USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 516 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 NoAdj-H: A 24 HIS HD1 : A 24 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HD1 : A 48 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD NoAdj-H: A 51 HIS HD1 : A 51 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 44 MET CE :methyl -172:sc= -1.31 (180deg=-1.56) USER MOD Set 1.2: A 53 THR OG1 : rot 100:sc= -0.702 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.183 K(o=-0.18,f=-2.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 153:sc= 0 (180deg=-0.332) USER MOD Single : A 33 GLN : amide:sc= -0.0485 X(o=-0.049,f=-0.19) USER MOD Single : A 34 THR OG1 : rot -140:sc= -0.269 USER MOD Single : A 36 GLN : amide:sc= -1.88! K(o=-1.9!,f=-0.031) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.754 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1.63! K(o=-1.6!,f=-0.035) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.899 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00424) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 45.846 24.027 -13.309 1.00 0.00 N ATOM 2 CA GLY A 1 46.143 23.965 -11.889 1.00 0.00 C ATOM 3 C GLY A 1 45.097 23.192 -11.111 1.00 0.00 C ATOM 4 O GLY A 1 45.087 21.961 -11.125 1.00 0.00 O ATOM 0 H1 GLY A 1 46.590 24.566 -13.796 1.00 0.00 H new ATOM 0 H2 GLY A 1 45.805 23.063 -13.698 1.00 0.00 H new ATOM 0 H3 GLY A 1 44.929 24.497 -13.452 1.00 0.00 H new ATOM 0 HA2 GLY A 1 47.117 23.498 -11.745 1.00 0.00 H new ATOM 0 HA3 GLY A 1 46.213 24.977 -11.491 1.00 0.00 H new ATOM 8 N SER A 2 44.214 23.915 -10.430 1.00 0.00 N ATOM 9 CA SER A 2 43.162 23.289 -9.638 1.00 0.00 C ATOM 10 C SER A 2 42.149 24.327 -9.163 1.00 0.00 C ATOM 11 O SER A 2 42.513 25.448 -8.807 1.00 0.00 O ATOM 12 CB SER A 2 43.764 22.560 -8.436 1.00 0.00 C ATOM 13 OG SER A 2 44.392 23.471 -7.549 1.00 0.00 O ATOM 0 H SER A 2 44.206 24.935 -10.411 1.00 0.00 H new ATOM 0 HA SER A 2 42.647 22.566 -10.271 1.00 0.00 H new ATOM 0 HB2 SER A 2 42.982 22.015 -7.908 1.00 0.00 H new ATOM 0 HB3 SER A 2 44.490 21.823 -8.780 1.00 0.00 H new ATOM 0 HG SER A 2 44.767 22.981 -6.788 1.00 0.00 H new ATOM 19 N SER A 3 40.876 23.945 -9.161 1.00 0.00 N ATOM 20 CA SER A 3 39.809 24.842 -8.733 1.00 0.00 C ATOM 21 C SER A 3 40.155 25.502 -7.402 1.00 0.00 C ATOM 22 O SER A 3 39.996 26.711 -7.236 1.00 0.00 O ATOM 23 CB SER A 3 38.490 24.078 -8.609 1.00 0.00 C ATOM 24 OG SER A 3 37.837 23.979 -9.863 1.00 0.00 O ATOM 0 H SER A 3 40.558 23.020 -9.451 1.00 0.00 H new ATOM 0 HA SER A 3 39.699 25.621 -9.487 1.00 0.00 H new ATOM 0 HB2 SER A 3 38.680 23.080 -8.215 1.00 0.00 H new ATOM 0 HB3 SER A 3 37.839 24.584 -7.896 1.00 0.00 H new ATOM 0 HG SER A 3 36.997 23.485 -9.757 1.00 0.00 H new ATOM 30 N GLY A 4 40.631 24.698 -6.456 1.00 0.00 N ATOM 31 CA GLY A 4 40.992 25.221 -5.151 1.00 0.00 C ATOM 32 C GLY A 4 39.885 25.048 -4.130 1.00 0.00 C ATOM 33 O GLY A 4 39.911 24.114 -3.329 1.00 0.00 O ATOM 0 H GLY A 4 40.773 23.694 -6.570 1.00 0.00 H new ATOM 0 HA2 GLY A 4 41.891 24.716 -4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 4 41.236 26.279 -5.242 1.00 0.00 H new ATOM 37 N SER A 5 38.910 25.951 -4.158 1.00 0.00 N ATOM 38 CA SER A 5 37.791 25.898 -3.224 1.00 0.00 C ATOM 39 C SER A 5 36.986 24.616 -3.414 1.00 0.00 C ATOM 40 O SER A 5 36.441 24.366 -4.489 1.00 0.00 O ATOM 41 CB SER A 5 36.885 27.116 -3.412 1.00 0.00 C ATOM 42 OG SER A 5 37.504 28.293 -2.923 1.00 0.00 O ATOM 0 H SER A 5 38.872 26.728 -4.817 1.00 0.00 H new ATOM 0 HA SER A 5 38.193 25.907 -2.211 1.00 0.00 H new ATOM 0 HB2 SER A 5 36.649 27.238 -4.469 1.00 0.00 H new ATOM 0 HB3 SER A 5 35.941 26.955 -2.891 1.00 0.00 H new ATOM 0 HG SER A 5 36.905 29.057 -3.057 1.00 0.00 H new ATOM 48 N SER A 6 36.916 23.807 -2.362 1.00 0.00 N ATOM 49 CA SER A 6 36.181 22.548 -2.413 1.00 0.00 C ATOM 50 C SER A 6 36.058 21.935 -1.022 1.00 0.00 C ATOM 51 O SER A 6 37.038 21.454 -0.454 1.00 0.00 O ATOM 52 CB SER A 6 36.876 21.565 -3.357 1.00 0.00 C ATOM 53 OG SER A 6 35.980 20.560 -3.796 1.00 0.00 O ATOM 0 H SER A 6 37.359 24.001 -1.464 1.00 0.00 H new ATOM 0 HA SER A 6 35.179 22.755 -2.790 1.00 0.00 H new ATOM 0 HB2 SER A 6 37.275 22.102 -4.218 1.00 0.00 H new ATOM 0 HB3 SER A 6 37.723 21.105 -2.848 1.00 0.00 H new ATOM 0 HG SER A 6 36.448 19.945 -4.399 1.00 0.00 H new ATOM 59 N GLY A 7 34.845 21.956 -0.478 1.00 0.00 N ATOM 60 CA GLY A 7 34.614 21.399 0.842 1.00 0.00 C ATOM 61 C GLY A 7 33.910 20.058 0.791 1.00 0.00 C ATOM 62 O GLY A 7 33.173 19.773 -0.152 1.00 0.00 O ATOM 0 H GLY A 7 34.018 22.349 -0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 7 35.568 21.286 1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 7 34.017 22.097 1.428 1.00 0.00 H new ATOM 66 N GLN A 8 34.138 19.232 1.808 1.00 0.00 N ATOM 67 CA GLN A 8 33.521 17.913 1.873 1.00 0.00 C ATOM 68 C GLN A 8 32.188 17.971 2.612 1.00 0.00 C ATOM 69 O GLN A 8 31.945 17.195 3.538 1.00 0.00 O ATOM 70 CB GLN A 8 34.458 16.922 2.564 1.00 0.00 C ATOM 71 CG GLN A 8 34.040 15.470 2.397 1.00 0.00 C ATOM 72 CD GLN A 8 34.451 14.605 3.571 1.00 0.00 C ATOM 73 OE1 GLN A 8 34.913 15.108 4.596 1.00 0.00 O ATOM 74 NE2 GLN A 8 34.285 13.295 3.429 1.00 0.00 N ATOM 0 H GLN A 8 34.745 19.453 2.597 1.00 0.00 H new ATOM 0 HA GLN A 8 33.336 17.576 0.853 1.00 0.00 H new ATOM 0 HB2 GLN A 8 35.465 17.049 2.166 1.00 0.00 H new ATOM 0 HB3 GLN A 8 34.503 17.158 3.627 1.00 0.00 H new ATOM 0 HG2 GLN A 8 32.958 15.419 2.275 1.00 0.00 H new ATOM 0 HG3 GLN A 8 34.483 15.071 1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 8 33.899 12.921 2.562 1.00 0.00 H new ATOM 0 HE22 GLN A 8 34.544 12.663 4.187 1.00 0.00 H new ATOM 83 N LEU A 9 31.328 18.895 2.199 1.00 0.00 N ATOM 84 CA LEU A 9 30.019 19.054 2.823 1.00 0.00 C ATOM 85 C LEU A 9 29.066 17.949 2.380 1.00 0.00 C ATOM 86 O LEU A 9 29.038 17.571 1.207 1.00 0.00 O ATOM 87 CB LEU A 9 29.429 20.422 2.473 1.00 0.00 C ATOM 88 CG LEU A 9 29.986 21.612 3.254 1.00 0.00 C ATOM 89 CD1 LEU A 9 29.914 22.880 2.418 1.00 0.00 C ATOM 90 CD2 LEU A 9 29.232 21.791 4.564 1.00 0.00 C ATOM 0 H LEU A 9 31.513 19.545 1.435 1.00 0.00 H new ATOM 0 HA LEU A 9 30.148 18.985 3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 9 29.589 20.603 1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 9 28.351 20.382 2.631 1.00 0.00 H new ATOM 0 HG LEU A 9 31.032 21.412 3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 9 30.315 23.716 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 9 30.499 22.749 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 9 28.876 23.084 2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 9 29.642 22.643 5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 9 28.177 21.968 4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 9 29.336 20.891 5.170 1.00 0.00 H new ATOM 102 N LEU A 10 28.285 17.434 3.323 1.00 0.00 N ATOM 103 CA LEU A 10 27.328 16.373 3.030 1.00 0.00 C ATOM 104 C LEU A 10 26.541 16.685 1.761 1.00 0.00 C ATOM 105 O LEU A 10 26.580 17.806 1.256 1.00 0.00 O ATOM 106 CB LEU A 10 26.368 16.186 4.206 1.00 0.00 C ATOM 107 CG LEU A 10 25.094 17.030 4.173 1.00 0.00 C ATOM 108 CD1 LEU A 10 24.036 16.437 5.092 1.00 0.00 C ATOM 109 CD2 LEU A 10 25.397 18.469 4.565 1.00 0.00 C ATOM 0 H LEU A 10 28.296 17.734 4.298 1.00 0.00 H new ATOM 0 HA LEU A 10 27.884 15.449 2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 10 26.083 15.135 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 10 26.905 16.411 5.127 1.00 0.00 H new ATOM 0 HG LEU A 10 24.705 17.026 3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 10 23.136 17.051 5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 10 23.797 15.424 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 10 24.415 16.410 6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 10 24.478 19.055 4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 10 25.810 18.492 5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 10 26.119 18.892 3.867 1.00 0.00 H new ATOM 121 N GLU A 11 