USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, 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 73 THR OG1 : rot -107:sc= 0.0299 USER MOD Set 1.2: A 77 ASN : amide:sc= -0.27 X(o=-0.24,f=-0.23) USER MOD Single : A 5 LYS NZ :NH3+ -161:sc= -3.7! (180deg=-4.83!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -82:sc= 0.338 USER MOD Single : A 16 THR OG1 : rot 86:sc= 0.749 USER MOD Single : A 21 SER OG : rot 80:sc= 1.11 USER MOD Single : A 22 SER OG : rot -110:sc= 0.824 USER MOD Single : A 24 THR OG1 : rot 64:sc= -0.626 USER MOD Single : A 37 SER OG : rot -89:sc= 0.708 USER MOD Single : A 40 THR OG1 : rot 157:sc= 1.72 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -0:sc= -0.387 USER MOD Single : A 60 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 63 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ -157:sc= -0.0706 (180deg=-0.664) USER MOD Single : A 67 GLN : amide:sc= -0.173 K(o=-0.17,f=-3.5!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -105:sc= 0.162 USER MOD Single : A 75 LYS NZ :NH3+ 155:sc= -0.119 (180deg=-0.792) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -135:sc= -0.351 (180deg=-1.78!) USER MOD ----------------------------------------------------------------- ATOM 54 N PRO A 4 0.059 -2.943 -0.742 1.00 0.00 N ATOM 55 CA PRO A 4 0.052 -1.861 0.286 1.00 0.00 C ATOM 56 C PRO A 4 1.326 -1.886 1.139 1.00 0.00 C ATOM 57 O PRO A 4 1.362 -2.497 2.207 1.00 0.00 O ATOM 58 CB PRO A 4 -1.214 -2.153 1.139 1.00 0.00 C ATOM 59 CG PRO A 4 -1.951 -3.253 0.424 1.00 0.00 C ATOM 60 CD PRO A 4 -0.905 -3.996 -0.408 1.00 0.00 C ATOM 0 HA PRO A 4 0.030 -0.867 -0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -0.942 -2.458 2.149 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -1.836 -1.263 1.232 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -2.432 -3.925 1.135 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.737 -2.846 -0.212 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.440 -4.804 0.156 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.342 -4.441 -1.302 1.00 0.00 H new ATOM 68 N LYS A 5 2.368 -1.221 0.661 1.00 0.00 N ATOM 69 CA LYS A 5 3.626 -1.179 1.390 1.00 0.00 C ATOM 70 C LYS A 5 3.518 -0.265 2.606 1.00 0.00 C ATOM 71 O LYS A 5 4.421 -0.224 3.439 1.00 0.00 O ATOM 72 CB LYS A 5 4.742 -0.684 0.469 1.00 0.00 C ATOM 73 CG LYS A 5 4.996 -1.718 -0.628 1.00 0.00 C ATOM 74 CD LYS A 5 6.108 -1.220 -1.551 1.00 0.00 C ATOM 75 CE LYS A 5 6.374 -2.260 -2.639 1.00 0.00 C ATOM 76 NZ LYS A 5 6.736 -3.554 -2.000 1.00 0.00 N ATOM 0 H LYS A 5 2.368 -0.708 -0.220 1.00 0.00 H new ATOM 0 HA LYS A 5 3.858 -2.187 1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.464 0.272 0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.653 -0.516 1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.278 -2.673 -0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.084 -1.889 -1.200 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.821 -0.271 -2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.017 -1.038 -0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.490 -2.384 -3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.181 -1.924 -3.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.221 -4.160 -2.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.367 -3.378 -1.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.873 -4.030 -1.668 1.00 0.00 H new ATOM 90 N THR A 6 2.411 0.475 2.699 1.00 0.00 N ATOM 91 CA THR A 6 2.198 1.401 3.820 1.00 0.00 C ATOM 92 C THR A 6 1.008 0.971 4.677 1.00 0.00 C ATOM 93 O THR A 6 1.001 1.177 5.890 1.00 0.00 O ATOM 94 CB THR A 6 1.937 2.808 3.281 1.00 0.00 C ATOM 95 OG1 THR A 6 1.548 3.657 4.352 1.00 0.00 O ATOM 96 CG2 THR A 6 0.821 2.760 2.236 1.00 0.00 C ATOM 0 H THR A 6 1.652 0.454 2.018 1.00 0.00 H new ATOM 0 HA THR A 6 3.095 1.391 4.439 1.00 0.00 H new ATOM 0 HB THR A 6 2.846 3.194 2.819 1.00 0.00 H new ATOM 0 HG1 THR A 6 1.382 4.560 4.010 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.637 3.764 1.854 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.119 2.108 1.415 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.090 2.374 2.694 1.00 0.00 H new ATOM 104 N LEU A 7 0.004 0.372 4.043 1.00 0.00 N ATOM 105 CA LEU A 7 -1.182 -0.079 4.766 1.00 0.00 C ATOM 106 C LEU A 7 -0.902 -1.390 5.506 1.00 0.00 C ATOM 107 O LEU A 7 -1.145 -1.502 6.704 1.00 0.00 O ATOM 108 CB LEU A 7 -2.363 -0.259 3.779 1.00 0.00 C ATOM 109 CG LEU A 7 -3.683 0.178 4.432 1.00 0.00 C ATOM 110 CD1 LEU A 7 -4.820 0.084 3.413 1.00 0.00 C ATOM 111 CD2 LEU A 7 -3.990 -0.734 5.621 1.00 0.00 C ATOM 0 H LEU A 7 -0.013 0.189 3.040 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.447 0.677 5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.184 0.328 2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.431 -1.302 3.471 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.590 1.208 4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.754 0.395 3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.604 0.735 2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.913 -0.945 3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.927 -0.424 6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.079 -1.764 5.276 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.183 -0.664 6.351 1.00 0.00 H new ATOM 123 N LEU A 8 -0.402 -2.379 4.774 1.00 0.00 N ATOM 124 CA LEU A 8 -0.105 -3.682 5.365 1.00 0.00 C ATOM 125 C LEU A 8 1.064 -3.587 6.350 1.00 0.00 C ATOM 126 O LEU A 8 1.076 -4.263 7.380 1.00 0.00 O ATOM 127 CB LEU A 8 0.211 -4.716 4.253 1.00 0.00 C ATOM 128 CG LEU A 8 -0.487 -6.067 4.544 1.00 0.00 C ATOM 129 CD1 LEU A 8 -0.068 -6.579 5.940 1.00 0.00 C ATOM 130 CD2 LEU A 8 -2.028 -5.894 4.479 1.00 0.00 C ATOM 0 H LEU A 8 -0.194 -2.307 3.778 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.985 -4.013 5.916 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.119 -4.331 3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.289 -4.866 4.185 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.185 -6.796 3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.561 -7.530 6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.013 -6.718 5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.360 -5.851 6.697 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.510 -6.849 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.343 -5.161 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.314 -5.550 3.485 1.00 0.00 H new ATOM 142 N ARG A 9 2.039 -2.751 6.026 1.00 0.00 N ATOM 143 CA ARG A 9 3.208 -2.583 6.882 1.00 0.00 C ATOM 144 C ARG A 9 2.787 -2.165 8.295 1.00 0.00 C ATOM 145 O ARG A 9 3.563 -2.294 9.241 1.00 0.00 O ATOM 146 CB ARG A 9 4.163 -1.528 6.270 1.00 0.00 C ATOM 147 CG ARG A 9 5.252 -2.223 5.420 1.00 0.00 C ATOM 148 CD ARG A 9 6.238 -2.998 6.330 1.00 0.00 C ATOM 149 NE ARG A 9 5.986 -4.445 6.232 1.00 0.00 N ATOM 150 CZ ARG A 9 6.727 -5.239 5.467 1.00 0.00 C ATOM 151 NH1 ARG A 9 7.706 -4.740 4.762 1.00 0.00 N ATOM 152 NH2 ARG A 9 6.475 -6.518 5.419 1.00 0.00 N ATOM 0 H ARG A 9 2.046 -2.180 5.181 1.00 0.00 H new ATOM 0 HA ARG A 9 3.731 -3.537 6.950 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.598 -0.831 5.651 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.629 -0.944 7.064 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.787 -2.908 4.712 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.795 -1.480 4.835 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.265 -2.779 6.036 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.125 -2.671 7.364 1.00 0.00 H new ATOM 0 HE ARG A 9 5.219 -4.851 6.768 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.902 -3.740 4.798 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.274 -5.350 4.175 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.709 -6.908 5.969 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.044 -7.128 4.832 1.00 0.00 H new ATOM 166 N VAL A 10 1.565 -1.658 8.426 1.00 0.00 N ATOM 167 CA VAL A 10 1.068 -1.218 9.725 1.00 0.00 C ATOM 168 C VAL A 10 1.119 -2.361 10.737 1.00 0.00 C ATOM 169 O VAL A 10 1.472 -2.157 11.894 1.00 0.00 O ATOM 170 CB VAL A 10 -0.380 -0.722 9.593 1.00 0.00 C ATOM 171 CG1 VAL A 10 -1.327 -1.916 9.372 1.00 0.00 C ATOM 172 CG2 VAL A 10 -0.779 0.023 10.871 1.00 0.00 C ATOM 0 H VAL A 10 0.906 -1.542 7.656 1.00 0.00 H new ATOM 0 HA VAL A 10 1.704 -0.405 10.076 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.454 -0.049 8.739 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.352 -1.556 9.279 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.043 -2.441 8.460 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.257 -2.597 10.220 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.806 0.376 10.781 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.701 -0.651 11.724 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.114 0.874 11.019 1.00 0.00 H new ATOM 182 N SER A 11 0.762 -3.560 10.297 1.00 0.00 N ATOM 183 CA SER A 11 0.766 -4.719 11.186 1.00 0.00 C ATOM 184 C SER A 11 2.082 -4.810 11.955 1.00 0.00 C ATOM 185 O SER A 11 2.077 -5.015 13.169 1.00 0.00 O ATOM 186 CB SER A 11 0.580 -5.996 10.369 1.00 0.00 C ATOM 187 OG SER A 11 -0.738 -6.038 9.840 1.00 0.00 O ATOM 0 H SER A 11 0.468 -3.757 9.340 1.00 0.00 H new ATOM 0 HA SER A 11 -0.053 -4.605 11.897 