USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 738 hydrogens (10 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 14 SER OG : rot 180:sc= 0.805 USER MOD Set 1.2: A 113 ASN : amide:sc= 0.789 X(o=1.6,f=1.8) USER MOD Single : A 1 ALA N :NH3+ -120:sc= 0.132 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 77:sc= 1.37 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -150:sc= -0.364 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 111:sc= 1.25 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.118 K(o=-0.12,f=-1) USER MOD Single : A 30 THR OG1 : rot 78:sc= 0.186 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.727 USER MOD Single : A 36 GLN : amide:sc= -0.514! C(o=-0.51!,f=-4.6!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.403 K(o=-0.4,f=-6.4!) USER MOD Single : A 53 SER OG : rot 166:sc= 0.406 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0887 USER MOD Single : A 56 THR OG1 : rot 22:sc= 0.0703 USER MOD Single : A 60 ASN : amide:sc= 1.21 K(o=1.2,f=-0.13) USER MOD Single : A 62 SER OG : rot 60:sc= 1.25 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.00803 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -90:sc= 1.25 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0291 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 122:sc= 0.471 USER MOD Single : A 90 THR OG1 : rot -49:sc= 0.679 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 5:sc= 0.656 USER MOD Single : A 103 ASN : amide:sc= -0.184 X(o=-0.18,f=0) USER MOD Single : A 111 SER OG : rot -2:sc= 0.374 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.022 5.274 16.487 1.00 0.00 N ATOM 2 CA ALA A 1 -16.552 4.039 15.862 1.00 0.00 C ATOM 3 C ALA A 1 -15.449 2.997 15.715 1.00 0.00 C ATOM 4 O ALA A 1 -14.311 3.228 16.126 1.00 0.00 O ATOM 5 CB ALA A 1 -17.160 4.355 14.506 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.531 5.460 17.375 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.009 5.154 16.687 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.154 6.076 15.838 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.329 3.631 16.509 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.545 3.439 14.058 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.974 5.069 14.630 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.397 4.784 13.856 1.00 0.00 H new ATOM 11 N ALA A 2 -15.784 1.853 15.130 1.00 0.00 N ATOM 12 CA ALA A 2 -14.816 0.785 14.935 1.00 0.00 C ATOM 13 C ALA A 2 -14.879 0.255 13.508 1.00 0.00 C ATOM 14 O ALA A 2 -15.764 -0.529 13.166 1.00 0.00 O ATOM 15 CB ALA A 2 -15.059 -0.336 15.935 1.00 0.00 C ATOM 0 H ALA A 2 -16.720 1.643 14.783 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.817 1.189 15.103 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.328 -1.129 15.778 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.961 0.053 16.949 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.063 -0.736 15.796 1.00 0.00 H new ATOM 21 N PRO A 3 -13.945 0.691 12.649 1.00 0.00 N ATOM 22 CA PRO A 3 -13.898 0.256 11.253 1.00 0.00 C ATOM 23 C PRO A 3 -13.438 -1.195 11.117 1.00 0.00 C ATOM 24 O PRO A 3 -13.089 -1.844 12.108 1.00 0.00 O ATOM 25 CB PRO A 3 -12.881 1.210 10.620 1.00 0.00 C ATOM 26 CG PRO A 3 -11.993 1.619 11.744 1.00 0.00 C ATOM 27 CD PRO A 3 -12.862 1.642 12.971 1.00 0.00 C ATOM 0 HA PRO A 3 -14.879 0.287 10.778 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.316 0.718 9.828 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.374 2.072 10.171 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.167 0.918 11.864 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.554 2.599 11.558 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.310 1.335 13.859 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.251 2.641 13.168 1.00 0.00 H new ATOM 35 N THR A 4 -13.436 -1.701 9.897 1.00 0.00 N ATOM 36 CA THR A 4 -13.023 -3.072 9.645 1.00 0.00 C ATOM 37 C THR A 4 -11.916 -3.124 8.593 1.00 0.00 C ATOM 38 O THR A 4 -12.114 -2.719 7.446 1.00 0.00 O ATOM 39 CB THR A 4 -14.211 -3.929 9.174 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.413 -3.494 9.825 1.00 0.00 O ATOM 41 CG2 THR A 4 -13.973 -5.402 9.470 1.00 0.00 C ATOM 0 H THR A 4 -13.716 -1.184 9.064 1.00 0.00 H new ATOM 0 HA THR A 4 -12.644 -3.475 10.584 1.00 0.00 H new ATOM 0 HB THR A 4 -14.313 -3.807 8.096 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.167 -4.042 9.520 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.828 -5.985 9.127 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.074 -5.737 8.952 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.846 -5.542 10.544 1.00 0.00 H new ATOM 49 N ALA A 5 -10.750 -3.619 8.987 1.00 0.00 N ATOM 50 CA ALA A 5 -9.620 -3.725 8.079 1.00 0.00 C ATOM 51 C ALA A 5 -9.444 -5.161 7.595 1.00 0.00 C ATOM 52 O ALA A 5 -8.638 -5.922 8.139 1.00 0.00 O ATOM 53 CB ALA A 5 -8.350 -3.228 8.758 1.00 0.00 C ATOM 0 H ALA A 5 -10.564 -3.954 9.932 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.818 -3.099 7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.511 -3.313 8.067 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.477 -2.185 9.048 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.152 -3.830 9.645 1.00 0.00 H new ATOM 59 N THR A 6 -10.218 -5.540 6.591 1.00 0.00 N ATOM 60 CA THR A 6 -10.134 -6.878 6.033 1.00 0.00 C ATOM 61 C THR A 6 -9.057 -6.935 4.956 1.00 0.00 C ATOM 62 O THR A 6 -9.314 -6.664 3.782 1.00 0.00 O ATOM 63 CB THR A 6 -11.483 -7.314 5.444 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.380 -6.194 5.427 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.088 -8.446 6.258 1.00 0.00 C ATOM 0 H THR A 6 -10.912 -4.939 6.146 1.00 0.00 H new ATOM 0 HA THR A 6 -9.871 -7.563 6.839 1.00 0.00 H new ATOM 0 HB THR A 6 -11.321 -7.672 4.427 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.144 -5.597 4.686 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.043 -8.738 5.822 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.411 -9.300 6.253 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.245 -8.113 7.284 1.00 0.00 H new ATOM 73 N VAL A 7 -7.846 -7.262 5.369 1.00 0.00 N ATOM 74 CA VAL A 7 -6.720 -7.339 4.455 1.00 0.00 C ATOM 75 C VAL A 7 -6.154 -8.752 4.393 1.00 0.00 C ATOM 76 O VAL A 7 -5.860 -9.360 5.423 1.00 0.00 O ATOM 77 CB VAL A 7 -5.600 -6.354 4.863 1.00 0.00 C ATOM 78 CG1 VAL A 7 -5.956 -4.944 4.422 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.352 -6.398 6.368 1.00 0.00 C ATOM 0 H VAL A 7 -7.616 -7.480 6.338 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.091 -7.064 3.468 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.680 -6.657 4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.160 -4.259 4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.075 -4.921 3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.889 -4.639 4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.560 -5.696 6.627 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.266 -6.125 6.895 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.053 -7.405 6.658 1.00 0.00 H new ATOM 89 N THR A 8 -6.025 -9.276 3.184 1.00 0.00 N ATOM 90 CA THR A 8 -5.484 -10.608 2.982 1.00 0.00 C ATOM 91 C THR A 8 -4.037 -10.510 2.506 1.00 0.00 C ATOM 92 O THR A 8 -3.780 -10.158 1.354 1.00 0.00 O ATOM 93 CB THR A 8 -6.314 -11.389 1.949 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.709 -11.151 2.174 1.00 0.00 O ATOM 95 CG2 THR A 8 -6.029 -12.878 2.038 1.00 0.00 C ATOM 0 H THR A 8 -6.290 -8.795 2.324 1.00 0.00 H new ATOM 0 HA THR A 8 -5.524 -11.141 3.932 1.00 0.00 H new ATOM 0 HB THR A 8 -6.037 -11.045 0.953 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.236 -11.648 1.514 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.628 -13.408 1.298 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.971 -13.058 1.845 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.283 -13.238 3.035 1.00 0.00 H new ATOM 103 N PRO A 9 -3.074 -10.803 3.392 1.00 0.00 N ATOM 104 CA PRO A 9 -1.658 -10.727 3.062 1.00 0.00 C ATOM 105 C PRO A 9 -1.150 -11.945 2.295 1.00 0.00 C ATOM 106 O PRO A 9 -1.801 -12.993 2.246 1.00 0.00 O ATOM 107 CB PRO A 9 -0.975 -10.621 4.425 1.00 0.00 C ATOM 108 CG PRO A 9 -1.929 -11.210 5.416 1.00 0.00 C ATOM 109 CD PRO A 9 -3.299 -11.240 4.781 1.00 0.00 C ATOM 0 HA PRO A 9 -1.451 -9.887 2.399 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.028 -11.160 4.429 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.752 -9.582 4.669 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.616 -12.216 5.695 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.945 -10.616 6.330 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.731 -12.240 4.817 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.991 -10.575 5.299 1.00 0.00 H new ATOM 117 N SER A 10 0.028 -11.798 1.708 1.00 0.00 N ATOM 118 CA SER A 10 0.649 -12.860 0.934 1.00 0.00 C ATOM 119 C SER A 10 1.855 -13.438 1.674 1.00 0.00 C ATOM 120 O SER A 10 2.844 -13.832 1.059 1.00 0.00 O ATOM 121 CB SER A 10 1.079 -12.302 -0.423 1.00 0.00 C ATOM 122 OG SER A 10 0.198 -11.272 -0.848 1.00 0.00 O ATOM 0 H SER A 10 0.579 -10.941 1.755 1.00 0.00 H new ATOM 0 HA SER A 10 -0.072 -13.665 0.789 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.095 -11.913 -0.356 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.093 -13.103 -1.162 1.00 0.00 H new ATOM 0 HG SER A 10 0.162 -11.256 -1.827 1.00 0.00 H new ATOM 128 N SER A 11 1.764 -13.486 2.996 1.00 0.00 N ATOM 129 CA SER A 11 2.842 -14.005 3.823 1.00 0.00 C ATOM 130 C SER A 11 3.063 -15.498 3.566 1.00 0.00 C ATOM 131 O SER A 11 2.208 -16.329 3.880 1.00 0.00 O ATOM 132 CB SER A 11 2.532 -13.750 5.299 1.00 0.00 C ATOM 133 OG SER A 11 2.263 -12.374 5.530 1.00 0.00 O ATOM 0 H SER A 11 0.949 -13.169 3.520 1.00 0.00 H new ATOM 0 HA SER A 11 3.763 -13.485 3.560 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.673 -14.349 5.603 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.375 -14.068 5.912 1.00 0.00 H new ATOM 0 HG SER A 11 2.066 -12.234 6.480 1.00 0.00 H new ATOM 139 N GLY A 12 4.209 -15.824 2.982 1.00 0.00 N ATOM 140 CA GLY A 12 4.528 -17.204 2.682 1.00 0.00 C ATOM 141 C GLY A 12 4.409 -17.497 1.200 1.00 0.00 C ATOM 142 O GLY A 12 4.842 -18.548 0.730 1.00 0.00 O ATOM 0 H GLY A 12 4.926 -15.152 2.710 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.542 -17.424 3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.859 -17.861 3.238 1.00 0.00 H new ATOM 146 N LEU A 13 3.825 -16.562 0.463 1.00 0.00 N ATOM 147 CA LEU A 13 3.650 -16.718 -0.971 1.00 0.00 C ATOM 148 C LEU A 13 4.802 -16.050 -1.711 1.00 0.00 C ATOM 149 O LEU A 13 5.527 -15.245 -1.135 1.00 0.00 O ATOM 150 CB LEU A 13 2.307 -16.128 -1.410 1.00 0.00 C ATOM 151 CG LEU A 13 1.082 -16.800 -0.790 1.00 0.00 C ATOM 152 CD1 LEU A 13 -0.195 -16.109 -1.234 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.041 -18.279 -1.149 1.00 0.00 C ATOM 0 H LEU A 13 3.464 -15.685 0.838 1.00 0.00 H new ATOM 0 HA LEU A 13 3.651 -17.780 -1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.291 -15.068 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.232 -16.197 -2.495 1.00 0.00 H new ATOM 0 HG LEU A 13 1.159 -16.711 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.053 -16.604 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.171 -15.065 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.278 -16.161 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.162 -18.739 -0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.993 -18.389 -2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.939 -18.769 -0.774 1.00 0.00 H new ATOM 165 N SER A 14 4.976 -16.398 -2.976 1.00 0.00 N ATOM 166 CA SER A 14 6.054 -15.841 -3.784 1.00 0.00 C ATOM 167 C SER A 14 5.717 -14.422 -4.247 1.00 0.00 C ATOM 168 O SER A 14 4.655 -13.887 -3.921 1.00 0.00 O ATOM 169 CB SER A 14 6.306 -16.744 -4.993 1.00 0.00 C ATOM 170 OG SER A 14 6.194 -18.113 -4.640 1.00 0.00 O ATOM 0 H SER A 14 4.383 -17.066 -3.469 1.00 0.00 H new ATOM 0 HA SER A 14 6.955 -15.790 -3.173 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.591 -16.509 -5.782 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.300 -16.549 -5.395 1.00 0.00 H new ATOM 0 HG SER A 14 6.358 -18.669 -5.430 1.00 0.00 H new ATOM 176 N ASP A 15 6.626 -13.813 -5.003 1.00 0.00 N ATOM 177 CA ASP A 15 6.410 -12.462 -5.513 1.00 0.00 C ATOM 178 C ASP A 15 5.448 -12.504 -6.694 1.00 0.00 C ATOM 179 O ASP A 15 5.214 -13.566 -7.271 1.00 0.00 O ATOM 180 CB ASP A 15 7.735 -11.812 -5.935 1.00 0.00 C ATOM 181 CG ASP A 15 8.257 -12.346 -7.255 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.860 -13.438 -7.259 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.074 -11.671 -8.291 1.00 0.00 O ATOM 0 H ASP A 15 7.516 -14.231 -5.275 1.00 0.00 H new ATOM 0 HA ASP A 15 5.977 -11.859 -4.715 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.597 -10.734 -6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.481 -11.982 -5.159 1.00 0.00 H new ATOM 188 N GLY A 16 4.886 -11.357 -7.039 1.00 0.00 N ATOM 189 CA GLY A 16 3.952 -11.296 -8.148 1.00 0.00 C ATOM 190 C GLY A 16 2.539 -11.648 -7.727 1.00 0.00 C ATOM 191 O GLY A 16 1.600 -11.528 -8.516 1.00 0.00 O ATOM 0 H GLY A 16 5.058 -10.466 -6.573 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.963 -10.293 -8.575 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.277 -11.980 -8.932 1.00 0.00 H new ATOM 195 N THR A 17 2.395 -12.094 -6.487 1.00 0.00 N ATOM 196 CA THR A 17 1.098 -12.462 -5.951 1.00 0.00 C ATOM 197 C THR A 17 0.239 -11.222 -5.733 1.00 0.00 C ATOM 198 O THR A 17 0.736 -10.168 -5.329 1.00 0.00 O ATOM 199 CB THR A 17 1.248 -13.232 -4.624 1.00 0.00 C ATOM 200 OG1 THR A 17 2.228 -14.267 -4.777 1.00 0.00 O ATOM 201 CG2 THR A 17 -0.080 -13.843 -4.199 1.00 0.00 C ATOM 0 H THR A 17 3.168 -12.209 -5.832 1.00 0.00 H new ATOM 0 HA THR A 17 0.609 -13.112 -6.677 1.00 0.00 H new ATOM 0 HB THR A 17 1.569 -12.532 -3.852 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.021 -14.048 -4.244 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.051 -14.381 -3.260 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.818 -13.052 -4.064 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.425 -14.534 -4.968 1.00 0.00 H new ATOM 209 N VAL A 18 -1.042 -11.347 -6.029 1.00 0.00 N ATOM 210 CA VAL A 18 -1.972 -10.247 -5.873 1.00 0.00 C ATOM 211 C VAL A 18 -2.509 -10.194 -4.444 1.00 0.00 C ATOM 212 O VAL A 18 -3.068 -11.171 -3.941 1.00 0.00 O ATOM 213 CB VAL A 18 -3.145 -10.367 -6.866 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.140 -9.240 -6.668 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.633 -10.378 -8.298 1.00 0.00 C ATOM 0 H VAL A 18 -1.463 -12.207 -6.381 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.431 -9.325 -6.084 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.656 -11.310 -6.673 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.958 -9.347 -7.380 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.536 -9.278 -5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.643 -8.283 -6.828 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.475 -10.463 -8.985 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.093 -9.452 -8.499 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.963 -11.226 -8.438 1.00 0.00 H new ATOM 225 N VAL A 19 -2.310 -9.057 -3.797 1.00 0.00 N ATOM 226 CA VAL A 19 -2.770 -8.842 -2.434 1.00 0.00 C ATOM 227 C VAL A 19 -4.190 -8.287 -2.451 1.00 0.00 C ATOM 228 O VAL A 19 -4.526 -7.466 -3.305 1.00 0.00 O ATOM 229 CB VAL A 19 -1.852 -7.856 -1.677 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.067 -7.960 -0.172 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.390 -8.091 -2.034 1.00 0.00 C ATOM 0 H VAL A 19 -1.825 -8.256 -4.202 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.746 -9.802 -1.919 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.116 -6.845 -1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.410 -7.256 0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.105 -7.724 0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.841 -8.974 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.236 -7.385 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.109 -9.109 -1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.250 -7.948 -3.105 1.00 0.00 H new ATOM 241 N LYS A 20 -5.018 -8.737 -1.519 1.00 0.00 N ATOM 242 CA LYS A 20 -6.396 -8.277 -1.449 1.00 0.00 C ATOM 243 C LYS A 20 -6.594 -7.335 -0.269 1.00 0.00 C ATOM 244 O LYS A 20 -6.407 -7.719 0.887 1.00 0.00 O ATOM 245 CB LYS A 20 -7.350 -9.462 -1.338 1.00 0.00 C ATOM 246 CG LYS A 20 -8.819 -9.068 -1.356 1.00 0.00 C ATOM 247 CD LYS A 20 -9.724 -10.288 -1.423 1.00 0.00 C ATOM 248 CE LYS A 20 -9.596 -11.004 -2.758 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.527 -12.158 -2.869 1.00 0.00 N ATOM 0 H LYS A 20 -4.760 -9.417 -0.804 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.616 -7.732 -2.367 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.157 -10.150 -2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.139 -10.002 -0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.052 -8.490 -0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.013 -8.423 -2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.471 -10.975 -0.615 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.759 -9.983 -1.270 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.795 -10.300 -3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.571 -11.353 -2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.404 -12.615 -3.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.322 -12.844 -2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.507 -11.823 -2.775 1.00 0.00 H new ATOM 263 N VAL A 21 -6.967 -6.103 -0.571 1.00 0.00 N ATOM 264 CA VAL A 21 -7.196 -5.100 0.455 1.00 0.00 C ATOM 265 C VAL A 21 -8.641 -4.623 0.405 1.00 0.00 C ATOM 266 O VAL A 21 -9.072 -4.014 -0.576 1.00 0.00 O ATOM 267 CB VAL A 21 -6.244 -3.894 0.286 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.592 -2.779 1.261 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.795 -4.326 0.461 1.00 0.00 C ATOM 0 H VAL A 21 -7.118 -5.772 -1.524 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.996 -5.560 1.423 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.369 -3.507 -0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.906 -1.944 1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.613 -2.444 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.506 -3.149 2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.141 -3.463 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.658 -4.746 1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.547 -5.079 -0.287 1.00 0.00 H new ATOM 279 N ALA A 22 -9.390 -4.918 1.457 1.00 0.00 N ATOM 280 CA ALA A 22 -10.785 -4.521 1.534 1.00 0.00 C ATOM 281 C ALA A 22 -11.055 -3.746 2.815 1.00 0.00 C ATOM 282 O ALA A 22 -11.258 -4.331 3.880 1.00 0.00 O ATOM 283 CB ALA A 22 -11.687 -5.745 1.450 1.00 0.00 C ATOM 0 H ALA A 22 -9.052 -5.432 2.271 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.004 -3.868 0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.730 -5.433 1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.515 -6.260 0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.463 -6.420 2.276 1.00 0.00 H new ATOM 289 N GLY A 23 -11.039 -2.429 2.712 1.00 0.00 N ATOM 290 CA GLY A 23 -11.285 -1.597 3.867 1.00 0.00 C ATOM 291 C GLY A 23 -12.748 -1.233 4.001 1.00 0.00 C ATOM 292 O GLY A 23 -13.354 -0.720 3.059 1.00 0.00 O ATOM 0 H GLY A 23 -10.860 -1.920 1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.957 -2.119 4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.690 -0.687 3.792 1.00 0.00 H new ATOM 296 N ALA A 24 -13.320 -1.515 5.160 1.00 0.00 N ATOM 297 CA ALA A 24 -14.718 -1.205 5.417 1.00 0.00 C ATOM 298 C ALA A 24 -14.834 -0.237 6.583 1.00 0.00 C ATOM 299 O ALA A 24 -14.034 -0.283 7.520 1.00 0.00 O ATOM 300 CB ALA A 24 -15.509 -2.475 5.685 1.00 0.00 C ATOM 0 H ALA A 24 -12.837 -1.959 5.940 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.139 -0.729 4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.552 -2.221 5.875 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.448 -3.132 4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.095 -2.984 6.555 1.00 0.00 H new ATOM 306 N GLY A 25 -15.821 0.641 6.522 1.00 0.00 N ATOM 307 CA GLY A 25 -16.006 1.619 7.575 1.00 0.00 C ATOM 308 C GLY A 25 -15.141 2.836 7.350 1.00 0.00 C ATOM 309 O GLY A 25 -14.762 3.532 8.292 1.00 0.00 O ATOM 0 H GLY A 25 -16.499 0.695 5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.054 1.917 7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.763 1.170 8.538 1.00 0.00 H new ATOM 313 N LEU A 26 -14.831 3.087 6.088 1.00 0.00 N ATOM 314 CA LEU A 26 -14.000 4.215 5.706 1.00 0.00 C ATOM 315 C LEU A 26 -14.867 5.413 5.337 1.00 0.00 C ATOM 316 O LEU A 26 -16.096 5.322 5.340 1.00 0.00 O ATOM 317 CB LEU A 26 -13.101 3.825 4.533 1.00 0.00 C ATOM 318 CG LEU A 26 -12.154 2.651 4.802 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.411 2.263 3.535 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.169 2.996 5.911 1.00 0.00 C ATOM 0 H LEU A 26 -15.147 2.517 5.304 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.373 4.494 6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.731 3.575 3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.507 4.693 4.247 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.752 1.800 5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.743 1.428 3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.128 1.970 2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.828 3.113 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.506 2.148 6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.579 3.864 5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.716 3.223 6.826 1.00 0.00 H new ATOM 332 N GLN A 27 -14.230 6.527 5.008 1.00 0.00 N ATOM 333 CA GLN A 27 -14.951 7.738 4.647 1.00 0.00 C ATOM 334 C GLN A 27 -15.298 7.722 3.161 1.00 0.00 C ATOM 335 O GLN A 27 -14.421 7.875 2.310 1.00 0.00 O ATOM 336 CB GLN A 27 -14.113 8.974 4.980 1.00 0.00 C ATOM 337 CG GLN A 27 -14.946 10.210 5.274 1.00 0.00 C ATOM 338 CD GLN A 27 -15.675 10.116 6.602 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.203 9.473 7.541 1.00 0.00 O ATOM 340 NE2 GLN A 27 -16.830 10.755 6.692 1.00 0.00 N ATOM 0 H GLN A 27 -13.214 6.617 4.984 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.876 7.778 5.223 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.485 8.755 5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.445 9.186 4.145 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.299 11.087 5.279 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.672 10.354 4.474 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.188 11.277 5.892 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.363 10.726 7.561 1.00 0.00 H new ATOM 349 N ALA A 28 -16.580 7.542 2.868 1.00 0.00 N ATOM 350 CA ALA A 28 -17.067 7.484 1.493 1.00 0.00 C ATOM 351 C ALA A 28 -16.687 8.734 0.706 1.00 0.00 C ATOM 352 O ALA A 28 -16.791 9.851 1.213 1.00 0.00 O ATOM 353 CB ALA A 28 -18.576 7.298 1.482 1.00 0.00 C ATOM 0 H ALA A 28 -17.309 7.432 3.572 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.593 6.631 1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -18.930 7.256 0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.832 6.369 1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.050 8.135 1.994 1.00 0.00 H new ATOM 359 N GLY A 29 -16.232 8.537 -0.526 1.00 0.00 N ATOM 360 CA GLY A 29 -15.847 9.656 -1.367 1.00 0.00 C ATOM 361 C GLY A 29 -14.349 9.880 -1.386 1.00 0.00 C ATOM 362 O GLY A 29 -13.798 10.385 -2.367 1.00 0.00 O ATOM 0 H GLY A 29 -16.122 7.620 -0.959 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.197 9.479 -2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.342 10.560 -1.012 1.00 0.00 H new ATOM 366 N THR A 30 -13.684 9.492 -0.308 1.00 0.00 N ATOM 367 CA THR A 30 -12.246 9.659 -0.197 1.00 0.00 C ATOM 368 C THR A 30 -11.503 8.568 -0.961 1.00 0.00 C ATOM 369 O THR A 30 -11.880 7.393 -0.908 1.00 0.00 O ATOM 370 CB THR A 30 -11.809 9.631 1.276 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.832 10.211 2.092 1.00 0.00 O ATOM 372 CG2 THR A 30 -10.511 10.398 1.474 1.00 0.00 C ATOM 0 H THR A 30 -14.121 9.058 0.505 1.00 0.00 H new ATOM 0 HA THR A 30 -11.996 10.627 -0.632 1.00 0.00 H new ATOM 0 HB THR A 30 -11.646 8.593 1.565 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.553 9.561 2.224 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.224 10.363 2.525 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.726 9.946 0.868 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.652 11.436 1.171 1.00 0.00 H new ATOM 380 N ALA A 31 -10.466 8.964 -1.687 1.00 0.00 N ATOM 381 CA ALA A 31 -9.669 8.020 -2.450 1.00 0.00 C ATOM 382 C ALA A 31 -8.532 7.485 -1.593 1.00 0.00 C ATOM 383 O ALA A 31 -7.756 8.258 -1.026 1.00 0.00 O ATOM 384 CB ALA A 31 -9.123 8.674 -3.707 1.00 0.00 C ATOM 0 H ALA A 31 -10.159 9.934 -1.762 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.306 7.188 -2.748 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.529 7.950 -4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.951 9.019 -4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.497 9.523 -3.433 1.00 0.00 H new ATOM 390 N TYR A 32 -8.438 6.172 -1.497 1.00 0.00 N ATOM 391 CA TYR A 32 -7.406 5.539 -0.700 1.00 0.00 C ATOM 392 C TYR A 32 -6.301 4.982 -1.588 1.00 0.00 C ATOM 393 O TYR A 32 -6.561 4.258 -2.556 1.00 0.00 O ATOM 394 CB TYR A 32 -8.011 4.435 0.176 1.00 0.00 C ATOM 395 CG TYR A 32 -8.878 4.966 1.300 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.195 5.346 1.073 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.372 5.101 2.587 1.00 0.00 C ATOM 398 CE1 TYR A 32 -10.983 5.843 2.093 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.154 5.598 3.613 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.461 5.969 3.360 1.00 0.00 C ATOM 401 OH TYR A 32 -11.246 6.468 4.376 1.00 0.00 O ATOM 0 H TYR A 32 -9.068 5.520 -1.964 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.964 6.292 -0.048 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.607 3.771 -0.450 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.205 3.836 0.600 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.610 5.251 0.081 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.351 4.813 2.789 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.005 6.132 1.897 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.745 5.696 4.608 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.728 6.492 5.208 1.00 0.00 H new ATOM 411 N ASP A 33 -5.074 5.347 -1.256 1.00 0.00 N ATOM 412 CA ASP A 33 -3.901 4.908 -1.994 1.00 0.00 C ATOM 413 C ASP A 33 -3.403 3.586 -1.445 1.00 0.00 C ATOM 414 O ASP A 33 -3.127 3.466 -0.250 1.00 0.00 O ATOM 415 CB ASP A 33 -2.783 5.948 -1.901 1.00 0.00 C ATOM 416 CG ASP A 33 -2.860 6.988 -2.996 1.00 0.00 C ATOM 417 OD1 ASP A 33 -3.693 7.916 -2.888 1.00 0.00 O ATOM 418 OD2 ASP A 33 -2.092 6.884 -3.972 1.00 0.00 O ATOM 0 H ASP A 33 -4.863 5.957 -0.466 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.185 4.785 -3.039 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.833 6.443 -0.931 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.818 5.444 -1.952 1.00 0.00 H new ATOM 423 N VAL A 34 -3.295 2.596 -2.312 1.00 0.00 N ATOM 424 CA VAL A 34 -2.832 1.279 -1.906 1.00 0.00 C ATOM 425 C VAL A 34 -1.629 0.847 -2.731 1.00 0.00 C ATOM 426 O VAL A 34 -1.613 0.994 -3.957 1.00 0.00 O ATOM 427 CB VAL A 34 -3.942 0.212 -2.042 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.510 -1.100 -1.404 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.243 0.705 -1.425 1.00 0.00 C ATOM 0 H VAL A 34 -3.522 2.678 -3.303 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.548 1.358 -0.857 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.113 0.035 -3.104 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.306 -1.836 -1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.609 -1.465 -1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.305 -0.940 -0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.010 -0.062 -1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.087 0.917 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.565 1.614 -1.933 1.00 0.00 H new ATOM 439 N GLY A 35 -0.622 0.321 -2.051 1.00 0.00 N ATOM 440 CA GLY A 35 0.571 -0.137 -2.726 1.00 0.00 C ATOM 441 C GLY A 35 1.505 -0.861 -1.785 1.00 0.00 C ATOM 442 O GLY A 35 1.259 -0.911 -0.575 1.00 0.00 O ATOM 0 H GLY A 35 -0.611 0.203 -1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.293 -0.801 -3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.088 0.715 -3.168 1.00 0.00 H new ATOM 446 N GLN A 36 2.571 -1.433 -2.323 1.00 0.00 N ATOM 447 CA GLN A 36 3.539 -2.138 -1.496 1.00 0.00 C ATOM 448 C GLN A 36 4.493 -1.134 -0.853 1.00 0.00 C ATOM 449 O GLN A 36 5.696 -1.142 -1.105 1.00 0.00 O ATOM 450 CB GLN A 36 4.308 -3.182 -2.314 1.00 0.00 C ATOM 451 CG GLN A 36 4.805 -2.676 -3.662 1.00 0.00 C ATOM 452 CD GLN A 36 5.756 -3.646 -4.338 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.740 -3.803 -5.557 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.596 -4.298 -3.552 1.00 0.00 N ATOM 0 H GLN A 36 2.787 -1.424 -3.320 1.00 0.00 H new ATOM 0 HA GLN A 36 3.006 -2.671 -0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.162 -3.527 -1.731 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.664 -4.046 -2.478 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.951 -2.496 -4.315 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.307 -1.719 -3.523 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.578 -4.140 -2.544 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.262 -4.959 -3.953 1.00 0.00 H new ATOM 463 N CYS A 37 3.930 -0.253 -0.042 1.00 0.00 N ATOM 464 CA CYS A 37 4.694 0.778 0.638 1.00 0.00 C ATOM 465 C CYS A 37 5.516 0.188 1.773 1.00 0.00 C ATOM 466 O CYS A 37 5.005 -0.047 2.866 1.00 0.00 O ATOM 467 CB CYS A 37 3.751 1.854 1.171 1.00 0.00 C ATOM 468 SG CYS A 37 2.303 2.162 0.103 1.00 0.00 S ATOM 0 H CYS A 37 2.931 -0.233 0.163 1.00 0.00 H new ATOM 0 HA CYS A 37 5.382 1.227 -0.078 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.404 1.561 2.162 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.307 2.784 1.290 1.00 0.00 H new ATOM 473 N ALA A 38 6.789 -0.046 1.502 1.00 0.00 N ATOM 474 CA ALA A 38 7.689 -0.612 2.488 1.00 0.00 C ATOM 475 C ALA A 38 8.638 0.451 3.026 1.00 0.00 C ATOM 476 O ALA A 38 8.518 1.631 2.689 1.00 0.00 O ATOM 477 CB ALA A 38 8.464 -1.778 1.885 1.00 0.00 C ATOM 0 H ALA A 38 7.223 0.150 0.600 1.00 0.00 H new ATOM 0 HA ALA A 38 7.098 -0.986 3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.136 -2.195 2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.766 -2.548 1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.045 -1.427 1.032 1.00 0.00 H new ATOM 483 N TRP A 39 9.577 0.016 3.855 1.00 0.00 N ATOM 484 CA TRP A 39 10.564 0.904 4.459 1.00 0.00 C ATOM 485 C TRP A 39 11.472 1.535 3.408 1.00 0.00 C ATOM 486 O TRP A 39 12.432 0.912 2.952 1.00 0.00 O ATOM 487 CB TRP A 39 11.414 0.117 5.456 1.00 0.00 C ATOM 488 CG TRP A 39 11.428 0.699 6.831 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.373 1.241 7.503 1.00 0.00 C ATOM 490 CD2 TRP A 39 12.556 0.790 7.708 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.775 1.664 8.746 1.00 0.00 N ATOM 492 CE2 TRP A 39 12.110 1.400 8.897 1.00 0.00 C ATOM 493 CE3 TRP A 39 13.898 0.416 7.604 1.00 0.00 C ATOM 494 CZ2 TRP A 39 12.959 1.645 9.969 1.00 0.00 C ATOM 495 CZ3 TRP A 39 14.739 0.659 8.670 1.00 0.00 C ATOM 496 CH2 TRP A 39 14.268 1.269 9.840 1.00 0.00 C ATOM 0 H TRP A 39 9.677 -0.962 4.128 1.00 0.00 H new ATOM 0 HA TRP A 39 10.028 1.705 4.968 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.041 -0.906 5.509 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.437 0.064 5.084 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.369 1.325 7.115 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.176 2.104 9.444 1.00 0.00 H new ATOM 0 HE3 TRP A 39 14.270 -0.055 6.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 12.599 2.115 10.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 15.778 0.374 8.602 1.00 0.00 H new ATOM 0 HH2 TRP A 39 14.952 1.446 10.657 1.00 0.00 H new ATOM 507 N VAL A 40 11.169 2.768 3.031 1.00 0.00 N ATOM 508 CA VAL A 40 11.969 3.481 2.047 1.00 0.00 C ATOM 509 C VAL A 40 13.139 4.175 2.742 1.00 0.00 C ATOM 510 O VAL A 40 14.156 4.495 2.124 1.00 0.00 O ATOM 511 CB VAL A 40 11.116 4.502 1.250 1.00 0.00 C ATOM 512 CG1 VAL A 40 10.872 5.780 2.041 1.00 0.00 C ATOM 513 CG2 VAL A 40 11.764 4.812 -0.089 1.00 0.00 C ATOM 0 H VAL A 40 10.374 3.296 3.392 1.00 0.00 H new ATOM 0 HA VAL A 40 12.357 2.758 1.330 1.00 0.00 H new ATOM 0 HB VAL A 40 10.144 4.043 1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.271 6.467 1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.343 5.541 2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 40 11.827 6.248 2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.150 5.530 -0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.756 5.234 0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.852 3.895 -0.672 1.00 0.00 H new ATOM 523 N ASP A 41 12.979 4.381 4.042 1.00 0.00 N ATOM 524 CA ASP A 41 14.001 5.008 4.869 1.00 0.00 C ATOM 525 C ASP A 41 13.741 4.653 6.323 1.00 0.00 C ATOM 526 O ASP A 41 12.832 3.877 6.617 1.00 0.00 O ATOM 527 CB ASP A 41 14.003 6.532 4.690 1.00 0.00 C ATOM 528 CG ASP A 41 15.386 7.132 4.845 1.00 0.00 C ATOM 529 OD1 ASP A 41 15.937 7.102 5.966 1.00 0.00 O ATOM 530 OD2 ASP A 41 15.935 7.628 3.842 1.00 0.00 O ATOM 0 H ASP A 41 12.137 4.118 4.553 1.00 0.00 H new ATOM 0 HA ASP A 41 14.980 4.639 4.563 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.612 6.779 3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.331 6.982 5.421 1.00 0.00 H new ATOM 535 N THR A 42 14.516 5.221 7.228 1.00 0.00 N ATOM 536 CA THR A 42 14.351 4.950 8.644 1.00 0.00 C ATOM 537 C THR A 42 13.141 5.705 9.190 1.00 0.00 C ATOM 538 O THR A 42 13.236 6.878 9.555 1.00 0.00 O ATOM 539 CB THR A 42 15.614 5.338 9.430 1.00 0.00 C ATOM 540 OG1 THR A 42 16.777 4.901 8.709 1.00 0.00 O ATOM 541 CG2 THR A 42 15.608 4.709 10.817 1.00 0.00 C ATOM 0 H THR A 42 15.268 5.874 7.007 1.00 0.00 H new ATOM 0 HA THR A 42 14.187 3.879 8.767 1.00 0.00 H new ATOM 0 HB THR A 42 15.632 6.422 9.545 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.583 5.149 9.208 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.512 4.999 11.352 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.733 5.053 11.369 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.574 3.623 10.724 1.00 0.00 H new ATOM 549 N GLY A 43 11.995 5.034 9.199 1.00 0.00 N ATOM 550 CA GLY A 43 10.774 5.642 9.693 1.00 0.00 C ATOM 551 C GLY A 43 9.866 6.088 8.568 1.00 0.00 C ATOM 552 O GLY A 43 8.658 6.238 8.754 1.00 0.00 O ATOM 0 H GLY A 43 11.890 4.074 8.871 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.244 4.929 10.325 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.023 6.499 10.319 1.00 0.00 H new ATOM 556 N VAL A 44 10.443 6.289 7.393 1.00 0.00 N ATOM 557 CA VAL A 44 9.679 6.727 6.234 1.00 0.00 C ATOM 558 C VAL A 44 9.350 5.545 5.333 1.00 0.00 C ATOM 559 O VAL A 44 10.213 4.713 5.046 1.00 0.00 O ATOM 560 CB VAL A 44 10.445 7.791 5.414 1.00 0.00 C ATOM 561 CG1 VAL A 44 9.501 8.541 4.480 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.173 