USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 651 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 83 SER OG : rot -134:sc= 0.532 USER MOD Set 1.2: A 85 THR OG1 : rot 180:sc= 0.298 USER MOD Set 2.1: A 46 GLN : amide:sc= -0.111 K(o=-0.55,f=-1.3) USER MOD Set 2.2: A 89 ASN : amide:sc= -0.44 K(o=-0.55,f=-1.3) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0347 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -85:sc= 0.115 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0882 USER MOD Single : A 19 THR OG1 : rot -85:sc= 1.05 USER MOD Single : A 25 SER OG : rot 170:sc= 0.0873 USER MOD Single : A 27 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0168 X(o=-0.017,f=-0.017) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.6) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 97:sc= 0.118 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.638 K(o=-0.64,f=-3.4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 66 ASN : amide:sc= -1.76 K(o=-1.8,f=-2.8) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.416 K(o=0.42,f=-2.3!) USER MOD Single : A 80 TYR OH : rot 55:sc= 0.249 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -13:sc= 0.858 USER MOD Single : A 86 THR OG1 : rot -173:sc= 1 USER MOD Single : A 87 ASN : amide:sc= -0.561 K(o=-0.56,f=-3.5!) USER MOD Single : A 90 THR OG1 : rot 42:sc= 0.192 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.731 -0.096 0.420 1.00 0.00 N ATOM 2 CA ALA A 1 1.946 0.145 -1.001 1.00 0.00 C ATOM 3 C ALA A 1 2.725 1.437 -1.227 1.00 0.00 C ATOM 4 O ALA A 1 2.137 2.506 -1.389 1.00 0.00 O ATOM 5 CB ALA A 1 0.614 0.194 -1.735 1.00 0.00 C ATOM 0 H1 ALA A 1 1.199 -0.981 0.545 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.649 -0.173 0.902 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.191 0.693 0.828 1.00 0.00 H new ATOM 0 HA ALA A 1 2.538 -0.679 -1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.789 0.375 -2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.094 -0.756 -1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.003 0.999 -1.326 1.00 0.00 H new ATOM 11 N ILE A 2 4.049 1.329 -1.236 1.00 0.00 N ATOM 12 CA ILE A 2 4.907 2.489 -1.443 1.00 0.00 C ATOM 13 C ILE A 2 4.905 2.921 -2.905 1.00 0.00 C ATOM 14 O ILE A 2 5.329 2.172 -3.785 1.00 0.00 O ATOM 15 CB ILE A 2 6.356 2.202 -1.006 1.00 0.00 C ATOM 16 CG1 ILE A 2 6.407 1.877 0.488 1.00 0.00 C ATOM 17 CG2 ILE A 2 7.251 3.391 -1.325 1.00 0.00 C ATOM 18 CD1 ILE A 2 6.152 0.418 0.797 1.00 0.00 C ATOM 0 H ILE A 2 4.551 0.451 -1.103 1.00 0.00 H new ATOM 0 HA ILE A 2 4.503 3.294 -0.829 1.00 0.00 H new ATOM 0 HB ILE A 2 6.722 1.337 -1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.385 2.158 0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.668 2.485 1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.272 3.173 -1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.235 3.581 -2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.888 4.272 -0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.203 0.260 1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.163 0.137 0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 2 6.906 -0.196 0.304 1.00 0.00 H new ATOM 30 N SER A 3 4.426 4.136 -3.157 1.00 0.00 N ATOM 31 CA SER A 3 4.367 4.668 -4.513 1.00 0.00 C ATOM 32 C SER A 3 5.591 5.528 -4.813 1.00 0.00 C ATOM 33 O SER A 3 6.503 5.104 -5.524 1.00 0.00 O ATOM 34 CB SER A 3 3.092 5.491 -4.705 1.00 0.00 C ATOM 35 OG SER A 3 3.245 6.431 -5.755 1.00 0.00 O ATOM 0 H SER A 3 4.073 4.770 -2.440 1.00 0.00 H new ATOM 0 HA SER A 3 4.357 3.827 -5.207 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.257 4.827 -4.926 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.849 6.012 -3.779 1.00 0.00 H new ATOM 0 HG SER A 3 2.416 6.943 -5.859 1.00 0.00 H new ATOM 41 N CYS A 4 5.604 6.739 -4.267 1.00 0.00 N ATOM 42 CA CYS A 4 6.714 7.661 -4.475 1.00 0.00 C ATOM 43 C CYS A 4 6.519 8.939 -3.664 1.00 0.00 C ATOM 44 O CYS A 4 7.460 9.455 -3.063 1.00 0.00 O ATOM 45 CB CYS A 4 6.850 8.002 -5.960 1.00 0.00 C ATOM 46 SG CYS A 4 8.560 7.940 -6.584 1.00 0.00 S ATOM 0 H CYS A 4 4.857 7.105 -3.676 1.00 0.00 H new ATOM 0 HA CYS A 4 7.628 7.172 -4.136 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.238 7.309 -6.538 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.448 9.001 -6.131 1.00 0.00 H new ATOM 51 N GLY A 5 5.289 9.444 -3.652 1.00 0.00 N ATOM 52 CA GLY A 5 4.992 10.657 -2.913 1.00 0.00 C ATOM 53 C GLY A 5 5.395 10.560 -1.454 1.00 0.00 C ATOM 54 O GLY A 5 5.829 11.544 -0.857 1.00 0.00 O ATOM 0 H GLY A 5 4.493 9.035 -4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.511 11.497 -3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.924 10.867 -2.979 1.00 0.00 H new ATOM 58 N ALA A 6 5.248 9.370 -0.880 1.00 0.00 N ATOM 59 CA ALA A 6 5.600 9.149 0.517 1.00 0.00 C ATOM 60 C ALA A 6 7.111 9.033 0.691 1.00 0.00 C ATOM 61 O ALA A 6 7.648 9.327 1.759 1.00 0.00 O ATOM 62 CB ALA A 6 4.910 7.900 1.044 1.00 0.00 C ATOM 0 H ALA A 6 4.888 8.545 -1.360 1.00 0.00 H new ATOM 0 HA ALA A 6 5.259 10.010 1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.182 7.747 2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.830 8.020 0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.223 7.036 0.457 1.00 0.00 H new ATOM 68 N VAL A 7 7.792 8.602 -0.366 1.00 0.00 N ATOM 69 CA VAL A 7 9.242 8.448 -0.330 1.00 0.00 C ATOM 70 C VAL A 7 9.940 9.802 -0.394 1.00 0.00 C ATOM 71 O VAL A 7 10.983 10.006 0.228 1.00 0.00 O ATOM 72 CB VAL A 7 9.742 7.569 -1.492 1.00 0.00 C ATOM 73 CG1 VAL A 7 11.249 7.381 -1.410 1.00 0.00 C ATOM 74 CG2 VAL A 7 9.028 6.226 -1.488 1.00 0.00 C ATOM 0 H VAL A 7 7.363 8.353 -1.258 1.00 0.00 H new ATOM 0 HA VAL A 7 9.486 7.961 0.614 1.00 0.00 H new ATOM 0 HB VAL A 7 9.514 8.074 -2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.584 6.757 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.740 8.352 -1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.505 6.898 -0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.393 5.617 -2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.223 5.713 -0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.955 6.384 -1.600 1.00 0.00 H new ATOM 84 N THR A 8 9.359 10.726 -1.152 1.00 0.00 N ATOM 85 CA THR A 8 9.925 12.061 -1.299 1.00 0.00 C ATOM 86 C THR A 8 9.709 12.891 -0.039 1.00 0.00 C ATOM 87 O THR A 8 10.446 13.842 0.223 1.00 0.00 O ATOM 88 CB THR A 8 9.310 12.803 -2.501 1.00 0.00 C ATOM 89 OG1 THR A 8 9.087 11.888 -3.580 1.00 0.00 O ATOM 90 CG2 THR A 8 10.221 13.929 -2.965 1.00 0.00 C ATOM 0 H THR A 8 8.496 10.574 -1.674 1.00 0.00 H new ATOM 0 HA THR A 8 10.994 11.934 -1.469 1.00 0.00 H new ATOM 0 HB THR A 8 8.359 13.232 -2.187 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.694 12.367 -4.339 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.766 14.438 -3.814 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.365 14.639 -2.151 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.185 13.517 -3.263 1.00 0.00 H new ATOM 98 N SER A 9 8.695 12.526 0.738 1.00 0.00 N ATOM 99 CA SER A 9 8.381 13.240 1.970 1.00 0.00 C ATOM 100 C SER A 9 9.555 13.189 2.943 1.00 0.00 C ATOM 101 O SER A 9 9.950 14.208 3.510 1.00 0.00 O ATOM 102 CB SER A 9 7.134 12.643 2.627 1.00 0.00 C ATOM 103 OG SER A 9 7.480 11.607 3.530 1.00 0.00 O ATOM 0 H SER A 9 8.077 11.740 0.537 1.00 0.00 H new ATOM 0 HA SER A 9 8.187 14.282 1.717 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.589 13.424 3.157 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.466 12.253 1.859 1.00 0.00 H new ATOM 0 HG SER A 9 7.567 10.762 3.041 1.00 0.00 H new ATOM 109 N ASP A 10 10.109 11.996 3.129 1.00 0.00 N ATOM 110 CA ASP A 10 11.239 11.811 4.032 1.00 0.00 C ATOM 111 C ASP A 10 12.537 12.282 3.382 1.00 0.00 C ATOM 112 O ASP A 10 13.506 12.606 4.070 1.00 0.00 O ATOM 113 CB ASP A 10 11.362 10.340 4.435 1.00 0.00 C ATOM 114 CG ASP A 10 10.012 9.690 4.670 1.00 0.00 C ATOM 115 OD1 ASP A 10 9.105 10.376 5.186 1.00 0.00 O ATOM 116 OD2 ASP A 10 9.863 8.495 4.338 1.00 0.00 O ATOM 0 H ASP A 10 9.794 11.143 2.667 1.00 0.00 H new ATOM 0 HA ASP A 10 11.061 12.411 4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.893 9.796 3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.962 10.263 5.342 1.00 0.00 H new ATOM 121 N LEU A 11 12.548 12.317 2.054 1.00 0.00 N ATOM 122 CA LEU A 11 13.727 12.749 1.310 1.00 0.00 C ATOM 123 C LEU A 11 13.963 14.245 1.485 1.00 0.00 C ATOM 124 O LEU A 11 15.105 14.703 1.529 1.00 0.00 O ATOM 125 CB LEU A 11 13.568 12.415 -0.174 1.00 0.00 C ATOM 126 CG LEU A 11 13.821 10.959 -0.565 1.00 0.00 C ATOM 127 CD1 LEU A 11 13.203 10.655 -1.922 1.00 0.00 C ATOM 128 CD2 LEU A 11 15.314 10.662 -0.579 1.00 0.00 C ATOM 0 H LEU A 11 11.755 12.052 1.470 1.00 0.00 H new ATOM 0 HA LEU A 11 14.592 12.216 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.556 12.682 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.250 13.047 -0.743 1.00 0.00 H new ATOM 0 HG LEU A 11 13.349 10.316 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.393 9.614 -2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.128 10.827 -1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.645 11.305 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.475 9.621 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.808 11.313 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.730 10.839 0.413 1.00 0.00 H new ATOM 140 N SER A 12 12.876 15.003 1.584 1.00 0.00 N ATOM 141 CA SER A 12 12.965 16.449 1.752 1.00 0.00 C ATOM 142 C SER A 12 13.855 16.804 2.939 1.00 0.00 C ATOM 143 O SER A 12 14.856 17.509 2.808 