USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 666 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 10 THR OG1 : rot -8:sc= 0.611 USER MOD Set 1.2: A 88 THR OG1 : rot 103:sc= 0.00785 USER MOD Single : A 4 THR OG1 : rot -30:sc= -5.09! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0267 USER MOD Single : A 9 MET CE :methyl -135:sc= -0.0333 (180deg=-0.415) USER MOD Single : A -1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.27 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -122:sc= -0.896 USER MOD Single : A 23 THR OG1 : rot -28:sc= 0.414 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 32 THR OG1 : rot 125:sc= 0.0461 USER MOD Single : A 36 LYS NZ :NH3+ 142:sc= 0.167 (180deg=-0.579) USER MOD Single : A 38 GLN : amide:sc= -0.012 X(o=-0.012,f=-0.16) USER MOD Single : A 41 SER OG : rot -93:sc= 0.96 USER MOD Single : A 42 THR OG1 : rot 71:sc= 1.1 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0365 USER MOD Single : A 46 HIS : no HE2:sc= -19.5! C(o=-19!,f=-19!) USER MOD Single : A 47 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.09) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 86:sc= 0.829 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -0:sc= -4.88! USER MOD Single : A 56 THR OG1 : rot 180:sc= -5.74! USER MOD Single : A 60 SER OG : rot 180:sc= -0.66 USER MOD Single : A 61 SER OG : rot 61:sc= 0.387 USER MOD Single : A 69 ASN : amide:sc= -4.11! C(o=-4.1!,f=-7.6!) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.186 USER MOD Single : A 71 SER OG : rot 75:sc= -0.578 USER MOD Single : A 76 ASN : amide:sc= -5.76! C(o=-5.8!,f=-4.9!) USER MOD Single : A 77 SER OG : rot -86:sc= 0.934 USER MOD Single : A 80 LYS NZ :NH3+ 162:sc= -1.71! (180deg=-1.8!) USER MOD Single : A 81 GLN : amide:sc= -2.02 K(o=-2,f=-2.6!) USER MOD Single : A 86 THR OG1 : rot 29:sc= 0.427 USER MOD ----------------------------------------------------------------- ATOM 81 N ALA A -1 19.438 0.551 6.673 1.00 0.00 N ATOM 82 CA ALA A -1 18.399 -0.506 6.532 1.00 0.00 C ATOM 83 C ALA A -1 17.195 0.040 5.739 1.00 0.00 C ATOM 84 O ALA A -1 17.356 0.610 4.678 1.00 0.00 O ATOM 85 CB ALA A -1 18.017 -0.849 7.975 1.00 0.00 C ATOM 0 H1 ALA A -1 20.246 0.174 7.209 1.00 0.00 H new ATOM 0 H2 ALA A -1 19.758 0.852 5.730 1.00 0.00 H new ATOM 0 H3 ALA A -1 19.037 1.367 7.179 1.00 0.00 H new ATOM 0 HA ALA A -1 18.746 -1.383 5.986 1.00 0.00 H new ATOM 0 HB1 ALA A -1 17.251 -1.625 7.974 1.00 0.00 H new ATOM 0 HB2 ALA A -1 18.897 -1.208 8.509 1.00 0.00 H new ATOM 0 HB3 ALA A -1 17.631 0.042 8.471 1.00 0.00 H new ATOM 91 N ALA A 0 15.995 -0.127 6.239 1.00 0.00 N ATOM 92 CA ALA A 0 14.795 0.381 5.516 1.00 0.00 C ATOM 93 C ALA A 0 13.703 0.735 6.531 1.00 0.00 C ATOM 94 O ALA A 0 13.251 -0.104 7.284 1.00 0.00 O ATOM 95 CB ALA A 0 14.348 -0.777 4.623 1.00 0.00 C ATOM 0 H ALA A 0 15.798 -0.597 7.123 1.00 0.00 H new ATOM 0 HA ALA A 0 15.002 1.278 4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 0 13.466 -0.480 4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 0 15.152 -1.036 3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 0 14.107 -1.642 5.242 1.00 0.00 H new ATOM 101 N ARG A 1 13.283 1.970 6.566 1.00 0.00 N ATOM 102 CA ARG A 1 12.230 2.369 7.544 1.00 0.00 C ATOM 103 C ARG A 1 11.185 3.264 6.874 1.00 0.00 C ATOM 104 O ARG A 1 11.467 3.963 5.920 1.00 0.00 O ATOM 105 CB ARG A 1 12.976 3.145 8.630 1.00 0.00 C ATOM 106 CG ARG A 1 13.739 4.307 7.991 1.00 0.00 C ATOM 107 CD ARG A 1 14.036 5.371 9.050 1.00 0.00 C ATOM 108 NE ARG A 1 15.368 5.920 8.675 1.00 0.00 N ATOM 109 CZ ARG A 1 16.106 6.517 9.572 1.00 0.00 C ATOM 110 NH1 ARG A 1 16.311 5.952 10.730 1.00 0.00 N ATOM 111 NH2 ARG A 1 16.638 7.680 9.309 1.00 0.00 N ATOM 0 H ARG A 1 13.622 2.719 5.962 1.00 0.00 H new ATOM 0 HA ARG A 1 11.696 1.507 7.944 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.272 3.522 9.372 1.00 0.00 H new ATOM 0 HB3 ARG A 1 13.668 2.485 9.154 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.669 3.947 7.552 1.00 0.00 H new ATOM 0 HG3 ARG A 1 13.151 4.740 7.181 1.00 0.00 H new ATOM 0 HD2 ARG A 1 13.274 6.150 9.053 1.00 0.00 H new ATOM 0 HD3 ARG A 1 14.054 4.939 10.051 1.00 0.00 H new ATOM 0 HE ARG A 1 15.705 5.830 7.716 1.00 0.00 H new ATOM 0 HH11 ARG A 1 15.895 5.044 10.935 1.00 0.00 H new ATOM 0 HH12 ARG A 1 16.887 6.419 11.430 1.00 0.00 H new ATOM 0 HH21 ARG A 1 16.477 8.121 8.404 1.00 0.00 H new ATOM 0 HH22 ARG A 1 17.215 8.147 10.009 1.00 0.00 H new ATOM 125 N ILE A 2 9.979 3.249 7.371 1.00 0.00 N ATOM 126 CA ILE A 2 8.910 4.096 6.773 1.00 0.00 C ATOM 127 C ILE A 2 8.840 5.449 7.490 1.00 0.00 C ATOM 128 O ILE A 2 8.688 5.523 8.693 1.00 0.00 O ATOM 129 CB ILE A 2 7.617 3.299 6.975 1.00 0.00 C ATOM 130 CG1 ILE A 2 7.638 2.066 6.070 1.00 0.00 C ATOM 131 CG2 ILE A 2 6.405 4.163 6.615 1.00 0.00 C ATOM 132 CD1 ILE A 2 6.416 1.197 6.359 1.00 0.00 C ATOM 0 H ILE A 2 9.687 2.684 8.169 1.00 0.00 H new ATOM 0 HA ILE A 2 9.091 4.313 5.720 1.00 0.00 H new ATOM 0 HB ILE A 2 7.545 2.996 8.019 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.641 2.371 5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.551 1.495 6.238 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.491 3.587 6.762 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.385 5.046 7.254 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.475 4.472 5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.433 0.319 5.713 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.433 0.881 7.402 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.509 1.770 6.168 1.00 0.00 H new ATOM 144 N LEU A 3 8.945 6.515 6.748 1.00 0.00 N ATOM 145 CA LEU A 3 8.881 7.874 7.355 1.00 0.00 C ATOM 146 C LEU A 3 7.425 8.346 7.401 1.00 0.00 C ATOM 147 O LEU A 3 7.022 9.091 8.273 1.00 0.00 O ATOM 148 CB LEU A 3 9.707 8.738 6.402 1.00 0.00 C ATOM 149 CG LEU A 3 9.594 10.208 6.796 1.00 0.00 C ATOM 150 CD1 LEU A 3 10.913 10.912 6.477 1.00 0.00 C ATOM 151 CD2 LEU A 3 8.460 10.858 5.999 1.00 0.00 C ATOM 0 H LEU A 3 9.074 6.503 5.736 1.00 0.00 H new ATOM 0 HA LEU A 3 9.257 7.914 8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.751 8.426 6.428 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.358 8.600 5.379 1.00 0.00 H new ATOM 0 HG LEU A 3 9.382 10.292 7.862 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.841 11.963 6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.721 10.443 7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.119 10.833 5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.375 11.909 6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.674 10.781 4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.522 10.348 6.219 1.00 0.00 H new ATOM 163 N THR A 4 6.639 7.893 6.470 1.00 0.00 N ATOM 164 CA THR A 4 5.198 8.270 6.428 1.00 0.00 C ATOM 165 C THR A 4 4.384 7.061 5.965 1.00 0.00 C ATOM 166 O THR A 4 4.860 6.243 5.202 1.00 0.00 O ATOM 167 CB THR A 4 5.101 9.406 5.408 1.00 0.00 C ATOM 168 OG1 THR A 4 5.814 10.534 5.889 1.00 0.00 O ATOM 169 CG2 THR A 4 3.633 9.781 5.200 1.00 0.00 C ATOM 0 H THR A 4 6.937 7.266 5.722 1.00 0.00 H new ATOM 0 HA THR A 4 4.815 8.581 7.400 1.00 0.00 H new ATOM 0 HB THR A 4 5.530 9.081 4.460 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.790 10.543 6.869 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.564 10.590 4.473 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.085 8.914 4.831 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.203 10.106 6.147 1.00 0.00 H new ATOM 177 N LYS A 5 3.172 6.928 6.420 1.00 0.00 N ATOM 178 CA LYS A 5 2.356 5.762 6.005 1.00 0.00 C ATOM 179 C LYS A 5 1.092 6.224 5.269 1.00 0.00 C ATOM 180 O LYS A 5 0.787 7.400 5.235 1.00 0.00 O ATOM 181 CB LYS A 5 1.990 5.064 7.316 1.00 0.00 C ATOM 182 CG LYS A 5 3.255 4.493 7.964 1.00 0.00 C ATOM 183 CD LYS A 5 3.799 5.490 8.989 1.00 0.00 C ATOM 184 CE LYS A 5 3.566 4.947 10.401 1.00 0.00 C ATOM 185 NZ LYS A 5 4.722 4.046 10.662 1.00 0.00 N ATOM 0 H LYS A 5 2.713 7.576 7.060 1.00 0.00 H new ATOM 0 HA LYS A 5 2.891 5.104 5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.509 5.769 7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.274 4.265 7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.031 3.543 8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.008 4.292 7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.863 5.655 8.822 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.305 6.454 8.872 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.522 5.754 11.132 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.622 4.406 10.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.634 3.634 11.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.735 3.284 9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.607 4.590 10.601 1.00 0.00 H new ATOM 199 N PRO A 6 0.396 5.272 4.701 1.00 0.00 N ATOM 200 CA PRO A 6 -0.844 5.568 3.962 1.00 0.00 C ATOM 201 C PRO A 6 -2.037 5.566 4.921 1.00 0.00 C ATOM 202 O PRO A 6 -2.055 4.847 5.900 1.00 0.00 O ATOM 203 CB PRO A 6 -0.945 4.411 2.970 1.00 0.00 C ATOM 204 CG PRO A 6 -0.167 3.278 3.585 1.00 0.00 C ATOM 205 CD PRO A 6 0.696 3.840 4.694 1.00 0.00 C ATOM 0 HA PRO A 6 -0.840 6.543 3.476 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.984 4.127 2.804 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.531 4.689 2.001 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.846 2.521 3.979 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.452 2.790 2.832 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.459 3.380 5.653 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.754 3.657 4.505 1.00 0.00 H new ATOM 213 N ARG A 7 -3.035 6.357 4.647 1.00 0.00 N ATOM 214 CA ARG A 7 -4.222 6.388 5.547 1.00 0.00 C ATOM 215 C ARG A 7 -5.245 5.348 5.090 1.00 0.00 C ATOM 216 O ARG A 7 -5.042 4.654 4.115 1.00 0.00 O ATOM 217 CB ARG A 7 -4.791 7.800 5.406 1.00 0.00 C ATOM 218 CG ARG A 7 -4.180 8.706 6.478 1.00 0.00 C ATOM 219 CD ARG A 7 -4.701 10.133 6.297 1.00 0.00 C ATOM 220 NE ARG A 7 -5.548 10.389 7.496 1.00 0.00 N ATOM 221 CZ ARG A 7 -6.114 11.553 7.658 1.00 0.00 C ATOM 222 NH1 ARG A 7 -5.383 12.632 7.709 1.00 0.00 N ATOM 223 NH2 ARG A 7 -7.411 11.637 7.770 1.00 0.00 N ATOM 0 H ARG A 7 -3.081 6.982 3.842 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.968 6.157 6.581 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.572 8.194 4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -5.876 7.778 5.508 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.437 8.337 7.471 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.093 8.692 6.404 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.880 10.848 6.233 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.279 10.229 5.378 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.685 9.654 8.190 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.369 12.566 7.622 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.825 13.542 7.836 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.982 10.793 7.731 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.854 12.547 7.897 1.00 0.00 H new ATOM 237 N SER A 8 -6.341 5.228 5.783 1.00 0.00 N ATOM 238 CA SER A 8 -7.363 4.229 5.376 1.00 0.00 C ATOM 239 C SER A 8 -8.562 4.932 4.737 1.00 0.00 C ATOM 240 O SER A 8 -8.565 6.132 4.547 1.00 0.00 O ATOM 241 CB SER A 8 -7.779 3.536 6.670 1.00 0.00 C ATOM 242 OG SER A 8 -6.665 3.463 7.549 1.00 0.00 O ATOM 0 H SER A 8 -6.572 5.777 6.611 1.00 0.00 H new ATOM 0 HA SER A 8 -6.978 3.522 4.641 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.593 4.085 7.143 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.152 2.535 6.455 1.00 0.00 H new ATOM 0 HG SER A 8 -6.933 3.019 8.381 1.00 0.00 H new ATOM 248 N MET A 9 -9.576 4.188 4.407 1.00 0.00 N ATOM 249 CA MET A 9 -10.781 4.792 3.781 1.00 0.00 C ATOM 250 C MET A 9 -11.868 3.732 3.638 1.00 0.00 C ATOM 251 O MET A 9 -11.658 2.569 3.920 1.00 0.00 O ATOM 252 CB MET A 9 -10.317 5.267 2.412 1.00 0.00 C ATOM 253 CG MET A 9 -10.999 6.586 2.060 1.00 0.00 C ATOM 254 SD MET A 9 -10.502 7.871 3.235 1.00 0.00 S ATOM 255 CE MET A 9 -8.934 8.309 2.447 1.00 0.00 C ATOM 0 H MET A 9 -9.622 3.178 4.545 1.00 0.00 H new ATOM 0 HA MET A 9 -11.197 5.608 4.372 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.235 5.396 2.410 1.00 0.00 H new ATOM 0 HB3 MET A 9 -10.550 4.515 1.658 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.731 6.885 1.047 1.00 0.00 H new ATOM 0 HG3 MET A 9 -12.082 6.462 2.080 1.00 0.00 H new ATOM 0 HE1 MET A 9 -8.157 8.395 3.206 1.00 0.00 H new ATOM 0 HE2 MET A 9 -8.658 7.535 1.731 1.00 0.00 H new ATOM 0 HE3 MET A 9 -9.041 9.262 1.928 1.00 0.00 H new ATOM 265 N THR A 10 -13.027 4.122 3.206 1.00 0.00 N ATOM 266 CA THR A 10 -14.127 3.125 3.050 1.00 0.00 C ATOM 267 C THR A 10 -15.113 3.549 1.961 1.00 0.00 C ATOM 268 O THR A 10 -15.609 4.658 1.944 1.00 0.00 O ATOM 269 CB THR A 10 -14.812 3.072 4.418 1.00 0.00 C ATOM 270 OG1 THR A 10 -13.913 2.522 5.370 1.00 0.00 O ATOM 271 CG2 THR A 10 -16.067 2.198 4.340 1.00 0.00 C ATOM 0 H THR A 10 -13.266 5.081 2.954 1.00 0.00 H new ATOM 0 HA THR A 10 -13.747 2.150 2.744 1.00 0.00 H new ATOM 0 HB THR A 10 -15.097 4.081 4.718 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.114 2.189 4.911 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.549 2.165 5.317 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.758 2.618 3.609 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.789 1.188 4.039 1.00 0.00 H new ATOM 279 N VAL A 11 -15.407 2.654 1.066 1.00 0.00 N ATOM 280 CA VAL A 11 -16.365 2.951 -0.022 1.00 0.00 C ATOM 281 C VAL A 11 -17.058 1.652 -0.429 1.00 0.00 C ATOM 282 O VAL A 11 -17.101 0.705 0.326 1.00 0.00 O ATOM 283 CB VAL A 11 -15.502 3.473 -1.161 1.00 0.00 C ATOM 284 CG1 VAL A 11 -14.778 4.745 -0.723 1.00 0.00 C ATOM 285 CG2 VAL A 11 -14.474 2.412 -1.535 1.00 0.00 C ATOM 0 H VAL A 11 -15.015 1.712 1.044 1.00 0.00 H new ATOM 0 HA VAL A 11 -17.136 3.668 0.261 1.00 0.00 H new ATOM 0 HB VAL A 11 -16.134 3.698 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -14.162 5.114 -1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -15.510 5.505 -0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.145 4.526 0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -13.852 2.780 -2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.847 2.193 -0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -14.987 1.504 -1.851 1.00 0.00 H new ATOM 295 N TYR A 12 -17.567 1.584 -1.624 1.00 0.00 N ATOM 296 CA TYR A 12 -18.214 0.325 -2.087 1.00 0.00 C ATOM 297 C TYR A 12 -17.276 -0.357 -3.076 1.00 0.00 C ATOM 298 O TYR A 12 -17.238 -1.566 -3.199 1.00 0.00 O ATOM 299 CB TYR A 12 -19.497 0.765 -2.778 1.00 0.00 C ATOM 300 CG TYR A 12 -20.554 -0.298 -2.596 1.00 0.00 C ATOM 301 CD1 TYR A 12 -20.456 -1.508 -3.293 1.00 0.00 C ATOM 302 CD2 TYR A 12 -21.631 -0.075 -1.730 1.00 0.00 C ATOM 303 CE1 TYR A 12 -21.434 -2.495 -3.124 1.00 0.00 C ATOM 304 CE2 TYR A 12 -22.610 -1.062 -1.561 1.00 0.00 C ATOM 305 CZ TYR A 12 -22.511 -2.272 -2.258 1.00 0.00 C ATOM 306 OH TYR A 12 -23.474 -3.246 -2.092 1.00 0.00 O ATOM 0 H TYR A 12 -17.564 2.346 -2.302 1.00 0.00 H new ATOM 0 HA TYR A 12 -18.425 -0.376 -1.279 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -19.842 1.711 -2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -19.313 0.932 -3.839 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -19.625 -1.680 -3.961 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -21.707 0.858 -1.192 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -21.358 -3.429 -3.662 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -23.441 -0.890 -0.893 1.00 0.00 H new ATOM 0 HH TYR A 12 -24.151 -2.932 -1.456 1.00 0.00 H new ATOM 316 N GLU A 13 -16.504 0.429 -3.770 1.00 0.00 N ATOM 317 CA GLU A 13 -15.534 -0.130 -4.747 1.00 0.00 C ATOM 318 C GLU A 13 -14.280 0.758 -4.757 1.00 0.00 C ATOM 319 O GLU A 13 -13.740 1.073 -3.717 1.00 0.00 O ATOM 320 CB GLU A 13 -16.266 -0.110 -6.094 1.00 0.00 C ATOM 321 CG GLU A 13 -16.594 1.332 -6.489 1.00 0.00 C ATOM 322 CD GLU A 13 -16.263 1.544 -7.968 1.00 0.00 C ATOM 323 OE1 GLU A 13 -17.000 1.037 -8.798 1.00 0.00 O ATOM 324 OE2 GLU A 13 -15.277 2.206 -8.247 1.00 0.00 O ATOM 0 H GLU A 13 -16.505 1.447 -3.700 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.205 -1.142 -4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.646 -0.574 -6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.183 -0.695 -6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.649 1.539 -6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.023 2.028 -5.874 1.00 0.00 H new ATOM 331 N GLY A 14 -13.817 1.186 -5.901 1.00 0.00 N ATOM 332 CA GLY A 14 -12.617 2.069 -5.920 1.00 0.00 C ATOM 333 C GLY A 14 -13.074 3.506 -6.167 1.00 0.00 C ATOM 334 O GLY A 14 -12.610 4.172 -7.071 1.00 0.00 O ATOM 0 H GLY A 14 -14.214 0.965 -6.814 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.081 2.000 -4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.926 1.752 -6.701 1.00 0.00 H new ATOM 338 N GLU A 15 -13.994 3.981 -5.367 1.00 0.00 N ATOM 339 CA GLU A 15 -14.512 5.373 -5.536 1.00 0.00 C ATOM 340 C GLU A 15 -13.365 6.362 -5.747 1.00 0.00 C ATOM 341 O GLU A 15 -13.115 6.818 -6.845 1.00 0.00 O ATOM 342 CB GLU A 15 -15.244 5.676 -4.228 1.00 0.00 C ATOM 343 CG GLU A 15 -16.742 5.832 -4.504 1.00 0.00 C ATOM 344 CD GLU A 15 -16.993 7.142 -5.260 1.00 0.00 C ATOM 345 OE1 GLU A 15 -16.029 7.821 -5.575 1.00 0.00 O ATOM 346 OE2 GLU A 15 -18.148 7.442 -5.513 1.00 0.00 O ATOM 0 H GLU A 15 -14.412 3.459 -4.597 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.160 5.464 -6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.077 4.872 -3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.849 6.588 -3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -17.104 4.987 -5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -17.297 5.830 -3.566 1.00 0.00 H new ATOM 353 N SER A 16 -12.670 6.698 -4.702 1.00 0.00 N ATOM 354 CA SER A 16 -11.538 7.660 -4.835 1.00 0.00 C ATOM 355 C SER A 16 -10.628 7.571 -3.610 1.00 0.00 C ATOM 356 O SER A 16 -10.203 8.569 -3.065 1.00 0.00 O ATOM 357 CB SER A 16 -12.175 9.052 -4.930 1.00 0.00 C ATOM 358 OG SER A 16 -13.579 8.968 -4.712 1.00 0.00 O ATOM 0 H SER A 16 -12.834 6.349 -3.758 1.00 0.00 H new ATOM 0 HA SER A 16 -10.926 7.444 -5.711 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.725 9.717 -4.193 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.978 9.484 -5.911 1.00 0.00 H new ATOM 0 HG SER A 16 -13.974 9.863 -4.774 1.00 0.00 H new ATOM 364 N ALA A 17 -10.326 6.379 -3.174 1.00 0.00 N ATOM 365 CA ALA A 17 -9.443 6.220 -1.985 1.00 0.00 C ATOM 366 C ALA A 17 -7.977 6.137 -2.421 1.00 0.00 C ATOM 367 O ALA A 17 -7.496 5.093 -2.814 1.00 0.00 O ATOM 368 CB ALA A 17 -9.883 4.907 -1.338 1.00 0.00 C ATOM 0 H ALA A 17 -10.653 5.507 -3.591 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.523 7.061 -1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.278 4.718 -0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.933 4.976 -1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.753 4.090 -2.048 1.00 0.00 H new ATOM 374 N ARG A 18 -7.264 7.229 -2.351 1.00 0.00 N ATOM 375 CA ARG A 18 -5.828 7.210 -2.756 1.00 0.00 C ATOM 376 C ARG A 18 -4.941 7.245 -1.508 1.00 0.00 C ATOM 377 O ARG A 18 -5.347 7.713 -0.463 1.00 0.00 O ATOM 378 CB ARG A 18 -5.637 8.475 -3.594 1.00 0.00 C ATOM 379 CG ARG A 18 -4.159 8.636 -3.954 1.00 0.00 C ATOM 380 CD ARG A 18 -4.035 9.351 -5.303 1.00 0.00 C ATOM 381 NE ARG A 18 -4.780 10.629 -5.130 1.00 0.00 N ATOM 382 CZ ARG A 18 -4.132 11.735 -4.884 1.00 0.00 C ATOM 383 NH1 ARG A 18 -3.666 11.964 -3.687 1.00 0.00 N ATOM 384 NH2 ARG A 18 -3.949 12.610 -5.834 1.00 0.00 N ATOM 0 H ARG A 18 -7.613 8.133 -2.031 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.560 6.314 -3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.238 8.416 -4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.983 9.347 -3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.646 9.206 -3.180 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.677 7.659 -4.003 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.991 9.534 -5.559 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.460 8.752 -6.108 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.797 10.640 -5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.808 11.279 -2.945 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.159 