8.758 6.334 1.00 0.00 C ATOM 0 H VAL A 44 11.439 6.156 7.216 1.00 0.00 H new ATOM 0 HA VAL A 44 8.757 7.173 6.608 1.00 0.00 H new ATOM 0 HB VAL A 44 11.187 7.277 4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.063 9.284 3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.035 7.836 3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.729 9.040 5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.705 9.498 5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.451 9.262 6.977 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.885 8.208 6.949 1.00 0.00 H new ATOM 572 N LEU A 45 8.100 5.465 4.902 1.00 0.00 N ATOM 573 CA LEU A 45 7.651 4.391 4.027 1.00 0.00 C ATOM 574 C LEU A 45 7.174 4.964 2.700 1.00 0.00 C ATOM 575 O LEU A 45 6.696 6.096 2.646 1.00 0.00 O ATOM 576 CB LEU A 45 6.523 3.591 4.684 1.00 0.00 C ATOM 577 CG LEU A 45 6.960 2.582 5.749 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.247 3.270 7.074 1.00 0.00 C ATOM 579 CD2 LEU A 45 5.894 1.517 5.931 1.00 0.00 C ATOM 0 H LEU A 45 7.373 6.137 5.146 1.00 0.00 H new ATOM 0 HA LEU A 45 8.492 3.721 3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.822 4.291 5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.979 3.057 3.905 1.00 0.00 H new ATOM 0 HG LEU A 45 7.881 2.109 5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.555 2.528 7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.045 4.000 6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.347 3.776 7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.217 0.805 6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.961 1.986 6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.737 0.994 4.988 1.00 0.00 H new ATOM 591 N ALA A 46 7.307 4.185 1.635 1.00 0.00 N ATOM 592 CA ALA A 46 6.891 4.632 0.314 1.00 0.00 C ATOM 593 C ALA A 46 6.613 3.448 -0.603 1.00 0.00 C ATOM 594 O ALA A 46 7.124 2.350 -0.382 1.00 0.00 O ATOM 595 CB ALA A 46 7.949 5.539 -0.294 1.00 0.00 C ATOM 0 H ALA A 46 7.698 3.243 1.660 1.00 0.00 H new ATOM 0 HA ALA A 46 5.965 5.197 0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.624 5.866 -1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.094 6.409 0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.888 4.993 -0.383 1.00 0.00 H new ATOM 601 N CYS A 47 5.800 3.672 -1.630 1.00 0.00 N ATOM 602 CA CYS A 47 5.454 2.620 -2.581 1.00 0.00 C ATOM 603 C CYS A 47 5.736 3.075 -4.006 1.00 0.00 C ATOM 604 O CYS A 47 5.998 4.255 -4.245 1.00 0.00 O ATOM 605 CB CYS A 47 3.980 2.237 -2.431 1.00 0.00 C ATOM 606 SG CYS A 47 3.017 3.364 -1.370 1.00 0.00 S ATOM 0 H CYS A 47 5.367 4.575 -1.826 1.00 0.00 H new ATOM 0 HA CYS A 47 6.069 1.745 -2.369 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.522 2.207 -3.420 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.918 1.229 -2.021 1.00 0.00 H new ATOM 611 N ASN A 48 5.687 2.137 -4.945 1.00 0.00 N ATOM 612 CA ASN A 48 5.942 2.435 -6.351 1.00 0.00 C ATOM 613 C ASN A 48 4.641 2.715 -7.099 1.00 0.00 C ATOM 614 O ASN A 48 3.711 1.910 -7.083 1.00 0.00 O ATOM 615 CB ASN A 48 6.699 1.279 -7.027 1.00 0.00 C ATOM 616 CG ASN A 48 5.992 -0.062 -6.915 1.00 0.00 C ATOM 617 OD1 ASN A 48 5.335 -0.358 -5.916 1.00 0.00 O ATOM 618 ND2 ASN A 48 6.130 -0.885 -7.943 1.00 0.00 N ATOM 0 H ASN A 48 5.472 1.158 -4.757 1.00 0.00 H new ATOM 0 HA ASN A 48 6.562 3.331 -6.390 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.842 1.517 -8.081 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.690 1.196 -6.581 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.684 -1.802 -7.926 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.683 -0.602 -8.752 1.00 0.00 H new ATOM 625 N PRO A 49 4.561 3.871 -7.772 1.00 0.00 N ATOM 626 CA PRO A 49 3.377 4.266 -8.539 1.00 0.00 C ATOM 627 C PRO A 49 3.238 3.473 -9.837 1.00 0.00 C ATOM 628 O PRO A 49 2.187 3.488 -10.470 1.00 0.00 O ATOM 629 CB PRO A 49 3.623 5.744 -8.839 1.00 0.00 C ATOM 630 CG PRO A 49 5.104 5.889 -8.831 1.00 0.00 C ATOM 631 CD PRO A 49 5.614 4.898 -7.819 1.00 0.00 C ATOM 0 HA PRO A 49 2.454 4.079 -7.990 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.202 6.028 -9.804 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.158 6.383 -8.088 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.521 5.688 -9.818 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.395 6.905 -8.563 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.572 4.475 -8.121 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.764 5.363 -6.844 1.00 0.00 H new ATOM 639 N ALA A 50 4.301 2.774 -10.225 1.00 0.00 N ATOM 640 CA ALA A 50 4.281 1.979 -11.446 1.00 0.00 C ATOM 641 C ALA A 50 3.398 0.747 -11.278 1.00 0.00 C ATOM 642 O ALA A 50 2.927 0.171 -12.258 1.00 0.00 O ATOM 643 CB ALA A 50 5.688 1.560 -11.844 1.00 0.00 C ATOM 0 H ALA A 50 5.183 2.743 -9.713 1.00 0.00 H new ATOM 0 HA ALA A 50 3.865 2.600 -12.239 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.646 0.968 -12.758 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.298 2.447 -12.014 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.130 0.964 -11.045 1.00 0.00 H new ATOM 649 N ASP A 51 3.179 0.346 -10.032 1.00 0.00 N ATOM 650 CA ASP A 51 2.349 -0.813 -9.743 1.00 0.00 C ATOM 651 C ASP A 51 1.494 -0.566 -8.509 1.00 0.00 C ATOM 652 O ASP A 51 1.436 -1.391 -7.597 1.00 0.00 O ATOM 653 CB ASP A 51 3.211 -2.061 -9.545 1.00 0.00 C ATOM 654 CG ASP A 51 2.573 -3.298 -10.151 1.00 0.00 C ATOM 655 OD1 ASP A 51 1.335 -3.312 -10.337 1.00 0.00 O ATOM 656 OD2 ASP A 51 3.309 -4.251 -10.470 1.00 0.00 O ATOM 0 H ASP A 51 3.565 0.806 -9.208 1.00 0.00 H new ATOM 0 HA ASP A 51 1.691 -0.978 -10.596 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.190 -1.900 -9.997 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.374 -2.223 -8.480 1.00 0.00 H new ATOM 661 N PHE A 52 0.830 0.576 -8.479 1.00 0.00 N ATOM 662 CA PHE A 52 -0.025 0.921 -7.356 1.00 0.00 C ATOM 663 C PHE A 52 -1.482 0.888 -7.797 1.00 0.00 C ATOM 664 O PHE A 52 -1.772 0.825 -8.993 1.00 0.00 O ATOM 665 CB PHE A 52 0.355 2.299 -6.778 1.00 0.00 C ATOM 666 CG PHE A 52 -0.432 3.458 -7.336 1.00 0.00 C ATOM 667 CD1 PHE A 52 -0.242 3.887 -8.638 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.365 4.119 -6.549 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.966 4.951 -9.146 1.00 0.00 C ATOM 670 CE2 PHE A 52 -2.089 5.182 -7.050 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.891 5.599 -8.349 1.00 0.00 C ATOM 0 H PHE A 52 0.866 1.279 -9.217 1.00 0.00 H new ATOM 0 HA PHE A 52 0.116 0.188 -6.562 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.220 2.273 -5.697 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.415 2.475 -6.963 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.480 3.385 -9.265 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.527 3.797 -5.531 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.809 5.275 -10.164 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.810 5.687 -6.425 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.457 6.430 -8.743 1.00 0.00 H new ATOM 681 N SER A 53 -2.398 0.909 -6.845 1.00 0.00 N ATOM 682 CA SER A 53 -3.812 0.881 -7.166 1.00 0.00 C ATOM 683 C SER A 53 -4.587 1.874 -6.309 1.00 0.00 C ATOM 684 O SER A 53 -4.561 1.810 -5.078 1.00 0.00 O ATOM 685 CB SER A 53 -4.367 -0.536 -6.991 1.00 0.00 C ATOM 686 OG SER A 53 -3.671 -1.454 -7.819 1.00 0.00 O ATOM 0 H SER A 53 -2.188 0.945 -5.847 1.00 0.00 H new ATOM 0 HA SER A 53 -3.933 1.176 -8.208 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.278 -0.840 -5.948 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.429 -0.549 -7.238 1.00 0.00 H new ATOM 0 HG SER A 53 -3.871 -2.370 -7.532 1.00 0.00 H new ATOM 692 N SER A 54 -5.246 2.812 -6.969 1.00 0.00 N ATOM 693 CA SER A 54 -6.042 3.815 -6.287 1.00 0.00 C ATOM 694 C SER A 54 -7.495 3.365 -6.230 1.00 0.00 C ATOM 695 O SER A 54 -8.112 3.094 -7.265 1.00 0.00 O ATOM 696 CB SER A 54 -5.922 5.155 -7.012 1.00 0.00 C ATOM 697 OG SER A 54 -5.624 4.965 -8.389 1.00 0.00 O ATOM 0 H SER A 54 -5.244 2.898 -7.985 1.00 0.00 H new ATOM 0 HA SER A 54 -5.674 3.939 -5.268 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.854 5.712 -6.911 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.140 5.755 -6.547 1.00 0.00 H new ATOM 0 HG SER A 54 -5.554 5.836 -8.832 1.00 0.00 H new ATOM 703 N VAL A 55 -8.031 3.255 -5.025 1.00 0.00 N ATOM 704 CA VAL A 55 -9.408 2.837 -4.839 1.00 0.00 C ATOM 705 C VAL A 55 -10.149 3.829 -3.948 1.00 0.00 C ATOM 706 O VAL A 55 -9.674 4.199 -2.876 1.00 0.00 O ATOM 707 CB VAL A 55 -9.489 1.408 -4.248 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.787 1.322 -2.901 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.933 0.949 -4.129 1.00 0.00 C ATOM 0 H VAL A 55 -7.529 3.451 -4.159 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.888 2.819 -5.817 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.972 0.740 -4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.863 0.305 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.736 1.587 -3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.258 2.012 -2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.962 -0.057 -3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.478 1.629 -3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.396 0.946 -5.116 1.00 0.00 H new ATOM 719 N THR A 56 -11.299 4.286 -4.410 1.00 0.00 N ATOM 720 CA THR A 56 -12.092 5.237 -3.653 1.00 0.00 C ATOM 721 C THR A 56 -13.176 4.516 -2.860 1.00 0.00 C ATOM 722 O THR A 56 -13.662 3.457 -3.273 1.00 0.00 O ATOM 723 CB THR A 56 -12.718 6.313 -4.576 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.329 7.346 -3.796 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.753 5.710 -5.517 1.00 0.00 C ATOM 0 H THR A 56 -11.704 4.014 -5.306 1.00 0.00 H new ATOM 0 HA THR A 56 -11.427 5.745 -2.955 1.00 0.00 H new ATOM 0 HB THR A 56 -11.912 6.736 -5.176 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.941 7.349 -2.896 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.171 6.494 -6.149 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.279 4.954 -6.143 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.551 5.250 -4.934 1.00 0.00 H new ATOM 733 N ALA A 57 -13.523 5.070 -1.709 1.00 0.00 N ATOM 734 CA ALA A 57 -14.552 4.486 -0.868 1.00 0.00 C ATOM 735 C ALA A 57 -15.919 4.696 -1.498 1.00 0.00 C ATOM 736 O ALA A 57 -16.296 5.825 -1.825 1.00 0.00 O ATOM 737 CB ALA A 57 -14.503 5.081 0.529 1.00 0.00 C ATOM 0 H ALA A 57 -13.106 5.923 -1.337 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.370 3.415 -0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.282 4.630 1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.528 4.883 0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.663 6.158 0.472 1.00 0.00 H new ATOM 743 N ASP A 58 -16.645 3.606 -1.671 1.00 0.00 N ATOM 744 CA ASP A 58 -17.970 3.648 -2.276 1.00 0.00 C ATOM 745 C ASP A 58 -18.996 4.253 -1.316 1.00 0.00 C ATOM 746 O ASP A 58 -18.654 4.654 -0.203 1.00 0.00 O ATOM 747 CB ASP A 58 -18.395 2.240 -2.716 1.00 0.00 C ATOM 748 CG ASP A 58 -18.968 1.400 -1.588 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.392 1.396 -0.481 1.00 0.00 O ATOM 750 OD2 ASP A 58 -19.997 0.729 -1.814 1.00 0.00 O ATOM 0 H ASP A 58 -16.338 2.672 -1.399 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.925 4.289 -3.156 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.138 2.325 -3.509 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.533 1.725 -3.140 1.00 0.00 H new ATOM 755 N ALA A 59 -20.255 4.297 -1.748 1.00 0.00 N ATOM 756 CA ALA A 59 -21.337 4.867 -0.944 1.00 0.00 C ATOM 757 C ALA A 59 -21.503 4.135 0.385 1.00 0.00 C ATOM 758 O ALA A 59 -21.976 4.714 1.363 1.00 0.00 O ATOM 759 CB ALA A 59 -22.646 4.846 -1.721 1.00 0.00 C ATOM 0 H ALA A 59 -20.553 3.942 -2.657 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.069 