USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 676 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 46 SER OG : rot 130:sc= 0.142 USER MOD Set 1.2: A 74 GLN : amide:sc= -0.503 K(o=-0.36,f=-1.7) USER MOD Set 2.1: A 58 THR OG1 : rot -140:sc= 0.467 USER MOD Set 2.2: A 61 LYS NZ :NH3+ -129:sc= 0.633 (180deg=0) USER MOD Set 3.1: A 45 SER OG : rot 53:sc= 0.1 USER MOD Set 3.2: A 81 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 33 ASN : amide:sc= 0.0641 X(o=0.42,f=0.014) USER MOD Set 4.2: A 36 THR OG1 : rot -78:sc= 0.352 USER MOD Single : A 1 GLN : amide:sc= 0.782 K(o=0.78,f=-4.1!) USER MOD Single : A 1 GLN N :NH3+ 172:sc= 0.966 (180deg=0.844) USER MOD Single : A 5 MET CE :methyl 161:sc= 0 (180deg=-0.129) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot -100:sc= -0.541 USER MOD Single : A 14 THR OG1 : rot 72:sc= 0.316 USER MOD Single : A 17 CYS SG : rot -30:sc= 0.478 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 75:sc= 0.997 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0308 K(o=-0.031,f=-1.6!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -150:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 82:sc= 0.975 USER MOD Single : A 80 THR OG1 : rot 91:sc= 0.878 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 3.133 -0.979 -1.098 1.00 0.00 N ATOM 2 CA GLN A 1 1.941 -0.145 -0.995 1.00 0.00 C ATOM 3 C GLN A 1 1.031 -0.345 -2.202 1.00 0.00 C ATOM 4 O GLN A 1 1.419 -0.975 -3.187 1.00 0.00 O ATOM 5 CB GLN A 1 2.333 1.329 -0.876 1.00 0.00 C ATOM 6 CG GLN A 1 2.915 1.696 0.480 1.00 0.00 C ATOM 7 CD GLN A 1 4.412 1.469 0.553 1.00 0.00 C ATOM 8 OE1 GLN A 1 4.875 0.333 0.661 1.00 0.00 O ATOM 9 NE2 GLN A 1 5.178 2.552 0.495 1.00 0.00 N ATOM 0 H1 GLN A 1 3.799 -0.728 -0.339 1.00 0.00 H new ATOM 0 H2 GLN A 1 2.865 -1.980 -1.007 1.00 0.00 H new ATOM 0 H3 GLN A 1 3.586 -0.824 -2.021 1.00 0.00 H new ATOM 0 HA GLN A 1 1.396 -0.443 -0.099 1.00 0.00 H new ATOM 0 HB2 GLN A 1 3.062 1.566 -1.651 1.00 0.00 H new ATOM 0 HB3 GLN A 1 1.455 1.946 -1.064 1.00 0.00 H new ATOM 0 HG2 GLN A 1 2.699 2.743 0.692 1.00 0.00 H new ATOM 0 HG3 GLN A 1 2.424 1.106 1.254 1.00 0.00 H new ATOM 0 HE21 GLN A 1 4.751 3.474 0.405 1.00 0.00 H new ATOM 0 HE22 GLN A 1 6.193 2.462 0.540 1.00 0.00 H new ATOM 18 N ARG A 2 -0.181 0.194 -2.120 1.00 0.00 N ATOM 19 CA ARG A 2 -1.147 0.073 -3.205 1.00 0.00 C ATOM 20 C ARG A 2 -0.652 0.794 -4.456 1.00 0.00 C ATOM 21 O ARG A 2 -0.784 0.286 -5.569 1.00 0.00 O ATOM 22 CB ARG A 2 -2.500 0.643 -2.777 1.00 0.00 C ATOM 23 CG ARG A 2 -3.301 -0.294 -1.888 1.00 0.00 C ATOM 24 CD ARG A 2 -4.741 0.173 -1.740 1.00 0.00 C ATOM 25 NE ARG A 2 -4.823 1.564 -1.305 1.00 0.00 N ATOM 26 CZ ARG A 2 -5.952 2.264 -1.290 1.00 0.00 C ATOM 27 NH1 ARG A 2 -7.088 1.705 -1.684 1.00 0.00 N ATOM 28 NH2 ARG A 2 -5.946 3.526 -0.880 1.00 0.00 N ATOM 0 H ARG A 2 -0.517 0.719 -1.313 1.00 0.00 H new ATOM 0 HA ARG A 2 -1.264 -0.985 -3.438 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.338 1.582 -2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.085 0.875 -3.667 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.285 -1.299 -2.309 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.834 -0.353 -0.905 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.258 0.060 -2.693 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.256 -0.463 -1.020 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.967 2.024 -0.996 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.097 0.735 -2.000 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.953 2.245 -1.671 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.074 3.959 -0.576 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.813 4.063 -0.869 1.00 0.00 H new ATOM 42 N GLU A 3 -0.084 1.980 -4.264 1.00 0.00 N ATOM 43 CA GLU A 3 0.429 2.770 -5.377 1.00 0.00 C ATOM 44 C GLU A 3 1.433 1.966 -6.198 1.00 0.00 C ATOM 45 O GLU A 3 1.500 2.102 -7.419 1.00 0.00 O ATOM 46 CB GLU A 3 1.086 4.052 -4.861 1.00 0.00 C ATOM 47 CG GLU A 3 0.107 5.023 -4.222 1.00 0.00 C ATOM 48 CD GLU A 3 -0.858 5.625 -5.225 1.00 0.00 C ATOM 49 OE1 GLU A 3 -0.507 6.652 -5.844 1.00 0.00 O ATOM 50 OE2 GLU A 3 -1.963 5.068 -5.392 1.00 0.00 O ATOM 0 H GLU A 3 0.033 2.415 -3.349 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.411 3.034 -6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.852 3.789 -4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.591 4.550 -5.689 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -0.457 4.506 -3.446 1.00 0.00 H new ATOM 0 HG3 GLU A 3 0.662 5.823 -3.733 1.00 0.00 H new ATOM 57 N GLU A 4 2.210 1.130 -5.517 1.00 0.00 N ATOM 58 CA GLU A 4 3.212 0.306 -6.184 1.00 0.00 C ATOM 59 C GLU A 4 2.551 -0.702 -7.120 1.00 0.00 C ATOM 60 O GLU A 4 2.970 -0.868 -8.266 1.00 0.00 O ATOM 61 CB GLU A 4 4.070 -0.428 -5.151 1.00 0.00 C ATOM 62 CG GLU A 4 4.984 0.490 -4.357 1.00 0.00 C ATOM 63 CD GLU A 4 6.159 0.992 -5.173 1.00 0.00 C ATOM 64 OE1 GLU A 4 6.413 0.426 -6.256 1.00 0.00 O ATOM 65 OE2 GLU A 4 6.824 1.951 -4.728 1.00 0.00 O ATOM 0 H GLU A 4 2.165 1.005 -4.506 1.00 0.00 H new ATOM 0 HA GLU A 4 3.850 0.962 -6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.416 -0.961 -4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.675 -1.178 -5.661 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.410 1.342 -3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.356 -0.042 -3.481 1.00 0.00 H new ATOM 72 N MET A 5 1.517 -1.373 -6.624 1.00 0.00 N ATOM 73 CA MET A 5 0.798 -2.364 -7.416 1.00 0.00 C ATOM 74 C MET A 5 0.113 -1.711 -8.612 1.00 0.00 C ATOM 75 O MET A 5 0.159 -2.232 -9.727 1.00 0.00 O ATOM 76 CB MET A 5 -0.239 -3.085 -6.551 1.00 0.00 C ATOM 77 CG MET A 5 0.322 -3.603 -5.237 1.00 0.00 C ATOM 78 SD MET A 5 1.683 -4.762 -5.471 1.00 0.00 S ATOM 79 CE MET A 5 2.833 -4.189 -4.223 1.00 0.00 C ATOM 0 H MET A 5 1.158 -1.249 -5.677 1.00 0.00 H new ATOM 0 HA MET A 5 1.521 -3.091 -7.786 1.00 0.00 H new ATOM 0 HB2 MET A 5 -1.063 -2.403 -6.341 1.00 0.00 H new ATOM 0 HB3 MET A 5 -0.653 -3.921 -7.115 1.00 0.00 H new ATOM 0 HG2 MET A 5 0.666 -2.761 -4.636 1.00 0.00 H new ATOM 0 HG3 MET A 5 -0.473 -4.092 -4.674 1.00 0.00 H new ATOM 0 HE1 MET A 5 3.555 -4.976 -4.005 1.00 0.00 H new ATOM 0 HE2 MET A 5 3.357 -3.306 -4.589 1.00 0.00 H new ATOM 0 HE3 MET A 5 2.287 -3.936 -3.314 1.00 0.00 H new ATOM 89 N VAL A 6 -0.522 -0.567 -8.374 1.00 0.00 N ATOM 90 CA VAL A 6 -1.215 0.157 -9.433 1.00 0.00 C ATOM 91 C VAL A 6 -0.233 0.674 -10.478 1.00 0.00 C ATOM 92 O VAL A 6 -0.459 0.536 -11.680 1.00 0.00 O ATOM 93 CB VAL A 6 -2.018 1.343 -8.867 1.00 0.00 C ATOM 94 CG1 VAL A 6 -2.703 2.108 -9.990 1.00 0.00 C ATOM 95 CG2 VAL A 6 -3.035 0.859 -7.844 1.00 0.00 C ATOM 0 H VAL A 6 -0.571 -0.122 -7.457 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.902 -0.547 -9.902 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.327 2.021 -8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.266 2.942 -9.571 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.952 2.488 -10.682 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.383 1.442 -10.522 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.593 1.711 -7.455 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.724 0.160 -8.318 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.518 0.359 -7.025 1.00 0.00 H new ATOM 105 N LYS A 7 0.859 1.271 -10.012 1.00 0.00 N ATOM 106 CA LYS A 7 1.878 1.809 -10.906 1.00 0.00 C ATOM 107 C LYS A 7 2.469 0.708 -11.782 1.00 0.00 C ATOM 108 O LYS A 7 2.636 0.884 -12.989 1.00 0.00 O ATOM 109 CB LYS A 7 2.988 2.485 -10.099 1.00 0.00 C ATOM 110 CG LYS A 7 3.871 3.402 -10.928 1.00 0.00 C ATOM 111 CD LYS A 7 5.238 3.585 -10.291 1.00 0.00 C ATOM 112 CE LYS A 7 6.172 4.377 -11.194 1.00 0.00 C ATOM 113 NZ LYS A 7 5.991 5.846 -11.026 1.00 0.00 N ATOM 0 H LYS A 7 1.061 1.395 -9.020 1.00 0.00 H new ATOM 0 HA LYS A 7 1.406 2.549 -11.552 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.538 3.061 -9.290 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.609 1.717 -9.637 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.988 2.988 -11.930 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.387 4.372 -11.038 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.130 4.100 -9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.676 2.609 -10.079 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.205 4.110 -10.971 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.990 4.105 -12.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.645 6.351 -11.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.012 6.104 -11.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.190 6.110 -10.040 1.00 0.00 H new ATOM 127 N LYS A 8 2.783 -0.427 -11.166 1.00 0.00 N ATOM 128 CA LYS A 8 3.353 -1.557 -11.889 1.00 0.00 C ATOM 129 C LYS A 8 2.370 -2.091 -12.927 1.00 0.00 C ATOM 130 O LYS A 8 2.738 -2.330 -14.078 1.00 0.00 O ATOM 131 CB LYS A 8 3.735 -2.672 -10.913 1.00 0.00 C ATOM 132 CG LYS A 8 4.949 -3.474 -11.351 1.00 0.00 C ATOM 133 CD LYS A 8 4.881 -4.907 -10.849 1.00 0.00 C ATOM 134 CE LYS A 8 6.270 -5.496 -10.659 1.00 0.00 C ATOM 135 NZ LYS A 8 6.281 -6.570 -9.627 1.00 0.00 N ATOM 0 H LYS A 8 2.652 -0.588 -10.167 1.00 0.00 H new ATOM 0 HA LYS A 8 4.248 -1.211 -12.406 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.933 -2.235 -9.934 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.887 -3.347 -10.795 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.015 -3.471 -12.439 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.855 -2.999 -10.976 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.339 -4.937 -9.904 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.320 -5.516 -11.558 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.626 -5.900 -11.607 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.963 -4.706 -10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.246 -6.946 -9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.966 -6.179 -8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.639 -7.336 -9.916 1.00 0.00 H new ATOM 149 N CYS A 9 1.121 -2.273 -12.513 1.00 0.00 N ATOM 150 CA CYS A 9 0.085 -2.777 -13.408 1.00 0.00 C ATOM 151 C CYS A 9 -0.045 -1.891 -14.643 1.00 0.00 C ATOM 152 O CYS A 9 -0.031 -2.378 -15.774 1.00 0.00 O ATOM 153 CB CYS A 9 -1.256 -2.855 -12.677 1.00 0.00 C ATOM 154 SG CYS A 9 -2.250 -4.301 -13.111 1.00 0.00 S ATOM 0 H CYS A 9 0.801 -2.079 -11.564 1.00 0.00 H new ATOM 0 HA CYS A 9 0.373 -3.778 -13.730 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.072 -2.863 -11.603 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.830 -1.954 -12.895 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.164 -3.958 -13.969 1.00 0.00 H new ATOM 160 N LEU A 10 -0.175 -0.588 -14.418 1.00 0.00 N ATOM 161 CA LEU A 10 -0.311 0.367 -15.512 1.00 0.00 C ATOM 162 C LEU A 10 0.907 0.319 -16.431 1.00 0.00 C ATOM 163 O LEU A 10 0.774 0.295 -17.653 1.00 0.00 O ATOM 164 CB LEU A 10 -0.492 1.782 -14.961 1.00 0.00 C ATOM 165 CG LEU A 10 -1.465 2.681 -15.725 1.00 0.00 C ATOM 166 CD1 LEU A 10 -2.857 2.067 -15.743 1.00 0.00 C ATOM 167 CD2 LEU A 10 -1.502 4.072 -15.110 1.00 0.00 C ATOM 0 H LEU A 10 -0.189 -0.169 -13.488 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.193 0.094 -16.092 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.832 1.707 -13.928 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.483 2.270 -14.941 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.116 2.770 -16.754 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.536 2.721 -16.291 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.819 1.093 -16.230 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.215 1.947 -14.720 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.200 4.698 -15.667 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.826 4.002 -14.072 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.507 4.514 -15.150 1.00 0.00 H new ATOM 179 N GLY A 11 2.094 0.304 -15.831 1.00 0.00 N ATOM 180 CA GLY A 11 3.317 0.257 -16.610 1.00 0.00 C ATOM 181 C GLY A 11 3.379 -0.953 -17.520 1.00 0.00 C ATOM 182 O GLY A 11 3.832 -0.858 -18.660 1.00 0.00 O ATOM 0 H GLY A 11 2.230 0.324 -14.820 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.397 1.163 -17.210 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.173 0.245 -15.936 1.00 0.00 H new ATOM 186 N GLU A 12 2.925 -2.096 -17.014 1.00 0.00 N ATOM 187 CA GLU A 12 2.934 -3.331 -17.789 1.00 0.00 C ATOM 188 C GLU A 12 1.787 -3.350 -18.796 1.00 0.00 C ATOM 189 O GLU A 12 1.918 -3.892 -19.894 1.00 0.00 O ATOM 190 CB GLU A 12 2.832 -4.543 -16.861 1.00 0.00 C ATOM 191 CG GLU A 12 4.143 -4.899 -16.180 1.00 0.00 C ATOM 192 CD GLU A 12 5.130 -5.559 -17.124 1.00 0.00 C ATOM 193 OE1 GLU A 12 4.694 -6.073 -18.175 1.00 0.00 O ATOM 194 OE2 GLU A 12 6.339 -5.561 -16.811 1.00 0.00 O ATOM 0 H GLU A 12 2.547 -2.192 -16.072 1.00 0.00 H new ATOM 0 HA GLU A 12 3.876 -3.379 -18.336 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.078 -4.344 -16.099 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.486 -5.402 -17.436 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.590 -3.995 -15.766 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.943 -5.568 -15.343 1.00 0.00 H new ATOM 201 N LEU A 13 0.662 -2.755 -18.413 1.00 0.00 N ATOM 202 CA LEU A 13 -0.509 -2.703 -19.281 1.00 0.00 C ATOM 203 C LEU A 13 -0.232 -1.857 -20.520 1.00 0.00 C ATOM 204 O LEU A 13 -0.751 -2.133 -21.602 1.00 0.00 O ATOM 205 CB LEU A 13 -1.708 -2.134 -18.519 1.00 0.00 C ATOM 206 CG LEU A 13 -2.873 -3.096 -18.285 1.00 0.00 C ATOM 207 CD1 LEU A 13 -3.322 -3.720 -19.597 1.00 0.00 C ATOM 208 CD2 LEU A 13 -2.480 -4.175 -17.286 1.00 0.00 C ATOM 0 H LEU A 13 0.536 -2.302 -17.508 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.738 -3.719 -19.602 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.360 -1.774 -17.551 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.082 -1.268 -19.065 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.708 -2.531 -17.871 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.152 -4.402 -19.410 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.644 -2.935 -20.282 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.493 -4.271 -20.041 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.321 -4.851 -17.131 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.629 -4.736 -17.673 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.208 -3.711 -16.338 1.00 0.00 H new ATOM 220 N THR A 14 0.591 -0.827 -20.355 1.00 0.00 N ATOM 221 CA THR A 14 0.938 0.058 -21.460 1.00 0.00 C ATOM 222 C THR A 14 1.791 -0.665 -22.496 1.00 0.00 C ATOM 223 O THR A 14 1.520 -0.593 -23.694 1.00 0.00 O ATOM 224 CB THR A 14 1.698 1.303 -20.964 1.00 0.00 C ATOM 225 OG1 THR A 14 0.852 2.089 -20.118 1.00 0.00 O ATOM 226 CG2 THR A 14 2.177 2.147 -22.136 1.00 0.00 C ATOM 0 H THR A 14 1.030 -0.585 -19.467 1.00 0.00 H new ATOM 0 HA THR A 14 0.001 0.372 -21.920 1.00 0.00 H new ATOM 0 HB THR A 14 2.567 0.969 -20.398 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.727 1.629 -19.262 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.711 3.020 -21.761 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.844 1.555 -22.762 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.319 2.471 -22.725 1.00 0.00 H new ATOM 234 N GLU A 15 2.822 -1.361 -22.027 1.00 0.00 N ATOM 235 CA GLU A 15 3.713 -2.097 -22.915 1.00 0.00 C ATOM 236 C GLU A 15 2.984 -3.265 -23.573 1.00 0.00 C ATOM 237 O GLU A 15 3.184 -3.551 -24.753 1.00 0.00 O ATOM 238 CB GLU A 15 4.929 -2.611 -22.141 1.00 0.00 C ATOM 239 CG GLU A 15 4.570 -3.349 -20.862 1.00 0.00 C ATOM 240 CD GLU A 15 5.775 -3.981 -20.195 1.00 0.00 C ATOM 241 OE1 GLU A 15 6.099 -5.140 -20.528 1.00 0.00 O ATOM 242 OE2 GLU A 15 6.396 -3.316 -19.339 1.00 0.00 O ATOM 0 H GLU A 15 3.060 -1.430 -21.038 1.00 0.00 H new ATOM 0 HA GLU A 15 4.049 -1.416 -23.696 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.504 -3.276 -22.785 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.575 -1.768 -21.895 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.097 -2.655 -20.167 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.837 -4.123 -21.087 1.00 0.00 H new ATOM 249 N VAL A 16 2.137 -3.937 -22.799 1.00 0.00 N ATOM 250 CA VAL A 16 1.377 -5.073 -23.306 1.00 0.00 C ATOM 251 C VAL A 16 0.407 -4.642 -24.400 1.00 0.00 C ATOM 252 O VAL A 16 0.351 -5.251 -25.469 1.00 0.00 O ATOM 253 CB VAL A 16 0.588 -5.767 -22.180 1.00 0.00 C ATOM 254 CG1 VAL A 16 -0.381 -6.788 -22.757 1.00 0.00 C ATOM 255 CG2 VAL A 16 1.538 -6.423 -21.189 1.00 0.00 C ATOM 0 H VAL A 16 1.960 -3.714 -21.819 1.00 0.00 H new ATOM 0 HA VAL A 16 2.099 -5.776 -23.721 1.00 0.00 H new ATOM 0 HB VAL A 16 0.009 -5.012 -21.648 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.929 -7.268 -21.946 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.083 -6.287 -23.423 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.174 -7.542 -23.315 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.963 -6.908 -20.400 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.146 -7.166 -21.705 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.187 -5.665 -20.751 1.00 0.00 H new ATOM 265 N CYS A 17 -0.355 -3.589 -24.126 1.00 0.00 N ATOM 266 CA CYS A 17 -1.324 -3.075 -25.088 1.00 0.00 C ATOM 267 C CYS A 17 -0.620 -2.408 -26.265 1.00 0.00 C ATOM 268 O CYS A 17 -1.139 -2.387 -27.382 1.00 0.00 O ATOM 269 CB CYS A 17 -2.267 -2.080 -24.411 1.00 0.00 C ATOM 270 SG CYS A 17 -1.524 -0.464 -24.086 1.00 0.00 S ATOM 0 H CYS A 17 -0.321 -3.074 -23.246 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.906 -3.916 -25.466 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.147 -1.944 -25.040 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.612 -2.506 -23.469 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.247 -0.605 -23.888 1.00 0.00 H new ATOM 276 N LYS A 18 0.564 -1.863 -26.008 1.00 0.00 N ATOM 277 CA LYS A 18 1.340 -1.193 -27.046 1.00 0.00 C ATOM 278 C LYS A 18 1.879 -2.200 -28.056 1.00 0.00 C ATOM 279 O LYS A 18 1.752 -2.008 -29.266 1.00 0.00 O ATOM 280 CB LYS A 18 2.498 -0.412 -26.421 1.00 0.00 C ATOM 281 CG LYS A 18 3.362 0.312 -27.438 1.00 0.00 C ATOM 282 CD LYS A 18 4.244 1.358 -26.778 1.00 0.00 C ATOM 283 CE LYS A 18 5.446 0.724 -26.095 1.00 0.00 C ATOM 284 NZ LYS A 18 6.382 1.748 -25.555 1.00 0.00 N ATOM 0 H LYS A 18 1.008 -1.872 -25.090 1.00 0.00 H new ATOM 0 HA LYS A 18 0.681 -0.499 -27.567 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.096 0.315 -25.715 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.122 -1.099 -25.850 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.985 -0.410 -27.966 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.726 0.789 -28.183 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.585 2.073 -27.527 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.661 1.917 -26.046 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.105 0.080 -25.284 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.974 0.088 -26.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.187 1.275 -25.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.728 2.347 -26.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.886 2.339 -24.858 1.00 0.00 H new ATOM 298 N SER A 19 2.480 -3.274 -27.553 1.00 0.00 N ATOM 299 CA SER A 19 3.040 -4.310 -28.413 1.00 0.00 C ATOM 300 C SER A 19 1.937 -5.051 -29.160 1.00 0.00 C ATOM 301 O SER A 19 2.035 -5.284 -30.366 1.00 0.00 O ATOM 302 CB SER A 19 3.865 -5.298 -27.585 1.00 0.00 C ATOM 303 OG SER A 19 4.813 -4.621 -26.778 1.00 0.00 O ATOM 0 H SER A 19 2.591 -3.449 -26.554 1.00 0.00 H new ATOM 0 HA SER A 19 3.689 -3.829 -29.145 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.202 -5.890 -26.954 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.379 -5.993 -28.249 1.00 0.00 H new ATOM 0 HG SER A 19 4.356 -4.196 -26.023 1.00 0.00 H new ATOM 309 N LEU A 20 0.886 -5.421 -28.436 1.00 0.00 N ATOM 310 CA LEU A 20 -0.238 -6.137 -29.029 1.00 0.00 C ATOM 311 C LEU A 20 -0.962 -5.265 -30.050 1.00 0.00 C ATOM 312 O LEU A 20 -1.418 -5.751 -31.084 1.00 0.00 O ATOM 313 CB LEU A 20 -1.215 -6.584 -27.940 1.00 0.00 C ATOM 314 CG LEU A 20 -0.973 -7.974 -27.351 1.00 0.00 C ATOM 315 CD1 LEU A 20 0.290 -7.983 -26.505 1.00 0.00 C ATOM 316 CD2 LEU A 20 -2.172 -8.420 -26.527 1.00 0.00 C ATOM 0 H LEU A 20 0.789 -5.237 -27.437 1.00 0.00 H new ATOM 0 HA LEU A 20 0.153 -7.016 -29.541 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.181 -5.857 -27.129 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.224 -6.556 -28.351 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.840 -8.678 -28.173 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.446 -8.981 -26.094 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.144 -7.708 -27.124 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.187 -7.267 -25.690 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.982 -9.411 -26.116 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.337 -7.714 -25.713 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.057 -8.454 -27.162 1.00 0.00 H new ATOM 328 N GLY A 21 -1.061 -3.973 -29.753 1.00 0.00 N ATOM 329 CA GLY A 21 -1.728 -3.053 -30.656 1.00 0.00 C ATOM 330 C GLY A 21 -0.919 -2.781 -31.908 1.00 0.00 C ATOM 331 O GLY A 21 -1.478 -2.588 -32.988 1.00 0.00 O ATOM 0 H GLY A 21 -0.691 -3.547 -28.903 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.698 -3.463 -30.936 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.917 -2.113 -30.138 1.00 0.00 H new ATOM 335 N LYS A 22 0.402 -2.763 -31.765 1.00 0.00 N ATOM 336 CA LYS A 22 1.291 -2.512 -32.894 1.00 0.00 C ATOM 337 C LYS A 22 1.346 -3.721 -33.822 1.00 0.00 C ATOM 338 O LYS A 22 1.403 -3.577 -35.043 1.00 0.00 O ATOM 339 CB LYS A 22 2.697 -2.173 -32.395 1.00 0.00 C ATOM 340 CG LYS A 22 3.667 -3.339 -32.470 1.00 0.00 C ATOM 341 CD LYS A 22 5.012 -2.987 -31.857 1.00 0.00 C ATOM 342 CE LYS A 22 5.912 -2.278 -32.858 1.00 0.00 C ATOM 343 NZ LYS A 22 7.269 -2.024 -32.300 1.00 0.00 N ATOM 0 H LYS A 22 0.881 -2.919 -30.878 1.00 0.00 H new ATOM 0 HA LYS A 22 0.897 -1.664 -33.455 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.092 -1.344 -32.983 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.634 -1.830 -31.362 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.244 -4.199 -31.951 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.806 -3.631 -33.511 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.861 -2.349 -30.986 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.502 -3.895 -31.505 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.998 -2.882 -33.761 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.456 -1.332 -33.