12.828 -3.494 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.312 12.430 -6.770 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.443 13.474 -5.641 1.00 0.00 H new ATOM 398 N PHE A 19 -3.737 6.743 -1.600 1.00 0.00 N ATOM 399 CA PHE A 19 -2.840 6.743 -0.399 1.00 0.00 C ATOM 400 C PHE A 19 -1.369 6.846 -0.804 1.00 0.00 C ATOM 401 O PHE A 19 -1.002 6.593 -1.932 1.00 0.00 O ATOM 402 CB PHE A 19 -3.073 5.393 0.290 1.00 0.00 C ATOM 403 CG PHE A 19 -4.548 5.153 0.475 1.00 0.00 C ATOM 404 CD1 PHE A 19 -5.187 5.603 1.631 1.00 0.00 C ATOM 405 CD2 PHE A 19 -5.274 4.488 -0.515 1.00 0.00 C ATOM 406 CE1 PHE A 19 -6.556 5.384 1.800 1.00 0.00 C ATOM 407 CE2 PHE A 19 -6.644 4.271 -0.351 1.00 0.00 C ATOM 408 CZ PHE A 19 -7.286 4.721 0.808 1.00 0.00 C ATOM 0 H PHE A 19 -3.336 6.336 -2.445 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.061 7.593 0.246 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.639 4.591 -0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.570 5.378 1.257 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.624 6.120 2.394 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.776 4.141 -1.408 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.051 5.727 2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.206 3.757 -1.117 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.346 4.556 0.937 1.00 0.00 H new ATOM 418 N SER A 20 -0.522 7.198 0.124 1.00 0.00 N ATOM 419 CA SER A 20 0.932 7.286 -0.183 1.00 0.00 C ATOM 420 C SER A 20 1.750 7.043 1.078 1.00 0.00 C ATOM 421 O SER A 20 1.495 7.618 2.117 1.00 0.00 O ATOM 422 CB SER A 20 1.170 8.695 -0.704 1.00 0.00 C ATOM 423 OG SER A 20 2.531 9.048 -0.488 1.00 0.00 O ATOM 0 H SER A 20 -0.776 7.429 1.084 1.00 0.00 H new ATOM 0 HA SER A 20 1.232 6.537 -0.916 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.932 8.748 -1.766 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.513 9.400 -0.194 1.00 0.00 H new ATOM 0 HG SER A 20 2.691 9.955 -0.823 1.00 0.00 H new ATOM 429 N CYS A 21 2.743 6.213 0.993 1.00 0.00 N ATOM 430 CA CYS A 21 3.591 5.952 2.183 1.00 0.00 C ATOM 431 C CYS A 21 5.049 6.223 1.824 1.00 0.00 C ATOM 432 O CYS A 21 5.590 5.630 0.918 1.00 0.00 O ATOM 433 CB CYS A 21 3.376 4.480 2.514 1.00 0.00 C ATOM 434 SG CYS A 21 3.768 3.460 1.071 1.00 0.00 S ATOM 0 H CYS A 21 3.006 5.702 0.150 1.00 0.00 H new ATOM 0 HA CYS A 21 3.339 6.587 3.033 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.006 4.192 3.356 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.342 4.314 2.818 1.00 0.00 H new ATOM 0 HG CYS A 21 2.729 2.748 0.748 1.00 0.00 H new ATOM 440 N ASP A 22 5.693 7.119 2.512 1.00 0.00 N ATOM 441 CA ASP A 22 7.113 7.415 2.175 1.00 0.00 C ATOM 442 C ASP A 22 8.038 6.547 3.021 1.00 0.00 C ATOM 443 O ASP A 22 7.719 6.191 4.133 1.00 0.00 O ATOM 444 CB ASP A 22 7.316 8.896 2.498 1.00 0.00 C ATOM 445 CG ASP A 22 6.188 9.732 1.878 1.00 0.00 C ATOM 446 OD1 ASP A 22 5.438 9.186 1.083 1.00 0.00 O ATOM 447 OD2 ASP A 22 6.095 10.903 2.209 1.00 0.00 O ATOM 0 H ASP A 22 5.304 7.656 3.287 1.00 0.00 H new ATOM 0 HA ASP A 22 7.339 7.204 1.130 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.335 9.041 3.578 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.280 9.231 2.115 1.00 0.00 H new ATOM 452 N THR A 23 9.177 6.192 2.502 1.00 0.00 N ATOM 453 CA THR A 23 10.121 5.339 3.283 1.00 0.00 C ATOM 454 C THR A 23 11.559 5.640 2.865 1.00 0.00 C ATOM 455 O THR A 23 11.873 5.730 1.699 1.00 0.00 O ATOM 456 CB THR A 23 9.783 3.875 2.954 1.00 0.00 C ATOM 457 OG1 THR A 23 10.390 3.515 1.722 1.00 0.00 O ATOM 458 CG2 THR A 23 8.269 3.673 2.855 1.00 0.00 C ATOM 0 H THR A 23 9.499 6.454 1.570 1.00 0.00 H new ATOM 0 HA THR A 23 10.027 5.533 4.351 1.00 0.00 H new ATOM 0 HB THR A 23 10.165 3.243 3.756 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.480 4.311 1.157 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.056 2.630 2.622 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.804 3.935 3.806 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.868 4.311 2.067 1.00 0.00 H new ATOM 466 N ASP A 24 12.434 5.780 3.809 1.00 0.00 N ATOM 467 CA ASP A 24 13.859 6.060 3.470 1.00 0.00 C ATOM 468 C ASP A 24 14.680 4.777 3.608 1.00 0.00 C ATOM 469 O ASP A 24 14.432 3.969 4.476 1.00 0.00 O ATOM 470 CB ASP A 24 14.312 7.097 4.490 1.00 0.00 C ATOM 471 CG ASP A 24 13.361 8.296 4.470 1.00 0.00 C ATOM 472 OD1 ASP A 24 12.640 8.440 3.497 1.00 0.00 O ATOM 473 OD2 ASP A 24 13.371 9.051 5.429 1.00 0.00 O ATOM 0 H ASP A 24 12.230 5.714 4.806 1.00 0.00 H new ATOM 0 HA ASP A 24 13.985 6.418 2.448 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.333 6.655 5.486 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.327 7.423 4.264 1.00 0.00 H new ATOM 478 N GLY A 25 15.650 4.579 2.763 1.00 0.00 N ATOM 479 CA GLY A 25 16.471 3.339 2.861 1.00 0.00 C ATOM 480 C GLY A 25 17.676 3.436 1.924 1.00 0.00 C ATOM 481 O GLY A 25 17.719 4.260 1.032 1.00 0.00 O ATOM 0 H GLY A 25 15.911 5.218 2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.808 3.196 3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.866 2.471 2.601 1.00 0.00 H new ATOM 485 N GLU A 26 18.657 2.596 2.119 1.00 0.00 N ATOM 486 CA GLU A 26 19.860 2.636 1.239 1.00 0.00 C ATOM 487 C GLU A 26 20.127 1.236 0.643 1.00 0.00 C ATOM 488 O GLU A 26 20.078 0.257 1.364 1.00 0.00 O ATOM 489 CB GLU A 26 21.007 3.053 2.158 1.00 0.00 C ATOM 490 CG GLU A 26 22.099 3.735 1.331 1.00 0.00 C ATOM 491 CD GLU A 26 21.619 5.122 0.897 1.00 0.00 C ATOM 492 OE1 GLU A 26 20.952 5.205 -0.121 1.00 0.00 O ATOM 493 OE2 GLU A 26 21.926 6.076 1.592 1.00 0.00 O ATOM 0 H GLU A 26 18.677 1.884 2.849 1.00 0.00 H new ATOM 0 HA GLU A 26 19.739 3.322 0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 26 20.642 3.732 2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.414 2.180 2.669 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.013 3.822 1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 26 22.338 3.131 0.456 1.00 0.00 H new ATOM 500 N PRO A 27 20.401 1.163 -0.651 1.00 0.00 N ATOM 501 CA PRO A 27 20.460 2.365 -1.530 1.00 0.00 C ATOM 502 C PRO A 27 19.054 2.895 -1.798 1.00 0.00 C ATOM 503 O PRO A 27 18.811 4.086 -1.795 1.00 0.00 O ATOM 504 CB PRO A 27 21.101 1.848 -2.814 1.00 0.00 C ATOM 505 CG PRO A 27 20.799 0.385 -2.834 1.00 0.00 C ATOM 506 CD PRO A 27 20.676 -0.069 -1.401 1.00 0.00 C ATOM 0 HA PRO A 27 21.019 3.190 -1.088 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.689 2.348 -3.690 1.00 0.00 H new ATOM 0 HB3 PRO A 27 22.176 2.029 -2.820 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.875 0.191 -3.379 1.00 0.00 H new ATOM 0 HG3 PRO A 27 21.591 -0.164 -3.344 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.872 -0.795 -1.282 1.00 0.00 H new ATOM 0 HD3 PRO A 27 21.592 -0.548 -1.056 1.00 0.00 H new ATOM 514 N VAL A 28 18.130 2.015 -2.025 1.00 0.00 N ATOM 515 CA VAL A 28 16.734 2.438 -2.288 1.00 0.00 C ATOM 516 C VAL A 28 15.758 1.478 -1.583 1.00 0.00 C ATOM 517 O VAL A 28 15.844 0.280 -1.757 1.00 0.00 O ATOM 518 CB VAL A 28 16.587 2.349 -3.805 1.00 0.00 C ATOM 519 CG1 VAL A 28 15.129 2.585 -4.187 1.00 0.00 C ATOM 520 CG2 VAL A 28 17.462 3.417 -4.463 1.00 0.00 C ATOM 0 H VAL A 28 18.284 1.007 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 28 16.515 3.439 -1.917 1.00 0.00 H new ATOM 0 HB VAL A 28 16.898 1.361 -4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.022 2.522 -5.270 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.502 1.828 -3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.820 3.574 -3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.359 3.355 -5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 28 17.148 4.404 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 28 18.504 3.254 -4.188 1.00 0.00 H new ATOM 530 N PRO A 29 14.859 2.033 -0.806 1.00 0.00 N ATOM 531 CA PRO A 29 13.874 1.200 -0.073 1.00 0.00 C ATOM 532 C PRO A 29 12.837 0.624 -1.039 1.00 0.00 C ATOM 533 O PRO A 29 12.714 1.060 -2.167 1.00 0.00 O ATOM 534 CB PRO A 29 13.215 2.185 0.886 1.00 0.00 C ATOM 535 CG PRO A 29 13.389 3.523 0.248 1.00 0.00 C ATOM 536 CD PRO A 29 14.666 3.463 -0.545 1.00 0.00 C ATOM 0 HA PRO A 29 14.330 0.350 0.435 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.160 1.950 1.029 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.685 2.153 1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.543 3.756 -0.399 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.439 4.308 1.003 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.586 4.030 -1.472 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.502 3.882 0.014 1.00 0.00 H new ATOM 544 N THR A 30 12.080 -0.340 -0.600 1.00 0.00 N ATOM 545 CA THR A 30 11.038 -0.931 -1.490 1.00 0.00 C ATOM 546 C THR A 30 9.676 -0.881 -0.791 1.00 0.00 C ATOM 547 O THR A 30 9.545 -0.337 0.286 1.00 0.00 O ATOM 548 CB THR A 30 11.486 -2.380 -1.748 1.00 0.00 C ATOM 549 OG1 THR A 30 10.721 -2.927 -2.818 1.00 0.00 O ATOM 550 CG2 THR A 30 11.303 -3.235 -0.487 1.00 0.00 C ATOM 0 H THR A 30 12.135 -0.745 0.334 1.00 0.00 H new ATOM 0 HA THR A 30 10.932 -0.387 -2.428 1.00 0.00 H new ATOM 0 HB THR A 30 12.543 -2.381 -2.014 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.006 -3.850 -2.985 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.625 -4.256 -0.690 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.901 -2.820 0.324 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.252 -3.237 -0.198 1.00 0.00 H new ATOM 558 N VAL A 31 8.667 -1.443 -1.389 1.00 0.00 N ATOM 559 CA VAL A 31 7.324 -1.420 -0.747 1.00 0.00 C ATOM 560 C VAL A 31 6.517 -2.663 -1.149 1.00 0.00 C ATOM 561 O VAL A 31 6.590 -3.127 -2.270 1.00 0.00 O ATOM 562 CB VAL A 31 6.671 -0.120 -1.250 1.00 0.00 C ATOM 563 CG1 VAL A 31 6.130 -0.302 -2.666 1.00 0.00 C ATOM 564 CG2 VAL A 31 5.521 0.275 -0.324 1.00 0.00 C ATOM 0 H VAL A 31 8.712 -1.916 -2.291 1.00 0.00 H new ATOM 0 HA VAL A 31 7.375 -1.441 0.342 1.00 0.00 H new ATOM 0 HB VAL A 31 7.429 0.663 -1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.672 0.628 -3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.947 -0.568 -3.336 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.383 -1.096 -2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.063 1.196 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.776 -0.520 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.903 0.431 0.685 1.00 0.00 H new ATOM 574 N THR A 32 5.749 -3.205 -0.248 1.00 0.00 N ATOM 575 CA THR A 32 4.942 -4.403 -0.595 1.00 0.00 C ATOM 576 C THR A 32 3.580 -4.303 0.080 1.00 0.00 C ATOM 577 O THR A 32 3.466 -4.407 1.275 1.00 0.00 O ATOM 578 CB THR A 32 5.728 -5.588 -0.042 1.00 0.00 C ATOM 579 OG1 THR A 32 7.059 -5.550 -0.537 1.00 0.00 O ATOM 580 CG2 THR A 32 5.053 -6.895 -0.467 1.00 0.00 C ATOM 0 H THR A 32 5.646 -2.871 0.710 1.00 0.00 H new ATOM 0 HA THR A 32 4.772 -4.501 -1.667 1.00 0.00 H new ATOM 0 HB THR A 32 5.749 -5.533 1.046 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.688 -5.569 0.214 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.616 -7.741 -0.071 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.035 -6.922 -0.078 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.027 -6.954 -1.555 1.00 0.00 H new ATOM 588 N TRP A 33 2.551 -4.093 -0.672 1.00 0.00 N ATOM 589 CA TRP A 33 1.197 -3.971 -0.053 1.00 0.00 C ATOM 590 C TRP A 33 0.559 -5.361 0.088 1.00 0.00 C ATOM 591 O TRP A 33 0.338 -6.057 -0.883 1.00 0.00 O ATOM 592 CB TRP A 33 0.401 -3.094 -1.014 1.00 0.00 C ATOM 593 CG TRP A 33 1.115 -1.801 -1.239 1.00 0.00 C ATOM 594 CD1 TRP A 33 2.120 -1.620 -2.110 1.00 0.00 C ATOM 595 CD2 TRP A 33 0.890 -0.517 -0.604 1.00 0.00 C ATOM 596 NE1 TRP A 33 2.538 -0.299 -2.051 1.00 0.00 N ATOM 597 CE2 TRP A 33 1.807 0.423 -1.130 1.00 0.00 C ATOM 598 CE3 TRP A 33 -0.012 -0.089 0.370 1.00 0.00 C ATOM 599 CZ2 TRP A 33 1.825 1.752 -0.699 1.00 0.00 C ATOM 600 CZ3 TRP A 33 -0.004 1.245 0.814 1.00 0.00 C ATOM 601 CH2 TRP A 33 0.914 2.164 0.279 1.00 0.00 C ATOM 0 H TRP A 33 2.578 -3.999 -1.687 1.00 0.00 H new ATOM 0 HA TRP A 33 1.229 -3.539 0.947 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.263 -3.612 -1.963 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.592 -2.904 -0.608 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.536 -2.381 -2.753 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.292 0.090 -2.618 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.722 -0.788 0.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.534 2.452 -1.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.707 1.565 1.569 1.00 0.00 H new ATOM 0 HH2 TRP A 33 0.916 3.188 0.623 1.00 0.00 H new ATOM 612 N LEU A 34 0.283 -5.771 1.303 1.00 0.00 N ATOM 613 CA LEU A 34 -0.321 -7.121 1.534 1.00 0.00 C ATOM 614 C LEU A 34 -1.133 -7.142 2.834 1.00 0.00 C ATOM 615 O LEU A 34 -0.895 -6.367 3.739 1.00 0.00 O ATOM 616 CB LEU A 34 0.867 -8.078 1.631 1.00 0.00 C ATOM 617 CG LEU A 34 1.707 -7.751 2.866 1.00 0.00 C ATOM 618 CD1 LEU A 34 2.071 -9.046 3.589 1.00 0.00 C ATOM 619 CD2 LEU A 34 2.979 -7.031 2.427 1.00 0.00 C ATOM 0 H LEU A 34 0.451 -5.226 2.148 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.008 -7.398 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.511 -9.107 1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.481 -8.000 0.733 1.00 0.00 H new ATOM 0 HG LEU A 34 1.140 -7.110 3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.670 -8.815 4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.160 -9.561 3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.643 -9.688 2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.584 -6.794 3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.548 -7.674 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.715 -6.109 1.908 1.00 0.00 H new ATOM 631 N ARG A 35 -2.074 -8.036 2.945 1.00 0.00 N ATOM 632 CA ARG A 35 -2.872 -8.120 4.195 1.00 0.00 C ATOM 633 C ARG A 35 -3.559 -9.482 4.281 1.00 0.00 C ATOM 634 O ARG A 35 -3.459 -10.191 5.263 1.00 0.00 O ATOM 635 CB ARG A 35 -3.903 -7.000 4.080 1.00 0.00 C ATOM 636 CG ARG A 35 -4.940 -7.131 5.199 1.00 0.00 C ATOM 637 CD ARG A 35 -4.240 -7.127 6.562 1.00 0.00 C ATOM 638 NE ARG A 35 -5.106 -6.288 7.435 1.00 0.00 N ATOM 639 CZ ARG A 35 -5.663 -6.809 8.494 1.00 0.00 C ATOM 640 NH1 ARG A 35 -6.662 -7.639 8.367 1.00 0.00 N ATOM 641 NH2 ARG A 35 -5.221 -6.498 9.681 1.00 0.00 N ATOM 0 H ARG A 35 -2.324 -8.712 2.223 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.260 -8.015 5.091 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.408 -6.031 4.142 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.395 -7.045 3.109 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.653 -6.308 5.144 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.507 -8.053 5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.141 -8.138 6.958 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.234 -6.713 6.488 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.264 -5.307 7.206 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.009 -7.882 7.439 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.096 -8.045 9.196 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.441 -5.848 9.781 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.655 -6.904 10.510 1.00 0.00 H new ATOM 655 N LYS A 36 -4.266 -9.833 3.251 1.00 0.00 N ATOM 656 CA LYS A 36 -4.993 -11.131 3.228 1.00 0.00 C ATOM 657 C LYS A 36 -5.634 -11.334 1.854 1.00 0.00 C ATOM 658 O LYS A 36 -5.667 -12.428 1.325 1.00 0.00 O ATOM 659 CB LYS A 36 -6.067 -10.991 4.302 1.00 0.00 C ATOM 660 CG LYS A 36 -6.728 -12.348 4.548 1.00 0.00 C ATOM 661 CD LYS A 36 -8.247 -12.202 4.437 1.00 0.00 C ATOM 662 CE LYS A 36 -8.633 -11.949 2.977 1.00 0.00 C ATOM 663 NZ LYS A 36 -8.474 -13.267 2.301 1.00 0.00 N ATOM 0 H LYS A 36 -4.374 -9.268 2.409 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.341 -11.985 3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.625 -10.618 5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.815 -10.262 3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.368 -13.077 3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.459 -12.722 5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.737 -13.105 4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.590 -11.378 5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.658 -11.586 2.897 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.991 -11.193 2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.235 -13.393 1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.553 -13.301 1.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.523 -14.028 3.008 1.00 0.00 H new ATOM 677 N GLY A 37 -6.140 -10.278 1.273 1.00 0.00 N ATOM 678 CA GLY A 37 -6.781 -10.385 -0.070 1.00 0.00 C ATOM 679 C GLY A 37 -5.858 -11.146 -1.023 1.00 0.00 C ATOM 680 O GLY A 37 -5.974 -12.341 -1.206 1.00 0.00 O ATOM 0 H GLY A 37 -6.136 -9.340 1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.738 -10.900 0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.988 -9.390 -0.465 1.00 0.00 H new ATOM 684 N GLN A 38 -4.939 -10.451 -1.620 1.00 0.00 N ATOM 685 CA GLN A 38 -3.981 -11.099 -2.561 1.00 0.00 C ATOM 686 C GLN A 38 -2.778 -10.177 -2.739 1.00 0.00 C ATOM 687 O GLN A 38 -2.558 -9.621 -3.796 1.00 0.00 O ATOM 688 CB GLN A 38 -4.746 -11.254 -3.876 1.00 0.00 C ATOM 689 CG GLN A 38 -3.834 -11.901 -4.918 1.00 0.00 C ATOM 690 CD GLN A 38 -3.950 -13.424 -4.823 1.00 0.00 C ATOM 691 OE1 GLN A 38 -5.030 -13.970 -4.931 1.00 0.00 O ATOM 692 NE2 GLN A 38 -2.876 -14.135 -4.625 1.00 0.00 N ATOM 0 H GLN A 38 -4.805 -9.447 -1.497 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.616 -12.063 -2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.634 -11.867 -3.723 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.087 -10.281 -4.229 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.111 -11.566 -5.918 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.801 -11.593 -4.754 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.970 -13.676 -4.534 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.942 -15.151 -4.561 1.00 0.00 H new ATOM 701 N VAL A 39 -2.022 -9.990 -1.681 1.00 0.00 N ATOM 702 CA VAL A 39 -0.831 -9.075 -1.703 1.00 0.00 C ATOM 703 C VAL A 39 -1.108 -7.799 -2.511 1.00 0.00 C ATOM 704 O VAL A 39 -0.192 -7.166 -2.998 1.00 0.00 O ATOM 705 CB VAL A 39 0.352 -9.858 -2.304 1.00 0.00 C ATOM 706 CG1 VAL A 39 0.898 -10.835 -1.263 1.00 0.00 C ATOM 707 CG2 VAL A 39 -0.065 -10.640 -3.555 1.00 0.00 C ATOM 0 H VAL A 39 -2.184 -10.444 -0.782 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.600 -8.753 -0.688 1.00 0.00 H new ATOM 0 HB VAL A 39 1.119 -9.138 -2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.735 -11.389 -1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.236 -10.282 -0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.112 -11.532 -0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.796 -11.179 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.850 -11.350 -3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.437 -9.947 -4.310 1.00 0.00 H new ATOM 717 N LEU A 40 -2.360 -7.406 -2.639 1.00 0.00 N ATOM 718 CA LEU A 40 -2.704 -6.162 -3.404 1.00 0.00 C ATOM 719 C LEU A 40 -1.864 -6.090 -4.699 1.00 0.00 C ATOM 720 O LEU A 40 -2.195 -6.720 -5.681 1.00 0.00 O ATOM 721 CB LEU A 40 -2.392 -5.001 -2.438 1.00 0.00 C ATOM 722 CG LEU A 40 -3.290 -5.088 -1.188 1.00 0.00 C ATOM 723 CD1 LEU A 40 -2.731 -6.129 -0.231 1.00 0.00 C ATOM 724 CD2 LEU A 40 -3.316 -3.743 -0.460 1.00 0.00 C ATOM 0 H LEU A 40 -3.161 -7.899 -2.243 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.746 -6.130 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.343 -5.036 -2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.550 -4.047 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.297 -5.359 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.367 -6.190 0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.703 -7.100 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.722 -5.845 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.954 -3.818 0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.305 -3.475 -0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.708 -2.976 -1.127 1.00 0.00 H new ATOM 736 N SER A 41 -0.765 -5.359 -4.679 1.00 0.00 N ATOM 737 CA SER A 41 0.154 -5.245 -5.870 1.00 0.00 C ATOM 738 C SER A 41 -0.550 -5.463 -7.212 1.00 0.00 C ATOM 739 O