5.900 -0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.440 5.273 -1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.537 5.432 -2.634 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -22.900 3.818 -1.978 1.00 0.00 H new ATOM 765 N ASN A 60 -21.108 2.871 0.419 1.00 0.00 N ATOM 766 CA ASN A 60 -21.218 2.068 1.632 1.00 0.00 C ATOM 767 C ASN A 60 -19.998 2.264 2.527 1.00 0.00 C ATOM 768 O ASN A 60 -19.912 1.687 3.614 1.00 0.00 O ATOM 769 CB ASN A 60 -21.386 0.585 1.286 1.00 0.00 C ATOM 770 CG ASN A 60 -22.625 0.321 0.452 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.738 0.272 0.971 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.440 0.152 -0.847 1.00 0.00 N ATOM 0 H ASN A 60 -20.708 2.377 -0.379 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.102 2.402 2.176 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.506 0.240 0.743 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.441 0.004 2.207 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.238 -0.027 -1.457 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.499 0.200 -1.239 1.00 0.00 H new ATOM 779 N GLY A 61 -19.057 3.081 2.066 1.00 0.00 N ATOM 780 CA GLY A 61 -17.858 3.355 2.833 1.00 0.00 C ATOM 781 C GLY A 61 -16.880 2.202 2.812 1.00 0.00 C ATOM 782 O GLY A 61 -16.229 1.912 3.819 1.00 0.00 O ATOM 0 H GLY A 61 -19.105 3.561 1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.372 4.246 2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.133 3.575 3.865 1.00 0.00 H new ATOM 786 N SER A 62 -16.769 1.543 1.668 1.00 0.00 N ATOM 787 CA SER A 62 -15.861 0.416 1.530 1.00 0.00 C ATOM 788 C SER A 62 -14.956 0.579 0.309 1.00 0.00 C ATOM 789 O SER A 62 -15.337 1.196 -0.687 1.00 0.00 O ATOM 790 CB SER A 62 -16.661 -0.884 1.432 1.00 0.00 C ATOM 791 OG SER A 62 -18.038 -0.620 1.208 1.00 0.00 O ATOM 0 H SER A 62 -17.295 1.769 0.824 1.00 0.00 H new ATOM 0 HA SER A 62 -15.223 0.379 2.413 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.268 -1.496 0.620 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.542 -1.458 2.351 1.00 0.00 H new ATOM 0 HG SER A 62 -18.143 -0.115 0.375 1.00 0.00 H new ATOM 797 N ALA A 63 -13.752 0.033 0.401 1.00 0.00 N ATOM 798 CA ALA A 63 -12.787 0.105 -0.684 1.00 0.00 C ATOM 799 C ALA A 63 -12.081 -1.234 -0.864 1.00 0.00 C ATOM 800 O ALA A 63 -11.255 -1.623 -0.039 1.00 0.00 O ATOM 801 CB ALA A 63 -11.777 1.209 -0.413 1.00 0.00 C ATOM 0 H ALA A 63 -13.419 -0.469 1.224 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.318 0.336 -1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.059 1.254 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.295 2.164 -0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.252 1.001 0.519 1.00 0.00 H new ATOM 807 N SER A 64 -12.428 -1.944 -1.930 1.00 0.00 N ATOM 808 CA SER A 64 -11.826 -3.237 -2.218 1.00 0.00 C ATOM 809 C SER A 64 -10.911 -3.126 -3.435 1.00 0.00 C ATOM 810 O SER A 64 -11.359 -2.762 -4.526 1.00 0.00 O ATOM 811 CB SER A 64 -12.922 -4.275 -2.472 1.00 0.00 C ATOM 812 OG SER A 64 -14.169 -3.841 -1.943 1.00 0.00 O ATOM 0 H SER A 64 -13.126 -1.644 -2.611 1.00 0.00 H new ATOM 0 HA SER A 64 -11.232 -3.554 -1.361 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.019 -4.451 -3.543 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.641 -5.225 -2.017 1.00 0.00 H new ATOM 0 HG SER A 64 -14.853 -4.520 -2.119 1.00 0.00 H new ATOM 818 N THR A 65 -9.635 -3.433 -3.253 1.00 0.00 N ATOM 819 CA THR A 65 -8.677 -3.343 -4.338 1.00 0.00 C ATOM 820 C THR A 65 -7.689 -4.509 -4.305 1.00 0.00 C ATOM 821 O THR A 65 -7.649 -5.285 -3.345 1.00 0.00 O ATOM 822 CB THR A 65 -7.908 -2.005 -4.275 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.257 -1.744 -5.523 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.876 -2.012 -3.156 1.00 0.00 C ATOM 0 H THR A 65 -9.242 -3.746 -2.365 1.00 0.00 H new ATOM 0 HA THR A 65 -9.235 -3.391 -5.273 1.00 0.00 H new ATOM 0 HB THR A 65 -8.634 -1.218 -4.072 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.775 -0.892 -5.469 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.352 -1.056 -3.138 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.376 -2.169 -2.201 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.160 -2.815 -3.327 1.00 0.00 H new ATOM 832 N SER A 66 -6.894 -4.611 -5.358 1.00 0.00 N ATOM 833 CA SER A 66 -5.895 -5.656 -5.487 1.00 0.00 C ATOM 834 C SER A 66 -4.545 -5.028 -5.815 1.00 0.00 C ATOM 835 O SER A 66 -4.468 -4.118 -6.642 1.00 0.00 O ATOM 836 CB SER A 66 -6.317 -6.639 -6.577 1.00 0.00 C ATOM 837 OG SER A 66 -7.619 -7.147 -6.324 1.00 0.00 O ATOM 0 H SER A 66 -6.925 -3.968 -6.149 1.00 0.00 H new ATOM 0 HA SER A 66 -5.807 -6.202 -4.548 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.298 -6.143 -7.547 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.604 -7.462 -6.626 1.00 0.00 H new ATOM 0 HG SER A 66 -7.870 -7.773 -7.035 1.00 0.00 H new ATOM 843 N LEU A 67 -3.490 -5.501 -5.165 1.00 0.00 N ATOM 844 CA LEU A 67 -2.154 -4.955 -5.379 1.00 0.00 C ATOM 845 C LEU A 67 -1.168 -6.040 -5.805 1.00 0.00 C ATOM 846 O LEU A 67 -1.204 -7.155 -5.293 1.00 0.00 O ATOM 847 CB LEU A 67 -1.664 -4.290 -4.085 1.00 0.00 C ATOM 848 CG LEU A 67 -0.841 -3.006 -4.252 1.00 0.00 C ATOM 849 CD1 LEU A 67 0.556 -3.305 -4.771 1.00 0.00 C ATOM 850 CD2 LEU A 67 -1.552 -2.033 -5.174 1.00 0.00 C ATOM 0 H LEU A 67 -3.532 -6.261 -4.486 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.210 -4.219 -6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.532 -4.062 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.062 -5.013 -3.535 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.740 -2.547 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.112 -2.373 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.073 -3.958 -4.068 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.486 -3.799 -5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.953 -1.129 -5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.690 -2.494 -6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.524 -1.777 -4.753 1.00 0.00 H new ATOM 862 N THR A 68 -0.291 -5.704 -6.742 1.00 0.00 N ATOM 863 CA THR A 68 0.722 -6.635 -7.222 1.00 0.00 C ATOM 864 C THR A 68 2.066 -6.327 -6.563 1.00 0.00 C ATOM 865 O THR A 68 2.705 -5.326 -6.881 1.00 0.00 O ATOM 866 CB THR A 68 0.884 -6.547 -8.750 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.390 -6.306 -9.370 1.00 0.00 O ATOM 868 CG2 THR A 68 1.487 -7.831 -9.300 1.00 0.00 C ATOM 0 H THR A 68 -0.261 -4.787 -7.187 1.00 0.00 H new ATOM 0 HA THR A 68 0.397 -7.642 -6.961 1.00 0.00 H new ATOM 0 HB THR A 68 1.556 -5.719 -8.976 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.276 -6.250 -10.342 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.593 -7.749 -10.382 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.466 -7.995 -8.850 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.834 -8.671 -9.062 1.00 0.00 H new ATOM 876 N VAL A 69 2.488 -7.180 -5.640 1.00 0.00 N ATOM 877 CA VAL A 69 3.745 -6.969 -4.939 1.00 0.00 C ATOM 878 C VAL A 69 4.934 -7.493 -5.744 1.00 0.00 C ATOM 879 O VAL A 69 4.968 -8.658 -6.147 1.00 0.00 O ATOM 880 CB VAL A 69 3.727 -7.623 -3.533 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.373 -9.103 -3.608 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.064 -7.423 -2.831 1.00 0.00 C ATOM 0 H VAL A 69 1.981 -8.020 -5.361 1.00 0.00 H new ATOM 0 HA VAL A 69 3.861 -5.892 -4.818 1.00 0.00 H new ATOM 0 HB VAL A 69 2.951 -7.129 -2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.370 -9.528 -2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.385 -9.219 -4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.110 -9.623 -4.220 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.031 -7.889 -1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.857 -7.880 -3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.261 -6.357 -2.721 1.00 0.00 H new ATOM 892 N ARG A 70 5.896 -6.615 -5.998 1.00 0.00 N ATOM 893 CA ARG A 70 7.097 -6.983 -6.740 1.00 0.00 C ATOM 894 C ARG A 70 8.254 -7.230 -5.776 1.00 0.00 C ATOM 895 O ARG A 70 8.184 -6.850 -4.605 1.00 0.00 O ATOM 896 CB ARG A 70 7.470 -5.882 -7.736 1.00 0.00 C ATOM 897 CG ARG A 70 6.349 -5.523 -8.699 1.00 0.00 C ATOM 898 CD ARG A 70 5.929 -6.719 -9.543 1.00 0.00 C ATOM 899 NE ARG A 70 4.810 -6.390 -10.424 1.00 0.00 N ATOM 900 CZ ARG A 70 4.376 -7.166 -11.411 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.947 -8.344 -11.651 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.356 -6.769 -12.159 1.00 0.00 N ATOM 0 H ARG A 70 5.868 -5.640 -5.700 1.00 0.00 H new ATOM 0 HA ARG A 70 6.895 -7.900 -7.294 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.763 -4.989 -7.184 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.340 -6.202 -8.309 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.491 -5.154 -8.137 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.675 -4.713 -9.352 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.775 -7.059 -10.140 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.648 -7.545 -8.890 1.00 0.00 H new ATOM 0 HE ARG A 70 4.329 -5.504 -10.270 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.727 -8.660 -11.074 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.605 -8.931 -12.412 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.908 -5.871 -11.976 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.019 -7.361 -12.918 1.00 0.00 H new ATOM 916 N ARG A 71 9.313 -7.864 -6.271 1.00 0.00 N ATOM 917 CA ARG A 71 10.483 -8.176 -5.453 1.00 0.00 C ATOM 918 C ARG A 71 11.264 -6.911 -5.104 1.00 0.00 C ATOM 919 O ARG A 71 11.733 -6.747 -3.980 1.00 0.00 O ATOM 920 CB ARG A 71 11.384 -9.160 -6.196 1.00 0.00 C ATOM 921 CG ARG A 71 12.467 -9.783 -5.330 1.00 0.00 C ATOM 922 CD ARG A 71 11.895 -10.798 -4.353 1.00 0.00 C ATOM 923 NE ARG A 71 11.256 -11.924 -5.032 1.00 0.00 N ATOM 924 CZ ARG A 71 11.138 -13.141 -4.506 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.652 -13.410 -3.314 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.508 -14.092 -5.178 1.00 0.00 N ATOM 0 H ARG A 71 9.386 -8.174 -7.240 1.00 0.00 H new ATOM 0 HA ARG A 71 10.141 -8.628 -4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.768 -9.955 -6.616 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.855 -8.645 -7.033 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.207 -10.268 -5.967 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.986 -9.000 -4.778 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.693 -11.170 -3.710 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.168 -10.307 -3.706 1.00 0.00 H new ATOM 0 HE ARG A 71 10.877 -11.767 -5.966 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.142 -12.682 -2.794 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.558 -14.345 -2.917 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.114 -13.891 -6.097 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.417 -15.025 -4.776 1.00 0.00 H new ATOM 940 N SER A 72 11.412 -6.029 -6.071 1.00 0.00 N ATOM 941 CA SER A 72 12.124 -4.778 -5.862 1.00 0.00 C ATOM 942 C SER A 72 11.319 -3.633 -6.469 1.00 0.00 C ATOM 943 O SER A 72 10.805 -3.762 -7.581 1.00 0.00 O ATOM 944 CB SER A 72 13.516 -4.858 -6.494 1.00 0.00 C ATOM 945 OG SER A 72 14.135 -6.105 -6.207 1.00 0.00 O ATOM 0 H SER A 72 11.048 -6.153 -7.016 1.00 0.00 H new ATOM 0 HA SER A 72 12.245 -4.597 -4.794 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.437 -4.727 -7.573 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.137 -4.045 -6.119 1.00 0.00 H new ATOM 0 HG SER A 72 14.653 -6.030 -5.379 1.00 0.00 H new ATOM 951 N PHE A 73 11.199 -2.521 -5.752 1.00 0.00 N ATOM 952 CA PHE A 73 10.426 -1.389 -6.248 1.00 0.00 C ATOM 953 C PHE A 73 11.064 -0.056 -5.866 1.00 0.00 C ATOM 954 O PHE A 73 12.001 -0.007 -5.071 1.00 0.00 O ATOM 955 CB PHE A 73 8.993 -1.461 -5.698 