25.827 15.685 1.254 1.00 0.00 N ATOM 122 CA GLU A 11 25.029 15.854 0.044 1.00 0.00 C ATOM 123 C GLU A 11 23.658 16.436 0.374 1.00 0.00 C ATOM 124 O GLU A 11 23.022 16.072 1.364 1.00 0.00 O ATOM 125 CB GLU A 11 24.867 14.514 -0.677 1.00 0.00 C ATOM 126 CG GLU A 11 26.061 14.139 -1.539 1.00 0.00 C ATOM 127 CD GLU A 11 25.898 12.786 -2.204 1.00 0.00 C ATOM 128 OE1 GLU A 11 25.191 11.928 -1.636 1.00 0.00 O ATOM 129 OE2 GLU A 11 26.477 12.586 -3.292 1.00 0.00 O ATOM 0 H GLU A 11 25.784 14.751 1.661 1.00 0.00 H new ATOM 0 HA GLU A 11 25.552 16.550 -0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 11 24.703 13.730 0.063 1.00 0.00 H new ATOM 0 HB3 GLU A 11 23.975 14.553 -1.303 1.00 0.00 H new ATOM 0 HG2 GLU A 11 26.205 14.901 -2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 11 26.961 14.131 -0.924 1.00 0.00 H new ATOM 136 N PRO A 12 23.189 17.363 -0.475 1.00 0.00 N ATOM 137 CA PRO A 12 21.889 18.015 -0.295 1.00 0.00 C ATOM 138 C PRO A 12 20.724 17.062 -0.539 1.00 0.00 C ATOM 139 O PRO A 12 20.924 15.877 -0.805 1.00 0.00 O ATOM 140 CB PRO A 12 21.901 19.126 -1.349 1.00 0.00 C ATOM 141 CG PRO A 12 22.843 18.643 -2.397 1.00 0.00 C ATOM 142 CD PRO A 12 23.893 17.845 -1.675 1.00 0.00 C ATOM 0 HA PRO A 12 21.752 18.377 0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 12 20.905 19.294 -1.759 1.00 0.00 H new ATOM 0 HB3 PRO A 12 22.234 20.072 -0.923 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.325 18.030 -3.134 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.290 19.479 -2.935 1.00 0.00 H new ATOM 0 HD2 PRO A 12 24.260 17.019 -2.284 1.00 0.00 H new ATOM 0 HD3 PRO A 12 24.756 18.458 -1.416 1.00 0.00 H new ATOM 150 N ILE A 13 19.507 17.588 -0.447 1.00 0.00 N ATOM 151 CA ILE A 13 18.310 16.783 -0.659 1.00 0.00 C ATOM 152 C ILE A 13 17.889 16.800 -2.125 1.00 0.00 C ATOM 153 O ILE A 13 17.886 17.849 -2.768 1.00 0.00 O ATOM 154 CB ILE A 13 17.137 17.280 0.206 1.00 0.00 C ATOM 155 CG1 ILE A 13 17.491 17.180 1.691 1.00 0.00 C ATOM 156 CG2 ILE A 13 15.878 16.482 -0.099 1.00 0.00 C ATOM 157 CD1 ILE A 13 17.742 15.763 2.158 1.00 0.00 C ATOM 0 H ILE A 13 19.324 18.567 -0.227 1.00 0.00 H new ATOM 0 HA ILE A 13 18.560 15.763 -0.367 1.00 0.00 H new ATOM 0 HB ILE A 13 16.947 18.326 -0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 13 18.379 17.781 1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 13 16.680 17.610 2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 13 15.058 16.845 0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.618 16.600 -1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 13 16.055 15.428 0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.987 15.768 3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 13 16.847 15.162 1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 13 18.573 15.336 1.596 1.00 0.00 H new ATOM 169 N ARG A 14 17.532 15.631 -2.646 1.00 0.00 N ATOM 170 CA ARG A 14 17.108 15.511 -4.035 1.00 0.00 C ATOM 171 C ARG A 14 15.660 15.039 -4.123 1.00 0.00 C ATOM 172 O ARG A 14 14.873 15.564 -4.911 1.00 0.00 O ATOM 173 CB ARG A 14 18.019 14.537 -4.786 1.00 0.00 C ATOM 174 CG ARG A 14 19.260 15.192 -5.370 1.00 0.00 C ATOM 175 CD ARG A 14 18.959 15.877 -6.693 1.00 0.00 C ATOM 176 NE ARG A 14 20.174 16.156 -7.455 1.00 0.00 N ATOM 177 CZ ARG A 14 20.252 17.087 -8.399 1.00 0.00 C ATOM 178 NH1 ARG A 14 19.192 17.825 -8.696 1.00 0.00 N ATOM 179 NH2 ARG A 14 21.393 17.281 -9.048 1.00 0.00 N ATOM 0 H ARG A 14 17.528 14.753 -2.127 1.00 0.00 H new ATOM 0 HA ARG A 14 17.180 16.496 -4.497 1.00 0.00 H new ATOM 0 HB2 ARG A 14 18.324 13.741 -4.107 1.00 0.00 H new ATOM 0 HB3 ARG A 14 17.452 14.070 -5.591 1.00 0.00 H new ATOM 0 HG2 ARG A 14 19.654 15.922 -4.663 1.00 0.00 H new ATOM 0 HG3 ARG A 14 20.035 14.440 -5.517 1.00 0.00 H new ATOM 0 HD2 ARG A 14 18.297 15.246 -7.285 1.00 0.00 H new ATOM 0 HD3 ARG A 14 18.427 16.810 -6.505 1.00 0.00 H new ATOM 0 HE ARG A 14 21.008 15.606 -7.251 1.00 0.00 H new ATOM 0 HH11 ARG A 14 18.313 17.679 -8.199 1.00 0.00 H new ATOM 0 HH12 ARG A 14 19.255 18.539 -9.421 1.00 0.00 H new ATOM 0 HH21 ARG A 14 22.211 16.715 -8.822 1.00 0.00 H new ATOM 0 HH22 ARG A 14 21.452 17.996 -9.773 1.00 0.00 H new ATOM 193 N ASP A 15 15.316 14.047 -3.310 1.00 0.00 N ATOM 194 CA ASP A 15 13.962 13.505 -3.295 1.00 0.00 C ATOM 195 C ASP A 15 13.632 12.905 -1.932 1.00 0.00 C ATOM 196 O ASP A 15 14.186 11.876 -1.545 1.00 0.00 O ATOM 197 CB ASP A 15 13.802 12.445 -4.386 1.00 0.00 C ATOM 198 CG ASP A 15 12.373 11.956 -4.513 1.00 0.00 C ATOM 199 OD1 ASP A 15 11.720 11.752 -3.468 1.00 0.00 O ATOM 200 OD2 ASP A 15 11.907 11.777 -5.657 1.00 0.00 O ATOM 0 H ASP A 15 15.956 13.601 -2.652 1.00 0.00 H new ATOM 0 HA ASP A 15 13.267 14.322 -3.489 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.128 12.858 -5.341 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.454 11.600 -4.166 1.00 0.00 H new ATOM 205 N PHE A 16 12.727 13.555 -1.208 1.00 0.00 N ATOM 206 CA PHE A 16 12.324 13.087 0.113 1.00 0.00 C ATOM 207 C PHE A 16 10.939 12.447 0.064 1.00 0.00 C ATOM 208 O PHE A 16 10.243 12.526 -0.947 1.00 0.00 O ATOM 209 CB PHE A 16 12.328 14.246 1.111 1.00 0.00 C ATOM 210 CG PHE A 16 12.632 13.823 2.520 1.00 0.00 C ATOM 211 CD1 PHE A 16 13.934 13.552 2.910 1.00 0.00 C ATOM 212 CD2 PHE A 16 11.617 13.697 3.454 1.00 0.00 C ATOM 213 CE1 PHE A 16 14.217 13.162 4.205 1.00 0.00 C ATOM 214 CE2 PHE A 16 11.894 13.308 4.751 1.00 0.00 C ATOM 215 CZ PHE A 16 13.195 13.041 5.127 1.00 0.00 C ATOM 0 H PHE A 16 12.259 14.408 -1.514 1.00 0.00 H new ATOM 0 HA PHE A 16 13.041 12.334 0.439 1.00 0.00 H new ATOM 0 HB2 PHE A 16 13.065 14.985 0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 16 11.355 14.737 1.089 1.00 0.00 H new ATOM 0 HD1 PHE A 16 14.737 13.647 2.194 1.00 0.00 H new ATOM 0 HD2 PHE A 16 10.597 13.905 3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 16 15.236 12.952 4.496 1.00 0.00 H new ATOM 0 HE2 PHE A 16 11.093 13.213 5.470 1.00 0.00 H new ATOM 0 HZ PHE A 16 13.414 12.738 6.140 1.00 0.00 H new ATOM 225 N GLU A 17 10.548 11.813 1.165 1.00 0.00 N ATOM 226 CA GLU A 17 9.248 11.158 1.248 1.00 0.00 C ATOM 227 C GLU A 17 8.159 12.032 0.633 1.00 0.00 C ATOM 228 O GLU A 17 7.709 13.003 1.242 1.00 0.00 O ATOM 229 CB GLU A 17 8.903 10.842 2.704 1.00 0.00 C ATOM 230 CG GLU A 17 9.613 9.613 3.246 1.00 0.00 C ATOM 231 CD GLU A 17 8.911 8.322 2.873 1.00 0.00 C ATOM 232 OE1 GLU A 17 8.012 7.896 3.628 1.00 0.00 O ATOM 233 OE2 GLU A 17 9.260 7.737 1.826 1.00 0.00 O ATOM 0 H GLU A 17 11.113 11.739 2.011 1.00 0.00 H new ATOM 0 HA GLU A 17 9.303 10.226 0.686 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.159 11.701 3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.826 10.696 2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.634 9.590 2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.679 9.686 4.332 1.00 0.00 H new ATOM 240 N ALA A 18 7.740 11.681 -0.578 1.00 0.00 N ATOM 241 CA ALA A 18 6.703 12.432 -1.275 1.00 0.00 C ATOM 242 C ALA A 18 5.551 11.522 -1.689 1.00 0.00 C ATOM 243 O ALA A 18 4.385 11.913 -1.626 1.00 0.00 O ATOM 244 CB ALA A 18 7.287 13.134 -2.492 1.00 0.00 C ATOM 0 H ALA A 18 8.103 10.881 -1.097 1.00 0.00 H new ATOM 0 HA ALA A 18 6.310 13.183 -0.590 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.501 13.691 -3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.071 13.821 -2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.708 12.393 -3.172 1.00 0.00 H new ATOM 250 N ARG A 19 5.885 10.308 -2.114 1.00 0.00 N ATOM 251 CA ARG A 19 4.878 9.344 -2.541 1.00 0.00 C ATOM 252 C ARG A 19 3.606 9.483 -1.710 1.00 0.00 C ATOM 253 O ARG A 19 3.529 8.989 -0.585 1.00 0.00 O ATOM 254 CB ARG A 19 5.423 7.919 -2.424 1.00 0.00 C ATOM 255 CG ARG A 19 6.547 7.615 -3.401 1.00 0.00 C ATOM 256 CD ARG A 19 6.006 7.156 -4.746 1.00 0.00 C ATOM 257 NE ARG A 19 6.954 6.300 -5.454 1.00 0.00 N ATOM 258 CZ ARG A 19 7.067 4.994 -5.238 1.00 0.00 C ATOM 259 NH1 ARG A 19 6.295 4.397 -4.340 1.00 0.00 N ATOM 260 NH2 ARG A 19 7.954 4.282 -5.922 1.00 0.00 N ATOM 0 H ARG A 19 6.845 9.969 -2.172 1.00 0.00 H new ATOM 0 HA ARG A 19 4.635 9.548 -3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.783 7.759 -1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.609 7.213 -2.589 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.161 8.505 -3.539 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.194 6.843 -2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.072 6.615 -4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.775 8.026 -5.360 1.00 0.00 H new ATOM 0 HE ARG A 19 7.562 6.728 -6.152 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.612 4.941 -3.813 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.384 3.394 -4.177 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.549 4.737 -6.614 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.040 3.279 -5.756 1.00 0.00 H new ATOM 274 N LYS A 20 2.610 10.160 -2.272 1.00 0.00 N ATOM 275 CA LYS A 20 1.340 10.364 -1.585 1.00 0.00 C ATOM 276 C LYS A 20 0.166 10.070 -2.513 1.00 0.00 C ATOM 277 O LYS A 20 0.310 10.080 -3.736 1.00 0.00 O ATOM 278 CB LYS A 20 1.244 11.800 -1.063 1.00 0.00 C ATOM 279 CG LYS A 20 1.825 11.981 0.329 1.00 0.00 C ATOM 280 CD LYS A 20 2.381 13.381 0.523 1.00 0.00 C ATOM 281 CE LYS A 20 2.304 13.814 1.979 1.00 0.00 C ATOM 282 NZ LYS A 20 3.101 15.046 2.234 1.00 0.00 N ATOM 0 H LYS A 20 2.658 10.577 -3.202 1.00 0.00 H new ATOM 0 HA LYS A 20 1.296 9.674 -0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.763 12.464 -1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.198 12.105 -1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.053 11.789 1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.616 11.249 0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.418 13.412 0.187 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.824 14.084 -0.097 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.263 13.992 2.250 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.667 13.008 2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.023 15.309 3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.099 14.869 1.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.739 15.822 1.644 1.00 0.00 H new ATOM 296 N CYS A 21 -0.997 9.811 -1.925 1.00 0.00 N ATOM 297 CA CYS A 21 -2.197 9.515 -2.698 1.00 0.00 C ATOM 298 C CYS A 21 -2.679 10.753 -3.449 1.00 0.00 C ATOM 299 O CYS A 21 -2.922 11.809 -2.864 1.00 0.00 O ATOM 300 CB CYS A 21 -3.306 8.998 -1.780 1.00 0.00 C ATOM 301 SG CYS A 21 -4.831 8.519 -2.654 1.00 0.00 S ATOM 0 H CYS A 21 -1.134 9.800 -0.914 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.949 8.743 -3.426 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.932 8.137 -1.225 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.546 9.769 -1.048 1.00 0.00 H new ATOM 306 N PRO A 22 -2.821 10.623 -4.776 1.00 0.00 N ATOM 307 CA PRO A 22 -3.276 11.720 -5.636 1.00 0.00 C ATOM 308 C PRO A 22 -4.745 12.059 -5.413 1.00 0.00 C ATOM 309 O PRO A 22 -5.215 13.123 -5.817 1.00 0.00 O ATOM 310 CB PRO A 22 -3.061 11.175 -7.050 1.00 0.00 C ATOM 311 CG PRO A 22 -3.120 9.694 -6.898 1.00 0.00 C ATOM 312 CD PRO A 22 -2.549 9.394 -5.540 1.00 0.00 C ATOM 0 HA PRO A 22 -2.737 12.646 -5.435 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.830 11.534 -7.734 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.101 11.493 -7.455 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.146 9.334 -6.978 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.546 9.198 -7.681 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.026 8.525 -5.087 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.481 9.181 -5.591 1.00 0.00 H new ATOM 320 N VAL A 23 -5.467 11.149 -4.768 1.00 0.00 N ATOM 321 CA VAL A 23 -6.884 11.353 -4.490 1.00 0.00 C ATOM 322 C VAL A 23 -7.092 11.942 -3.100 1.00 0.00 C ATOM 323 O VAL A 23 -8.004 12.741 -2.882 1.00 0.00 O ATOM 324 CB VAL A 23 -7.673 10.035 -4.601 1.00 0.00 C ATOM 325 CG1 VAL A 23 -9.144 10.266 -4.291 1.00 0.00 C ATOM 326 CG2 VAL A 23 -7.500 9.425 -5.983 1.00 0.00 C ATOM 0 H VAL A 23 -5.094 10.263 -4.428 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.256 12.054 -5.237 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.278 9.332 -3.867 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.686 9.324 -4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.246 10.655 -3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.556 10.985 -4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.064 8.494 -6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.867 10.122 -6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.444 9.221 -6.161 1.00 0.00 H new ATOM 336 N HIS A 24 -6.240 11.544 -2.160 1.00 0.00 N ATOM 337 CA HIS A 24 -6.330 12.034 -0.789 1.00 0.00 C ATOM 338 C HIS A 24 -5.178 12.983 -0.475 1.00 0.00 C ATOM 339 O HIS A 24 -5.391 14.095 0.007 1.00 0.00 O ATOM 340 CB HIS A 24 -6.324 10.863 0.194 1.00 0.00 C ATOM 341 CG HIS A 24 -7.578 10.045 0.159 1.00 0.00 C ATOM 342 ND1 HIS A 24 -7.767 8.994 -0.714 1.00 0.00 N ATOM 343 CD2 HIS A 24 -8.709 10.126 0.897 1.00 0.00 C ATOM 344 CE1 HIS A 24 -8.961 8.466 -0.512 1.00 0.00 C ATOM 345 NE2 HIS A 24 -9.553 9.135 0.461 1.00 0.00 N ATOM 0 H HIS A 24 -5.480 10.884 -2.323 1.00 0.00 H new ATOM 0 HA HIS A 24 -7.267 12.581 -0.685 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.473 10.218 -0.027 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.179 11.248 1.204 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -8.911 10.838 1.683 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.381 7.630 -1.051 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -10.486 8.946 0.829 1.00 0.00 H new ATOM 353 N GLY A 25 -3.956 12.536 -0.751 1.00 0.00 N ATOM 354 CA GLY A 25 -2.789 13.358 -0.490 1.00 0.00 C ATOM 355 C GLY A 25 -1.985 12.864 0.696 1.00 0.00 C ATOM 356 O GLY A 25 -1.162 13.596 1.247 1.00 0.00 O ATOM 0 H GLY A 25 -3.754 11.620 -1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.153 13.372 -1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.105 14.385 -0.308 1.00 0.00 H new ATOM 360 N LYS A 26 -2.224 11.618 1.092 1.00 0.00 N ATOM 361 CA LYS A 26 -1.516 11.026 2.221 1.00 0.00 C ATOM 362 C LYS A 26 -0.464 10.031 1.743 1.00 0.00 C ATOM 363 O LYS A 26 -0.694 9.271 0.802 1.00 0.00 O ATOM 364 CB LYS A 26 -2.504 10.327 3.159 1.00 0.00 C ATOM 365 CG LYS A 26 -3.614 11.235 3.659 1.00 0.00 C ATOM 366 CD LYS A 26 -3.073 12.335 4.557 1.00 0.00 C ATOM 367 CE LYS A 26 -4.174 12.958 5.401 1.00 0.00 C ATOM 368 NZ LYS A 26 -3.841 14.351 5.808 1.00 0.00 N ATOM 0 H LYS A 26 -2.902 10.999 0.648 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.013 11.827 2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.947 9.478 2.639 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.959 9.928 4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.132 11.680 2.809 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.349 10.645 4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.300 11.927 5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.601 13.105 3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.107 12.958 4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.338 12.349 6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.617 14.740 6.