SER A 41 -0.514 -6.546 -7.761 1.00 0.00 O ATOM 740 CB SER A 41 1.188 -6.338 -5.658 1.00 0.00 C ATOM 741 OG SER A 41 0.525 -7.589 -5.512 1.00 0.00 O ATOM 0 H SER A 41 -0.460 -4.824 -3.866 1.00 0.00 H new ATOM 0 HA SER A 41 0.571 -4.239 -5.926 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.875 -6.374 -6.503 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.784 -6.124 -4.771 1.00 0.00 H new ATOM 0 HG SER A 41 0.370 -7.768 -4.561 1.00 0.00 H new ATOM 747 N THR A 42 -1.151 -4.427 -7.741 1.00 0.00 N ATOM 748 CA THR A 42 -1.861 -4.486 -9.070 1.00 0.00 C ATOM 749 C THR A 42 -2.334 -5.901 -9.421 1.00 0.00 C ATOM 750 O THR A 42 -2.152 -6.370 -10.526 1.00 0.00 O ATOM 751 CB THR A 42 -0.843 -4.018 -10.119 1.00 0.00 C ATOM 752 OG1 THR A 42 -0.022 -5.112 -10.500 1.00 0.00 O ATOM 753 CG2 THR A 42 0.041 -2.883 -9.584 1.00 0.00 C ATOM 0 H THR A 42 -1.183 -3.510 -7.296 1.00 0.00 H new ATOM 0 HA THR A 42 -2.753 -3.860 -9.036 1.00 0.00 H new ATOM 0 HB THR A 42 -1.396 -3.640 -10.979 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.546 -5.744 -11.035 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.749 -2.579 -10.355 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.584 -2.033 -9.310 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.587 -3.230 -8.707 1.00 0.00 H new ATOM 761 N SER A 43 -2.927 -6.588 -8.490 1.00 0.00 N ATOM 762 CA SER A 43 -3.398 -7.974 -8.775 1.00 0.00 C ATOM 763 C SER A 43 -4.252 -7.989 -10.043 1.00 0.00 C ATOM 764 O SER A 43 -4.088 -8.827 -10.907 1.00 0.00 O ATOM 765 CB SER A 43 -4.240 -8.359 -7.560 1.00 0.00 C ATOM 766 OG SER A 43 -4.926 -7.209 -7.085 1.00 0.00 O ATOM 0 H SER A 43 -3.107 -6.253 -7.544 1.00 0.00 H new ATOM 0 HA SER A 43 -2.573 -8.668 -8.938 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.954 -9.138 -7.829 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.603 -8.767 -6.775 1.00 0.00 H new ATOM 0 HG SER A 43 -5.469 -7.451 -6.306 1.00 0.00 H new ATOM 772 N ALA A 44 -5.159 -7.053 -10.153 1.00 0.00 N ATOM 773 CA ALA A 44 -6.054 -6.963 -11.355 1.00 0.00 C ATOM 774 C ALA A 44 -7.205 -5.999 -11.062 1.00 0.00 C ATOM 775 O ALA A 44 -7.774 -5.401 -11.952 1.00 0.00 O ATOM 776 CB ALA A 44 -6.609 -8.375 -11.591 1.00 0.00 C ATOM 0 H ALA A 44 -5.323 -6.333 -9.450 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.514 -6.599 -12.229 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.269 -8.366 -12.458 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.784 -9.065 -11.770 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.168 -8.698 -10.713 1.00 0.00 H new ATOM 782 N ARG A 45 -7.553 -5.855 -9.813 1.00 0.00 N ATOM 783 CA ARG A 45 -8.673 -4.941 -9.443 1.00 0.00 C ATOM 784 C ARG A 45 -8.112 -3.662 -8.811 1.00 0.00 C ATOM 785 O ARG A 45 -8.741 -2.622 -8.817 1.00 0.00 O ATOM 786 CB ARG A 45 -9.535 -5.699 -8.410 1.00 0.00 C ATOM 787 CG ARG A 45 -9.540 -7.215 -8.666 1.00 0.00 C ATOM 788 CD ARG A 45 -10.219 -7.923 -7.491 1.00 0.00 C ATOM 789 NE ARG A 45 -9.722 -9.325 -7.550 1.00 0.00 N ATOM 790 CZ ARG A 45 -9.222 -9.887 -6.483 1.00 0.00 C ATOM 791 NH1 ARG A 45 -8.028 -9.559 -6.069 1.00 0.00 N ATOM 792 NH2 ARG A 45 -9.916 -10.777 -5.830 1.00 0.00 N ATOM 0 H ARG A 45 -7.109 -6.333 -9.029 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.259 -4.659 -10.318 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.156 -5.502 -7.407 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.557 -5.322 -8.444 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.067 -7.437 -9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.519 -7.579 -8.785 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.960 -7.452 -6.543 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.305 -7.885 -7.580 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.772 -9.847 -8.425 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.485 -8.863 -6.579 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.639 -9.999 -5.235 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.849 -11.034 -6.153 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.526 -11.217 -4.996 1.00 0.00 H new ATOM 806 N HIS A 46 -6.930 -3.739 -8.265 1.00 0.00 N ATOM 807 CA HIS A 46 -6.312 -2.542 -7.624 1.00 0.00 C ATOM 808 C HIS A 46 -5.102 -2.099 -8.447 1.00 0.00 C ATOM 809 O HIS A 46 -4.617 -2.818 -9.298 1.00 0.00 O ATOM 810 CB HIS A 46 -5.924 -3.030 -6.224 1.00 0.00 C ATOM 811 CG HIS A 46 -4.717 -2.317 -5.687 1.00 0.00 C ATOM 812 ND1 HIS A 46 -3.563 -3.001 -5.383 1.00 0.00 N ATOM 813 CD2 HIS A 46 -4.470 -1.004 -5.382 1.00 0.00 C ATOM 814 CE1 HIS A 46 -2.679 -2.116 -4.916 1.00 0.00 C ATOM 815 NE2 HIS A 46 -3.177 -0.876 -4.901 1.00 0.00 N ATOM 0 H HIS A 46 -6.361 -4.585 -8.235 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.970 -1.675 -7.567 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.763 -2.882 -5.544 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.726 -4.101 -6.257 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -3.410 -4.003 -5.494 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.175 -0.194 -5.499 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.682 -2.371 -4.590 1.00 0.00 H new ATOM 823 N GLN A 47 -4.624 -0.920 -8.203 1.00 0.00 N ATOM 824 CA GLN A 47 -3.451 -0.423 -8.978 1.00 0.00 C ATOM 825 C GLN A 47 -2.459 0.318 -8.069 1.00 0.00 C ATOM 826 O GLN A 47 -2.551 1.513 -7.891 1.00 0.00 O ATOM 827 CB GLN A 47 -4.051 0.530 -10.019 1.00 0.00 C ATOM 828 CG GLN A 47 -2.939 1.302 -10.740 1.00 0.00 C ATOM 829 CD GLN A 47 -1.943 0.317 -11.359 1.00 0.00 C ATOM 830 OE1 GLN A 47 -2.325 -0.558 -12.111 1.00 0.00 O ATOM 831 NE2 GLN A 47 -0.675 0.426 -11.073 1.00 0.00 N ATOM 0 H GLN A 47 -4.990 -0.275 -7.503 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.889 -1.237 -9.435 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.639 -0.035 -10.743 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.731 1.229 -9.532 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.368 1.936 -11.516 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.426 1.960 -10.038 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.356 1.161 -10.442 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.003 -0.224 -11.481 1.00 0.00 H new ATOM 840 N VAL A 48 -1.497 -0.372 -7.516 1.00 0.00 N ATOM 841 CA VAL A 48 -0.498 0.325 -6.655 1.00 0.00 C ATOM 842 C VAL A 48 0.655 0.818 -7.537 1.00 0.00 C ATOM 843 O VAL A 48 0.749 0.486 -8.701 1.00 0.00 O ATOM 844 CB VAL A 48 -0.029 -0.722 -5.610 1.00 0.00 C ATOM 845 CG1 VAL A 48 1.478 -1.009 -5.698 1.00 0.00 C ATOM 846 CG2 VAL A 48 -0.337 -0.190 -4.212 1.00 0.00 C ATOM 0 H VAL A 48 -1.360 -1.377 -7.621 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.907 1.197 -6.145 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.559 -1.652 -5.815 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.752 -1.748 -4.945 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.718 -1.395 -6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.035 -0.088 -5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.012 -0.916 -3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.191 0.751 -4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.410 -0.024 -4.114 1.00 0.00 H new ATOM 856 N THR A 49 1.529 1.595 -6.981 1.00 0.00 N ATOM 857 CA THR A 49 2.685 2.103 -7.772 1.00 0.00 C ATOM 858 C THR A 49 3.868 2.358 -6.840 1.00 0.00 C ATOM 859 O THR A 49 3.725 2.366 -5.637 1.00 0.00 O ATOM 860 CB THR A 49 2.205 3.409 -8.416 1.00 0.00 C ATOM 861 OG1 THR A 49 3.328 4.138 -8.892 1.00 0.00 O ATOM 862 CG2 THR A 49 1.447 4.251 -7.388 1.00 0.00 C ATOM 0 H THR A 49 1.498 1.905 -6.010 1.00 0.00 H new ATOM 0 HA THR A 49 3.015 1.391 -8.529 1.00 0.00 H new ATOM 0 HB THR A 49 1.538 3.177 -9.246 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.025 4.973 -9.306 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.110 5.177 -7.854 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.584 3.692 -7.025 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.106 4.485 -6.552 1.00 0.00 H new ATOM 870 N THR A 50 5.032 2.570 -7.381 1.00 0.00 N ATOM 871 CA THR A 50 6.213 2.828 -6.513 1.00 0.00 C ATOM 872 C THR A 50 6.968 4.060 -7.014 1.00 0.00 C ATOM 873 O THR A 50 6.704 4.569 -8.085 1.00 0.00 O ATOM 874 CB THR A 50 7.082 1.576 -6.640 1.00 0.00 C ATOM 875 OG1 THR A 50 7.010 1.086 -7.972 1.00 0.00 O ATOM 876 CG2 THR A 50 6.580 0.504 -5.673 1.00 0.00 C ATOM 0 H THR A 50 5.218 2.576 -8.384 1.00 0.00 H new ATOM 0 HA THR A 50 5.933 3.022 -5.478 1.00 0.00 H new ATOM 0 HB THR A 50 8.115 1.824 -6.398 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.568 0.285 -8.056 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.200 -0.388 -5.765 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.635 0.881 -4.652 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.547 0.253 -5.912 1.00 0.00 H new ATOM 884 N THR A 51 7.900 4.542 -6.246 1.00 0.00 N ATOM 885 CA THR A 51 8.674 5.743 -6.669 1.00 0.00 C ATOM 886 C THR A 51 10.120 5.603 -6.190 1.00 0.00 C ATOM 887 O THR A 51 10.554 4.528 -5.826 1.00 0.00 O ATOM 888 CB THR A 51 7.984 6.917 -5.969 1.00 0.00 C ATOM 889 OG1 THR A 51 6.587 6.663 -5.880 1.00 0.00 O ATOM 890 CG2 THR A 51 8.221 8.204 -6.759 1.00 0.00 C ATOM 0 H THR A 51 8.162 4.156 -5.339 1.00 0.00 H new ATOM 0 HA THR A 51 8.699 5.877 -7.750 1.00 0.00 H new ATOM 0 HB THR A 51 8.398 7.031 -4.967 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.400 6.142 -5.071 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.728 9.036 -6.256 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.291 8.401 -6.821 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.813 8.094 -7.764 1.00 0.00 H new ATOM 898 N LYS A 52 10.872 6.674 -6.170 1.00 0.00 N ATOM 899 CA LYS A 52 12.281 6.577 -5.692 1.00 0.00 C ATOM 900 C LYS A 52 12.307 5.874 -4.332 1.00 0.00 C ATOM 901 O LYS A 52 12.555 4.688 -4.242 1.00 0.00 O ATOM 902 CB LYS A 52 12.760 8.024 -5.561 1.00 0.00 C ATOM 903 CG LYS A 52 13.114 8.572 -6.945 1.00 0.00 C ATOM 904 CD LYS A 52 14.604 8.350 -7.215 1.00 0.00 C ATOM 905 CE LYS A 52 15.170 9.553 -7.976 1.00 0.00 C ATOM 906 NZ LYS A 52 16.177 10.156 -7.055 1.00 0.00 N ATOM 0 H LYS A 52 10.573 7.604 -6.462 1.00 0.00 H new ATOM 0 HA LYS A 52 12.917 6.006 -6.368 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.982 8.636 -5.104 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.630 8.072 -4.906 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.517 8.074 -7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.878 9.635 -6.999 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.139 8.217 -6.275 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.747 7.439 -7.795 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.629 9.245 -8.915 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.385 10.267 -8.