USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 736 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 106 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.18) USER MOD Set 1.2: A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 41 SER OG : rot 174:sc= -5.88! USER MOD Set 2.2: A 69 THR OG1 : rot 89:sc= -0.292! USER MOD Single : A 17 ASN : amide:sc= -2.31! K(o=-2.3!,f=-0.54) USER MOD Single : A 22 GLN : amide:sc= -1.55 K(o=-1.6,f=-4.1!) USER MOD Single : A 26 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.057) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot -168:sc= -0.221 USER MOD Single : A 33 ASN : amide:sc= -12.6! C(o=-13!,f=-15!) USER MOD Single : A 36 SER OG : rot 54:sc= 0.114 USER MOD Single : A 37 ASN : amide:sc= -8.48! C(o=-8.5!,f=-4.5!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0.00643 USER MOD Single : A 51 LYS NZ :NH3+ 156:sc= -1.42 (180deg=-1.54) USER MOD Single : A 53 GLN : amide:sc= -0.248 K(o=-0.25,f=-2.2!) USER MOD Single : A 56 SER OG : rot -75:sc= 1.27 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -3.68 K(o=-3.7,f=-1.5) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0443 USER MOD Single : A 84 HIS : no HD1:sc= -1.61 X(o=-1.6,f=-1.2) USER MOD Single : A 91 LYS NZ :NH3+ -137:sc= -0.194 (180deg=-1.22!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.43! USER MOD Single : A 94 THR OG1 : rot 9:sc= 0.0619 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= -0.756 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.483 K(o=-0.48,f=-2.6!) USER MOD Single : A 113 SER OG : rot 93:sc= 0.961 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.253 K(o=-0.25,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 7 N ALA A 10 -16.122 -0.388 17.232 1.00 0.00 N ATOM 8 CA ALA A 10 -14.819 0.321 17.367 1.00 0.00 C ATOM 9 C ALA A 10 -13.779 -0.353 16.470 1.00 0.00 C ATOM 10 O ALA A 10 -14.030 -1.400 15.911 1.00 0.00 O ATOM 11 CB ALA A 10 -14.355 0.256 18.824 1.00 0.00 C ATOM 0 HA ALA A 10 -14.937 1.363 17.068 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.401 0.774 18.926 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -15.097 0.733 19.464 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.235 -0.786 19.122 1.00 0.00 H new ATOM 17 N PRO A 11 -12.637 0.272 16.369 1.00 0.00 N ATOM 18 CA PRO A 11 -11.496 -0.227 15.548 1.00 0.00 C ATOM 19 C PRO A 11 -10.722 -1.307 16.310 1.00 0.00 C ATOM 20 O PRO A 11 -10.660 -1.304 17.523 1.00 0.00 O ATOM 21 CB PRO A 11 -10.644 1.018 15.345 1.00 0.00 C ATOM 22 CG PRO A 11 -10.969 1.973 16.488 1.00 0.00 C ATOM 23 CD PRO A 11 -12.332 1.564 17.061 1.00 0.00 C ATOM 0 HA PRO A 11 -11.804 -0.686 14.609 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.584 0.764 15.345 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.861 1.481 14.382 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.199 1.924 17.258 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.997 3.002 16.131 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.290 1.438 18.143 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.094 2.317 16.857 1.00 0.00 H new ATOM 31 N VAL A 12 -10.136 -2.231 15.602 1.00 0.00 N ATOM 32 CA VAL A 12 -9.368 -3.319 16.269 1.00 0.00 C ATOM 33 C VAL A 12 -8.266 -3.785 15.318 1.00 0.00 C ATOM 34 O VAL A 12 -8.293 -3.456 14.153 1.00 0.00 O ATOM 35 CB VAL A 12 -10.315 -4.482 16.572 1.00 0.00 C ATOM 36 CG1 VAL A 12 -11.062 -4.210 17.879 1.00 0.00 C ATOM 37 CG2 VAL A 12 -11.325 -4.621 15.430 1.00 0.00 C ATOM 0 H VAL A 12 -10.156 -2.280 14.583 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.927 -2.962 17.200 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.740 -5.403 16.669 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.736 -5.040 18.092 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.345 -4.106 18.693 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.638 -3.290 17.784 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.002 -5.449 15.642 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.898 -3.698 15.337 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.795 -4.815 14.497 1.00 0.00 H new ATOM 47 N PRO A 13 -7.333 -4.541 15.831 1.00 0.00 N ATOM 48 CA PRO A 13 -6.197 -5.081 15.022 1.00 0.00 C ATOM 49 C PRO A 13 -6.686 -6.212 14.111 1.00 0.00 C ATOM 50 O PRO A 13 -7.775 -6.724 14.274 1.00 0.00 O ATOM 51 CB PRO A 13 -5.224 -5.586 16.079 1.00 0.00 C ATOM 52 CG PRO A 13 -6.036 -5.853 17.339 1.00 0.00 C ATOM 53 CD PRO A 13 -7.280 -4.961 17.268 1.00 0.00 C ATOM 0 HA PRO A 13 -5.741 -4.347 14.358 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.725 -6.495 15.742 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.445 -4.848 16.271 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.318 -6.904 17.400 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.450 -5.628 18.230 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.179 -5.503 17.560 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.196 -4.102 17.934 1.00 0.00 H new ATOM 61 N VAL A 14 -5.893 -6.598 13.147 1.00 0.00 N ATOM 62 CA VAL A 14 -6.319 -7.686 12.223 1.00 0.00 C ATOM 63 C VAL A 14 -5.669 -9.005 12.641 1.00 0.00 C ATOM 64 O VAL A 14 -4.526 -9.047 13.051 1.00 0.00 O ATOM 65 CB VAL A 14 -5.898 -7.348 10.799 1.00 0.00 C ATOM 66 CG1 VAL A 14 -6.737 -8.163 9.810 1.00 0.00 C ATOM 67 CG2 VAL A 14 -6.086 -5.850 10.511 1.00 0.00 C ATOM 0 H VAL A 14 -4.970 -6.207 12.961 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.404 -7.784 12.268 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.842 -7.594 10.685 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.435 -7.921 8.791 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.582 -9.227 9.991 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.792 -7.922 9.943 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.778 -5.635 9.488 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.135 -5.584 10.638 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.478 -5.267 11.203 1.00 0.00 H new ATOM 77 N ASP A 15 -6.394 -10.085 12.539 1.00 0.00 N ATOM 78 CA ASP A 15 -5.830 -11.410 12.925 1.00 0.00 C ATOM 79 C ASP A 15 -5.192 -12.061 11.696 1.00 0.00 C ATOM 80 O ASP A 15 -5.750 -12.052 10.617 1.00 0.00 O ATOM 81 CB ASP A 15 -6.961 -12.308 13.454 1.00 0.00 C ATOM 82 CG ASP A 15 -8.207 -12.128 12.581 1.00 0.00 C ATOM 83 OD1 ASP A 15 -8.972 -11.216 12.855 1.00 0.00 O ATOM 84 OD2 ASP A 15 -8.374 -12.902 11.653 1.00 0.00 O ATOM 0 H ASP A 15 -7.357 -10.107 12.203 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.076 -11.280 13.702 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.646 -13.351 13.445 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.189 -12.052 14.489 1.00 0.00 H new ATOM 89 N GLU A 16 -4.024 -12.627 11.845 1.00 0.00 N ATOM 90 CA GLU A 16 -3.357 -13.277 10.681 1.00 0.00 C ATOM 91 C GLU A 16 -3.884 -14.705 10.519 1.00 0.00 C ATOM 92 O GLU A 16 -3.331 -15.503 9.790 1.00 0.00 O ATOM 93 CB GLU A 16 -1.845 -13.316 10.921 1.00 0.00 C ATOM 94 CG GLU A 16 -1.532 -14.318 12.034 1.00 0.00 C ATOM 95 CD GLU A 16 -0.687 -15.462 11.469 1.00 0.00 C ATOM 96 OE1 GLU A 16 0.441 -15.203 11.085 1.00 0.00 O ATOM 97 OE2 GLU A 16 -1.183 -16.576 11.432 1.00 0.00 O ATOM 0 H GLU A 16 -3.504 -12.667 12.722 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.570 -12.708 9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.328 -13.600 10.005 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.484 -12.325 11.197 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.997 -13.822 12.844 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.458 -14.710 12.456 1.00 0.00 H new ATOM 104 N ASN A 17 -4.947 -15.038 11.201 1.00 0.00 N ATOM 105 CA ASN A 17 -5.504 -16.409 11.097 1.00 0.00 C ATOM 106 C ASN A 17 -6.390 -16.526 9.854 1.00 0.00 C ATOM 107 O ASN A 17 -6.689 -17.610 9.394 1.00 0.00 O ATOM 108 CB ASN A 17 -6.339 -16.688 12.343 1.00 0.00 C ATOM 109 CG ASN A 17 -5.595 -16.181 13.579 1.00 0.00 C ATOM 110 OD1 ASN A 17 -6.201 -15.896 14.592 1.00 0.00 O ATOM 111 ND2 ASN A 17 -4.297 -16.055 13.538 1.00 0.00 N ATOM 0 H ASN A 17 -5.453 -14.413 11.828 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.690 -17.130 11.016 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.308 -16.196 12.262 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.530 -17.757 12.434 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.791 -15.717 14.357 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.788 -16.294 12.687 1.00 0.00 H new ATOM 118 N ASP A 18 -6.824 -15.421 9.311 1.00 0.00 N ATOM 119 CA ASP A 18 -7.699 -15.484 8.106 1.00 0.00 C ATOM 120 C ASP A 18 -6.840 -15.375 6.840 1.00 0.00 C ATOM 121 O ASP A 18 -6.143 -14.400 6.635 1.00 0.00 O ATOM 122 CB ASP A 18 -8.711 -14.329 8.150 1.00 0.00 C ATOM 123 CG ASP A 18 -8.027 -13.024 7.729 1.00 0.00 C ATOM 124 OD1 ASP A 18 -7.499 -12.348 8.595 1.00 0.00 O ATOM 125 OD2 ASP A 18 -8.042 -12.726 6.546 1.00 0.00 O ATOM 0 H ASP A 18 -6.612 -14.482 9.648 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.235 -16.433 8.093 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.549 -14.542 7.486 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.119 -14.229 9.156 1.00 0.00 H new ATOM 130 N GLU A 19 -6.879 -16.367 5.992 1.00 0.00 N ATOM 131 CA GLU A 19 -6.057 -16.315 4.747 1.00 0.00 C ATOM 132 C GLU A 19 -6.828 -15.574 3.633 1.00 0.00 C ATOM 133 O GLU A 19 -6.339 -15.422 2.531 1.00 0.00 O ATOM 134 CB GLU A 19 -5.717 -17.760 4.323 1.00 0.00 C ATOM 135 CG GLU A 19 -5.599 -17.873 2.805 1.00 0.00 C ATOM 136 CD GLU A 19 -4.392 -17.065 2.319 1.00 0.00 C ATOM 137 OE1 GLU A 19 -3.607 -16.649 3.156 1.00 0.00 O ATOM 138 OE2 GLU A 19 -4.276 -16.876 1.120 1.00 0.00 O ATOM 0 H GLU A 19 -7.443 -17.209 6.106 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.132 -15.768 4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.780 -18.068 4.788 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.490 -18.439 4.683 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.489 -18.918 2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.509 -17.505 2.332 1.00 0.00 H new ATOM 145 N GLY A 20 -8.020 -15.105 3.903 1.00 0.00 N ATOM 146 CA GLY A 20 -8.788 -14.381 2.849 1.00 0.00 C ATOM 147 C GLY A 20 -8.132 -13.025 2.576 1.00 0.00 C ATOM 148 O GLY A 20 -8.401 -12.388 1.576 1.00 0.00 O ATOM 0 H GLY A 20 -8.491 -15.192 4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.817 -14.973 1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.820 -14.239 3.170 1.00 0.00 H new ATOM 152 N LEU A 21 -7.273 -12.578 3.451 1.00 0.00 N ATOM 153 CA LEU A 21 -6.604 -11.266 3.227 1.00 0.00 C ATOM 154 C LEU A 21 -5.650 -11.385 2.036 1.00 0.00 C ATOM 155 O LEU A 21 -5.215 -10.397 1.476 1.00 0.00 O ATOM 156 CB LEU A 21 -5.817 -10.878 4.480 1.00 0.00 C ATOM 157 CG LEU A 21 -5.244 -9.474 4.310 1.00 0.00 C ATOM 158 CD1 LEU A 21 -6.386 -8.463 4.205 1.00 0.00 C ATOM 159 CD2 LEU A 21 -4.385 -9.140 5.525 1.00 0.00 C ATOM 0 H LEU A 21 -7.007 -13.063 4.308 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.352 -10.501 3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.466 -10.913 5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.012 -11.592 4.652 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.640 -9.431 