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.309 -6.030 9.559 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.759 -6.870 10.996 1.00 0.00 H new ATOM 0 HG SER A 11 -0.854 -6.857 9.315 1.00 0.00 H new ATOM 193 N ILE A 12 3.199 -4.651 11.260 1.00 0.00 N ATOM 194 CA ILE A 12 4.499 -4.709 11.919 1.00 0.00 C ATOM 195 C ILE A 12 4.665 -3.521 12.861 1.00 0.00 C ATOM 196 O ILE A 12 5.122 -3.676 13.989 1.00 0.00 O ATOM 197 CB ILE A 12 5.620 -4.709 10.875 1.00 0.00 C ATOM 198 CG1 ILE A 12 5.556 -6.006 10.054 1.00 0.00 C ATOM 199 CG2 ILE A 12 6.989 -4.618 11.563 1.00 0.00 C ATOM 200 CD1 ILE A 12 6.537 -5.936 8.874 1.00 0.00 C ATOM 0 H ILE A 12 3.234 -4.483 10.255 1.00 0.00 H new ATOM 0 HA ILE A 12 4.556 -5.630 12.499 1.00 0.00 H new ATOM 0 HB ILE A 12 5.490 -3.847 10.221 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.799 -6.859 10.688 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.542 -6.162 9.685 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.776 -4.619 10.809 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.044 -3.697 12.144 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.121 -5.473 12.226 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.482 -6.861 8.300 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.275 -5.095 8.232 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.551 -5.803 9.251 1.00 0.00 H new ATOM 212 N ILE A 13 4.300 -2.335 12.390 1.00 0.00 N ATOM 213 CA ILE A 13 4.431 -1.126 13.202 1.00 0.00 C ATOM 214 C ILE A 13 3.542 -1.200 14.446 1.00 0.00 C ATOM 215 O ILE A 13 3.973 -0.860 15.548 1.00 0.00 O ATOM 216 CB ILE A 13 4.042 0.100 12.370 1.00 0.00 C ATOM 217 CG1 ILE A 13 5.066 0.298 11.248 1.00 0.00 C ATOM 218 CG2 ILE A 13 4.020 1.346 13.265 1.00 0.00 C ATOM 219 CD1 ILE A 13 4.550 1.354 10.266 1.00 0.00 C ATOM 0 H ILE A 13 3.914 -2.182 11.458 1.00 0.00 H new ATOM 0 HA ILE A 13 5.469 -1.042 13.523 1.00 0.00 H new ATOM 0 HB ILE A 13 3.052 -0.054 11.940 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.023 0.611 11.666 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.238 -0.644 10.728 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.743 2.216 12.670 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.293 1.207 14.065 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.009 1.501 13.697 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.278 1.495 9.468 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.603 1.022 9.839 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.400 2.297 10.791 1.00 0.00 H new ATOM 231 N GLY A 14 2.304 -1.640 14.260 1.00 0.00 N ATOM 232 CA GLY A 14 1.364 -1.749 15.369 1.00 0.00 C ATOM 233 C GLY A 14 1.808 -2.819 16.358 1.00 0.00 C ATOM 234 O GLY A 14 1.727 -2.628 17.571 1.00 0.00 O ATOM 0 H GLY A 14 1.928 -1.926 13.356 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.284 -0.789 15.878 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.372 -1.991 14.987 1.00 0.00 H new ATOM 238 N THR A 15 2.277 -3.941 15.828 1.00 0.00 N ATOM 239 CA THR A 15 2.735 -5.038 16.668 1.00 0.00 C ATOM 240 C THR A 15 4.006 -4.646 17.414 1.00 0.00 C ATOM 241 O THR A 15 4.377 -5.279 18.405 1.00 0.00 O ATOM 242 CB THR A 15 3.000 -6.280 15.814 1.00 0.00 C ATOM 243 OG1 THR A 15 3.833 -5.930 14.719 1.00 0.00 O ATOM 244 CG2 THR A 15 1.673 -6.846 15.292 1.00 0.00 C ATOM 0 H THR A 15 2.350 -4.114 14.825 1.00 0.00 H new ATOM 0 HA THR A 15 1.955 -5.262 17.396 1.00 0.00 H new ATOM 0 HB THR A 15 3.496 -7.037 16.422 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.287 -5.546 14.002 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.868 -7.730 14.685 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.037 -7.118 16.134 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.170 -6.093 14.685 1.00 0.00 H new ATOM 252 N THR A 16 4.671 -3.599 16.935 1.00 0.00 N ATOM 253 CA THR A 16 5.896 -3.119 17.570 1.00 0.00 C ATOM 254 C THR A 16 5.565 -2.276 18.798 1.00 0.00 C ATOM 255 O THR A 16 6.288 -2.293 19.790 1.00 0.00 O ATOM 256 CB THR A 16 6.726 -2.294 16.578 1.00 0.00 C ATOM 257 OG1 THR A 16 6.884 -3.028 15.376 1.00 0.00 O ATOM 258 CG2 THR A 16 8.104 -1.993 17.173 1.00 0.00 C ATOM 0 H THR A 16 4.385 -3.068 16.113 1.00 0.00 H new ATOM 0 HA THR A 16 6.480 -3.984 17.884 1.00 0.00 H new ATOM 0 HB THR A 16 6.212 -1.355 16.373 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.109 -2.875 14.795 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.687 -1.407 16.462 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.986 -1.429 18.098 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.622 -2.929 17.383 1.00 0.00 H new ATOM 266 N LEU A 17 4.472 -1.524 18.717 1.00 0.00 N ATOM 267 CA LEU A 17 4.062 -0.674 19.828 1.00 0.00 C ATOM 268 C LEU A 17 3.654 -1.515 21.033 1.00 0.00 C ATOM 269 O LEU A 17 4.030 -1.220 22.165 1.00 0.00 O ATOM 270 CB LEU A 17 2.887 0.225 19.406 1.00 0.00 C ATOM 271 CG LEU A 17 2.364 1.047 20.623 1.00 0.00 C ATOM 272 CD1 LEU A 17 2.002 2.473 20.184 1.00 0.00 C ATOM 273 CD2 LEU A 17 1.107 0.380 21.217 1.00 0.00 C ATOM 0 H LEU A 17 3.860 -1.486 17.902 1.00 0.00 H new ATOM 0 HA LEU A 17 4.912 -0.051 20.107 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.205 0.901 18.613 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.081 -0.386 18.999 1.00 0.00 H new ATOM 0 HG LEU A 17 3.153 1.081 21.374 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.638 3.037 21.043 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.886 2.963 19.776 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.225 2.433 19.421 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.752 0.964 22.066 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.327 0.333 20.457 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.353 -0.629 21.548 1.00 0.00 H new ATOM 285 N VAL A 18 2.876 -2.563 20.775 1.00 0.00 N ATOM 286 CA VAL A 18 2.412 -3.441 21.845 1.00 0.00 C ATOM 287 C VAL A 18 3.546 -4.324 22.353 1.00 0.00 C ATOM 288 O VAL A 18 3.687 -4.544 23.557 1.00 0.00 O ATOM 289 CB VAL A 18 1.269 -4.319 21.345 1.00 0.00 C ATOM 290 CG1 VAL A 18 0.152 -3.434 20.789 1.00 0.00 C ATOM 291 CG2 VAL A 18 1.787 -5.242 20.242 1.00 0.00 C ATOM 0 H VAL A 18 2.556 -2.823 19.842 1.00 0.00 H new ATOM 0 HA VAL A 18 2.059 -2.817 22.666 1.00 0.00 H new ATOM 0 HB VAL A 18 0.880 -4.918 22.169 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.665 -4.061 20.432 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.214 -2.774 21.575 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.538 -2.836 19.964 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.973 -5.871 19.882 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.174 -4.643 19.418 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.584 -5.871 20.639 1.00 0.00 H new ATOM 301 N ALA A 19 4.348 -4.833 21.424 1.00 0.00 N ATOM 302 CA ALA A 19 5.461 -5.700 21.784 1.00 0.00 C ATOM 303 C ALA A 19 6.389 -5.008 22.778 1.00 0.00 C ATOM 304 O ALA A 19 6.570 -5.466 23.904 1.00 0.00 O ATOM 305 CB ALA A 19 6.250 -6.076 20.520 1.00 0.00 C ATOM 0 H ALA A 19 4.249 -4.661 20.424 1.00 0.00 H new ATOM 0 HA ALA A 19 5.061 -6.600 22.252 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.083 -6.725 20.791 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.594 -6.599 19.824 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.633 -5.171 20.048 1.00 0.00 H new ATOM 311 N LEU A 20 6.977 -3.902 22.343 1.00 0.00 N ATOM 312 CA LEU A 20 7.897 -3.150 23.185 1.00 0.00 C ATOM 313 C LEU A 20 7.192 -2.615 24.431 1.00 0.00 C ATOM 314 O LEU A 20 7.767 -2.618 25.522 1.00 0.00 O ATOM 315 CB LEU A 20 8.505 -1.984 22.386 1.00 0.00 C ATOM 316 CG LEU A 20 9.652 -2.485 21.481 1.00 0.00 C ATOM 317 CD1 LEU A 20 10.877 -2.876 22.327 1.00 0.00 C ATOM 318 CD2 LEU A 20 9.178 -3.704 20.678 1.00 0.00 C ATOM 0 H LEU A 20 6.834 -3.506 21.414 1.00 0.00 H new ATOM 0 HA LEU A 20 8.692 -3.823 23.506 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.734 -1.512 21.777 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.880 -1.224 23.071 1.00 0.00 H new ATOM 0 HG LEU A 20 9.936 -1.681 20.801 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.675 -3.226 21.672 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.223 -2.008 22.888 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.602 -3.671 23.021 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.988 -4.057 20.040 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.884 -4.499 21.363 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.325 -3.423 20.060 1.00 0.00 H new ATOM 330 N SER A 21 5.958 -2.157 24.274 1.00 0.00 N ATOM 331 CA SER A 21 5.206 -1.624 25.404 1.00 0.00 C ATOM 332 C SER A 21 5.043 -2.682 26.489 1.00 0.00 C ATOM 333 O SER A 21 4.943 -2.367 27.666 1.00 0.00 O ATOM 334 CB SER A 21 3.833 -1.151 24.934 1.00 0.00 C ATOM 335 OG SER A 21 3.984 0.043 24.177 1.00 0.00 O ATOM 0 H SER A 21 5.459 -2.143 23.385 1.00 0.00 H new ATOM 0 HA SER A 21 5.758 -0.781 25.821 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.357 -1.922 24.328 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.183 -0.973 25.791 1.00 0.00 H new ATOM 0 HG SER A 21 4.275 -0.180 23.268 1.00 0.00 H new ATOM 341 N SER A 22 5.012 -3.943 26.077 1.00 0.00 N ATOM 342 CA SER A 22 4.849 -5.042 27.027 1.00 0.00 C ATOM 343 C SER A 22 5.862 -4.936 28.174 1.00 0.00 C ATOM 344 O SER A 