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.964 14.349 6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.709 14.938 4.960 1.00 0.00 H new ATOM 382 N THR A 27 0.694 10.040 2.397 1.00 0.00 N ATOM 383 CA THR A 27 1.781 9.139 2.038 1.00 0.00 C ATOM 384 C THR A 27 1.304 7.692 1.990 1.00 0.00 C ATOM 385 O THR A 27 1.122 7.054 3.026 1.00 0.00 O ATOM 386 CB THR A 27 2.952 9.248 3.033 1.00 0.00 C ATOM 387 OG1 THR A 27 3.425 10.599 3.088 1.00 0.00 O ATOM 388 CG2 THR A 27 4.092 8.323 2.632 1.00 0.00 C ATOM 0 H THR A 27 0.902 10.662 3.178 1.00 0.00 H new ATOM 0 HA THR A 27 2.125 9.438 1.048 1.00 0.00 H new ATOM 0 HB THR A 27 2.591 8.949 4.017 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.168 10.660 3.724 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.907 8.418 3.350 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.737 7.292 2.620 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.449 8.595 1.639 1.00 0.00 H new ATOM 396 N MET A 28 1.102 7.180 0.780 1.00 0.00 N ATOM 397 CA MET A 28 0.647 5.807 0.597 1.00 0.00 C ATOM 398 C MET A 28 1.556 4.830 1.338 1.00 0.00 C ATOM 399 O MET A 28 2.712 4.640 0.964 1.00 0.00 O ATOM 400 CB MET A 28 0.606 5.454 -0.891 1.00 0.00 C ATOM 401 CG MET A 28 -0.426 6.249 -1.675 1.00 0.00 C ATOM 402 SD MET A 28 -0.599 5.675 -3.375 1.00 0.00 S ATOM 403 CE MET A 28 0.648 6.665 -4.195 1.00 0.00 C ATOM 0 H MET A 28 1.246 7.696 -0.088 1.00 0.00 H new ATOM 0 HA MET A 28 -0.359 5.726 1.010 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.591 5.626 -1.324 1.00 0.00 H new ATOM 0 HB3 MET A 28 0.392 4.391 -0.998 1.00 0.00 H new ATOM 0 HG2 MET A 28 -1.391 6.180 -1.172 1.00 0.00 H new ATOM 0 HG3 MET A 28 -0.143 7.302 -1.678 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.006 6.139 -5.080 1.00 0.00 H new ATOM 0 HE2 MET A 28 0.217 7.621 -4.491 1.00 0.00 H new ATOM 0 HE3 MET A 28 1.481 6.838 -3.514 1.00 0.00 H new ATOM 413 N GLU A 29 1.023 4.216 2.390 1.00 0.00 N ATOM 414 CA GLU A 29 1.788 3.260 3.183 1.00 0.00 C ATOM 415 C GLU A 29 1.162 1.870 3.112 1.00 0.00 C ATOM 416 O GLU A 29 1.251 1.088 4.059 1.00 0.00 O ATOM 417 CB GLU A 29 1.869 3.721 4.639 1.00 0.00 C ATOM 418 CG GLU A 29 2.098 5.216 4.793 1.00 0.00 C ATOM 419 CD GLU A 29 2.829 5.566 6.074 1.00 0.00 C ATOM 420 OE1 GLU A 29 2.154 5.789 7.101 1.00 0.00 O ATOM 421 OE2 GLU A 29 4.076 5.616 6.050 1.00 0.00 O ATOM 0 H GLU A 29 0.067 4.363 2.712 1.00 0.00 H new ATOM 0 HA GLU A 29 2.795 3.207 2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.945 3.449 5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.677 3.185 5.136 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.671 5.581 3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.137 5.730 4.775 1.00 0.00 H new ATOM 428 N LEU A 30 0.527 1.571 1.984 1.00 0.00 N ATOM 429 CA LEU A 30 -0.116 0.276 1.789 1.00 0.00 C ATOM 430 C LEU A 30 0.041 -0.198 0.347 1.00 0.00 C ATOM 431 O LEU A 30 0.496 0.552 -0.518 1.00 0.00 O ATOM 432 CB LEU A 30 -1.600 0.361 2.151 1.00 0.00 C ATOM 433 CG LEU A 30 -1.926 1.016 3.493 1.00 0.00 C ATOM 434 CD1 LEU A 30 -3.301 1.666 3.449 1.00 0.00 C ATOM 435 CD2 LEU A 30 -1.853 -0.006 4.618 1.00 0.00 C ATOM 0 H LEU A 30 0.444 2.207 1.191 1.00 0.00 H new ATOM 0 HA LEU A 30 0.371 -0.446 2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.114 0.914 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.012 -0.648 2.152 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.185 1.792 3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.516 2.127 4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.318 2.428 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.055 0.909 3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.088 0.479 5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.571 -0.805 4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.848 -0.425 4.664 1.00 0.00 H new ATOM 447 N PHE A 31 -0.340 -1.446 0.095 1.00 0.00 N ATOM 448 CA PHE A 31 -0.243 -2.019 -1.242 1.00 0.00 C ATOM 449 C PHE A 31 -1.377 -3.009 -1.493 1.00 0.00 C ATOM 450 O PHE A 31 -1.516 -4.005 -0.783 1.00 0.00 O ATOM 451 CB PHE A 31 1.107 -2.717 -1.424 1.00 0.00 C ATOM 452 CG PHE A 31 1.266 -3.375 -2.765 1.00 0.00 C ATOM 453 CD1 PHE A 31 1.672 -2.642 -3.868 1.00 0.00 C ATOM 454 CD2 PHE A 31 1.009 -4.728 -2.922 1.00 0.00 C ATOM 455 CE1 PHE A 31 1.818 -3.246 -5.102 1.00 0.00 C ATOM 456 CE2 PHE A 31 1.153 -5.337 -4.154 1.00 0.00 C ATOM 457 CZ PHE A 31 1.560 -4.595 -5.245 1.00 0.00 C ATOM 0 H PHE A 31 -0.719 -2.080 0.799 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.326 -1.207 -1.965 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.905 -1.987 -1.289 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.227 -3.468 -0.643 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.877 -1.587 -3.762 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.692 -5.313 -2.071 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.134 -2.663 -5.955 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.948 -6.392 -4.263 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.676 -5.069 -6.208 1.00 0.00 H new ATOM 467 N CYS A 32 -2.186 -2.726 -2.509 1.00 0.00 N ATOM 468 CA CYS A 32 -3.310 -3.588 -2.855 1.00 0.00 C ATOM 469 C CYS A 32 -2.820 -4.926 -3.402 1.00 0.00 C ATOM 470 O CYS A 32 -1.800 -4.991 -4.088 1.00 0.00 O ATOM 471 CB CYS A 32 -4.208 -2.902 -3.885 1.00 0.00 C ATOM 472 SG CYS A 32 -5.828 -3.704 -4.111 1.00 0.00 S ATOM 0 H CYS A 32 -2.084 -1.906 -3.107 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.886 -3.774 -1.948 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.366 -1.867 -3.581 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.690 -2.877 -4.844 1.00 0.00 H new ATOM 477 N GLN A 33 -3.554 -5.990 -3.092 1.00 0.00 N ATOM 478 CA GLN A 33 -3.194 -7.326 -3.552 1.00 0.00 C ATOM 479 C GLN A 33 -4.011 -7.718 -4.779 1.00 0.00 C ATOM 480 O GLN A 33 -3.814 -8.789 -5.354 1.00 0.00 O ATOM 481 CB GLN A 33 -3.409 -8.348 -2.435 1.00 0.00 C ATOM 482 CG GLN A 33 -2.446 -8.187 -1.270 1.00 0.00 C ATOM 483 CD GLN A 33 -2.175 -9.495 -0.552 1.00 0.00 C ATOM 484 OE1 GLN A 33 -3.054 -10.349 -0.441 1.00 0.00 O ATOM 485 NE2 GLN A 33 -0.952 -9.657 -0.059 1.00 0.00 N ATOM 0 H GLN A 33 -4.401 -5.953 -2.525 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.140 -7.316 -3.828 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.431 -8.261 -2.066 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.304 -9.352 -2.847 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.505 -7.776 -1.635 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.855 -7.466 -0.562 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.254 -8.922 -0.174 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.711 -10.516 0.435 1.00 0.00 H new ATOM 494 N THR A 34 -4.929 -6.843 -5.177 1.00 0.00 N ATOM 495 CA THR A 34 -5.777 -7.097 -6.335 1.00 0.00 C ATOM 496 C THR A 34 -5.174 -6.499 -7.600 1.00 0.00 C ATOM 497 O THR A 34 -4.946 -7.203 -8.584 1.00 0.00 O ATOM 498 CB THR A 34 -7.192 -6.522 -6.132 1.00 0.00 C ATOM 499 OG1 THR A 34 -7.864 -7.231 -5.085 1.00 0.00 O ATOM 500 CG2 THR A 34 -8.002 -6.616 -7.416 1.00 0.00 C ATOM 0 H THR A 34 -5.104 -5.951 -4.714 1.00 0.00 H new ATOM 0 HA THR A 34 -5.845 -8.179 -6.445 1.00 0.00 H new ATOM 0 HB THR A 34 -7.098 -5.472 -5.856 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.802 -7.368 -5.333 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.997 -6.204 -7.249 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.503 -6.051 -8.203 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.087 -7.660 -7.717 1.00 0.00 H new ATOM 508 N ASP A 35 -4.916 -5.196 -7.568 1.00 0.00 N ATOM 509 CA ASP A 35 -4.336 -4.503 -8.713 1.00 0.00 C ATOM 510 C ASP A 35 -2.840 -4.284 -8.515 1.00 0.00 C ATOM 511 O ASP A 35 -2.161 -3.749 -9.391 1.00 0.00 O ATOM 512 CB ASP A 35 -5.036 -3.161 -8.931 1.00 0.00 C ATOM 513 CG ASP A 35 -5.559 -2.563 -7.639 1.00 0.00 C ATOM 514 OD1 ASP A 35 -4.753 -2.376 -6.704 1.00 0.00 O ATOM 515 OD2 ASP A 35 -6.774 -2.284 -7.563 1.00 0.00 O ATOM 0 H ASP A 35 -5.099 -4.598 -6.762 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.480 -5.127 -9.595 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.340 -2.463 -9.395 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.864 -3.295 -9.627 1.00 0.00 H new ATOM 520 N GLN A 36 -2.334 -4.701 -7.359 1.00 0.00 N ATOM 521 CA GLN A 36 -0.918 -4.548 -7.046 1.00 0.00 C ATOM 522 C GLN A 36 -0.476 -3.098 -7.214 1.00 0.00 C ATOM 523 O GLN A 36 0.512 -2.812 -7.891 1.00 0.00 O ATOM 524 CB GLN A 36 -0.075 -5.457 -7.943 1.00 0.00 C ATOM 525 CG GLN A 36 0.136 -6.849 -7.371 1.00 0.00 C ATOM 526 CD GLN A 36 -0.917 -7.836 -7.834 1.00 0.00 C ATOM 527 OE1 GLN A 36 -0.613 -8.807 -8.528 1.00 0.00 