1.00 0.00 O ATOM 144 CB SER A 12 11.570 17.047 1.949 1.00 0.00 C ATOM 145 OG SER A 12 11.623 18.206 2.763 1.00 0.00 O ATOM 0 H SER A 12 11.923 14.640 1.551 1.00 0.00 H new ATOM 0 HA SER A 12 13.409 16.869 0.849 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.138 17.298 0.980 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.915 16.306 2.407 1.00 0.00 H new ATOM 0 HG SER A 12 10.720 18.570 2.873 1.00 0.00 H new ATOM 151 N PRO A 13 13.482 16.306 4.127 1.00 0.00 N ATOM 152 CA PRO A 13 14.233 16.556 5.362 1.00 0.00 C ATOM 153 C PRO A 13 15.581 15.844 5.375 1.00 0.00 C ATOM 154 O PRO A 13 16.505 16.256 6.076 1.00 0.00 O ATOM 155 CB PRO A 13 13.319 15.993 6.453 1.00 0.00 C ATOM 156 CG PRO A 13 12.497 14.960 5.763 1.00 0.00 C ATOM 157 CD PRO A 13 12.300 15.459 4.358 1.00 0.00 C ATOM 0 HA PRO A 13 14.469 17.612 5.489 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.897 15.559 7.269 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.693 16.773 6.886 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.001 13.993 5.767 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.540 14.823 6.266 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.249 14.637 3.643 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.374 16.026 4.259 1.00 0.00 H new ATOM 165 N CYS A 14 15.686 14.773 4.595 1.00 0.00 N ATOM 166 CA CYS A 14 16.922 14.002 4.517 1.00 0.00 C ATOM 167 C CYS A 14 17.896 14.635 3.528 1.00 0.00 C ATOM 168 O CYS A 14 19.084 14.309 3.514 1.00 0.00 O ATOM 169 CB CYS A 14 16.622 12.560 4.103 1.00 0.00 C ATOM 170 SG CYS A 14 15.973 11.519 5.450 1.00 0.00 S ATOM 0 H CYS A 14 14.930 14.419 4.008 1.00 0.00 H new ATOM 0 HA CYS A 14 17.384 14.001 5.504 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.900 12.571 3.286 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.535 12.107 3.716 1.00 0.00 H new ATOM 175 N LEU A 15 17.386 15.542 2.702 1.00 0.00 N ATOM 176 CA LEU A 15 18.210 16.222 1.709 1.00 0.00 C ATOM 177 C LEU A 15 19.261 17.099 2.382 1.00 0.00 C ATOM 178 O LEU A 15 20.440 17.057 2.029 1.00 0.00 O ATOM 179 CB LEU A 15 17.335 17.072 0.787 1.00 0.00 C ATOM 180 CG LEU A 15 16.832 16.385 -0.483 1.00 0.00 C ATOM 181 CD1 LEU A 15 15.985 17.341 -1.308 1.00 0.00 C ATOM 182 CD2 LEU A 15 18.001 15.860 -1.304 1.00 0.00 C ATOM 0 H LEU A 15 16.406 15.823 2.700 1.00 0.00 H new ATOM 0 HA LEU A 15 18.722 15.463 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.471 17.417 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.901 17.958 0.497 1.00 0.00 H new ATOM 0 HG LEU A 15 16.209 15.539 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.636 16.834 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.127 17.667 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.583 18.208 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.624 15.374 -2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.650 16.689 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.567 15.140 -0.713 1.00 0.00 H new ATOM 194 N THR A 16 18.827 17.893 3.356 1.00 0.00 N ATOM 195 CA THR A 16 19.730 18.779 4.080 1.00 0.00 C ATOM 196 C THR A 16 20.952 18.023 4.588 1.00 0.00 C ATOM 197 O THR A 16 22.067 18.546 4.575 1.00 0.00 O ATOM 198 CB THR A 16 19.023 19.449 5.273 1.00 0.00 C ATOM 199 OG1 THR A 16 17.799 20.054 4.840 1.00 0.00 O ATOM 200 CG2 THR A 16 19.917 20.502 5.910 1.00 0.00 C ATOM 0 H THR A 16 17.855 17.940 3.662 1.00 0.00 H new ATOM 0 HA THR A 16 20.048 19.549 3.377 1.00 0.00 H new ATOM 0 HB THR A 16 18.806 18.682 6.016 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.355 20.476 5.604 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.396 20.961 6.750 1.00 0.00 H new ATOM 0 HG22 THR A 16 20.835 20.034 6.264 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.161 21.267 5.172 1.00 0.00 H new ATOM 208 N TYR A 17 20.736 16.791 5.034 1.00 0.00 N ATOM 209 CA TYR A 17 21.821 15.963 5.548 1.00 0.00 C ATOM 210 C TYR A 17 22.530 15.228 4.415 1.00 0.00 C ATOM 211 O TYR A 17 23.743 15.016 4.459 1.00 0.00 O ATOM 212 CB TYR A 17 21.284 14.956 6.566 1.00 0.00 C ATOM 213 CG TYR A 17 22.367 14.260 7.360 1.00 0.00 C ATOM 214 CD1 TYR A 17 23.455 14.968 7.856 1.00 0.00 C ATOM 215 CD2 TYR A 17 22.303 12.895 7.611 1.00 0.00 C ATOM 216 CE1 TYR A 17 24.447 14.337 8.581 1.00 0.00 C ATOM 217 CE2 TYR A 17 23.290 12.256 8.336 1.00 0.00 C ATOM 218 CZ TYR A 17 24.360 12.981 8.818 1.00 0.00 C ATOM 219 OH TYR A 17 25.346 12.347 9.540 1.00 0.00 O ATOM 0 H TYR A 17 19.820 16.343 5.050 1.00 0.00 H new ATOM 0 HA TYR A 17 22.541 16.617 6.039 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.614 15.471 7.255 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.689 14.206 6.044 1.00 0.00 H new ATOM 0 HD1 TYR A 17 23.526 16.030 7.671 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.468 12.324 7.233 1.00 0.00 H new ATOM 0 HE1 TYR A 17 25.286 14.902 8.960 1.00 0.00 H new ATOM 0 HE2 TYR A 17 23.224 11.195 8.524 1.00 0.00 H new ATOM 0 HH TYR A 17 25.133 11.394 9.618 1.00 0.00 H new ATOM 229 N LEU A 18 21.765 14.842 3.399 1.00 0.00 N ATOM 230 CA LEU A 18 22.318 14.131 2.252 1.00 0.00 C ATOM 231 C LEU A 18 23.137 15.071 1.372 1.00 0.00 C ATOM 232 O LEU A 18 23.817 14.634 0.443 1.00 0.00 O ATOM 233 CB LEU A 18 21.195 13.495 1.431 1.00 0.00 C ATOM 234 CG LEU A 18 20.746 12.103 1.875 1.00 0.00 C ATOM 235 CD1 LEU A 18 19.593 11.614 1.011 1.00 0.00 C ATOM 236 CD2 LEU A 18 21.909 11.124 1.819 1.00 0.00 C ATOM 0 H LEU A 18 20.760 15.010 3.347 1.00 0.00 H new ATOM 0 HA LEU A 18 22.976 13.346 2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.331 14.159 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.520 13.436 0.392 1.00 0.00 H new ATOM 0 HG LEU A 18 20.400 12.166 2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.286 10.622 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.753 12.302 1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.913 11.567 -0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.571 10.138 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.286 11.065 0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 18 22.705 11.466 2.480 1.00 0.00 H new ATOM 248 N THR A 19 23.069 16.364 1.673 1.00 0.00 N ATOM 249 CA THR A 19 23.805 17.365 0.911 1.00 0.00 C ATOM 250 C THR A 19 25.135 17.696 1.577 1.00 0.00 C ATOM 251 O THR A 19 26.006 18.320 0.972 1.00 0.00 O ATOM 252 CB THR A 19 22.987 18.661 0.751 1.00 0.00 C ATOM 253 OG1 THR A 19 22.245 18.923 1.947 1.00 0.00 O ATOM 254 CG2 THR A 19 22.035 18.559 -0.431 1.00 0.00 C ATOM 0 H THR A 19 22.512 16.742 2.439 1.00 0.00 H new ATOM 0 HA THR A 19 23.993 16.938 -0.074 1.00 0.00 H new ATOM 0 HB THR A 19 23.681 19.481 0.568 1.00 0.00 H new ATOM 0 HG1 THR A 19 21.399 18.430 1.922 1.00 0.00 H new ATOM 0 HG21 THR A 19 21.469 19.486 -0.523 1.00 0.00 H new ATOM 0 HG22 THR A 19 22.606 18.390 -1.344 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.347 17.728 -0.274 1.00 0.00 H new ATOM 262 N GLY A 20 25.286 17.273 2.829 1.00 0.00 N ATOM 263 CA GLY A 20 26.514 17.533 3.556 1.00 0.00 C ATOM 264 C GLY A 20 26.313 18.501 4.706 1.00 0.00 C ATOM 265 O GLY A 20 27.278 18.973 5.305 1.00 0.00 O ATOM 0 H GLY A 20 24.580 16.755 3.352 1.00 0.00 H new ATOM 0 HA2 GLY A 20 26.911 16.594 3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.260 17.937 2.871 1.00 0.00 H new ATOM 269 N GLY A 21 25.054 18.798 5.014 1.00 0.00 N ATOM 270 CA GLY A 21 24.753 19.716 6.097 1.00 0.00 C ATOM 271 C GLY A 21 24.621 19.012 7.433 1.00 0.00 C ATOM 272 O GLY A 21 25.033 17.864 7.597 1.00 0.00 O ATOM 0 H GLY A 21 24.238 18.420 4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 21 25.540 20.467 6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.826 20.244 5.875 1.00 0.00 H new ATOM 276 N PRO A 22 24.036 19.710 8.418 1.00 0.00 N ATOM 277 CA PRO A 22 23.839 19.165 9.765 1.00 0.00 C ATOM 278 C PRO A 22 22.792 18.056 9.794 1.00 0.00 C ATOM 279 O PRO A 22 21.757 18.149 9.136 1.00 0.00 O ATOM 280 CB PRO A 22 23.360 20.375 10.571 1.00 0.00 C ATOM 281 CG PRO A 22 22.739 21.279 9.563 1.00 0.00 C ATOM 282 CD PRO A 22 23.521 21.083 8.293 1.00 0.00 C ATOM 0 HA PRO A 22 24.748 18.708 10.157 1.00 0.00 H new ATOM 0 HB2 PRO A 22 22.641 20.082 11.336 1.00 0.00 H new ATOM 0 HB3 PRO A 22 24.189 20.863 11.083 1.00 0.00 H new ATOM 0 HG2 PRO A 22 21.687 21.035 9.415 1.00 0.00 H new ATOM 0 HG3 PRO A 22 22.782 22.317 9.891 1.00 0.00 H new ATOM 0 HD2 PRO A 22 22.890 21.197 7.411 1.00 0.00 H new ATOM 0 HD3 PRO A 22 24.329 21.809 8.203 1.00 0.00 H new ATOM 290 N GLY A 23 23.069 17.007 10.563 1.00 0.00 N ATOM 291 CA GLY A 23 22.141 15.896 10.664 1.00 0.00 C ATOM 292 C GLY A 23 22.800 14.635 11.186 1.00 0.00 C ATOM 293 O GLY A 23 23.914 14.663 11.709 1.00 0.00 O ATOM 0 H GLY A 23 23.919 16.907 11.118 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.319 16.172 11.324 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.709 15.697 9.683 1.00 0.00 H new ATOM 297 N PRO A 24 22.104 13.498 11.047 1.00 0.00 N ATOM 298 CA PRO A 24 20.776 13.453 10.426 1.00 0.00 C ATOM 299 C PRO A 24 19.709 14.115 11.291 1.00 0.00 C ATOM 300 O PRO A 24 19.667 13.914 12.505 1.00 0.00 O ATOM 301 CB PRO A 24 20.499 11.954 10.290 1.00 0.00 C ATOM 302 CG PRO A 24 21.325 11.317 11.354 1.00 0.00 C ATOM 303 CD PRO A 24 22.558 12.167 11.486 1.00 0.00 C ATOM 0 HA PRO A 24 20.750 13.993 9.480 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.440 11.733 10.426 1.00 0.00 H new ATOM 0 HB3 PRO A 24 20.777 11.588 9.301 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.780 11.272 12.297 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.584 10.293 11.086 