22 5.842 -5.746 29.101 1.00 0.00 O ATOM 345 CB SER A 22 5.019 -6.383 26.315 1.00 0.00 C ATOM 346 OG SER A 22 6.388 -6.566 25.979 1.00 0.00 O ATOM 0 H SER A 22 5.096 -4.231 25.102 1.00 0.00 H new ATOM 0 HA SER A 22 3.845 -4.977 27.446 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.679 -7.195 26.958 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.405 -6.410 25.415 1.00 0.00 H new ATOM 0 HG SER A 22 6.498 -6.500 25.007 1.00 0.00 H new ATOM 352 N PHE A 23 6.751 -3.942 28.101 1.00 0.00 N ATOM 353 CA PHE A 23 7.765 -3.738 29.141 1.00 0.00 C ATOM 354 C PHE A 23 7.333 -2.635 30.112 1.00 0.00 C ATOM 355 O PHE A 23 7.765 -2.614 31.258 1.00 0.00 O ATOM 356 CB PHE A 23 9.113 -3.374 28.487 1.00 0.00 C ATOM 357 CG PHE A 23 9.817 -4.633 28.026 1.00 0.00 C ATOM 358 CD1 PHE A 23 10.385 -5.492 28.974 1.00 0.00 C ATOM 359 CD2 PHE A 23 9.901 -4.940 26.663 1.00 0.00 C ATOM 360 CE1 PHE A 23 11.037 -6.660 28.559 1.00 0.00 C ATOM 361 CE2 PHE A 23 10.553 -6.107 26.247 1.00 0.00 C ATOM 362 CZ PHE A 23 11.121 -6.967 27.196 1.00 0.00 C ATOM 0 H PHE A 23 6.790 -3.268 27.336 1.00 0.00 H new ATOM 0 HA PHE A 23 7.877 -4.663 29.706 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.948 -2.708 27.640 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.739 -2.836 29.199 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.320 -5.254 30.025 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.463 -4.277 25.932 1.00 0.00 H new ATOM 0 HE1 PHE A 23 11.475 -7.323 29.290 1.00 0.00 H new ATOM 0 HE2 PHE A 23 10.618 -6.344 25.195 1.00 0.00 H new ATOM 0 HZ PHE A 23 11.624 -7.867 26.876 1.00 0.00 H new ATOM 372 N THR A 24 6.488 -1.719 29.639 1.00 0.00 N ATOM 373 CA THR A 24 6.011 -0.614 30.479 1.00 0.00 C ATOM 374 C THR A 24 5.246 -1.140 31.716 1.00 0.00 C ATOM 375 O THR A 24 5.488 -0.687 32.836 1.00 0.00 O ATOM 376 CB THR A 24 5.094 0.333 29.646 1.00 0.00 C ATOM 377 OG1 THR A 24 5.024 -0.137 28.310 1.00 0.00 O ATOM 378 CG2 THR A 24 5.641 1.772 29.636 1.00 0.00 C ATOM 0 H THR A 24 6.121 -1.717 28.687 1.00 0.00 H new ATOM 0 HA THR A 24 6.880 -0.057 30.831 1.00 0.00 H new ATOM 0 HB THR A 24 4.105 0.337 30.104 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.599 -1.020 28.296 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.980 2.408 29.047 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.692 2.149 30.658 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.638 1.779 29.196 1.00 0.00 H new ATOM 386 N PRO A 25 4.322 -2.058 31.529 1.00 0.00 N ATOM 387 CA PRO A 25 3.497 -2.619 32.644 1.00 0.00 C ATOM 388 C PRO A 25 4.334 -2.988 33.875 1.00 0.00 C ATOM 389 O PRO A 25 3.790 -3.273 34.942 1.00 0.00 O ATOM 390 CB PRO A 25 2.841 -3.864 32.023 1.00 0.00 C ATOM 391 CG PRO A 25 2.795 -3.596 30.550 1.00 0.00 C ATOM 392 CD PRO A 25 3.971 -2.666 30.234 1.00 0.00 C ATOM 0 HA PRO A 25 2.775 -1.892 33.017 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.418 -4.762 32.241 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.840 -4.023 32.425 1.00 0.00 H new ATOM 0 HG2 PRO A 25 2.874 -4.525 29.985 1.00 0.00 H new ATOM 0 HG3 PRO A 25 1.849 -3.132 30.271 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.812 -3.219 29.815 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.691 -1.908 29.503 1.00 0.00 H new ATOM 400 N VAL A 26 5.655 -2.996 33.712 1.00 0.00 N ATOM 401 CA VAL A 26 6.556 -3.345 34.809 1.00 0.00 C ATOM 402 C VAL A 26 6.595 -2.235 35.859 1.00 0.00 C ATOM 403 O VAL A 26 6.609 -2.498 37.053 1.00 0.00 O ATOM 404 CB VAL A 26 7.976 -3.594 34.263 1.00 0.00 C ATOM 405 CG1 VAL A 26 7.925 -4.604 33.093 1.00 0.00 C ATOM 406 CG2 VAL A 26 8.587 -2.261 33.785 1.00 0.00 C ATOM 0 H VAL A 26 6.124 -2.766 32.836 1.00 0.00 H new ATOM 0 HA VAL A 26 6.182 -4.254 35.281 1.00 0.00 H new ATOM 0 HB VAL A 26 8.597 -4.009 35.056 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.933 -4.773 32.714 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.506 -5.547 33.444 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.300 -4.205 32.295 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.591 -2.438 33.399 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.965 -1.838 32.996 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.638 -1.563 34.621 1.00 0.00 H new ATOM 416 N LEU A 27 6.627 -0.994 35.385 1.00 0.00 N ATOM 417 CA LEU A 27 6.688 0.164 36.279 1.00 0.00 C ATOM 418 C LEU A 27 5.494 0.185 37.230 1.00 0.00 C ATOM 419 O LEU A 27 5.595 0.654 38.364 1.00 0.00 O ATOM 420 CB LEU A 27 6.714 1.456 35.459 1.00 0.00 C ATOM 421 CG LEU A 27 8.037 1.553 34.680 1.00 0.00 C ATOM 422 CD1 LEU A 27 7.929 2.669 33.638 1.00 0.00 C ATOM 423 CD2 LEU A 27 9.211 1.858 35.641 1.00 0.00 C ATOM 0 H LEU A 27 6.612 -0.761 34.392 1.00 0.00 H new ATOM 0 HA LEU A 27 7.600 0.088 36.871 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.872 1.475 34.767 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.605 2.318 36.118 1.00 0.00 H new ATOM 0 HG LEU A 27 8.227 0.600 34.187 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.865 2.741 33.084 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.115 2.445 32.948 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.730 3.616 34.139 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.139 1.923 35.073 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.029 2.805 36.149 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.293 1.061 36.380 1.00 0.00 H new ATOM 435 N VAL A 28 4.371 -0.337 36.767 1.00 0.00 N ATOM 436 CA VAL A 28 3.157 -0.390 37.576 1.00 0.00 C ATOM 437 C VAL A 28 3.410 -1.149 38.877 1.00 0.00 C ATOM 438 O VAL A 28 2.779 -0.873 39.898 1.00 0.00 O ATOM 439 CB VAL A 28 2.028 -1.064 36.797 1.00 0.00 C ATOM 440 CG1 VAL A 28 0.696 -0.817 37.507 1.00 0.00 C ATOM 441 CG2 VAL A 28 1.964 -0.478 35.385 1.00 0.00 C ATOM 0 H VAL A 28 4.271 -0.732 35.832 1.00 0.00 H new ATOM 0 HA VAL A 28 2.864 0.632 37.816 1.00 0.00 H new ATOM 0 HB VAL A 28 2.217 -2.136 36.741 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.108 -1.298 36.950 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.738 -1.231 38.514 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.507 0.255 37.563 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.159 -0.958 34.828 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.776 0.594 35.444 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.912 -0.652 34.875 1.00 0.00 H new ATOM 451 N ILE A 29 4.318 -2.117 38.834 1.00 0.00 N ATOM 452 CA ILE A 29 4.632 -2.915 40.016 1.00 0.00 C ATOM 453 C ILE A 29 5.060 -2.014 41.179 1.00 0.00 C ATOM 454 O ILE A 29 4.741 -2.285 42.336 1.00 0.00 O ATOM 455 CB ILE A 29 5.761 -3.916 39.691 1.00 0.00 C ATOM 456 CG1 ILE A 29 5.765 -5.045 40.732 1.00 0.00 C ATOM 457 CG2 ILE A 29 7.132 -3.210 39.712 1.00 0.00 C ATOM 458 CD1 ILE A 29 6.920 -6.011 40.444 1.00 0.00 C ATOM 0 H ILE A 29 4.848 -2.368 37.999 1.00 0.00 H new ATOM 0 HA ILE A 29 3.736 -3.462 40.310 1.00 0.00 H new ATOM 0 HB ILE A 29 5.584 -4.325 38.696 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.868 -4.628 41.734 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.816 -5.580 40.706 1.00 0.00 H new ATOM 0 HG21 ILE A 29 7.916 -3.931 39.481 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.142 -2.412 38.969 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.308 -2.787 40.701 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.919 -6.810 41.185 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.797 -6.438 39.449 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.866 -5.472 40.493 1.00 0.00 H new ATOM 470 N LEU A 30 5.796 -0.952 40.865 1.00 0.00 N ATOM 471 CA LEU A 30 6.278 -0.035 41.889 1.00 0.00 C ATOM 472 C LEU A 30 5.113 0.629 42.620 1.00 0.00 C ATOM 473 O LEU A 30 5.141 0.787 43.840 1.00 0.00 O ATOM 474 CB LEU A 30 7.161 1.043 41.236 1.00 0.00 C ATOM 475 CG LEU A 30 8.570 0.472 40.939 1.00 0.00 C ATOM 476 CD1 LEU A 30 9.192 1.211 39.748 1.00 0.00 C ATOM 477 CD2 LEU A 30 9.476 0.653 42.166 1.00 0.00 C ATOM 0 H LEU A 30 6.070 -0.707 39.914 1.00 0.00 H new ATOM 0 HA LEU A 30 6.860 -0.602 42.616 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.699 1.391 40.312 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.242 1.906 41.897 1.00 0.00 H new ATOM 0 HG LEU A 30 8.476 -0.588 40.705 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.183 0.804 39.545 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.560 1.082 38.870 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.276 2.272 39.982 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.465 0.249 41.951 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.560 1.714 42.403 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.046 0.125 43.017 1.00 0.00 H new ATOM 489 N LEU A 31 4.090 1.023 41.871 1.00 0.00 N ATOM 490 CA LEU A 31 2.938 1.671 42.488 1.00 0.00 C ATOM 491 C LEU A 31 2.181 0.686 43.380 1.00 0.00 C ATOM 492 O LEU A 31 1.839 0.998 44.519 1.00 0.00 O ATOM 493 CB LEU A 31 1.985 2.236 41.404 1.00 0.00 C ATOM 494 CG LEU A 31 0.844 3.109 42.021 1.00 0.00 C ATOM 495 CD1 LEU A 31 -0.191 2.224 42.763 1.00 0.00 C ATOM 496 CD2 LEU A 31 1.435 4.145 43.000 1.00 0.00 C ATOM 0 H LEU A 31 4.033 0.909 40.859 1.00 0.00 H new ATOM 0 HA LEU A 31 3.302 2.495 43.102 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.557 2.836 40.696 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.546 