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.852 -1.540 -33.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.190 -1.426 -31.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.714 -2.929 -32.045 1.00 0.00 H new ATOM 357 N VAL A 23 1.328 -4.914 -33.235 1.00 0.00 N ATOM 358 CA VAL A 23 1.374 -6.148 -34.009 1.00 0.00 C ATOM 359 C VAL A 23 0.038 -6.418 -34.692 1.00 0.00 C ATOM 360 O VAL A 23 -0.007 -6.875 -35.834 1.00 0.00 O ATOM 361 CB VAL A 23 1.739 -7.354 -33.123 1.00 0.00 C ATOM 362 CG1 VAL A 23 3.136 -7.188 -32.545 1.00 0.00 C ATOM 363 CG2 VAL A 23 0.712 -7.530 -32.015 1.00 0.00 C ATOM 0 H VAL A 23 1.282 -5.051 -32.225 1.00 0.00 H new ATOM 0 HA VAL A 23 2.146 -6.018 -34.767 1.00 0.00 H new ATOM 0 HB VAL A 23 1.732 -8.252 -33.740 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.377 -8.049 -31.922 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.859 -7.114 -33.357 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.175 -6.281 -31.941 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.985 -8.386 -31.398 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.685 -6.632 -31.398 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.272 -7.698 -32.454 1.00 0.00 H new ATOM 373 N PHE A 24 -1.050 -6.134 -33.984 1.00 0.00 N ATOM 374 CA PHE A 24 -2.389 -6.347 -34.521 1.00 0.00 C ATOM 375 C PHE A 24 -2.717 -5.309 -35.590 1.00 0.00 C ATOM 376 O PHE A 24 -3.695 -5.446 -36.324 1.00 0.00 O ATOM 377 CB PHE A 24 -3.427 -6.285 -33.398 1.00 0.00 C ATOM 378 CG PHE A 24 -3.685 -7.613 -32.746 1.00 0.00 C ATOM 379 CD1 PHE A 24 -3.995 -8.727 -33.511 1.00 0.00 C ATOM 380 CD2 PHE A 24 -3.617 -7.749 -31.369 1.00 0.00 C ATOM 381 CE1 PHE A 24 -4.232 -9.951 -32.914 1.00 0.00 C ATOM 382 CE2 PHE A 24 -3.853 -8.970 -30.767 1.00 0.00 C ATOM 383 CZ PHE A 24 -4.162 -10.072 -31.540 1.00 0.00 C ATOM 0 H PHE A 24 -1.031 -5.756 -33.037 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.418 -7.336 -34.979 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.090 -5.577 -32.641 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.363 -5.899 -33.801 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.052 -8.637 -34.586 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.377 -6.891 -30.759 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.472 -10.811 -33.521 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.796 -9.063 -29.692 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.349 -11.027 -31.071 1.00 0.00 H new ATOM 393 N GLY A 25 -1.892 -4.269 -35.671 1.00 0.00 N ATOM 394 CA GLY A 25 -2.111 -3.223 -36.652 1.00 0.00 C ATOM 395 C GLY A 25 -3.236 -2.286 -36.260 1.00 0.00 C ATOM 396 O GLY A 25 -4.081 -1.939 -37.084 1.00 0.00 O ATOM 0 H GLY A 25 -1.076 -4.133 -35.074 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.193 -2.650 -36.778 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.339 -3.676 -37.617 1.00 0.00 H new ATOM 400 N VAL A 26 -3.248 -1.876 -34.995 1.00 0.00 N ATOM 401 CA VAL A 26 -4.278 -0.974 -34.494 1.00 0.00 C ATOM 402 C VAL A 26 -3.747 -0.112 -33.354 1.00 0.00 C ATOM 403 O VAL A 26 -3.073 -0.607 -32.449 1.00 0.00 O ATOM 404 CB VAL A 26 -5.514 -1.750 -34.003 1.00 0.00 C ATOM 405 CG1 VAL A 26 -6.323 -2.269 -35.183 1.00 0.00 C ATOM 406 CG2 VAL A 26 -5.097 -2.892 -33.089 1.00 0.00 C ATOM 0 H VAL A 26 -2.556 -2.154 -34.299 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.568 -0.333 -35.326 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.145 -1.069 -33.432 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.192 -2.815 -34.816 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.653 -1.430 -35.795 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.704 -2.935 -35.784 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.983 -3.430 -32.751 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.444 -3.574 -33.634 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.565 -2.492 -32.226 1.00 0.00 H new ATOM 416 N HIS A 27 -4.054 1.180 -33.403 1.00 0.00 N ATOM 417 CA HIS A 27 -3.608 2.111 -32.373 1.00 0.00 C ATOM 418 C HIS A 27 -4.034 1.634 -30.987 1.00 0.00 C ATOM 419 O HIS A 27 -5.079 1.003 -30.832 1.00 0.00 O ATOM 420 CB HIS A 27 -4.171 3.508 -32.639 1.00 0.00 C ATOM 421 CG HIS A 27 -3.594 4.164 -33.856 1.00 0.00 C ATOM 422 ND1 HIS A 27 -2.253 4.456 -33.989 1.00 0.00 N ATOM 423 CD2 HIS A 27 -4.184 4.583 -35.000 1.00 0.00 C ATOM 424 CE1 HIS A 27 -2.043 5.028 -35.161 1.00 0.00 C ATOM 425 NE2 HIS A 27 -3.199 5.117 -35.794 1.00 0.00 N ATOM 0 H HIS A 27 -4.610 1.606 -34.145 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.519 2.154 -32.405 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.253 3.439 -32.752 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.980 4.139 -31.771 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.234 4.511 -35.243 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -1.089 5.365 -35.538 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.338 5.517 -36.722 1.00 0.00 H new ATOM 433 N TYR A 28 -3.218 1.940 -29.985 1.00 0.00 N ATOM 434 CA TYR A 28 -3.509 1.539 -28.613 1.00 0.00 C ATOM 435 C TYR A 28 -4.879 2.049 -28.176 1.00 0.00 C ATOM 436 O TYR A 28 -5.593 1.381 -27.427 1.00 0.00 O ATOM 437 CB TYR A 28 -2.430 2.067 -27.666 1.00 0.00 C ATOM 438 CG TYR A 28 -2.323 3.575 -27.650 1.00 0.00 C ATOM 439 CD1 TYR A 28 -1.497 4.242 -28.546 1.00 0.00 C ATOM 440 CD2 TYR A 28 -3.047 4.333 -26.738 1.00 0.00 C ATOM 441 CE1 TYR A 28 -1.395 5.620 -28.535 1.00 0.00 C ATOM 442 CE2 TYR A 28 -2.953 5.711 -26.721 1.00 0.00 C ATOM 443 CZ TYR A 28 -2.126 6.350 -27.621 1.00 0.00 C ATOM 444 OH TYR A 28 -2.028 7.722 -27.605 1.00 0.00 O ATOM 0 H TYR A 28 -2.350 2.464 -30.096 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.517 0.450 -28.573 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.641 1.716 -26.656 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.467 1.646 -27.955 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.924 3.673 -29.264 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.694 3.836 -26.030 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.747 6.122 -29.238 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.524 6.285 -26.007 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.608 8.083 -26.902 1.00 0.00 H new ATOM 454 N PHE A 29 -5.240 3.237 -28.650 1.00 0.00 N ATOM 455 CA PHE A 29 -6.524 3.838 -28.309 1.00 0.00 C ATOM 456 C PHE A 29 -7.669 3.105 -29.001 1.00 0.00 C ATOM 457 O PHE A 29 -8.825 3.216 -28.597 1.00 0.00 O ATOM 458 CB PHE A 29 -6.539 5.317 -28.701 1.00 0.00 C ATOM 459 CG PHE A 29 -6.783 6.242 -27.543 1.00 0.00 C ATOM 460 CD1 PHE A 29 -7.963 6.172 -26.820 1.00 0.00 C ATOM 461 CD2 PHE A 29 -5.833 7.182 -27.178 1.00 0.00 C ATOM 462 CE1 PHE A 29 -8.191 7.021 -25.754 1.00 0.00 C ATOM 463 CE2 PHE A 29 -6.055 8.034 -26.112 1.00 0.00 C ATOM 464 CZ PHE A 29 -7.236 7.954 -25.400 1.00 0.00 C ATOM 0 H PHE A 29 -4.661 3.802 -29.271 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.661 3.754 -27.231 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.586 5.571 -29.164 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.312 5.477 -29.453 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.714 5.445 -27.093 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.909 7.250 -27.732 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.115 6.955 -25.198 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.306 8.761 -25.836 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.412 8.620 -24.568 1.00 0.00 H new ATOM 474 N ASN A 30 -7.337 2.356 -30.048 1.00 0.00 N ATOM 475 CA ASN A 30 -8.337 1.605 -30.798 1.00 0.00 C ATOM 476 C ASN A 30 -8.633 0.269 -30.124 1.00 0.00 C ATOM 477 O ASN A 30 -9.631 -0.384 -30.430 1.00 0.00 O ATOM 478 CB ASN A 30 -7.858 1.370 -32.232 1.00 0.00 C ATOM 479 CG ASN A 30 -8.992 0.995 -33.167 1.00 0.00 C ATOM 480 OD1 ASN A 30 -10.166 1.173 -32.839 1.00 0.00 O ATOM 481 ND2 ASN A 30 -8.646 0.472 -34.337 1.00 0.00 N ATOM 0 H ASN A 30 -6.384 2.253 -30.396 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.255 2.192 -30.820 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.370 2.272 -32.601 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.110 0.577 -32.237 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.366 0.199 -35.007 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.661 0.343 -34.566 1.00 0.00 H new ATOM 488 N ILE A 31 -7.760 -0.130 -29.205 1.00 0.00 N ATOM 489 CA ILE A 31 -7.930 -1.386 -28.486 1.00 0.00 C ATOM 490 C ILE A 31 -8.291 -1.140 -27.025 1.00 0.00 C ATOM 491 O ILE A 31 -9.099 -1.864 -26.444 1.00 0.00 O ATOM 492 CB ILE A 31 -6.654 -2.247 -28.550 1.00 0.00 C ATOM 493 CG1 ILE A 31 -5.426 -1.405 -28.198 1.00 0.00 C ATOM 494 CG2 ILE A 31 -6.501 -2.866 -29.931 1.00 0.00 C ATOM 495 CD1 ILE A 31 -4.131 -2.186 -28.223 1.00 0.00 C ATOM 0 H ILE A 31 -6.928 0.398 -28.941 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.745 -1.921 -28.973 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.740 -3.052 -27.820 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.353 -0.573 -28.899 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.563 -0.975 -27.206 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.595 -3.471 -29.960 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.365 -3.495 -30.145 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.434 -2.076 -30.679 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.303 -1.526 -27.964 