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.925 12.186 12.512 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.371 11.794 10.863 1.00 0.00 H new ATOM 311 N SER A 25 18.848 14.906 10.658 1.00 0.00 N ATOM 312 CA SER A 25 17.783 15.601 11.371 1.00 0.00 C ATOM 313 C SER A 25 16.804 14.607 11.988 1.00 0.00 C ATOM 314 O SER A 25 16.778 13.426 11.641 1.00 0.00 O ATOM 315 CB SER A 25 17.039 16.546 10.425 1.00 0.00 C ATOM 316 OG SER A 25 17.085 16.071 9.090 1.00 0.00 O ATOM 0 H SER A 25 18.867 15.081 9.653 1.00 0.00 H new ATOM 0 HA SER A 25 18.236 16.184 12.173 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.001 16.643 10.744 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.482 17.540 10.476 1.00 0.00 H new ATOM 0 HG SER A 25 16.473 16.598 8.534 1.00 0.00 H new ATOM 322 N PRO A 26 15.978 15.095 12.925 1.00 0.00 N ATOM 323 CA PRO A 26 14.981 14.267 13.611 1.00 0.00 C ATOM 324 C PRO A 26 13.843 13.847 12.687 1.00 0.00 C ATOM 325 O PRO A 26 13.428 12.688 12.688 1.00 0.00 O ATOM 326 CB PRO A 26 14.459 15.185 14.719 1.00 0.00 C ATOM 327 CG PRO A 26 14.697 16.565 14.211 1.00 0.00 C ATOM 328 CD PRO A 26 15.954 16.493 13.388 1.00 0.00 C ATOM 0 HA PRO A 26 15.409 13.334 13.978 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.400 15.011 14.911 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.986 15.012 15.657 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.856 16.910 13.609 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.810 17.270 15.035 1.00 0.00 H new ATOM 0 HD2 PRO A 26 15.928 17.193 12.553 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.837 16.736 13.980 1.00 0.00 H new ATOM 336 N GLN A 27 13.343 14.796 11.902 1.00 0.00 N ATOM 337 CA GLN A 27 12.252 14.522 10.974 1.00 0.00 C ATOM 338 C GLN A 27 12.685 13.524 9.904 1.00 0.00 C ATOM 339 O GLN A 27 11.887 12.706 9.445 1.00 0.00 O ATOM 340 CB GLN A 27 11.777 15.819 10.316 1.00 0.00 C ATOM 341 CG GLN A 27 10.926 16.687 11.228 1.00 0.00 C ATOM 342 CD GLN A 27 11.040 18.163 10.902 1.00 0.00 C ATOM 343 OE1 GLN A 27 12.104 18.644 10.511 1.00 0.00 O ATOM 344 NE2 GLN A 27 9.941 18.892 11.062 1.00 0.00 N ATOM 0 H GLN A 27 13.676 15.760 11.890 1.00 0.00 H new ATOM 0 HA GLN A 27 11.428 14.086 11.539 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.646 16.391 9.991 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.203 15.574 9.422 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.883 16.380 11.146 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.226 16.523 12.263 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.080 18.452 11.388 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.958 19.891 10.859 1.00 0.00 H new ATOM 353 N CYS A 28 13.952 13.598 9.511 1.00 0.00 N ATOM 354 CA CYS A 28 14.491 12.702 8.495 1.00 0.00 C ATOM 355 C CYS A 28 14.504 11.260 8.993 1.00 0.00 C ATOM 356 O CYS A 28 14.001 10.356 8.325 1.00 0.00 O ATOM 357 CB CYS A 28 15.907 13.132 8.107 1.00 0.00 C ATOM 358 SG CYS A 28 16.832 11.877 7.164 1.00 0.00 S ATOM 0 H CYS A 28 14.625 14.269 9.881 1.00 0.00 H new ATOM 0 HA CYS A 28 13.847 12.759 7.617 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.849 14.046 7.516 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.463 13.374 9.013 1.00 0.00 H new ATOM 363 N CYS A 29 15.082 11.051 10.171 1.00 0.00 N ATOM 364 CA CYS A 29 15.162 9.720 10.760 1.00 0.00 C ATOM 365 C CYS A 29 13.788 9.056 10.790 1.00 0.00 C ATOM 366 O CYS A 29 13.633 7.909 10.372 1.00 0.00 O ATOM 367 CB CYS A 29 15.733 9.800 12.177 1.00 0.00 C ATOM 368 SG CYS A 29 17.540 10.020 12.240 1.00 0.00 S ATOM 0 H CYS A 29 15.503 11.788 10.737 1.00 0.00 H new ATOM 0 HA CYS A 29 15.826 9.115 10.142 1.00 0.00 H new ATOM 0 HB2 CYS A 29 15.258 10.629 12.702 1.00 0.00 H new ATOM 0 HB3 CYS A 29 15.470 8.889 12.715 1.00 0.00 H new ATOM 373 N GLY A 30 12.794 9.785 11.288 1.00 0.00 N ATOM 374 CA GLY A 30 11.447 9.251 11.363 1.00 0.00 C ATOM 375 C GLY A 30 10.937 8.773 10.018 1.00 0.00 C ATOM 376 O GLY A 30 10.364 7.689 9.913 1.00 0.00 O ATOM 0 H GLY A 30 12.898 10.736 11.641 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.427 8.423 12.071 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.776 10.018 11.751 1.00 0.00 H new ATOM 380 N GLY A 31 11.145 9.585 8.985 1.00 0.00 N ATOM 381 CA GLY A 31 10.694 9.222 7.654 1.00 0.00 C ATOM 382 C GLY A 31 11.447 8.033 7.091 1.00 0.00 C ATOM 383 O GLY A 31 10.854 7.151 6.470 1.00 0.00 O ATOM 0 H GLY A 31 11.617 10.487 9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.629 8.992 7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.817 10.075 6.987 1.00 0.00 H new ATOM 387 N VAL A 32 12.759 8.010 7.305 1.00 0.00 N ATOM 388 CA VAL A 32 13.595 6.921 6.814 1.00 0.00 C ATOM 389 C VAL A 32 13.074 5.570 7.292 1.00 0.00 C ATOM 390 O VAL A 32 12.755 4.695 6.487 1.00 0.00 O ATOM 391 CB VAL A 32 15.057 7.086 7.270 1.00 0.00 C ATOM 392 CG1 VAL A 32 15.919 5.962 6.716 1.00 0.00 C ATOM 393 CG2 VAL A 32 15.597 8.443 6.845 1.00 0.00 C ATOM 0 H VAL A 32 13.266 8.733 7.815 1.00 0.00 H new ATOM 0 HA VAL A 32 13.556 6.958 5.725 1.00 0.00 H new ATOM 0 HB VAL A 32 15.089 7.033 8.358 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.948 6.095 7.049 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.543 5.004 7.075 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.884 5.980 5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.631 8.543 7.175 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.553 8.528 5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.994 9.232 7.296 1.00 0.00 H new ATOM 403 N LYS A 33 12.991 5.406 8.608 1.00 0.00 N ATOM 404 CA LYS A 33 12.507 4.163 9.195 1.00 0.00 C ATOM 405 C LYS A 33 11.098 3.842 8.707 1.00 0.00 C ATOM 406 O LYS A 33 10.677 2.685 8.708 1.00 0.00 O ATOM 407 CB LYS A 33 12.520 4.257 10.723 1.00 0.00 C ATOM 408 CG LYS A 33 13.878 3.968 11.339 1.00 0.00 C ATOM 409 CD LYS A 33 13.876 4.221 12.837 1.00 0.00 C ATOM 410 CE LYS A 33 14.796 3.255 13.567 1.00 0.00 C ATOM 411 NZ LYS A 33 14.108 2.588 14.707 1.00 0.00 N ATOM 0 H LYS A 33 13.253 6.119 9.288 1.00 0.00 H new ATOM 0 HA LYS A 33 13.173 3.359 8.881 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.201 5.256 11.020 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.790 3.556 11.128 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.154 2.931 11.145 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.634 4.593 10.864 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.192 5.245 13.034 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.861 4.120 13.223 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.157 2.500 12.869 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.670 3.793 13.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.769 1.938 15.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.785 3.306 15.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.289 2.053 14.353 1.00 0.00 H new ATOM 425 N LYS A 34 10.373 4.874 8.289 1.00 0.00 N ATOM 426 CA LYS A 34 9.011 4.703 7.795 1.00 0.00 C ATOM 427 C LYS A 34 9.010 4.035 6.423 1.00 0.00 C ATOM 428 O LYS A 34 8.178 3.172 6.142 1.00 0.00 O ATOM 429 CB LYS A 34 8.302 6.056 7.715 1.00 0.00 C ATOM 430 CG LYS A 34 6.799 5.968 7.916 1.00 0.00 C ATOM 431 CD LYS A 34 6.043 6.496 6.708 1.00 0.00 C ATOM 432 CE LYS A 34 4.552 6.217 6.818 1.00 0.00 C ATOM 433 NZ LYS A 34 3.834 6.529 5.551 1.00 0.00 N ATOM 0 H LYS A 34 10.706 5.838 8.282 1.00 0.00 H new ATOM 0 HA LYS A 34 8.476 4.060 8.494 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.722 6.722 8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.504 6.506 6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.516 4.932 8.099 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.515 6.537 8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.207 7.570 6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.435 6.034 5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.397 5.169 7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.131 6.810 7.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.821 6.325 5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.961 7.535 5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.218 5.945 4.781 1.00 0.00 H new ATOM 447 N LEU A 35 9.948 4.438 5.573 1.00 0.00 N ATOM 448 CA LEU A 35 10.057 3.878 4.231 1.00 0.00 C ATOM 449 C LEU A 35 10.442 2.403 4.286 1.00 0.00 C ATOM 450 O LEU A 35 9.925 1.586 3.522 1.00 0.00 O ATOM 451 CB LEU A 35 11.090 4.656 3.414 1.00 0.00 C ATOM 452 CG LEU A 35 11.099 4.382 1.909 1.00 0.00 C ATOM 453 CD1 LEU A 35 11.742 5.540 1.161 1.00 0.00 C ATOM 454 CD2 LEU A 35 11.827 3.080 1.608 1.00 0.00 C ATOM 0 H LEU A 35 10.644 5.151 5.790 1.00 0.00 H new ATOM 0 HA LEU A 35 9.083 3.963 3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.918 5.721 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.081 4.432 3.810 1.00 0.00 H new ATOM 0 HG LEU A 35 10.068 4.284 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.740 5.328 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.179 6.454 1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.769 5.669 1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.823 2.901 0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.856 3.148 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.324 2.256 2.114 1.00 0.00 H new ATOM 466 N LEU A 36 11.350 2.068 5.196 1.00 0.00 N ATOM 467 CA LEU A 36 11.802 0.690 5.354 1.00 0.00 C ATOM 468 C LEU A 36 10.757 -0.147 6.084 1.00 0.00 C ATOM 469 O LEU A 36 10.555 -1.319 5.769 1.00 0.00 O ATOM 470 CB LEU A 36 13.127 0.652 6.117 1.00 0.00 C ATOM 471 CG LEU A 36 14.384 0.947 5.297 1.00 0.00 C ATOM 