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.975 -7.461 4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.009 -8.706 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.989 -8.500 5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.971 -8.138 5.413 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.997 -9.181 6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.572 -9.862 5.606 1.00 0.00 H new ATOM 171 N GLN A 22 -5.324 -12.588 1.640 1.00 0.00 N ATOM 172 CA GLN A 22 -4.409 -12.769 0.490 1.00 0.00 C ATOM 173 C GLN A 22 -5.070 -12.223 -0.775 1.00 0.00 C ATOM 174 O GLN A 22 -4.432 -12.042 -1.793 1.00 0.00 O ATOM 175 CB GLN A 22 -4.076 -14.254 0.333 1.00 0.00 C ATOM 176 CG GLN A 22 -2.744 -14.387 -0.392 1.00 0.00 C ATOM 177 CD GLN A 22 -2.556 -15.831 -0.861 1.00 0.00 C ATOM 178 OE1 GLN A 22 -3.511 -16.500 -1.204 1.00 0.00 O ATOM 179 NE2 GLN A 22 -1.356 -16.341 -0.891 1.00 0.00 N ATOM 0 H GLN A 22 -5.657 -13.451 2.069 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.482 -12.222 0.661 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.023 -14.734 1.310 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.862 -14.759 -0.228 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.714 -13.710 -1.246 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.928 -14.100 0.271 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.555 -15.778 -0.603 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.218 -17.302 -1.203 1.00 0.00 H new ATOM 188 N ARG A 23 -6.345 -11.942 -0.717 1.00 0.00 N ATOM 189 CA ARG A 23 -7.038 -11.389 -1.913 1.00 0.00 C ATOM 190 C ARG A 23 -6.812 -9.879 -1.945 1.00 0.00 C ATOM 191 O ARG A 23 -6.716 -9.274 -2.994 1.00 0.00 O ATOM 192 CB ARG A 23 -8.538 -11.687 -1.826 1.00 0.00 C ATOM 193 CG ARG A 23 -9.269 -10.954 -2.952 1.00 0.00 C ATOM 194 CD ARG A 23 -10.567 -11.693 -3.283 1.00 0.00 C ATOM 195 NE ARG A 23 -10.386 -12.480 -4.534 1.00 0.00 N ATOM 196 CZ ARG A 23 -11.392 -13.133 -5.048 1.00 0.00 C ATOM 197 NH1 ARG A 23 -12.160 -13.856 -4.280 1.00 0.00 N ATOM 198 NH2 ARG A 23 -11.630 -13.063 -6.330 1.00 0.00 N ATOM 0 H ARG A 23 -6.934 -12.072 0.106 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.643 -11.846 -2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.712 -12.760 -1.903 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.927 -11.370 -0.858 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.488 -9.929 -2.651 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.634 -10.898 -3.836 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.841 -12.355 -2.461 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.383 -10.980 -3.404 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.474 -12.509 -4.990 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.974 -13.910 -3.279 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.947 -14.367 -4.681 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.029 -12.498 -6.930 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.416 -13.574 -6.731 1.00 0.00 H new ATOM 212 N ALA A 24 -6.716 -9.271 -0.794 1.00 0.00 N ATOM 213 CA ALA A 24 -6.484 -7.809 -0.735 1.00 0.00 C ATOM 214 C ALA A 24 -5.082 -7.506 -1.265 1.00 0.00 C ATOM 215 O ALA A 24 -4.754 -6.382 -1.584 1.00 0.00 O ATOM 216 CB ALA A 24 -6.599 -7.335 0.713 1.00 0.00 C ATOM 0 H ALA A 24 -6.790 -9.733 0.113 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.226 -7.291 -1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.429 -6.259 0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.596 -7.561 1.092 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.855 -7.846 1.323 1.00 0.00 H new ATOM 222 N LEU A 25 -4.252 -8.510 -1.355 1.00 0.00 N ATOM 223 CA LEU A 25 -2.876 -8.310 -1.853 1.00 0.00 C ATOM 224 C LEU A 25 -2.914 -8.135 -3.377 1.00 0.00 C ATOM 225 O LEU A 25 -2.203 -7.326 -3.933 1.00 0.00 O ATOM 226 CB LEU A 25 -2.048 -9.537 -1.442 1.00 0.00 C ATOM 227 CG LEU A 25 -0.864 -9.747 -2.383 1.00 0.00 C ATOM 228 CD1 LEU A 25 -1.381 -10.420 -3.651 1.00 0.00 C ATOM 229 CD2 LEU A 25 -0.207 -8.406 -2.726 1.00 0.00 C ATOM 0 H LEU A 25 -4.480 -9.471 -1.099 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.420 -7.415 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.686 -9.409 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.681 -10.424 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.113 -10.374 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.553 -10.581 -4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.833 -11.379 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.128 -9.781 -4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.635 -8.575 -3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.936 -7.758 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.148 -7.930 -1.812 1.00 0.00 H new ATOM 241 N GLN A 26 -3.743 -8.880 -4.056 1.00 0.00 N ATOM 242 CA GLN A 26 -3.826 -8.743 -5.545 1.00 0.00 C ATOM 243 C GLN A 26 -4.430 -7.371 -5.895 1.00 0.00 C ATOM 244 O GLN A 26 -4.375 -6.932 -7.028 1.00 0.00 O ATOM 245 CB GLN A 26 -4.734 -9.859 -6.125 1.00 0.00 C ATOM 246 CG GLN A 26 -3.986 -11.206 -6.226 1.00 0.00 C ATOM 247 CD GLN A 26 -4.644 -12.080 -7.305 1.00 0.00 C ATOM 248 OE1 GLN A 26 -4.090 -13.090 -7.697 1.00 0.00 O ATOM 249 NE2 GLN A 26 -5.804 -11.742 -7.810 1.00 0.00 N ATOM 0 H GLN A 26 -4.366 -9.577 -3.649 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.826 -8.830 -5.971 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.614 -9.978 -5.493 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.088 -9.564 -7.113 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.938 -11.034 -6.472 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.008 -11.719 -5.265 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.274 -10.897 -7.486 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.237 -12.324 -8.527 1.00 0.00 H new ATOM 258 N PHE A 27 -5.005 -6.697 -4.937 1.00 0.00 N ATOM 259 CA PHE A 27 -5.618 -5.355 -5.213 1.00 0.00 C ATOM 260 C PHE A 27 -4.547 -4.270 -5.146 1.00 0.00 C ATOM 261 O PHE A 27 -4.445 -3.425 -6.012 1.00 0.00 O ATOM 262 CB PHE A 27 -6.676 -5.032 -4.161 1.00 0.00 C ATOM 263 CG PHE A 27 -8.000 -4.704 -4.812 1.00 0.00 C ATOM 264 CD1 PHE A 27 -8.034 -3.988 -6.018 1.00 0.00 C ATOM 265 CD2 PHE A 27 -9.196 -5.088 -4.193 1.00 0.00 C ATOM 266 CE1 PHE A 27 -9.265 -3.659 -6.600 1.00 0.00 C ATOM 267 CE2 PHE A 27 -10.423 -4.751 -4.772 1.00 0.00 C ATOM 268 CZ PHE A 27 -10.457 -4.038 -5.974 1.00 0.00 C ATOM 0 H PHE A 27 -5.080 -7.014 -3.970 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.069 -5.386 -6.205 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.797 -5.881 -3.488 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.346 -4.189 -3.554 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.113 -3.691 -6.497 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.170 -5.645 -3.268 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.294 -3.113 -7.531 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -11.345 -5.042 -4.291 1.00 0.00 H new ATOM 0 HZ PHE A 27 -11.406 -3.779 -6.420 1.00 0.00 H new ATOM 278 N ALA A 28 -3.769 -4.274 -4.106 1.00 0.00 N ATOM 279 CA ALA A 28 -2.724 -3.229 -3.952 1.00 0.00 C ATOM 280 C ALA A 28 -1.556 -3.502 -4.903 1.00 0.00 C ATOM 281 O ALA A 28 -1.010 -2.598 -5.505 1.00 0.00 O ATOM 282 CB ALA A 28 -2.237 -3.241 -2.507 1.00 0.00 C ATOM 0 H ALA A 28 -3.811 -4.959 -3.351 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.140 -2.252 -4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.469 -2.479 -2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.073 -3.032 -1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.821 -4.220 -2.271 1.00 0.00 H new ATOM 288 N MET A 29 -1.167 -4.737 -5.042 1.00 0.00 N ATOM 289 CA MET A 29 -0.032 -5.068 -5.951 1.00 0.00 C ATOM 290 C MET A 29 -0.369 -4.633 -7.379 1.00 0.00 C ATOM 291 O MET A 29 0.508 -4.454 -8.203 1.00 0.00 O ATOM 292 CB MET A 29 0.215 -6.578 -5.926 1.00 0.00 C ATOM 293 CG MET A 29 1.645 -6.853 -5.455 1.00 0.00 C ATOM 294 SD MET A 29 1.828 -6.326 -3.733 1.00 0.00 S ATOM 295 CE MET A 29 3.614 -6.036 -3.777 1.00 0.00 C ATOM 0 H MET A 29 -1.586 -5.535 -4.565 1.00 0.00 H new ATOM 0 HA MET A 29 0.863 -4.544 -5.616 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.498 -7.063 -5.260 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.061 -6.999 -6.919 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.871 -7.915 -5.547 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.356 -6.320 -6.087 1.00 0.00 H new ATOM 0 HE1 MET A 29 3.952 -5.697 -2.798 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.127 -6.962 -4.037 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.841 -5.274 -4.523 1.00 0.00 H new ATOM 305 N ALA A 30 -1.627 -4.464 -7.687 1.00 0.00 N ATOM 306 CA ALA A 30 -2.000 -4.043 -9.067 1.00 0.00 C ATOM 307 C ALA A 30 -1.979 -2.515 -9.160 1.00 0.00 C ATOM 308 O ALA A 30 -1.298 -1.946 -9.986 1.00 0.00 O ATOM 309 CB ALA A 30 -3.400 -4.559 -9.402 1.00 0.00 C ATOM 0 H ALA A 30 -2.409 -4.599 -7.046 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.284 -4.458 -9.777 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.670 -4.250 -10.412 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.411 -5.647 -9.341 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.118 -4.149 -8.692 1.00 0.00 H new ATOM 315 N GLU A 31 -2.706 -1.836 -8.316 1.00 0.00 N ATOM 316 CA GLU A 31 -2.684 -0.348 -8.381 1.00 0.00 C ATOM 317 C GLU A 31 -1.226 0.099 -8.377 1.00 0.00 C ATOM 318 O GLU A 31 -0.862 1.093 -8.975 1.00 0.00 O ATOM 319 CB GLU A 31 -3.413 0.241 -7.169 1.00 0.00 C ATOM 320 CG GLU A 31 -4.805 -0.384 -7.053 1.00 0.00 C ATOM 321 CD GLU A 31 -5.858 0.634 -7.493 1.00 0.00 C ATOM 322 OE1 GLU A 31 -5.980 0.853 -8.688 1.00 0.00 O ATOM 323 OE2 GLU A 31 -6.526 1.180 -6.629 1.00 0.00 O ATOM 0 H GLU A 31 -3.305 -2.239 -7.595 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.186 -0.001 -9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.841 0.051 -6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.497 1.323 -7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.867 -1.278 -7.673 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.991 -0.695 -6.025 1.00 0.00 H new ATOM 330 N TYR A 32 -0.386 -0.643 -7.713 1.00 0.00 N ATOM 331 CA TYR A 32 1.069 -0.281 -7.671 1.00 0.00 C ATOM 332 C TYR A 32 1.715 -0.600 -9.023 1.00 0.00 C ATOM 333 O TYR A 32 2.592 0.101 -9.486 1.00 0.00 O ATOM 334 CB TYR A 32 1.787 -1.084 -6.582 1.00 0.00 C ATOM 335 CG TYR A 32 3.132 -0.448 -6.291 1.00 0.00 C ATOM 336 CD1 TYR A 32 3.212 0.909 -5.946 1.00 0.00 C ATOM 337 CD2 TYR A 32 4.305 -1.216 -6.367 1.00 0.00 C ATOM 338 CE1 TYR A 32 4.455 1.493 -5.677 1.00 0.00 C ATOM 339 CE2 TYR A 32 5.546 -0.628 -6.098 1.00 0.00 C ATOM 340 CZ TYR A 32 5.621 0.723 -5.753 1.00 0.00 C ATOM 341 OH TYR A 32 6.847 1.301 -5.486 1.00 0.00 O ATOM 0 H TYR A 32 -0.638 -1.485 -7.196 1.00 0.00 H new ATOM 0 HA TYR A 32 1.156 0.783 -7.453 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.182 -1.111 -5.676 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.923 -2.116 -6.906 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.313 1.504 -5.888 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.249 -2.261 -6.633 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.514 