O ATOM 528 NE2 GLN A 36 -2.166 -7.593 -7.452 1.00 0.00 N ATOM 0 H GLN A 36 -2.883 -5.147 -6.624 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.769 -4.836 -6.005 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.558 -5.543 -8.916 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.896 -4.990 -8.109 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.122 -7.212 -7.662 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.125 -6.796 -6.282 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.374 -6.777 -6.877 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.917 -8.223 -7.734 1.00 0.00 H new ATOM 537 N THR A 37 -1.216 -2.184 -6.593 1.00 0.00 N ATOM 538 CA THR A 37 -0.902 -0.763 -6.675 1.00 0.00 C ATOM 539 C THR A 37 -0.840 -0.133 -5.288 1.00 0.00 C ATOM 540 O THR A 37 -1.567 -0.537 -4.379 1.00 0.00 O ATOM 541 CB THR A 37 -1.941 -0.006 -7.524 1.00 0.00 C ATOM 542 OG1 THR A 37 -1.356 1.183 -8.068 1.00 0.00 O ATOM 543 CG2 THR A 37 -3.160 0.358 -6.689 1.00 0.00 C ATOM 0 H THR A 37 -2.037 -2.403 -6.028 1.00 0.00 H new ATOM 0 HA THR A 37 0.075 -0.682 -7.152 1.00 0.00 H new ATOM 0 HB THR A 37 -2.259 -0.659 -8.337 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.022 1.658 -8.608 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.880 0.892 -7.309 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.619 -0.551 -6.300 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.855 0.994 -5.858 1.00 0.00 H new ATOM 551 N CYS A 38 0.031 0.857 -5.132 1.00 0.00 N ATOM 552 CA CYS A 38 0.188 1.543 -3.854 1.00 0.00 C ATOM 553 C CYS A 38 -1.012 2.439 -3.567 1.00 0.00 C ATOM 554 O CYS A 38 -1.503 3.139 -4.453 1.00 0.00 O ATOM 555 CB CYS A 38 1.472 2.374 -3.852 1.00 0.00 C ATOM 556 SG CYS A 38 2.980 1.404 -4.086 1.00 0.00 S ATOM 0 H CYS A 38 0.639 1.203 -5.874 1.00 0.00 H new ATOM 0 HA CYS A 38 0.251 0.788 -3.070 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.408 3.123 -4.641 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.542 2.912 -2.907 1.00 0.00 H new ATOM 0 HG CYS A 38 4.011 2.195 -4.072 1.00 0.00 H new ATOM 562 N ILE A 39 -1.481 2.411 -2.324 1.00 0.00 N ATOM 563 CA ILE A 39 -2.625 3.220 -1.921 1.00 0.00 C ATOM 564 C ILE A 39 -2.484 3.691 -0.478 1.00 0.00 C ATOM 565 O ILE A 39 -1.585 3.256 0.244 1.00 0.00 O ATOM 566 CB ILE A 39 -3.945 2.441 -2.068 1.00 0.00 C ATOM 567 CG1 ILE A 39 -3.839 1.078 -1.380 1.00 0.00 C ATOM 568 CG2 ILE A 39 -4.300 2.273 -3.538 1.00 0.00 C ATOM 569 CD1 ILE A 39 -5.171 0.523 -0.930 1.00 0.00 C ATOM 0 H ILE A 39 -1.087 1.837 -1.579 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.648 4.086 -2.583 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.740 3.009 -1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.372 0.370 -2.065 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.181 1.167 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.235 1.720 -3.626 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.413 3.254 -3.999 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.506 1.724 -4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.019 -0.444 -0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.631 1.211 -0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.825 0.402 -1.793 1.00 0.00 H new ATOM 581 N CYS A 40 -3.377 4.582 -0.061 1.00 0.00 N ATOM 582 CA CYS A 40 -3.355 5.112 1.297 1.00 0.00 C ATOM 583 C CYS A 40 -4.412 4.434 2.163 1.00 0.00 C ATOM 584 O CYS A 40 -5.287 3.730 1.657 1.00 0.00 O ATOM 585 CB CYS A 40 -3.586 6.624 1.280 1.00 0.00 C ATOM 586 SG CYS A 40 -5.300 7.110 0.900 1.00 0.00 S ATOM 0 H CYS A 40 -4.126 4.953 -0.645 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.374 4.906 1.725 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.310 7.034 2.252 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.920 7.074 0.544 1.00 0.00 H new ATOM 591 N TYR A 41 -4.325 4.651 3.471 1.00 0.00 N ATOM 592 CA TYR A 41 -5.273 4.060 4.408 1.00 0.00 C ATOM 593 C TYR A 41 -6.702 4.471 4.070 1.00 0.00 C ATOM 594 O TYR A 41 -7.626 3.658 4.129 1.00 0.00 O ATOM 595 CB TYR A 41 -4.934 4.478 5.840 1.00 0.00 C ATOM 596 CG TYR A 41 -4.290 5.843 5.935 1.00 0.00 C ATOM 597 CD1 TYR A 41 -5.062 6.989 6.079 1.00 0.00 C ATOM 598 CD2 TYR A 41 -2.909 5.986 5.883 1.00 0.00 C ATOM 599 CE1 TYR A 41 -4.477 8.238 6.166 1.00 0.00 C ATOM 600 CE2 TYR A 41 -2.315 7.230 5.971 1.00 0.00 C ATOM 601 CZ TYR A 41 -3.104 8.353 6.112 1.00 0.00 C ATOM 602 OH TYR A 41 -2.518 9.595 6.199 1.00 0.00 O ATOM 0 H TYR A 41 -3.608 5.232 3.906 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.198 2.976 4.326 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.846 4.473 6.437 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.264 3.738 6.277 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.138 6.902 6.124 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.289 5.109 5.772 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.092 9.119 6.276 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.240 7.323 5.930 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.544 9.502 6.146 1.00 0.00 H new ATOM 612 N LEU A 42 -6.877 5.740 3.716 1.00 0.00 N ATOM 613 CA LEU A 42 -8.194 6.262 3.367 1.00 0.00 C ATOM 614 C LEU A 42 -8.748 5.561 2.130 1.00 0.00 C ATOM 615 O LEU A 42 -9.959 5.529 1.912 1.00 0.00 O ATOM 616 CB LEU A 42 -8.118 7.770 3.122 1.00 0.00 C ATOM 617 CG LEU A 42 -7.658 8.620 4.307 1.00 0.00 C ATOM 618 CD1 LEU A 42 -7.468 10.068 3.883 1.00 0.00 C ATOM 619 CD2 LEU A 42 -8.657 8.524 5.451 1.00 0.00 C ATOM 0 H LEU A 42 -6.124 6.426 3.663 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.867 6.069 4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.440 7.949 2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.103 8.118 2.812 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.699 8.236 4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.141 10.658 4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.715 10.121 3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.412 10.464 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.314 9.135 6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.630 8.882 5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.743 7.486 5.772 1.00 0.00 H new ATOM 631 N CYS A 43 -7.853 5.000 1.324 1.00 0.00 N ATOM 632 CA CYS A 43 -8.250 4.298 0.110 1.00 0.00 C ATOM 633 C CYS A 43 -8.757 2.895 0.434 1.00 0.00 C ATOM 634 O CYS A 43 -9.863 2.519 0.046 1.00 0.00 O ATOM 635 CB CYS A 43 -7.074 4.214 -0.864 1.00 0.00 C ATOM 636 SG CYS A 43 -6.957 5.624 -2.011 1.00 0.00 S ATOM 0 H CYS A 43 -6.847 5.018 1.490 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.059 4.860 -0.356 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.148 4.146 -0.294 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.160 3.295 -1.443 1.00 0.00 H new ATOM 641 N MET A 44 -7.941 2.127 1.148 1.00 0.00 N ATOM 642 CA MET A 44 -8.307 0.767 1.525 1.00 0.00 C ATOM 643 C MET A 44 -9.676 0.739 2.198 1.00 0.00 C ATOM 644 O MET A 44 -10.354 -0.288 2.206 1.00 0.00 O ATOM 645 CB MET A 44 -7.253 0.173 2.462 1.00 0.00 C ATOM 646 CG MET A 44 -7.314 0.730 3.875 1.00 0.00 C ATOM 647 SD MET A 44 -6.973 -0.520 5.129 1.00 0.00 S ATOM 648 CE MET A 44 -5.197 -0.684 4.969 1.00 0.00 C ATOM 0 H MET A 44 -7.022 2.423 1.477 1.00 0.00 H new ATOM 0 HA MET A 44 -8.356 0.166 0.617 1.00 0.00 H new ATOM 0 HB2 MET A 44 -7.381 -0.909 2.501 1.00 0.00 H new ATOM 0 HB3 MET A 44 -6.263 0.362 2.048 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.594 1.543 3.972 1.00 0.00 H new ATOM 0 HG3 MET A 44 -8.302 1.156 4.051 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.853 -1.521 5.577 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.941 -0.864 3.925 1.00 0.00 H new ATOM 0 HE3 MET A 44 -4.715 0.233 5.308 1.00 0.00 H new ATOM 658 N PHE A 45 -10.076 1.874 2.762 1.00 0.00 N ATOM 659 CA PHE A 45 -11.363 1.979 3.439 1.00 0.00 C ATOM 660 C PHE A 45 -12.476 2.299 2.445 1.00 0.00 C ATOM 661 O PHE A 45 -13.606 1.835 2.592 1.00 0.00 O ATOM 662 CB