1.411 40.842 1.00 0.00 H new ATOM 0 HG LEU A 31 0.339 3.628 41.206 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.974 2.855 43.183 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.633 1.515 42.062 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.305 1.679 43.566 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.630 4.747 43.423 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.962 3.628 43.802 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.131 4.793 42.467 1.00 0.00 H new ATOM 508 N GLY A 32 1.921 -0.506 42.848 1.00 0.00 N ATOM 509 CA GLY A 32 1.190 -1.524 43.598 1.00 0.00 C ATOM 510 C GLY A 32 2.000 -2.072 44.770 1.00 0.00 C ATOM 511 O GLY A 32 1.534 -2.072 45.910 1.00 0.00 O ATOM 0 H GLY A 32 2.203 -0.789 41.909 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.258 -1.099 43.970 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.922 -2.342 42.930 1.00 0.00 H new ATOM 515 N VAL A 33 3.205 -2.549 44.479 1.00 0.00 N ATOM 516 CA VAL A 33 4.057 -3.119 45.517 1.00 0.00 C ATOM 517 C VAL A 33 4.224 -2.141 46.682 1.00 0.00 C ATOM 518 O VAL A 33 4.197 -2.539 47.847 1.00 0.00 O ATOM 519 CB VAL A 33 5.436 -3.475 44.929 1.00 0.00 C ATOM 520 CG1 VAL A 33 6.280 -2.207 44.754 1.00 0.00 C ATOM 521 CG2 VAL A 33 6.161 -4.441 45.872 1.00 0.00 C ATOM 0 H VAL A 33 3.611 -2.553 43.543 1.00 0.00 H new ATOM 0 HA VAL A 33 3.581 -4.024 45.893 1.00 0.00 H new ATOM 0 HB VAL A 33 5.294 -3.946 43.956 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.252 -2.472 44.338 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.770 -1.521 44.078 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.419 -1.726 45.722 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.136 -4.693 45.456 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.293 -3.969 46.846 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.570 -5.350 45.987 1.00 0.00 H new ATOM 531 N VAL A 34 4.403 -0.860 46.358 1.00 0.00 N ATOM 532 CA VAL A 34 4.572 0.160 47.386 1.00 0.00 C ATOM 533 C VAL A 34 3.266 0.378 48.154 1.00 0.00 C ATOM 534 O VAL A 34 3.253 0.395 49.382 1.00 0.00 O ATOM 535 CB VAL A 34 5.020 1.481 46.740 1.00 0.00 C ATOM 536 CG1 VAL A 34 4.919 2.625 47.760 1.00 0.00 C ATOM 537 CG2 VAL A 34 6.472 1.353 46.270 1.00 0.00 C ATOM 0 H VAL A 34 4.434 -0.509 45.401 1.00 0.00 H new ATOM 0 HA VAL A 34 5.334 -0.180 48.087 1.00 0.00 H new ATOM 0 HB VAL A 34 4.374 1.698 45.890 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.238 3.557 47.294 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.887 2.722 48.096 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.560 2.408 48.614 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.790 2.290 45.812 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.112 1.131 47.124 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.548 0.548 45.540 1.00 0.00 H new ATOM 547 N GLY A 35 2.174 0.549 47.422 1.00 0.00 N ATOM 548 CA GLY A 35 0.878 0.778 48.050 1.00 0.00 C ATOM 549 C GLY A 35 0.501 -0.389 48.953 1.00 0.00 C ATOM 550 O GLY A 35 -0.122 -0.202 49.998 1.00 0.00 O ATOM 0 H GLY A 35 2.157 0.534 46.402 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.909 1.699 48.632 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.115 0.911 47.283 1.00 0.00 H new ATOM 554 N LEU A 36 0.881 -1.591 48.540 1.00 0.00 N ATOM 555 CA LEU A 36 0.589 -2.786 49.320 1.00 0.00 C ATOM 556 C LEU A 36 1.363 -2.779 50.637 1.00 0.00 C ATOM 557 O LEU A 36 0.880 -3.274 51.654 1.00 0.00 O ATOM 558 CB LEU A 36 0.944 -4.040 48.518 1.00 0.00 C ATOM 559 CG LEU A 36 0.277 -5.275 49.158 1.00 0.00 C ATOM 560 CD1 LEU A 36 -1.209 -5.359 48.754 1.00 0.00 C ATOM 561 CD2 LEU A 36 1.007 -6.543 48.698 1.00 0.00 C ATOM 0 H LEU A 36 1.390 -1.764 47.673 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.478 -2.792 49.544 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.611 -3.929 47.486 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.026 -4.172 48.492 1.00 0.00 H new ATOM 0 HG LEU A 36 0.338 -5.185 50.243 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.662 -6.236 49.215 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.729 -4.462 49.091 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.287 -5.438 47.670 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.537 -7.417 49.149 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.952 -6.621 47.612 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.052 -6.493 49.005 1.00 0.00 H new ATOM 573 N SER A 37 2.574 -2.231 50.605 1.00 0.00 N ATOM 574 CA SER A 37 3.410 -2.179 51.800 1.00 0.00 C ATOM 575 C SER A 37 2.762 -1.324 52.883 1.00 0.00 C ATOM 576 O SER A 37 2.857 -1.630 54.063 1.00 0.00 O ATOM 577 CB SER A 37 4.785 -1.599 51.456 1.00 0.00 C ATOM 578 OG SER A 37 4.646 -0.222 51.149 1.00 0.00 O ATOM 0 H SER A 37 2.996 -1.820 49.772 1.00 0.00 H new ATOM 0 HA SER A 37 3.523 -3.196 52.175 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.468 -1.730 52.295 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.216 -2.131 50.608 1.00 0.00 H new ATOM 0 HG SER A 37 4.471 -0.117 50.191 1.00 0.00 H new ATOM 584 N ALA A 38 2.100 -0.254 52.462 1.00 0.00 N ATOM 585 CA ALA A 38 1.445 0.652 53.409 1.00 0.00 C ATOM 586 C ALA A 38 0.698 -0.143 54.482 1.00 0.00 C ATOM 587 O ALA A 38 0.729 0.207 55.663 1.00 0.00 O ATOM 588 CB ALA A 38 0.465 1.566 52.672 1.00 0.00 C ATOM 0 H ALA A 38 2.000 0.010 51.482 1.00 0.00 H new ATOM 0 HA ALA A 38 2.212 1.260 53.889 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.016 2.235 53.386 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.004 2.154 51.930 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.293 0.961 52.174 1.00 0.00 H new ATOM 594 N LEU A 39 0.029 -1.204 54.058 1.00 0.00 N ATOM 595 CA LEU A 39 -0.729 -2.036 54.989 1.00 0.00 C ATOM 596 C LEU A 39 0.192 -2.617 56.065 1.00 0.00 C ATOM 597 O LEU A 39 -0.143 -2.608 57.251 1.00 0.00 O ATOM 598 CB LEU A 39 -1.420 -3.180 54.226 1.00 0.00 C ATOM 599 CG LEU A 39 -2.594 -2.633 53.353 1.00 0.00 C ATOM 600 CD1 LEU A 39 -2.130 -2.396 51.907 1.00 0.00 C ATOM 601 CD2 LEU A 39 -3.750 -3.643 53.343 1.00 0.00 C ATOM 0 H LEU A 39 -0.007 -1.510 53.086 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.483 -1.415 55.472 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.695 -3.690 53.591 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.799 -3.918 54.933 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.926 -1.688 53.783 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.963 -2.015 51.316 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.318 -1.669 51.900 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.780 -3.335 51.479 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.566 -3.256 52.733 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.403 -4.589 52.927 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.103 -3.802 54.362 1.00 0.00 H new ATOM 613 N THR A 40 1.350 -3.117 55.649 1.00 0.00 N ATOM 614 CA THR A 40 2.313 -3.695 56.594 1.00 0.00 C ATOM 615 C THR A 40 3.210 -2.605 57.185 1.00 0.00 C ATOM 616 O THR A 40 3.470 -2.587 58.388 1.00 0.00 O ATOM 617 CB THR A 40 3.169 -4.752 55.880 1.00 0.00 C ATOM 618 OG1 THR A 40 3.499 -4.284 54.583 1.00 0.00 O ATOM 619 CG2 THR A 40 2.392 -6.069 55.760 1.00 0.00 C ATOM 0 H THR A 40 1.648 -3.137 54.674 1.00 0.00 H new ATOM 0 HA THR A 40 1.763 -4.166 57.409 1.00 0.00 H new ATOM 0 HB THR A 40 4.077 -4.926 56.457 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.304 -4.743 54.265 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.009 -6.810 55.252 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.134 -6.431 56.755 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.480 -5.902 55.187 1.00 0.00 H new ATOM 627 N GLY A 41 3.675 -1.695 56.337 1.00 0.00 N ATOM 628 CA GLY A 41 4.539 -0.604 56.785 1.00 0.00 C ATOM 629 C GLY A 41 6.007 -1.007 56.705 1.00 0.00 C ATOM 630 O GLY A 41 6.850 -0.453 57.410 1.00 0.00 O ATOM 0 H GLY A 41 3.470 -1.689 55.338 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.366 0.279 56.170 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.287 -0.333 57.810 1.00 0.00 H new ATOM 634 N TYR A 42 6.301 -1.979 55.838 1.00 0.00 N ATOM 635 CA TYR A 42 7.673 -2.473 55.651 1.00 0.00 C ATOM 636 C TYR A 42 8.158 -2.166 54.222 1.00 0.00 C ATOM 637 O TYR A 42 8.686 -3.036 53.530 1.00 0.00 O ATOM 638 CB TYR A 42 7.738 -4.002 55.944 1.00 0.00 C ATOM 639 CG TYR A 42 7.387 -4.819 54.703 1.00 0.00 C ATOM 640 CD1 TYR A 42 6.288 -4.444 53.921 1.00 0.00 C ATOM 641 CD2 TYR A 42 8.172 -5.915 54.327 1.00 0.00 C ATOM 642 CE1 TYR A 42 5.973 -5.166 52.764 1.00 0.00 C ATOM 643 CE2 TYR A 42 7.859 -6.637 53.169 1.00 0.00 C ATOM 644 CZ TYR A 42 6.760 -6.262 52.387 1.00 0.00 C ATOM 645 OH TYR A 42 6.450 -6.972 51.244 1.00 0.00 O ATOM 0 H TYR A 42 5.607 -2.443 55.252 1.00 0.00 H new ATOM 0 HA TYR A 42 8.333 -1.963 56.352 1.00 0.00 H new ATOM 0 HB2 TYR A 42 8.739 -4.267 56.286 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.049 -4.249 56.752 1.00 0.00 H new ATOM 0 HD1 TYR A 42 5.683 -3.597 54.211 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.020 -6.204 54.931 1.00 0.00 H new ATOM 0 HE1 TYR A 42 5.124 -4.878 52.162 1.00 0.00 H new ATOM 0 HE2 TYR A 42 8.465 -7.483 52.879 1.00 0.00 H new ATOM 0 HH TYR A 42 7.095 -7.700 