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.184 -3.002 -27.502 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.971 -2.594 -29.221 1.00 0.00 H new ATOM 507 N PHE A 32 -7.687 -0.112 -26.438 1.00 0.00 N ATOM 508 CA PHE A 32 -7.946 0.232 -25.044 1.00 0.00 C ATOM 509 C PHE A 32 -7.776 1.730 -24.813 1.00 0.00 C ATOM 510 O PHE A 32 -6.930 2.373 -25.433 1.00 0.00 O ATOM 511 CB PHE A 32 -7.006 -0.548 -24.122 1.00 0.00 C ATOM 512 CG PHE A 32 -7.444 -1.964 -23.878 1.00 0.00 C ATOM 513 CD1 PHE A 32 -8.731 -2.240 -23.447 1.00 0.00 C ATOM 514 CD2 PHE A 32 -6.568 -3.018 -24.079 1.00 0.00 C ATOM 515 CE1 PHE A 32 -9.138 -3.542 -23.222 1.00 0.00 C ATOM 516 CE2 PHE A 32 -6.968 -4.322 -23.855 1.00 0.00 C ATOM 517 CZ PHE A 32 -8.254 -4.584 -23.425 1.00 0.00 C ATOM 0 H PHE A 32 -7.015 0.497 -26.905 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.977 -0.038 -24.814 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.007 -0.555 -24.557 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.934 -0.029 -23.166 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.425 -1.428 -23.285 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.561 -2.819 -24.415 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.145 -3.744 -22.888 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.276 -5.135 -24.016 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.568 -5.602 -23.248 1.00 0.00 H new ATOM 527 N ASN A 33 -8.588 2.280 -23.916 1.00 0.00 N ATOM 528 CA ASN A 33 -8.529 3.703 -23.603 1.00 0.00 C ATOM 529 C ASN A 33 -7.915 3.933 -22.226 1.00 0.00 C ATOM 530 O ASN A 33 -7.833 3.015 -21.409 1.00 0.00 O ATOM 531 CB ASN A 33 -9.930 4.317 -23.658 1.00 0.00 C ATOM 532 CG ASN A 33 -10.738 3.809 -24.836 1.00 0.00 C ATOM 533 OD1 ASN A 33 -11.273 2.701 -24.805 1.00 0.00 O ATOM 534 ND2 ASN A 33 -10.830 4.621 -25.883 1.00 0.00 N ATOM 0 H ASN A 33 -9.294 1.762 -23.393 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.897 4.187 -24.348 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.460 4.090 -22.733 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.846 5.402 -23.719 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.361 4.334 -26.705 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.370 5.531 -25.865 1.00 0.00 H new ATOM 541 N THR A 34 -7.483 5.165 -21.973 1.00 0.00 N ATOM 542 CA THR A 34 -6.876 5.515 -20.696 1.00 0.00 C ATOM 543 C THR A 34 -7.762 5.091 -19.531 1.00 0.00 C ATOM 544 O THR A 34 -7.279 4.557 -18.532 1.00 0.00 O ATOM 545 CB THR A 34 -6.608 7.029 -20.598 1.00 0.00 C ATOM 546 OG1 THR A 34 -6.154 7.362 -19.281 1.00 0.00 O ATOM 547 CG2 THR A 34 -7.864 7.823 -20.923 1.00 0.00 C ATOM 0 H THR A 34 -7.543 5.937 -22.637 1.00 0.00 H new ATOM 0 HA THR A 34 -5.927 4.981 -20.640 1.00 0.00 H new ATOM 0 HB THR A 34 -5.837 7.287 -21.324 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.984 8.326 -19.227 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.650 8.889 -20.847 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.190 7.589 -21.937 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.653 7.560 -20.218 1.00 0.00 H new ATOM 555 N VAL A 35 -9.063 5.332 -19.664 1.00 0.00 N ATOM 556 CA VAL A 35 -10.018 4.973 -18.623 1.00 0.00 C ATOM 557 C VAL A 35 -10.042 3.465 -18.396 1.00 0.00 C ATOM 558 O VAL A 35 -10.130 2.998 -17.260 1.00 0.00 O ATOM 559 CB VAL A 35 -11.439 5.451 -18.975 1.00 0.00 C ATOM 560 CG1 VAL A 35 -11.871 4.894 -20.323 1.00 0.00 C ATOM 561 CG2 VAL A 35 -12.421 5.052 -17.884 1.00 0.00 C ATOM 0 H VAL A 35 -9.479 5.775 -20.483 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.692 5.470 -17.709 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.431 6.539 -19.044 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.877 5.242 -20.555 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.182 5.235 -21.095 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.864 3.805 -20.286 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.420 5.398 -18.149 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.428 3.967 -17.780 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -12.119 5.505 -16.940 1.00 0.00 H new ATOM 571 N THR A 36 -9.964 2.707 -19.485 1.00 0.00 N ATOM 572 CA THR A 36 -9.978 1.252 -19.406 1.00 0.00 C ATOM 573 C THR A 36 -8.761 0.731 -18.651 1.00 0.00 C ATOM 574 O THR A 36 -8.888 -0.076 -17.728 1.00 0.00 O ATOM 575 CB THR A 36 -10.011 0.613 -20.807 1.00 0.00 C ATOM 576 OG1 THR A 36 -11.094 1.158 -21.568 1.00 0.00 O ATOM 577 CG2 THR A 36 -10.161 -0.898 -20.710 1.00 0.00 C ATOM 0 H THR A 36 -9.890 3.077 -20.433 1.00 0.00 H new ATOM 0 HA THR A 36 -10.884 0.974 -18.867 1.00 0.00 H new ATOM 0 HB THR A 36 -9.068 0.836 -21.306 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.934 0.739 -21.287 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.182 -1.327 -21.712 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.319 -1.312 -20.155 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.090 -1.139 -20.193 1.00 0.00 H new ATOM 585 N LEU A 37 -7.581 1.196 -19.046 1.00 0.00 N ATOM 586 CA LEU A 37 -6.339 0.777 -18.405 1.00 0.00 C ATOM 587 C LEU A 37 -6.341 1.142 -16.924 1.00 0.00 C ATOM 588 O LEU A 37 -5.930 0.348 -16.078 1.00 0.00 O ATOM 589 CB LEU A 37 -5.140 1.424 -19.101 1.00 0.00 C ATOM 590 CG LEU A 37 -5.096 1.293 -20.623 1.00 0.00 C ATOM 591 CD1 LEU A 37 -4.448 2.520 -21.246 1.00 0.00 C ATOM 592 CD2 LEU A 37 -4.350 0.030 -21.029 1.00 0.00 C ATOM 0 H LEU A 37 -7.458 1.864 -19.807 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.260 -0.307 -18.493 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.127 2.484 -18.847 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.229 0.987 -18.692 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.119 1.221 -20.992 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.425 2.409 -22.330 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.024 3.408 -20.984 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.430 2.624 -20.871 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.329 -0.046 -22.116 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.330 0.072 -20.648 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.857 -0.841 -20.614 1.00 0.00 H new ATOM 604 N LYS A 38 -6.806 2.348 -16.618 1.00 0.00 N ATOM 605 CA LYS A 38 -6.866 2.818 -15.239 1.00 0.00 C ATOM 606 C LYS A 38 -7.791 1.939 -14.404 1.00 0.00 C ATOM 607 O LYS A 38 -7.484 1.609 -13.258 1.00 0.00 O ATOM 608 CB LYS A 38 -7.346 4.270 -15.194 1.00 0.00 C ATOM 609 CG LYS A 38 -7.214 4.912 -13.824 1.00 0.00 C ATOM 610 CD LYS A 38 -7.226 6.429 -13.915 1.00 0.00 C ATOM 611 CE LYS A 38 -5.852 6.976 -14.273 1.00 0.00 C ATOM 612 NZ LYS A 38 -5.909 8.418 -14.644 1.00 0.00 N ATOM 0 H LYS A 38 -7.147 3.018 -17.307 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.862 2.761 -14.818 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.776 4.855 -15.916 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.390 4.309 -15.505 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.031 4.579 -13.185 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.287 4.582 -13.354 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.951 6.744 -14.665 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.550 6.849 -12.963 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.177 6.845 -13.427 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.438 6.403 -15.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.954 8.753 -14.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.533 8.540 -15.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.280 8.968 -13.843 1.00 0.00 H new ATOM 626 N LYS A 39 -8.925 1.562 -14.984 1.00 0.00 N ATOM 627 CA LYS A 39 -9.895 0.720 -14.295 1.00 0.00 C ATOM 628 C LYS A 39 -9.297 -0.646 -13.973 1.00 0.00 C ATOM 629 O LYS A 39 -9.387 -1.123 -12.841 1.00 0.00 O ATOM 630 CB LYS A 39 -11.152 0.548 -15.151 1.00 0.00 C ATOM 631 CG LYS A 39 -12.032 1.786 -15.195 1.00 0.00 C ATOM 632 CD LYS A 39 -13.119 1.734 -14.135 1.00 0.00 C ATOM 633 CE LYS A 39 -14.082 2.904 -14.266 1.00 0.00 C ATOM 634 NZ LYS A 39 -15.350 2.665 -13.523 1.00 0.00 N ATOM 0 H LYS A 39 -9.195 1.827 -15.931 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.164 1.210 -13.359 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -10.857 0.286 -16.167 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.734 -0.288 -14.763 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.419 2.675 -15.046 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.488 1.875 -16.181 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.669 0.797 -14.222 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.664 1.745 -13.145 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.606 3.810 -13.890 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.305 3.075 -15.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.979 3.485 -13.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.817 1.815 -13.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.140 2.528 -12.514 1.00 0.00 H new ATOM 648 N LEU A 40 -8.685 -1.270 -14.973 1.00 0.00 N ATOM 649 CA LEU A 40 -8.070 -2.581 -14.796 1.00 0.00 C ATOM 650 C LEU A 40 -7.005 -2.539 -13.704 1.00 0.00 C ATOM 651 O LEU A 40 -7.102 -3.245 -12.701 1.00 0.00 O ATOM 652 CB LEU A 40 -7.451 -3.058 -16.110 1.00 0.00 C ATOM 653 CG LEU A 40 -8.397 -3.133 -17.309 1.00 0.00 C ATOM 654 CD1 LEU A 40 -7.614 -3.063 -18.612 1.00 0.00 C ATOM 655 CD2 LEU A 40 -9.229 -4.405 -17.253 1.00 0.00 C ATOM 0 H LEU A 40 -8.601 -0.889 -15.916 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.848 -3.282 -14.493 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.627 -2.391 -16.364 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.022 -4.047 -15.949 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.073 -2.279 -17.268 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.304 -3.118 -19.454 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.063 -2.124 -18.655 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.914 -3.897 -18.661 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.896 -4.441 -18.114 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.569 -5.272 -17.268 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.819 -4.414 -16.336 1.00 0.00 H new ATOM 667 N ALA A 41 -5.990 -1.705 -13.907 1.00 0.00 N ATOM 668 CA ALA A 41 -4.909 -1.568 -12.938 1.00 0.00 C ATOM 669 C ALA A 41 -5.452 -1.231 -11.554 1.00 0.00 C ATOM 670 O ALA A 41 -4.943 -1.714 -10.543 1.00 0.00 O ATOM 671 CB ALA A 41 -3.923 -0.503 -13.395 1.00 0.00 C ATOM 0 H ALA A 41 -5.894 -1.114 -14.733 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.389 -2.524 -12.872 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.121 -0.411 -12.662 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.502 -0.787 -14.360 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.438 0.453 -13.491 1.00 0.00 H new ATOM 677 N GLU A 42 -6.487 -0.397 -11.516 1.00 0.00 N ATOM 678 CA GLU A 42 -7.097 0.006 -10.255 1.00 0.00 C ATOM 679 C GLU A 42 -7.653 -1.204 -9.509 1.00 0.00 C ATOM 680 O GLU A 42 -7.426 -1.366 -8.310 1.00 0.00 O ATOM 681 CB GLU A 42 -8.213 1.022 -10.504 1.00 0.00 C ATOM 682 CG GLU A 42 -7.734 2.464 -10.503 1.00 0.00 C ATOM 683 CD GLU A 42 -8.841 3.447 -10.832 1.00 0.00 C ATOM 684 OE1 GLU A 42 -9.705 3.110 -11.668 1.00 0.00 O ATOM 685 OE2 GLU A 42 -8.844 4.553 -10.252 1.00 0.00 O ATOM 0 H GLU A 42 -6.920 0.012 -12.344 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.326 0.469 -9.639 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.683 0.805 -11.463 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.980 0.902 -9.739 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.319 2.704 -9.524 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.927 2.575 -11.227 1.00 0.00 H new ATOM 692 N SER A 43 -8.384 -2.050 -10.227 1.00 0.00 N ATOM 693 CA SER A 43 -8.977 -3.243 -9.633 1.00 0.00 C ATOM 694 C SER A 43 -7.902 -4.269 -9.287 1.00 0.00 C ATOM 695 O SER A 43 -7.877 -4.809 -8.180 1.00 0.00 O ATOM 696 CB SER A 43 -9.998 -3.861 -10.590 1.00 0.00 C ATOM 697 OG SER A 43 -10.379 -5.157 -10.162 1.00 0.00 O ATOM 0 H SER A 43 -8.580 -1.932 -11.221 1.00 0.00 H new ATOM 0 HA SER A 43 -9.483 -2.948 -8.714 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.878 -3.221 -10.650 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.574 -3.916 -11.593 1.00 0.00 H new ATOM 0 HG SER A 43 -10.614 -5.703 -10.941 1.00 0.00 H new ATOM 703 N LEU A 44 -7.016 -4.533 -10.240 1.00 0.00 N ATOM 704 CA LEU A 44 -5.937 -5.494 -10.038 1.00 0.00 C ATOM 705 C LEU A 44 -6.482 -6.823 -9.525 1.00 0.00 C ATOM 706 O LEU A 44 -6.430 -7.106 -8.328 1.00 0.00 O ATOM 707 CB LEU A 44 -4.909 -4.936 -9.052 1.00 0.00 C ATOM 708 CG LEU A 44 -3.668 -4.291 -9.669 1.00 0.00 C ATOM 709 CD1 LEU A 44 -3.156 -3.165 -8.785 1.00 0.00 C ATOM 710 CD2 LEU A 44 -2.581 -5.332 -9.894 1.00 0.00 C ATOM 0 H LEU A 44 -7.023 -4.095 -11.161 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.452 -5.667 -10.999 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.403 -4.196 -8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.586 -5.746 -8.398 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.944 -3.869 -10.635 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.272 -2.718 -9.240 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.931 -2.407 -8.676 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.897 -3.562 -7.804 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.705 -4.855 -10.334 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.307 -5.784 -8.941 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.951 -6.104 -10.569 1.00 0.00 H new ATOM 722 N SER A 45 -7.001 -7.636 -10.439 1.00 0.00 N ATOM 723 CA SER A 45 -7.556 -8.936 -10.079 1.00 0.00 C ATOM 724 C SER A 45 -7.853 -9.764 -11.325 1.00 0.00 C ATOM 725 O SER A 45 -8.371 -9.250 -12.317 1.00 0.00 O ATOM 726 CB SER A 45 -8.833 -8.758 -9.255 1.00 0.00 C ATOM 727 OG SER A 45 -8.622 -9.121 -7.902 1.00 0.00 O ATOM 0 H SER A 45 -7.049 -7.418 -11.434 1.00 0.00 H new ATOM 0 HA SER A 45 -6.816 -9.466 -9.480 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.163 -7.720 -9.309 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.631 -9.368 -9.678 1.00 0.00 H new ATOM 0 HG SER A 45 -7.848 -8.634 -7.550 1.00 0.00 H new ATOM 733 N SER A 46 -7.521 -11.050 -11.267 1.00 0.00 N ATOM 734 CA SER A 46 -7.747 -11.950 -12.392 1.00 0.00 C ATOM 735 C SER A 46 -9.239 -12.114 -12.664 1.00 0.00 C ATOM 736 O SER A 46 -9.647 -12.417 -13.785 1.00 0.00 O ATOM 737 CB SER A 46 -7.114 -13.315 -12.115 1.00 0.00 C ATOM 738 OG SER A 46 -6.403 -13.308 -10.890 1.00 0.00 O ATOM 0 H SER A 46 -7.095 -11.492 -10.453 1.00 0.00 H new ATOM 0 HA SER A 46 -7.280 -11.514 -13.275 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.890 -14.080 -12.084 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.439 -13.578 -12.929 1.00 0.00 H new ATOM 0 HG SER A 46 -6.678 -14.077 -10.348 1.00 0.00 H new ATOM 744 N ASP A 47 -10.048 -11.913 -11.629 1.00 0.00 N ATOM 745 CA ASP A 47 -11.496 -12.038 -11.755 1.00 0.00 C ATOM 746 C ASP A 47 -11.999 -11.300 -12.992 1.00 0.00 C ATOM 747 O ASP A 47 -12.056 -10.071 -13.032 1.00 0.00 O ATOM 748 CB ASP A 47 -12.187 -11.493 -10.504 1.00 0.00 C ATOM 749 CG ASP A 47 -11.737 -12.199 -9.240 1.00 0.00 C ATOM 750 OD1 ASP A 47 -12.284 -13.279 -8.938 1.00 0.00 O ATOM 751 OD2 ASP A 47 -10.837 -11.670 -8.553 1.00 0.00 O ATOM 0 H ASP A 47 -9.726 -11.663 -10.694 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.737 -13.096 -11.862 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.981 -10.426 -10.414 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.266 -11.601 -10.612 1.00 0.00 H new ATOM 756 N PRO A 48 -12.374 -12.067 -14.027 1.00 0.00 N ATOM 757 CA PRO A 48 -12.879 -11.507 -15.285 1.00 0.00 C ATOM 758 C PRO A 48 -14.258 -10.877 -15.126 1.00 0.00 C ATOM 759 O PRO A 48 -14.762 -10.228 -16.041 1.00 0.00 O ATOM 760 CB PRO A 48 -12.950 -12.724 -16.211 1.00 0.00 C ATOM 761 CG PRO A 48 -13.100 -13.889 -15.295 1.00 0.00 C ATOM 762 CD PRO A 48 -12.333 -13.539 -14.050 1.00 0.00 C ATOM 0 HA PRO A 48 -12.242 -10.706 -15.660 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.793 -12.650 -16.898 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -12.050 -12.812 -16.819 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.150 -14.074 -15.067 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.708 -14.798 -15.752 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.794 -13.968 -13.160 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.310 -13.912 -14.090 1.00 0.00 H new ATOM 770 N GLU A 49 -14.863 -11.073 -13.958 1.00 0.00 N ATOM 771 CA GLU A 49 -16.185 -10.524 -13.682 1.00 0.00 C ATOM 772 C GLU A 49 -16.126 -9.005 -13.551 1.00 0.00 C ATOM 773 O GLU A 49 -16.926 -8.287 -14.152 1.00 0.00 O ATOM 774 CB GLU A 49 -16.758 -11.135 -12.401 1.00 0.00 C ATOM 775 CG GLU A 49 -17.496 -12.443 -12.628 1.00 0.00 C ATOM 776 CD GLU A 49 -18.287 -12.885 -11.412 1.00 0.00 C ATOM 777 OE1 GLU A 49 -19.182 -12.130 -10.979 1.00 0.00 O ATOM 778 OE2 GLU A 49 -18.010 -13.988 -10.895 1.00 0.00 O ATOM 0 H GLU A 49 -14.459 -11.607 -13.189 1.00 0.00 H new ATOM 0 HA GLU A 49 -16.837 -10.775 -14.519 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -15.946 -11.304 -11.694 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.438 -10.419 -11.940 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -18.172 -12.332 -13.476 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.778 -13.220 -12.892 1.00 0.00 H new ATOM 785 N VAL A 50 -15.173 -8.521 -12.761 1.00 0.00 N ATOM 786 CA VAL A 50 -15.009 -7.087 -12.551 1.00 0.00 C ATOM 787 C VAL A 50 -14.568 -6.391 -13.834 1.00 0.00 C ATOM 788 O VAL A 50 -14.934 -5.242 -14.087 1.00 0.00 O ATOM 789 CB VAL A 50 -13.980 -6.797 -11.443 1.00 0.00 C ATOM 790 CG1 VAL A 50 -14.567 -7.105 -10.074 1.00 0.00 C ATOM 791 CG2 VAL A 50 -12.705 -7.594 -11.677 1.00 0.00 C ATOM 0 H VAL A 50 -14.503 -9.101 -12.256 1.00 0.00 H new ATOM 0 HA VAL A 50 -15.980 -6.698 -12.246 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.729 -5.737 -11.474 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.825 -6.894 -9.304 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -15.448 -6.485 -9.908 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.849 -8.157 -10.027 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.989 -7.376 -10.884 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.936 -8.659 -11.675 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.275 -7.318 -12.640 1.00 0.00 H new ATOM 801 N LEU A 51 -13.781 -7.093 -14.641 1.00 0.00 N ATOM 802 CA LEU A 51 -13.289 -6.543 -15.900 1.00 0.00 C ATOM 803 C LEU A 51 -14.433 -6.342 -16.889 1.00 0.00 C ATOM 804 O LEU A 51 -14.473 -5.347 -17.614 1.00 0.00 O ATOM 805 CB LEU A 51 -12.233 -7.469 -16.506 1.00 0.00 C ATOM 806 CG LEU A 51 -11.182 -8.013 -15.537 1.00 0.00 C ATOM 807 CD1 LEU A 51 -10.269 -9.003 -16.242 1.00 0.00 C ATOM 808 CD2 LEU A 51 -10.373 -6.875 -14.933 1.00 0.00 C ATOM 0 H LEU A 51 -13.469 -8.045 -14.446 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.837 -5.573 -15.693 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.742 -8.314 -16.970 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.720 -6.930 -17.302 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.695 -8.535 -14.729 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.528 -9.380 -15.537 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.861 -9.834 -16.625 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.763 -8.506 -17.070 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.630 -7.281 -14.246 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.870 -6.325 -15.728 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.039 -6.203 -14.392 1.00 0.00 H new ATOM 820 N LEU A 52 -15.362 -7.291 -16.912 1.00 0.00 N ATOM 821 CA LEU A 52 -16.509 -7.217 -17.811 1.00 0.00 C ATOM 822 C LEU A 52 -17.348 -5.976 -17.522 1.00 0.00 C ATOM 823 O LEU A 52 -18.070 -5.488 -18.391 1.00 0.00 O ATOM 824 CB LEU A 52 -17.371 -8.473 -17.673 1.00 0.00 C ATOM 825 CG LEU A 52 -18.403 -8.702 -18.778 1.00 0.00 C ATOM 826 CD1 LEU A 52 -17.714 -8.908 -20.118 1.00 0.00 C ATOM 827 CD2 LEU A 52 -19.288 -9.895 -18.443 1.00 0.00 C ATOM 0 H LEU A 52 -15.344 -8.121 -16.319 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.135 -7.150 -18.833 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -16.711 -9.340 -17.634 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -17.894 -8.427 -16.718 1.00 0.00 H new ATOM 0 HG LEU A 52 -19.033 -7.815 -18.849 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.464 -9.069 -20.892 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.124 -8.025 -20.363 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.059 -9.777 -20.061 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -20.016 -10.043 -19.240 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -18.672 -10.789 -18.344 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -19.810 -9.708 -17.505 1.00 0.00 H new ATOM 839 N GLN A 53 -17.245 -5.470 -16.297 1.00 0.00 N ATOM 840 CA GLN A 53 -17.994 -4.285 -15.895 1.00 0.00 C ATOM 841 C GLN A 53 -17.291 -3.014 -16.359 1.00 0.00 C ATOM 842 O GLN A 53 -17.917 -1.964 -16.503 1.00 0.00 O ATOM 843 CB GLN A 53 -18.170 -4.259 -14.376 1.00 0.00 C ATOM 844 CG GLN A 53 -19.110 -5.334 -13.854 1.00 0.00 C ATOM 