USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 814 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 86 GLN : amide:sc= 0.0158 X(o=0.027,f=0) USER MOD Set 1.2: A 90 LYS NZ :NH3+ -114:sc= 0.0112 (180deg=0) USER MOD Set 2.1: A 81 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 102 MET CE :methyl -177:sc= -1.36 (180deg=-1.47) USER MOD Set 3.1: A 37 LYS NZ :NH3+ 139:sc= 0.941 (180deg=0) USER MOD Set 3.2: A 48 ASN : amide:sc= 0.991 K(o=1.9,f=-3.2) USER MOD Set 4.1: A 11 CYS SG : rot -90:sc= -6.44! USER MOD Set 4.2: A 17 HIS : no HE2:sc= -1.14 K(o=-8.5,f=-11) USER MOD Set 4.3: A 20 MET CE :methyl -111:sc= -0.906 (180deg=-2.86!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 47:sc= 0.206 USER MOD Single : A 3 LYS NZ :NH3+ 171:sc= 0.643 (180deg=0.589) USER MOD Single : A 4 LYS NZ :NH3+ 135:sc= 1.97 (180deg=-0.243) USER MOD Single : A 9 CYS SG : rot 150:sc= -0.202 USER MOD Single : A 13 MET CE :methyl -179:sc= 0 (180deg=-0.0032) USER MOD Single : A 18 THR OG1 : rot -25:sc= -0.649 USER MOD Single : A 23 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.048) USER MOD Single : A 34 TYR OH : rot -128:sc= -1.79 USER MOD Single : A 40 THR OG1 : rot -172:sc= 0.197 USER MOD Single : A 41 GLN : amide:sc= -4.69 K(o=-4.7,f=-8.3!) USER MOD Single : A 47 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.018) USER MOD Single : A 51 THR OG1 : rot -61:sc= 0.634 USER MOD Single : A 53 GLN : amide:sc= 0.0741 X(o=0.074,f=-0.15) USER MOD Single : A 59 THR OG1 : rot -150:sc= 0.00263 USER MOD Single : A 63 HIS : no HD1:sc= -0.849 K(o=-0.85,f=-2.1!) USER MOD Single : A 64 SER OG : rot 80:sc= -2.09! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.462 K(o=0.46,f=-0.066) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN :FLIP amide:sc= -0.0435 F(o=-2.4!,f=-0.044) USER MOD Single : A 97 LYS NZ :NH3+ -148:sc= 1.02 (180deg=0.559) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.408 K(o=-0.41,f=-4.1!) USER MOD Single : A 108 GLN : amide:sc= -0.195 X(o=-0.19,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.149 0.975 -2.232 1.00 0.00 N ATOM 2 CA MET A 1 2.940 -0.366 -1.632 1.00 0.00 C ATOM 3 C MET A 1 4.174 -1.245 -1.874 1.00 0.00 C ATOM 4 O MET A 1 4.743 -1.807 -0.924 1.00 0.00 O ATOM 5 CB MET A 1 1.667 -1.047 -2.204 1.00 0.00 C ATOM 6 CG MET A 1 0.347 -0.347 -1.851 1.00 0.00 C ATOM 7 SD MET A 1 -1.084 -1.288 -2.432 1.00 0.00 S ATOM 8 CE MET A 1 -2.448 -0.475 -1.604 1.00 0.00 C ATOM 0 H1 MET A 1 2.309 1.565 -2.064 1.00 0.00 H new ATOM 0 H2 MET A 1 3.980 1.424 -1.797 1.00 0.00 H new ATOM 0 H3 MET A 1 3.304 0.877 -3.256 1.00 0.00 H new ATOM 0 HA MET A 1 2.795 -0.242 -0.559 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.756 -1.098 -3.289 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.626 -2.073 -1.839 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.282 -0.215 -0.771 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.333 0.648 -2.295 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.383 -0.962 -1.880 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.310 -0.540 -0.525 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.482 0.573 -1.902 1.00 0.00 H new ATOM 18 N SER A 2 4.582 -1.363 -3.156 1.00 0.00 N ATOM 19 CA SER A 2 5.736 -2.181 -3.561 1.00 0.00 C ATOM 20 C SER A 2 7.059 -1.432 -3.276 1.00 0.00 C ATOM 21 O SER A 2 7.627 -0.763 -4.149 1.00 0.00 O ATOM 22 CB SER A 2 5.604 -2.592 -5.053 1.00 0.00 C ATOM 23 OG SER A 2 5.441 -1.460 -5.899 1.00 0.00 O ATOM 0 H SER A 2 4.119 -0.894 -3.934 1.00 0.00 H new ATOM 0 HA SER A 2 5.753 -3.096 -2.970 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.491 -3.148 -5.357 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.752 -3.261 -5.172 1.00 0.00 H new ATOM 0 HG SER A 2 6.098 -0.774 -5.658 1.00 0.00 H new ATOM 29 N LYS A 3 7.508 -1.521 -2.012 1.00 0.00 N ATOM 30 CA LYS A 3 8.832 -1.007 -1.562 1.00 0.00 C ATOM 31 C LYS A 3 9.987 -1.813 -2.222 1.00 0.00 C ATOM 32 O LYS A 3 9.749 -2.677 -3.082 1.00 0.00 O ATOM 33 CB LYS A 3 8.944 -0.989 0.013 1.00 0.00 C ATOM 34 CG LYS A 3 7.968 -1.911 0.782 1.00 0.00 C ATOM 35 CD LYS A 3 8.185 -1.879 2.321 1.00 0.00 C ATOM 36 CE LYS A 3 7.368 -2.962 3.049 1.00 0.00 C ATOM 37 NZ LYS A 3 7.718 -3.061 4.499 1.00 0.00 N ATOM 0 H LYS A 3 6.966 -1.952 -1.263 1.00 0.00 H new ATOM 0 HA LYS A 3 8.923 0.028 -1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.962 -1.265 0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.789 0.034 0.355 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.944 -1.613 0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.087 -2.934 0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.244 -2.018 2.539 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.906 -0.898 2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.305 -2.741 2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.539 -3.926 2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.042 -3.691 4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.679 -3.445 4.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.676 -2.116 4.931 1.00 0.00 H new ATOM 51 N LYS A 4 11.242 -1.539 -1.823 1.00 0.00 N ATOM 52 CA LYS A 4 12.414 -2.175 -2.467 1.00 0.00 C ATOM 53 C LYS A 4 13.520 -2.468 -1.422 1.00 0.00 C ATOM 54 O LYS A 4 13.730 -1.705 -0.476 1.00 0.00 O ATOM 55 CB LYS A 4 12.923 -1.263 -3.651 1.00 0.00 C ATOM 56 CG LYS A 4 13.489 -1.994 -4.897 1.00 0.00 C ATOM 57 CD LYS A 4 14.816 -2.727 -4.637 1.00 0.00 C ATOM 58 CE LYS A 4 15.302 -3.559 -5.829 1.00 0.00 C ATOM 59 NZ LYS A 4 15.430 -2.754 -7.060 1.00 0.00 N ATOM 0 H LYS A 4 11.473 -0.892 -1.069 1.00 0.00 H new ATOM 0 HA LYS A 4 12.126 -3.138 -2.890 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.096 -0.630 -3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.698 -0.602 -3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.751 -2.713 -5.251 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.636 -1.268 -5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.581 -1.995 -4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.697 -3.381 -3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.267 -4.006 -5.588 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.606 -4.379 -6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.330 -2.979 -7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.641 -2.972 -7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.410 -1.743 -6.817 1.00 0.00 H new ATOM 73 N LEU A 5 14.215 -3.593 -1.619 1.00 0.00 N ATOM 74 CA LEU A 5 15.372 -4.024 -0.825 1.00 0.00 C ATOM 75 C LEU A 5 16.483 -4.406 -1.788 1.00 0.00 C ATOM 76 O LEU A 5 16.234 -5.077 -2.794 1.00 0.00 O ATOM 77 CB LEU A 5 15.000 -5.232 0.084 1.00 0.00 C ATOM 78 CG LEU A 5 16.147 -5.842 0.990 1.00 0.00 C ATOM 79 CD1 LEU A 5 15.584 -6.377 2.316 1.00 0.00 C ATOM 80 CD2 LEU A 5 16.939 -6.978 0.289 1.00 0.00 C ATOM 0 H LEU A 5 13.980 -4.252 -2.361 1.00 0.00 H new ATOM 0 HA LEU A 5 15.698 -3.214 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.183 -4.924 0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.615 -6.028 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 5 16.835 -5.018 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.395 -6.789 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.105 -5.564 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.851 -7.158 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.710 -7.353 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.259 -7.789 0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.406 -6.591 -0.617 1.00 0.00 H new ATOM 92 N ILE A 6 17.704 -3.974 -1.504 1.00 0.00 N ATOM 93 CA ILE A 6 18.886 -4.415 -2.244 1.00 0.00 C ATOM 94 C ILE A 6 19.912 -4.955 -1.252 1.00 0.00 C ATOM 95 O ILE A 6 19.828 -4.687 -0.042 1.00 0.00 O ATOM 96 CB ILE A 6 19.507 -3.270 -3.128 1.00 0.00 C ATOM 97 CG1 ILE A 6 20.192 -2.178 -2.257 1.00 0.00 C ATOM 98 CG2 ILE A 6 18.435 -2.650 -4.053 1.00 0.00 C ATOM 99 CD1 ILE A 6 20.855 -1.072 -3.043 1.00 0.00 C ATOM 0 H ILE A 6 17.906 -3.310 -0.757 1.00 0.00 H new ATOM 0 HA ILE A 6 18.585 -5.201 -2.936 1.00 0.00 H new ATOM 0 HB ILE A 6 20.280 -3.718 -3.752 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.446 -1.739 -1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 6 20.940 -2.654 -1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.886 -1.861 -4.655 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.031 -3.421 -4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.631 -2.230 -3.448 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.306 -0.357 -2.355 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.628 -1.495 -3.685 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.110 -0.565 -3.657 1.00 0.00 H new ATOM 111 N ALA A 7 20.868 -5.725 -1.760 1.00 0.00 N ATOM 112 CA ALA A 7 21.976 -6.245 -0.964 1.00 0.00 C ATOM 113 C ALA A 7 23.220 -6.394 -1.835 1.00 0.00 C ATOM 114 O ALA A 7 23.142 -6.322 -3.063 1.00 0.00 O ATOM 115 CB ALA A 7 21.598 -7.575 -0.281 1.00 0.00 C ATOM 0 H ALA A 7 20.897 -6.008 -2.740 1.00 0.00 H new ATOM 0 HA ALA A 7 22.199 -5.532 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.444 -7.937 0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.743 -7.416 0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.340 -8.313 -1.040 1.00 0.00 H new ATOM 121 N LEU A 8 24.368 -6.592 -1.192 1.00 0.00 N ATOM 122 CA LEU A 8 25.644 -6.791 -1.876 1.00 0.00 C ATOM 123 C LEU A 8 26.366 -7.935 -1.169 1.00 0.00 C ATOM 124 O LEU A 8 26.580 -7.879 0.044 1.00 0.00 O ATOM 125 CB LEU A 8 26.487 -5.471 -1.872 1.00 0.00 C ATOM 126 CG LEU A 8 27.601 -5.312 -2.971 1.00 0.00 C ATOM 127 CD1 LEU A 8 28.211 -3.894 -2.944 1.00 0.00 C ATOM 128 CD2 LEU A 8 28.717 -6.373 -2.842 1.00 0.00 C ATOM 0 H LEU A 8 24.440 -6.619 -0.175 1.00 0.00 H new ATOM 0 HA LEU A 8 25.489 -7.048 -2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.798 -4.632 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 8 26.963 -5.380 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 8 27.110 -5.469 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 8 28.978 -3.813 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.429 -3.158 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.657 -3.708 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.459 -6.217 -3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.194 -6.282 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.286 -7.369 -2.944 1.00 0.00 H new ATOM 140 N CYS A 9 26.716 -8.971 -1.932 1.00 0.00 N ATOM 141 CA CYS A 9 27.449 -10.129 -1.434 1.00 0.00 C ATOM 142 C CYS A 9 28.852 -10.149 -2.062 1.00 0.00 C ATOM 143 O CYS A 9 28.973 -10.347 -3.265 1.00 0.00 O ATOM 144 CB CYS A 9 26.650 -11.406 -1.750 1.00 0.00 C ATOM 145 SG CYS A 9 24.996 -11.423 -1.022 1.00 0.00 S ATOM 0 H CYS A 9 26.494 -9.027 -2.926 1.00 0.00 H new ATOM 0 HA CYS A 9 27.573 -10.074 -0.352 1.00 0.00 H new ATOM 0 HB2 CYS A 9 26.563 -11.512 -2.831 1.00 0.00 H new ATOM 0 HB3 CYS A 9 27.206 -12.271 -1.389 1.00 0.00 H new ATOM 0 HG CYS A 9 24.197 -12.116 -1.777 1.00 0.00 H new ATOM 151 N ALA A 10 29.909 -9.937 -1.244 1.00 0.00 N ATOM 152 CA ALA A 10 31.317 -9.856 -1.742 1.00 0.00 C ATOM 153 C ALA A 10 32.241 -10.839 -0.992 1.00 0.00 C ATOM 154 O ALA A 10 32.376 -10.759 0.231 1.00 0.00 O ATOM 155 CB ALA A 10 31.861 -8.419 -1.645 1.00 0.00 C ATOM 0 H ALA A 10 29.821 -9.818 -0.235 1.00 0.00 H new ATOM 0 HA ALA A 10 31.304 -10.145 -2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 10 32.886 -8.392 -2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 10 31.241 -7.754 -2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.841 -8.092 -0.605 1.00 0.00 H new ATOM 161 N CYS A 11 32.877 -11.768 -1.739 1.00 0.00 N ATOM 162 CA CYS A 11 33.783 -12.804 -1.180 1.00 0.00 C ATOM 163 C CYS A 11 35.153 -12.802 -1.895 1.00 0.00 C ATOM 164 O CYS A 11 35.211 -12.568 -3.109 1.00 0.00 O ATOM 165 CB CYS A 11 33.130 -14.209 -1.265 1.00 0.00 C ATOM 166 SG CYS A 11 32.220 -14.672 0.218 1.00 0.00 S ATOM 0 H CYS A 11 32.778 -11.823 -2.753 1.00 0.00 H new ATOM 0 HA CYS A 11 33.952 -12.561 -0.131 1.00 0.00 H new ATOM 0 HB2 CYS A 11 32.453 -14.235 -2.119 1.00 0.00 H new ATOM 0 HB3 CYS A 11 33.907 -14.951 -1.451 1.00 0.00 H new ATOM 0 HG CYS A 11 33.016 -15.286 1.042 1.00 0.00 H new ATOM 172 N PRO A 12 36.279 -13.079 -1.148 1.00 0.00 N ATOM 173 CA PRO A 12 37.642 -13.152 -1.739 1.00 0.00 C ATOM 174 C PRO A 12 37.882 -14.443 -2.558 1.00 0.00 C ATOM 175 O PRO A 12 38.764 -14.464 -3.426 1.00 0.00 O ATOM 176 CB PRO A 12 38.565 -13.077 -0.495 1.00 0.00 C ATOM 177 CG PRO A 12 37.758 -13.710 0.596 1.00 0.00 C ATOM 178 CD PRO A 12 36.318 -13.312 0.331 1.00 0.00 C ATOM 0 HA PRO A 12 37.821 -12.357 -2.463 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.501 -13.611 -0.660 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.825 -12.046 -0.253 1.00 0.00 H new ATOM 0 HG2 PRO A 12 37.872 -14.794 0.588 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.085 -13.363 1.576 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.624 -14.097 0.631 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.042 -12.415 0.885 1.00 0.00 H new ATOM 186 N MET A 13 37.116 -15.528 -2.271 1.00 0.00 N ATOM 187 CA MET A 13 37.170 -16.767 -3.078 1.00 0.00 C ATOM 188 C MET A 13 36.413 -16.564 -4.400 1.00 0.00 C ATOM 189 O MET A 13 36.873 -17.002 -5.464 1.00 0.00 O ATOM 190 CB MET A 13 36.612 -17.998 -2.304 1.00 0.00 C ATOM 191 CG MET A 13 37.491 -18.454 -1.126 1.00 0.00 C ATOM 192 SD MET A 13 36.976 -20.036 -0.400 1.00 0.00 S ATOM 193 CE MET A 13 35.375 -19.656 0.307 1.00 0.00 C ATOM 0 H MET A 13 36.459 -15.566 -1.491 1.00 0.00 H new ATOM 0 HA MET A 13 38.217 -16.978 -3.293 1.00 0.00 H new ATOM 0 HB2 MET A 13 35.618 -17.757 -1.929 1.00 0.00 H new ATOM 0 HB3 MET A 13 36.497 -18.829 -3.000 1.00 0.00 H new ATOM 0 HG2 MET A 13 38.523 -18.539 -1.466 1.00 0.00 H new ATOM 0 HG3 MET A 13 37.473 -17.686 -0.352 1.00 0.00 H new ATOM 0 HE1 MET A 13 34.972 -20.544 0.794 1.00 0.00 H new ATOM 0 HE2 MET A 13 35.482 -18.857 1.041 1.00 0.00 H new ATOM 0 HE3 MET A 13 34.695 -19.335 -0.483 1.00 0.00 H new ATOM 203 N GLY A 14 35.250 -15.888 -4.328 1.00 0.00 N ATOM 204 CA GLY A 14 34.519 -15.485 -5.534 1.00 0.00 C ATOM 205 C GLY A 14 33.012 -15.677 -5.457 1.00 0.00 C ATOM 206 O GLY A 14 32.435 -15.760 -4.365 1.00 0.00 O ATOM 0 H GLY A 14 34.804 -15.614 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 14 34.728 -14.434 -5.735 1.00 0.00 H new ATOM 0 HA3 GLY A 14 34.901 -16.054 -6.381 1.00 0.00 H new ATOM 210 N LEU A 15 32.396 -15.805 -6.649 1.00 0.00 N ATOM 211 CA LEU A 15 30.939 -15.673 -6.839 1.00 0.00 C ATOM 212 C LEU A 15 30.111 -16.881 -6.352 1.00 0.00 C ATOM 213 O LEU A 15 28.916 -16.735 -6.124 1.00 0.00 O ATOM 214 CB LEU A 15 30.626 -15.348 -8.328 1.00 0.00 C ATOM 