51.126 1.00 0.00 H new ATOM 655 N LEU A 43 7.994 -0.923 53.784 1.00 0.00 N ATOM 656 CA LEU A 43 8.430 -0.532 52.445 1.00 0.00 C ATOM 657 C LEU A 43 9.954 -0.630 52.317 1.00 0.00 C ATOM 658 O LEU A 43 10.560 0.041 51.486 1.00 0.00 O ATOM 659 CB LEU A 43 7.969 0.915 52.145 1.00 0.00 C ATOM 660 CG LEU A 43 7.998 1.774 53.437 1.00 0.00 C ATOM 661 CD1 LEU A 43 8.371 3.224 53.092 1.00 0.00 C ATOM 662 CD2 LEU A 43 6.615 1.758 54.117 1.00 0.00 C ATOM 0 H LEU A 43 7.567 -0.174 54.329 1.00 0.00 H new ATOM 0 HA LEU A 43 7.980 -1.214 51.723 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.617 1.360 51.391 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.960 0.903 51.732 1.00 0.00 H new ATOM 0 HG LEU A 43 8.740 1.355 54.116 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.390 3.822 54.003 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.355 3.245 52.624 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.633 3.635 52.403 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.648 2.364 55.022 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.869 2.165 53.434 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.349 0.733 54.376 1.00 0.00 H new ATOM 674 N ASP A 44 10.572 -1.466 53.144 1.00 0.00 N ATOM 675 CA ASP A 44 12.016 -1.647 53.100 1.00 0.00 C ATOM 676 C ASP A 44 12.394 -2.609 51.973 1.00 0.00 C ATOM 677 O ASP A 44 13.403 -2.415 51.295 1.00 0.00 O ATOM 678 CB ASP A 44 12.513 -2.186 54.443 1.00 0.00 C ATOM 679 CG ASP A 44 14.031 -2.051 54.534 1.00 0.00 C ATOM 680 OD1 ASP A 44 14.582 -1.258 53.788 1.00 0.00 O ATOM 681 OD2 ASP A 44 14.619 -2.743 55.350 1.00 0.00 O ATOM 0 H ASP A 44 10.096 -2.027 53.851 1.00 0.00 H new ATOM 0 HA ASP A 44 12.488 -0.683 52.908 1.00 0.00 H new ATOM 0 HB2 ASP A 44 12.042 -1.639 55.260 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.226 -3.232 54.552 1.00 0.00 H new ATOM 686 N TYR A 45 11.578 -3.652 51.785 1.00 0.00 N ATOM 687 CA TYR A 45 11.835 -4.653 50.743 1.00 0.00 C ATOM 688 C TYR A 45 11.065 -4.341 49.457 1.00 0.00 C ATOM 689 O TYR A 45 10.449 -5.225 48.860 1.00 0.00 O ATOM 690 CB TYR A 45 11.433 -6.040 51.246 1.00 0.00 C ATOM 691 CG TYR A 45 12.353 -6.455 52.367 1.00 0.00 C ATOM 692 CD1 TYR A 45 12.109 -6.018 53.675 1.00 0.00 C ATOM 693 CD2 TYR A 45 13.452 -7.280 52.099 1.00 0.00 C ATOM 694 CE1 TYR A 45 12.964 -6.407 54.714 1.00 0.00 C ATOM 695 CE2 TYR A 45 14.306 -7.669 53.138 1.00 0.00 C ATOM 696 CZ TYR A 45 14.062 -7.232 54.446 1.00 0.00 C ATOM 697 OH TYR A 45 14.903 -7.614 55.470 1.00 0.00 O ATOM 0 H TYR A 45 10.738 -3.825 52.337 1.00 0.00 H new ATOM 0 HA TYR A 45 12.901 -4.629 50.518 1.00 0.00 H new ATOM 0 HB2 TYR A 45 10.400 -6.027 51.595 1.00 0.00 H new ATOM 0 HB3 TYR A 45 11.485 -6.763 50.432 1.00 0.00 H new ATOM 0 HD1 TYR A 45 11.262 -5.381 53.883 1.00 0.00 H new ATOM 0 HD2 TYR A 45 13.641 -7.616 51.090 1.00 0.00 H new ATOM 0 HE1 TYR A 45 12.776 -6.070 55.723 1.00 0.00 H new ATOM 0 HE2 TYR A 45 15.153 -8.306 52.931 1.00 0.00 H new ATOM 0 HH TYR A 45 15.614 -8.187 55.113 1.00 0.00 H new ATOM 707 N VAL A 46 11.101 -3.080 49.038 1.00 0.00 N ATOM 708 CA VAL A 46 10.407 -2.649 47.816 1.00 0.00 C ATOM 709 C VAL A 46 11.382 -1.944 46.885 1.00 0.00 C ATOM 710 O VAL A 46 11.094 -1.753 45.703 1.00 0.00 O ATOM 711 CB VAL A 46 9.248 -1.713 48.162 1.00 0.00 C ATOM 712 CG1 VAL A 46 8.352 -2.390 49.202 1.00 0.00 C ATOM 713 CG2 VAL A 46 9.802 -0.387 48.723 1.00 0.00 C ATOM 0 H VAL A 46 11.601 -2.335 49.522 1.00 0.00 H new ATOM 0 HA VAL A 46 10.007 -3.530 47.314 1.00 0.00 H new ATOM 0 HB VAL A 46 8.665 -1.499 47.266 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.523 -1.729 49.454 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.961 -3.322 48.794 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.933 -2.602 50.100 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.974 0.278 48.969 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.385 -0.588 49.622 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.438 0.087 47.976 1.00 0.00 H new ATOM 723 N LEU A 47 12.541 -1.579 47.418 1.00 0.00 N ATOM 724 CA LEU A 47 13.570 -0.914 46.624 1.00 0.00 C ATOM 725 C LEU A 47 14.505 -1.942 45.956 1.00 0.00 C ATOM 726 O LEU A 47 14.967 -1.723 44.836 1.00 0.00 O ATOM 727 CB LEU A 47 14.378 0.031 47.522 1.00 0.00 C ATOM 728 CG LEU A 47 14.990 -0.751 48.724 1.00 0.00 C ATOM 729 CD1 LEU A 47 16.469 -1.076 48.452 1.00 0.00 C ATOM 730 CD2 LEU A 47 14.885 0.092 50.008 1.00 0.00 C ATOM 0 H LEU A 47 12.793 -1.731 48.395 1.00 0.00 H new ATOM 0 HA LEU A 47 13.084 -0.340 45.835 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.173 0.501 46.943 1.00 0.00 H new ATOM 0 HB3 LEU A 47 13.736 0.831 47.890 1.00 0.00 H new ATOM 0 HG LEU A 47 14.435 -1.680 48.850 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.883 -1.622 49.300 1.00 0.00 H new ATOM 0 HD12 LEU A 47 16.548 -1.687 47.553 1.00 0.00 H new ATOM 0 HD13 LEU A 47 17.025 -0.149 48.311 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.315 -0.462 50.843 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.429 1.027 49.875 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.837 0.308 50.217 1.00 0.00 H new ATOM 742 N LEU A 48 14.802 -3.046 46.658 1.00 0.00 N ATOM 743 CA LEU A 48 15.702 -4.078 46.113 1.00 0.00 C ATOM 744 C LEU A 48 15.044 -4.833 44.942 1.00 0.00 C ATOM 745 O LEU A 48 15.691 -5.087 43.926 1.00 0.00 O ATOM 746 CB LEU A 48 16.115 -5.074 47.228 1.00 0.00 C ATOM 747 CG LEU A 48 17.550 -5.588 46.997 1.00 0.00 C ATOM 748 CD1 LEU A 48 18.583 -4.454 47.219 1.00 0.00 C ATOM 749 CD2 LEU A 48 17.823 -6.743 47.972 1.00 0.00 C ATOM 0 H LEU A 48 14.440 -3.247 47.590 1.00 0.00 H new ATOM 0 HA LEU A 48 16.593 -3.579 45.733 1.00 0.00 H new ATOM 0 HB2 LEU A 48 16.051 -4.586 48.200 1.00 0.00 H new ATOM 0 HB3 LEU A 48 15.421 -5.914 47.247 1.00 0.00 H new ATOM 0 HG LEU A 48 17.646 -5.935 45.968 1.00 0.00 H new ATOM 0 HD11 LEU A 48 19.588 -4.840 47.051 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.385 -3.640 46.522 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.503 -4.084 48.241 1.00 0.00 H new ATOM 0 HD21 LEU A 48 18.836 -7.116 47.819 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.718 -6.387 48.997 1.00 0.00 H new ATOM 0 HD23 LEU A 48 17.109 -7.547 47.793 1.00 0.00 H new ATOM 761 N PRO A 49 13.785 -5.196 45.068 1.00 0.00 N ATOM 762 CA PRO A 49 13.030 -5.935 44.002 1.00 0.00 C ATOM 763 C PRO A 49 12.829 -5.078 42.750 1.00 0.00 C ATOM 764 O PRO A 49 12.522 -5.595 41.674 1.00 0.00 O ATOM 765 CB PRO A 49 11.668 -6.270 44.662 1.00 0.00 C ATOM 766 CG PRO A 49 11.873 -6.049 46.127 1.00 0.00 C ATOM 767 CD PRO A 49 12.925 -4.951 46.229 1.00 0.00 C ATOM 0 HA PRO A 49 13.567 -6.821 43.665 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.876 -5.630 44.275 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.374 -7.300 44.457 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.944 -5.749 46.613 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.209 -6.962 46.618 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.475 -3.959 46.194 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.483 -5.015 47.163 1.00 0.00 H new ATOM 775 N ALA A 50 12.983 -3.767 42.908 1.00 0.00 N ATOM 776 CA ALA A 50 12.809 -2.844 41.793 1.00 0.00 C ATOM 777 C ALA A 50 13.931 -3.025 40.783 1.00 0.00 C ATOM 778 O ALA A 50 13.732 -2.862 39.583 1.00 0.00 O ATOM 779 CB ALA A 50 12.792 -1.401 42.297 1.00 0.00 C ATOM 0 H ALA A 50 13.227 -3.322 43.793 1.00 0.00 H new ATOM 0 HA ALA A 50 11.857 -3.060 41.309 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.661 -0.723 41.454 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.968 -1.270 42.999 1.00 0.00 H new ATOM 0 HB3 ALA A 50 13.734 -1.180 42.798 1.00 0.00 H new ATOM 785 N LEU A 51 15.109 -3.363 41.284 1.00 0.00 N ATOM 786 CA LEU A 51 16.274 -3.559 40.431 1.00 0.00 C ATOM 787 C LEU A 51 15.949 -4.540 39.308 1.00 0.00 C ATOM 788 O LEU A 51 16.601 -4.539 38.264 1.00 0.00 O ATOM 789 CB LEU A 51 17.467 -4.076 41.253 1.00 0.00 C ATOM 790 CG LEU A 51 18.794 -3.789 40.513 1.00 0.00 C ATOM 791 CD1 LEU A 51 19.276 -2.364 40.825 1.00 0.00 C ATOM 792 CD2 LEU A 51 19.867 -4.790 40.963 1.00 0.00 C ATOM 0 H LEU A 51 15.285 -3.508 42.278 1.00 0.00 H new ATOM 0 HA LEU A 51 16.544 -2.598 39.994 1.00 0.00 H new ATOM 0 HB2 LEU A 51 17.478 -3.597 42.232 1.00 0.00 H new ATOM 0 HB3 LEU A 51 17.362 -5.147 41.424 1.00 0.00 H new ATOM 0 HG LEU A 51 18.624 -3.888 39.441 1.00 0.00 H new ATOM 0 HD11 LEU A 51 20.211 -2.173 40.299 1.00 0.00 H new ATOM 0 HD12 LEU A 51 18.523 -1.646 40.500 1.00 0.00 H new ATOM 0 HD13 LEU A 51 19.436 -2.261 41.898 1.00 0.00 H new ATOM 0 HD21 LEU A 51 20.800 -4.583 40.439 1.00 0.00 H new ATOM 0 HD22 LEU A 51 20.026 -4.695 42.037 1.00 0.00 H new ATOM 0 HD23 LEU A 51 19.538 -5.804 40.733 1.00 0.00 H new ATOM 804 N ALA A 52 14.945 -5.376 39.527 1.00 0.00 N ATOM 805 CA ALA A 52 14.545 -6.352 38.522 1.00 0.00 C ATOM 806 C ALA A 52 14.286 -5.666 37.178 1.00 0.00 C ATOM 807 O ALA A 52 14.462 -6.273 36.121 1.00 0.00 O ATOM 808 CB ALA A 52 13.280 -7.081 38.979 1.00 0.00 C ATOM 0 H ALA A 52 14.395 -5.399 40.386 1.00 0.00 H new ATOM 0 HA ALA A 52 15.354 -7.072 38.398 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.986 -7.809 38.223 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.476 -7.594 39.920 