PHE A 45 -11.307 3.057 4.523 1.00 0.00 C ATOM 663 CG PHE A 45 -10.144 2.904 5.461 1.00 0.00 C ATOM 664 CD1 PHE A 45 -9.734 1.648 5.878 1.00 0.00 C ATOM 665 CD2 PHE A 45 -9.461 4.017 5.926 1.00 0.00 C ATOM 666 CE1 PHE A 45 -8.664 1.504 6.741 1.00 0.00 C ATOM 667 CE2 PHE A 45 -8.391 3.878 6.789 1.00 0.00 C ATOM 668 CZ PHE A 45 -7.992 2.620 7.198 1.00 0.00 C ATOM 0 H PHE A 45 -9.527 2.734 2.764 1.00 0.00 H new ATOM 0 HA PHE A 45 -11.580 1.017 3.904 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -11.254 4.036 4.048 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -12.233 3.032 5.098 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.256 0.771 5.525 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -9.768 5.003 5.610 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.354 0.519 7.058 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.866 4.753 7.144 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.157 2.510 7.873 1.00 0.00 H new ATOM 678 N GLN A 46 -12.146 3.095 1.433 1.00 0.00 N ATOM 679 CA GLN A 46 -13.117 3.479 0.415 1.00 0.00 C ATOM 680 C GLN A 46 -12.708 2.949 -0.955 1.00 0.00 C ATOM 681 O GLN A 46 -13.285 1.984 -1.455 1.00 0.00 O ATOM 682 CB GLN A 46 -13.261 5.001 0.364 1.00 0.00 C ATOM 683 CG GLN A 46 -14.338 5.541 1.290 1.00 0.00 C ATOM 684 CD GLN A 46 -14.662 6.997 1.021 1.00 0.00 C ATOM 685 OE1 GLN A 46 -14.010 7.899 1.548 1.00 0.00 O ATOM 686 NE2 GLN A 46 -15.675 7.236 0.196 1.00 0.00 N ATOM 0 H GLN A 46 -11.214 3.486 1.296 1.00 0.00 H new ATOM 0 HA GLN A 46 -14.078 3.040 0.682 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.306 5.457 0.626 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.488 5.302 -0.659 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -15.243 4.944 1.176 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -14.012 5.430 2.324 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -16.189 6.459 -0.219 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.939 8.197 -0.022 1.00 0.00 H new ATOM 695 N GLU A 47 -11.708 3.587 -1.556 1.00 0.00 N ATOM 696 CA GLU A 47 -11.223 3.179 -2.870 1.00 0.00 C ATOM 697 C GLU A 47 -11.133 1.659 -2.969 1.00 0.00 C ATOM 698 O GLU A 47 -11.814 1.037 -3.785 1.00 0.00 O ATOM 699 CB GLU A 47 -9.853 3.801 -3.148 1.00 0.00 C ATOM 700 CG GLU A 47 -9.927 5.212 -3.707 1.00 0.00 C ATOM 701 CD GLU A 47 -8.695 5.588 -4.506 1.00 0.00 C ATOM 702 OE1 GLU A 47 -8.164 4.714 -5.223 1.00 0.00 O ATOM 703 OE2 GLU A 47 -8.261 6.756 -4.415 1.00 0.00 O ATOM 0 H GLU A 47 -11.219 4.387 -1.155 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.933 3.533 -3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.276 3.815 -2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.312 3.168 -3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.808 5.301 -4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.052 5.918 -2.886 1.00 0.00 H new ATOM 710 N HIS A 48 -10.287 1.066 -2.132 1.00 0.00 N ATOM 711 CA HIS A 48 -10.107 -0.381 -2.124 1.00 0.00 C ATOM 712 C HIS A 48 -10.641 -0.988 -0.831 1.00 0.00 C ATOM 713 O HIS A 48 -9.876 -1.310 0.079 1.00 0.00 O ATOM 714 CB HIS A 48 -8.629 -0.734 -2.295 1.00 0.00 C ATOM 715 CG HIS A 48 -7.968 -0.011 -3.428 1.00 0.00 C ATOM 716 ND1 HIS A 48 -7.497 -0.651 -4.555 1.00 0.00 N ATOM 717 CD2 HIS A 48 -7.703 1.304 -3.605 1.00 0.00 C ATOM 718 CE1 HIS A 48 -6.968 0.239 -5.376 1.00 0.00 C ATOM 719 NE2 HIS A 48 -7.081 1.434 -4.823 1.00 0.00 N ATOM 0 H HIS A 48 -9.716 1.566 -1.451 1.00 0.00 H new ATOM 0 HA HIS A 48 -10.671 -0.797 -2.959 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -8.100 -0.504 -1.370 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -8.537 -1.808 -2.457 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.937 2.103 -2.917 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.520 0.026 -6.335 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.759 2.310 -5.234 1.00 0.00 H new ATOM 727 N LYS A 49 -11.959 -1.142 -0.754 1.00 0.00 N ATOM 728 CA LYS A 49 -12.596 -1.711 0.427 1.00 0.00 C ATOM 729 C LYS A 49 -12.687 -3.230 0.319 1.00 0.00 C ATOM 730 O LYS A 49 -12.412 -3.947 1.280 1.00 0.00 O ATOM 731 CB LYS A 49 -13.995 -1.118 0.613 1.00 0.00 C ATOM 732 CG LYS A 49 -14.759 -1.716 1.781 1.00 0.00 C ATOM 733 CD LYS A 49 -15.718 -0.709 2.394 1.00 0.00 C ATOM 734 CE LYS A 49 -15.909 -0.956 3.883 1.00 0.00 C ATOM 735 NZ LYS A 49 -16.996 -0.111 4.450 1.00 0.00 N ATOM 0 H LYS A 49 -12.607 -0.880 -1.497 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.984 -1.462 1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.907 -0.042 0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -14.569 -1.269 -0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.315 -2.591 1.444 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.056 -2.059 2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.337 0.300 2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -16.682 -0.768 1.888 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.142 -2.008 4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.977 -0.749 4.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.095 -0.309 5.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.762 0.893 4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.891 -0.327 3.967 1.00 0.00 H new ATOM 749 N ASN A 50 -13.071 -3.713 -0.858 1.00 0.00 N ATOM 750 CA ASN A 50 -13.196 -5.147 -1.092 1.00 0.00 C ATOM 751 C ASN A 50 -11.823 -5.796 -1.239 1.00 0.00 C ATOM 752 O ASN A 50 -11.461 -6.687 -0.470 1.00 0.00 O ATOM 753 CB ASN A 50 -14.034 -5.409 -2.346 1.00 0.00 C ATOM 754 CG ASN A 50 -15.516 -5.200 -2.105 1.00 0.00 C ATOM 755 OD1 ASN A 50 -16.342 -6.026 -2.494 1.00 0.00 O ATOM 756 ND2 ASN A 50 -15.860 -4.091 -1.461 1.00 0.00 N ATOM 0 H ASN A 50 -13.301 -3.132 -1.665 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.696 -5.589 -0.230 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.702 -4.748 -3.146 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.865 -6.431 -2.686 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.843 -3.896 -1.270 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.141 -3.434 -1.157 1.00 0.00 H new ATOM 763 N HIS A 51 -11.064 -5.343 -2.231 1.00 0.00 N ATOM 764 CA HIS A 51 -9.730 -5.878 -2.478 1.00 0.00 C ATOM 765 C HIS A 51 -8.986 -6.110 -1.166 1.00 0.00 C ATOM 766 O HIS A 51 -9.313 -5.512 -0.142 1.00 0.00 O ATOM 767 CB HIS A 51 -8.932 -4.926 -3.369 1.00 0.00 C ATOM 768 CG HIS A 51 -9.607 -4.615 -4.670 1.00 0.00 C ATOM 769 ND1 HIS A 51 -9.271 -3.530 -5.452 1.00 0.00 N ATOM 770 CD2 HIS A 51 -10.603 -5.256 -5.325 1.00 0.00 C ATOM 771 CE1 HIS A 51 -10.032 -3.516 -6.531 1.00 0.00 C ATOM 772 NE2 HIS A 51 -10.849 -4.553 -6.479 1.00 0.00 N ATOM 0 H HIS A 51 -11.350 -4.607 -2.877 1.00 0.00 H new ATOM 0 HA HIS A 51 -9.838 -6.835 -2.988 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.758 -3.996 -2.828 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.955 -5.365 -3.572 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -11.110 -6.153 -5.001 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.993 -2.782 -7.322 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -11.549 -4.793 -7.182 1.00 0.00 H new ATOM 780 N SER A 52 -7.983 -6.982 -1.206 1.00 0.00 N ATOM 781 CA SER A 52 -7.196 -7.297 -0.020 1.00 0.00 C ATOM 782 C SER A 52 -5.952 -6.416 0.056 1.00 0.00 C ATOM 783 O SER A 52 -4.933 -6.705 -0.572 1.00 0.00 O ATOM 784 CB SER A 52 -6.791 -8.772 -0.027 1.00 0.00 C ATOM 785 OG SER A 52 -7.764 -9.571 0.622 1.00 0.00 O ATOM 0 H SER A 52 -7.697 -7.483 -2.047 1.00 0.00 H new ATOM 0 HA SER A 52 -7.813 -7.102 0.857 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.663 -9.112 -1.055 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.828 -8.890 0.470 1.00 0.00 H new ATOM 0 HG SER A 52 -7.483 -10.510 0.603 1.00 0.00 H new ATOM 791 N THR A 53 -6.044 -5.339 0.829 1.00 0.00 N ATOM 792 CA THR A 53 -4.928 -4.414 0.987 1.00 0.00 C ATOM 793 C THR A 53 -4.024 -4.836 2.139 1.00 0.00 C ATOM 794 O THR A 53 -4.496 -5.325 