1.00 0.00 C ATOM 956 CG PHE A 73 8.893 -1.166 -4.223 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.099 -2.166 -3.283 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.589 0.112 -3.778 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.007 -1.894 -1.933 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.495 0.387 -2.430 1.00 0.00 C ATOM 961 CZ PHE A 73 8.704 -0.616 -1.506 1.00 0.00 C ATOM 0 H PHE A 73 11.622 -2.380 -4.835 1.00 0.00 H new ATOM 0 HA PHE A 73 10.408 -1.446 -7.336 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.368 -0.754 -6.244 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.590 -2.456 -5.888 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.334 -3.168 -3.611 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.424 0.902 -4.496 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.172 -2.680 -1.211 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.258 1.387 -2.098 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.631 -0.402 -0.450 1.00 0.00 H new ATOM 971 N GLU A 74 10.543 1.018 -6.441 1.00 0.00 N ATOM 972 CA GLU A 74 11.025 2.361 -6.164 1.00 0.00 C ATOM 973 C GLU A 74 10.055 3.070 -5.226 1.00 0.00 C ATOM 974 O GLU A 74 8.855 3.102 -5.481 1.00 0.00 O ATOM 975 CB GLU A 74 11.157 3.160 -7.464 1.00 0.00 C ATOM 976 CG GLU A 74 11.654 2.344 -8.649 1.00 0.00 C ATOM 977 CD GLU A 74 10.520 1.716 -9.438 1.00 0.00 C ATOM 978 OE1 GLU A 74 10.111 0.585 -9.109 1.00 0.00 O ATOM 979 OE2 GLU A 74 10.033 2.351 -10.397 1.00 0.00 O ATOM 0 H GLU A 74 9.775 0.982 -7.112 1.00 0.00 H new ATOM 0 HA GLU A 74 12.005 2.291 -5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.187 3.589 -7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.841 3.993 -7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.239 2.985 -9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.322 1.560 -8.292 1.00 0.00 H new ATOM 986 N GLY A 75 10.572 3.629 -4.145 1.00 0.00 N ATOM 987 CA GLY A 75 9.723 4.314 -3.192 1.00 0.00 C ATOM 988 C GLY A 75 9.439 5.746 -3.594 1.00 0.00 C ATOM 989 O GLY A 75 10.366 6.524 -3.840 1.00 0.00 O ATOM 0 H GLY A 75 11.564 3.622 -3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.781 3.774 -3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.200 4.303 -2.212 1.00 0.00 H new ATOM 993 N PHE A 76 8.163 6.105 -3.653 1.00 0.00 N ATOM 994 CA PHE A 76 7.768 7.450 -4.040 1.00 0.00 C ATOM 995 C PHE A 76 6.923 8.099 -2.955 1.00 0.00 C ATOM 996 O PHE A 76 6.219 7.414 -2.213 1.00 0.00 O ATOM 997 CB PHE A 76 6.975 7.417 -5.349 1.00 0.00 C ATOM 998 CG PHE A 76 7.825 7.453 -6.591 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.659 6.396 -6.910 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.783 8.545 -7.440 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.438 6.426 -8.051 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.560 8.583 -8.583 1.00 0.00 C ATOM 1003 CZ PHE A 76 9.389 7.519 -8.888 1.00 0.00 C ATOM 0 H PHE A 76 7.385 5.482 -3.437 1.00 0.00 H new ATOM 0 HA PHE A 76 8.675 8.038 -4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.364 6.514 -5.367 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.291 8.265 -5.367 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.702 5.536 -6.258 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.136 9.377 -7.207 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.084 5.593 -8.286 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.520 9.442 -9.236 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.997 7.545 -9.780 1.00 0.00 H new ATOM 1013 N LEU A 77 6.994 9.419 -2.873 1.00 0.00 N ATOM 1014 CA LEU A 77 6.229 10.170 -1.886 1.00 0.00 C ATOM 1015 C LEU A 77 4.830 10.474 -2.412 1.00 0.00 C ATOM 1016 O LEU A 77 4.505 10.145 -3.555 1.00 0.00 O ATOM 1017 CB LEU A 77 6.936 11.481 -1.529 1.00 0.00 C ATOM 1018 CG LEU A 77 8.304 11.334 -0.864 1.00 0.00 C ATOM 1019 CD1 LEU A 77 8.927 12.706 -0.654 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.178 10.593 0.463 1.00 0.00 C ATOM 0 H LEU A 77 7.576 9.995 -3.481 1.00 0.00 H new ATOM 0 HA LEU A 77 6.150 9.556 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.056 12.068 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.288 12.053 -0.864 1.00 0.00 H new ATOM 0 HG LEU A 77 8.952 10.750 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.902 12.594 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.047 13.202 -1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.279 13.306 -0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.162 10.498 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.519 11.150 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.762 9.601 0.288 1.00 0.00 H new ATOM 1032 N PHE A 78 4.016 11.128 -1.588 1.00 0.00 N ATOM 1033 CA PHE A 78 2.649 11.484 -1.967 1.00 0.00 C ATOM 1034 C PHE A 78 2.652 12.648 -2.952 1.00 0.00 C ATOM 1035 O PHE A 78 1.639 12.948 -3.584 1.00 0.00 O ATOM 1036 CB PHE A 78 1.833 11.853 -0.726 1.00 0.00 C ATOM 1037 CG PHE A 78 0.760 10.856 -0.381 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -0.370 10.732 -1.173 1.00 0.00 C ATOM 1039 CD2 PHE A 78 0.878 10.048 0.739 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -1.360 9.820 -0.855 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -0.109 9.135 1.062 1.00 0.00 C ATOM 1042 CZ PHE A 78 -1.229 9.022 0.263 1.00 0.00 C ATOM 0 H PHE A 78 4.280 11.424 -0.648 1.00 0.00 H new ATOM 0 HA PHE A 78 2.191 10.620 -2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.508 11.953 0.124 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.372 12.828 -0.884 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.479 11.355 -2.049 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.752 10.133 1.368 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.235 9.732 -1.482 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.004 8.512 1.938 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.002 8.310 0.513 1.00 0.00 H new ATOM 1052 N ASP A 79 3.794 13.310 -3.070 1.00 0.00 N ATOM 1053 CA ASP A 79 3.928 14.442 -3.977 1.00 0.00 C ATOM 1054 C ASP A 79 4.376 13.977 -5.365 1.00 0.00 C ATOM 1055 O ASP A 79 4.092 14.632 -6.370 1.00 0.00 O ATOM 1056 CB ASP A 79 4.910 15.475 -3.407 1.00 0.00 C ATOM 1057 CG ASP A 79 6.321 15.308 -3.932 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.977 14.303 -3.582 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.782 16.181 -4.693 1.00 0.00 O ATOM 0 H ASP A 79 4.641 13.083 -2.549 1.00 0.00 H new ATOM 0 HA ASP A 79 2.952 14.916 -4.078 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.555 16.477 -3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.922 15.395 -2.320 1.00 0.00 H new ATOM 1064 N GLY A 80 5.058 12.839 -5.420 1.00 0.00 N ATOM 1065 CA GLY A 80 5.514 12.320 -6.692 1.00 0.00 C ATOM 1066 C GLY A 80 7.026 12.189 -6.776 1.00 0.00 C ATOM 1067 O GLY A 80 7.555 11.719 -7.783 1.00 0.00 O ATOM 0 H GLY A 80 5.302 12.270 -4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.061 11.343 -6.862 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.167 12.976 -7.490 1.00 0.00 H new ATOM 1071 N THR A 81 7.735 12.606 -5.735 1.00 0.00 N ATOM 1072 CA THR A 81 9.187 12.511 -5.735 1.00 0.00 C ATOM 1073 C THR A 81 9.646 11.121 -5.301 1.00 0.00 C ATOM 1074 O THR A 81 9.018 10.487 -4.452 1.00 0.00 O ATOM 1075 CB THR A 81 9.812 13.580 -4.821 1.00 0.00 C ATOM 1076 OG1 THR A 81 9.209 14.847 -5.095 1.00 0.00 O ATOM 1077 CG2 THR A 81 11.322 13.678 -5.030 1.00 0.00 C ATOM 0 H THR A 81 7.333 13.009 -4.889 1.00 0.00 H new ATOM 0 HA THR A 81 9.526 12.686 -6.756 1.00 0.00 H new ATOM 0 HB THR A 81 9.632 13.293 -3.785 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.604 15.530 -4.513 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.732 14.442 -4.369 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.784 12.717 -4.804 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.529 13.945 -6.066 1.00 0.00 H new ATOM 1085 N ARG A 82 10.735 10.653 -5.904 1.00 0.00 N ATOM 1086 CA ARG A 82 11.291 9.346 -5.595 1.00 0.00 C ATOM 1087 C ARG A 82 12.281 9.458 -4.448 1.00 0.00 C ATOM 1088 O ARG A 82 13.184 10.293 -4.480 1.00 0.00 O ATOM 1089 CB ARG A 82 11.972 8.738 -6.828 1.00 0.00 C ATOM 1090 CG ARG A 82 12.770 9.731 -7.666 1.00 0.00 C ATOM 1091 CD ARG A 82 11.911 10.366 -8.752 1.00 0.00 C ATOM 1092 NE ARG A 82 12.351 11.723 -9.071 1.00 0.00 N ATOM 1093 CZ ARG A 82 11.530 12.761 -9.237 1.00 0.00 C ATOM 1094 NH1 ARG A 82 10.211 12.604 -9.119 1.00 0.00 N ATOM 1095 NH2 ARG A 82 12.027 13.956 -9.526 1.00 0.00 N ATOM 0 H ARG A 82 11.252 11.168 -6.616 1.00 0.00 H new ATOM 0 HA ARG A 82 10.476 8.687 -5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.638 7.939 -6.502 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.210 8.280 -7.459 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.175 10.510 -7.020 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.619 9.223 -8.123 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.949 9.751 -9.651 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.871 10.389 -8.426 1.00 0.00 H new ATOM 0 HE ARG A 82 13.352 11.887 -9.173 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.824 11.686 -8.900 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.589 13.402 -9.247 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.035 14.080 -9.621 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.401 14.751 -9.653 1.00 0.00 H new ATOM 1109 N TRP A 83 12.117 8.607 -3.447 1.00 0.00 N ATOM 1110 CA TRP A 83 12.986 8.624 -2.280 1.00 0.00 C ATOM 1111 C TRP A 83 14.185 7.701 -2.476 1.00 0.00 C ATOM 1112 O TRP A 83 15.318 8.071 -2.167 1.00 0.00 O ATOM 1113 CB TRP A 83 12.207 8.212 -1.034 1.00 0.00 C ATOM 1114 CG TRP A 83 12.862 8.630 0.247 1.00 0.00 C ATOM 1115 CD1 TRP A 83 13.789 7.930 0.963 1.00 0.00 C ATOM 1116 CD2 TRP A 83 12.635 9.845 0.968 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.151 8.635 2.084 1.00 0.00 N ATOM 1118 CE2 TRP A 83 13.455 9.815 2.108 1.00 0.00 C ATOM 1119 CE3 TRP A 83 11.818 10.960 0.755 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 13.478 10.854 3.036 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 11.842 11.990 1.676 1.00 0.00 C ATOM 1122 CH2 TRP A 83 12.668 11.931 2.801 1.00 0.00 C ATOM 0 H TRP A 83 11.388 7.894 -3.419 1.00 0.00 H new ATOM 0 HA TRP A 83 13.355 9.641 -2.149 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.208 8.646 -1.080 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.085 7.129 -1.034 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.181 6.962 0.688 1.00 0.00 H new ATOM 0 HE1 TRP A 83 14.827 8.330 2.784 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.179 11.015 -0.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 14.112 10.811 3.