2.538 -5.411 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.447 -1.220 -6.157 1.00 0.00 H new ATOM 0 HH TYR A 32 7.563 0.693 -5.765 1.00 0.00 H new ATOM 351 N ASN A 33 1.294 -1.664 -9.652 1.00 0.00 N ATOM 352 CA ASN A 33 1.898 -2.037 -10.979 1.00 0.00 C ATOM 353 C ASN A 33 1.765 -0.858 -11.946 1.00 0.00 C ATOM 354 O ASN A 33 2.621 -0.622 -12.774 1.00 0.00 O ATOM 355 CB ASN A 33 1.220 -3.292 -11.599 1.00 0.00 C ATOM 356 CG ASN A 33 -0.228 -2.977 -12.076 1.00 0.00 C ATOM 357 OD1 ASN A 33 -1.160 -3.588 -11.603 1.00 0.00 O ATOM 358 ND2 ASN A 33 -0.474 -2.072 -13.010 1.00 0.00 N ATOM 0 H ASN A 33 0.564 -2.291 -9.314 1.00 0.00 H new ATOM 0 HA ASN A 33 2.948 -2.277 -10.810 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.813 -3.649 -12.441 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.196 -4.096 -10.863 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.432 -1.902 -13.316 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.295 -1.544 -13.424 1.00 0.00 H new ATOM 365 N ARG A 34 0.689 -0.120 -11.861 1.00 0.00 N ATOM 366 CA ARG A 34 0.487 1.021 -12.774 1.00 0.00 C ATOM 367 C ARG A 34 1.593 2.065 -12.595 1.00 0.00 C ATOM 368 O ARG A 34 1.945 2.776 -13.514 1.00 0.00 O ATOM 369 CB ARG A 34 -0.863 1.637 -12.443 1.00 0.00 C ATOM 370 CG ARG A 34 -0.777 2.449 -11.148 1.00 0.00 C ATOM 371 CD ARG A 34 -0.656 3.935 -11.489 1.00 0.00 C ATOM 372 NE ARG A 34 -0.837 4.746 -10.253 1.00 0.00 N ATOM 373 CZ ARG A 34 -0.566 6.022 -10.263 1.00 0.00 C ATOM 374 NH1 ARG A 34 -1.315 6.843 -10.945 1.00 0.00 N ATOM 375 NH2 ARG A 34 0.456 6.476 -9.593 1.00 0.00 N ATOM 0 H ARG A 34 -0.062 -0.269 -11.187 1.00 0.00 H new ATOM 0 HA ARG A 34 0.518 0.681 -13.809 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.187 2.280 -13.262 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.612 0.852 -12.338 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.663 2.275 -10.537 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.083 2.128 -10.561 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.319 4.139 -11.931 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.406 4.211 -12.230 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.173 4.303 -9.398 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.113 6.488 -11.471 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.103 7.841 -10.952 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.043 5.834 -9.061 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.668 7.474 -9.601 1.00 0.00 H new ATOM 389 N ALA A 35 2.126 2.171 -11.418 1.00 0.00 N ATOM 390 CA ALA A 35 3.198 3.178 -11.164 1.00 0.00 C ATOM 391 C ALA A 35 4.568 2.638 -11.610 1.00 0.00 C ATOM 392 O ALA A 35 5.523 3.382 -11.711 1.00 0.00 O ATOM 393 CB ALA A 35 3.245 3.494 -9.667 1.00 0.00 C ATOM 0 H ALA A 35 1.868 1.603 -10.611 1.00 0.00 H new ATOM 0 HA ALA A 35 2.975 4.080 -11.734 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.026 4.229 -9.475 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.283 3.896 -9.350 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.459 2.582 -9.109 1.00 0.00 H new ATOM 399 N SER A 36 4.688 1.358 -11.862 1.00 0.00 N ATOM 400 CA SER A 36 6.015 0.813 -12.278 1.00 0.00 C ATOM 401 C SER A 36 6.304 1.162 -13.738 1.00 0.00 C ATOM 402 O SER A 36 7.335 0.807 -14.274 1.00 0.00 O ATOM 403 CB SER A 36 6.058 -0.707 -12.048 1.00 0.00 C ATOM 404 OG SER A 36 4.737 -1.222 -12.037 1.00 0.00 O ATOM 0 H SER A 36 3.934 0.675 -11.799 1.00 0.00 H new ATOM 0 HA SER A 36 6.793 1.271 -11.667 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.640 -1.188 -12.834 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.554 -0.928 -11.103 1.00 0.00 H new ATOM 0 HG SER A 36 4.271 -0.944 -12.853 1.00 0.00 H new ATOM 410 N ASN A 37 5.415 1.861 -14.383 1.00 0.00 N ATOM 411 CA ASN A 37 5.670 2.236 -15.805 1.00 0.00 C ATOM 412 C ASN A 37 6.508 3.521 -15.843 1.00 0.00 C ATOM 413 O ASN A 37 6.834 4.032 -16.895 1.00 0.00 O ATOM 414 CB ASN A 37 4.339 2.468 -16.553 1.00 0.00 C ATOM 415 CG ASN A 37 3.320 3.173 -15.650 1.00 0.00 C ATOM 416 OD1 ASN A 37 2.131 2.976 -15.804 1.00 0.00 O ATOM 417 ND2 ASN A 37 3.724 3.998 -14.721 1.00 0.00 N ATOM 0 H ASN A 37 4.530 2.188 -13.994 1.00 0.00 H new ATOM 0 HA ASN A 37 6.207 1.423 -16.294 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.518 3.069 -17.444 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.934 1.513 -16.888 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.042 4.473 -14.129 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.721 4.167 -14.587 1.00 0.00 H new ATOM 424 N ASP A 38 6.858 4.042 -14.697 1.00 0.00 N ATOM 425 CA ASP A 38 7.669 5.278 -14.638 1.00 0.00 C ATOM 426 C ASP A 38 9.005 5.078 -15.347 1.00 0.00 C ATOM 427 O ASP A 38 9.175 4.187 -16.155 1.00 0.00 O ATOM 428 CB ASP A 38 7.911 5.601 -13.167 1.00 0.00 C ATOM 429 CG ASP A 38 8.949 4.634 -12.589 1.00 0.00 C ATOM 430 OD1 ASP A 38 9.162 3.595 -13.190 1.00 0.00 O ATOM 431 OD2 ASP A 38 9.513 4.953 -11.555 1.00 0.00 O ATOM 0 H ASP A 38 6.609 3.652 -13.788 1.00 0.00 H new ATOM 0 HA ASP A 38 7.144 6.094 -15.135 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.260 6.628 -13.063 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.978 5.523 -12.610 1.00 0.00 H new ATOM 436 N LYS A 39 9.954 5.904 -15.024 1.00 0.00 N ATOM 437 CA LYS A 39 11.314 5.788 -15.644 1.00 0.00 C ATOM 438 C LYS A 39 12.339 5.920 -14.513 1.00 0.00 C ATOM 439 O LYS A 39 13.346 6.586 -14.647 1.00 0.00 O ATOM 440 CB LYS A 39 11.535 6.914 -16.670 1.00 0.00 C ATOM 441 CG LYS A 39 12.854 6.675 -17.409 1.00 0.00 C ATOM 442 CD LYS A 39 12.656 6.932 -18.905 1.00 0.00 C ATOM 443 CE LYS A 39 13.693 7.950 -19.391 1.00 0.00 C ATOM 444 NZ LYS A 39 13.659 8.026 -20.878 1.00 0.00 N ATOM 0 H LYS A 39 9.853 6.664 -14.352 1.00 0.00 H new ATOM 0 HA LYS A 39 11.415 4.834 -16.161 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.708 6.943 -17.379 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.557 7.881 -16.167 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.628 7.334 -17.015 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.194 5.652 -17.247 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.757 6.000 -19.461 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.649 7.306 -19.090 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.484 8.930 -18.962 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.688 7.660 -19.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.363 8.717 -21.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.878 7.092 -21.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.712 8.322 -21.189 1.00 0.00 H new ATOM 458 N TYR A 40 12.058 5.324 -13.377 1.00 0.00 N ATOM 459 CA TYR A 40 12.963 5.444 -12.218 1.00 0.00 C ATOM 460 C TYR A 40 12.666 4.265 -11.284 1.00 0.00 C ATOM 461 O TYR A 40 12.282 3.205 -11.739 1.00 0.00 O ATOM 462 CB TYR A 40 12.639 6.790 -11.533 1.00 0.00 C ATOM 463 CG TYR A 40 13.042 8.003 -12.429 1.00 0.00 C ATOM 464 CD1 TYR A 40 12.159 8.513 -13.418 1.00 0.00 C ATOM 465 CD2 TYR A 40 14.306 8.636 -12.276 1.00 0.00 C ATOM 466 CE1 TYR A 40 12.534 9.604 -14.211 1.00 0.00 C ATOM 467 CE2 TYR A 40 14.659 9.725 -13.081 1.00 0.00 C ATOM 468 CZ TYR A 40 13.777 10.205 -14.045 1.00 0.00 C ATOM 469 OH TYR A 40 14.136 11.280 -14.834 1.00 0.00 O ATOM 0 H TYR A 40 11.227 4.756 -13.215 1.00 0.00 H new ATOM 0 HA TYR A 40 14.017 5.422 -12.495 1.00 0.00 H new ATOM 0 HB2 TYR A 40 11.573 6.839 -11.312 1.00 0.00 H new ATOM 0 HB3 TYR A 40 13.165 6.850 -10.580 1.00 0.00 H new ATOM 0 HD1 TYR A 40 11.191 8.056 -13.559 1.00 0.00 H new ATOM 0 HD2 TYR A 40 15.000 8.273 -11.532 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.852 9.982 -14.958 1.00 0.00 H new ATOM 0 HE2 TYR A 40 15.622 10.196 -12.953 1.00 0.00 H new ATOM 0 HH TYR A 40 15.036 11.581 -14.587 1.00 0.00 H new ATOM 479 N SER A 41 12.826 4.409 -9.995 1.00 0.00 N ATOM 480 CA SER A 41 12.521 3.224 -9.109 1.00 0.00 C ATOM 481 C SER A 41 11.543 3.617 -7.994 1.00 0.00 C ATOM 482 O SER A 41 11.618 4.690 -7.438 1.00 0.00 O ATOM 483 CB SER A 41 13.821 2.656 -8.494 1.00 0.00 C ATOM 484 OG SER A 41 14.647 3.729 -8.078 1.00 0.00 O ATOM 0 H SER A 41 13.141 5.256 -9.522 1.00 0.00 H new ATOM 0 HA SER A 41 12.057 2.453 -9.725 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.586 2.013 -7.646 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.345 2.040 -9.225 1.00 0.00 H new ATOM 0 HG SER A 41 15.423 3.376 -7.595 1.00 0.00 H new ATOM 490 N SER A 42 10.627 2.744 -7.657 1.00 0.00 N ATOM 491 CA SER A 42 9.655 3.056 -6.568 1.00 0.00 C ATOM 492 C SER A 42 9.649 1.870 -5.582 1.00 0.00 C ATOM 493 O SER A 42 9.385 0.752 -5.980 1.00 0.00 O ATOM 494 CB SER A 42 8.250 3.223 -7.165 1.00 0.00 C ATOM 495 OG SER A 42 8.302 4.149 -8.239 1.00 0.00 O ATOM 0 H SER A 42 10.511 1.828 -8.090 1.00 0.00 H new ATOM 0 HA SER A 42 9.939 3.978 -6.060 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.876 2.262 -7.517 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.557 3.574 -6.400 1.00 0.00 H new ATOM 0 HG SER A 42 7.407 4.256 -8.623 1.00 0.00 H new ATOM 501 N ARG A 43 9.944 2.060 -4.309 1.00 0.00 N ATOM 502 CA ARG A 43 9.943 0.877 -3.394 1.00 0.00 C ATOM 503 C ARG A 43 9.463 1.290 -2.002 1.00 0.00 C ATOM 504 O ARG A 43 9.711 2.391 -1.545 1.00 0.00 O ATOM 505 CB ARG A 43 11.357 0.263 -3.292 1.00 0.00 C ATOM 506 CG ARG A 43 12.354 1.047 -4.153 1.00 0.00 C ATOM 507 CD ARG A 43 13.532 0.143 -4.516 1.00 0.00 C ATOM 508 NE ARG A 43 13.308 -0.441 -5.869 1.00 0.00 N ATOM 509 CZ ARG A 43 14.045 -1.434 -6.281 1.00 0.00 C ATOM 510 NH1 ARG A 43 15.323 -1.264 -6.472 1.00 0.00 N ATOM 511 NH2 ARG A 43 13.501 -2.601 -6.502 1.00 0.00 N ATOM 0 H ARG A 43 10.178 2.956 -3.881 1.00 0.00 H new ATOM 0 HA ARG A 43 9.265 0.129 -3.805 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.686 0.266 -2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.331 -0.778 -3.615 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.865 1.407 -5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.708 1.924 -3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.460 0.714 -4.503 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.636 -0.652 -3.777 1.00 0.00 H new ATOM 0 HE ARG A 43 12.578 -0.063 -6.473 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.748 -0.353 -6.299 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.898 -2.042 -6.794 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.501 -2.734 -6.352 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.076 -3.379 -6.824 1.00 0.00 H new ATOM 525 N VAL A 44 8.776 0.408 -1.324 1.00 0.00 N ATOM 526 CA VAL A 44 8.280 0.736 0.038 1.00 0.00 C ATOM 527 C VAL A 44 9.462 0.765 1.011 1.00 0.00 C ATOM 528 O VAL A 44 10.579 0.449 0.658 1.00 0.00 O ATOM 529 CB VAL A 44 7.262 -0.337 0.481 1.00 0.00 C ATOM 530 CG1 VAL A 44 8.002 -1.595 0.943 1.00 0.00 C ATOM 531 CG2 VAL A 44 6.419 0.208 1.636 1.00 0.00 C ATOM 0 H VAL A 44 8.539 -0.526 -1.658 1.00 0.00 H new ATOM 0 HA VAL A 44 7.794 1.712 0.032 1.00 0.00 H new ATOM 0 HB VAL A 44 6.615 -0.588 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.279 -2.349 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.603 -1.986 0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.652 -1.347 1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.700 -0.548 1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.069 0.460 2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.887 1.101 1.308 1.00 0.00 H new ATOM 541 N VAL A 45 9.217 1.137 2.236 1.00 0.00 N ATOM 542 CA VAL A 45 10.317 1.180 3.238 1.00 0.00 C ATOM 543 C VAL A 45 10.024 0.151 4.331 1.00 0.00 C ATOM 544 O VAL A 45 10.803 -0.747 4.583 1.00 0.00 O ATOM 545 CB VAL A 45 10.387 2.579 3.855 1.00 0.00 C ATOM 546 CG1 VAL A 45 11.709 2.736 4.610 1.00 0.00 C ATOM 547 CG2 VAL A 45 10.306 3.630 2.746 1.00 0.00 C ATOM 0 H VAL A 45 8.300 1.414 2.587 1.00 0.00 H new ATOM 0 HA VAL A 45 11.269 0.951 2.759 1.00 0.00 H new ATOM 0 HB VAL A 45 9.555 2.714 4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.761 3.732 5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.768 1.987 5.400 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.541 2.601 3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.356 4.627 3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.139 3.495 2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.366 3.518 2.206 1.00 0.00 H new ATOM 557 N ARG A 46 8.894 0.274 4.976 1.00 0.00 N ATOM 558 CA ARG A 46 8.530 -0.696 6.053 1.00 0.00 C ATOM 559 C ARG A 46 7.104 -0.405 6.528 1.00 0.00 C ATOM 560 O ARG A 46 6.837 0.628 7.114 1.00 0.00 O ATOM 561 CB ARG A 46 9.498 -0.549 7.228 1.00 0.00 C ATOM 562 CG ARG A 46 9.786 0.932 7.478 1.00 0.00 C ATOM 563 CD ARG A 46 10.744 1.070 8.662 1.00 0.00 C ATOM 564 NE ARG A 46 10.035 1.713 9.805 1.00 0.00 N ATOM 565 CZ ARG A 46 10.666 2.556 10.576 1.00 0.00 C ATOM 566 NH1 ARG A 46 11.452 2.116 11.520 1.00 0.00 N ATOM 567 NH2 ARG A 46 10.511 3.840 10.401 1.00 0.00 N ATOM 0 H ARG A 46 8.205 1.006 4.804 1.00 0.00 H new ATOM 0 HA ARG A 46 8.590 -1.713 5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.070 -1.002 8.122 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.426 -1.079 7.015 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.223 1.384 6.588 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.858 1.465 7.683 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.117 0.089 8.957 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.610 1.667 8.375 1.00 0.00 H new ATOM 0 HE ARG A 46 9.055 1.494 9.985 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.574 1.112 11.656 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.945 2.776 12.122 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.897 4.184 9.662 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.004 4.500 11.003 1.00 0.00 H new ATOM 581 N VAL A 47 6.186 -1.303 6.282 1.00 0.00 N ATOM 582 CA VAL A 47 4.776 -1.076 6.722 1.00 0.00 C ATOM 583 C VAL A 47 4.783 -0.488 8.141 1.00 0.00 C ATOM 584 O VAL A 47 5.665 -0.762 8.929 1.00 0.00 O ATOM 585 CB VAL A 47 4.000 -2.407 6.692 1.00 0.00 C ATOM 586 CG1 VAL A 47 4.149 -3.140 8.026 1.00 0.00 C ATOM 587 CG2 VAL A 47 2.522 -2.109 6.434 1.00 0.00 C ATOM 0 H VAL A 47 6.351 -2.184 5.795 1.00 0.00 H new ATOM 0 HA VAL A 47 4.284 -0.376 6.047 1.00 0.00 H new ATOM 0 HB VAL A 47 4.400 -3.041 5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.595 -4.078 7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.203 -3.348 8.211 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.755 -2.517 8.829 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.961 -3.043 6.410 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.135 -1.473 7.230 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.416 -1.598 5.477 1.00 0.00 H new ATOM 597 N ILE A 48 3.816 0.327 8.468 1.00 0.00 N ATOM 598 CA ILE A 48 3.797 0.930 9.833 1.00 0.00 C ATOM 599 C ILE A 48 2.822 0.169 10.736 1.00 0.00 C ATOM 600 O ILE A 48 3.024 0.073 11.929 1.00 0.00 O ATOM 601 CB ILE A 48 3.361 2.393 9.736 1.00 0.00 C ATOM 602 CG1 ILE A 48 4.374 3.174 8.895 1.00 0.00 C ATOM 603 CG2 ILE A 48 3.287 2.999 11.139 1.00 0.00 C ATOM 604 CD1 ILE A 48 3.757 4.505 8.458 1.00 0.00 C ATOM 0 H ILE A 48 3.046 0.599 7.857 1.00 0.00 H new ATOM 0 HA ILE A 48 4.798 0.869 10.261 1.00 0.00 H new ATOM 0 HB ILE A 48 2.379 2.448 9.265 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.281 3.354 9.473 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.663 2.591 8.021 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.976 4.041 11.069 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.564 2.444 11.737 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.268 2.944 11.611 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.478 5.061 7.859 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.863 4.314 7.864 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.490 5.089 9.339 1.00 0.00 H new ATOM 616 N SER A 49 1.774 -0.374 10.174 1.00 0.00 N ATOM 617 CA SER A 49 0.776 -1.134 10.996 1.00 0.00 C ATOM 618 C SER A 49 -0.439 -1.479 10.131 1.00 0.00 C ATOM 619 O SER A 49 -0.515 -1.111 8.975 1.00 0.00 O ATOM 620 CB SER A 49 0.306 -0.294 12.194 1.00 0.00 C ATOM 621 OG SER A 49 -0.252 -1.155 13.178 1.00 0.00 O ATOM 0 H SER A 49 1.562 -0.326 9.177 1.00 0.00 H new ATOM 0 HA SER A 49 1.253 -2.043 11.362 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.144 0.263 12.614 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.435 0.438 11.872 1.00 0.00 H new ATOM 0 HG SER A 49 -0.552 -0.624 13.945 1.00 0.00 H new ATOM 627 N ALA A 50 -1.394 -2.178 10.684 1.00 0.00 N ATOM 628 CA ALA A 50 -2.606 -2.539 9.896 1.00 0.00 C ATOM 629 C ALA A 50 -3.779 -2.785 10.850 1.00 0.00 C ATOM 630 O ALA A 50 -3.705 -3.609 11.739 1.00 0.00 O ATOM 631 CB ALA A 50 -2.332 -3.809 9.089 1.00 0.00 C ATOM 0 H ALA A 50 -1.386 -2.514 11.647 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.853 -1.723 9.216 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.219 -4.072 8.513 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.497 -3.636 8.410 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.085 -4.625 9.768 1.00 0.00 H new ATOM 637 N LYS A 51 -4.862 -2.079 10.670 1.00 0.00 N ATOM 638 CA LYS A 51 -6.040 -2.284 11.572 1.00 0.00 C ATOM 639 C LYS A 51 -7.303 -2.462 10.730 1.00 0.00 C ATOM 640 O LYS A 51 -7.400 -1.962 9.630 1.00 0.00 O ATOM 641 CB LYS A 51 -6.216 -1.068 12.489 1.00 0.00 C ATOM 642 CG LYS A 51 -4.928 -0.820 13.276 1.00 0.00 C ATOM 643 CD LYS A 51 -5.217 0.144 14.430 1.00 0.00 C ATOM 644 CE LYS A 51 -6.054 -0.571 15.493 1.00 0.00 C ATOM 645 NZ LYS A 51 -7.379 0.101 15.621 1.00 0.00 N ATOM 0 H LYS A 51 -4.986 -1.373 9.944 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.871 -3.174 12.179 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.466 -0.188 11.897 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.046 -1.236 13.176 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.538 -1.761 13.663 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.163 -0.403 12.621 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.282 0.498 14.865 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.749 1.021 14.061 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.190 -1.617 15.220 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.534 -0.557 16.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.074 -0.572 16.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.295 0.915 16.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.694 0.429 14.686 1.00 0.00 H new ATOM 659 N ARG A 52 -8.276 -3.168 11.236 1.00 0.00 N ATOM 660 CA ARG A 52 -9.529 -3.366 10.457 1.00 0.00 C ATOM 661 C ARG A 52 -10.696 -2.702 11.182 1.00 0.00 C ATOM 662 O ARG A 52 -10.819 -2.767 12.388 1.00 0.00 O ATOM 663 CB ARG A 52 -9.816 -4.869 10.301 1.00 0.00 C ATOM 664 CG ARG A 52 -9.681 -5.555 11.660 1.00 0.00 C ATOM 665 CD ARG A 52 -10.907 -6.433 11.911 1.00 0.00 C ATOM 666 NE ARG A 52 -10.517 -7.609 12.736 1.00 0.00 N ATOM 667 CZ ARG A 52 -11.422 -8.265 13.409 1.00 0.00 C ATOM 668 NH1 ARG A 52 -12.320 -7.615 14.098 1.00 0.00 N ATOM 669 NH2 ARG A 52 -11.431 -9.569 13.389 1.00 0.00 N ATOM 0 H ARG A 52 -8.257 -3.615 12.153 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.408 -2.917 9.471 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.820 -5.020 9.903 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.121 -5.311 9.587 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.775 -6.161 11.685 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.587 -4.808 12.449 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.680 -5.858 12.421 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.330 -6.765 10.963 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.541 -7.902 12.775 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.314 -6.595 14.110 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.028 -8.127 14.624 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.731 -10.076 12.847 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.138 -10.082 13.915 1.00 0.00 H new ATOM 683 N GLN A 53 -11.553 -2.064 10.439 1.00 0.00 N ATOM 684 CA GLN A 53 -12.728 -1.384 11.053 1.00 0.00 C ATOM 685 C GLN A 53 -14.011 -2.080 10.602 1.00 0.00 C ATOM 686 O GLN A 53 -13.985 -3.019 9.826 1.00 0.00 O ATOM 687 CB GLN A 53 -12.761 0.080 10.612 1.00 0.00 C ATOM 688 CG GLN A 53 -12.771 0.984 11.846 1.00 0.00 C ATOM 689 CD GLN A 53 -12.072 2.303 11.516 1.00 0.00 C ATOM 690 OE1 GLN A 53 -11.783 2.581 10.369 1.00 0.00 O ATOM 691 NE2 GLN A 53 -11.785 3.135 12.480 1.00 0.00 N ATOM 0 H GLN A 53 -11.491 -1.983 9.424 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.649 -1.433 12.139 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -11.893 0.304 9.991 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.645 0.268 10.003 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -13.796 1.173 12.164 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -12.266 0.490 12.676 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.027 2.903 13.443 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.319 4.017 12.270 1.00 0.00 H new ATOM 700 N LEU A 54 -15.134 -1.621 11.082 1.00 0.00 N ATOM 701 CA LEU A 54 -16.431 -2.252 10.689 1.00 0.00 C ATOM 702 C LEU A 54 -17.409 -1.152 10.217 1.00 0.00 C ATOM 703 O LEU A 54 -17.608 -0.169 10.902 1.00 0.00 O ATOM 704 CB LEU A 54 -17.026 -2.991 11.902 1.00 0.00 C ATOM 705 CG LEU A 54 -18.422 -3.536 11.573 1.00 0.00 C ATOM 706 CD1 LEU A 54 -19.450 -2.407 11.657 1.00 0.00 C ATOM 707 CD2 LEU A 54 -18.432 -4.135 10.166 1.00 0.00 C ATOM 0 H LEU A 54 -15.212 -0.837 11.729 1.00 0.00 H new ATOM 0 HA LEU A 54 -16.266 -2.963 9.879 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -16.369 -3.811 12.193 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -17.086 -2.313 12.754 1.00 0.00 H new ATOM 0 HG LEU A 54 -18.678 -4.313 12.293 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -20.440 -2.798 11.423 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -19.453 -1.992 12.665 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -19.191 -1.625 10.943 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -19.427 -4.519 9.941 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -18.168 -3.365 9.441 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -17.708 -4.948 10.112 1.00 0.00 H new ATOM 719 N VAL A 55 -18.033 -1.297 9.065 1.00 0.00 N ATOM 720 CA VAL A 55 -18.984 -0.262 8.593 1.00 0.00 C ATOM 721 C VAL A 55 -19.890 -0.973 7.600 1.00 0.00 C ATOM 722 O VAL A 