472 CD1 LEU A 36 15.358 1.795 6.099 1.00 0.00 C ATOM 473 CD2 LEU A 36 15.044 -0.348 4.848 1.00 0.00 C ATOM 0 H LEU A 36 11.788 2.731 5.835 1.00 0.00 H new ATOM 0 HA LEU A 36 11.949 0.266 4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 36 13.073 1.372 6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.235 -0.334 6.568 1.00 0.00 H new ATOM 0 HG LEU A 36 14.092 1.509 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.246 1.995 5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.883 2.738 6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 36 15.645 1.261 7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 36 15.937 -0.119 4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 36 15.322 -0.937 5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.347 -0.918 4.234 1.00 0.00 H new ATOM 485 N ALA A 37 10.095 0.465 7.061 1.00 0.00 N ATOM 486 CA ALA A 37 9.067 -0.222 7.833 1.00 0.00 C ATOM 487 C ALA A 37 7.785 -0.381 7.023 1.00 0.00 C ATOM 488 O ALA A 37 6.981 -1.275 7.285 1.00 0.00 O ATOM 489 CB ALA A 37 8.787 0.530 9.126 1.00 0.00 C ATOM 0 H ALA A 37 10.252 1.434 7.336 1.00 0.00 H new ATOM 0 HA ALA A 37 9.437 -1.218 8.077 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.017 0.006 9.692 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.700 0.586 9.719 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.443 1.538 8.894 1.00 0.00 H new ATOM 495 N ALA A 38 7.601 0.493 6.039 1.00 0.00 N ATOM 496 CA ALA A 38 6.417 0.449 5.190 1.00 0.00 C ATOM 497 C ALA A 38 6.554 -0.621 4.112 1.00 0.00 C ATOM 498 O ALA A 38 5.579 -0.977 3.450 1.00 0.00 O ATOM 499 CB ALA A 38 6.170 1.810 4.557 1.00 0.00 C ATOM 0 H ALA A 38 8.257 1.240 5.810 1.00 0.00 H new ATOM 0 HA ALA A 38 5.562 0.191 5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.283 1.762 3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.019 2.553 5.340 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.031 2.091 3.951 1.00 0.00 H new ATOM 505 N ALA A 39 7.769 -1.130 3.942 1.00 0.00 N ATOM 506 CA ALA A 39 8.033 -2.161 2.945 1.00 0.00 C ATOM 507 C ALA A 39 8.674 -3.389 3.582 1.00 0.00 C ATOM 508 O ALA A 39 9.897 -3.513 3.621 1.00 0.00 O ATOM 509 CB ALA A 39 8.924 -1.611 1.841 1.00 0.00 C ATOM 0 H ALA A 39 8.587 -0.846 4.481 1.00 0.00 H new ATOM 0 HA ALA A 39 7.080 -2.465 2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.113 -2.391 1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.428 -0.769 1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.870 -1.279 2.269 1.00 0.00 H new ATOM 515 N ASN A 40 7.838 -4.295 4.081 1.00 0.00 N ATOM 516 CA ASN A 40 8.324 -5.514 4.718 1.00 0.00 C ATOM 517 C ASN A 40 8.648 -6.580 3.676 1.00 0.00 C ATOM 518 O ASN A 40 9.578 -7.369 3.847 1.00 0.00 O ATOM 519 CB ASN A 40 7.283 -6.048 5.704 1.00 0.00 C ATOM 520 CG ASN A 40 6.630 -4.943 6.511 1.00 0.00 C ATOM 521 OD1 ASN A 40 5.480 -4.577 6.266 1.00 0.00 O ATOM 522 ND2 ASN A 40 7.362 -4.405 7.479 1.00 0.00 N ATOM 0 H ASN A 40 6.822 -4.208 4.056 1.00 0.00 H new ATOM 0 HA ASN A 40 9.238 -5.272 5.260 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.516 -6.596 5.157 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.759 -6.757 6.382 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.976 -3.657 8.055 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.311 -4.740 7.647 1.00 0.00 H new ATOM 529 N THR A 41 7.876 -6.596 2.594 1.00 0.00 N ATOM 530 CA THR A 41 8.080 -7.565 1.524 1.00 0.00 C ATOM 531 C THR A 41 9.079 -7.046 0.496 1.00 0.00 C ATOM 532 O THR A 41 9.697 -5.999 0.689 1.00 0.00 O ATOM 533 CB THR A 41 6.756 -7.902 0.812 1.00 0.00 C ATOM 534 OG1 THR A 41 6.300 -6.769 0.064 1.00 0.00 O ATOM 535 CG2 THR A 41 5.691 -8.315 1.816 1.00 0.00 C ATOM 0 H THR A 41 7.104 -5.949 2.435 1.00 0.00 H new ATOM 0 HA THR A 41 8.476 -8.469 1.987 1.00 0.00 H new ATOM 0 HB THR A 41 6.936 -8.736 0.134 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.459 -6.992 -0.387 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.765 -8.548 1.290 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.029 -9.195 2.363 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.515 -7.498 2.516 1.00 0.00 H new ATOM 543 N THR A 42 9.233 -7.785 -0.598 1.00 0.00 N ATOM 544 CA THR A 42 10.158 -7.401 -1.657 1.00 0.00 C ATOM 545 C THR A 42 9.525 -6.379 -2.594 1.00 0.00 C ATOM 546 O THR A 42 10.093 -5.322 -2.874 1.00 0.00 O ATOM 547 CB THR A 42 10.612 -8.622 -2.478 1.00 0.00 C ATOM 548 OG1 THR A 42 11.796 -9.186 -1.903 1.00 0.00 O ATOM 549 CG2 THR A 42 10.879 -8.233 -3.924 1.00 0.00 C ATOM 0 H THR A 42 8.728 -8.654 -0.774 1.00 0.00 H new ATOM 0 HA THR A 42 11.027 -6.957 -1.172 1.00 0.00 H new ATOM 0 HB THR A 42 9.812 -9.362 -2.460 1.00 0.00 H new ATOM 0 HG1 THR A 42 12.077 -9.963 -2.430 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.198 -9.112 -4.484 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.968 -7.832 -4.367 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.663 -7.476 -3.958 1.00 0.00 H new ATOM 557 N PRO A 43 8.322 -6.697 -3.093 1.00 0.00 N ATOM 558 CA PRO A 43 7.586 -5.819 -4.007 1.00 0.00 C ATOM 559 C PRO A 43 7.535 -4.378 -3.510 1.00 0.00 C ATOM 560 O PRO A 43 7.825 -3.443 -4.258 1.00 0.00 O ATOM 561 CB PRO A 43 6.181 -6.426 -4.028 1.00 0.00 C ATOM 562 CG PRO A 43 6.385 -7.863 -3.694 1.00 0.00 C ATOM 563 CD PRO A 43 7.587 -7.940 -2.803 1.00 0.00 C ATOM 0 HA PRO A 43 8.057 -5.766 -4.988 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.529 -5.940 -3.303 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.714 -6.309 -5.006 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.507 -8.271 -3.193 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.538 -8.451 -4.599 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.303 -8.000 -1.752 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.190 -8.821 -3.021 1.00 0.00 H new ATOM 571 N ASP A 44 7.166 -4.205 -2.246 1.00 0.00 N ATOM 572 CA ASP A 44 7.079 -2.877 -1.649 1.00 0.00 C ATOM 573 C ASP A 44 8.454 -2.219 -1.587 1.00 0.00 C ATOM 574 O ASP A 44 8.608 -1.048 -1.935 1.00 0.00 O ATOM 575 CB ASP A 44 6.477 -2.964 -0.246 1.00 0.00 C ATOM 576 CG ASP A 44 4.964 -2.874 -0.258 1.00 0.00 C ATOM 577 OD1 ASP A 44 4.353 -3.294 -1.263 1.00 0.00 O ATOM 578 OD2 ASP A 44 4.390 -2.383 0.737 1.00 0.00 O ATOM 0 H ASP A 44 6.922 -4.968 -1.614 1.00 0.00 H new ATOM 0 HA ASP A 44 6.431 -2.265 -2.276 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.778 -3.903 0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.881 -2.160 0.370 1.00 0.00 H new ATOM 583 N ARG A 45 9.448 -2.978 -1.141 1.00 0.00 N ATOM 584 CA ARG A 45 10.810 -2.467 -1.031 1.00 0.00 C ATOM 585 C ARG A 45 11.359 -2.084 -2.402 1.00 0.00 C ATOM 586 O ARG A 45 12.213 -1.205 -2.514 1.00 0.00 O ATOM 587 CB ARG A 45 11.718 -3.512 -0.380 1.00 0.00 C ATOM 588 CG ARG A 45 11.695 -3.477 1.139 1.00 0.00 C ATOM 589 CD ARG A 45 12.826 -4.303 1.733 1.00 0.00 C ATOM 590 NE ARG A 45 13.245 -3.799 3.038 1.00 0.00 N ATOM 591 CZ ARG A 45 14.112 -4.426 3.824 1.00 0.00 C ATOM 592 NH1 ARG A 45 14.650 -5.576 3.439 1.00 0.00 N ATOM 593 NH2 ARG A 45 14.444 -3.904 4.998 1.00 0.00 N ATOM 0 H ARG A 45 9.337 -3.949 -0.850 1.00 0.00 H new ATOM 0 HA ARG A 45 10.787 -1.575 -0.405 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.416 -4.504 -0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.741 -3.357 -0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.778 -2.446 1.481 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.738 -3.856 1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.505 -5.340 1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.677 -4.296 1.052 1.00 0.00 H new ATOM 0 HE ARG A 45 12.850 -2.917 3.364 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.398 -5.980 2.537 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.316 -6.056 4.045 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.033 -3.020 5.298 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.110 -4.387 5.601 1.00 0.00 H new ATOM 607 N GLN A 46 10.862 -2.749 -3.440 1.00 0.00 N ATOM 608 CA GLN A 46 11.304 -2.478 -4.803 1.00 0.00 C ATOM 609 C GLN A 46 10.849 -1.096 -5.258 1.00 0.00 C ATOM 610 O GLN A 46 11.648 -0.297 -5.746 1.00 0.00 O ATOM 611 CB GLN A 46 10.767 -3.545 -5.757 1.00 0.00 C ATOM 612 CG GLN A 46 11.699 -4.734 -5.927 1.00 0.00 C ATOM 613 CD GLN A 46 12.192 -4.891 -7.352 1.00 0.00 C ATOM 614 OE1 GLN A 46 12.139 -5.980 -7.924 1.00 0.00 O ATOM 615 NE2 GLN A 46 12.675 -3.800 -7.935 1.00 0.00 N ATOM 0 H GLN A 46 10.154 -3.479 -3.363 1.00 0.00 H new ATOM 0 HA GLN A 46 12.394 -2.504 -4.817 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.804 -3.899 -5.388 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.588 -3.092 -6.732 1.00 0.00 H new ATOM 0 HG2 GLN A 46 12.554 -4.618 -5.261 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.180 -5.643 -5.624 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.700 -2.917 -7.424 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.021 -3.845 -8.894 1.00 0.00 H new ATOM 624 N ALA A 47 9.559 -0.820 -5.095 1.00 0.00 N ATOM 625 CA ALA A 47 8.998 0.467 -5.488 1.00 0.00 C ATOM 626 C ALA A 47 9.741 1.618 -4.819 1.00 0.00 C ATOM 627 O ALA A 47 10.221 2.532 -5.489 1.00 0.00 O ATOM 628 CB ALA A 47 7.516 0.523 -5.145 1.00 0.00 C ATOM 0 H ALA A 47 8.883 -1.470 -4.694 1.00 0.00 H new ATOM 0 HA ALA A 47 9.115 0.572 -6.567 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.110 1.489 -5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.990 -0.271 -5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.386 0.391 -4.071 1.00 0.00 H new ATOM 634 N ALA A 48 9.832 1.567 -3.494 1.00 0.00 N ATOM 635 CA ALA A 48 10.519 2.604 -2.735 1.00 0.00 C ATOM 636 C ALA A 48 11.968 2.747 -3.186 1.00 0.00 C ATOM 637 O ALA A 48 12.416 3.839 -3.535 1.00 0.00 O ATOM 638 CB ALA A 48 10.455 2.299 -1.246 1.00 0.00 C ATOM 0 H ALA A 48 9.438 0.818 -2.924 1.00 0.00 H new ATOM 0 HA ALA A 48 10.013 3.551 -2.923 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.972 3.082 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.413 2.257 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.933 1.339 -1.050 1.00 0.00 H new ATOM 644 N CYS A 49 12.698 1.636 -3.175 1.00 0.00 N ATOM 645 CA CYS A 49 14.098 1.637 -3.582 1.00 0.00 C ATOM 646 C CYS A 49 14.279 2.371 -4.907 1.00 0.00 C ATOM 647 O CYS A 49 15.258 3.090 -5.101 1.00 0.00 O ATOM 648 CB CYS A 49 14.615 0.202 -3.706 1.00 0.00 C ATOM 649 SG CYS A 49 15.332 -0.466 -2.171 1.00 0.00 S ATOM 0 H CYS A 49 12.343 0.724 -2.889 1.00 0.00 H new ATOM 0 HA CYS A 49 14.673 2.159 -2.817 1.00 0.00 H new ATOM 0 HB2 CYS A 49 13.794 -0.442 -4.021 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.369 0.166 -4.492 1.00 0.00 H new ATOM 654 N ASN A 50 13.327 2.184 -5.816 1.00 0.00 N ATOM 655 CA ASN A 50 13.381 2.829 -7.123 1.00 0.00 C ATOM 656 C ASN A 50 13.268 4.344 -6.988 1.00 0.00 C ATOM 657 O ASN A 50 13.974 5.094 -7.663 1.00 0.00 O ATOM 658 CB ASN A 50 12.262 2.300 -8.022 1.00 0.00 C ATOM 659 CG ASN A 50 12.344 0.800 -8.227 1.00 0.00 C ATOM 660 OD1 ASN A 50 13.430 0.220 -8.215 1.00 0.00 O ATOM 661 ND2 ASN A 50 11.194 0.165 -8.418 1.00 0.00 N ATOM 0 H ASN A 50 12.509 1.591 -5.671 1.00 0.00 H new ATOM 0 HA ASN A 50 14.344 2.594 -7.577 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.297 2.551 -7.582 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.311 2.799 -8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.187 -0.845 -8.563 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.318 0.687 -8.420 1.00 0.00 H new ATOM 668 N CYS A 51 12.375 4.789 -6.110 1.00 0.00 N ATOM 669 CA CYS A 51 12.167 6.214 -5.885 1.00 0.00 C ATOM 670 C CYS A 51 13.340 6.820 -5.119 1.00 0.00 C ATOM 671 O CYS A 51 13.711 7.974 -5.341 1.00 0.00 O ATOM 672 CB CYS A 51 10.867 6.446 -5.113 1.00 0.00 C ATOM 673 SG CYS A 51 9.359 6.165 -6.096 1.00 0.00 S ATOM 0 H CYS A 51 11.783 4.182 -5.542 1.00 0.00 H new ATOM 0 HA CYS A 51 12.097 6.703 -6.857 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.850 5.787 -4.245 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.858 7.469 -4.737 1.00 0.00 H new ATOM 678 N LEU A 52 13.920 6.035 -4.218 1.00 0.00 N ATOM 679 CA LEU A 52 15.052 6.493 -3.420 1.00 0.00 C ATOM 680 C LEU A 52 16.324 6.548 -4.259 1.00 0.00 C ATOM 681 O LEU A 52 16.956 7.598 -4.382 1.00 0.00 O ATOM 682 CB LEU A 52 15.260 5.570 -2.218 1.00 0.00 C ATOM 683 CG LEU A 52 14.509 5.951 -0.941 1.00 0.00 C ATOM 684 CD1 LEU A 52 14.697 4.885 0.127 1.00 0.00 C ATOM 685 CD2 LEU A 52 14.976 7.307 -0.432 1.00 0.00 C ATOM 0 H LEU A 52 13.625 5.078 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 52 14.830 7.499 -3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 52 14.962 4.561 -2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 52 16.326 5.535 -1.992 1.00 0.00 H new ATOM 0 HG LEU A 52 13.446 6.019 -1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.156 5.173 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.313 3.933 -0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.758 4.784 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.431 7.562 0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.044 7.266 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.788 8.065 -1.192 1.00 0.00 H new ATOM 697 N LYS A 53 16.695 5.410 -4.837 1.00 0.00 N ATOM 698 CA LYS A 53 17.890 5.328 -5.669 1.00 0.00 C ATOM 699 C LYS A 53 17.895 6.429 -6.725 1.00 0.00 C ATOM 700 O LYS A 53 18.931 7.033 -7.000 1.00 0.00 O ATOM 701 CB LYS A 53 17.972 3.957 -6.345 1.00 0.00 C ATOM 702 CG LYS A 53 19.394 3.478 -6.577 1.00 0.00 C ATOM 703 CD LYS A 53 19.754 2.330 -5.650 1.00 0.00 C ATOM 704 CE LYS A 53 19.745 2.767 -4.193 1.00 0.00 C ATOM 705 NZ LYS A 53 18.915 1.864 -3.348 1.00 0.00 N ATOM 0 H LYS A 53 16.185 4.532 -4.744 1.00 0.00 H new ATOM 0 HA LYS A 53 18.760 5.462 -5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.447 3.226 -5.730 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.452 4.001 -7.302 1.00 0.00 H new ATOM 0 HG2 LYS A 53 19.507 3.159 -7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.087 4.304 -6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.047 1.512 -5.790 1.00 0.00 H new ATOM 0 HD3 LYS A 53 20.741 1.947 -5.910 1.00 0.00 H new ATOM 0 HE2 LYS A 53 20.766 2.783 -3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.362 3.785 -4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 18.935 2.196 -2.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.935 1.868 -3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 19.295 0.897 -3.396 1.00 0.00 H new ATOM 719 N SER A 54 16.730 6.685 -7.311 1.00 0.00 N ATOM 720 CA SER A 54 16.601 7.712 -8.338 1.00 0.00 C ATOM 721 C SER A 54 16.641 9.107 -7.720 1.00 0.00 C ATOM 722 O SER A 54 17.065 10.069 -8.359 1.00 0.00 O ATOM 723 CB SER A 54 15.298 7.524 -9.117 1.00 0.00 C ATOM 724 OG SER A 54 15.382 6.411 -9.990 1.00 0.00 O ATOM 0 H SER A 54 15.862 6.196 -7.092 1.00 0.00 H new ATOM 0 HA SER A 54 17.443 7.613 -9.023 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.471 7.382 -8.421 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.081 8.425 -9.691 1.00 0.00 H new ATOM 0 HG SER A 54 14.976 5.628 -9.562 1.00 0.00 H new ATOM 730 N ALA A 55 16.195 9.207 -6.472 1.00 0.00 N ATOM 731 CA ALA A 55 16.181 10.482 -5.766 1.00 0.00 C ATOM 732 C ALA A 55 17.593 10.918 -5.392 1.00 0.00 C ATOM 733 O ALA A 55 18.021 12.022 -5.727 1.00 0.00 O ATOM 734 CB ALA A 55 15.309 10.387 -4.523 1.00 0.00 C ATOM 0 H ALA A 55 15.839 8.420 -5.929 1.00 0.00 H new ATOM 0 HA ALA A 55 15.762 11.235 -6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.308 11.346 -4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.290 10.129 -4.812 1.00 0.00 H new ATOM 0 HB3 ALA A 55 15.704 9.617 -3.860 1.00 0.00 H new ATOM 740 N ALA A 56 18.313 10.044 -4.696 1.00 0.00 N ATOM 741 CA ALA A 56 19.677 10.339 -4.277 1.00 0.00 C ATOM 742 C ALA A 56 20.603 10.477 -5.481 1.00 0.00 C ATOM 743 O ALA A 56 21.662 11.097 -5.395 1.00 0.00 O ATOM 744 CB ALA A 56 20.187 9.255 -3.339 1.00 0.00 C ATOM 0 H ALA A 56 17.974 9.125 -4.411 1.00 0.00 H new ATOM 0 HA ALA A 56 19.670 11.291 -3.745 1.00 0.00 H new ATOM 0 HB1 ALA A 56 21.207 9.488 -3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.547 9.206 -2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 56 20.173 8.293 -3.852 1.00 0.00 H new ATOM 750 N GLY A 57 20.196 9.893 -6.605 1.00 0.00 N ATOM 751 CA GLY A 57 21.001 9.962 -7.810 1.00 0.00 C ATOM 752 C GLY A 57 21.127 11.375 -8.344 1.00 0.00 C ATOM 753 O GLY A 57 21.963 11.649 -9.205 1.00 0.00 O ATOM 0 H GLY A 57 19.323 9.374 -6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 57 21.995 9.566 -7.602 1.00 0.00 H new ATOM 0 HA3 GLY A 57 20.558 9.326 -8.576 1.00 0.00 H new ATOM 757 N SER A 58 20.293 12.275 -7.833 1.00 0.00 N ATOM 758 CA SER A 58 20.310 13.667 -8.267 1.00 0.00 C ATOM 759 C SER A 58 20.943 14.560 -7.205 1.00 0.00 C ATOM 760 O SER A 58 20.699 15.766 -7.167 1.00 0.00 O ATOM 761 CB SER A 58 18.889 14.146 -8.572 1.00 0.00 C ATOM 762 OG SER A 58 18.178 13.183 -9.331 1.00 0.00 O ATOM 0 H SER A 58 19.597 12.065 -7.118 1.00 0.00 H new ATOM 0 HA SER A 58 20.910 13.731 -9.175 1.00 0.00 H new ATOM 0 HB2 SER A 58 18.360 14.342 -7.639 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.929 15.088 -9.119 1.00 0.00 H new ATOM 0 HG SER A 58 17.273 13.512 -9.511 1.00 0.00 H new ATOM 768 N ILE A 59 21.757 13.958 -6.344 1.00 0.00 N ATOM 769 CA ILE A 59 22.426 14.698 -5.282 1.00 0.00 C ATOM 770 C ILE A 59 23.800 15.184 -5.731 1.00 0.00 C ATOM 771 O ILE A 59 24.719 14.388 -5.930 1.00 0.00 O ATOM 772 CB ILE A 59 22.587 13.840 -4.013 1.00 0.00 C ATOM 773 CG1 ILE A 59 21.220 13.376 -3.507 1.00 0.00 C ATOM 774 CG2 ILE A 59 23.320 14.623 -2.933 1.00 0.00 C ATOM 775 CD1 ILE A 59 20.343 14.506 -3.013 1.00 0.00 C ATOM 0 H ILE A 59 21.969 12.960 -6.361 1.00 0.00 H new ATOM 0 HA ILE A 59 21.797 15.558 -5.052 1.00 0.00 H new ATOM 0 HB ILE A 59 23.179 12.959 -4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 59 20.703 12.850 -4.310 1.00 0.00 H new ATOM 0 HG13 ILE A 59 21.365 12.659 -2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.426 14.003 -2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 59 24.307 14.907 -3.297 1.00 0.00 H new ATOM 0 HG23 ILE A 59 22.752 15.520 -2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 59 19.390 14.104 -2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 59 20.839 15.018 -2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 59 20.167 15.212 -3.825 1.00 0.00 H new ATOM 787 N THR A 60 23.936 16.497 -5.889 1.00 0.00 N ATOM 788 CA THR A 60 25.197 17.090 -6.314 1.00 0.00 C ATOM 789 C THR A 60 26.323 16.737 -5.349 1.00 0.00 C ATOM 790 O THR A 60 26.241 17.015 -4.153 1.00 0.00 O ATOM 791 CB THR A 60 25.090 18.623 -6.421 1.00 0.00 C ATOM 792 OG1 THR A 60 26.389 19.192 -6.614 1.00 0.00 O ATOM 793 CG2 THR A 60 24.454 19.209 -5.170 1.00 0.00 C ATOM 0 H THR A 60 23.187 17.170 -5.729 1.00 0.00 H new ATOM 0 HA THR A 60 25.423 16.680 -7.298 1.00 0.00 H new ATOM 0 HB THR A 60 24.459 18.863 -7.276 1.00 0.00 H new ATOM 0 HG1 THR A 60 26.312 20.167 -6.683 1.00 0.00 H new ATOM 0 HG21 THR A 60 24.389 20.293 -5.268 1.00 0.00 H new ATOM 0 HG22 THR A 60 23.454 18.795 -5.043 1.00 0.00 H new ATOM 0 HG23 THR A 60 25.063 18.960 -4.301 1.00 0.00 H new ATOM 801 N LYS A 61 27.377 16.122 -5.877 1.00 0.00 N ATOM 802 CA LYS A 61 28.522 15.732 -5.063 1.00 0.00 C ATOM 803 C LYS A 61 28.090 14.826 -3.915 1.00 0.00 C ATOM 804 O LYS A 61 28.519 15.005 -2.774 1.00 0.00 O ATOM 805 CB LYS A 61 29.228 16.972 -4.511 1.00 0.00 C ATOM 806 CG LYS A 61 30.151 17.644 -5.513 1.00 0.00 C ATOM 807 CD LYS A 61 31.232 18.455 -4.819 1.00 0.00 C ATOM 808 CE LYS A 61 31.933 19.394 -5.788 1.00 0.00 C ATOM 809 NZ LYS A 61 33.328 18.956 -6.073 1.00 0.00 N ATOM 0 H LYS A 61 27.461 15.883 -6.865 1.00 0.00 H new ATOM 0 HA LYS A 61 29.215 15.179 -5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 61 28.477 17.691 -4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 61 29.805 16.689 -3.631 1.00 0.00 H new ATOM 0 HG2 LYS A 61 30.613 16.888 -6.147 1.00 0.00 H new ATOM 0 HG3 LYS A 61 29.569 18.295 -6.165 1.00 0.00 H new ATOM 0 HD2 LYS A 61 30.790 19.032 -4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 61 31.962 17.781 -4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 61 31.370 19.441 -6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 61 31.946 20.401 -5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 33.772 19.622 -6.