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 11.212 12.854 1.524 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.667 12.754 3.501 1.00 0.00 H new ATOM 1133 N GLY A 84 13.930 6.500 -2.985 1.00 0.00 N ATOM 1134 CA GLY A 84 15.001 5.549 -3.206 1.00 0.00 C ATOM 1135 C GLY A 84 14.481 4.204 -3.666 1.00 0.00 C ATOM 1136 O GLY A 84 13.268 3.992 -3.729 1.00 0.00 O ATOM 0 H GLY A 84 13.001 6.170 -3.248 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.689 5.946 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.569 5.422 -2.284 1.00 0.00 H new ATOM 1140 N THR A 85 15.390 3.297 -3.978 1.00 0.00 N ATOM 1141 CA THR A 85 15.025 1.966 -4.437 1.00 0.00 C ATOM 1142 C THR A 85 14.936 0.992 -3.264 1.00 0.00 C ATOM 1143 O THR A 85 15.909 0.785 -2.538 1.00 0.00 O ATOM 1144 CB THR A 85 16.044 1.440 -5.466 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.369 2.480 -6.400 1.00 0.00 O ATOM 1146 CG2 THR A 85 15.488 0.240 -6.216 1.00 0.00 C ATOM 0 H THR A 85 16.395 3.459 -3.921 1.00 0.00 H new ATOM 0 HA THR A 85 14.047 2.039 -4.913 1.00 0.00 H new ATOM 0 HB THR A 85 16.942 1.130 -4.932 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.018 2.143 -7.052 1.00 0.00 H new ATOM 0 HG21 THR A 85 16.226 -0.113 -6.936 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.261 -0.558 -5.509 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.578 0.529 -6.741 1.00 0.00 H new ATOM 1154 N VAL A 86 13.770 0.387 -3.088 1.00 0.00 N ATOM 1155 CA VAL A 86 13.561 -0.553 -1.999 1.00 0.00 C ATOM 1156 C VAL A 86 13.545 -1.983 -2.525 1.00 0.00 C ATOM 1157 O VAL A 86 12.733 -2.337 -3.380 1.00 0.00 O ATOM 1158 CB VAL A 86 12.246 -0.266 -1.241 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.080 -1.221 -0.064 1.00 0.00 C ATOM 1160 CG2 VAL A 86 12.206 1.183 -0.776 1.00 0.00 C ATOM 0 H VAL A 86 12.956 0.531 -3.685 1.00 0.00 H new ATOM 0 HA VAL A 86 14.390 -0.431 -1.302 1.00 0.00 H new ATOM 0 HB VAL A 86 11.412 -0.429 -1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.147 -1.000 0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.058 -2.248 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.916 -1.099 0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.273 1.369 -0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.048 1.375 -0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.268 1.844 -1.640 1.00 0.00 H new ATOM 1170 N ASP A 87 14.458 -2.791 -2.023 1.00 0.00 N ATOM 1171 CA ASP A 87 14.563 -4.180 -2.437 1.00 0.00 C ATOM 1172 C ASP A 87 14.015 -5.102 -1.357 1.00 0.00 C ATOM 1173 O ASP A 87 14.452 -5.053 -0.211 1.00 0.00 O ATOM 1174 CB ASP A 87 16.020 -4.526 -2.733 1.00 0.00 C ATOM 1175 CG ASP A 87 16.204 -5.984 -3.083 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.994 -6.344 -4.256 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.555 -6.780 -2.188 1.00 0.00 O ATOM 0 H ASP A 87 15.143 -2.508 -1.322 1.00 0.00 H new ATOM 0 HA ASP A 87 13.972 -4.320 -3.342 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.377 -3.909 -3.557 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.632 -4.283 -1.865 1.00 0.00 H new ATOM 1182 N CYS A 88 13.058 -5.936 -1.722 1.00 0.00 N ATOM 1183 CA CYS A 88 12.453 -6.860 -0.777 1.00 0.00 C ATOM 1184 C CYS A 88 13.013 -8.268 -0.948 1.00 0.00 C ATOM 1185 O CYS A 88 12.461 -9.232 -0.419 1.00 0.00 O ATOM 1186 CB CYS A 88 10.931 -6.871 -0.945 1.00 0.00 C ATOM 1187 SG CYS A 88 10.139 -5.261 -0.610 1.00 0.00 S ATOM 0 H CYS A 88 12.682 -5.993 -2.668 1.00 0.00 H new ATOM 0 HA CYS A 88 12.696 -6.520 0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.690 -7.179 -1.962 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.507 -7.620 -0.276 1.00 0.00 H new ATOM 1192 N THR A 89 14.109 -8.383 -1.687 1.00 0.00 N ATOM 1193 CA THR A 89 14.743 -9.675 -1.899 1.00 0.00 C ATOM 1194 C THR A 89 15.483 -10.100 -0.632 1.00 0.00 C ATOM 1195 O THR A 89 15.377 -11.242 -0.187 1.00 0.00 O ATOM 1196 CB THR A 89 15.724 -9.637 -3.089 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.184 -8.824 -4.140 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.990 -11.037 -3.618 1.00 0.00 C ATOM 0 H THR A 89 14.575 -7.601 -2.147 1.00 0.00 H new ATOM 0 HA THR A 89 13.962 -10.399 -2.131 1.00 0.00 H new ATOM 0 HB THR A 89 16.665 -9.211 -2.741 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.806 -8.094 -4.341 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.684 -10.983 -4.456 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.423 -11.649 -2.827 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.053 -11.484 -3.951 1.00 0.00 H new ATOM 1206 N THR A 90 16.214 -9.162 -0.047 1.00 0.00 N ATOM 1207 CA THR A 90 16.953 -9.421 1.179 1.00 0.00 C ATOM 1208 C THR A 90 16.377 -8.580 2.318 1.00 0.00 C ATOM 1209 O THR A 90 17.042 -8.320 3.322 1.00 0.00 O ATOM 1210 CB THR A 90 18.462 -9.121 1.001 1.00 0.00 C ATOM 1211 OG1 THR A 90 19.199 -9.518 2.169 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.702 -7.645 0.727 1.00 0.00 C ATOM 0 H THR A 90 16.311 -8.211 -0.404 1.00 0.00 H new ATOM 0 HA THR A 90 16.850 -10.478 1.423 1.00 0.00 H new ATOM 0 HB THR A 90 18.810 -9.696 0.143 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.762 -9.159 2.969 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.771 -7.466 0.607 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.181 -7.355 -0.185 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.327 -7.054 1.563 1.00 0.00 H new ATOM 1220 N ALA A 91 15.126 -8.175 2.159 1.00 0.00 N ATOM 1221 CA ALA A 91 14.459 -7.360 3.158 1.00 0.00 C ATOM 1222 C ALA A 91 12.997 -7.760 3.292 1.00 0.00 C ATOM 1223 O ALA A 91 12.499 -8.595 2.535 1.00 0.00 O ATOM 1224 CB ALA A 91 14.571 -5.887 2.800 1.00 0.00 C ATOM 0 H ALA A 91 14.553 -8.399 1.345 1.00 0.00 H new ATOM 0 HA ALA A 91 14.950 -7.526 4.117 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.066 -5.289 3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.622 -5.603 2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.105 -5.712 1.830 1.00 0.00 H new ATOM 1230 N ALA A 92 12.316 -7.154 4.249 1.00 0.00 N ATOM 1231 CA ALA A 92 10.914 -7.443 4.488 1.00 0.00 C ATOM 1232 C ALA A 92 10.012 -6.472 3.739 1.00 0.00 C ATOM 1233 O ALA A 92 10.129 -5.255 3.888 1.00 0.00 O ATOM 1234 CB ALA A 92 10.615 -7.398 5.977 1.00 0.00 C ATOM 0 H ALA A 92 12.715 -6.455 4.876 1.00 0.00 H new ATOM 0 HA ALA A 92 10.709 -8.446 4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.560 -7.616 6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.225 -8.140 6.493 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.845 -6.406 6.365 1.00 0.00 H new ATOM 1240 N CYS A 93 9.123 -7.016 2.926 1.00 0.00 N ATOM 1241 CA CYS A 93 8.190 -6.204 2.163 1.00 0.00 C ATOM 1242 C CYS A 93 6.874 -6.074 2.924 1.00 0.00 C ATOM 1243 O CYS A 93 6.583 -6.880 3.807 1.00 0.00 O ATOM 1244 CB CYS A 93 7.946 -6.833 0.789 1.00 0.00 C ATOM 1245 SG CYS A 93 8.151 -5.676 -0.603 1.00 0.00 S ATOM 0 H CYS A 93 9.027 -8.020 2.777 1.00 0.00 H new ATOM 0 HA CYS A 93 8.617 -5.211 2.021 1.00 0.00 H new ATOM 0 HB2 CYS A 93 8.632 -7.669 0.657 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.936 -7.242 0.762 1.00 0.00 H new ATOM 1250 N GLN A 94 6.090 -5.058 2.610 1.00 0.00 N ATOM 1251 CA GLN A 94 4.814 -4.865 3.283 1.00 0.00 C ATOM 1252 C GLN A 94 3.843 -4.116 2.381 1.00 0.00 C ATOM 1253 O GLN A 94 4.253 -3.465 1.421 1.00 0.00 O ATOM 1254 CB GLN A 94 5.003 -4.126 4.612 1.00 0.00 C ATOM 1255 CG GLN A 94 5.479 -2.694 4.472 1.00 0.00 C ATOM 1256 CD GLN A 94 5.587 -1.987 5.809 1.00 0.00 C ATOM 1257 OE1 GLN A 94 4.604 -1.458 6.331 1.00 0.00 O ATOM 1258 NE2 GLN A 94 6.783 -1.972 6.377 1.00 0.00 N ATOM 0 H GLN A 94 6.310 -4.359 1.900 1.00 0.00 H new ATOM 0 HA GLN A 94 4.392 -5.846 3.502 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.057 -4.130 5.153 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.721 -4.676 5.221 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.451 -2.684 3.979 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.790 -2.146 3.829 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.573 -2.421 5.914 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.914 -1.511 7.278 1.00 0.00 H new ATOM 1267 N VAL A 95 2.560 -4.237 2.681 1.00 0.00 N ATOM 1268 CA VAL A 95 1.527 -3.576 1.904 1.00 0.00 C ATOM 1269 C VAL A 95 0.838 -2.521 2.755 1.00 0.00 C ATOM 1270 O VAL A 95 0.432 -2.800 3.886 1.00 0.00 O ATOM 1271 CB VAL A 95 0.484 -4.586 1.383 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.466 -3.922 0.399 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.170 -5.782 0.736 1.00 0.00 C ATOM 0 H VAL A 95 2.209 -4.791 3.462 1.00 0.00 H new ATOM 0 HA VAL A 95 2.002 -3.103 1.044 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.097 -4.941 2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.193 -4.653 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.987 -3.102 0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.100 -3.534 -0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.417 -6.482 0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.780 -5.443 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.805 -6.278 1.470 1.00 0.00 H new ATOM 1283 N GLY A 96 0.716 -1.316 2.222 1.00 0.00 N ATOM 1284 CA GLY A 96 0.088 -0.252 2.967 1.00 0.00 C ATOM 1285 C GLY A 96 -1.026 0.425 2.200 1.00 0.00 C ATOM 1286 O GLY A 96 -1.050 0.394 0.967 1.00 0.00 O ATOM 0 H GLY A 96 1.040 -1.058 1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.311 -0.654 3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.840 0.490 3.236 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.951 1.024 2.938 1.00 0.00 N ATOM 1291 CA LEU A 97 -3.082 1.730 2.354 1.00 0.00 C ATOM 1292 C LEU A 97 -3.461 2.906 3.248 1.00 0.00 C ATOM 1293 O LEU A 97 -3.500 2.772 4.472 1.00 0.00 O ATOM 1294 CB LEU A 97 -4.280 0.789 2.184 1.00 0.00 C ATOM 1295 CG LEU A 97 -4.931 0.304 3.482 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -6.447 0.328 3.355 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.447 -1.093 3.835 1.00 0.00 C ATOM 0 H LEU A 97 -1.938 1.034 3.958 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.797 2.099 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.037 1.298 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.957 -0.082 1.613 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.640 0.979 4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.896 -0.019 4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.779 1.346 3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.754 -0.325 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.921 -1.419 4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.707 -1.782 3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.365 -1.081 3.967 1.00 0.00 H new ATOM 1309 N SER A 98 -3.712 4.060 2.651 1.00 0.00 N ATOM 1310 CA SER A 98 -4.081 5.244 3.412 1.00 0.00 C ATOM 1311 C SER A 98 -4.861 6.217 2.538 1.00 0.00 C ATOM 1312 O SER A 98 -4.855 6.106 1.312 1.00 0.00 O ATOM 1313 CB SER A 98 -2.831 5.924 3.977 1.00 0.00 C ATOM 1314 OG SER A 98 -2.210 5.102 4.955 1.00 0.00 O ATOM 0 H SER A 98 -3.667 4.203 1.642 1.00 0.00 H new ATOM 0 HA SER A 98 -4.717 4.937 4.242 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.128 6.132 3.170 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.101 6.883 4.419 1.00 0.00 H new ATOM 0 HG SER A 98 -2.679 4.243 5.006 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.535 7.162 3.178 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.321 8.167 2.469 1.00 0.00 C ATOM 1322 C ASP A 99 -5.406 9.222 1.845 1.00 0.00 C ATOM 1323 O ASP A 99 -4.182 9.123 1.941 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.324 8.830 3.426 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.764 10.057 4.120 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.892 9.907 5.002 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.194 11.177 3.784 1.00 0.00 O ATOM 0 H ASP A 99 -5.554 7.255 4.194 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.873 7.673 1.669 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.217 9.112 2.868 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.633 8.104 4.178 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.010 10.231 1.222 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.262 11.310 0.580 1.00 0.00 C ATOM 1334 C ALA A 100 -4.326 12.012 1.566 1.00 0.00 C ATOM 1335 O ALA A 100 -3.202 12.370 1.215 1.00 0.00 O ATOM 1336 CB ALA A 100 -6.224 12.312 -0.047 1.00 0.00 C ATOM 0 H ALA A 100 -7.023 10.324 1.148 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.644 10.870 -0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.657 13.112 -0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.838 11.809 -0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.866 12.733 0.727 1.00 0.00 H new ATOM 1342 N ALA A 101 -4.789 12.194 2.797 1.00 0.00 N ATOM 1343 CA ALA A 101 -3.990 12.848 3.826 1.00 0.00 C ATOM 1344 C ALA A 101 -2.848 11.943 4.281 1.00 0.00 C ATOM 1345 O ALA A 101 -1.703 