3.166 1.00 0.00 O ATOM 795 CB THR A 53 -5.421 -2.976 1.236 1.00 0.00 C ATOM 796 OG1 THR A 53 -6.430 -2.973 2.251 1.00 0.00 O ATOM 797 CG2 THR A 53 -5.978 -2.366 -0.042 1.00 0.00 C ATOM 0 H THR A 53 -6.880 -5.085 1.356 1.00 0.00 H new ATOM 0 HA THR A 53 -4.362 -4.440 0.056 1.00 0.00 H new ATOM 0 HB THR A 53 -4.573 -2.377 1.566 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.033 -2.705 3.106 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.320 -1.351 0.158 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.199 -2.343 -0.804 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.815 -2.967 -0.397 1.00 0.00 H new ATOM 805 N VAL A 54 -2.720 -4.643 1.964 1.00 0.00 N ATOM 806 CA VAL A 54 -1.749 -5.001 2.990 1.00 0.00 C ATOM 807 C VAL A 54 -0.621 -3.979 3.061 1.00 0.00 C ATOM 808 O VAL A 54 -0.124 -3.513 2.034 1.00 0.00 O ATOM 809 CB VAL A 54 -1.148 -6.396 2.732 1.00 0.00 C ATOM 810 CG1 VAL A 54 -2.237 -7.458 2.748 1.00 0.00 C ATOM 811 CG2 VAL A 54 -0.394 -6.414 1.411 1.00 0.00 C ATOM 0 H VAL A 54 -2.312 -4.240 1.120 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.283 -5.014 3.940 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.442 -6.622 3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.794 -8.437 2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.729 -7.460 3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.970 -7.240 1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.024 -7.407 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.077 -6.167 0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.412 -5.681 1.442 1.00 0.00 H new ATOM 821 N THR A 55 -0.219 -3.632 4.279 1.00 0.00 N ATOM 822 CA THR A 55 0.851 -2.663 4.485 1.00 0.00 C ATOM 823 C THR A 55 2.051 -2.973 3.597 1.00 0.00 C ATOM 824 O THR A 55 2.545 -4.100 3.575 1.00 0.00 O ATOM 825 CB THR A 55 1.309 -2.635 5.955 1.00 0.00 C ATOM 826 OG1 THR A 55 1.383 -3.969 6.471 1.00 0.00 O ATOM 827 CG2 THR A 55 0.353 -1.810 6.804 1.00 0.00 C ATOM 0 H THR A 55 -0.618 -4.008 5.139 1.00 0.00 H new ATOM 0 HA THR A 55 0.448 -1.686 4.219 1.00 0.00 H new ATOM 0 HB THR A 55 2.296 -2.175 5.996 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.676 -3.942 7.406 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.697 -1.805 7.838 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.321 -0.788 6.427 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.645 -2.246 6.756 1.00 0.00 H new ATOM 835 N VAL A 56 2.516 -1.965 2.865 1.00 0.00 N ATOM 836 CA VAL A 56 3.660 -2.130 1.977 1.00 0.00 C ATOM 837 C VAL A 56 4.681 -3.095 2.568 1.00 0.00 C ATOM 838 O VAL A 56 5.020 -4.107 1.956 1.00 0.00 O ATOM 839 CB VAL A 56 4.348 -0.782 1.692 1.00 0.00 C ATOM 840 CG1 VAL A 56 5.558 -0.979 0.792 1.00 0.00 C ATOM 841 CG2 VAL A 56 3.364 0.197 1.069 1.00 0.00 C ATOM 0 H VAL A 56 2.118 -1.026 2.870 1.00 0.00 H new ATOM 0 HA VAL A 56 3.278 -2.539 1.042 1.00 0.00 H new ATOM 0 HB VAL A 56 4.693 -0.363 2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.031 -0.015 0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.271 -1.643 1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.241 -1.420 -0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.867 1.144 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.987 -0.213 0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.532 0.362 1.754 1.00 0.00 H new ATOM 851 N GLU A 57 5.167 -2.774 3.763 1.00 0.00 N ATOM 852 CA GLU A 57 6.151 -3.613 4.438 1.00 0.00 C ATOM 853 C GLU A 57 5.734 -5.080 4.396 1.00 0.00 C ATOM 854 O GLU A 57 6.560 -5.964 4.174 1.00 0.00 O ATOM 855 CB GLU A 57 6.329 -3.162 5.889 1.00 0.00 C ATOM 856 CG GLU A 57 5.057 -3.254 6.715 1.00 0.00 C ATOM 857 CD GLU A 57 5.248 -2.765 8.137 1.00 0.00 C ATOM 858 OE1 GLU A 57 6.003 -1.789 8.334 1.00 0.00 O ATOM 859 OE2 GLU A 57 4.642 -3.358 9.055 1.00 0.00 O ATOM 0 H GLU A 57 4.896 -1.940 4.283 1.00 0.00 H new ATOM 0 HA GLU A 57 7.101 -3.508 3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.102 -3.771 6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.685 -2.132 5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.274 -2.667 6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.714 -4.289 6.734 1.00 0.00 H new ATOM 866 N GLU A 58 4.446 -5.330 4.612 1.00 0.00 N ATOM 867 CA GLU A 58 3.920 -6.690 4.601 1.00 0.00 C ATOM 868 C GLU A 58 4.111 -7.335 3.232 1.00 0.00 C ATOM 869 O GLU A 58 4.602 -8.458 3.127 1.00 0.00 O ATOM 870 CB GLU A 58 2.436 -6.689 4.975 1.00 0.00 C ATOM 871 CG GLU A 58 1.953 -8.011 5.548 1.00 0.00 C ATOM 872 CD GLU A 58 0.780 -7.842 6.494 1.00 0.00 C ATOM 873 OE1 GLU A 58 0.611 -6.731 7.039 1.00 0.00 O ATOM 874 OE2 GLU A 58 0.030 -8.822 6.689 1.00 0.00 O ATOM 0 H GLU A 58 3.748 -4.609 4.797 1.00 0.00 H new ATOM 0 HA GLU A 58 4.472 -7.273 5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.254 -5.899 5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.847 -6.449 4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.664 -8.673 4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.774 -8.496 6.076 1.00 0.00 H new ATOM 881 N ALA A 59 3.717 -6.617 2.186 1.00 0.00 N ATOM 882 CA ALA A 59 3.845 -7.118 0.823 1.00 0.00 C ATOM 883 C ALA A 59 5.282 -7.528 0.522 1.00 0.00 C ATOM 884 O ALA A 59 5.538 -8.637 0.051 1.00 0.00 O ATOM 885 CB ALA A 59 3.374 -6.068 -0.172 1.00 0.00 C ATOM 0 H ALA A 59 3.306 -5.686 2.256 1.00 0.00 H new ATOM 0 HA ALA A 59 3.215 -8.002 0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.475 -6.456 -1.186 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.329 -5.826 0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.980 -5.168 -0.066 1.00 0.00 H new ATOM 891 N LYS A 60 6.219 -6.626 0.795 1.00 0.00 N ATOM 892 CA LYS A 60 7.632 -6.893 0.554 1.00 0.00 C ATOM 893 C LYS A 60 8.032 -8.256 1.112 1.00 0.00 C ATOM 894 O LYS A 60 8.778 -9.001 0.479 1.00 0.00 O ATOM 895 CB LYS A 60 8.495 -5.799 1.187 1.00 0.00 C ATOM 896 CG LYS A 60 8.323 -4.437 0.536 1.00 0.00 C ATOM 897 CD LYS A 60 9.537 -3.553 0.766 1.00 0.00 C ATOM 898 CE LYS A 60 9.198 -2.082 0.580 1.00 0.00 C ATOM 899 NZ LYS A 60 9.143 -1.703 -0.859 1.00 0.00 N ATOM 0 H LYS A 60 6.025 -5.703 1.184 1.00 0.00 H new ATOM 0 HA LYS A 60 7.795 -6.899 -0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.248 -5.720 2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.543 -6.093 1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.160 -4.562 -0.534 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.435 -3.950 0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.921 -3.715 1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.330 -3.835 0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.237 -1.869 1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.943 -1.470 1.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.909 -0.693 -0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.067 -1.883 -1.