845 CD GLN A 53 -19.476 -5.132 -12.397 1.00 0.00 C ATOM 846 OE1 GLN A 53 -20.653 -5.063 -12.044 1.00 0.00 O ATOM 847 NE2 GLN A 53 -18.465 -5.035 -11.540 1.00 0.00 N ATOM 0 H GLN A 53 -16.651 -5.862 -15.566 1.00 0.00 H new ATOM 0 HA GLN A 53 -18.976 -4.328 -16.367 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -17.195 -4.380 -13.904 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -18.549 -3.281 -14.079 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -20.019 -5.340 -14.456 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -18.642 -6.311 -13.975 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -17.504 -5.098 -11.876 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -18.650 -4.898 -10.546 1.00 0.00 H new ATOM 856 N ILE A 54 -15.986 -3.116 -16.591 1.00 0.00 N ATOM 857 CA ILE A 54 -15.199 -1.975 -17.040 1.00 0.00 C ATOM 858 C ILE A 54 -15.493 -1.643 -18.499 1.00 0.00 C ATOM 859 O ILE A 54 -15.410 -2.508 -19.372 1.00 0.00 O ATOM 860 CB ILE A 54 -13.689 -2.233 -16.879 1.00 0.00 C ATOM 861 CG1 ILE A 54 -13.360 -2.569 -15.423 1.00 0.00 C ATOM 862 CG2 ILE A 54 -12.892 -1.024 -17.342 1.00 0.00 C ATOM 863 CD1 ILE A 54 -11.911 -2.944 -15.202 1.00 0.00 C ATOM 0 H ILE A 54 -15.452 -3.977 -16.475 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.484 -1.130 -16.413 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.413 -3.085 -17.501 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.605 -1.711 -14.796 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.994 -3.393 -15.097 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.827 -1.222 -17.222 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.108 -0.826 -18.392 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.169 -0.155 -16.745 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.750 -3.169 -14.148 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.666 -3.821 -15.802 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.271 -2.113 -15.497 1.00 0.00 H new ATOM 875 N ASP A 55 -15.835 -0.386 -18.757 1.00 0.00 N ATOM 876 CA ASP A 55 -16.139 0.062 -20.111 1.00 0.00 C ATOM 877 C ASP A 55 -15.016 -0.314 -21.072 1.00 0.00 C ATOM 878 O ASP A 55 -13.867 0.086 -20.887 1.00 0.00 O ATOM 879 CB ASP A 55 -16.362 1.575 -20.133 1.00 0.00 C ATOM 880 CG ASP A 55 -17.672 1.977 -19.486 1.00 0.00 C ATOM 881 OD1 ASP A 55 -18.416 1.077 -19.041 1.00 0.00 O ATOM 882 OD2 ASP A 55 -17.955 3.191 -19.424 1.00 0.00 O ATOM 0 H ASP A 55 -15.909 0.342 -18.046 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.053 -0.436 -20.436 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -15.539 2.068 -19.616 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.347 1.926 -21.165 1.00 0.00 H new ATOM 887 N GLY A 56 -15.356 -1.086 -22.100 1.00 0.00 N ATOM 888 CA GLY A 56 -14.365 -1.504 -23.074 1.00 0.00 C ATOM 889 C GLY A 56 -13.772 -2.861 -22.752 1.00 0.00 C ATOM 890 O GLY A 56 -12.556 -3.047 -22.818 1.00 0.00 O ATOM 0 H GLY A 56 -16.300 -1.429 -22.275 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.823 -1.536 -24.063 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.567 -0.763 -23.117 1.00 0.00 H new ATOM 894 N VAL A 57 -14.631 -3.813 -22.400 1.00 0.00 N ATOM 895 CA VAL A 57 -14.185 -5.160 -22.066 1.00 0.00 C ATOM 896 C VAL A 57 -15.176 -6.206 -22.563 1.00 0.00 C ATOM 897 O VAL A 57 -16.145 -6.535 -21.878 1.00 0.00 O ATOM 898 CB VAL A 57 -13.997 -5.328 -20.546 1.00 0.00 C ATOM 899 CG1 VAL A 57 -13.566 -6.748 -20.215 1.00 0.00 C ATOM 900 CG2 VAL A 57 -12.988 -4.319 -20.020 1.00 0.00 C ATOM 0 H VAL A 57 -15.640 -3.676 -22.339 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.226 -5.308 -22.562 1.00 0.00 H new ATOM 0 HB VAL A 57 -14.953 -5.141 -20.056 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.438 -6.848 -19.137 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.328 -7.448 -20.556 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.622 -6.967 -20.714 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.867 -4.452 -18.945 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.029 -4.472 -20.514 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.344 -3.309 -20.223 1.00 0.00 H new ATOM 910 N THR A 58 -14.927 -6.728 -23.760 1.00 0.00 N ATOM 911 CA THR A 58 -15.797 -7.737 -24.351 1.00 0.00 C ATOM 912 C THR A 58 -15.177 -9.126 -24.248 1.00 0.00 C ATOM 913 O THR A 58 -14.009 -9.268 -23.887 1.00 0.00 O ATOM 914 CB THR A 58 -16.092 -7.427 -25.831 1.00 0.00 C ATOM 915 OG1 THR A 58 -15.883 -6.035 -26.091 1.00 0.00 O ATOM 916 CG2 THR A 58 -17.522 -7.806 -26.187 1.00 0.00 C ATOM 0 H THR A 58 -14.129 -6.468 -24.340 1.00 0.00 H new ATOM 0 HA THR A 58 -16.731 -7.717 -23.790 1.00 0.00 H new ATOM 0 HB THR A 58 -15.412 -8.016 -26.446 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.583 -5.706 -26.692 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.708 -7.578 -27.237 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.669 -8.872 -26.015 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.214 -7.239 -25.565 1.00 0.00 H new ATOM 924 N GLU A 59 -15.967 -10.146 -24.567 1.00 0.00 N ATOM 925 CA GLU A 59 -15.494 -11.524 -24.509 1.00 0.00 C ATOM 926 C GLU A 59 -14.288 -11.724 -25.424 1.00 0.00 C ATOM 927 O GLU A 59 -13.292 -12.332 -25.031 1.00 0.00 O ATOM 928 CB GLU A 59 -16.614 -12.488 -24.906 1.00 0.00 C ATOM 929 CG GLU A 59 -16.326 -13.936 -24.546 1.00 0.00 C ATOM 930 CD GLU A 59 -17.430 -14.878 -24.988 1.00 0.00 C ATOM 931 OE1 GLU A 59 -17.414 -15.299 -26.164 1.00 0.00 O ATOM 932 OE2 GLU A 59 -18.309 -15.193 -24.159 1.00 0.00 O ATOM 0 H GLU A 59 -16.936 -10.044 -24.868 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.190 -11.734 -23.484 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.538 -12.178 -24.419 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.780 -12.416 -25.981 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.387 -14.241 -25.007 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.193 -14.019 -23.467 1.00 0.00 H new ATOM 939 N ASP A 60 -14.387 -11.209 -26.644 1.00 0.00 N ATOM 940 CA ASP A 60 -13.306 -11.330 -27.615 1.00 0.00 C ATOM 941 C ASP A 60 -12.090 -10.518 -27.178 1.00 0.00 C ATOM 942 O ASP A 60 -10.953 -10.978 -27.284 1.00 0.00 O ATOM 943 CB ASP A 60 -13.776 -10.866 -28.994 1.00 0.00 C ATOM 944 CG ASP A 60 -14.477 -9.522 -28.945 1.00 0.00 C ATOM 945 OD1 ASP A 60 -15.683 -9.494 -28.626 1.00 0.00 O ATOM 946 OD2 ASP A 60 -13.818 -8.499 -29.227 1.00 0.00 O ATOM 0 H ASP A 60 -15.205 -10.704 -26.984 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.018 -12.380 -27.673 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.919 -10.801 -29.664 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.453 -11.610 -29.413 1.00 0.00 H new ATOM 951 N LYS A 61 -12.338 -9.308 -26.689 1.00 0.00 N ATOM 952 CA LYS A 61 -11.265 -8.431 -26.236 1.00 0.00 C ATOM 953 C LYS A 61 -10.513 -9.053 -25.063 1.00 0.00 C ATOM 954 O LYS A 61 -9.284 -9.140 -25.077 1.00 0.00 O ATOM 955 CB LYS A 61 -11.830 -7.069 -25.828 1.00 0.00 C ATOM 956 CG LYS A 61 -12.678 -6.414 -26.905 1.00 0.00 C ATOM 957 CD LYS A 61 -12.723 -4.905 -26.739 1.00 0.00 C ATOM 958 CE LYS A 61 -13.186 -4.217 -28.014 1.00 0.00 C ATOM 959 NZ LYS A 61 -14.670 -4.218 -28.136 1.00 0.00 N ATOM 0 H LYS A 61 -13.273 -8.912 -26.596 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.567 -8.295 -27.062 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.432 -7.190 -24.927 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.005 -6.404 -25.573 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.275 -6.661 -27.887 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.691 -6.815 -26.866 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.396 -4.648 -25.921 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.734 -4.538 -26.465 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.821 -3.190 -28.026 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.750 -4.720 -28.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.941 -4.583 -29.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.079 -4.824 -27.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.028 -3.248 -28.026 1.00 0.00 H new ATOM 973 N LEU A 62 -11.257 -9.486 -24.051 1.00 0.00 N ATOM 974 CA LEU A 62 -10.660 -10.102 -22.871 1.00 0.00 C ATOM 975 C LEU A 62 -10.052 -11.458 -23.214 1.00 0.00 C ATOM 976 O LEU A 62 -9.120 -11.915 -22.553 1.00 0.00 O ATOM 977 CB LEU A 62 -11.709 -10.263 -21.770 1.00 0.00 C ATOM 978 CG LEU A 62 -12.844 -11.245 -22.064 1.00 0.00 C ATOM 979 CD1 LEU A 62 -12.429 -12.663 -21.707 1.00 0.00 C ATOM 980 CD2 LEU A 62 -14.102 -10.848 -21.304 1.00 0.00 C ATOM 0 H LEU A 62 -12.275 -9.422 -24.024 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.865 -9.449 -22.513 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.204 -10.584 -20.859 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.145 -9.285 -21.565 1.00 0.00 H new ATOM 0 HG LEU A 62 -13.062 -11.210 -23.131 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -13.249 -13.347 -21.923 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.556 -12.946 -22.295 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -12.184 -12.714 -20.646 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.900 -11.557 -21.525 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.897 -10.854 -20.233 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.411 -9.848 -21.609 1.00 0.00 H new ATOM 992 N GLU A 63 -10.586 -12.095 -24.251 1.00 0.00 N ATOM 993 CA GLU A 63 -10.094 -13.399 -24.681 1.00 0.00 C ATOM 994 C GLU A 63 -8.757 -13.265 -25.404 1.00 0.00 C ATOM 995 O GLU A 63 -7.903 -14.148 -25.322 1.00 0.00 O ATOM 996 CB GLU A 63 -11.116 -14.077 -25.597 1.00 0.00 C ATOM 997 CG GLU A 63 -10.608 -15.361 -26.230 1.00 0.00 C ATOM 998 CD GLU A 63 -11.621 -15.991 -27.166 1.00 0.00 C ATOM 999 OE1 GLU A 63 -12.150 -15.271 -28.038 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -11.885 -17.204 -27.026 1.00 0.00 O ATOM 0 H GLU A 63 -11.358 -11.730 -24.808 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.947 -14.014 -23.793 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.016 -14.296 -25.023 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.402 -13.381 -26.386 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.691 -15.152 -26.781 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.353 -16.073 -25.445 1.00 0.00 H new ATOM 1007 N LYS A 64 -8.582 -12.154 -26.111 1.00 0.00 N ATOM 1008 CA LYS A 64 -7.350 -11.902 -26.849 1.00 0.00 C ATOM 1009 C LYS A 64 -6.322 -11.200 -25.967 1.00 0.00 C ATOM 1010 O LYS A 64 -5.180 -11.646 -25.853 1.00 0.00 O ATOM 1011 CB LYS A 64 -7.638 -11.053 -28.089 1.00 0.00 C ATOM 1012 CG LYS A 64 -8.128 -11.861 -29.278 1.00 0.00 C ATOM 1013 CD LYS A 64 -8.748 -10.969 -30.340 1.00 0.00 C ATOM 1014 CE LYS A 64 -8.852 -11.685 -31.678 1.00 0.00 C ATOM 1015 NZ LYS A 64 -9.744 -10.961 -32.627 1.00 0.00 N ATOM 0 H LYS A 64 -9.279 -11.413 -26.189 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.940 -12.862 -27.161 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.386 -10.301 -27.838 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.731 -10.519 -28.372 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.296 -12.417 -29.709 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.862 -12.594 -28.943 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.740 -10.653 -30.017 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.147 -10.067 -30.455 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.859 -11.782 -32.116 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.232 -12.695 -31.