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 33.873 18.935 -5.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 33.314 18.005 -6.493 1.00 0.00 H new ATOM 823 N LEU A 62 27.241 13.852 -4.223 1.00 0.00 N ATOM 824 CA LEU A 62 26.753 12.916 -3.216 1.00 0.00 C ATOM 825 C LEU A 62 27.910 12.307 -2.430 1.00 0.00 C ATOM 826 O LEU A 62 28.950 11.974 -2.997 1.00 0.00 O ATOM 827 CB LEU A 62 25.932 11.807 -3.877 1.00 0.00 C ATOM 828 CG LEU A 62 25.478 10.670 -2.961 1.00 0.00 C ATOM 829 CD1 LEU A 62 24.116 10.980 -2.360 1.00 0.00 C ATOM 830 CD2 LEU A 62 25.441 9.354 -3.723 1.00 0.00 C ATOM 0 H LEU A 62 26.876 13.690 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 62 26.118 13.467 -2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 62 25.048 12.257 -4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 62 26.522 11.380 -4.688 1.00 0.00 H new ATOM 0 HG LEU A 62 26.197 10.575 -2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 62 23.809 10.160 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 62 24.176 11.900 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 62 23.385 11.103 -3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 62 25.116 8.556 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 62 24.744 9.436 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 62 26.437 9.126 -4.103 1.00 0.00 H new ATOM 842 N ASN A 63 27.720 12.164 -1.123 1.00 0.00 N ATOM 843 CA ASN A 63 28.748 11.594 -0.259 1.00 0.00 C ATOM 844 C ASN A 63 28.342 10.206 0.226 1.00 0.00 C ATOM 845 O ASN A 63 27.503 10.068 1.117 1.00 0.00 O ATOM 846 CB ASN A 63 29.004 12.511 0.938 1.00 0.00 C ATOM 847 CG ASN A 63 30.431 12.419 1.443 1.00 0.00 C ATOM 848 OD1 ASN A 63 30.940 11.328 1.704 1.00 0.00 O ATOM 849 ND2 ASN A 63 31.085 13.566 1.582 1.00 0.00 N ATOM 0 H ASN A 63 26.864 12.435 -0.638 1.00 0.00 H new ATOM 0 HA ASN A 63 29.666 11.502 -0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 63 28.787 13.541 0.656 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.319 12.251 1.745 1.00 0.00 H new ATOM 0 HD21 ASN A 63 32.048 13.566 1.917 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.624 14.447 1.354 1.00 0.00 H new ATOM 856 N THR A 64 28.944 9.178 -0.365 1.00 0.00 N ATOM 857 CA THR A 64 28.645 7.801 0.007 1.00 0.00 C ATOM 858 C THR A 64 28.803 7.590 1.508 1.00 0.00 C ATOM 859 O THR A 64 28.068 6.813 2.116 1.00 0.00 O ATOM 860 CB THR A 64 29.556 6.808 -0.739 1.00 0.00 C ATOM 861 OG1 THR A 64 30.919 7.240 -0.661 1.00 0.00 O ATOM 862 CG2 THR A 64 29.141 6.682 -2.197 1.00 0.00 C ATOM 0 H THR A 64 29.641 9.274 -1.103 1.00 0.00 H new ATOM 0 HA THR A 64 27.609 7.615 -0.275 1.00 0.00 H new ATOM 0 HB THR A 64 29.457 5.832 -0.265 1.00 0.00 H new ATOM 0 HG1 THR A 64 31.492 6.603 -1.136 1.00 0.00 H new ATOM 0 HG21 THR A 64 29.799 5.975 -2.703 1.00 0.00 H new ATOM 0 HG22 THR A 64 28.113 6.324 -2.253 1.00 0.00 H new ATOM 0 HG23 THR A 64 29.213 7.656 -2.681 1.00 0.00 H new ATOM 870 N ASN A 65 29.767 8.286 2.101 1.00 0.00 N ATOM 871 CA ASN A 65 30.022 8.175 3.532 1.00 0.00 C ATOM 872 C ASN A 65 28.868 8.765 4.337 1.00 0.00 C ATOM 873 O ASN A 65 28.420 8.178 5.321 1.00 0.00 O ATOM 874 CB ASN A 65 31.328 8.884 3.896 1.00 0.00 C ATOM 875 CG ASN A 65 32.551 8.119 3.428 1.00 0.00 C ATOM 876 OD1 ASN A 65 33.307 8.595 2.581 1.00 0.00 O ATOM 877 ND2 ASN A 65 32.750 6.927 3.979 1.00 0.00 N ATOM 0 H ASN A 65 30.385 8.934 1.612 1.00 0.00 H new ATOM 0 HA ASN A 65 30.111 7.117 3.779 1.00 0.00 H new ATOM 0 HB2 ASN A 65 31.334 9.880 3.452 1.00 0.00 H new ATOM 0 HB3 ASN A 65 31.377 9.017 4.977 1.00 0.00 H new ATOM 0 HD21 ASN A 65 33.556 6.366 3.704 1.00 0.00 H new ATOM 0 HD22 ASN A 65 32.097 6.573 4.678 1.00 0.00 H new ATOM 884 N ASN A 66 28.391 9.930 3.911 1.00 0.00 N ATOM 885 CA ASN A 66 27.290 10.601 4.592 1.00 0.00 C ATOM 886 C ASN A 66 25.984 9.836 4.398 1.00 0.00 C ATOM 887 O ASN A 66 25.176 9.723 5.319 1.00 0.00 O ATOM 888 CB ASN A 66 27.137 12.032 4.074 1.00 0.00 C ATOM 889 CG ASN A 66 28.428 12.823 4.171 1.00 0.00 C ATOM 890 OD1 ASN A 66 29.403 12.368 4.769 1.00 0.00 O ATOM 891 ND2 ASN A 66 28.438 14.013 3.582 1.00 0.00 N ATOM 0 H ASN A 66 28.750 10.429 3.097 1.00 0.00 H new ATOM 0 HA ASN A 66 27.519 10.631 5.657 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.807 12.006 3.035 1.00 0.00 H new ATOM 0 HB3 ASN A 66 26.359 12.540 4.643 1.00 0.00 H new ATOM 0 HD21 ASN A 66 29.278 14.591 3.614 1.00 0.00 H new ATOM 0 HD22 ASN A 66 27.606 14.349 3.098 1.00 0.00 H new ATOM 898 N ALA A 67 25.786 9.311 3.193 1.00 0.00 N ATOM 899 CA ALA A 67 24.580 8.555 2.878 1.00 0.00 C ATOM 900 C ALA A 67 24.445 7.336 3.784 1.00 0.00 C ATOM 901 O ALA A 67 23.347 6.996 4.224 1.00 0.00 O ATOM 902 CB ALA A 67 24.590 8.130 1.417 1.00 0.00 C ATOM 0 H ALA A 67 26.445 9.395 2.419 1.00 0.00 H new ATOM 0 HA ALA A 67 23.720 9.202 3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 67 23.684 7.566 1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.632 9.014 0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 67 25.462 7.504 1.226 1.00 0.00 H new ATOM 908 N ALA A 68 25.568 6.681 4.059 1.00 0.00 N ATOM 909 CA ALA A 68 25.574 5.500 4.914 1.00 0.00 C ATOM 910 C ALA A 68 25.442 5.886 6.384 1.00 0.00 C ATOM 911 O ALA A 68 24.941 5.109 7.196 1.00 0.00 O ATOM 912 CB ALA A 68 26.844 4.693 4.690 1.00 0.00 C ATOM 0 H ALA A 68 26.485 6.948 3.702 1.00 0.00 H new ATOM 0 HA ALA A 68 24.714 4.885 4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 68 26.835 3.814 5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 68 26.896 4.378 3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 68 27.712 5.308 4.927 1.00 0.00 H new ATOM 918 N ALA A 69 25.896 7.089 6.718 1.00 0.00 N ATOM 919 CA ALA A 69 25.828 7.578 8.089 1.00 0.00 C ATOM 920 C ALA A 69 24.398 7.949 8.469 1.00 0.00 C ATOM 921 O ALA A 69 24.036 7.944 9.646 1.00 0.00 O ATOM 922 CB ALA A 69 26.751 8.774 8.270 1.00 0.00 C ATOM 0 H ALA A 69 26.315 7.743 6.057 1.00 0.00 H new ATOM 0 HA ALA A 69 26.156 6.777 8.751 1.00 0.00 H new ATOM 0 HB1 ALA A 69 26.690 9.129 9.299 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.777 8.479 8.048 1.00 0.00 H new ATOM 0 HB3 ALA A 69 26.449 9.573 7.592 1.00 0.00 H new ATOM 928 N LEU A 70 23.589 8.271 7.465 1.00 0.00 N ATOM 929 CA LEU A 70 22.198 8.645 7.694 1.00 0.00 C ATOM 930 C LEU A 70 21.442 7.526 8.402 1.00 0.00 C ATOM 931 O LEU A 70 20.877 7.709 9.480 1.00 0.00 O ATOM 932 CB LEU A 70 21.514 8.979 6.367 1.00 0.00 C ATOM 933 CG LEU A 70 20.001 8.764 6.319 1.00 0.00 C ATOM 934 CD1 LEU A 70 19.312 9.569 7.410 1.00 0.00 C ATOM 935 CD2 LEU A 70 19.452 9.138 4.950 1.00 0.00 C ATOM 0 H LEU A 70 23.873 8.280 6.485 1.00 0.00 H new ATOM 0 HA LEU A 70 22.186 9.527 8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.720 10.022 6.127 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.972 8.375 5.583 1.00 0.00 H new ATOM 0 HG LEU A 70 19.798 7.707 6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.236 9.403 7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 70 19.683 9.253 8.385 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.523 10.629 7.268 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.374 8.979 4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 70 19.667 10.187 4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 70 19.922 8.517 4.187 1.00 0.00 H new ATOM 947 N PRO A 71 21.431 6.335 7.783 1.00 0.00 N ATOM 948 CA PRO A 71 20.750 5.161 8.337 1.00 0.00 C ATOM 949 C PRO A 71 21.448 4.619 9.580 1.00 0.00 C ATOM 950 O PRO A 71 20.798 4.171 10.523 1.00 0.00 O ATOM 951 CB PRO A 71 20.818 4.142 7.198 1.00 0.00 C ATOM 952 CG PRO A 71 22.008 4.546 6.398 1.00 0.00 C ATOM 953 CD PRO A 71 22.083 6.044 6.495 1.00 0.00 C ATOM 0 HA PRO A 71 19.735 5.393 8.660 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.925 3.127 7.581 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.910 4.162 6.595 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.915 4.084 6.787 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.908 4.227 5.361 1.00 0.00 H new ATOM 0 HD2 PRO A 71 23.114 6.397 6.478 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.567 6.527 5.665 1.00 0.00 H new ATOM 961 N GLY A 72 22.777 4.663 9.573 1.00 0.00 N ATOM 962 CA GLY A 72 23.541 4.174 10.706 1.00 0.00 C ATOM 963 C GLY A 72 23.371 5.040 11.938 1.00 0.00 C ATOM 964 O GLY A 72 23.346 4.537 13.061 1.00 0.00 O ATOM 0 H GLY A 72 23.338 5.028 8.803 1.00 0.00 H new ATOM 0 HA2 GLY A 72 23.231 3.155 10.937 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.597 4.133 10.438 1.00 0.00 H new ATOM 968 N LYS A 73 23.256 6.347 11.729 1.00 0.00 N ATOM 969 CA LYS A 73 23.089 7.287 12.831 1.00 0.00 C ATOM 970 C LYS A 73 21.660 7.251 13.364 1.00 0.00 C ATOM 971 O LYS A 73 21.419 7.512 14.543 1.00 0.00 O ATOM 972 CB LYS A 73 23.439 8.705 12.377 1.00 0.00 C ATOM 973 CG LYS A 73 24.930 8.936 12.201 1.00 0.00 C ATOM 974 CD LYS A 73 25.448 9.993 13.162 1.00 0.00 C ATOM 975 CE LYS A 73 26.659 10.718 12.594 1.00 0.00 C ATOM 976 NZ LYS A 73 27.170 11.759 13.527 1.00 0.00 N ATOM 0 H LYS A 73 23.275 6.780 10.806 1.00 0.00 H new ATOM 0 HA LYS A 73 23.766 6.992 13.633 1.00 0.00 H new ATOM 0 HB2 LYS A 73 22.934 8.910 11.433 1.00 0.00 H new ATOM 0 HB3 LYS A 73 23.053 9.417 13.107 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.466 8.001 12.364 1.00 0.00 H new ATOM 0 HG3 LYS A 73 25.133 9.245 11.175 1.00 0.00 H new ATOM 0 HD2 LYS A 73 24.657 10.713 13.373 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.714 9.525 14.110 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.450 9.997 12.386 1.00 0.00 H new ATOM 0 HE3 LYS A 73 26.392 11.181 11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 27.995 12.230 13.