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.475 -6.360 39.120 1.00 0.00 H new ATOM 814 N ILE A 53 13.863 -4.400 37.224 1.00 0.00 N ATOM 815 CA ILE A 53 13.587 -3.654 35.992 1.00 0.00 C ATOM 816 C ILE A 53 14.874 -3.484 35.191 1.00 0.00 C ATOM 817 O ILE A 53 14.880 -3.660 33.974 1.00 0.00 O ATOM 818 CB ILE A 53 12.982 -2.261 36.319 1.00 0.00 C ATOM 819 CG1 ILE A 53 12.333 -1.620 35.033 1.00 0.00 C ATOM 820 CG2 ILE A 53 14.081 -1.336 36.909 1.00 0.00 C ATOM 821 CD1 ILE A 53 13.331 -0.729 34.266 1.00 0.00 C ATOM 0 H ILE A 53 13.706 -3.876 38.085 1.00 0.00 H new ATOM 0 HA ILE A 53 12.864 -4.216 35.401 1.00 0.00 H new ATOM 0 HB ILE A 53 12.194 -2.382 37.062 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.974 -2.411 34.375 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.465 -1.027 35.322 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.652 -0.360 37.137 1.00 0.00 H new ATOM 0 HG22 ILE A 53 14.478 -1.780 37.822 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.885 -1.218 36.183 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.842 -0.308 33.388 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.671 0.079 34.914 1.00 0.00 H new ATOM 0 HD13 ILE A 53 14.187 -1.327 33.953 1.00 0.00 H new ATOM 833 N PHE A 54 15.955 -3.130 35.875 1.00 0.00 N ATOM 834 CA PHE A 54 17.240 -2.931 35.210 1.00 0.00 C ATOM 835 C PHE A 54 17.759 -4.249 34.656 1.00 0.00 C ATOM 836 O PHE A 54 18.243 -4.309 33.526 1.00 0.00 O ATOM 837 CB PHE A 54 18.256 -2.334 36.189 1.00 0.00 C ATOM 838 CG PHE A 54 17.978 -0.860 36.380 1.00 0.00 C ATOM 839 CD1 PHE A 54 18.376 0.056 35.399 1.00 0.00 C ATOM 840 CD2 PHE A 54 17.328 -0.408 37.536 1.00 0.00 C ATOM 841 CE1 PHE A 54 18.123 1.422 35.573 1.00 0.00 C ATOM 842 CE2 PHE A 54 17.076 0.957 37.710 1.00 0.00 C ATOM 843 CZ PHE A 54 17.473 1.873 36.728 1.00 0.00 C ATOM 0 H PHE A 54 15.970 -2.975 36.883 1.00 0.00 H new ATOM 0 HA PHE A 54 17.099 -2.236 34.382 1.00 0.00 H new ATOM 0 HB2 PHE A 54 18.199 -2.851 37.147 1.00 0.00 H new ATOM 0 HB3 PHE A 54 19.268 -2.476 35.809 1.00 0.00 H new ATOM 0 HD1 PHE A 54 18.878 -0.291 34.508 1.00 0.00 H new ATOM 0 HD2 PHE A 54 17.021 -1.114 38.293 1.00 0.00 H new ATOM 0 HE1 PHE A 54 18.430 2.128 34.816 1.00 0.00 H new ATOM 0 HE2 PHE A 54 16.575 1.304 38.602 1.00 0.00 H new ATOM 0 HZ PHE A 54 17.278 2.927 36.862 1.00 0.00 H new ATOM 853 N ILE A 55 17.655 -5.301 35.455 1.00 0.00 N ATOM 854 CA ILE A 55 18.113 -6.612 35.032 1.00 0.00 C ATOM 855 C ILE A 55 17.292 -7.088 33.841 1.00 0.00 C ATOM 856 O ILE A 55 17.831 -7.625 32.874 1.00 0.00 O ATOM 857 CB ILE A 55 17.989 -7.610 36.185 1.00 0.00 C ATOM 858 CG1 ILE A 55 18.853 -7.139 37.368 1.00 0.00 C ATOM 859 CG2 ILE A 55 18.469 -8.993 35.719 1.00 0.00 C ATOM 860 CD1 ILE A 55 18.433 -7.875 38.654 1.00 0.00 C ATOM 0 H ILE A 55 17.259 -5.271 36.395 1.00 0.00 H new ATOM 0 HA ILE A 55 19.160 -6.543 34.738 1.00 0.00 H new ATOM 0 HB ILE A 55 16.947 -7.673 36.499 1.00 0.00 H new ATOM 0 HG12 ILE A 55 19.906 -7.329 37.158 1.00 0.00 H new ATOM 0 HG13 ILE A 55 18.744 -6.063 37.503 1.00 0.00 H new ATOM 0 HG21 ILE A 55 18.381 -9.704 36.540 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.857 -9.328 34.882 1.00 0.00 H new ATOM 0 HG23 ILE A 55 19.511 -8.930 35.404 1.00 0.00 H new ATOM 0 HD11 ILE A 55 19.050 -7.535 39.486 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.386 -7.663 38.869 1.00 0.00 H new ATOM 0 HD13 ILE A 55 18.566 -8.948 38.519 1.00 0.00 H new ATOM 872 N GLY A 56 15.980 -6.887 33.924 1.00 0.00 N ATOM 873 CA GLY A 56 15.084 -7.294 32.852 1.00 0.00 C ATOM 874 C GLY A 56 15.302 -6.435 31.608 1.00 0.00 C ATOM 875 O GLY A 56 15.185 -6.914 30.480 1.00 0.00 O ATOM 0 H GLY A 56 15.518 -6.447 34.719 1.00 0.00 H new ATOM 0 HA2 GLY A 56 15.253 -8.343 32.609 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.049 -7.206 33.184 1.00 0.00 H new ATOM 879 N LEU A 57 15.606 -5.157 31.825 1.00 0.00 N ATOM 880 CA LEU A 57 15.830 -4.231 30.719 1.00 0.00 C ATOM 881 C LEU A 57 17.130 -4.561 29.983 1.00 0.00 C ATOM 882 O LEU A 57 17.230 -4.389 28.768 1.00 0.00 O ATOM 883 CB LEU A 57 15.885 -2.787 31.231 1.00 0.00 C ATOM 884 CG LEU A 57 15.821 -1.806 30.043 1.00 0.00 C ATOM 885 CD1 LEU A 57 14.398 -1.777 29.443 1.00 0.00 C ATOM 886 CD2 LEU A 57 16.202 -0.401 30.526 1.00 0.00 C ATOM 0 H LEU A 57 15.702 -4.742 32.752 1.00 0.00 H new ATOM 0 HA LEU A 57 14.997 -4.336 30.024 1.00 0.00 H new ATOM 0 HB2 LEU A 57 15.054 -2.602 31.912 1.00 0.00 H new ATOM 0 HB3 LEU A 57 16.803 -2.627 31.797 1.00 0.00 H new ATOM 0 HG LEU A 57 16.519 -2.136 29.273 1.00 0.00 H new ATOM 0 HD11 LEU A 57 14.370 -1.080 28.606 1.00 0.00 H new ATOM 0 HD12 LEU A 57 14.130 -2.774 29.094 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.688 -1.457 30.206 1.00 0.00 H new ATOM 0 HD21 LEU A 57 16.158 0.296 29.689 1.00 0.00 H new ATOM 0 HD22 LEU A 57 15.506 -0.081 31.301 1.00 0.00 H new ATOM 0 HD23 LEU A 57 17.214 -0.418 30.932 1.00 0.00 H new ATOM 898 N THR A 58 18.130 -5.020 30.729 1.00 0.00 N ATOM 899 CA THR A 58 19.427 -5.361 30.140 1.00 0.00 C ATOM 900 C THR A 58 19.312 -6.573 29.214 1.00 0.00 C ATOM 901 O THR A 58 19.770 -6.534 28.072 1.00 0.00 O ATOM 902 CB THR A 58 20.441 -5.654 31.251 1.00 0.00 C ATOM 903 OG1 THR A 58 19.832 -6.490 32.226 1.00 0.00 O ATOM 904 CG2 THR A 58 20.899 -4.347 31.910 1.00 0.00 C ATOM 0 H THR A 58 18.071 -5.165 31.737 1.00 0.00 H new ATOM 0 HA THR A 58 19.766 -4.510 29.549 1.00 0.00 H new ATOM 0 HB THR A 58 21.310 -6.154 30.822 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.907 -6.679 31.963 1.00 0.00 H new ATOM 0 HG21 THR A 58 21.619 -4.569 32.697 1.00 0.00 H new ATOM 0 HG22 THR A 58 21.366 -3.706 31.162 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.038 -3.835 32.340 1.00 0.00 H new ATOM 912 N ILE A 59 18.699 -7.642 29.704 1.00 0.00 N ATOM 913 CA ILE A 59 18.536 -8.852 28.905 1.00 0.00 C ATOM 914 C ILE A 59 17.572 -8.605 27.750 1.00 0.00 C ATOM 915 O ILE A 59 17.755 -9.113 26.644 1.00 0.00 O ATOM 916 CB ILE A 59 18.023 -9.988 29.789 1.00 0.00 C ATOM 917 CG1 ILE A 59 17.881 -11.264 28.952 1.00 0.00 C ATOM 918 CG2 ILE A 59 16.665 -9.608 30.371 1.00 0.00 C ATOM 919 CD1 ILE A 59 17.710 -12.471 29.879 1.00 0.00 C ATOM 0 H ILE A 59 18.308 -7.698 30.645 1.00 0.00 H new ATOM 0 HA ILE A 59 19.504 -9.132 28.489 1.00 0.00 H new ATOM 0 HB ILE A 59 18.730 -10.163 30.600 1.00 0.00 H new ATOM 0 HG12 ILE A 59 17.022 -11.180 28.286 1.00 0.00 H new ATOM 0 HG13 ILE A 59 18.761 -11.398 28.323 1.00 0.00 H new ATOM 0 HG21 ILE A 59 16.300 -10.419 31.001 1.00 0.00 H new ATOM 0 HG22 ILE A 59 16.766 -8.701 30.968 1.00 0.00 H new ATOM 0 HG23 ILE A 59 15.958 -9.432 29.560 1.00 0.00 H new ATOM 0 HD11 ILE A 59 17.609 -13.377 29.282 1.00 0.00 H new ATOM 0 HD12 ILE A 59 18.582 -12.559 30.527 1.00 0.00 H new ATOM 0 HD13 ILE A 59 16.817 -12.337 30.489 1.00 0.00 H new ATOM 931 N TYR A 60 16.536 -7.824 28.024 1.00 0.00 N ATOM 932 CA TYR A 60 15.531 -7.513 27.010 1.00 0.00 C ATOM 933 C TYR A 60 16.211 -7.087 25.699 1.00 0.00 C ATOM 934 O TYR A 60 15.702 -7.364 24.613 1.00 0.00 O ATOM 935 CB TYR A 60 14.591 -6.388 27.525 1.00 0.00 C ATOM 936 CG TYR A 60 14.287 -5.394 26.417 1.00 0.00 C ATOM 937 CD1 TYR A 60 13.433 -5.762 25.371 1.00 0.00 C ATOM 938 CD2 TYR A 60 14.887 -4.128 26.421 1.00 0.00 C ATOM 939 CE1 TYR A 60 13.178 -4.863 24.328 1.00 0.00 C ATOM 940 CE2 TYR A 60 14.631 -3.230 25.378 1.00 0.00 C ATOM 941 CZ TYR A 60 13.777 -3.598 24.332 1.00 0.00 C ATOM 942 OH TYR A 60 13.530 -2.713 23.305 1.00 0.00 O ATOM 0 H TYR A 60 16.368 -7.395 28.934 1.00 0.00 H new ATOM 0 HA TYR A 60 14.936 -8.405 26.815 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.663 -6.824 27.895 1.00 0.00 H new ATOM 0 HB3 TYR A 60 15.058 -5.873 28.365 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.971 -6.738 25.368 1.00 0.00 H new ATOM 0 HD2 TYR A 60 15.547 -3.845 27.228 1.00 0.00 H new ATOM 0 HE1 TYR A 60 12.519 -5.146 23.520 1.00 0.00 H new ATOM 0 HE2 TYR A 60 15.092 -2.254 25.381 1.00 0.00 H new ATOM 0 HH TYR A 60 14.024 -1.881 23.464 1.00 0.00 H new ATOM 952 N ALA A 61 17.341 -6.401 25.806 1.00 0.00 N ATOM 953 CA ALA A 61 18.053 -5.927 24.625 1.00 0.00 C ATOM 954 C ALA A 61 18.225 -7.044 23.604 1.00 0.00 C ATOM 955 O ALA A 61 18.324 -6.791 22.404 1.00 0.00 O ATOM 956 CB ALA A 61 19.427 -5.388 25.027 1.00 0.00 C ATOM 0 H ALA A 61 17.783 -6.161 26.693 1.00 0.00 H new ATOM 0 HA ALA A 61 17.463 -5.131 24.171 1.00 0.00 H new ATOM 0 HB1 ALA A 61 19.953 -5.036 24.140 1.00 0.00 H new ATOM 0 HB2 ALA A 61 19.303 -4.562 25.727 1.00 0.00 H new ATOM 0 HB3 ALA A 61 20.005 -6.182 25.500 1.00 0.00 H new ATOM 962 N ILE A 62 18.266 -8.280 24.080 1.00 0.00 N ATOM 963 CA ILE A 62 18.426 -9.426 23.198 1.00 0.00 C ATOM 964 C ILE A 62 17.182 -9.624 22.322 1.00 0.00 C ATOM 965 O ILE A 62 17.272 -10.111 21.196 1.00 0.00 O ATOM 966 CB ILE A 62 18.680 -10.700 24.032 1.00 0.00 C ATOM 967 CG1 ILE A 62 19.311 -11.800 23.132 1.00 0.00 C ATOM 968 CG2 ILE A 62 17.352 -11.211 24.628 1.00 0.00 C ATOM 969 CD1 ILE A 62 20.840 -11.754 23.239 1.00 0.00 C ATOM 0 H ILE A 62 18.191 -8.514 25.070 1.00 0.00 H new ATOM 0 HA ILE A 62 19.280 -9.238 22.548 1.00 0.00 H new ATOM 0 HB ILE A 62 19.367 -10.463 24.844 1.00 0.00 H new ATOM 0 HG12 ILE A 62 18.947 -12.782 23.435 1.00 0.00 H new ATOM 0 HG13 ILE A 62 19.006 -11.652 22.096 1.00 0.00 H new ATOM 0 HG21 