55 -19.779 -0.753 6.411 1.00 0.00 O ATOM 723 CB VAL A 55 -18.218 0.852 7.878 1.00 0.00 C ATOM 724 CG1 VAL A 55 -17.353 1.609 8.888 1.00 0.00 C ATOM 725 CG2 VAL A 55 -17.324 0.240 6.797 1.00 0.00 C ATOM 0 H VAL A 55 -17.916 -2.094 8.439 1.00 0.00 H new ATOM 0 HA VAL A 55 -19.544 0.186 9.414 1.00 0.00 H new ATOM 0 HB VAL A 55 -18.925 1.543 7.419 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -16.808 2.403 8.377 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -17.990 2.044 9.658 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.645 0.920 9.349 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -16.777 1.032 6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -16.617 -0.450 7.257 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -17.940 -0.298 6.077 1.00 0.00 H new ATOM 735 N SER A 56 -20.726 -1.890 8.070 1.00 0.00 N ATOM 736 CA SER A 56 -21.579 -2.693 7.153 1.00 0.00 C ATOM 737 C SER A 56 -20.809 -3.984 6.889 1.00 0.00 C ATOM 738 O SER A 56 -21.282 -5.075 7.143 1.00 0.00 O ATOM 739 CB SER A 56 -21.809 -1.935 5.859 1.00 0.00 C ATOM 740 OG SER A 56 -23.016 -2.368 5.249 1.00 0.00 O ATOM 0 H SER A 56 -20.843 -2.106 9.060 1.00 0.00 H new ATOM 0 HA SER A 56 -22.558 -2.898 7.586 1.00 0.00 H new ATOM 0 HB2 SER A 56 -21.857 -0.865 6.059 1.00 0.00 H new ATOM 0 HB3 SER A 56 -20.971 -2.095 5.180 1.00 0.00 H new ATOM 0 HG SER A 56 -22.878 -3.247 4.839 1.00 0.00 H new ATOM 746 N GLY A 57 -19.593 -3.852 6.425 1.00 0.00 N ATOM 747 CA GLY A 57 -18.736 -5.031 6.186 1.00 0.00 C ATOM 748 C GLY A 57 -17.411 -4.794 6.919 1.00 0.00 C ATOM 749 O GLY A 57 -17.357 -4.006 7.847 1.00 0.00 O ATOM 0 H GLY A 57 -19.158 -2.957 6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.220 -5.937 6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -18.564 -5.170 5.119 1.00 0.00 H new ATOM 753 N ILE A 58 -16.328 -5.425 6.519 1.00 0.00 N ATOM 754 CA ILE A 58 -15.051 -5.150 7.241 1.00 0.00 C ATOM 755 C ILE A 58 -14.193 -4.210 6.398 1.00 0.00 C ATOM 756 O ILE A 58 -14.357 -4.108 5.199 1.00 0.00 O ATOM 757 CB ILE A 58 -14.276 -6.451 7.511 1.00 0.00 C ATOM 758 CG1 ILE A 58 -15.206 -7.658 7.370 1.00 0.00 C ATOM 759 CG2 ILE A 58 -13.708 -6.413 8.932 1.00 0.00 C ATOM 760 CD1 ILE A 58 -14.415 -8.944 7.620 1.00 0.00 C ATOM 0 H ILE A 58 -16.276 -6.094 5.751 1.00 0.00 H new ATOM 0 HA ILE A 58 -15.285 -4.688 8.200 1.00 0.00 H new ATOM 0 HB ILE A 58 -13.465 -6.541 6.788 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -16.029 -7.581 8.080 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -15.646 -7.677 6.373 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -13.158 -7.333 9.129 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -13.037 -5.560 9.033 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.525 -6.319 9.648 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -15.077 -9.804 7.520 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.607 -9.021 6.892 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.996 -8.924 8.626 1.00 0.00 H new ATOM 772 N LYS A 59 -13.281 -3.517 7.017 1.00 0.00 N ATOM 773 CA LYS A 59 -12.413 -2.578 6.247 1.00 0.00 C ATOM 774 C LYS A 59 -10.967 -2.723 6.725 1.00 0.00 C ATOM 775 O LYS A 59 -10.714 -3.046 7.864 1.00 0.00 O ATOM 776 CB LYS A 59 -12.888 -1.133 6.474 1.00 0.00 C ATOM 777 CG LYS A 59 -11.966 -0.170 5.723 1.00 0.00 C ATOM 778 CD LYS A 59 -12.805 0.809 4.900 1.00 0.00 C ATOM 779 CE LYS A 59 -13.820 1.507 5.809 1.00 0.00 C ATOM 780 NZ LYS A 59 -13.489 2.956 5.898 1.00 0.00 N ATOM 0 H LYS A 59 -13.097 -3.558 8.019 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.473 -2.813 5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.914 -1.017 6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.885 -0.901 7.539 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.341 0.376 6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.295 -0.728 5.070 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.159 1.547 4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.322 0.278 4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.828 1.376 5.415 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.805 1.058 6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.177 3.432 6.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.533 3.070 6.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.525 3.379 4.949 1.00 0.00 H new ATOM 794 N TYR A 60 -10.013 -2.487 5.869 1.00 0.00 N ATOM 795 CA TYR A 60 -8.595 -2.605 6.292 1.00 0.00 C ATOM 796 C TYR A 60 -7.929 -1.239 6.141 1.00 0.00 C ATOM 797 O TYR A 60 -8.235 -0.492 5.238 1.00 0.00 O ATOM 798 CB TYR A 60 -7.873 -3.628 5.411 1.00 0.00 C ATOM 799 CG TYR A 60 -8.452 -5.003 5.654 1.00 0.00 C ATOM 800 CD1 TYR A 60 -9.747 -5.303 5.217 1.00 0.00 C ATOM 801 CD2 TYR A 60 -7.692 -5.977 6.315 1.00 0.00 C ATOM 802 CE1 TYR A 60 -10.285 -6.577 5.441 1.00 0.00 C ATOM 803 CE2 TYR A 60 -8.230 -7.250 6.539 1.00 0.00 C ATOM 804 CZ TYR A 60 -9.526 -7.550 6.103 1.00 0.00 C ATOM 805 OH TYR A 60 -10.055 -8.806 6.324 1.00 0.00 O ATOM 0 H TYR A 60 -10.156 -2.218 4.896 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.544 -2.936 7.329 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.979 -3.358 4.360 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.806 -3.627 5.634 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -10.332 -4.552 4.707 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.692 -5.746 6.651 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.284 -6.809 5.103 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.645 -8.001 7.049 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.397 -9.360 6.794 1.00 0.00 H new ATOM 815 N ILE A 61 -7.025 -0.906 7.015 1.00 0.00 N ATOM 816 CA ILE A 61 -6.343 0.413 6.912 1.00 0.00 C ATOM 817 C ILE A 61 -4.877 0.237 7.288 1.00 0.00 C ATOM 818 O ILE A 61 -4.542 -0.033 8.430 1.00 0.00 O ATOM 819 CB ILE A 61 -7.003 1.422 7.862 1.00 0.00 C ATOM 820 CG1 ILE A 61 -7.190 0.783 9.240 1.00 0.00 C ATOM 821 CG2 ILE A 61 -8.370 1.840 7.313 1.00 0.00 C ATOM 822 CD1 ILE A 61 -7.637 1.853 10.239 1.00 0.00 C ATOM 0 H ILE A 61 -6.728 -1.489 7.797 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.424 0.789 5.892 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.363 2.300 7.946 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.932 -0.013 9.186 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.257 0.327 9.571 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.832 2.556 7.993 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.243 2.300 6.333 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.009 0.962 7.222 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.771 1.400 11.221 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.879 2.634 10.300 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.580 2.288 9.908 1.00 0.00 H new ATOM 834 N LEU A 62 -3.999 0.363 6.332 1.00 0.00 N ATOM 835 CA LEU A 62 -2.560 0.183 6.624 1.00 0.00 C ATOM 836 C LEU A 62 -1.829 1.518 6.398 1.00 0.00 C ATOM 837 O LEU A 62 -2.157 2.261 5.497 1.00 0.00 O ATOM 838 CB LEU A 62 -2.040 -0.930 5.693 1.00 0.00 C ATOM 839 CG LEU A 62 -0.985 -0.419 4.729 1.00 0.00 C ATOM 840 CD1 LEU A 62 0.386 -0.525 5.402 1.00 0.00 C ATOM 841 CD2 LEU A 62 -1.020 -1.284 3.480 1.00 0.00 C ATOM 0 H LEU A 62 -4.222 0.583 5.361 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.385 -0.109 7.660 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.622 -1.738 6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.873 -1.350 5.129 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.174 0.620 4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.155 -0.161 4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.393 0.076 6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.588 -1.566 5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.268 -0.933 2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.810 -2.319 3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.007 -1.221 3.021 1.00 0.00 H new ATOM 853 N GLN A 63 -0.830 1.810 7.190 1.00 0.00 N ATOM 854 CA GLN A 63 -0.062 3.082 7.004 1.00 0.00 C ATOM 855 C GLN A 63 1.319 2.710 6.462 1.00 0.00 C ATOM 856 O GLN A 63 2.187 2.280 7.192 1.00 0.00 O ATOM 857 CB GLN A 63 0.087 3.821 8.347 1.00 0.00 C ATOM 858 CG GLN A 63 -0.922 3.282 9.362 1.00 0.00 C ATOM 859 CD GLN A 63 -2.332 3.733 8.974 1.00 0.00 C ATOM 860 OE1 GLN A 63 -2.642 4.908 9.017 1.00 0.00 O ATOM 861 NE2 GLN A 63 -3.207 2.842 8.593 1.00 0.00 N ATOM 0 H GLN A 63 -0.511 1.222 7.960 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.586 3.742 6.313 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.100 3.695 8.729 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.069 4.890 8.201 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.874 2.194 9.395 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.676 3.642 10.361 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.948 1.856 8.557 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.149 3.132 8.332 1.00 0.00 H new ATOM 870 N VAL A 64 1.508 2.826 5.182 1.00 0.00 N ATOM 871 CA VAL A 64 2.788 2.437 4.566 1.00 0.00 C ATOM 872 C VAL A 64 3.715 3.649 4.421 1.00 0.00 C ATOM 873 O VAL A 64 3.278 4.774 4.319 1.00 0.00 O ATOM 874 CB VAL A 64 2.469 1.885 3.167 1.00 0.00 C ATOM 875 CG1 VAL A 64 1.224 0.998 3.211 1.00 0.00 C ATOM 876 CG2 VAL A 64 2.214 3.039 2.193 1.00 0.00 C ATOM 0 H VAL A 64 0.811 3.182 4.528 1.00 0.00 H new ATOM 0 HA VAL A 64 3.290 1.697 5.190 1.00 0.00 H new ATOM 0 HB VAL A 64 3.323 1.297 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.014 0.616 2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.396 0.163 3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.373 1.582 3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.989 2.638 1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.370 3.632 2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.101 3.669 2.135 1.00 0.00 H new ATOM 886 N GLU A 65 4.992 3.410 4.366 1.00 0.00 N ATOM 887 CA GLU A 65 5.958 4.518 4.171 1.00 0.00 C ATOM 888 C GLU A 65 6.773 4.170 2.922 1.00 0.00 C ATOM 889 O GLU A 65 7.709 3.398 2.983 1.00 0.00 O ATOM 890 CB GLU A 65 6.880 4.613 5.387 1.00 0.00 C ATOM 891 CG GLU A 65 7.856 5.775 5.200 1.00 0.00 C ATOM 892 CD GLU A 65 7.479 6.915 6.147 1.00 0.00 C ATOM 893 OE1 GLU A 65 6.314 7.004 6.500 1.00 0.00 O ATOM 894 OE2 GLU A 65 8.360 7.680 6.504 1.00 0.00 O ATOM 0 H GLU A 65 5.411 2.484 4.449 1.00 0.00 H new ATOM 0 HA GLU A 65 5.450 5.475 4.054 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.291 4.761 6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.429 3.680 5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.875 5.444 5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.831 6.123 4.167 1.00 0.00 H new ATOM 901 N ILE A 66 6.400 4.686 1.781 1.00 0.00 N ATOM 902 CA ILE A 66 7.137 4.318 0.537 1.00 0.00 C ATOM 903 C ILE A 66 7.950 5.496 0.006 1.00 0.00 C ATOM 904 O ILE A 66 7.588 6.642 0.179 1.00 0.00 O ATOM 905 CB ILE A 66 6.130 3.878 -0.528 1.00 0.00 C ATOM 906 CG1 ILE A 66 5.182 5.037 -0.842 1.00 0.00 C ATOM 907 CG2 ILE A 66 5.323 2.688 -0.003 1.00 0.00 C ATOM 908 CD1 ILE A 66 4.053 4.542 -1.748 1.00 0.00 C ATOM 0 H ILE A 66 5.626 5.339 1.657 1.00 0.00 H new ATOM 0 HA ILE A 66 7.825 3.506 0.770 1.00 0.00 H new