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.608 10.987 -7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.710 10.446 -6.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.916 9.456 -6.842 1.00 0.00 H new ATOM 920 N TYR A 53 12.019 6.591 -3.280 1.00 0.00 N ATOM 921 CA TYR A 53 11.996 5.955 -1.932 1.00 0.00 C ATOM 922 C TYR A 53 10.587 6.000 -1.364 1.00 0.00 C ATOM 923 O TYR A 53 10.401 5.965 -0.174 1.00 0.00 O ATOM 924 CB TYR A 53 12.895 6.807 -1.043 1.00 0.00 C ATOM 925 CG TYR A 53 14.286 6.962 -1.621 1.00 0.00 C ATOM 926 CD1 TYR A 53 14.775 6.065 -2.580 1.00 0.00 C ATOM 927 CD2 TYR A 53 15.090 8.014 -1.180 1.00 0.00 C ATOM 928 CE1 TYR A 53 16.062 6.224 -3.096 1.00 0.00 C ATOM 929 CE2 TYR A 53 16.378 8.177 -1.695 1.00 0.00 C ATOM 930 CZ TYR A 53 16.866 7.281 -2.655 1.00 0.00 C ATOM 931 OH TYR A 53 18.140 7.439 -3.162 1.00 0.00 O ATOM 0 H TYR A 53 11.799 7.587 -3.295 1.00 0.00 H new ATOM 0 HA TYR A 53 12.325 4.917 -1.986 1.00 0.00 H new ATOM 0 HB2 TYR A 53 12.446 7.791 -0.911 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.962 6.353 -0.055 1.00 0.00 H new ATOM 0 HD1 TYR A 53 14.155 5.249 -2.921 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.715 8.704 -0.438 1.00 0.00 H new ATOM 0 HE1 TYR A 53 16.437 5.532 -3.835 1.00 0.00 H new ATOM 0 HE2 TYR A 53 16.997 8.993 -1.353 1.00 0.00 H new ATOM 0 HH TYR A 53 18.561 8.222 -2.750 1.00 0.00 H new ATOM 941 N LYS A 54 9.595 6.106 -2.189 1.00 0.00 N ATOM 942 CA LYS A 54 8.205 6.187 -1.650 1.00 0.00 C ATOM 943 C LYS A 54 7.227 5.433 -2.547 1.00 0.00 C ATOM 944 O LYS A 54 7.385 5.373 -3.749 1.00 0.00 O ATOM 945 CB LYS A 54 7.836 7.689 -1.587 1.00 0.00 C ATOM 946 CG LYS A 54 8.684 8.534 -2.559 1.00 0.00 C ATOM 947 CD LYS A 54 7.851 9.709 -3.078 1.00 0.00 C ATOM 948 CE LYS A 54 8.516 11.028 -2.678 1.00 0.00 C ATOM 949 NZ LYS A 54 8.703 11.768 -3.957 1.00 0.00 N ATOM 0 H LYS A 54 9.676 6.141 -3.205 1.00 0.00 H new ATOM 0 HA LYS A 54 8.149 5.728 -0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.780 7.813 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.978 8.055 -0.570 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.576 8.903 -2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.022 7.918 -3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.759 9.651 -4.163 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.842 9.661 -2.669 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.891 11.591 -1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.470 10.854 -2.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.155 12.685 -3.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.307 11.211 -4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.778 11.925 -4.406 1.00 0.00 H new ATOM 963 N SER A 55 6.207 4.870 -1.964 1.00 0.00 N ATOM 964 CA SER A 55 5.204 4.133 -2.769 1.00 0.00 C ATOM 965 C SER A 55 3.855 4.816 -2.654 1.00 0.00 C ATOM 966 O SER A 55 3.677 5.743 -1.891 1.00 0.00 O ATOM 967 CB SER A 55 5.119 2.732 -2.165 1.00 0.00 C ATOM 968 OG SER A 55 4.652 1.842 -3.161 1.00 0.00 O ATOM 0 H SER A 55 6.027 4.890 -0.960 1.00 0.00 H new ATOM 0 HA SER A 55 5.483 4.101 -3.822 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.097 2.416 -1.803 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.445 2.729 -1.308 1.00 0.00 H new ATOM 0 HG SER A 55 4.489 2.337 -3.991 1.00 0.00 H new ATOM 974 N THR A 56 2.903 4.357 -3.398 1.00 0.00 N ATOM 975 CA THR A 56 1.561 4.967 -3.330 1.00 0.00 C ATOM 976 C THR A 56 0.519 3.921 -3.681 1.00 0.00 C ATOM 977 O THR A 56 0.692 3.137 -4.590 1.00 0.00 O ATOM 978 CB THR A 56 1.597 6.108 -4.342 1.00 0.00 C ATOM 979 OG1 THR A 56 2.406 5.735 -5.449 1.00 0.00 O ATOM 980 CG2 THR A 56 2.196 7.339 -3.672 1.00 0.00 C ATOM 0 H THR A 56 2.997 3.581 -4.054 1.00 0.00 H new ATOM 0 HA THR A 56 1.302 5.340 -2.339 1.00 0.00 H new ATOM 0 HB THR A 56 0.587 6.326 -4.690 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.428 6.467 -6.100 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.227 8.163 -4.385 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.582 7.623 -2.817 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.207 7.113 -3.334 1.00 0.00 H new ATOM 988 N PHE A 57 -0.549 3.881 -2.947 1.00 0.00 N ATOM 989 CA PHE A 57 -1.583 2.863 -3.218 1.00 0.00 C ATOM 990 C PHE A 57 -2.886 3.531 -3.638 1.00 0.00 C ATOM 991 O PHE A 57 -3.340 4.441 -2.993 1.00 0.00 O ATOM 992 CB PHE A 57 -1.764 2.153 -1.876 1.00 0.00 C ATOM 993 CG PHE A 57 -2.785 1.067 -2.036 1.00 0.00 C ATOM 994 CD1 PHE A 57 -4.137 1.390 -2.185 1.00 0.00 C ATOM 995 CD2 PHE A 57 -2.374 -0.261 -2.070 1.00 0.00 C ATOM 996 CE1 PHE A 57 -5.074 0.378 -2.365 1.00 0.00 C ATOM 997 CE2 PHE A 57 -3.311 -1.276 -2.249 1.00 0.00 C ATOM 998 CZ PHE A 57 -4.664 -0.960 -2.399 1.00 0.00 C ATOM 0 H PHE A 57 -0.749 4.511 -2.170 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.303 2.183 -4.023 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.816 1.733 -1.541 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.085 2.863 -1.114 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.453 2.422 -2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.328 -0.505 -1.958 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.119 0.625 -2.479 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.992 -2.307 -2.272 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.391 -1.746 -2.541 1.00 0.00 H new ATOM 1008 N GLU A 58 -3.514 3.082 -4.689 1.00 0.00 N ATOM 1009 CA GLU A 58 -4.800 3.723 -5.081 1.00 0.00 C ATOM 1010 C GLU A 58 -5.732 2.703 -5.764 1.00 0.00 C ATOM 1011 O GLU A 58 -5.428 2.179 -6.818 1.00 0.00 O ATOM 1012 CB GLU A 58 -4.410 4.852 -6.049 1.00 0.00 C ATOM 1013 CG GLU A 58 -3.913 4.269 -7.376 1.00 0.00 C ATOM 1014 CD GLU A 58 -5.052 4.290 -8.400 1.00 0.00 C ATOM 1015 OE1 GLU A 58 -5.837 5.223 -8.367 1.00 0.00 O ATOM 1016 OE2 GLU A 58 -5.122 3.370 -9.199 1.00 0.00 O ATOM 0 H GLU A 58 -3.201 2.314 -5.283 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.346 4.104 -4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.269 5.499 -6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.632 5.471 -5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.066 4.848 -7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.561 3.248 -7.228 1.00 0.00 H new ATOM 1023 N ILE A 59 -6.873 2.430 -5.193 1.00 0.00 N ATOM 1024 CA ILE A 59 -7.808 1.471 -5.860 1.00 0.00 C ATOM 1025 C ILE A 59 -8.760 2.285 -6.739 1.00 0.00 C ATOM 1026 O ILE A 59 -8.869 3.486 -6.588 1.00 0.00 O ATOM 1027 CB ILE A 59 -8.546 0.723 -4.733 1.00 0.00 C ATOM 1028 CG1 ILE A 59 -7.632 -0.376 -4.174 1.00 0.00 C ATOM 1029 CG2 ILE A 59 -9.819 0.068 -5.280 1.00 0.00 C ATOM 1030 CD1 ILE A 59 -8.024 -0.713 -2.728 1.00 0.00 C ATOM 0 H ILE A 59 -7.198 2.820 -4.308 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.304 0.744 -6.497 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.810 1.434 -3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.704 -1.269 -4.795 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.593 -0.047 -4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.332 -0.458 -4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.476 0.835 -5.689 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.555 -0.640 -6.065 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.367 -1.494 -2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.928 0.178 -2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.056 -1.063 -2.703 1.00 0.00 H new ATOM 1042 N SER A 60 -9.428 1.665 -7.672 1.00 0.00 N ATOM 1043 CA SER A 60 -10.333 2.455 -8.557 1.00 0.00 C ATOM 1044 C SER A 60 -11.523 1.631 -9.065 1.00 0.00 C ATOM 1045 O SER A 60 -12.253 2.074 -9.930 1.00 0.00 O ATOM 1046 CB SER A 60 -9.446 2.885 -9.726 1.00 0.00 C ATOM 1047 OG SER A 60 -8.131 3.146 -9.247 1.00 0.00 O ATOM 0 H SER A 60 -9.389 0.663 -7.859 1.00 0.00 H new ATOM 0 HA SER A 60 -10.773 3.295 -8.019 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.421 2.103 -10.485 1.00 0.00 H new ATOM 0 HB3 SER A 60 -9.856 3.776 -10.200 1.00 0.00 H new ATOM 0 HG SER A 60 -7.559 3.421 -9.994 1.00 0.00 H new ATOM 1053 N SER A 61 -11.746 0.450 -8.546 1.00 0.00 N ATOM 1054 CA SER A 61 -12.914 -0.350 -9.031 1.00 0.00 C ATOM 1055 C SER A 61 -13.047 -1.677 -8.279 1.00 0.00 C ATOM 1056 O SER A 61 -14.141 -2.170 -8.099 1.00 0.00 O ATOM 1057 CB SER A 61 -12.635 -0.614 -10.510 1.00 0.00 C ATOM 1058 OG SER A 61 -13.607 0.066 -11.293 1.00 0.00 O ATOM 0 H SER A 61 -11.181 0.010 -7.820 1.00 0.00 H new ATOM 0 HA SER A 61 -13.848 0.188 -8.868 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.634 -0.271 -10.771 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.669 -1.684 -10.714 1.00 0.00 H new ATOM 0 HG SER A 61 -13.545 1.030 -11.127 1.00 0.00 H new ATOM 1064 N VAL A 62 -11.945 -2.264 -7.868 1.00 0.00 N ATOM 1065 CA VAL A 62 -11.987 -3.584 -7.147 1.00 0.00 C ATOM 1066 C VAL A 62 -13.053 -4.513 -7.766 1.00 0.00 C ATOM 1067 O VAL A 62 -14.057 -4.828 -7.162 1.00 0.00 O ATOM 1068 CB VAL A 62 -12.283 -3.253 -5.674 1.00 0.00 C ATOM 1069 CG1 VAL A 62 -13.614 -2.515 -5.536 1.00 0.00 C ATOM 1070 CG2 VAL A 62 -12.331 -4.551 -4.862 1.00 0.00 C ATOM 0 H VAL A 62 -11.009 -1.883 -8.002 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.044 -4.125 -7.232 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.491 -2.606 -5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -13.800 -2.293 -4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.574 -1.584 -6.102 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -14.419 -3.141 -5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -12.541 -4.319 -3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -13.116 -5.197 -5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.371 -5.061 -4.935 1.00 0.00 H new ATOM 1130 N GLU A 67 -11.631 -6.253 0.152 1.00 0.00 N ATOM 1131 CA GLU A 67 -12.005 -6.371 1.603 1.00 0.00 C ATOM 1132 C GLU A 67 -11.961 -5.009 2.276 1.00 0.00 C ATOM 1133 O GLU A 67 -12.008 -3.997 1.623 1.00 0.00 O ATOM 1134 CB GLU A 67 -10.976 -7.295 2.255 1.00 0.00 C ATOM 1135 CG GLU A 67 -9.581 -6.692 2.123 1.00 0.00 C ATOM 1136 CD GLU A 67 -8.680 -7.658 1.352 1.00 0.00 C ATOM 1137 OE1 GLU A 67 -9.181 -8.313 0.453 1.00 0.00 O ATOM 1138 OE2 GLU A 67 -7.507 -7.733 1.678 1.00 0.00 O ATOM 0 HA GLU A 67 -13.016 -6.765 1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.221 -7.441 3.307 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.004 -8.276 1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.634 -5.735 1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.162 -6.497 3.110 1.00 0.00 H new ATOM 1145 N GLY A 68 -11.884 -5.003 3.584 1.00 0.00 N ATOM 1146 CA GLY A 68 -11.862 -3.732 4.362 1.00 0.00 C ATOM 1147 C GLY A 68 -10.459 -3.415 4.887 1.00 0.00 C ATOM 1148 O GLY A 68 -10.088 -2.279 4.967 1.00 0.00 O ATOM 0 H GLY A 68 -11.834 -5.847 4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.209 -2.913 3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.556 -3.805 5.199 1.00 0.00 H new ATOM 1152 N ASN A 69 -9.701 -4.397 5.285 1.00 0.00 N ATOM 1153 CA ASN A 69 -8.339 -4.120 5.843 1.00 0.00 C ATOM 1154 C ASN A 69 -7.208 -4.423 4.839 1.00 0.00 C ATOM 1155 O ASN A 69 -7.259 -5.383 4.096 1.00 0.00 O ATOM 1156 CB ASN A 69 -8.230 -5.043 7.052 1.00 0.00 C ATOM 1157 CG ASN A 69 -8.974 -4.425 8.236 1.00 0.00 C ATOM 1158 OD1 ASN A 69 -10.016 -3.823 8.067 1.00 0.00 O ATOM 1159 ND2 ASN A 69 -8.482 -4.551 9.437 1.00 0.00 N ATOM 0 H ASN A 69 -9.962 -5.382 5.250 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.227 -3.064 6.090 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.650 -6.021 6.815 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.183 -5.200 7.309 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.972 -4.144 10.234 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.607 -5.056 9.579 1.00 0.00 H new ATOM 1166 N TYR A 70 -6.176 -3.605 4.840 1.00 0.00 N ATOM 1167 CA TYR A 70 -5.009 -3.820 3.926 1.00 0.00 C ATOM 1168 C TYR A 70 -3.742 -3.237 4.579 1.00 0.00 C ATOM 1169 O TYR A 70 -3.833 -2.429 5.476 1.00 0.00 O ATOM 1170 CB TYR A 70 -5.355 -3.058 2.646 1.00 0.00 C ATOM 1171 CG TYR A 70 -5.936 -4.017 1.634 1.00 0.00 C ATOM 1172 CD1 TYR A 70 -5.275 -5.217 1.345 1.00 0.00 C ATOM 1173 CD2 TYR A 70 -7.138 -3.707 0.987 1.00 0.00 C ATOM 1174 CE1 TYR A 70 -5.816 -6.104 0.409 1.00 0.00 C ATOM 1175 CE2 TYR A 70 -7.680 -4.595 0.052 1.00 0.00 C ATOM 1176 CZ TYR A 70 -7.018 -5.796 -0.237 1.00 0.00 C ATOM 1177 OH TYR A 70 -7.549 -6.679 -1.154 1.00 0.00 O ATOM 0 H TYR A 70 -6.095 -2.788 5.445 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.820 -4.874 3.722 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.070 -2.264 2.864 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.463 -2.581 2.241 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.348 -5.457 1.845 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.647 -2.781 1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.305 -7.029 0.184 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.608 -4.355 -0.447 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.387 -6.316 -1.511 1.00 0.00 H new ATOM 1187 N SER A 71 -2.557 -3.622 4.156 1.00 0.00 N ATOM 1188 CA SER A 71 -1.337 -3.032 4.803 1.00 0.00 C ATOM 1189 C SER A 71 -0.160 -2.965 3.824 1.00 0.00 C ATOM 1190 O SER A 71 -0.293 -3.257 2.654 1.00 0.00 O ATOM 1191 CB SER A 71 -0.992 -3.933 5.989 1.00 0.00 C ATOM 1192 OG SER A 71 -1.904 -5.022 6.063 1.00 0.00 O ATOM 0 H SER A 71 -2.384 -4.299 3.413 1.00 0.00 H new ATOM 0 HA SER A 71 -1.535 -2.009 5.123 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.026 -4.309 5.885 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.026 -3.357 6.914 1.00 0.00 H new ATOM 0 HG SER A 71 -1.693 -5.673 5.362 1.00 0.00 H new ATOM 1198 N VAL A 72 0.989 -2.555 4.302 1.00 0.00 N ATOM 1199 CA VAL A 72 2.187 -2.440 3.401 1.00 0.00 C ATOM 1200 C VAL A 72 3.496 -2.668 4.171 1.00 0.00 C ATOM 1201 O VAL A 72 3.909 -1.854 4.969 1.00 0.00 O ATOM 1202 CB VAL A 72 2.140 -1.005 2.858 1.00 0.00 C ATOM 1203 CG1 VAL A 72 2.030 -0.022 4.021 1.00 0.00 C ATOM 1204 CG2 VAL A 72 3.418 -0.691 2.060 1.00 0.00 C ATOM 0 H VAL A 72 1.153 -2.295 5.274 1.00 0.00 H new ATOM 0 HA VAL A 72 2.161 -3.191 2.611 1.00 0.00 H new ATOM 0 HB VAL A 72 1.274 -0.910 2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.997 0.997 3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.120 -0.226 4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.895 -0.134 4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.369 0.330 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.287 -0.796 2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.504 -1.384 1.223 1.00 0.00 H new ATOM 1214 N VAL A 73 4.168 -3.752 3.910 1.00 0.00 N ATOM 1215 CA VAL A 73 5.462 -4.009 4.601 1.00 0.00 C ATOM 1216 C VAL A 73 6.621 -3.441 3.775 1.00 0.00 C ATOM 1217 O VAL A 73 7.095 -4.050 2.838 1.00 0.00 O ATOM 1218 CB VAL A 73 5.581 -5.532 4.738 1.00 0.00 C ATOM 1219 CG1 VAL A 73 4.382 -6.070 5.519 1.00 0.00 C ATOM 1220 CG2 VAL A 73 5.627 -6.199 3.362 1.00 0.00 C ATOM 0 H VAL A 73 3.878 -4.472 3.248 1.00 0.00 H new ATOM 0 HA VAL A 73 5.499 -3.528 5.578 1.00 0.00 H new ATOM 0 HB VAL A 73 6.505 -5.760 5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.467 -7.152 5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.361 -5.617 6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.462 -5.824 4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.712 -7.279 3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.714 -5.966 2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.488 -5.828 2.806 1.00 0.00 H new ATOM 1230 N VAL A 74 7.076 -2.272 4.121 1.00 0.00 N ATOM 1231 CA VAL A 74 8.202 -1.651 3.370 1.00 0.00 C ATOM 1232 C VAL A 74 9.536 -2.099 4.004 1.00 0.00 C ATOM 1233 O VAL A 74 9.709 -2.041 5.205 1.00 0.00 O ATOM 1234 CB VAL A 74 7.948 -0.134 3.514 1.00 0.00 C ATOM 1235 CG1 VAL A 74 9.255 0.642 3.766 1.00 0.00 C ATOM 1236 CG2 VAL A 74 7.298 0.384 2.230 1.00 0.00 C ATOM 0 H VAL A 74 6.715 -1.716 4.896 1.00 0.00 H new ATOM 0 HA VAL A 74 8.261 -1.937 2.320 1.00 0.00 H new ATOM 0 HB VAL A 74 7.293 0.022 4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.034 1.705 3.862 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.719 0.284 4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.937 0.487 2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.114 1.455 2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.963 0.201 1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.353 -0.134 2.066 1.00 0.00 H new ATOM 1246 N GLU A 75 10.473 -2.542 3.214 1.00 0.00 N ATOM 1247 CA GLU A 75 11.777 -2.988 3.792 1.00 0.00 C ATOM 1248 C GLU A 75 12.896 -2.851 2.753 1.00 0.00 C ATOM 1249 O GLU A 75 12.667 -2.431 1.640 1.00 0.00 O ATOM 1250 CB GLU A 75 11.554 -4.454 4.160 1.00 0.00 C ATOM 1251 CG GLU A 75 11.233 -5.259 2.904 1.00 0.00 C ATOM 1252 CD GLU A 75 9.763 -5.685 2.930 1.00 0.00 C ATOM 1253 OE1 GLU A 75 9.313 -6.125 3.977 1.00 0.00 O ATOM 1254 OE2 GLU A 75 9.111 -5.565 1.905 1.00 0.00 O ATOM 0 H GLU A 75 10.397 -2.616 2.200 1.00 0.00 H new ATOM 0 HA GLU A 75 12.079 -2.391 4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.444 -4.857 4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.737 -4.538 4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.433 -4.661 2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.876 -6.137 2.848 1.00 0.00 H new ATOM 1261 N ASN A 76 14.106 -3.200 3.107 1.00 0.00 N ATOM 1262 CA ASN A 76 15.227 -3.086 2.120 1.00 0.00 C ATOM 1263 C ASN A 76 16.539 -3.657 2.699 1.00 0.00 C ATOM 1264 O ASN A 76 16.530 -4.686 3.343 1.00 0.00 O ATOM 1265 CB ASN A 76 15.349 -1.586 1.817 1.00 0.00 C ATOM 1266 CG ASN A 76 15.934 -1.400 0.413 1.00 0.00 C ATOM 1267 OD1 ASN A 76 15.373 -1.865 -0.559 1.00 0.00 O ATOM 1268 ND2 ASN A 76 17.048 -0.733 0.268 1.00 0.00 N ATOM 0 H ASN A 76 14.367 -3.556 4.027 1.00 0.00 H new ATOM 0 HA ASN A 76 15.031 -3.661 1.215 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.371 -1.109 1.882 1.00 0.00 H new ATOM 0 HB3 ASN A 76 15.988 -1.104 2.557 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.447 -0.603 -0.662 1.00 0.00 H new ATOM 0 HD22 ASN A 76 17.519 -0.343 1.084 1.00 0.00 H new ATOM 1275 N SER A 77 17.658 -2.995 2.443 1.00 0.00 N ATOM 1276 CA SER A 77 19.015 -3.450 2.921 1.00 0.00 C ATOM 1277 C SER A 77 18.961 -4.443 4.080 1.00 0.00 C ATOM 1278 O SER A 77 19.456 -5.549 3.989 1.00 0.00 O ATOM 1279 CB SER A 77 19.705 -2.164 3.369 1.00 0.00 C ATOM 1280 OG SER A 77 21.076 -2.203 2.990 1.00 0.00 O ATOM 0 H SER A 77 17.683 -2.129 1.904 1.00 0.00 H new ATOM 0 HA SER A 77 19.536 -3.983 2.126 1.00 0.00 H new ATOM 0 HB2 SER A 77 19.217 -1.301 2.917 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.619 -2.050 4.450 1.00 0.00 H new ATOM 0 HG SER A 77 21.594 -2.666 3.681 1.00 0.00 H new ATOM 1286 N GLU A 78 18.376 -4.056 5.165 1.00 0.00 N ATOM 1287 CA GLU A 78 18.300 -4.978 6.339 1.00 0.00 C ATOM 1288 C GLU A 78 17.254 -4.495 7.341 1.00 0.00 C ATOM 1289 O GLU A 78 17.292 -4.835 8.507 1.00 0.00 O ATOM 1290 CB GLU A 78 19.693 -4.946 6.964 1.00 0.00 C ATOM 1291 CG GLU A 78 20.027 -3.519 7.399 1.00 0.00 C ATOM 1292 CD GLU A 78 21.027 -2.912 6.416 1.00 0.00 C ATOM 1293 OE1 GLU A 78 21.102 -3.403 5.303 1.00 0.00 O ATOM 1294 OE2 GLU A 78 21.706 -1.971 6.792 1.00 0.00 O ATOM 0 H GLU A 78 17.943 -3.142 5.300 1.00 0.00 H new ATOM 0 HA GLU A 78 18.007 -5.985 6.043 1.00 0.00 H new ATOM 0 HB2 GLU A 78 19.733 -5.617 7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 78 20.433 -5.301 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.120 -2.915 7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 78 20.445 -3.522 8.406 1.00 0.00 H new ATOM 1301 N GLY A 79 16.313 -3.720 6.893 1.00 0.00 N ATOM 1302 CA GLY A 79 15.253 -3.230 7.811 1.00 0.00 C ATOM 1303 C GLY A 79 13.909 -3.699 7.271 1.00 0.00 C ATOM 1304 O GLY A 79 13.749 -3.877 6.081 1.00 0.00 O ATOM 0 H GLY A 79 16.231 -3.403 5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.414 -3.614 8.818 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.279 -2.142 7.877 1.00 0.00 H new ATOM 1308 N LYS A 80 12.946 -3.917 8.116 1.00 0.00 N ATOM 1309 CA LYS A 80 11.629 -4.388 7.608 1.00 0.00 C ATOM 1310 C LYS A 80 10.479 -3.694 8.344 1.00 0.00 C ATOM 1311 O LYS A 80 9.892 -4.246 9.253 1.00 0.00 O ATOM 1312 CB LYS A 80 11.619 -5.891 7.892 1.00 0.00 C ATOM 1313 CG LYS A 80 10.428 -6.537 7.180 1.00 0.00 C ATOM 1314 CD LYS A 80 9.270 -6.700 8.167 1.00 0.00 C ATOM 1315 CE LYS A 80 8.371 -7.852 7.711 1.00 0.00 C ATOM 1316 NZ LYS A 80 7.528 -7.274 6.629 1.00 0.00 N ATOM 0 H LYS A 80 13.010 -3.792 9.126 1.00 0.00 H new ATOM 0 HA LYS A 80 11.495 -4.164 6.550 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.550 -6.343 7.549 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.555 -6.069 8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.117 -5.920 6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 80 10.715 -7.508 6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.655 -6.899 9.167 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.694 -5.776 8.225 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.961 -8.693 7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.759 -8.225 8.