ILE A 62 17.539 -12.110 25.215 1.00 0.00 H new ATOM 0 HG22 ILE A 62 16.921 -10.442 25.269 1.00 0.00 H new ATOM 0 HG23 ILE A 62 16.656 -11.442 23.821 1.00 0.00 H new ATOM 0 HD11 ILE A 62 21.273 -12.528 22.605 1.00 0.00 H new ATOM 0 HD12 ILE A 62 21.198 -10.777 22.914 1.00 0.00 H new ATOM 0 HD13 ILE A 62 21.138 -11.924 24.274 1.00 0.00 H new ATOM 981 N GLN A 63 16.021 -9.257 22.862 1.00 0.00 N ATOM 982 CA GLN A 63 14.767 -9.410 22.131 1.00 0.00 C ATOM 983 C GLN A 63 14.696 -8.458 20.937 1.00 0.00 C ATOM 984 O GLN A 63 14.293 -8.847 19.840 1.00 0.00 O ATOM 985 CB GLN A 63 13.572 -9.153 23.075 1.00 0.00 C ATOM 986 CG GLN A 63 12.270 -9.011 22.266 1.00 0.00 C ATOM 987 CD GLN A 63 12.152 -10.151 21.256 1.00 0.00 C ATOM 988 OE1 GLN A 63 12.414 -11.306 21.593 1.00 0.00 O ATOM 989 NE2 GLN A 63 11.783 -9.891 20.033 1.00 0.00 N ATOM 0 H GLN A 63 15.924 -8.855 23.795 1.00 0.00 H new ATOM 0 HA GLN A 63 14.722 -10.431 21.753 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.478 -9.974 23.785 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.747 -8.247 23.656 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.412 -9.020 22.938 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.258 -8.052 21.747 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.567 -8.933 19.758 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.710 -10.646 19.351 1.00 0.00 H new ATOM 998 N ARG A 64 15.081 -7.209 21.164 1.00 0.00 N ATOM 999 CA ARG A 64 15.059 -6.190 20.119 1.00 0.00 C ATOM 1000 C ARG A 64 16.235 -6.358 19.169 1.00 0.00 C ATOM 1001 O ARG A 64 16.206 -5.878 18.035 1.00 0.00 O ATOM 1002 CB ARG A 64 15.080 -4.792 20.736 1.00 0.00 C ATOM 1003 CG ARG A 64 14.916 -3.751 19.628 1.00 0.00 C ATOM 1004 CD ARG A 64 14.758 -2.365 20.251 1.00 0.00 C ATOM 1005 NE ARG A 64 14.578 -1.359 19.211 1.00 0.00 N ATOM 1006 CZ ARG A 64 14.264 -0.105 19.516 1.00 0.00 C ATOM 1007 NH1 ARG A 64 14.112 0.245 20.764 1.00 0.00 N ATOM 1008 NH2 ARG A 64 14.108 0.777 18.567 1.00 0.00 N ATOM 0 H ARG A 64 15.415 -6.874 22.068 1.00 0.00 H new ATOM 0 HA ARG A 64 14.137 -6.312 19.550 1.00 0.00 H new ATOM 0 HB2 ARG A 64 14.278 -4.692 21.467 1.00 0.00 H new ATOM 0 HB3 ARG A 64 16.018 -4.630 21.268 1.00 0.00 H new ATOM 0 HG2 ARG A 64 15.783 -3.768 18.967 1.00 0.00 H new ATOM 0 HG3 ARG A 64 14.045 -3.988 19.017 1.00 0.00 H new ATOM 0 HD2 ARG A 64 13.902 -2.358 20.925 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.637 -2.126 20.849 1.00 0.00 H new ATOM 0 HE ARG A 64 14.695 -1.623 18.233 1.00 0.00 H new ATOM 0 HH11 ARG A 64 14.234 -0.445 21.506 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.871 1.208 20.998 1.00 0.00 H new ATOM 0 HH21 ARG A 64 14.227 0.503 17.592 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.867 1.740 18.801 1.00 0.00 H new ATOM 1022 N LYS A 65 17.285 -7.006 19.651 1.00 0.00 N ATOM 1023 CA LYS A 65 18.485 -7.179 18.846 1.00 0.00 C ATOM 1024 C LYS A 65 18.144 -7.733 17.465 1.00 0.00 C ATOM 1025 O LYS A 65 18.597 -7.192 16.456 1.00 0.00 O ATOM 1026 CB LYS A 65 19.433 -8.155 19.549 1.00 0.00 C ATOM 1027 CG LYS A 65 20.829 -8.050 18.934 1.00 0.00 C ATOM 1028 CD LYS A 65 21.797 -8.949 19.706 1.00 0.00 C ATOM 1029 CE LYS A 65 23.228 -8.670 19.247 1.00 0.00 C ATOM 1030 NZ LYS A 65 23.272 -8.616 17.759 1.00 0.00 N ATOM 0 H LYS A 65 17.331 -7.416 20.584 1.00 0.00 H new ATOM 0 HA LYS A 65 18.959 -6.205 18.727 1.00 0.00 H new ATOM 0 HB2 LYS A 65 19.477 -7.931 20.615 1.00 0.00 H new ATOM 0 HB3 LYS A 65 19.058 -9.174 19.453 1.00 0.00 H new ATOM 0 HG2 LYS A 65 20.799 -8.346 17.885 1.00 0.00 H new ATOM 0 HG3 LYS A 65 21.174 -7.016 18.964 1.00 0.00 H new ATOM 0 HD2 LYS A 65 21.705 -8.766 20.777 1.00 0.00 H new ATOM 0 HD3 LYS A 65 21.548 -9.997 19.539 1.00 0.00 H new ATOM 0 HE2 LYS A 65 23.578 -7.727 19.666 1.00 0.00 H new ATOM 0 HE3 LYS A 65 23.897 -9.449 19.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 24.239 -8.817 17.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 22.620 -9.325 17.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 22.988 -7.669 17.437 1.00 0.00 H new ATOM 1044 N ARG A 66 17.345 -8.795 17.398 1.00 0.00 N ATOM 1045 CA ARG A 66 16.970 -9.364 16.108 1.00 0.00 C ATOM 1046 C ARG A 66 15.968 -8.463 15.394 1.00 0.00 C ATOM 1047 O ARG A 66 16.113 -8.174 14.207 1.00 0.00 O ATOM 1048 CB ARG A 66 16.359 -10.751 16.325 1.00 0.00 C ATOM 1049 CG ARG A 66 16.237 -11.499 14.978 1.00 0.00 C ATOM 1050 CD ARG A 66 17.556 -12.213 14.629 1.00 0.00 C ATOM 1051 NE ARG A 66 18.514 -11.262 14.070 1.00 0.00 N ATOM 1052 CZ ARG A 66 18.488 -10.937 12.781 1.00 0.00 C ATOM 1053 NH1 ARG A 66 17.596 -11.469 11.991 1.00 0.00 N ATOM 1054 NH2 ARG A 66 19.353 -10.083 12.306 1.00 0.00 N ATOM 0 H ARG A 66 16.950 -9.272 18.208 1.00 0.00 H new ATOM 0 HA ARG A 66 17.861 -9.448 15.486 1.00 0.00 H new ATOM 0 HB2 ARG A 66 16.979 -11.326 17.013 1.00 0.00 H new ATOM 0 HB3 ARG A 66 15.376 -10.655 16.786 1.00 0.00 H new ATOM 0 HG2 ARG A 66 15.427 -12.227 15.033 1.00 0.00 H new ATOM 0 HG3 ARG A 66 15.979 -10.794 14.187 1.00 0.00 H new ATOM 0 HD2 ARG A 66 17.973 -12.678 15.522 1.00 0.00 H new ATOM 0 HD3 ARG A 66 17.366 -13.012 13.913 1.00 0.00 H new ATOM 0 HE ARG A 66 19.215 -10.840 14.679 1.00 0.00 H new ATOM 0 HH11 ARG A 66 16.918 -12.135 12.362 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.577 -11.219 11.002 1.00 0.00 H new ATOM 0 HH21 ARG A 66 20.049 -9.665 12.924 1.00 0.00 H new ATOM 0 HH22 ARG A 66 19.333 -9.834 11.317 1.00 0.00 H new ATOM 1068 N GLN A 67 14.943 -8.038 16.127 1.00 0.00 N ATOM 1069 CA GLN A 67 13.907 -7.187 15.552 1.00 0.00 C ATOM 1070 C GLN A 67 14.551 -6.006 14.841 1.00 0.00 C ATOM 1071 O GLN A 67 13.988 -5.468 13.888 1.00 0.00 O ATOM 1072 CB GLN A 67 12.959 -6.684 16.642 1.00 0.00 C ATOM 1073 CG GLN A 67 11.795 -5.924 16.004 1.00 0.00 C ATOM 1074 CD GLN A 67 10.781 -5.531 17.073 1.00 0.00 C ATOM 1075 OE1 GLN A 67 11.152 -4.987 18.114 1.00 0.00 O ATOM 1076 NE2 GLN A 67 9.516 -5.781 16.880 1.00 0.00 N ATOM 0 H GLN A 67 14.808 -8.267 17.112 1.00 0.00 H new ATOM 0 HA GLN A 67 13.331 -7.772 14.835 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.581 -7.524 17.225 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.496 -6.033 17.332 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.166 -5.033 15.497 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.316 -6.545 15.247 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.211 -6.232 16.017 1.00 0.00 H new ATOM 0 HE22 GLN A 67 8.831 -5.526 17.592 1.00 0.00 H new ATOM 1085 N ALA A 68 15.730 -5.606 15.305 1.00 0.00 N ATOM 1086 CA ALA A 68 16.428 -4.488 14.691 1.00 0.00 C ATOM 1087 C ALA A 68 16.525 -4.707 13.186 1.00 0.00 C ATOM 1088 O ALA A 68 16.427 -3.768 12.397 1.00 0.00 O ATOM 1089 CB ALA A 68 17.833 -4.372 15.287 1.00 0.00 C ATOM 0 H ALA A 68 16.215 -6.034 16.094 1.00 0.00 H new ATOM 0 HA ALA A 68 15.877 -3.568 14.884 1.00 0.00 H new ATOM 0 HB1 ALA A 68 18.356 -3.534 14.826 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.760 -4.207 16.362 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.386 -5.292 15.098 1.00 0.00 H new ATOM 1095 N ASP A 69 16.713 -5.971 12.807 1.00 0.00 N ATOM 1096 CA ASP A 69 16.810 -6.333 11.398 1.00 0.00 C ATOM 1097 C ASP A 69 15.490 -6.052 10.684 1.00 0.00 C ATOM 1098 O ASP A 69 15.476 -5.544 9.563 1.00 0.00 O ATOM 1099 CB ASP A 69 17.168 -7.815 11.245 1.00 0.00 C ATOM 1100 CG ASP A 69 17.140 -8.206 9.770 1.00 0.00 C ATOM 1101 OD1 ASP A 69 17.991 -7.735 9.035 1.00 0.00 O ATOM 1102 OD2 ASP A 69 16.263 -8.968 9.399 1.00 0.00 O ATOM 0 H ASP A 69 16.800 -6.755 13.453 1.00 0.00 H new ATOM 0 HA ASP A 69 17.598 -5.729 10.948 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.157 -8.004 11.662 1.00 0.00 H new ATOM 0 HB3 ASP A 69 16.463 -8.428 11.806 1.00 0.00 H new ATOM 1107 N ALA A 70 14.381 -6.388 11.337 1.00 0.00 N ATOM 1108 CA ALA A 70 13.065 -6.164 10.751 1.00 0.00 C ATOM 1109 C ALA A 70 12.795 -4.671 10.591 1.00 0.00 C ATOM 1110 O ALA A 70 12.318 -4.225 9.548 1.00 0.00 O ATOM 1111 CB ALA A 70 11.987 -6.786 11.642 1.00 0.00 C ATOM 0 H ALA A 70 14.367 -6.813 12.264 1.00 0.00 H new ATOM 0 HA ALA A 70 13.041 -6.632 9.767 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.006 -6.615 11.199 1.00 0.00 H new ATOM 0 HB2 ALA A 70 12.163 -7.858 11.732 1.00 0.00 H new ATOM 0 HB3 ALA A 70 12.023 -6.328 12.631 1.00 0.00 H new ATOM 1117 N SER A 71 13.106 -3.907 11.632 1.00 0.00 N ATOM 1118 CA SER A 71 12.897 -2.464 11.602 1.00 0.00 C ATOM 1119 C SER A 71 13.872 -1.800 10.634 1.00 0.00 C ATOM 1120 O SER A 71 13.528 -0.836 9.951 1.00 0.00 O ATOM 1121 CB SER A 71 13.077 -1.879 13.002 1.00 0.00 C ATOM 1122 OG SER A 71 12.751 -0.496 12.975 1.00 0.00 O ATOM 0 H SER A 71 13.502 -4.260 12.503 1.00 0.00 H new ATOM 0 HA SER A 71 11.880 -2.270 11.260 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.437 -2.402 13.713 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.105 -2.016 13.337 1.00 0.00 H new ATOM 0 HG SER A 71 12.863 -0.116 13.871 1.00 0.00 H new ATOM 1128 N SER A 72 15.096 -2.319 10.589 1.00 0.00 N ATOM 1129 CA SER A 72 16.123 -1.767 9.708 1.00 0.00 C ATOM 1130 C SER A 72 15.969 -2.305 8.288 1.00 0.00 C ATOM 1131 O SER A 72 16.931 -2.343 7.522 1.00 0.00 O ATOM 1132 CB SER A 72 17.512 -2.118 10.238 1.00 0.00 C ATOM 1133 OG SER A 72 17.679 -3.527 10.210 1.00 0.00 O ATOM 0 H SER A 72 