215 CG LEU A 15 31.107 -13.940 -8.826 1.00 0.00 C ATOM 216 CD1 LEU A 15 30.727 -13.687 -10.307 1.00 0.00 C ATOM 217 CD2 LEU A 15 30.560 -12.820 -7.915 1.00 0.00 C ATOM 0 H LEU A 15 32.900 -16.004 -7.513 1.00 0.00 H new ATOM 0 HA LEU A 15 30.628 -14.847 -6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.087 -16.113 -8.954 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.549 -15.419 -8.479 1.00 0.00 H new ATOM 0 HG LEU A 15 32.195 -13.930 -8.768 1.00 0.00 H new ATOM 0 HD11 LEU A 15 31.079 -12.701 -10.610 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.190 -14.447 -10.936 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.644 -13.735 -10.418 1.00 0.00 H new ATOM 0 HD21 LEU A 15 30.906 -11.853 -8.279 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.470 -12.843 -7.925 1.00 0.00 H new ATOM 0 HD23 LEU A 15 30.917 -12.973 -6.896 1.00 0.00 H new ATOM 229 N ALA A 16 30.737 -18.051 -6.167 1.00 0.00 N ATOM 230 CA ALA A 16 30.027 -19.256 -5.672 1.00 0.00 C ATOM 231 C ALA A 16 29.434 -19.004 -4.265 1.00 0.00 C ATOM 232 O ALA A 16 28.238 -19.240 -4.012 1.00 0.00 O ATOM 233 CB ALA A 16 30.977 -20.460 -5.665 1.00 0.00 C ATOM 0 H ALA A 16 31.730 -18.197 -6.350 1.00 0.00 H new ATOM 0 HA ALA A 16 29.198 -19.476 -6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 16 30.447 -21.340 -5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 16 31.336 -20.646 -6.677 1.00 0.00 H new ATOM 0 HB3 ALA A 16 31.825 -20.251 -5.013 1.00 0.00 H new ATOM 239 N HIS A 17 30.292 -18.463 -3.382 1.00 0.00 N ATOM 240 CA HIS A 17 29.940 -18.147 -1.988 1.00 0.00 C ATOM 241 C HIS A 17 28.888 -17.019 -1.945 1.00 0.00 C ATOM 242 O HIS A 17 27.941 -17.059 -1.137 1.00 0.00 O ATOM 243 CB HIS A 17 31.223 -17.720 -1.211 1.00 0.00 C ATOM 244 CG HIS A 17 31.157 -17.827 0.303 1.00 0.00 C ATOM 245 ND1 HIS A 17 29.990 -17.845 1.036 1.00 0.00 N ATOM 246 CD2 HIS A 17 32.154 -17.904 1.219 1.00 0.00 C ATOM 247 CE1 HIS A 17 30.278 -17.938 2.323 1.00 0.00 C ATOM 248 NE2 HIS A 17 31.576 -17.968 2.455 1.00 0.00 N ATOM 0 H HIS A 17 31.257 -18.231 -3.619 1.00 0.00 H new ATOM 0 HA HIS A 17 29.514 -19.033 -1.516 1.00 0.00 H new ATOM 0 HB2 HIS A 17 32.055 -18.331 -1.562 1.00 0.00 H new ATOM 0 HB3 HIS A 17 31.454 -16.687 -1.472 1.00 0.00 H new ATOM 0 HD1 HIS A 17 29.049 -17.794 0.646 1.00 0.00 H new ATOM 0 HD2 HIS A 17 33.213 -17.913 1.009 1.00 0.00 H new ATOM 0 HE1 HIS A 17 29.560 -17.982 3.129 1.00 0.00 H new ATOM 257 N THR A 18 29.059 -16.031 -2.848 1.00 0.00 N ATOM 258 CA THR A 18 28.208 -14.834 -2.898 1.00 0.00 C ATOM 259 C THR A 18 26.775 -15.181 -3.333 1.00 0.00 C ATOM 260 O THR A 18 25.830 -14.581 -2.842 1.00 0.00 O ATOM 261 CB THR A 18 28.793 -13.748 -3.856 1.00 0.00 C ATOM 262 OG1 THR A 18 28.740 -14.187 -5.209 1.00 0.00 O ATOM 263 CG2 THR A 18 30.242 -13.394 -3.516 1.00 0.00 C ATOM 0 H THR A 18 29.790 -16.045 -3.559 1.00 0.00 H new ATOM 0 HA THR A 18 28.183 -14.429 -1.886 1.00 0.00 H new ATOM 0 HB THR A 18 28.177 -12.859 -3.724 1.00 0.00 H new ATOM 0 HG1 THR A 18 28.735 -15.167 -5.235 1.00 0.00 H new ATOM 0 HG21 THR A 18 30.604 -12.635 -4.210 1.00 0.00 H new ATOM 0 HG22 THR A 18 30.293 -13.008 -2.498 1.00 0.00 H new ATOM 0 HG23 THR A 18 30.863 -14.286 -3.598 1.00 0.00 H new ATOM 271 N PHE A 19 26.637 -16.155 -4.263 1.00 0.00 N ATOM 272 CA PHE A 19 25.320 -16.617 -4.748 1.00 0.00 C ATOM 273 C PHE A 19 24.587 -17.450 -3.687 1.00 0.00 C ATOM 274 O PHE A 19 23.362 -17.532 -3.721 1.00 0.00 O ATOM 275 CB PHE A 19 25.427 -17.413 -6.077 1.00 0.00 C ATOM 276 CG PHE A 19 25.791 -16.574 -7.305 1.00 0.00 C ATOM 277 CD1 PHE A 19 25.127 -15.379 -7.579 1.00 0.00 C ATOM 278 CD2 PHE A 19 26.771 -16.997 -8.203 1.00 0.00 C ATOM 279 CE1 PHE