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 26.424 12.461 13.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.449 11.314 14.425 1.00 0.00 H new ATOM 990 N CYS A 74 20.715 6.925 12.488 1.00 0.00 N ATOM 991 CA CYS A 74 19.309 6.854 12.870 1.00 0.00 C ATOM 992 C CYS A 74 18.986 5.505 13.506 1.00 0.00 C ATOM 993 O CYS A 74 17.875 5.283 13.986 1.00 0.00 O ATOM 994 CB CYS A 74 18.415 7.082 11.650 1.00 0.00 C ATOM 995 SG CYS A 74 18.450 8.788 11.012 1.00 0.00 S ATOM 0 H CYS A 74 20.897 6.706 11.509 1.00 0.00 H new ATOM 0 HA CYS A 74 19.118 7.637 13.603 1.00 0.00 H new ATOM 0 HB2 CYS A 74 18.722 6.402 10.856 1.00 0.00 H new ATOM 0 HB3 CYS A 74 17.389 6.824 11.911 1.00 0.00 H new ATOM 1000 N GLY A 75 19.966 4.606 13.505 1.00 0.00 N ATOM 1001 CA GLY A 75 19.767 3.290 14.084 1.00 0.00 C ATOM 1002 C GLY A 75 19.134 2.318 13.109 1.00 0.00 C ATOM 1003 O GLY A 75 18.989 1.133 13.408 1.00 0.00 O ATOM 0 H GLY A 75 20.894 4.766 13.113 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.727 2.894 14.416 1.00 0.00 H new ATOM 0 HA3 GLY A 75 19.135 3.377 14.968 1.00 0.00 H new ATOM 1007 N VAL A 76 18.753 2.819 11.938 1.00 0.00 N ATOM 1008 CA VAL A 76 18.132 1.987 10.915 1.00 0.00 C ATOM 1009 C VAL A 76 19.098 1.711 9.768 1.00 0.00 C ATOM 1010 O VAL A 76 19.110 2.428 8.768 1.00 0.00 O ATOM 1011 CB VAL A 76 16.858 2.646 10.352 1.00 0.00 C ATOM 1012 CG1 VAL A 76 17.139 4.083 9.939 1.00 0.00 C ATOM 1013 CG2 VAL A 76 16.316 1.841 9.181 1.00 0.00 C ATOM 0 H VAL A 76 18.864 3.798 11.674 1.00 0.00 H new ATOM 0 HA VAL A 76 17.864 1.045 11.394 1.00 0.00 H new ATOM 0 HB VAL A 76 16.100 2.660 11.135 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.228 4.533 9.544 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.478 4.651 10.805 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.913 4.096 9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.416 2.320 8.795 1.00 0.00 H new ATOM 0 HG22 VAL A 76 17.068 1.793 8.393 1.00 0.00 H new ATOM 0 HG23 VAL A 76 16.075 0.831 9.514 1.00 0.00 H new ATOM 1023 N ASN A 77 19.907 0.668 9.921 1.00 0.00 N ATOM 1024 CA ASN A 77 20.877 0.297 8.897 1.00 0.00 C ATOM 1025 C ASN A 77 20.259 -0.659 7.882 1.00 0.00 C ATOM 1026 O ASN A 77 19.388 -1.461 8.220 1.00 0.00 O ATOM 1027 CB ASN A 77 22.106 -0.349 9.541 1.00 0.00 C ATOM 1028 CG ASN A 77 21.735 -1.406 10.562 1.00 0.00 C ATOM 1029 OD1 ASN A 77 21.237 -1.093 11.644 1.00 0.00 O ATOM 1030 ND2 ASN A 77 21.977 -2.667 10.223 1.00 0.00 N ATOM 0 H ASN A 77 19.910 0.065 10.744 1.00 0.00 H new ATOM 0 HA ASN A 77 21.182 1.204 8.375 1.00 0.00 H new ATOM 0 HB2 ASN A 77 22.725 -0.799 8.765 1.00 0.00 H new ATOM 0 HB3 ASN A 77 22.708 0.422 10.022 1.00 0.00 H new ATOM 0 HD21 ASN A 77 21.749 -3.422 10.870 1.00 0.00 H new ATOM 0 HD22 ASN A 77 22.391 -2.881 9.316 1.00 0.00 H new ATOM 1037 N ILE A 78 20.715 -0.568 6.638 1.00 0.00 N ATOM 1038 CA ILE A 78 20.209 -1.425 5.574 1.00 0.00 C ATOM 1039 C ILE A 78 21.275 -2.410 5.106 1.00 0.00 C ATOM 1040 O ILE A 78 22.475 -2.187 5.270 1.00 0.00 O ATOM 1041 CB ILE A 78 19.724 -0.599 4.367 1.00 0.00 C ATOM 1042 CG1 ILE A 78 20.741 0.492 4.027 1.00 0.00 C ATOM 1043 CG2 ILE A 78 18.361 0.011 4.657 1.00 0.00 C ATOM 1044 CD1 ILE A 78 20.502 1.791 4.763 1.00 0.00 C ATOM 0 H ILE A 78 21.435 0.091 6.342 1.00 0.00 H new ATOM 0 HA ILE A 78 19.365 -1.977 5.989 1.00 0.00 H new ATOM 0 HB ILE A 78 19.628 -1.261 3.506 1.00 0.00 H new ATOM 0 HG12 ILE A 78 21.742 0.130 4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 78 20.714 0.681 2.954 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.031 0.592 3.795 1.00 0.00 H new ATOM 0 HG22 ILE A 78 17.642 -0.783 4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 78 18.432 0.663 5.528 1.00 0.00 H new ATOM 0 HD11 ILE A 78 21.260 2.518 4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 78 19.514 2.176 4.510 1.00 0.00 H new ATOM 0 HD13 ILE A 78 20.559 1.616 5.837 1.00 0.00 H new ATOM 1056 N PRO A 79 20.830 -3.524 4.507 1.00 0.00 N ATOM 1057 CA PRO A 79 21.730 -4.565 4.001 1.00 0.00 C ATOM 1058 C PRO A 79 22.517 -4.105 2.778 1.00 0.00 C ATOM 1059 O PRO A 79 23.557 -4.675 2.447 1.00 0.00 O ATOM 1060 CB PRO A 79 20.780 -5.705 3.628 1.00 0.00 C ATOM 1061 CG PRO A 79 19.477 -5.038 3.352 1.00 0.00 C ATOM 1062 CD PRO A 79 19.413 -3.855 4.279 1.00 0.00 C ATOM 0 HA PRO A 79 22.484 -4.845 4.736 1.00 0.00 H new ATOM 0 HB2 PRO A 79 21.139 -6.249 2.754 1.00 0.00 H new ATOM 0 HB3 PRO A 79 20.691 -6.427 4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 79 19.413 -4.722 2.311 1.00 0.00 H new ATOM 0 HG3 PRO A 79 18.645 -5.719 3.530 1.00 0.00 H new ATOM 0 HD2 PRO A 79 18.873 -3.021 3.830 1.00 0.00 H new ATOM 0 HD3 PRO A 79 18.903 -4.101 5.210 1.00 0.00 H new ATOM 1070 N TYR A 80 22.015 -3.072 2.112 1.00 0.00 N ATOM 1071 CA TYR A 80 22.671 -2.537 0.924 1.00 0.00 C ATOM 1072 C TYR A 80 23.159 -1.112 1.166 1.00 0.00 C ATOM 1073 O TYR A 80 22.700 -0.433 2.085 1.00 0.00 O ATOM 1074 CB TYR A 80 21.714 -2.564 -0.268 1.00 0.00 C ATOM 1075 CG TYR A 80 21.645 -3.908 -0.959 1.00 0.00 C ATOM 1076 CD1 TYR A 80 21.069 -5.005 -0.331 1.00 0.00 C ATOM 1077 CD2 TYR A 80 22.157 -4.080 -2.239 1.00 0.00 C ATOM 1078 CE1 TYR A 80 21.005 -6.234 -0.957 1.00 0.00 C ATOM 1079 CE2 TYR A 80 22.096 -5.305 -2.874 1.00 0.00 C ATOM 1080 CZ TYR A 80 21.519 -6.379 -2.229 1.00 0.00 C ATOM 1081 OH TYR A 80 21.457 -7.602 -2.857 1.00 0.00 O ATOM 0 H TYR A 80 21.156 -2.588 2.374 1.00 0.00 H new ATOM 0 HA TYR A 80 23.534 -3.165 0.703 1.00 0.00 H new ATOM 0 HB2 TYR A 80 20.716 -2.288 0.072 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.025 -1.809 -0.990 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.664 -4.895 0.664 1.00 0.00 H new ATOM 0 HD2 TYR A 80 22.611 -3.241 -2.746 1.00 0.00 H new ATOM 0 HE1 TYR A 80 20.555 -7.077 -0.454 1.00 0.00 H new ATOM 0 HE2 TYR A 80 22.498 -5.421 -3.870 1.00 0.00 H new ATOM 0 HH TYR A 80 20.529 -7.918 -2.867 1.00 0.00 H new ATOM 1091 N LYS A 81 24.093 -0.664 0.334 1.00 0.00 N ATOM 1092 CA LYS A 81 24.644 0.681 0.454 1.00 0.00 C ATOM 1093 C LYS A 81 23.766 1.695 -0.271 1.00 0.00 C ATOM 1094 O LYS A 81 23.020 1.343 -1.185 1.00 0.00 O ATOM 1095 CB LYS A 81 26.065 0.724 -0.112 1.00 0.00 C ATOM 1096 CG LYS A 81 26.147 0.349 -1.581 1.00 0.00 C ATOM 1097 CD LYS A 81 27.245 -0.669 -1.837 1.00 0.00 C ATOM 1098 CE LYS A 81 27.522 -0.828 -3.324 1.00 0.00 C ATOM 1099 NZ LYS A 81 28.301 -2.064 -3.615 1.00 0.00 N ATOM 0 H LYS A 81 24.485 -1.213 -0.431 1.00 0.00 H new ATOM 0 HA LYS A 81 24.673 0.942 1.512 1.00 0.00 H new ATOM 0 HB2 LYS A 81 26.470 1.727 0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 81 26.697 0.047 0.463 1.00 0.00 H new ATOM 0 HG2 LYS A 81 25.190 -0.057 -1.907 1.00 0.00 H new ATOM 0 HG3 LYS A 81 26.333 1.243 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 81 28.157 -0.358 -1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.956 -1.631 -1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 81 26.578 -0.857 -3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 81 28.071 0.041 -3.