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.789 -11.481 -33.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.699 -10.890 -32.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.368 -10.006 -32.797 1.00 0.00 H new ATOM 1029 N TYR A 65 -6.735 -10.103 -25.344 1.00 0.00 N ATOM 1030 CA TYR A 65 -5.850 -9.339 -24.472 1.00 0.00 C ATOM 1031 C TYR A 65 -6.063 -9.720 -23.010 1.00 0.00 C ATOM 1032 O TYR A 65 -5.115 -10.042 -22.296 1.00 0.00 O ATOM 1033 CB TYR A 65 -6.085 -7.839 -24.660 1.00 0.00 C ATOM 1034 CG TYR A 65 -6.732 -7.488 -25.980 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -6.115 -7.802 -27.185 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -7.962 -6.843 -26.023 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -6.702 -7.482 -28.393 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -8.558 -6.521 -27.227 1.00 0.00 C ATOM 1039 CZ TYR A 65 -7.924 -6.842 -28.409 1.00 0.00 C ATOM 1040 OH TYR A 65 -8.514 -6.523 -29.611 1.00 0.00 O ATOM 0 H TYR A 65 -7.678 -9.722 -25.426 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.821 -9.576 -24.743 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.714 -7.474 -23.848 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.131 -7.318 -24.583 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.159 -8.305 -27.176 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.461 -6.589 -25.099 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.207 -7.731 -29.320 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.515 -6.021 -27.243 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.371 -6.077 -29.447 1.00 0.00 H new ATOM 1050 N GLY A 66 -7.318 -9.680 -22.572 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.635 -10.024 -21.198 1.00 0.00 C ATOM 1052 C GLY A 66 -6.894 -11.257 -20.723 1.00 0.00 C ATOM 1053 O GLY A 66 -6.554 -11.370 -19.545 1.00 0.00 O ATOM 0 H GLY A 66 -8.120 -9.416 -23.144 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.388 -9.183 -20.550 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.708 -10.191 -21.107 1.00 0.00 H new ATOM 1057 N ALA A 67 -6.643 -12.185 -21.640 1.00 0.00 N ATOM 1058 CA ALA A 67 -5.937 -13.416 -21.309 1.00 0.00 C ATOM 1059 C ALA A 67 -4.643 -13.122 -20.556 1.00 0.00 C ATOM 1060 O ALA A 67 -4.419 -13.640 -19.463 1.00 0.00 O ATOM 1061 CB ALA A 67 -5.645 -14.214 -22.571 1.00 0.00 C ATOM 0 H ALA A 67 -6.918 -12.107 -22.619 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.579 -14.009 -20.658 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.117 -15.131 -22.308 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.582 -14.465 -23.068 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.026 -13.619 -23.243 1.00 0.00 H new ATOM 1067 N GLU A 68 -3.796 -12.287 -21.150 1.00 0.00 N ATOM 1068 CA GLU A 68 -2.524 -11.925 -20.535 1.00 0.00 C ATOM 1069 C GLU A 68 -2.746 -11.201 -19.211 1.00 0.00 C ATOM 1070 O GLU A 68 -1.984 -11.374 -18.260 1.00 0.00 O ATOM 1071 CB GLU A 68 -1.707 -11.043 -21.481 1.00 0.00 C ATOM 1072 CG GLU A 68 -1.381 -11.710 -22.807 1.00 0.00 C ATOM 1073 CD GLU A 68 -0.947 -13.154 -22.642 1.00 0.00 C ATOM 1074 OE1 GLU A 68 0.002 -13.403 -21.870 1.00 0.00 O ATOM 1075 OE2 GLU A 68 -1.557 -14.034 -23.285 1.00 0.00 O ATOM 0 H GLU A 68 -3.967 -11.849 -22.055 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.971 -12.843 -20.338 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.259 -10.123 -21.673 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.777 -10.760 -20.988 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.257 -11.669 -23.455 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.589 -11.151 -23.306 1.00 0.00 H new ATOM 1082 N VAL A 69 -3.797 -10.388 -19.157 1.00 0.00 N ATOM 1083 CA VAL A 69 -4.121 -9.637 -17.950 1.00 0.00 C ATOM 1084 C VAL A 69 -4.444 -10.572 -16.791 1.00 0.00 C ATOM 1085 O VAL A 69 -3.914 -10.418 -15.690 1.00 0.00 O ATOM 1086 CB VAL A 69 -5.315 -8.692 -18.181 1.00 0.00 C ATOM 1087 CG1 VAL A 69 -5.489 -7.752 -16.998 1.00 0.00 C ATOM 1088 CG2 VAL A 69 -5.133 -7.909 -19.472 1.00 0.00 C ATOM 0 H VAL A 69 -4.438 -10.233 -19.935 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.241 -9.044 -17.700 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.219 -9.294 -18.272 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.337 -7.092 -17.179 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.669 -8.334 -16.094 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.586 -7.155 -16.871 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.986 -7.247 -19.619 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.220 -7.317 -19.413 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.063 -8.602 -20.311 1.00 0.00 H new ATOM 1098 N ILE A 70 -5.316 -11.542 -17.045 1.00 0.00 N ATOM 1099 CA ILE A 70 -5.708 -12.504 -16.023 1.00 0.00 C ATOM 1100 C ILE A 70 -4.527 -13.373 -15.603 1.00 0.00 C ATOM 1101 O ILE A 70 -4.337 -13.650 -14.419 1.00 0.00 O ATOM 1102 CB ILE A 70 -6.851 -13.412 -16.513 1.00 0.00 C ATOM 1103 CG1 ILE A 70 -8.077 -12.573 -16.879 1.00 0.00 C ATOM 1104 CG2 ILE A 70 -7.204 -14.440 -15.448 1.00 0.00 C ATOM 1105 CD1 ILE A 70 -9.285 -13.402 -17.256 1.00 0.00 C ATOM 0 H ILE A 70 -5.764 -11.682 -17.950 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.055 -11.928 -15.165 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.518 -13.942 -17.405 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.334 -11.933 -16.035 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.823 -11.916 -17.711 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.013 -15.074 -15.809 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.330 -15.055 -15.232 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.522 -13.928 -14.539 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.116 -12.742 -17.503 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.045 -14.023 -18.119 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.565 -14.040 -16.417 1.00 0.00 H new ATOM 1117 N SER A 71 -3.735 -13.798 -16.583 1.00 0.00 N ATOM 1118 CA SER A 71 -2.573 -14.638 -16.316 1.00 0.00 C ATOM 1119 C SER A 71 -1.599 -13.933 -15.377 1.00 0.00 C ATOM 1120 O SER A 71 -1.109 -14.525 -14.414 1.00 0.00 O ATOM 1121 CB SER A 71 -1.868 -14.999 -17.624 1.00 0.00 C ATOM 1122 OG SER A 71 -0.577 -15.530 -17.378 1.00 0.00 O ATOM 0 H SER A 71 -3.877 -13.575 -17.568 1.00 0.00 H new ATOM 0 HA SER A 71 -2.918 -15.552 -15.834 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.465 -15.726 -18.174 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.786 -14.113 -18.253 1.00 0.00 H new ATOM 0 HG SER A 71 -0.148 -15.754 -18.230 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.321 -12.666 -15.664 1.00 0.00 N ATOM 1129 CA VAL A 72 -0.406 -11.879 -14.846 1.00 0.00 C ATOM 1130 C VAL A 72 -0.962 -11.674 -13.441 1.00 0.00 C ATOM 1131 O VAL A 72 -0.269 -11.902 -12.448 1.00 0.00 O ATOM 1132 CB VAL A 72 -0.126 -10.504 -15.481 1.00 0.00 C ATOM 1133 CG1 VAL A 72 0.801 -9.685 -14.596 1.00 0.00 C ATOM 1134 CG2 VAL A 72 0.462 -10.670 -16.874 1.00 0.00 C ATOM 0 H VAL A 72 -1.717 -12.162 -16.458 1.00 0.00 H new ATOM 0 HA VAL A 72 0.527 -12.440 -14.786 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.070 -9.967 -15.572 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.987 -8.717 -15.061 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.336 -9.536 -13.622 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.745 -10.214 -14.470 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.653 -9.688 -17.307 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.397 -11.227 -16.810 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.242 -11.214 -17.504 1.00 0.00 H new ATOM 1144 N LEU A 73 -2.216 -11.244 -13.365 1.00 0.00 N ATOM 1145 CA LEU A 73 -2.867 -11.009 -12.081 1.00 0.00 C ATOM 1146 C LEU A 73 -2.936 -12.294 -11.262 1.00 0.00 C ATOM 1147 O LEU A 73 -2.924 -12.258 -10.032 1.00 0.00 O ATOM 1148 CB LEU A 73 -4.276 -10.451 -12.295 1.00 0.00 C ATOM 1149 CG LEU A 73 -4.360 -9.089 -12.984 1.00 0.00 C ATOM 1150 CD1 LEU A 73 -5.762 -8.849 -13.522 1.00 0.00 C ATOM 1151 CD2 LEU A 73 -3.959 -7.979 -12.023 1.00 0.00 C ATOM 0 H LEU A 73 -2.802 -11.051 -14.177 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.274 -10.280 -11.529 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.844 -11.170 -12.885 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.767 -10.376 -11.325 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.665 -9.085 -13.823 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.803 -7.875 -14.009 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.013 -9.626 -14.244 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.477 -8.874 -12.699 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.025 -7.017 -12.531 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.629 -7.982 -11.163 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.935 -8.142 -11.686 1.00 0.00 H new ATOM 1163 N GLN A 74 -3.007 -13.427 -11.953 1.00 0.00 N ATOM 1164 CA GLN A 74 -3.076 -14.723 -11.289 1.00 0.00 C ATOM 1165 C GLN A 74 -1.729 -15.093 -10.676 1.00 0.00 C ATOM 1166 O GLN A 74 -1.635 -15.377 -9.482 1.00 0.00 O ATOM 1167 CB GLN A 74 -3.514 -15.804 -12.279 1.00 0.00 C ATOM 1168 CG GLN A 74 -4.961 -16.237 -12.106 1.00 0.00 C ATOM 1169 CD GLN A 74 -5.276 -16.666 -10.687 1.00 0.00 C ATOM 1170 OE1 GLN A 74 -4.378 -16.990 -9.910 1.00 0.00 O ATOM 1171 NE2 GLN A 74 -6.558 -16.670 -10.341 1.00 0.00 N ATOM 0 H GLN A 74 -3.018 -13.474 -12.972 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.812 -14.654 -10.488 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.373 -15.434 -13.294 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.867 -16.674 -12.164 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.618 -15.414 -12.387 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.173 -17.062 -12.786 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.270 -16.394 -11.017 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.831 -16.949 -9.399 1.00 0.00 H new ATOM 1180 N LYS A 75 -0.688 -15.089 -11.501 1.00 0.00 N ATOM 1181 CA LYS A 75 0.655 -15.424 -11.042 1.00 0.00 C ATOM 1182 C LYS A 75 1.093 -14.491 -9.918 1.00 0.00 C ATOM 1183 O LYS A 75 1.794 -14.903 -8.993 1.00 0.00 O ATOM 1184 CB LYS A 75 1.648 -15.343 -12.203 1.00 0.00 C ATOM 1185 CG LYS A 75 1.708 -13.974 -12.858 1.00 0.00 C ATOM 1186 CD LYS A 75 2.787 -13.914 -13.926 1.00 0.00 C ATOM 1187 CE LYS A 75 2.317 -14.541 -15.229 1.00 0.00 C ATOM 1188 NZ LYS A 75 2.997 -13.941 -16.411 1.00 0.00 N ATOM 0 H LYS A 75 -0.748 -14.857 -12.492 1.00 0.00 H new ATOM 0 HA LYS A 75 0.638 -16.444 -10.658 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.641 -15.606 -11.839 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.377 -16.084 -12.955 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.741 -13.740 -13.303 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.902 -13.215 -12.100 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.069 -12.876 -14.102 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.679 -14.431 -13.573 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.509 -15.614 -15.206 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.239 -14.412 -15.