.00 0.00 N ATOM 1473 CA SER A 122 13.830 2.868 8.553 1.00 0.00 C ATOM 1474 C SER A 122 14.385 3.323 7.202 1.00 0.00 C ATOM 1475 O SER A 122 13.623 3.563 6.266 1.00 0.00 O ATOM 1476 CB SER A 122 14.230 1.433 8.866 1.00 0.00 C ATOM 1477 OG SER A 122 13.198 0.542 8.475 1.00 0.00 O ATOM 0 H SER A 122 11.923 2.172 8.100 1.00 0.00 H new ATOM 0 HA SER A 122 14.252 3.536 9.304 1.00 0.00 H new ATOM 0 HB2 SER A 122 15.154 1.183 8.344 1.00 0.00 H new ATOM 0 HB3 SER A 122 14.428 1.327 9.933 1.00 0.00 H new ATOM 0 HG SER A 122 13.047 0.619 7.510 1.00 0.00 H new ATOM 1483 N ASN A 123 15.703 3.441 7.090 1.00 0.00 N ATOM 1484 CA ASN A 123 16.323 3.909 5.847 1.00 0.00 C ATOM 1485 C ASN A 123 16.118 2.906 4.712 1.00 0.00 C ATOM 1486 O ASN A 123 15.976 3.284 3.545 1.00 0.00 O ATOM 1487 CB ASN A 123 17.818 4.168 6.063 1.00 0.00 C ATOM 1488 CG ASN A 123 18.547 4.498 4.771 1.00 0.00 C ATOM 1489 OD1 ASN A 123 19.118 3.621 4.123 1.00 0.00 O ATOM 1490 ND2 ASN A 123 18.521 5.762 4.381 1.00 0.00 N ATOM 0 H ASN A 123 16.363 3.222 7.837 1.00 0.00 H new ATOM 0 HA ASN A 123 15.839 4.843 5.562 1.00 0.00 H new ATOM 0 HB2 ASN A 123 17.942 4.991 6.766 1.00 0.00 H new ATOM 0 HB3 ASN A 123 18.273 3.288 6.518 1.00 0.00 H new ATOM 0 HD21 ASN A 123 18.985 6.038 3.516 1.00 0.00 H new ATOM 0 HD22 ASN A 123 18.037 6.460 4.946 1.00 0.00 H new ATOM 1497 N ASP A 124 16.077 1.633 5.070 1.00 0.00 N ATOM 1498 CA ASP A 124 15.928 0.555 4.096 1.00 0.00 C ATOM 1499 C ASP A 124 14.498 0.478 3.576 1.00 0.00 C ATOM 1500 O ASP A 124 14.242 -0.117 2.530 1.00 0.00 O ATOM 1501 CB ASP A 124 16.280 -0.781 4.746 1.00 0.00 C ATOM 1502 CG ASP A 124 15.257 -1.178 5.788 1.00 0.00 C ATOM 1503 OD1 ASP A 124 14.454 -2.085 5.559 1.00 0.00 O ATOM 1504 OD2 ASP A 124 15.200 -0.567 6.865 1.00 0.00 O ATOM 0 H ASP A 124 16.145 1.315 6.037 1.00 0.00 H new ATOM 0 HA ASP A 124 16.600 0.763 3.263 1.00 0.00 H new ATOM 0 HB2 ASP A 124 16.340 -1.555 3.980 1.00 0.00 H new ATOM 0 HB3 ASP A 124 17.265 -0.713 5.209 1.00 0.00 H new ATOM 1509 N ASP A 125 13.580 1.076 4.328 1.00 0.00 N ATOM 1510 CA ASP A 125 12.150 0.993 4.043 1.00 0.00 C ATOM 1511 C ASP A 125 11.802 1.602 2.693 1.00 0.00 C ATOM 1512 O ASP A 125 12.318 2.658 2.324 1.00 0.00 O ATOM 1513 CB ASP A 125 11.358 1.713 5.131 1.00 0.00 C ATOM 1514 CG ASP A 125 11.075 0.858 6.352 1.00 0.00 C ATOM 1515 OD1 ASP A 125 9.878 0.764 6.720 1.00 0.00 O ATOM 1516 OD2 ASP A 125 12.037 0.316 6.966 1.00 0.00 O ATOM 0 H ASP A 125 13.805 1.632 5.153 1.00 0.00 H new ATOM 0 HA ASP A 125 11.887 -0.064 4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 125 11.909 2.601 5.441 1.00 0.00 H new ATOM 0 HB3 ASP A 125 10.412 2.055 4.712 1.00 0.00 H new ATOM 1521 N ILE A 126 10.916 0.938 1.965 1.00 0.00 N ATOM 1522 CA ILE A 126 10.456 1.438 0.677 1.00 0.00 C ATOM 1523 C ILE A 126 9.046 2.001 0.817 1.00 0.00 C ATOM 1524 O ILE A 126 8.078 1.251 0.935 1.00 0.00 O ATOM 