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 28.469 -2.136 -4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 29.213 -2.025 -3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 27.766 -2.896 -3.293 1.00 0.00 H new ATOM 1113 N ILE A 82 23.861 2.955 0.141 1.00 0.00 N ATOM 1114 CA ILE A 82 23.077 4.020 -0.471 1.00 0.00 C ATOM 1115 C ILE A 82 23.826 4.652 -1.639 1.00 0.00 C ATOM 1116 O ILE A 82 24.780 5.405 -1.443 1.00 0.00 O ATOM 1117 CB ILE A 82 22.721 5.116 0.550 1.00 0.00 C ATOM 1118 CG1 ILE A 82 22.183 4.489 1.837 1.00 0.00 C ATOM 1119 CG2 ILE A 82 21.705 6.082 -0.041 1.00 0.00 C ATOM 1120 CD1 ILE A 82 20.969 3.613 1.621 1.00 0.00 C ATOM 0 H ILE A 82 24.473 3.263 0.896 1.00 0.00 H new ATOM 0 HA ILE A 82 22.157 3.564 -0.837 1.00 0.00 H new ATOM 0 HB ILE A 82 23.625 5.675 0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 82 22.972 3.895 2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 82 21.928 5.283 2.539 1.00 0.00 H new ATOM 0 HG21 ILE A 82 21.464 6.851 0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.123 6.550 -0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 82 20.799 5.538 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 82 20.642 3.202 2.576 1.00 0.00 H new ATOM 0 HD12 ILE A 82 20.164 4.207 1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 82 21.224 2.798 0.944 1.00 0.00 H new ATOM 1132 N SER A 83 23.386 4.342 -2.855 1.00 0.00 N ATOM 1133 CA SER A 83 24.016 4.879 -4.055 1.00 0.00 C ATOM 1134 C SER A 83 23.119 4.684 -5.273 1.00 0.00 C ATOM 1135 O SER A 83 22.212 3.850 -5.265 1.00 0.00 O ATOM 1136 CB SER A 83 25.369 4.204 -4.292 1.00 0.00 C ATOM 1137 OG SER A 83 25.786 4.355 -5.638 1.00 0.00 O ATOM 0 H SER A 83 22.596 3.722 -3.035 1.00 0.00 H new ATOM 0 HA SER A 83 24.171 5.948 -3.906 1.00 0.00 H new ATOM 0 HB2 SER A 83 26.116 4.636 -3.626 1.00 0.00 H new ATOM 0 HB3 SER A 83 25.298 3.144 -4.047 1.00 0.00 H new ATOM 0 HG SER A 83 26.106 3.494 -5.980 1.00 0.00 H new ATOM 1143 N THR A 84 23.377 5.460 -6.322 1.00 0.00 N ATOM 1144 CA THR A 84 22.593 5.375 -7.547 1.00 0.00 C ATOM 1145 C THR A 84 22.948 4.123 -8.341 1.00 0.00 C ATOM 1146 O THR A 84 22.311 3.812 -9.348 1.00 0.00 O ATOM 1147 CB THR A 84 22.809 6.613 -8.439 1.00 0.00 C ATOM 1148 OG1 THR A 84 22.123 6.444 -9.684 1.00 0.00 O ATOM 1149 CG2 THR A 84 24.290 6.842 -8.697 1.00 0.00 C ATOM 0 H THR A 84 24.124 6.155 -6.347 1.00 0.00 H new ATOM 0 HA THR A 84 21.545 5.329 -7.249 1.00 0.00 H new ATOM 0 HB THR A 84 22.409 7.483 -7.919 1.00 0.00 H new ATOM 0 HG1 THR A 84 21.851 5.508 -9.783 1.00 0.00 H new ATOM 0 HG21 THR A 84 24.418 7.721 -9.329 1.00 0.00 H new ATOM 0 HG22 THR A 84 24.805 6.999 -7.749 1.00 0.00 H new ATOM 0 HG23 THR A 84 24.711 5.971 -9.199 1.00 0.00 H new ATOM 1157 N THR A 85 23.969 3.406 -7.882 1.00 0.00 N ATOM 1158 CA THR A 85 24.409 2.187 -8.550 1.00 0.00 C ATOM 1159 C THR A 85 23.867 0.948 -7.846 1.00 0.00 C ATOM 1160 O THR A 85 23.728 -0.114 -8.453 1.00 0.00 O ATOM 1161 CB THR A 85 25.946 2.101 -8.606 1.00 0.00 C ATOM 1162 OG1 THR A 85 26.474 1.907 -7.290 1.00 0.00 O ATOM 1163 CG2 THR A 85 26.536 3.364 -9.215 1.00 0.00 C ATOM 0 H THR A 85 24.507 3.648 -7.050 1.00 0.00 H new ATOM 0 HA THR A 85 24.017 2.224 -9.566 1.00 0.00 H new ATOM 0 HB THR A 85 26.218 1.253 -9.234 1.00 0.00 H new ATOM 0 HG1 THR A 85 27.451 1.852 -7.335 1.00 0.00 H new ATOM 0 HG21 THR A 85 27.622 3.281 -9.244 1.00 0.00 H new ATOM 0 HG22 THR A 85 26.154 3.492 -10.228 1.00 0.00 H new ATOM 0 HG23 THR A 85 26.254 4.226 -8.610 1.00 0.00 H new ATOM 1171 N THR A 86 23.561 1.090 -6.560 1.00 0.00 N ATOM 1172 CA THR A 86 23.035 -0.017 -5.773 1.00 0.00 C ATOM 1173 C THR A 86 21.835 -0.659 -6.460 1.00 0.00 C ATOM 1174 O THR A 86 21.020 0.026 -7.076 1.00 0.00 O ATOM 1175 CB THR A 86 22.618 0.443 -4.363 1.00 0.00 C ATOM 1176 OG1 THR A 86 23.768 0.882 -3.631 1.00 0.00 O ATOM 1177 CG2 THR A 86 21.929 -0.683 -3.607 1.00 0.00 C ATOM 0 H THR A 86 23.669 1.962 -6.042 1.00 0.00 H new ATOM 0 HA THR A 86 23.837 -0.750 -5.686 1.00 0.00 H new ATOM 0 HB THR A 86 21.916 1.271 -4.468 1.00 0.00 H new ATOM 0 HG1 THR A 86 23.514 1.065 -2.702 1.00 0.00 H new ATOM 0 HG21 THR A 86 21.644 -0.334 -2.615 1.00 0.00 H new ATOM 0 HG22 THR A 86 21.038 -0.995 -4.152 1.00 0.00 H new ATOM 0 HG23 THR A 86 22.611 -1.528 -3.512 1.00 0.00 H new ATOM 1185 N ASN A 87 21.733 -1.980 -6.351 1.00 0.00 N ATOM 1186 CA ASN A 87 20.632 -2.715 -6.962 1.00 0.00 C ATOM 1187 C ASN A 87 19.758 -3.371 -5.898 1.00 0.00 C ATOM 1188 O ASN A 87 20.127 -4.393 -5.318 1.00 0.00 O ATOM 1189 CB ASN A 87 21.171 -3.778 -7.921 1.00 0.00 C ATOM 1190 CG ASN A 87 20.148 -4.192 -8.961 1.00 0.00 C ATOM 1191 OD1 ASN A 87 18.985 -3.794 -8.896 1.00 0.00 O ATOM 1192 ND2 ASN A 87 20.577 -4.995 -9.927 1.00 0.00 N ATOM 0 H ASN A 87 22.400 -2.563 -5.845 1.00 0.00 H new ATOM 0 HA ASN A 87 20.022 -2.006 -7.521 1.00 0.00 H new ATOM 0 HB2 ASN A 87 22.059 -3.394 -8.422 1.00 0.00 H new ATOM 0 HB3 ASN A 87 21.480 -4.654 -7.351 1.00 0.00 H new ATOM 0 HD21 ASN A 87 19.934 -5.307 -10.655 1.00 0.00 H new ATOM 0 HD22 ASN A 87 21.550 -5.300 -9.942 1.00 0.00 H new ATOM 1199 N CYS A 88 18.596 -2.776 -5.645 1.00 0.00 N ATOM 1200 CA CYS A 88 17.668 -3.301 -4.651 1.00 0.00 C ATOM 1201 C CYS A 88 16.933 -4.527 -5.187 1.00 0.00 C ATOM 1202 O CYS A 88 16.418 -5.339 -4.419 1.00 0.00 O ATOM 1203 CB CYS A 88 16.659 -2.225 -4.246 1.00 0.00 C ATOM 1204 SG CYS A 88 17.186 -1.207 -2.831 1.00 0.00 S ATOM 0 H CYS A 88 18.275 -1.930 -6.115 1.00 0.00 H new ATOM 0 HA CYS A 88 18.244 -3.598 -3.774 1.00 0.00 H new ATOM 0 HB2 CYS A 88 16.476 -1.573 -5.101 1.00 0.00 H new ATOM 0 HB3 CYS A 88 15.711 -2.704 -4.002 1.00 0.00 H new ATOM 1209 N ASN A 89 16.891 -4.654 -6.509 1.00 0.00 N ATOM 1210 CA ASN A 89 16.219 -5.780 -7.148 1.00 0.00 C ATOM 1211 C ASN A 89 16.914 -7.094 -6.803 1.00 0.00 C ATOM 1212 O ASN A 89 16.322 -8.169 -6.910 1.00 0.00 O ATOM 1213 CB ASN A 89 16.189 -5.588 -8.665 1.00 0.00 C ATOM 1214 CG ASN A 89 15.827 -6.864 -9.402 1.00 0.00 C ATOM 1215 OD1 ASN A 89 16.665 -7.747 -9.585 1.00 0.00 O ATOM 1216 ND2 ASN A 89 14.574 -6.965 -9.828 1.00 0.00 N ATOM 0 H ASN A 89 17.314 -3.991 -7.159 1.00 0.00 H new ATOM 0 HA ASN A 89 15.196 -5.822 -6.774 1.00 0.00 H new ATOM 0 HB2 ASN A 89 15.468 -4.810 -8.916 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.165 -5.240 -9.004 1.00 0.00 H new ATOM 0 HD21 ASN A 89 14.272 -7.800 -10.330 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.913 -6.208 -9.654 1.00 0.00 H new ATOM 1223 N THR A 90 18.173 -7.000 -6.388 1.00 0.00 N ATOM 1224 CA THR A 90 18.949 -8.180 -6.028 1.00 0.00 C ATOM 1225 C THR A 90 18.888 -8.442 -4.528 1.00 0.00 C ATOM 1226 O THR A 90 19.714 -9.172 -3.980 1.00 0.00 O ATOM 1227 CB THR A 90 20.422 -8.035 -6.453 1.00 0.00 C ATOM 1228 OG1 THR A 90 20.805 -6.656 -6.430 1.00 0.00 O ATOM 1229 CG2 THR A 90 20.642 -8.604 -7.846 1.00 0.00 C ATOM 0 H THR A 90 18.677 -6.118 -6.293 1.00 0.00 H new ATOM 0 HA THR A 90 18.507 -9.023 -6.559 1.00 0.00 H new ATOM 0 HB THR A 90 21.037 -8.594 -5.748 1.00 0.00 H new ATOM 0 HG1 THR A 90 20.438 -6.228 -5.629 1.00 0.00 H new ATOM 0 HG21 THR A 90 21.690 -8.490 -8.124 1.00 0.00 H new ATOM 0 HG22 THR A 90 20.378 -9.661 -7.853 1.00 0.00 H new ATOM 0 HG23 THR A 90 20.017 -8.069 -8.561 1.00 0.00 H new ATOM 1237 N VAL A 91 17.904 -7.840 -3.866 1.00 0.00 N ATOM 1238 CA VAL A 91 17.734 -8.010 -2.428 1.00 0.00 C ATOM 1239 C VAL A 91 16.830 -9.198 -2.118 1.00 0.00 C ATOM 1240 O VAL A 91 15.672 -9.237 -2.534 1.00 0.00 O ATOM 1241 CB VAL A 91 17.141 -6.745 -1.780 1.00 0.00 C ATOM 1242 CG1 VAL A 91 16.926 -6.958 -0.290 1.00 0.00 C ATOM 1243 CG2 VAL A 91 18.043 -5.545 -2.031 1.00 0.00 C ATOM 0 H VAL A 91 17.213 -7.230 -4.303 1.00 0.00 H new ATOM 0 HA VAL A 91 18.725 -8.193 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 91 16.172 -6.544 -2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.507 -6.053 0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.237 -7.789 -0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 91 17.880 -7.185 0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 91 17.609 -4.660 -1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 91 19.027 -5.734 -1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 91 18.140 -5.381 -3.104 1.00 0.00 H new ATOM 1253 N LYS A 92 17.367 -10.166 -1.383 1.00 0.00 N ATOM 1254 CA LYS A 92 16.609 -11.356 -1.014 1.00 0.00 C ATOM 1255 C LYS A 92 16.177 -11.294 0.447 1.00 0.00 C ATOM 1256 O LYS A 92 17.010 -11.309 1.353 1.00 0.00 O ATOM 1257 CB LYS A 92 17.447 -12.614 -1.256 1.00 0.00 C ATOM 1258 CG LYS A 92 17.341 -13.152 -2.673 1.00 0.00 C ATOM 1259 CD LYS A 92 18.528 -14.032 -3.025 1.00 0.00 C ATOM 1260 CE LYS A 92 18.311 -15.468 -2.572 1.00 0.00 C ATOM 1261 NZ LYS A 92 19.598 -16.157 -2.278 1.00 0.00 N ATOM 0 H LYS A 92 18.324 -10.150 -1.031 1.00 0.00 H new ATOM 0 HA LYS A 92 15.716 -11.396 -1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 92 18.492 -12.392 -1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 92 17.133 -13.390 -0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 92 16.419 -13.724 -2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 92 17.282 -12.321 -3.375 1.00 0.00 H new ATOM 0 HD2 LYS A 92 18.692 -14.010 -4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 92 19.429 -13.634 -2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 92 17.683 -15.477 -1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.774 -16.016 -3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 19.408 -17.133 -1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 20.188 -16.171 -3.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 20.099 -15.649 -1.521 1.00 0.00 H new ATOM 1275 N PHE A 93 14.868 -11.226 0.670 1.00 0.00 N ATOM 1276 CA PHE A 93 14.325 -11.163 2.022 1.00 0.00 C ATOM 1277 C PHE A 93 14.969 -10.028 2.814 1.00 0.00 C ATOM 1278 O PHE A 93 15.322 -8.991 2.255 1.00 0.00 O ATOM 1279 CB PHE A 93 14.544 -12.493 2.745 1.00 0.00 C ATOM 1280 CG PHE A 93 13.416 -13.468 2.562 1.00 0.00 C ATOM 1281 CD1 PHE A 93 13.200 -14.074 1.335 1.00 0.00 C ATOM 1282 CD2 PHE A 93 12.571 -13.777 3.616 1.00 0.00 C ATOM 1283 CE1 PHE A 93 12.163 -14.972 1.163 1.00 0.00 C ATOM 1284 CE2 PHE A 93 11.534 -14.674 3.449 1.00 0.00 C ATOM 1285 CZ PHE A 93 11.328 -15.272 2.221 1.00 0.00 C ATOM 0 H PHE A 93 14.164 -11.213 -0.068 1.00 0.00 H new ATOM 0 HA PHE A 93 13.255 -10.970 1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 93 15.467 -12.946 2.384 1.00 0.00 H new ATOM 0 HB3 PHE A 93 14.678 -12.301 3.809 1.00 0.00 H new ATOM 0 HD1 PHE A 93 13.849 -13.842 0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 93 12.725 -13.311 4.578 1.00 0.00 H new ATOM 0 HE1 PHE A 93 12.006 -15.439 0.202 1.00 0.00 H new ATOM 0 HE2 PHE A 93 10.884 -14.908 4.279 1.00 0.00 H new ATOM 0 HZ PHE A 93 10.516 -15.972 2.089 1.00 0.00 H new TER 1295 PHE A 93