ATOM 0 HB ILE A 66 6.661 3.587 -1.434 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.770 5.444 0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 66 5.727 5.845 -1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.605 2.373 -0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.998 1.862 0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.791 2.980 0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.378 5.368 -1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.474 4.156 -2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.502 3.749 -1.242 1.00 0.00 H new ATOM 920 N GLY A 67 9.049 5.221 -0.652 1.00 0.00 N ATOM 921 CA GLY A 67 9.876 6.326 -1.202 1.00 0.00 C ATOM 922 C GLY A 67 10.287 6.001 -2.643 1.00 0.00 C ATOM 923 O GLY A 67 10.174 4.873 -3.105 1.00 0.00 O ATOM 0 H GLY A 67 9.404 4.281 -0.829 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.315 7.260 -1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.763 6.470 -0.585 1.00 0.00 H new ATOM 927 N ARG A 68 10.768 6.987 -3.350 1.00 0.00 N ATOM 928 CA ARG A 68 11.197 6.774 -4.759 1.00 0.00 C ATOM 929 C ARG A 68 12.717 6.620 -4.797 1.00 0.00 C ATOM 930 O ARG A 68 13.374 6.774 -3.793 1.00 0.00 O ATOM 931 CB ARG A 68 10.786 7.980 -5.604 1.00 0.00 C ATOM 932 CG ARG A 68 9.268 7.973 -5.801 1.00 0.00 C ATOM 933 CD ARG A 68 8.838 9.264 -6.503 1.00 0.00 C ATOM 934 NE ARG A 68 7.688 9.871 -5.773 1.00 0.00 N ATOM 935 CZ ARG A 68 7.532 11.167 -5.763 1.00 0.00 C ATOM 936 NH1 ARG A 68 8.187 11.910 -6.613 1.00 0.00 N ATOM 937 NH2 ARG A 68 6.722 11.721 -4.902 1.00 0.00 N ATOM 0 H ARG A 68 10.883 7.941 -3.007 1.00 0.00 H new ATOM 0 HA ARG A 68 10.725 5.876 -5.158 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.095 8.903 -5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 68 11.289 7.948 -6.571 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.972 7.108 -6.394 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.766 7.886 -4.837 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.671 9.966 -6.538 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.556 9.053 -7.535 1.00 0.00 H new ATOM 0 HE ARG A 68 7.023 9.274 -5.281 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.821 11.478 -7.285 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.065 12.923 -6.605 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.211 11.141 -4.237 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.601 12.734 -4.895 1.00 0.00 H new ATOM 951 N THR A 69 13.278 6.332 -5.944 1.00 0.00 N ATOM 952 CA THR A 69 14.761 6.178 -6.055 1.00 0.00 C ATOM 953 C THR A 69 15.151 6.384 -7.532 1.00 0.00 C ATOM 954 O THR A 69 14.289 6.578 -8.377 1.00 0.00 O ATOM 955 CB THR A 69 15.191 4.776 -5.592 1.00 0.00 C ATOM 956 OG1 THR A 69 16.200 4.283 -6.461 1.00 0.00 O ATOM 957 CG2 THR A 69 13.994 3.821 -5.603 1.00 0.00 C ATOM 0 H THR A 69 12.767 6.196 -6.816 1.00 0.00 H new ATOM 0 HA THR A 69 15.260 6.911 -5.422 1.00 0.00 H new ATOM 0 HB THR A 69 15.578 4.841 -4.575 1.00 0.00 H new ATOM 0 HG1 THR A 69 17.080 4.557 -6.129 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.314 2.833 -5.273 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.223 4.196 -4.930 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.592 3.753 -6.614 1.00 0.00 H new ATOM 965 N THR A 70 16.421 6.344 -7.875 1.00 0.00 N ATOM 966 CA THR A 70 16.796 6.559 -9.298 1.00 0.00 C ATOM 967 C THR A 70 16.553 5.286 -10.108 1.00 0.00 C ATOM 968 O THR A 70 15.452 5.029 -10.552 1.00 0.00 O ATOM 969 CB THR A 70 18.272 6.953 -9.382 1.00 0.00 C ATOM 970 OG1 THR A 70 19.013 6.220 -8.417 1.00 0.00 O ATOM 971 CG2 THR A 70 18.419 8.451 -9.111 1.00 0.00 C ATOM 0 H THR A 70 17.198 6.174 -7.236 1.00 0.00 H new ATOM 0 HA THR A 70 16.181 7.359 -9.711 1.00 0.00 H new ATOM 0 HB THR A 70 18.651 6.728 -10.379 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.959 6.471 -8.471 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.471 8.730 -9.171 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.852 9.012 -9.853 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.039 8.680 -8.115 1.00 0.00 H new ATOM 1123 N GLU A 82 18.990 3.697 -5.352 1.00 0.00 N ATOM 1124 CA GLU A 82 18.928 4.425 -4.056 1.00 0.00 C ATOM 1125 C GLU A 82 17.786 5.439 -4.108 1.00 0.00 C ATOM 1126 O GLU A 82 17.440 5.943 -5.161 1.00 0.00 O ATOM 1127 CB GLU A 82 20.251 5.160 -3.818 1.00 0.00 C ATOM 1128 CG GLU A 82 21.422 4.230 -4.144 1.00 0.00 C ATOM 1129 CD GLU A 82 21.719 4.288 -5.642 1.00 0.00 C ATOM 1130 OE1 GLU A 82 21.776 5.385 -6.174 1.00 0.00 O ATOM 1131 OE2 GLU A 82 21.885 3.233 -6.234 1.00 0.00 O ATOM 0 HA GLU A 82 18.757 3.717 -3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 82 20.299 6.053 -4.440 1.00 0.00 H new ATOM 0 HB3 GLU A 82 20.314 5.490 -2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 82 22.304 4.526 -3.576 1.00 0.00 H new ATOM 0 HG3 GLU A 82 21.181 3.208 -3.850 1.00 0.00 H new ATOM 1138 N PHE A 83 17.184 5.733 -2.983 1.00 0.00 N ATOM 1139 CA PHE A 83 16.044 6.716 -2.988 1.00 0.00 C ATOM 1140 C PHE A 83 16.430 7.985 -3.757 1.00 0.00 C ATOM 1141 O PHE A 83 15.581 8.764 -4.144 1.00 0.00 O ATOM 1142 CB PHE A 83 15.605 7.119 -1.565 1.00 0.00 C ATOM 1143 CG PHE A 83 14.861 5.962 -0.912 1.00 0.00 C ATOM 1144 CD1 PHE A 83 13.478 5.818 -1.115 1.00 0.00 C ATOM 1145 CD2 PHE A 83 15.543 5.039 -0.106 1.00 0.00 C ATOM 1146 CE1 PHE A 83 12.785 4.759 -0.513 1.00 0.00 C ATOM 1147 CE2 PHE A 83 14.847 3.983 0.495 1.00 0.00 C ATOM 1148 CZ PHE A 83 13.468 3.841 0.292 1.00 0.00 C ATOM 0 H PHE A 83 17.424 5.344 -2.071 1.00 0.00 H new ATOM 0 HA PHE A 83 15.209 6.214 -3.477 1.00 0.00 H new ATOM 0 HB2 PHE A 83 16.476 7.388 -0.967 1.00 0.00 H new ATOM 0 HB3 PHE A 83 14.964 7.999 -1.607 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.948 6.525 -1.736 1.00 0.00 H new ATOM 0 HD2 PHE A 83 16.606 5.143 0.051 1.00 0.00 H new ATOM 0 HE1 PHE A 83 11.722 4.651 -0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 83 15.375 3.276 1.117 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.934 3.025 0.756 1.00 0.00 H new ATOM 1158 N HIS A 84 17.694 8.205 -3.982 1.00 0.00 N ATOM 1159 CA HIS A 84 18.124 9.427 -4.726 1.00 0.00 C ATOM 1160 C HIS A 84 17.704 10.677 -3.945 1.00 0.00 C ATOM 1161 O HIS A 84 16.737 11.332 -4.279 1.00 0.00 O ATOM 1162 CB HIS A 84 17.466 9.443 -6.114 1.00 0.00 C ATOM 1163 CG HIS A 84 17.593 10.813 -6.723 1.00 0.00 C ATOM 1164 ND1 HIS A 84 16.602 11.358 -7.526 1.00 0.00 N ATOM 1165 CD2 HIS A 84 18.586 11.757 -6.659 1.00 0.00 C ATOM 1166 CE1 HIS A 84 17.019 12.580 -7.909 1.00 0.00 C ATOM 1167 NE2 HIS A 84 18.223 12.872 -7.408 1.00 0.00 N ATOM 0 H HIS A 84 18.452 7.591 -3.683 1.00 0.00 H new ATOM 0 HA HIS A 84 19.208 9.418 -4.840 1.00 0.00 H new ATOM 0 HB2 HIS A 84 17.939 8.703 -6.759 1.00 0.00 H new ATOM 0 HB3 HIS A 84 16.415 9.168 -6.031 1.00 0.00 H new ATOM 0 HD2 HIS A 84 19.510 11.651 -6.110 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.450 13.243 -8.544 1.00 0.00 H new ATOM 0 HE2 HIS A 84 18.760 13.728 -7.545 1.00 0.00 H new ATOM 1258 N LYS A 91 13.459 12.254 0.927 1.00 0.00 N ATOM 1259 CA LYS A 91 12.475 12.380 -0.177 1.00 0.00 C ATOM 1260 C LYS A 91 11.685 11.076 -0.276 1.00 0.00 C ATOM 1261 O LYS A 91 12.015 10.190 -1.042 1.00 0.00 O ATOM 1262 CB LYS A 91 13.210 12.637 -1.493 1.00 0.00 C ATOM 1263 CG LYS A 91 12.681 13.923 -2.129 1.00 0.00 C ATOM 1264 CD LYS A 91 13.857 14.808 -2.550 1.00 0.00 C ATOM 1265 CE LYS A 91 13.355 15.907 -3.489 1.00 0.00 C ATOM 1266 NZ LYS A 91 12.741 15.283 -4.695 1.00 0.00 N ATOM 0 HA LYS A 91 11.798 13.212 0.019 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.282 12.722 -1.313 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.066 11.797 -2.172 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.063 13.685 -2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.046 14.456 -1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.326 15.251 -1.671 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.618 14.208 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.624 16.532 -2.977 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.180 16.556 -3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.046 15.798 -5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.043 14.290 -4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.705 15.325 -4.618 1.00 0.00 H new ATOM 1280 N TYR A 92 10.635 10.958 0.484 1.00 0.00 N ATOM 1281 CA TYR A 92 9.805 9.711 0.429 1.00 0.00 C ATOM 1282 C TYR A 92 8.329 10.101 0.415 1.00 0.00 C ATOM 1283 O TYR A 92 7.967 11.175 -0.025 1.00 0.00 O ATOM 1284 CB TYR A 92 10.084 8.783 1.631 1.00 0.00 C ATOM 1285 CG TYR A 92 11.595 8.587 1.790 1.00 0.00 C ATOM 1286 CD1 TYR A 92 12.433 9.677 2.102 1.00 0.00 C ATOM 1287 CD2 TYR A 92 12.169 7.310 1.626 1.00 0.00 C ATOM 1288 CE1 TYR A 92 13.811 9.488 2.245 1.00 0.00 C ATOM 1289 CE2 TYR A 92 13.549 7.133 1.771 1.00 0.00 C ATOM 1290 CZ TYR A 92 14.369 8.219 2.080 1.00 0.00 C ATOM 1291 OH TYR A 92 15.730 8.039 2.223 1.00 0.00 O ATOM 0 H TYR A 92 10.311 11.666 1.142 1.00 0.00 H new ATOM 0 HA TYR A 92 10.066 9.164 -0.477 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.665 9.214 2.541 1.00 0.00 H new ATOM 0 HB3 TYR A 92 9.596 7.820 1.481 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.009 10.662 2.231 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.541 6.465 1.387 1.00 0.00 H new ATOM 0 HE1 TYR A 92 14.447 10.328 2.484 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.982 6.152 1.643 1.00 0.00 H new ATOM 0 HH TYR A 92 15.952 7.096 2.077 1.00 0.00 H new ATOM 1301 N THR A 93 7.469 9.245 0.888 1.00 0.00 N ATOM 1302 CA THR A 93 6.020 9.588 0.889 1.00 0.00 C ATOM 1303 C THR A 93 5.231 8.556 1.699 1.00 0.00 C ATOM 1304 O THR A 93 5.430 7.359 1.577 1.00 0.00 O ATOM 1305 CB THR A 93 5.501 9.605 -0.550 1.00 0.00 C ATOM 1306 OG1 THR A 93 6.598 9.533 -1.449 1.00 0.00 O ATOM 1307 CG2 THR A 93 4.720 10.898 -0.796 1.00 0.00 C ATOM 0 H THR A 93 7.703 8.329 1.271 1.00 0.00 H new ATOM 0 HA THR A 93 5.890 10.571 1.342 1.00 0.00 H new ATOM 0 HB THR A 93 4.844 8.750 -0.710 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.266 9.543 -2.371 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.350 10.910 -1.821 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.878 10.951 -0.106 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.375 11.755 -0.636 1.00 0.00 H new ATOM 1315 N THR A 94 4.322 9.018 2.513 1.00 0.00 N ATOM 1316 CA THR A 94 3.496 8.084 3.323 1.00 0.00 C ATOM 1317 C THR A 94 2.186 7.820 2.575 1.00 0.00 C ATOM 1318 O THR A 94 1.709 8.661 1.839 1.00 0.00 O ATOM 1319 CB THR A 94 3.208 8.722 4.692 1.00 0.00 C ATOM 1320 OG1 THR A 94 2.799 7.712 5.604 1.00 0.00 O ATOM 1321 CG2 THR A 94 2.100 9.770 4.558 1.00 0.00 C ATOM 0 H THR A 94 4.116 10.007 2.651 1.00 0.00 H new ATOM 0 HA THR A 94 4.023 7.142 3.477 1.00 0.00 H new ATOM 0 HB THR A 94 4.112 9.206 5.061 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.932 6.830 5.197 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.902 10.217 5.532 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.415 10.546 3.860 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.192 9.294 4.186 1.00 0.00 H new ATOM 1329 N CYS A 95 1.588 6.672 2.755 1.00 0.00 N ATOM 1330 CA CYS A 95 0.304 6.399 2.037 1.00 