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.414 -2.268 -1.339 1.00 0.00 H new ATOM 913 N ALA A 61 7.528 -8.574 2.300 1.00 0.00 N ATOM 914 CA ALA A 61 7.830 -9.848 2.941 1.00 0.00 C ATOM 915 C ALA A 61 7.609 -11.012 1.980 1.00 0.00 C ATOM 916 O ALA A 61 8.490 -11.851 1.796 1.00 0.00 O ATOM 917 CB ALA A 61 6.979 -10.025 4.190 1.00 0.00 C ATOM 0 H ALA A 61 6.909 -7.967 2.838 1.00 0.00 H new ATOM 0 HA ALA A 61 8.881 -9.842 3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.215 -10.980 4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.188 -9.216 4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.924 -10.005 3.917 1.00 0.00 H new ATOM 923 N GLU A 62 6.428 -11.055 1.372 1.00 0.00 N ATOM 924 CA GLU A 62 6.093 -12.118 0.431 1.00 0.00 C ATOM 925 C GLU A 62 7.272 -12.422 -0.489 1.00 0.00 C ATOM 926 O GLU A 62 7.801 -13.534 -0.493 1.00 0.00 O ATOM 927 CB GLU A 62 4.871 -11.726 -0.401 1.00 0.00 C ATOM 928 CG GLU A 62 3.547 -12.049 0.272 1.00 0.00 C ATOM 929 CD GLU A 62 3.498 -13.464 0.813 1.00 0.00 C ATOM 930 OE1 GLU A 62 3.582 -14.411 0.004 1.00 0.00 O ATOM 931 OE2 GLU A 62 3.375 -13.625 2.045 1.00 0.00 O ATOM 0 H GLU A 62 5.688 -10.367 1.514 1.00 0.00 H new ATOM 0 HA GLU A 62 5.861 -13.016 1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.912 -10.657 -0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.916 -12.240 -1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.377 -11.346 1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.736 -11.909 -0.443 1.00 0.00 H new ATOM 938 N LYS A 63 7.679 -11.426 -1.268 1.00 0.00 N ATOM 939 CA LYS A 63 8.796 -11.584 -2.192 1.00 0.00 C ATOM 940 C LYS A 63 10.127 -11.375 -1.478 1.00 0.00 C ATOM 941 O LYS A 63 10.630 -10.254 -1.399 1.00 0.00 O ATOM 942 CB LYS A 63 8.667 -10.595 -3.353 1.00 0.00 C ATOM 943 CG LYS A 63 9.900 -10.533 -4.239 1.00 0.00 C ATOM 944 CD LYS A 63 10.048 -9.169 -4.893 1.00 0.00 C ATOM 945 CE LYS A 63 10.749 -9.270 -6.239 1.00 0.00 C ATOM 946 NZ LYS A 63 9.833 -9.763 -7.305 1.00 0.00 N ATOM 0 H LYS A 63 7.252 -10.500 -1.278 1.00 0.00 H new ATOM 0 HA LYS A 63 8.770 -12.601 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.806 -10.872 -3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.467 -9.601 -2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.788 -10.751 -3.645 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.835 -11.302 -5.009 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.064 -8.720 -5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.613 -8.508 -4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.140 -8.292 -6.519 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.603 -9.942 -6.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.392 -10.168 -8.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.205 -10.493 -6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.262 -8.972 -7.665 1.00 0.00 H new ATOM 960 N GLU A 64 10.694 -12.461 -0.962 1.00 0.00 N ATOM 961 CA GLU A 64 11.967 -12.395 -0.255 1.00 0.00 C ATOM 962 C GLU A 64 12.753 -13.692 -0.428 1.00 0.00 C ATOM 963 O GLU A 64 12.270 -14.649 -1.034 1.00 0.00 O ATOM 964 CB GLU A 64 11.737 -12.120 1.232 1.00 0.00 C ATOM 965 CG GLU A 64 11.200 -10.728 1.518 1.00 0.00 C ATOM 966 CD GLU A 64 12.258 -9.652 1.367 1.00 0.00 C ATOM 967 OE1 GLU A 64 13.143 -9.807 0.500 1.00 0.00 O ATOM 968 OE2 GLU A 64 12.199 -8.655 2.116 1.00 0.00 O ATOM 0 H GLU A 64 10.292 -13.397 -1.020 1.00 0.00 H new ATOM 0 HA GLU A 64 12.548 -11.578 -0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.038 -12.858 1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.677 -12.255 1.767 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.372 -10.516 0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.799 -10.698 2.531 1.00 0.00 H new ATOM 975 N THR A 65 13.969 -13.716 0.108 1.00 0.00 N ATOM 976 CA THR A 65 14.824 -14.893 0.013 1.00 0.00 C ATOM 977 C THR A 65 14.126 -16.126 0.575 1.00 0.00 C ATOM 978 O THR A 65 14.211 -17.213 0.003 1.00 0.00 O ATOM 979 CB THR A 65 16.154 -14.684 0.761 1.00 0.00 C ATOM 980 OG1 THR A 65 16.970 -15.855 0.646 1.00 0.00 O ATOM 981 CG2 THR A 65 15.906 -14.375 2.229 1.00 0.00 C ATOM 0 H THR A 65 14.384 -12.933 0.613 1.00 0.00 H new ATOM 0 HA THR A 65 15.032 -15.047 -1.046 1.00 0.00 H new ATOM 0 HB THR A 65 16.670 -13.836 0.310 1.00 0.00 H new ATOM 0 HG1 THR A 65 17.814 -15.713 1.123 1.00 0.00 H new ATOM 0 HG21 THR A 65 16.860 -14.231 2.737 1.00 0.00 H new ATOM 0 HG22 THR A 65 15.309 -13.467 2.314 1.00 0.00 H new ATOM 0 HG23 THR A 65 15.371 -15.205 2.690 1.00 0.00 H new ATOM 989 N GLU A 66 13.436 -15.950 1.697 1.00 0.00 N ATOM 990 CA GLU A 66 12.723 -17.050 2.336 1.00 0.00 C ATOM 991 C GLU A 66 11.515 -17.471 1.505 1.00 0.00 C ATOM 992 O GLU A 66 10.638 -16.659 1.209 1.00 0.00 O ATOM 993 CB GLU A 66 12.274 -16.648 3.742 1.00 0.00 C ATOM 994 CG GLU A 66 12.125 -17.824 4.693 1.00 0.00 C ATOM 995 CD GLU A 66 13.389 -18.654 4.796 1.00 0.00 C ATOM 996 OE1 GLU A 66 14.479 -18.114 4.513 1.00 0.00 O ATOM 997 OE2 GLU A 66 13.289 -19.844 5.161 1.00 0.00 O ATOM 0 H GLU A 66 13.355 -15.057 2.182 1.00 0.00 H new ATOM 0 HA GLU A 66 13.405 -17.897 2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.996 -15.945 4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.321 -16.124 3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.856 -17.454 5.682 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.305 -18.458 4.355 1.00 0.00 H new ATOM 1004 N SER A 67 11.477 -18.746 1.130 1.00 0.00 N ATOM 1005 CA SER A 67 10.379 -19.275 0.329 1.00 0.00 C ATOM 1006 C SER A 67 9.322 -19.925 1.218 1.00 0.00 C ATOM 1007 O SER A 67 9.643 -20.707 2.111 1.00 0.00 O ATOM 1008 CB SER A 67 10.904 -20.292 -0.686 1.00 0.00 C ATOM 1009 OG SER A 67 11.428 -19.644 -1.832 1.00 0.00 O ATOM 0 H SER A 67 12.194 -19.432 1.368 1.00 0.00 H new ATOM 0 HA SER A 67 9.918 -18.444 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.679 -20.905 -0.225 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.099 -20.965 -0.981 1.00 0.00 H new ATOM 0 HG SER A 67 11.759 -20.315 -2.465 1.00 0.00 H new ATOM 1015 N GLY A 68 8.060 -19.594 0.964 1.00 0.00 N ATOM 1016 CA GLY A 68 6.974 -20.154 1.748 1.00 0.00 C ATOM 1017 C GLY A 68 7.073 -21.661 1.882 1.00 0.00 C ATOM 1018 O GLY A 68 7.423 -22.368 0.937 1.00 0.00 O ATOM 0 H GLY A 68 7.770 -18.948 0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.976 -19.703 2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.023 -19.895 1.283 1.00 0.00 H new ATOM 1022 N PRO A 69 6.760 -22.174 3.081 1.00 0.00 N ATOM 1023 CA PRO A 69 6.808 -23.612 3.364 1.00 0.00 C ATOM 1024 C PRO A 69 5.711 -24.382 2.638 1.00 0.00 C ATOM 1025 O PRO A 69 5.630 -25.607 2.737 1.00 0.00 O ATOM 1026 CB PRO A 69 6.599 -23.682 4.879 1.00 0.00 C ATOM 1027 CG PRO A 69 5.851 -22.439 5.216 1.00 0.00 C ATOM 1028 CD PRO A 69 6.334 -21.390 4.253 1.00 0.00 C ATOM 0 HA PRO A 69 7.741 -24.063 3.028 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.035 -24.572 5.160 1.00 0.00 H new ATOM 0 HB3 PRO A 69 7.551 -23.727 5.408 1.00 0.00 H new ATOM 0 HG2 PRO A 69 4.776 -22.592 5.119 1.00 0.00 H new ATOM 0 HG3 PRO A 69 6.038 -22.138 6.247 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.544 -20.684 3.998 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.158 -20.810 4.670 1.00 0.00 H new ATOM 1036 N SER A 70 4.868 -23.658 1.909 1.00 0.00 N ATOM 1037 CA SER A 70 3.773 -24.274 1.169 1.00 0.00 C ATOM 1038 C SER A 70 4.186 -24.563 -0.271 1.00 0.00 C ATOM 1039 O SER A 70 5.259 -24.156 -0.715 1.00 0.00 O ATOM 1040 CB SER A 70 2.543 -23.365 1.186 1.00 0.00 C ATOM 1041 OG SER A 70 2.074 -23.167 2.509 1.00 0.00 O ATOM 0 H SER A 70 4.922 -22.644 1.815 1.00 0.00 H new ATOM 0 HA SER A 70 3.525 -25.218 1.654 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.791 -22.403 0.737 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.753 -23.806 0.579 1.00 0.00 H new ATOM 0 HG SER A 70 1.288 -22.581 2.493 1.00 0.00 H new ATOM 1047 N SER A 71 3.324 -25.270 -0.996 1.00 0.00 N ATOM 1048 CA SER A 71 3.599 -25.617 -2.386 1.00 0.00 C ATOM 1049 C SER A 71 3.047 -24.555 -3.331 1.00 0.00 C ATOM 1050 O SER A 71 2.272 -23.690 -2.926 1.00 0.00 O ATOM 1051 CB SER A 71 2.992 -26.981 -2.722 1.00 0.00 C ATOM 1052 OG SER A 71 3.606 -27.544 -3.868 1.00 0.00 O ATOM 0 H SER A 71 2.430 -25.613 -0.644 1.00 0.00 H new ATOM 0 HA SER A 71 4.680 -25.666 -2.516 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.112 -27.655 -1.874 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.921 -26.873 -2.895 1.00 0.00 H new ATOM 0 HG SER A 71 3.202 -28.416 -4.061 1.00 0.00 H new ATOM 1058 N GLY A 72 3.453 -24.628 -4.595 1.00 0.00 N ATOM 1059 CA GLY A 72 2.991 -23.667 -5.580 1.00 0.00 C ATOM 1060 C GLY A 72 3.749 -22.357 -5.512 1.00 0.00 C ATOM 1061 O GLY A 72 3.815 -21.758 -4.439 1.00 0.00 O ATOM 0 H GLY A 72 4.094 -25.336 -4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 72 3.098 -24.094 -6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.929 -23.477 -5.427 1.00 0.00 H new TER 1065 GLY A 72 HETATM 1066 ZN ZN A 200 -6.333 7.674 -1.066 1.00 0.00 ZN HETATM 1067 ZN ZN A 400 -7.473 -2.549 -5.332 1.00 0.00 ZN