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.649 -14.395 -17.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.794 -12.922 -16.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.024 -14.086 -16.332 1.00 0.00 H new ATOM 1202 N TYR A 76 0.675 -13.233 -10.003 1.00 0.00 N ATOM 1203 CA TYR A 76 1.026 -12.241 -8.993 1.00 0.00 C ATOM 1204 C TYR A 76 0.120 -12.364 -7.771 1.00 0.00 C ATOM 1205 O TYR A 76 0.513 -12.020 -6.657 1.00 0.00 O ATOM 1206 CB TYR A 76 0.926 -10.831 -9.576 1.00 0.00 C ATOM 1207 CG TYR A 76 0.136 -9.873 -8.713 1.00 0.00 C ATOM 1208 CD1 TYR A 76 -1.239 -9.741 -8.867 1.00 0.00 C ATOM 1209 CD2 TYR A 76 0.764 -9.100 -7.745 1.00 0.00 C ATOM 1210 CE1 TYR A 76 -1.964 -8.866 -8.081 1.00 0.00 C ATOM 1211 CE2 TYR A 76 0.046 -8.224 -6.953 1.00 0.00 C ATOM 1212 CZ TYR A 76 -1.317 -8.111 -7.125 1.00 0.00 C ATOM 1213 OH TYR A 76 -2.036 -7.239 -6.340 1.00 0.00 O ATOM 0 H TYR A 76 0.093 -12.876 -10.761 1.00 0.00 H new ATOM 0 HA TYR A 76 2.054 -12.425 -8.681 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.931 -10.434 -9.719 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.462 -10.886 -10.561 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.749 -10.332 -9.613 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.832 -9.185 -7.609 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.032 -8.774 -8.214 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.550 -7.631 -6.204 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.431 -6.785 -5.717 1.00 0.00 H new ATOM 1223 N SER A 77 -1.094 -12.858 -7.990 1.00 0.00 N ATOM 1224 CA SER A 77 -2.058 -13.024 -6.909 1.00 0.00 C ATOM 1225 C SER A 77 -1.537 -14.004 -5.862 1.00 0.00 C ATOM 1226 O SER A 77 -1.861 -13.896 -4.680 1.00 0.00 O ATOM 1227 CB SER A 77 -3.397 -13.515 -7.462 1.00 0.00 C ATOM 1228 OG SER A 77 -4.272 -12.430 -7.717 1.00 0.00 O ATOM 0 H SER A 77 -1.433 -13.150 -8.906 1.00 0.00 H new ATOM 0 HA SER A 77 -2.203 -12.054 -6.433 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.231 -14.076 -8.382 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.859 -14.199 -6.750 1.00 0.00 H new ATOM 0 HG SER A 77 -4.057 -12.034 -8.587 1.00 0.00 H new ATOM 1234 N GLU A 78 -0.728 -14.960 -6.307 1.00 0.00 N ATOM 1235 CA GLU A 78 -0.162 -15.960 -5.409 1.00 0.00 C ATOM 1236 C GLU A 78 -1.265 -16.723 -4.681 1.00 0.00 C ATOM 1237 O GLU A 78 -1.136 -17.043 -3.499 1.00 0.00 O ATOM 1238 CB GLU A 78 0.771 -15.297 -4.394 1.00 0.00 C ATOM 1239 CG GLU A 78 2.065 -14.782 -5.002 1.00 0.00 C ATOM 1240 CD GLU A 78 3.015 -15.900 -5.384 1.00 0.00 C ATOM 1241 OE1 GLU A 78 3.414 -16.672 -4.486 1.00 0.00 O ATOM 1242 OE2 GLU A 78 3.360 -16.004 -6.579 1.00 0.00 O ATOM 0 H GLU A 78 -0.450 -15.063 -7.283 1.00 0.00 H new ATOM 0 HA GLU A 78 0.411 -16.668 -6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.247 -14.467 -3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.009 -16.015 -3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.835 -14.187 -5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.558 -14.119 -4.291 1.00 0.00 H new ATOM 1249 N TRP A 79 -2.348 -17.010 -5.394 1.00 0.00 N ATOM 1250 CA TRP A 79 -3.474 -17.735 -4.816 1.00 0.00 C ATOM 1251 C TRP A 79 -4.028 -16.999 -3.601 1.00 0.00 C ATOM 1252 O TRP A 79 -4.325 -17.611 -2.574 1.00 0.00 O ATOM 1253 CB TRP A 79 -3.048 -19.149 -4.421 1.00 0.00 C ATOM 1254 CG TRP A 79 -4.162 -20.149 -4.497 1.00 0.00 C ATOM 1255 CD1 TRP A 79 -4.780 -20.602 -5.627 1.00 0.00 C ATOM 1256 CD2 TRP A 79 -4.792 -20.816 -3.397 1.00 0.00 C ATOM 1257 NE1 TRP A 79 -5.756 -21.511 -5.296 1.00 0.00 N ATOM 1258 CE2 TRP A 79 -5.783 -21.660 -3.935 1.00 0.00 C ATOM 1259 CE3 TRP A 79 -4.613 -20.783 -2.012 1.00 0.00 C ATOM 1260 CZ2 TRP A 79 -6.591 -22.463 -3.134 1.00 0.00 C ATOM 1261 CZ3 TRP A 79 -5.416 -21.580 -1.218 1.00 0.00 C ATOM 1262 CH2 TRP A 79 -6.395 -22.411 -1.780 1.00 0.00 C ATOM 0 H TRP A 79 -2.470 -16.752 -6.373 1.00 0.00 H new ATOM 0 HA TRP A 79 -4.259 -17.798 -5.569 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -2.235 -19.471 -5.072 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -2.654 -19.131 -3.405 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -4.538 -20.292 -6.633 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -6.362 -21.996 -5.957 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -3.861 -20.146 -1.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.345 -23.104 -3.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -5.287 -21.562 -0.146 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -7.006 -23.022 -1.132 1.00 0.00 H new ATOM 1273 N THR A 80 -4.166 -15.682 -3.724 1.00 0.00 N ATOM 1274 CA THR A 80 -4.684 -14.864 -2.635 1.00 0.00 C ATOM 1275 C THR A 80 -6.063 -14.309 -2.972 1.00 0.00 C ATOM 1276 O THR A 80 -6.881 -14.070 -2.083 1.00 0.00 O ATOM 1277 CB THR A 80 -3.737 -13.692 -2.314 1.00 0.00 C ATOM 1278 OG1 THR A 80 -2.429 -14.189 -2.006 1.00 0.00 O ATOM 1279 CG2 THR A 80 -4.263 -12.877 -1.142 1.00 0.00 C ATOM 0 H THR A 80 -3.926 -15.160 -4.567 1.00 0.00 H new ATOM 0 HA THR A 80 -4.759 -15.512 -1.761 1.00 0.00 H new ATOM 0 HB THR A 80 -3.683 -13.047 -3.191 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.896 -14.239 -2.827 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.578 -12.055 -0.934 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.246 -12.476 -1.390 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.343 -13.515 -0.262 1.00 0.00 H new ATOM 1287 N SER A 81 -6.316 -14.108 -4.261 1.00 0.00 N ATOM 1288 CA SER A 81 -7.597 -13.579 -4.715 1.00 0.00 C ATOM 1289 C SER A 81 -8.158 -14.419 -5.858 1.00 0.00 C ATOM 1290 O SER A 81 -8.181 -14.003 -7.016 1.00 0.00 O ATOM 1291 CB SER A 81 -7.441 -12.125 -5.165 1.00 0.00 C ATOM 1292 OG SER A 81 -8.702 -11.533 -5.424 1.00 0.00 O ATOM 0 H SER A 81 -5.651 -14.303 -5.009 1.00 0.00 H new ATOM 0 HA SER A 81 -8.296 -13.621 -3.880 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.920 -11.556 -4.394 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.825 -12.083 -6.063 1.00 0.00 H new ATOM 0 HG SER A 81 -8.575 -10.604 -5.708 1.00 0.00 H new ATOM 1298 N PRO A 82 -8.621 -15.634 -5.526 1.00 0.00 N ATOM 1299 CA PRO A 82 -9.191 -16.559 -6.510 1.00 0.00 C ATOM 1300 C PRO A 82 -10.538 -16.083 -7.042 1.00 0.00 C ATOM 1301 O PRO A 82 -10.974 -14.970 -6.748 1.00 0.00 O ATOM 1302 CB PRO A 82 -9.358 -17.859 -5.718 1.00 0.00 C ATOM 1303 CG PRO A 82 -9.482 -17.424 -4.298 1.00 0.00 C ATOM 1304 CD PRO A 82 -8.625 -16.196 -4.165 1.00 0.00 C ATOM 0 HA PRO A 82 -8.557 -16.658 -7.391 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -10.241 -18.409 -6.042 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.502 -18.520 -5.856 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -10.520 -17.205 -4.046 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.148 -18.208 -3.619 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -9.039 -15.494 -3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -7.618 -16.443 -3.829 1.00 0.00 H new ATOM 1312 N ALA A 83 -11.193 -16.932 -7.826 1.00 0.00 N ATOM 1313 CA ALA A 83 -12.492 -16.598 -8.397 1.00 0.00 C ATOM 1314 C ALA A 83 -13.573 -17.551 -7.898 1.00 0.00 C ATOM 1315 O ALA A 83 -13.283 -18.517 -7.192 1.00 0.00 O ATOM 1316 CB ALA A 83 -12.424 -16.625 -9.917 1.00 0.00 C ATOM 0 H ALA A 83 -10.846 -17.857 -8.081 1.00 0.00 H new ATOM 0 HA ALA A 83 -12.754 -15.591 -8.074 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.401 -16.374 -10.329 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -11.687 -15.899 -10.261 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.135 -17.622 -10.251 1.00 0.00 H new ATOM 1322 N GLU A 84 -14.819 -17.272 -8.268 1.00 0.00 N ATOM 1323 CA GLU A 84 -15.942 -18.105 -7.855 1.00 0.00 C ATOM 1324 C GLU A 84 -16.656 -18.696 -9.067 1.00 0.00 C ATOM 1325 O GLU A 84 -17.855 -18.971 -9.022 1.00 0.00 O ATOM 1326 CB GLU A 84 -16.929 -17.289 -7.016 1.00 0.00 C ATOM 1327 CG GLU A 84 -16.424 -16.972 -5.619 1.00 0.00 C ATOM 1328 CD GLU A 84 -15.997 -18.211 -4.858 1.00 0.00 C ATOM 1329 OE1 GLU A 84 -16.802 -19.162 -4.770 1.00 0.00 O ATOM 1330 OE2 GLU A 84 -14.856 -18.230 -4.349 1.00 0.00 O ATOM 0 H GLU A 84 -15.076 -16.476 -8.852 1.00 0.00 H new ATOM 0 HA GLU A 84 -15.551 -18.923 -7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.148 -16.356 -7.534 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.867 -17.838 -6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.581 -16.285 -5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.208 -16.460 -5.061 1.00 0.00 H new ATOM 1337 N ASP A 85 -15.909 -18.889 -10.149 1.00 0.00 N ATOM 1338 CA ASP A 85 -16.469 -19.448 -11.374 1.00 0.00 C ATOM 1339 C ASP A 85 -17.648 -18.614 -11.863 1.00 0.00 C ATOM 1340 O ASP A 85 -18.122 -18.790 -12.987 1.00 0.00 O ATOM 1341 CB ASP A 85 -16.911 -20.894 -11.144 1.00 0.00 C ATOM 1342 CG ASP A 85 -15.753 -21.871 -11.205 1.00 0.00 C ATOM 1343 OD1 ASP A 85 -14.909 -21.735 -12.116 1.00 0.00 O ATOM 1344 OD2 ASP A 85 -15.690 -22.770 -10.341 1.00 0.00 O ATOM 0 H ASP A 85 -14.915 -18.667 -10.203 1.00 0.00 H new ATOM 0 HA ASP A 85 -15.693 -19.431 -12.140 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -17.397 -20.972 -10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -17.653 -21.168 -11.894 1.00 0.00 H new TER 1349 ASP A 85