0.00 C ATOM 1331 C CYS A 95 -0.482 5.346 2.818 1.00 0.00 C ATOM 1332 O CYS A 95 0.018 4.282 3.112 1.00 0.00 O ATOM 1333 CB CYS A 95 0.586 5.886 0.614 1.00 0.00 C ATOM 1334 SG CYS A 95 -0.971 5.749 -0.296 1.00 0.00 S ATOM 0 H CYS A 95 1.925 5.921 3.358 1.00 0.00 H new ATOM 0 HA CYS A 95 -0.274 7.320 1.965 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.263 6.567 0.098 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.081 4.916 0.657 1.00 0.00 H new ATOM 1339 N THR A 96 -1.706 5.637 3.173 1.00 0.00 N ATOM 1340 CA THR A 96 -2.503 4.644 3.958 1.00 0.00 C ATOM 1341 C THR A 96 -3.476 3.891 3.045 1.00 0.00 C ATOM 1342 O THR A 96 -4.352 4.475 2.438 1.00 0.00 O ATOM 1343 CB THR A 96 -3.287 5.367 5.060 1.00 0.00 C ATOM 1344 OG1 THR A 96 -2.405 6.206 5.792 1.00 0.00 O ATOM 1345 CG2 THR A 96 -3.911 4.337 6.003 1.00 0.00 C ATOM 0 H THR A 96 -2.186 6.510 2.957 1.00 0.00 H new ATOM 0 HA THR A 96 -1.818 3.925 4.407 1.00 0.00 H new ATOM 0 HB THR A 96 -4.075 5.970 4.610 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.904 6.671 6.496 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.468 4.851 6.786 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.586 3.692 5.441 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.124 3.733 6.455 1.00 0.00 H new ATOM 1353 N PHE A 97 -3.339 2.593 2.955 1.00 0.00 N ATOM 1354 CA PHE A 97 -4.271 1.807 2.082 1.00 0.00 C ATOM 1355 C PHE A 97 -5.580 1.560 2.822 1.00 0.00 C ATOM 1356 O PHE A 97 -5.586 1.296 4.007 1.00 0.00 O ATOM 1357 CB PHE A 97 -3.683 0.430 1.734 1.00 0.00 C ATOM 1358 CG PHE A 97 -2.301 0.544 1.140 1.00 0.00 C ATOM 1359 CD1 PHE A 97 -1.730 1.793 0.881 1.00 0.00 C ATOM 1360 CD2 PHE A 97 -1.592 -0.627 0.843 1.00 0.00 C ATOM 1361 CE1 PHE A 97 -0.446 1.870 0.327 1.00 0.00 C ATOM 1362 CE2 PHE A 97 -0.312 -0.550 0.291 1.00 0.00 C ATOM 1363 CZ PHE A 97 0.263 0.698 0.030 1.00 0.00 C ATOM 0 H PHE A 97 -2.630 2.045 3.442 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.428 2.385 1.171 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.643 -0.185 2.633 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.341 -0.078 1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.277 2.696 1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.036 -1.591 1.041 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.001 2.834 0.128 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.234 -1.454 0.066 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.252 0.758 -0.400 1.00 0.00 H new ATOM 1373 N VAL A 98 -6.692 1.599 2.141 1.00 0.00 N ATOM 1374 CA VAL A 98 -7.970 1.312 2.837 1.00 0.00 C ATOM 1375 C VAL A 98 -8.729 0.263 2.015 1.00 0.00 C ATOM 1376 O VAL A 98 -9.270 0.558 0.968 1.00 0.00 O ATOM 1377 CB VAL A 98 -8.801 2.592 2.964 1.00 0.00 C ATOM 1378 CG1 VAL A 98 -10.015 2.322 3.858 1.00 0.00 C ATOM 1379 CG2 VAL A 98 -7.944 3.694 3.589 1.00 0.00 C ATOM 0 H VAL A 98 -6.768 1.814 1.147 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.778 0.936 3.842 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.138 2.909 1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.608 3.232 3.950 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.625 1.534 3.416 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.677 2.008 4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.534 4.606 3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.609 3.378 4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.077 3.884 2.956 1.00 0.00 H new ATOM 1389 N VAL A 99 -8.740 -0.964 2.461 1.00 0.00 N ATOM 1390 CA VAL A 99 -9.428 -2.036 1.682 1.00 0.00 C ATOM 1391 C VAL A 99 -10.853 -2.245 2.194 1.00 0.00 C ATOM 1392 O VAL A 99 -11.230 -1.769 3.244 1.00 0.00 O ATOM 1393 CB VAL A 99 -8.650 -3.343 1.831 1.00 0.00 C ATOM 1394 CG1 VAL A 99 -8.945 -4.250 0.635 1.00 0.00 C ATOM 1395 CG2 VAL A 99 -7.151 -3.042 1.885 1.00 0.00 C ATOM 0 H VAL A 99 -8.303 -1.271 3.330 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.469 -1.735 0.635 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.953 -3.843 2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.391 -5.183 0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -10.013 -4.465 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.642 -3.750 -0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.596 -3.974 1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.847 -2.542 0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.940 -2.395 2.737 1.00 0.00 H new ATOM 1405 N TYR A 100 -11.643 -2.972 1.454 1.00 0.00 N ATOM 1406 CA TYR A 100 -13.038 -3.242 1.883 1.00 0.00 C ATOM 1407 C TYR A 100 -13.273 -4.751 1.788 1.00 0.00 C ATOM 1408 O TYR A 100 -12.661 -5.420 0.980 1.00 0.00 O ATOM 1409 CB TYR A 100 -13.996 -2.493 0.970 1.00 0.00 C ATOM 1410 CG TYR A 100 -15.249 -2.084 1.780 1.00 0.00 C ATOM 1411 CD1 TYR A 100 -15.127 -1.588 3.100 1.00 0.00 C ATOM 1412 CD2 TYR A 100 -16.545 -2.205 1.225 1.00 0.00 C ATOM 1413 CE1 TYR A 100 -16.263 -1.225 3.831 1.00 0.00 C ATOM 1414 CE2 TYR A 100 -17.672 -1.838 1.969 1.00 0.00 C ATOM 1415 CZ TYR A 100 -17.531 -1.347 3.266 1.00 0.00 C ATOM 1416 OH TYR A 100 -18.647 -0.988 3.994 1.00 0.00 O ATOM 0 H TYR A 100 -11.377 -3.393 0.564 1.00 0.00 H new ATOM 0 HA TYR A 100 -13.206 -2.907 2.906 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.509 -1.609 0.558 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -14.282 -3.122 0.127 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -14.149 -1.489 3.547 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -16.665 -2.583 0.221 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -16.157 -0.849 4.838 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -18.657 -1.936 1.536 1.00 0.00 H new ATOM 0 HH TYR A 100 -19.451 -1.134 3.453 1.00 0.00 H new ATOM 1426 N SER A 101 -14.120 -5.313 2.607 1.00 0.00 N ATOM 1427 CA SER A 101 -14.320 -6.786 2.525 1.00 0.00 C ATOM 1428 C SER A 101 -15.719 -7.181 2.994 1.00 0.00 C ATOM 1429 O SER A 101 -15.964 -7.337 4.176 1.00 0.00 O ATOM 1430 CB SER A 101 -13.281 -7.478 3.407 1.00 0.00 C ATOM 1431 OG SER A 101 -13.359 -8.883 3.221 1.00 0.00 O ATOM 0 H SER A 101 -14.671 -4.828 3.315 1.00 0.00 H new ATOM 0 HA SER A 101 -14.207 -7.094 1.485 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.282 -7.123 3.156 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.454 -7.229 4.454 1.00 0.00 H new ATOM 0 HG SER A 101 -12.691 -9.325 3.786 1.00 0.00 H new ATOM 1437 N ILE A 102 -16.638 -7.374 2.081 1.00 0.00 N ATOM 1438 CA ILE A 102 -18.003 -7.797 2.502 1.00 0.00 C ATOM 1439 C ILE A 102 -18.684 -8.541 1.344 1.00 0.00 C ATOM 1440 O ILE A 102 -19.186 -7.912 0.429 1.00 0.00 O ATOM 1441 CB ILE A 102 -18.875 -6.597 2.870 1.00 0.00 C ATOM 1442 CG1 ILE A 102 -18.035 -5.318 2.939 1.00 0.00 C ATOM 1443 CG2 ILE A 102 -19.556 -6.863 4.228 1.00 0.00 C ATOM 1444 CD1 ILE A 102 -17.564 -4.949 1.533 1.00 0.00 C ATOM 0 H ILE A 102 -16.503 -7.258 1.077 1.00 0.00 H new ATOM 0 HA ILE A 102 -17.896 -8.439 3.376 1.00 0.00 H new ATOM 0 HB ILE A 102 -19.635 -6.459 2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -18.624 -4.505 3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -17.178 -5.467 3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -20.180 -6.010 4.496 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -20.176 -7.757 4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -18.795 -7.011 4.994 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -16.966 -4.039 1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -16.961 -5.761 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -18.429 -4.784 0.891 1.00 0.00 H new ATOM 1456 N PRO A 103 -18.701 -9.850 1.409 1.00 0.00 N ATOM 1457 CA PRO A 103 -19.341 -10.707 0.369 1.00 0.00 C ATOM 1458 C PRO A 103 -20.833 -10.870 0.695 1.00 0.00 C ATOM 1459 O PRO A 103 -21.598 -11.411 -0.080 1.00 0.00 O ATOM 1460 CB PRO A 103 -18.602 -12.030 0.521 1.00 0.00 C ATOM 1461 CG PRO A 103 -18.051 -12.081 1.944 1.00 0.00 C ATOM 1462 CD PRO A 103 -18.094 -10.660 2.517 1.00 0.00 C ATOM 0 HA PRO A 103 -19.284 -10.306 -0.643 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.274 -12.869 0.339 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -17.794 -12.105 -0.207 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -18.644 -12.758 2.559 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -17.030 -12.462 1.944 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -18.696 -10.612 3.425 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.098 -10.302 2.776 1.00 0.00 H new ATOM 1470 N TRP A 104 -21.235 -10.438 1.867 1.00 0.00 N ATOM 1471 CA TRP A 104 -22.681 -10.606 2.284 1.00 0.00 C ATOM 1472 C TRP A 104 -23.644 -9.628 1.597 1.00 0.00 C ATOM 1473 O TRP A 104 -24.843 -9.801 1.676 1.00 0.00 O ATOM 1474 CB TRP A 104 -22.826 -10.480 3.813 1.00 0.00 C ATOM 1475 CG TRP A 104 -23.170 -9.082 4.291 1.00 0.00 C ATOM 1476 CD1 TRP A 104 -23.991 -8.864 5.338 1.00 0.00 C ATOM 1477 CD2 TRP A 104 -22.751 -7.731 3.834 1.00 0.00 C ATOM 1478 NE1 TRP A 104 -24.084 -7.518 5.575 1.00 0.00 N ATOM 1479 CE2 TRP A 104 -23.352 -6.778 4.693 1.00 0.00 C ATOM 1480 CE3 TRP A 104 -21.929 -7.224 2.806 1.00 0.00 C ATOM 1481 CZ2 TRP A 104 -23.147 -5.409 4.549 1.00 0.00 C ATOM 1482 CZ3 TRP A 104 -21.729 -5.830 2.659 1.00 0.00 C ATOM 1483 CH2 TRP A 104 -22.334 -4.931 3.535 1.00 0.00 C ATOM 0 H TRP A 104 -20.637 -9.979 2.554 1.00 0.00 H new ATOM 0 HA TRP A 104 -22.963 -11.608 1.959 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -23.600 -11.169 4.151 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -21.893 -10.793 4.282 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -24.498 -9.632 5.903 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -24.640 -7.113 6.328 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -21.446 -7.907 2.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -23.623 -4.718 5.