15.400 -3.116 11.148 1.00 0.00 H new ATOM 0 HA SER A 72 16.004 -0.684 9.686 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.279 -1.637 9.631 1.00 0.00 H new ATOM 0 HB3 SER A 72 17.631 -1.746 11.255 1.00 0.00 H new ATOM 0 HG SER A 72 17.606 -3.883 11.120 1.00 0.00 H new ATOM 1139 N THR A 73 14.749 -2.716 7.939 1.00 0.00 N ATOM 1140 CA THR A 73 14.475 -3.249 6.601 1.00 0.00 C ATOM 1141 C THR A 73 13.123 -2.746 6.090 1.00 0.00 C ATOM 1142 O THR A 73 12.162 -3.511 6.002 1.00 0.00 O ATOM 1143 CB THR A 73 14.483 -4.786 6.642 1.00 0.00 C ATOM 1144 OG1 THR A 73 13.841 -5.231 7.829 1.00 0.00 O ATOM 1145 CG2 THR A 73 15.926 -5.296 6.623 1.00 0.00 C ATOM 0 H THR A 73 13.939 -2.691 8.558 1.00 0.00 H new ATOM 0 HA THR A 73 15.253 -2.903 5.920 1.00 0.00 H new ATOM 0 HB THR A 73 13.952 -5.172 5.772 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.513 -5.570 8.457 1.00 0.00 H new ATOM 0 HG21 THR A 73 15.927 -6.386 6.652 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.420 -4.957 5.712 1.00 0.00 H new ATOM 0 HG23 THR A 73 16.460 -4.909 7.491 1.00 0.00 H new ATOM 1153 N PRO A 74 13.032 -1.479 5.760 1.00 0.00 N ATOM 1154 CA PRO A 74 11.769 -0.863 5.250 1.00 0.00 C ATOM 1155 C PRO A 74 11.415 -1.356 3.841 1.00 0.00 C ATOM 1156 O PRO A 74 10.452 -2.100 3.655 1.00 0.00 O ATOM 1157 CB PRO A 74 12.068 0.660 5.254 1.00 0.00 C ATOM 1158 CG PRO A 74 13.346 0.820 6.025 1.00 0.00 C ATOM 1159 CD PRO A 74 14.109 -0.487 5.839 1.00 0.00 C ATOM 0 HA PRO A 74 10.908 -1.128 5.863 1.00 0.00 H new ATOM 0 HB2 PRO A 74 12.173 1.041 4.238 1.00 0.00 H new ATOM 0 HB3 PRO A 74 11.256 1.217 5.721 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.924 1.666 5.653 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.146 1.009 7.080 1.00 0.00 H new ATOM 0 HD2 PRO A 74 14.717 -0.476 4.934 1.00 0.00 H new ATOM 0 HD3 PRO A 74 14.782 -0.685 6.673 1.00 0.00 H new ATOM 1167 N LYS A 75 12.200 -0.921 2.853 1.00 0.00 N ATOM 1168 CA LYS A 75 11.963 -1.316 1.468 1.00 0.00 C ATOM 1169 C LYS A 75 12.429 -2.747 1.226 1.00 0.00 C ATOM 1170 O LYS A 75 11.752 -3.516 0.543 1.00 0.00 O ATOM 1171 CB LYS A 75 12.694 -0.368 0.503 1.00 0.00 C ATOM 1172 CG LYS A 75 12.288 -0.671 -0.961 1.00 0.00 C ATOM 1173 CD LYS A 75 11.030 0.126 -1.333 1.00 0.00 C ATOM 1174 CE LYS A 75 10.539 -0.308 -2.715 1.00 0.00 C ATOM 1175 NZ LYS A 75 10.137 -1.743 -2.670 1.00 0.00 N ATOM 0 H LYS A 75 12.998 -0.300 2.987 1.00 0.00 H new ATOM 0 HA LYS A 75 10.890 -1.257 1.283 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.453 0.667 0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.772 -0.481 0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.105 -0.412 -1.635 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.101 -1.738 -1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.250 -0.039 -0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.250 1.194 -1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.694 0.308 -3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.326 -0.163 -3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.440 -1.932 -3.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.974 -2.343 -2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.717 -1.957 -1.743 1.00 0.00 H new ATOM 1189 N PHE A 76 13.595 -3.092 1.776 1.00 0.00 N ATOM 1190 CA PHE A 76 14.153 -4.434 1.600 1.00 0.00 C ATOM 1191 C PHE A 76 13.053 -5.484 1.650 1.00 0.00 C ATOM 1192 O PHE A 76 12.704 -6.073 0.633 1.00 0.00 O ATOM 1193 CB PHE A 76 15.181 -4.721 2.696 1.00 0.00 C ATOM 1194 CG PHE A 76 15.712 -6.129 2.531 1.00 0.00 C ATOM 1195 CD1 PHE A 76 16.464 -6.462 1.397 1.00 0.00 C ATOM 1196 CD2 PHE A 76 15.453 -7.099 3.507 1.00 0.00 C ATOM 1197 CE1 PHE A 76 16.956 -7.764 1.241 1.00 0.00 C ATOM 1198 CE2 PHE A 76 15.945 -8.400 3.352 1.00 0.00 C ATOM 1199 CZ PHE A 76 16.696 -8.733 2.218 1.00 0.00 C ATOM 0 H PHE A 76 14.167 -2.466 2.343 1.00 0.00 H new ATOM 0 HA PHE A 76 14.638 -4.478 0.625 1.00 0.00 H new ATOM 0 HB2 PHE A 76 15.999 -4.003 2.640 1.00 0.00 H new ATOM 0 HB3 PHE A 76 14.723 -4.606 3.678 1.00 0.00 H new ATOM 0 HD1 PHE A 76 16.664 -5.715 0.643 1.00 0.00 H new ATOM 0 HD2 PHE A 76 14.873 -6.843 4.381 1.00 0.00 H new ATOM 0 HE1 PHE A 76 17.536 -8.021 0.367 1.00 0.00 H new ATOM 0 HE2 PHE A 76 15.746 -9.147 4.106 1.00 0.00 H new ATOM 0 HZ PHE A 76 17.075 -9.737 2.097 1.00 0.00 H new ATOM 1209 N ASN A 77 12.508 -5.705 2.835 1.00 0.00 N ATOM 1210 CA ASN A 77 11.436 -6.675 3.002 1.00 0.00 C ATOM 1211 C ASN A 77 10.138 -6.134 2.405 1.00 0.00 C ATOM 1212 O ASN A 77 9.258 -6.898 2.008 1.00 0.00 O ATOM 1213 CB ASN A 77 11.247 -6.995 4.492 1.00 0.00 C ATOM 1214 CG ASN A 77 12.317 -7.979 4.956 1.00 0.00 C ATOM 1215 OD1 ASN A 77 12.476 -9.047 4.364 1.00 0.00 O ATOM 1216 ND2 ASN A 77 13.063 -7.683 5.984 1.00 0.00 N ATOM 0 H ASN A 77 12.788 -5.229 3.692 1.00 0.00 H new ATOM 0 HA ASN A 77 11.703 -7.592 2.477 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.305 -6.079 5.079 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.256 -7.418 4.658 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.780 -8.337 6.299 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.930 -6.798 6.473 1.00 0.00 H new ATOM 1223 N GLY A 78 10.024 -4.808 2.351 1.00 0.00 N ATOM 1224 CA GLY A 78 8.824 -4.171 1.811 1.00 0.00 C ATOM 1225 C GLY A 78 8.518 -4.662 0.397 1.00 0.00 C ATOM 1226 O GLY A 78 7.354 -4.820 0.032 1.00 0.00 O ATOM 0 H GLY A 78 10.742 -4.158 2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.975 -4.381 2.462 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.958 -3.089 1.801 1.00 0.00 H new ATOM 1230 N VAL A 79 9.565 -4.899 -0.392 1.00 0.00 N ATOM 1231 CA VAL A 79 9.384 -5.367 -1.766 1.00 0.00 C ATOM 1232 C VAL A 79 8.616 -6.684 -1.777 1.00 0.00 C ATOM 1233 O VAL A 79 7.817 -6.946 -2.676 1.00 0.00 O ATOM 1234 CB VAL A 79 10.756 -5.561 -2.441 1.00 0.00 C ATOM 1235 CG1 VAL A 79 11.419 -6.856 -1.934 1.00 0.00 C ATOM 1236 CG2 VAL A 79 10.569 -5.645 -3.962 1.00 0.00 C ATOM 0 H VAL A 79 10.537 -4.777 -0.108 1.00 0.00 H new ATOM 0 HA VAL A 79 8.814 -4.619 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 79 11.396 -4.714 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.388 -6.982 -2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 79 11.558 -6.795 -0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.781 -7.708 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.539 -5.782 -4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 79 9.923 -6.489 -4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 79 10.113 -4.724 -4.324 1.00 0.00 H new ATOM 1246 N LYS A 80 8.873 -7.512 -0.775 1.00 0.00 N ATOM 1247 CA LYS A 80 8.202 -8.797 -0.680 1.00 0.00 C ATOM 1248 C LYS A 80 6.712 -8.604 -0.436 1.00 0.00 C ATOM 1249 O LYS A 80 5.879 -9.231 -1.092 1.00 0.00 O ATOM 1250 CB LYS A 80 8.815 -9.631 0.455 1.00 0.00 C ATOM 1251 CG LYS A 80 8.169 -11.050 0.498 1.00 0.00 C ATOM 1252 CD LYS A 80 9.223 -12.127 0.177 1.00 0.00 C ATOM 1253 CE LYS A 80 10.163 -12.325 1.382 1.00 0.00 C ATOM 1254 NZ LYS A 80 11.526 -12.682 0.896 1.00 0.00 N ATOM 0 H LYS A 80 9.535 -7.319 -0.024 1.00 0.00 H new ATOM 0 HA LYS A 80 8.335 -9.327 -1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.892 -9.719 0.309 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.663 -9.126 1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.741 -11.233 1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.351 -11.107 -0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.730 -13.068 -0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.800 -11.832 -0.699 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.205 -11.413 1.978 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.779 -13.112 2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.161 -12.816 1.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.479 -13.563 0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.891 -11.917 0.294 1.00 0.00 H new ATOM 1268 N LYS A 81 6.375 -7.729 0.513 1.00 0.00 N ATOM 1269 CA LYS A 81 4.973 -7.461 0.839 1.00 0.00 C ATOM 1270 C LYS A 81 4.472 -6.221 0.097 1.00 0.00 C ATOM 1271 O LYS A 81 4.890 -6.018 -1.031 1.00 0.00 O ATOM 1272 CB LYS A 81 4.817 -7.259 2.364 1.00 0.00 C ATOM 1273 CG LYS A 81 3.420 -7.709 2.826 1.00 0.00 C ATOM 1274 CD LYS A 81 3.323 -7.663 4.371 1.00 0.00 C ATOM 1275 CE LYS A 81 3.692 -9.027 4.974 1.00 0.00 C ATOM 1276 NZ LYS A 81 2.829 -10.085 4.373 1.00 0.00 N ATOM 1277 OXT LYS A 81 3.678 -5.495 0.672 1.00 0.00 O ATOM 0 H LYS A 81 7.048 -7.197 1.066 1.00 0.00 H new ATOM 0 HA LYS A 81 4.376 -8.317 0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.582 -7.828 2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.969 -6.209 2.615 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.659 -7.063 2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.221 -8.721 2.472 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.990 -6.894 4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.311 -7.388 4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.742 -9.248 4.785 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.560 -9.006 6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.479 -10.715 5.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.023 -9.642 3.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.383 -10.638 3.688 1.00 0.00 H new