1525 CB ILE A 126 10.448 0.343 -0.420 1.00 0.00 C ATOM 1526 CG1 ILE A 126 11.847 -0.250 -0.638 1.00 0.00 C ATOM 1527 CG2 ILE A 126 9.914 0.906 -1.730 1.00 0.00 C ATOM 1528 CD1 ILE A 126 12.221 -1.332 0.353 1.00 0.00 C ATOM 0 H ILE A 126 10.500 0.050 2.245 1.00 0.00 H new ATOM 0 HA ILE A 126 11.157 2.215 0.371 1.00 0.00 H new ATOM 0 HB ILE A 126 9.792 -0.457 -0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 126 11.903 -0.661 -1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 126 12.583 0.552 -0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 126 9.915 0.124 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 126 8.896 1.267 -1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 126 10.548 1.730 -2.057 1.00 0.00 H new ATOM 0 HD11 ILE A 126 13.223 -1.698 0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 126 12.200 -0.923 1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 126 11.509 -2.154 0.280 1.00 0.00 H new ATOM 1540 N GLY A 127 8.932 3.316 0.818 1.00 0.00 N ATOM 1541 CA GLY A 127 7.634 3.941 0.957 1.00 0.00 C ATOM 1542 C GLY A 127 7.210 4.664 -0.302 1.00 0.00 C ATOM 1543 O GLY A 127 8.010 4.839 -1.225 1.00 0.00 O ATOM 0 H GLY A 127 9.714 3.964 0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 127 6.892 3.182 1.205 1.00 0.00 H new ATOM 0 HA3 GLY A 127 7.659 4.646 1.788 1.00 0.00 H new ATOM 1547 N ASN A 128 5.952 5.086 -0.343 1.00 0.00 N ATOM 1548 CA ASN A 128 5.418 5.807 -1.501 1.00 0.00 C ATOM 1549 C ASN A 128 6.163 7.124 -1.703 1.00 0.00 C ATOM 1550 O ASN A 128 6.384 7.568 -2.831 1.00 0.00 O ATOM 1551 CB ASN A 128 3.922 6.073 -1.321 1.00 0.00 C ATOM 1552 CG ASN A 128 3.278 6.653 -2.567 1.00 0.00 C ATOM 1553 OD1 ASN A 128 3.711 6.381 -3.682 1.00 0.00 O ATOM 1554 ND2 ASN A 128 2.231 7.444 -2.384 1.00 0.00 N ATOM 0 H ASN A 128 5.279 4.943 0.410 1.00 0.00 H new ATOM 0 HA ASN A 128 5.561 5.186 -2.386 1.00 0.00 H new ATOM 0 HB2 ASN A 128 3.420 5.142 -1.057 1.00 0.00 H new ATOM 0 HB3 ASN A 128 3.777 6.761 -0.488 1.00 0.00 H new ATOM 0 HD21 ASN A 128 1.753 7.852 -3.188 1.00 0.00 H new ATOM 0 HD22 ASN A 128 1.903 7.645 -1.439 1.00 0.00 H new ATOM 1561 N TRP A 129 6.572 7.732 -0.599 1.00 0.00 N ATOM 1562 CA TRP A 129 7.314 8.983 -0.644 1.00 0.00 C ATOM 1563 C TRP A 129 8.773 8.720 -1.012 1.00 0.00 C ATOM 1564 O TRP A 129 9.483 9.612 -1.476 1.00 0.00 O ATOM 1565 CB TRP A 129 7.219 9.695 0.706 1.00 0.00 C ATOM 1566 CG TRP A 129 7.624 11.133 0.641 1.00 0.00 C ATOM 1567 CD1 TRP A 129 8.849 11.653 0.930 1.00 0.00 C ATOM 1568 CD2 TRP A 129 6.799 12.239 0.258 1.00 0.00 C ATOM 1569 NE1 TRP A 129 8.840 13.011 0.743 1.00 0.00 N ATOM 1570 CE2 TRP A 129 7.593 13.397 0.335 1.00 0.00 C ATOM 1571 CE3 TRP A 129 5.465 12.362 -0.143 1.00 0.00 C ATOM 1572 CZ2 TRP A 129 7.099 14.662 0.023 1.00 0.00 C ATOM 1573 CZ3 TRP A 129 4.977 13.618 -0.450 1.00 0.00 C ATOM 1574 CH2 TRP A 129 5.792 14.753 -0.365 1.00 0.00 C ATOM 0 H TRP A 129 6.402 7.377 0.342 1.00 0.00 H new ATOM 0 HA TRP A 129 6.879 9.626 -1.409 1.00 0.00 H new ATOM 0 HB2 TRP A 129 6.195 9.628 1.074 1.00 0.00 H new ATOM 0 HB3 TRP A 129 7.851 9.178 1.428 1.00 0.00 H new ATOM 0 HD1 TRP A 129 9.703 11.079 1.259 1.00 0.00 H new ATOM 0 HE1 TRP A 129 9.635 13.633 0.885 1.00 0.00 H new ATOM 0 HE3 TRP A 129 4.828 11.492 -0.