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -21.102 -5.460 1.861 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -22.170 -3.869 3.424 1.00 0.00 H new ATOM 1494 N LEU A 105 -23.176 -8.615 0.934 1.00 0.00 N ATOM 1495 CA LEU A 105 -24.110 -7.687 0.286 1.00 0.00 C ATOM 1496 C LEU A 105 -23.385 -6.962 -0.856 1.00 0.00 C ATOM 1497 O LEU A 105 -23.796 -5.899 -1.276 1.00 0.00 O ATOM 1498 CB LEU A 105 -24.593 -6.662 1.309 1.00 0.00 C ATOM 1499 CG LEU A 105 -25.482 -7.315 2.384 1.00 0.00 C ATOM 1500 CD1 LEU A 105 -25.887 -6.255 3.397 1.00 0.00 C ATOM 1501 CD2 LEU A 105 -26.735 -7.899 1.728 1.00 0.00 C ATOM 0 H LEU A 105 -22.187 -8.396 0.817 1.00 0.00 H new ATOM 0 HA LEU A 105 -24.963 -8.238 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -23.734 -6.188 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -25.152 -5.875 0.802 1.00 0.00 H new ATOM 0 HG LEU A 105 -24.933 -8.114 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -26.517 -6.706 4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -24.994 -5.836 3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -26.440 -5.462 2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -27.363 -8.361 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -27.291 -7.103 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -26.445 -8.650 0.993 1.00 0.00 H new ATOM 1513 N ASN A 106 -22.316 -7.532 -1.378 1.00 0.00 N ATOM 1514 CA ASN A 106 -21.591 -6.879 -2.491 1.00 0.00 C ATOM 1515 C ASN A 106 -20.358 -7.694 -2.854 1.00 0.00 C ATOM 1516 O ASN A 106 -20.375 -8.470 -3.785 1.00 0.00 O ATOM 1517 CB ASN A 106 -21.193 -5.428 -2.133 1.00 0.00 C ATOM 1518 CG ASN A 106 -20.786 -4.693 -3.412 1.00 0.00 C ATOM 1519 OD1 ASN A 106 -19.697 -4.163 -3.503 1.00 0.00 O ATOM 1520 ND2 ASN A 106 -21.624 -4.637 -4.412 1.00 0.00 N ATOM 0 H ASN A 106 -21.925 -8.423 -1.071 1.00 0.00 H new ATOM 0 HA ASN A 106 -22.258 -6.835 -3.352 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -22.028 -4.916 -1.654 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -20.368 -5.429 -1.420 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -21.364 -4.148 -5.269 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -22.539 -5.082 -4.336 1.00 0.00 H new ATOM 1527 N GLN A 107 -19.309 -7.511 -2.119 1.00 0.00 N ATOM 1528 CA GLN A 107 -18.018 -8.242 -2.381 1.00 0.00 C ATOM 1529 C GLN A 107 -16.865 -7.526 -1.663 1.00 0.00 C ATOM 1530 O GLN A 107 -17.062 -6.634 -0.860 1.00 0.00 O ATOM 1531 CB GLN A 107 -17.722 -8.248 -3.890 1.00 0.00 C ATOM 1532 CG GLN A 107 -16.859 -9.461 -4.245 1.00 0.00 C ATOM 1533 CD GLN A 107 -17.576 -10.305 -5.303 1.00 0.00 C ATOM 1534 OE1 GLN A 107 -18.744 -10.103 -5.569 1.00 0.00 O ATOM 1535 NE2 GLN A 107 -16.920 -11.248 -5.922 1.00 0.00 N ATOM 0 H GLN A 107 -19.276 -6.873 -1.324 1.00 0.00 H new ATOM 0 HA GLN A 107 -18.111 -9.264 -2.014 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -18.655 -8.277 -4.453 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -17.208 -7.329 -4.173 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -15.890 -9.134 -4.621 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -16.670 -10.059 -3.354 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.939 -11.418 -5.699 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -17.388 -11.815 -6.629 1.00 0.00 H new ATOM 1544 N ILE A 108 -15.656 -7.909 -1.964 1.00 0.00 N ATOM 1545 CA ILE A 108 -14.478 -7.238 -1.347 1.00 0.00 C ATOM 1546 C ILE A 108 -14.042 -6.119 -2.299 1.00 0.00 C ATOM 1547 O ILE A 108 -14.160 -6.253 -3.501 1.00 0.00 O ATOM 1548 CB ILE A 108 -13.338 -8.250 -1.174 1.00 0.00 C ATOM 1549 CG1 ILE A 108 -12.229 -7.635 -0.319 1.00 0.00 C ATOM 1550 CG2 ILE A 108 -12.775 -8.618 -2.548 1.00 0.00 C ATOM 1551 CD1 ILE A 108 -11.021 -8.574 -0.300 1.00 0.00 C ATOM 0 H ILE A 108 -15.432 -8.662 -2.614 1.00 0.00 H new ATOM 0 HA ILE A 108 -14.730 -6.834 -0.366 1.00 0.00 H new ATOM 0 HB ILE A 108 -13.719 -9.145 -0.682 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.942 -6.663 -0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -12.588 -7.467 0.696 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -11.965 -9.337 -2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -13.564 -9.058 -3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -12.395 -7.721 -3.038 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -10.230 -8.137 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -11.314 -9.535 0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -10.657 -8.720 -1.317 1.00 0.00 H new ATOM 1563 N LYS A 109 -13.568 -5.011 -1.798 1.00 0.00 N ATOM 1564 CA LYS A 109 -13.173 -3.911 -2.727 1.00 0.00 C ATOM 1565 C LYS A 109 -11.864 -3.254 -2.285 1.00 0.00 C ATOM 1566 O LYS A 109 -11.166 -3.737 -1.414 1.00 0.00 O ATOM 1567 CB LYS A 109 -14.279 -2.856 -2.755 1.00 0.00 C ATOM 1568 CG LYS A 109 -15.182 -3.093 -3.967 1.00 0.00 C ATOM 1569 CD LYS A 109 -16.024 -1.842 -4.227 1.00 0.00 C ATOM 1570 CE LYS A 109 -16.555 -1.876 -5.661 1.00 0.00 C ATOM 1571 NZ LYS A 109 -18.040 -1.749 -5.643 1.00 0.00 N ATOM 0 H LYS A 109 -13.438 -4.820 -0.805 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.026 -4.337 -3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.865 -2.904 -1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.843 -1.858 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -14.578 -3.327 -4.844 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.831 -3.951 -3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -16.853 -1.795 -3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -15.422 -0.946 -4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -16.117 -1.064 -6.242 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.265 -2.808 -6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -18.402 -1.772 -6.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -18.449 -2.538 -5.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -18.306 -0.848 -5.196 1.00 0.00 H new ATOM 1585 N LEU A 110 -11.535 -2.144 -2.895 1.00 0.00 N ATOM 1586 CA LEU A 110 -10.292 -1.420 -2.551 1.00 0.00 C ATOM 1587 C LEU A 110 -10.590 0.082 -2.562 1.00 0.00 C ATOM 1588 O LEU A 110 -10.396 0.751 -3.558 1.00 0.00 O ATOM 1589 CB LEU A 110 -9.228 -1.719 -3.607 1.00 0.00 C ATOM 1590 CG LEU A 110 -7.919 -0.987 -3.267 1.00 0.00 C ATOM 1591 CD1 LEU A 110 -7.663 -1.047 -1.757 1.00 0.00 C ATOM 1592 CD2 LEU A 110 -6.758 -1.656 -4.003 1.00 0.00 C ATOM 0 H LEU A 110 -12.092 -1.707 -3.630 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.935 -1.732 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.049 -2.793 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.583 -1.407 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.001 0.055 -3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.734 -0.526 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.488 -0.570 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.584 -2.088 -1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.829 -1.139 -3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.683 -2.698 -3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.933 -1.609 -5.078 1.00 0.00 H new ATOM 1604 N LEU A 111 -11.075 0.602 -1.471 1.00 0.00 N ATOM 1605 CA LEU A 111 -11.412 2.050 -1.389 1.00 0.00 C ATOM 1606 C LEU A 111 -10.389 2.862 -2.175 1.00 0.00 C ATOM 1607 O LEU A 111 -10.694 3.415 -3.213 1.00 0.00 O ATOM 1608 CB LEU A 111 -11.396 2.493 0.076 1.00 0.00 C ATOM 1609 CG LEU A 111 -12.183 3.796 0.226 1.00 0.00 C ATOM 1610 CD1 LEU A 111 -13.681 3.505 0.123 1.00 0.00 C ATOM 1611 CD2 LEU A 111 -11.879 4.419 1.591 1.00 0.00 C ATOM 0 H LEU A 111 -11.256 0.075 -0.617 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.403 2.214 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.833 1.718 0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.369 2.636 0.412 1.00 0.00 H new ATOM 0 HG LEU A 111 -11.893 4.488 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.240 4.434 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -13.899 3.060 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -13.972 2.813 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -12.439 5.348 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -12.169 3.726 2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.812 4.628 1.666 1.00 0.00 H new ATOM 1623 N GLU A 112 -9.174 2.912 -1.705 1.00 0.00 N ATOM 1624 CA GLU A 112 -8.120 3.680 -2.453 1.00 0.00 C ATOM 1625 C GLU A 112 -6.924 3.943 -1.545 1.00 0.00 C ATOM 1626 O GLU A 112 -6.999 3.804 -0.341 1.00 0.00 O ATOM 1627 CB GLU A 112 -8.654 5.031 -2.965 1.00 0.00 C ATOM 1628 CG GLU A 112 -8.413 5.128 -4.474 1.00 0.00 C ATOM 1629 CD GLU A 112 -8.704 6.555 -4.943 1.00 0.00 C ATOM 1630 OE1 GLU A 112 -8.870 7.415 -4.094 1.00 0.00 O ATOM 1631 OE2 GLU A 112 -8.755 6.764 -6.145 1.00 0.00 O ATOM 0 H GLU A 112 -8.860 2.462 -0.845 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.824 3.074 -3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.718 5.121 -2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.154 5.852 -2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.383 4.860 -4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -9.054 4.422 -5.002 1.00 0.00 H new ATOM 1638 N SER A 113 -5.820 4.338 -2.117 1.00 0.00 N ATOM 1639 CA SER A 113 -4.621 4.628 -1.291 1.00 0.00 C ATOM 1640 C SER A 113 -4.799 5.996 -0.634 1.00 0.00 C ATOM 1641 O SER A 113 -5.505 6.848 -1.137 1.00 0.00 O ATOM 1642 CB SER A 113 -3.376 4.640 -2.181 1.00 0.00 C ATOM 1643 OG SER A 113 -3.129 5.965 -2.628 1.00 0.00 O ATOM 0 H SER A 113 -5.699 4.472 -3.121 1.00 0.00 H new ATOM 0 HA SER A 113 -4.501 3.862 -0.525 1.00 0.00 H new ATOM 0 HB2 SER A 113 -2.516 4.265 -1.627 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.519 3.977 -3.034 1.00 0.00 H new ATOM 0 HG SER A 113 -2.502 6.405 -2.017 1.00 0.00 H new ATOM 1649 N LYS A 114 -4.165 6.216 0.480 1.00 0.00 N ATOM 1650 CA LYS A 114 -4.300 7.530 1.164 1.00 0.00 C ATOM 1651 C LYS A 114 -2.926 8.187 1.248 1.00 0.00 C ATOM 1652 O LYS A 114 -2.409 8.439 2.319 1.00 0.00 O ATOM 1653 CB LYS A 114 -4.855 7.318 2.574 1.00 0.00 C ATOM 1654 CG LYS A 114 -5.800 8.469 2.927 1.00 0.00 C ATOM 1655 CD LYS A 114 -7.152 8.243 2.247 1.00 0.00 C ATOM 1656 CE LYS A 114 -8.121 9.351 2.660 1.00 0.00 C ATOM 1657 NZ LYS A 114 -9.193 9.480 1.633 1.00 0.00 N ATOM 0 H LYS A 114 -3.558 5.543 0.948 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.981 8.171 0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.386 6.367 2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.039 7.269 3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -5.930 8.529 4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -5.372 9.418 2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.030 8.237 1.164 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.554 7.270 2.528 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.559 9.123 3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.587 10.296 2.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.853 10.234 1.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.767 9.716 0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.708 8.580 1.554 1.00 0.00 H new ATOM 1671 N CYS A 115 -2.325 8.461 0.124 1.00 0.00 N ATOM 1672 CA CYS A 115 -0.968 9.099 0.151 1.00 0.00 C ATOM 1673 C CYS A 115 -1.105 10.613 -0.007 1.00 0.00 C ATOM 1674 O CYS A 115 -1.892 11.097 -0.795 1.00 0.00 O ATOM 1675 CB CYS A 115 -0.048 8.554 -0.962 1.00 0.00 C ATOM 1676 SG CYS A 115 -0.798 7.116 -1.775 1.00 0.00 S ATOM 0 H CYS A 115 -2.704 8.276 -0.804 1.00 0.00 H new ATOM 0 HA CYS A 115 -0.514 8.857 1.112 1.00 0.00 H new ATOM 0 HB2 CYS A 115 0.141 9.335 -1.698 1.00 0.00 H new ATOM 0 HB3 CYS A 115 0.917 8.275 -0.538 1.00 0.00 H new ATOM 1681 N GLN A 116 -0.337 11.364 0.737 1.00 0.00 N ATOM 1682 CA GLN A 116 -0.416 12.849 0.626 1.00 0.00 C ATOM 1683 C GLN A 116 0.799 13.476 1.310 1.00 0.00 C ATOM 1684 CB GLN A 116 -1.696 13.345 1.302 1.00 0.00 C ATOM 1685 CG GLN A 116 -1.835 14.852 1.080 1.00 0.00 C ATOM 1686 CD GLN A 116 -3.141 15.141 0.335 1.00 0.00 C ATOM 1687 OE1 GLN A 116 -3.581 14.348 -0.475 1.00 0.00 O ATOM 1688 NE2 GLN A 116 -3.786 16.252 0.576 1.00 0.00 N ATOM 0 H GLN A 116 0.340 11.014 1.415 1.00 0.00 H new ATOM 0 HA GLN A 116 -0.428 13.134 -0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -2.562 12.824 0.893 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -1.666 13.124 2.369 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -1.827 15.373 2.037 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -0.987 15.225 0.507 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -3.418 16.918 1.255 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -4.657 16.453 0.085 1.00 0.00 H new