A 19 25.448 -14.630 -8.691 1.00 0.00 C ATOM 280 CE2 PHE A 19 27.091 -16.248 -9.312 1.00 0.00 C ATOM 281 CZ PHE A 19 26.428 -15.068 -9.561 1.00 0.00 C ATOM 0 H PHE A 19 27.427 -16.636 -4.693 1.00 0.00 H new ATOM 0 HA PHE A 19 24.736 -15.718 -4.946 1.00 0.00 H new ATOM 0 HB2 PHE A 19 26.176 -18.196 -5.955 1.00 0.00 H new ATOM 0 HB3 PHE A 19 24.475 -17.909 -6.264 1.00 0.00 H new ATOM 0 HD1 PHE A 19 24.351 -15.036 -6.911 1.00 0.00 H new ATOM 0 HD2 PHE A 19 27.288 -17.929 -8.025 1.00 0.00 H new ATOM 0 HE1 PHE A 19 24.933 -13.700 -8.882 1.00 0.00 H new ATOM 0 HE2 PHE A 19 27.863 -16.586 -9.987 1.00 0.00 H new ATOM 0 HZ PHE A 19 26.674 -14.485 -10.436 1.00 0.00 H new ATOM 291 N MET A 20 25.339 -18.084 -2.757 1.00 0.00 N ATOM 292 CA MET A 20 24.719 -18.741 -1.576 1.00 0.00 C ATOM 293 C MET A 20 24.006 -17.687 -0.696 1.00 0.00 C ATOM 294 O MET A 20 22.851 -17.875 -0.289 1.00 0.00 O ATOM 295 CB MET A 20 25.758 -19.548 -0.736 1.00 0.00 C ATOM 296 CG MET A 20 26.478 -20.669 -1.507 1.00 0.00 C ATOM 297 SD MET A 20 27.390 -21.821 -0.443 1.00 0.00 S ATOM 298 CE MET A 20 28.520 -20.758 0.444 1.00 0.00 C ATOM 0 H MET A 20 26.356 -18.156 -2.796 1.00 0.00 H new ATOM 0 HA MET A 20 23.985 -19.457 -1.945 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.505 -18.857 -0.346 1.00 0.00 H new ATOM 0 HB3 MET A 20 25.249 -19.985 0.123 1.00 0.00 H new ATOM 0 HG2 MET A 20 25.743 -21.228 -2.086 1.00 0.00 H new ATOM 0 HG3 MET A 20 27.171 -20.220 -2.219 1.00 0.00 H new ATOM 0 HE1 MET A 20 29.540 -20.954 0.112 1.00 0.00 H new ATOM 0 HE2 MET A 20 28.268 -19.716 0.248 1.00 0.00 H new ATOM 0 HE3 MET A 20 28.442 -20.956 1.513 1.00 0.00 H new ATOM 308 N ALA A 21 24.703 -16.562 -0.461 1.00 0.00 N ATOM 309 CA ALA A 21 24.162 -15.423 0.314 1.00 0.00 C ATOM 310 C ALA A 21 23.046 -14.701 -0.455 1.00 0.00 C ATOM 311 O ALA A 21 22.050 -14.284 0.133 1.00 0.00 O ATOM 312 CB ALA A 21 25.279 -14.436 0.653 1.00 0.00 C ATOM 0 H ALA A 21 25.654 -16.413 -0.800 1.00 0.00 H new ATOM 0 HA ALA A 21 23.738 -15.821 1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 21 24.868 -13.603 1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 21 26.042 -14.940 1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.725 -14.060 -0.268 1.00 0.00 H new ATOM 318 N ALA A 22 23.232 -14.587 -1.784 1.00 0.00 N ATOM 319 CA ALA A 22 22.305 -13.878 -2.677 1.00 0.00 C ATOM 320 C ALA A 22 20.967 -14.609 -2.758 1.00 0.00 C ATOM 321 O ALA A 22 19.925 -13.985 -2.698 1.00 0.00 O ATOM 322 CB ALA A 22 22.911 -13.717 -4.080 1.00 0.00 C ATOM 0 H ALA A 22 24.036 -14.988 -2.268 1.00 0.00 H new ATOM 0 HA ALA A 22 22.132 -12.885 -2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.206 -13.189 -4.722 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.838 -13.147 -4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.120 -14.700 -4.501 1.00 0.00 H new ATOM 328 N GLN A 23 21.026 -15.942 -2.873 1.00 0.00 N ATOM 329 CA GLN A 23 19.831 -16.792 -2.972 1.00 0.00 C ATOM 330 C GLN A 23 19.030 -16.739 -1.659 1.00 0.00 C ATOM 331 O GLN A 23 17.805 -16.611 -1.680 1.00 0.00 O ATOM 332 CB GLN A 23 20.239 -18.249 -3.324 1.00 0.00 C ATOM 333 CG GLN A 23 19.060 -19.221 -3.571 1.00 0.00 C ATOM 334 CD GLN A 23 18.088 -18.798 -4.696 1.00 0.00 C ATOM 335 OE1 GLN A 23 16.899 -19.102 -4.638 1.00 0.00 O ATOM 336 NE2 GLN A 23 18.579 -18.127 -5.736 1.00 0.00 N ATOM 0 H GLN A 23 21.903 -16.462 -2.900 1.00 0.00 H new ATOM 0 HA GLN A 23 19.192 -16.417 -3.771 1.00 0.00 H new ATOM 0 HB2 GLN A 23 20.865 -18.229 -4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 23 20.851 -18.644 -2.513 1.00 0.00 H new ATOM 0 HG2 GLN A 23 19.464 -20.204 -3.812 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.496 -19.326 -2.644 1.00 0.00 H new ATOM 0 HE21 GLN A 23 19.569 -17.884 -5.765 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.965 -17.856 -6.504 1.00 0.00 H new ATOM 345 N ALA A 24 19.752 -16.786 -0.526 1.00 0.00 N ATOM 346 CA ALA A 24 19.142 -16.777 0.814 1.00 0.00 C ATOM 347 C ALA A 24 18.426 -15.430 1.119 1.00 0.00 C ATOM 348 O ALA A 24 17.258 -15.424 1.541 1.00 0.00 O ATOM 349 CB ALA A 24 20.219 -17.104 1.861 1.00 0.00 C ATOM 0 H ALA A 24 20.771 -16.831 -0.514 1.00 0.00 H new ATOM 0 HA ALA A 24 18.367 -17.543 0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.773 -17.099 2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 24 20.638 -18.089 1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 24 21.011 -16.356 1.814 1.00 0.00 H new ATOM 355 N LEU A 25 19.134 -14.301 0.884 1.00 0.00 N ATOM 356 CA LEU A 25 18.583 -12.936 1.095 1.00 0.00 C ATOM 357 C LEU A 25 17.446 -12.623 0.114 1.00 0.00 C ATOM 358 O LEU A 25 16.526 -11.864 0.450 1.00 0.00 O ATOM 359 CB LEU A 25 19.679 -11.853 0.937 1.00 0.00 C ATOM 360 CG LEU A 25 20.812 -11.853 1.997 1.00 0.00 C ATOM 361 CD1 LEU A 25 21.839 -10.743 1.696 1.00 0.00 C ATOM 362 CD2 LEU A 25 20.250 -11.711 3.430 1.00 0.00 C ATOM 0 H LEU A 25 20.096 -14.306 0.545 1.00 0.00 H new ATOM 0 HA LEU A 25 18.195 -12.919 2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.133 -11.968 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.197 -10.875 0.953 1.00 0.00 H new ATOM 0 HG LEU A 25 21.319 -12.816 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.625 -10.760 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.277 -10.910 0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.342 -9.773 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.072 -11.715 4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.700 -10.773 3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.580 -12.544 3.642 1.00 0.00 H new ATOM 374 N GLU A 26 17.547 -13.188 -1.105 1.00 0.00 N ATOM 375 CA GLU A 26 16.541 -13.015 -2.165 1.00 0.00 C ATOM 376 C GLU A 26 15.186 -13.540 -1.681 1.00 0.00 C ATOM 377 O GLU A 26 14.208 -12.796 -1.669 1.00 0.00 O ATOM 378 CB GLU A 26 16.984 -13.748 -3.459 1.00 0.00 C ATOM 379 CG GLU A 26 16.010 -13.649 -4.648 1.00 0.00 C ATOM 380 CD GLU A 26 16.503 -14.403 -5.896 1.00 0.00 C ATOM 381 OE1 GLU A 26 16.476 -15.652 -5.896 1.00 0.00 O ATOM 382 OE2 GLU A 26 16.899 -13.749 -6.889 1.00 0.00 O ATOM 0 H GLU A 26 18.332 -13.778 -1.381 1.00 0.00 H new ATOM 0 HA GLU A 26 16.445 -11.954 -2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 26 17.949 -13.348 -3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.136 -14.801 -3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.040 -14.047 -4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.860 -12.599 -4.901 1.00 0.00 H new ATOM 389 N GLU A 27 15.194 -14.807 -1.215 1.00 0.00 N ATOM 390 CA GLU A 27 14.007 -15.500 -0.675 1.00 0.00 C ATOM 391 C GLU A 27 13.358 -14.678 0.444 1.00 0.00 C ATOM 392 O GLU A 27 12.183 -14.355 0.371 1.00 0.00 O ATOM 393 CB GLU A 27 14.415 -16.897 -0.131 1.00 0.00 C ATOM 394 CG GLU A 27 14.964 -17.860 -1.193 1.00 0.00 C ATOM 395 CD GLU A 27 13.908 -18.289 -2.220 1.00 0.00 C ATOM 396 OE1 GLU A 27 13.056 -19.142 -1.885 1.00 0.00 O ATOM 397 OE2 GLU A 27 13.912 -17.771 -3.354 1.00 0.00 O ATOM 0 H GLU A 27 16.035 -15.383 -1.203 1.00 0.00 H new ATOM 0 HA GLU A 27 13.282 -15.620 -1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.169 -16.764 0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.547 -17.356 0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 27 15.795 -17.383 -1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.363 -18.746 -0.700 1.00 0.00 H new