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 7.726 15.539 0.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 3.948 13.726 -0.761 1.00 0.00 H new ATOM 0 HH2 TRP A 129 5.379 15.720 -0.611 1.00 0.00 H new ATOM 1585 N THR A 130 9.206 7.481 -0.814 1.00 0.00 N ATOM 1586 CA THR A 130 10.563 7.076 -1.144 1.00 0.00 C ATOM 1587 C THR A 130 10.723 6.962 -2.656 1.00 0.00 C ATOM 1588 O THR A 130 11.688 7.464 -3.231 1.00 0.00 O ATOM 1589 CB THR A 130 10.902 5.721 -0.496 1.00 0.00 C ATOM 1590 OG1 THR A 130 10.439 5.703 0.860 1.00 0.00 O ATOM 1591 CG2 THR A 130 12.399 5.456 -0.526 1.00 0.00 C ATOM 0 H THR A 130 8.630 6.735 -0.423 1.00 0.00 H new ATOM 0 HA THR A 130 11.245 7.834 -0.759 1.00 0.00 H new ATOM 0 HB THR A 130 10.404 4.938 -1.067 1.00 0.00 H new ATOM 0 HG1 THR A 130 11.102 5.256 1.426 1.00 0.00 H new ATOM 0 HG21 THR A 130 12.607 4.492 -0.061 1.00 0.00 H new ATOM 0 HG22 THR A 130 12.746 5.443 -1.559 1.00 0.00 H new ATOM 0 HG23 THR A 130 12.919 6.242 0.021 1.00 0.00 H new ATOM 1599 N ILE A 131 9.760 6.308 -3.297 1.00 0.00 N ATOM 1600 CA ILE A 131 9.775 6.161 -4.746 1.00 0.00 C ATOM 1601 C ILE A 131 9.263 7.443 -5.412 1.00 0.00 C ATOM 1602 O ILE A 131 9.555 7.723 -6.576 1.00 0.00 O ATOM 1603 CB ILE A 131 8.946 4.932 -5.203 1.00 0.00 C ATOM 1604 CG1 ILE A 131 8.995 4.765 -6.727 1.00 0.00 C ATOM 1605 CG2 ILE A 131 7.510 5.037 -4.717 1.00 0.00 C ATOM 1606 CD1 ILE A 131 10.377 4.455 -7.265 1.00 0.00 C ATOM 0 H ILE A 131 8.961 5.872 -2.836 1.00 0.00 H new ATOM 0 HA ILE A 131 10.806 5.991 -5.058 1.00 0.00 H new ATOM 0 HB ILE A 131 9.393 4.044 -4.756 1.00 0.00 H new ATOM 0 HG12 ILE A 131 8.315 3.965 -7.017 1.00 0.00 H new ATOM 0 HG13 ILE A 131 8.630 5.679 -7.195 1.00 0.00 H new ATOM 0 HG21 ILE A 131 6.949 4.164 -5.050 1.00 0.00 H new ATOM 0 HG22 ILE A 131 7.497 5.083 -3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 131 7.053 5.939 -5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 131 10.331 4.351 -8.349 1.00 0.00 H new ATOM 0 HD12 ILE A 131 11.058 5.266 -7.007 1.00 0.00 H new ATOM 0 HD13 ILE A 131 10.738 3.525 -6.827 1.00 0.00 H new ATOM 1618 N GLY A 132 8.500 8.218 -4.652 1.00 0.00 N ATOM 1619 CA GLY A 132 8.156 9.562 -5.064 1.00 0.00 C ATOM 1620 C GLY A 132 6.957 9.637 -5.985 1.00 0.00 C ATOM 1621 O GLY A 132 6.976 10.386 -6.963 1.00 0.00 O ATOM 0 H GLY A 132 8.112 7.936 -3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 132 7.958 10.163 -4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 132 9.015 10.008 -5.566 1.00 0.00 H new