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.113 -8.042 6.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.767 -6.703 7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.114 -6.672 6.016 1.00 0.00 H new ATOM 1330 N GLN A 81 10.145 -2.494 7.954 1.00 0.00 N ATOM 1331 CA GLN A 81 9.023 -1.779 8.629 1.00 0.00 C ATOM 1332 C GLN A 81 7.758 -1.868 7.771 1.00 0.00 C ATOM 1333 O GLN A 81 7.798 -2.314 6.644 1.00 0.00 O ATOM 1334 CB GLN A 81 9.482 -0.327 8.761 1.00 0.00 C ATOM 1335 CG GLN A 81 8.431 0.463 9.544 1.00 0.00 C ATOM 1336 CD GLN A 81 9.085 1.671 10.214 1.00 0.00 C ATOM 1337 OE1 GLN A 81 10.215 1.601 10.656 1.00 0.00 O ATOM 1338 NE2 GLN A 81 8.415 2.785 10.307 1.00 0.00 N ATOM 0 H GLN A 81 10.598 -1.979 7.200 1.00 0.00 H new ATOM 0 HA GLN A 81 8.786 -2.212 9.601 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.444 -0.282 9.272 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.625 0.113 7.774 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.637 0.793 8.874 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.969 -0.176 10.296 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.467 2.842 9.936 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.839 3.600 10.751 1.00 0.00 H new ATOM 1347 N GLU A 82 6.636 -1.460 8.295 1.00 0.00 N ATOM 1348 CA GLU A 82 5.375 -1.533 7.502 1.00 0.00 C ATOM 1349 C GLU A 82 4.396 -0.450 7.936 1.00 0.00 C ATOM 1350 O GLU A 82 4.706 0.423 8.722 1.00 0.00 O ATOM 1351 CB GLU A 82 4.801 -2.917 7.811 1.00 0.00 C ATOM 1352 CG GLU A 82 4.520 -3.032 9.311 1.00 0.00 C ATOM 1353 CD GLU A 82 3.008 -3.095 9.547 1.00 0.00 C ATOM 1354 OE1 GLU A 82 2.312 -3.593 8.678 1.00 0.00 O ATOM 1355 OE2 GLU A 82 2.573 -2.643 10.594 1.00 0.00 O ATOM 0 H GLU A 82 6.537 -1.080 9.236 1.00 0.00 H new ATOM 0 HA GLU A 82 5.555 -1.382 6.438 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.883 -3.076 7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.504 -3.691 7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.999 -3.925 9.714 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.945 -2.178 9.837 1.00 0.00 H new ATOM 1362 N ALA A 83 3.210 -0.525 7.426 1.00 0.00 N ATOM 1363 CA ALA A 83 2.160 0.458 7.775 1.00 0.00 C ATOM 1364 C ALA A 83 0.826 -0.264 7.719 1.00 0.00 C ATOM 1365 O ALA A 83 0.721 -1.315 7.118 1.00 0.00 O ATOM 1366 CB ALA A 83 2.242 1.535 6.693 1.00 0.00 C ATOM 0 H ALA A 83 2.915 -1.244 6.765 1.00 0.00 H new ATOM 0 HA ALA A 83 2.277 0.898 8.765 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.491 2.301 6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.234 1.988 6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.060 1.085 5.717 1.00 0.00 H new ATOM 1372 N GLU A 84 -0.193 0.256 8.329 1.00 0.00 N ATOM 1373 CA GLU A 84 -1.490 -0.462 8.274 1.00 0.00 C ATOM 1374 C GLU A 84 -2.640 0.503 7.994 1.00 0.00 C ATOM 1375 O GLU A 84 -2.828 1.491 8.676 1.00 0.00 O ATOM 1376 CB GLU A 84 -1.650 -1.109 9.648 1.00 0.00 C ATOM 1377 CG GLU A 84 -1.382 -2.611 9.539 1.00 0.00 C ATOM 1378 CD GLU A 84 -2.545 -3.290 8.811 1.00 0.00 C ATOM 1379 OE1 GLU A 84 -2.952 -2.781 7.778 1.00 0.00 O ATOM 1380 OE2 GLU A 84 -3.010 -4.307 9.296 1.00 0.00 O ATOM 0 H GLU A 84 -0.188 1.130 8.854 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.508 -1.199 7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.958 -0.656 10.358 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.656 -0.935 10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.451 -2.786 9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.261 -3.042 10.533 1.00 0.00 H new ATOM 1387 N PHE A 85 -3.419 0.199 7.002 1.00 0.00 N ATOM 1388 CA PHE A 85 -4.584 1.049 6.655 1.00 0.00 C ATOM 1389 C PHE A 85 -5.654 0.157 6.048 1.00 0.00 C ATOM 1390 O PHE A 85 -5.387 -0.640 5.172 1.00 0.00 O ATOM 1391 CB PHE A 85 -4.076 2.079 5.649 1.00 0.00 C ATOM 1392 CG PHE A 85 -3.627 1.398 4.371 1.00 0.00 C ATOM 1393 CD1 PHE A 85 -2.528 0.524 4.373 1.00 0.00 C ATOM 1394 CD2 PHE A 85 -4.318 1.645 3.181 1.00 0.00 C ATOM 1395 CE1 PHE A 85 -2.129 -0.099 3.182 1.00 0.00 C ATOM 1396 CE2 PHE A 85 -3.920 1.020 1.994 1.00 0.00 C ATOM 1397 CZ PHE A 85 -2.827 0.150 1.995 1.00 0.00 C ATOM 0 H PHE A 85 -3.295 -0.619 6.405 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.017 1.557 7.517 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.864 2.798 5.427 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.246 2.639 6.081 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.991 0.332 5.290 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.161 2.320 3.178 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.283 -0.771 3.181 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.458 1.210 1.077 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.520 -0.331 1.078 1.00 0.00 H new ATOM 1407 N THR A 86 -6.852 0.255 6.523 1.00 0.00 N ATOM 1408 CA THR A 86 -7.920 -0.632 5.988 1.00 0.00 C ATOM 1409 C THR A 86 -8.760 0.065 4.926 1.00 0.00 C ATOM 1410 O THR A 86 -9.281 1.144 5.126 1.00 0.00 O ATOM 1411 CB THR A 86 -8.775 -1.023 7.198 1.00 0.00 C ATOM 1412 OG1 THR A 86 -9.369 0.139 7.759 1.00 0.00 O ATOM 1413 CG2 THR A 86 -7.894 -1.710 8.239 1.00 0.00 C ATOM 0 H THR A 86 -7.144 0.904 7.254 1.00 0.00 H new ATOM 0 HA THR A 86 -7.492 -1.505 5.494 1.00 0.00 H new ATOM 0 HB THR A 86 -9.562 -1.708 6.883 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.496 0.812 7.058 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.500 -1.989 9.101 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.447 -2.604 7.804 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.105 -1.028 8.556 1.00 0.00 H new ATOM 1421 N LEU A 87 -8.922 -0.580 3.807 1.00 0.00 N ATOM 1422 CA LEU A 87 -9.762 -0.016 2.728 1.00 0.00 C ATOM 1423 C LEU A 87 -10.934 -0.945 2.512 1.00 0.00 C ATOM 1424 O LEU A 87 -10.758 -2.135 2.377 1.00 0.00 O ATOM 1425 CB LEU A 87 -8.885 0.006 1.483 1.00 0.00 C ATOM 1426 CG LEU A 87 -8.297 1.395 1.303 1.00 0.00 C ATOM 1427 CD1 LEU A 87 -9.418 2.430 1.226 1.00 0.00 C ATOM 1428 CD2 LEU A 87 -7.385 1.704 2.491 1.00 0.00 C ATOM 0 H LEU A 87 -8.501 -1.485 3.596 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.136 0.981 2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.086 -0.730 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.472 -0.269 0.607 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.722 1.433 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.988 3.423 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -10.066 2.202 0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.001 2.404 2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.957 2.699 2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.964 1.666 3.414 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.583 0.967 2.535 1.00 0.00 H new ATOM 1440 N THR A 88 -12.121 -0.426 2.482 1.00 0.00 N ATOM 1441 CA THR A 88 -13.292 -1.326 2.282 1.00 0.00 C ATOM 1442 C THR A 88 -14.062 -0.962 1.032 1.00 0.00 C ATOM 1443 O THR A 88 -13.911 0.103 0.465 1.00 0.00 O ATOM 1444 CB THR A 88 -14.165 -1.214 3.534 1.00 0.00 C ATOM 1445 OG1 THR A 88 -13.404 -0.669 4.607 1.00 0.00 O ATOM 1446 CG2 THR A 88 -14.656 -2.617 3.910 1.00 0.00 C ATOM 0 H THR A 88 -12.336 0.566 2.585 1.00 0.00 H new ATOM 0 HA THR A 88 -12.962 -2.355 2.141 1.00 0.00 H new ATOM 0 HB THR A 88 -15.014 -0.559 3.338 1.00 0.00 H new ATOM 0 HG1 THR A 88 -13.642 0.273 4.732 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.281 -2.557 4.801 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.237 -3.032 3.087 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.799 -3.261 4.110 1.00 0.00 H new ATOM 1454 N ILE A 89 -14.853 -1.882 0.578 1.00 0.00 N ATOM 1455 CA ILE A 89 -15.609 -1.660 -0.677 1.00 0.00 C ATOM 1456 C ILE A 89 -16.933 -2.432 -0.689 1.00 0.00 C ATOM 1457 O ILE A 89 -17.119 -3.351 -1.462 1.00 0.00 O ATOM 1458 CB ILE A 89 -14.659 -2.156 -1.780 1.00 0.00 C ATOM 1459 CG1 ILE A 89 -13.866 -3.402 -1.330 1.00 0.00 C ATOM 1460 CG2 ILE A 89 -13.655 -1.046 -2.070 1.00 0.00 C ATOM 1461 CD1 ILE A 89 -14.804 -4.511 -0.842 1.00 0.00 C ATOM 0 H ILE A 89 -15.010 -2.785 1.025 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.892 -0.615 -0.807 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.253 -2.417 -2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -13.263 -3.771 -2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -13.176 -3.128 -0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -12.968 -1.372 -2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.185 -0.154 -2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.093 -0.818 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.216 -5.375 -0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -15.388 -4.148 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -15.476 -4.801 -1.650 1.00 0.00 H new