12.383 4.415 1.00 0.00 O ATOM 1346 CB ALA A 101 -4.865 13.224 5.009 1.00 0.00 C ATOM 0 H ALA A 101 -5.714 11.898 3.107 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.560 13.755 3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.257 13.712 5.771 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.649 13.906 4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.318 12.325 5.427 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.164 10.677 4.513 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.158 9.731 4.949 1.00 0.00 C ATOM 1354 C GLY A 102 -2.568 8.992 6.207 1.00 0.00 C ATOM 1355 O GLY A 102 -1.720 8.581 7.002 1.00 0.00 O ATOM 0 H GLY A 102 -4.101 10.288 4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.971 9.011 4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.221 10.258 5.129 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.872 8.827 6.390 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.407 8.133 7.555 1.00 0.00 C ATOM 1361 C ASN A 103 -5.208 6.922 7.105 1.00 0.00 C ATOM 1362 O ASN A 103 -5.390 6.705 5.905 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.298 9.063 8.388 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.583 10.325 8.831 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.949 10.360 9.884 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.678 11.369 8.026 1.00 0.00 N ATOM 0 H ASN A 103 -4.583 9.167 5.742 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.572 7.811 8.177 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.177 9.336 7.803 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.654 8.526 9.267 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.215 12.245 8.270 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.214 11.299 7.161 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.691 6.144 8.057 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.460 4.965 7.728 1.00 0.00 C ATOM 1375 C GLY A 104 -5.934 3.734 8.432 1.00 0.00 C ATOM 1376 O GLY A 104 -5.205 3.855 9.417 1.00 0.00 O ATOM 0 H GLY A 104 -5.564 6.308 9.056 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.503 5.123 8.004 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.436 4.805 6.650 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.283 2.533 7.945 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.835 1.272 8.546 1.00 0.00 C ATOM 1382 C PRO A 105 -4.318 1.116 8.503 1.00 0.00 C ATOM 1383 O PRO A 105 -3.639 1.736 7.678 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.505 0.197 7.680 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.624 0.901 6.991 1.00 0.00 C ATOM 1386 CD PRO A 105 -7.142 2.304 6.773 1.00 0.00 C ATOM 0 HA PRO A 105 -6.101 1.212 9.601 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.803 -0.226 6.962 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.873 -0.628 8.289 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.867 0.418 6.044 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.529 0.887 7.598 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.588 2.402 5.839 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.968 3.014 6.730 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.794 0.289 9.395 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.361 0.044 9.471 1.00 0.00 C ATOM 1396 C GLU A 106 -1.896 -0.866 8.341 1.00 0.00 C ATOM 1397 O GLU A 106 -2.692 -1.606 7.754 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.001 -0.584 10.815 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.918 0.421 11.948 1.00 0.00 C ATOM 1400 CD GLU A 106 -1.318 -0.174 13.201 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.255 -0.823 13.102 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -1.905 0.006 14.289 1.00 0.00 O ATOM 0 H GLU A 106 -4.344 -0.227 10.081 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.855 1.004 9.372 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.745 -1.341 11.065 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.043 -1.096 10.723 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.318 1.274 11.631 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.916 0.798 12.170 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.606 -0.804 8.045 1.00 0.00 N ATOM 1410 CA GLY A 107 -0.043 -1.628 6.997 1.00 0.00 C ATOM 1411 C GLY A 107 0.317 -3.008 7.508 1.00 0.00 C ATOM 1412 O GLY A 107 0.615 -3.178 8.694 1.00 0.00 O ATOM 0 H GLY A 107 0.063 -0.194 8.515 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.758 -1.717 6.179 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.846 -1.146 6.592 1.00 0.00 H new ATOM 1416 N VAL A 108 0.285 -3.992 6.624 1.00 0.00 N ATOM 1417 CA VAL A 108 0.600 -5.362 6.995 1.00 0.00 C ATOM 1418 C VAL A 108 1.879 -5.820 6.308 1.00 0.00 C ATOM 1419 O VAL A 108 2.004 -5.740 5.081 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.549 -6.325 6.622 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.214 -7.754 7.018 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.848 -5.887 7.278 1.00 0.00 C ATOM 0 H VAL A 108 0.043 -3.867 5.641 1.00 0.00 H new ATOM 0 HA VAL A 108 0.737 -5.383 8.076 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.676 -6.292 5.540 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.040 -8.411 6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.690 -8.073 6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.052 -7.805 8.095 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.645 -6.578 7.003 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.726 -5.886 8.361 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.106 -4.883 6.941 1.00 0.00 H new ATOM 1432 N ALA A 109 2.830 -6.289 7.104 1.00 0.00 N ATOM 1433 CA ALA A 109 4.098 -6.762 6.578 1.00 0.00 C ATOM 1434 C ALA A 109 3.957 -8.175 6.025 1.00 0.00 C ATOM 1435 O ALA A 109 3.296 -9.024 6.623 1.00 0.00 O ATOM 1436 CB ALA A 109 5.167 -6.712 7.657 1.00 0.00 C ATOM 0 H ALA A 109 2.745 -6.351 8.119 1.00 0.00 H new ATOM 0 HA ALA A 109 4.400 -6.107 5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.113 -7.069 7.249 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.286 -5.686 8.004 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.870 -7.345 8.493 1.00 0.00 H new ATOM 1442 N ILE A 110 4.581 -8.426 4.885 1.00 0.00 N ATOM 1443 CA ILE A 110 4.519 -9.733 4.251 1.00 0.00 C ATOM 1444 C ILE A 110 5.925 -10.278 4.018 1.00 0.00 C ATOM 1445 O ILE A 110 6.918 -9.595 4.274 1.00 0.00 O ATOM 1446 CB ILE A 110 3.763 -9.686 2.902 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.485 -8.762 1.918 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.326 -9.222 3.108 1.00 0.00 C ATOM 1449 CD1 ILE A 110 4.135 -9.022 0.470 1.00 0.00 C ATOM 0 H ILE A 110 5.138 -7.738 4.378 1.00 0.00 H new ATOM 0 HA ILE A 110 3.973 -10.390 4.927 1.00 0.00 H new ATOM 0 HB ILE A 110 3.743 -10.693 2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.243 -7.727 2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.561 -8.877 2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.811 -9.196 2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.813 -9.913 3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.325 -8.225 3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.685 -8.329 -0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.403 -10.046 0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.065 -8.879 0.323 1.00 0.00 H new ATOM 1461 N SER A 111 6.006 -11.512 3.553 1.00 0.00 N ATOM 1462 CA SER A 111 7.287 -12.148 3.275 1.00 0.00 C ATOM 1463 C SER A 111 7.108 -13.246 2.240 1.00 0.00 C ATOM 1464 O SER A 111 6.112 -13.971 2.268 1.00 0.00 O ATOM 1465 CB SER A 111 7.888 -12.735 4.556 1.00 0.00 C ATOM 1466 OG SER A 111 8.118 -11.726 5.523 1.00 0.00 O ATOM 0 H SER A 111 5.195 -12.099 3.358 1.00 0.00 H new ATOM 0 HA SER A 111 7.969 -11.393 2.885 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.214 -13.488 4.965 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.826 -13.240 4.323 1.00 0.00 H new ATOM 0 HG SER A 111 7.867 -10.854 5.152 1.00 0.00 H new ATOM 1472 N PHE A 112 8.053 -13.353 1.320 1.00 0.00 N ATOM 1473 CA PHE A 112 7.993 -14.372 0.284 1.00 0.00 C ATOM 1474 C PHE A 112 8.618 -15.667 0.794 1.00 0.00 C ATOM 1475 O PHE A 112 9.270 -15.676 1.841 1.00 0.00 O ATOM 1476 CB PHE A 112 8.716 -13.895 -0.980 1.00 0.00 C ATOM 1477 CG PHE A 112 8.291 -12.528 -1.447 1.00 0.00 C ATOM 1478 CD1 PHE A 112 6.959 -12.251 -1.714 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.228 -11.522 -1.623 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.571 -10.998 -2.146 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.845 -10.265 -2.053 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.515 -10.004 -2.313 1.00 0.00 C ATOM 0 H PHE A 112 8.871 -12.746 1.269 1.00 0.00 H new ATOM 0 HA PHE A 112 6.948 -14.557 0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.789 -13.886 -0.791 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.539 -14.613 -1.781 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.216 -13.024 -1.583 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.270 -11.722 -1.422 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.531 -10.796 -2.353 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.585 -9.489 -2.185 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.212 -9.023 -2.647 1.00 0.00 H new ATOM 1492 N ASN A 113 8.427 -16.754 0.062 1.00 0.00 N ATOM 1493 CA ASN A 113 8.985 -18.039 0.461 1.00 0.00 C ATOM 1494 C ASN A 113 10.366 -18.218 -0.148 1.00 0.00 C ATOM 1495 O ASN A 113 11.284 -18.650 0.576 1.00 0.00 O ATOM 1496 CB ASN A 113 8.067 -19.205 0.064 1.00 0.00 C ATOM 1497 CG ASN A 113 7.919 -19.375 -1.438 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.705 -20.071 -2.080 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.898 -18.751 -2.004 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.537 -17.888 -1.341 1.00 0.00 O ATOM 0 H ASN A 113 7.893 -16.774 -0.807 1.00 0.00 H new ATOM 0 HA ASN A 113 9.069 -18.045 1.548 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.461 -20.128 0.489 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.082 -19.047 0.503 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.740 -18.838 -3.008 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.269 -18.183 -1.436 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 2.941 6.622 3.489 1.00 20.00 O HETATM 1509 C8A FLN A 114 3.497 7.779 2.959 1.00 20.00 C HETATM 1510 C4A FLN A 114 3.946 7.845 1.628 1.00 20.00 C HETATM 1511 C4 FLN A 114 3.814 6.636 0.767 1.00 20.00 C HETATM 1512 C3 FLN A 114 3.221 5.456 1.394 1.00 20.00 C HETATM 1513 C2 FLN A 114 2.816 5.486 2.693 1.00 20.00 C HETATM 1514 C1' FLN A 114 2.185 4.418 3.545 1.00 20.00 C HETATM 1515 C2' FLN A 114 0.818 4.150 3.451 1.00 20.00 C HETATM 1516 C3' FLN A 114 0.250 3.160 4.254 1.00 20.00 C HETATM 1517 C4' FLN A 114 0.994 2.398 5.165 1.00 20.00 C HETATM 1518 C5' FLN A 114 2.360 2.700 5.227 1.00 20.00 C HETATM 1519 C6' FLN A 114 2.956 3.681 4.442 1.00 20.00 C HETATM 1520 O4 FLN A 114 4.195 6.641 -0.410 1.00 20.00 O HETATM 1521 C5 FLN A 114 4.504 9.056 1.147 1.00 20.00 C HETATM 1522 C6 FLN A 114 4.599 10.168 2.002 1.00 20.00 C HETATM 1523 C7 FLN A 114 4.140 10.061 3.335 1.00 20.00 C HETATM 1524 C8 FLN A 114 3.589 8.872 3.814 1.00 20.00 C HETATM 0 H8 FLN A 114 3.236 8.801 4.843 1.00 20.00 H new HETATM 0 H7 FLN A 114 4.218 10.922 3.999 1.00 20.00 H new HETATM 0 H6' FLN A 114 4.025 3.873 4.528 1.00 20.00 H new HETATM 0 H6 FLN A 114 5.023 11.105 1.640 1.00 20.00 H new HETATM 0 H5' FLN A 114 2.985 2.140 5.923 1.00 20.00 H new HETATM 0 H5 FLN A 114 4.858 9.125 0.118 1.00 20.00 H new HETATM 0 H4' FLN A 114 0.540 1.623 5.783 1.00 20.00 H new HETATM 0 H3' FLN A 114 -0.820 2.971 4.169 1.00 20.00 H new HETATM 0 H3 FLN A 114 3.102 4.541 0.814 1.00 20.00 H new HETATM 0 H2' FLN A 114 0.197 4.712 2.753 1.00 20.00 H new