ATOM 404 N ALA A 28 14.189 -14.294 1.424 1.00 0.00 N ATOM 405 CA ALA A 28 13.774 -13.547 2.628 1.00 0.00 C ATOM 406 C ALA A 28 13.054 -12.228 2.274 1.00 0.00 C ATOM 407 O ALA A 28 12.003 -11.907 2.837 1.00 0.00 O ATOM 408 CB ALA A 28 15.010 -13.271 3.496 1.00 0.00 C ATOM 0 H ALA A 28 15.189 -14.496 1.405 1.00 0.00 H new ATOM 0 HA ALA A 28 13.059 -14.156 3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.713 -12.719 4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.467 -14.216 3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.729 -12.681 2.928 1.00 0.00 H new ATOM 414 N ALA A 29 13.644 -11.489 1.326 1.00 0.00 N ATOM 415 CA ALA A 29 13.086 -10.227 0.811 1.00 0.00 C ATOM 416 C ALA A 29 11.798 -10.430 -0.028 1.00 0.00 C ATOM 417 O ALA A 29 10.919 -9.557 -0.036 1.00 0.00 O ATOM 418 CB ALA A 29 14.154 -9.498 -0.001 1.00 0.00 C ATOM 0 H ALA A 29 14.528 -11.750 0.890 1.00 0.00 H new ATOM 0 HA ALA A 29 12.792 -9.622 1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.745 -8.563 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 29 15.013 -9.284 0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.468 -10.125 -0.835 1.00 0.00 H new ATOM 424 N VAL A 30 11.672 -11.593 -0.699 1.00 0.00 N ATOM 425 CA VAL A 30 10.475 -11.919 -1.516 1.00 0.00 C ATOM 426 C VAL A 30 9.295 -12.221 -0.568 1.00 0.00 C ATOM 427 O VAL A 30 8.152 -11.802 -0.803 1.00 0.00 O ATOM 428 CB VAL A 30 10.756 -13.143 -2.482 1.00 0.00 C ATOM 429 CG1 VAL A 30 9.463 -13.682 -3.143 1.00 0.00 C ATOM 430 CG2 VAL A 30 11.792 -12.774 -3.572 1.00 0.00 C ATOM 0 H VAL A 30 12.382 -12.325 -0.694 1.00 0.00 H new ATOM 0 HA VAL A 30 10.226 -11.066 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 30 11.167 -13.937 -1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.710 -14.520 -3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.771 -14.016 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.997 -12.890 -3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.963 -13.635 -4.218 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.414 -11.943 -4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.730 -12.484 -3.099 1.00 0.00 H new ATOM 440 N GLU A 31 9.628 -12.907 0.535 1.00 0.00 N ATOM 441 CA GLU A 31 8.686 -13.282 1.605 1.00 0.00 C ATOM 442 C GLU A 31 8.266 -12.047 2.433 1.00 0.00 C ATOM 443 O GLU A 31 7.195 -12.045 3.051 1.00 0.00 O ATOM 444 CB GLU A 31 9.358 -14.357 2.503 1.00 0.00 C ATOM 445 CG GLU A 31 9.781 -15.641 1.748 1.00 0.00 C ATOM 446 CD GLU A 31 8.618 -16.596 1.421 1.00 0.00 C ATOM 447 OE1 GLU A 31 7.903 -16.363 0.422 1.00 0.00 O ATOM 448 OE2 GLU A 31 8.397 -17.567 2.177 1.00 0.00 O ATOM 0 H GLU A 31 10.581 -13.225 0.714 1.00 0.00 H new ATOM 0 HA GLU A 31 7.778 -13.693 1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.238 -13.921 2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.669 -14.629 3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.274 -15.356 0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.517 -16.176 2.348 1.00 0.00 H new ATOM 455 N ALA A 32 9.111 -10.998 2.420 1.00 0.00 N ATOM 456 CA ALA A 32 8.822 -9.713 3.087 1.00 0.00 C ATOM 457 C ALA A 32 7.774 -8.887 2.305 1.00 0.00 C ATOM 458 O ALA A 32 7.123 -8.008 2.876 1.00 0.00 O ATOM 459 CB ALA A 32 10.114 -8.925 3.281 1.00 0.00 C ATOM 0 H ALA A 32 10.014 -11.017 1.946 1.00 0.00 H new ATOM 0 HA ALA A 32 8.392 -9.925 4.066 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.892 -7.978 3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.803 -9.502 3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.571 -8.731 2.311 1.00 0.00 H new ATOM 465 N GLY A 33 7.630 -9.169 0.991 1.00 0.00 N ATOM 466 CA GLY A 33 6.543 -8.599 0.173 1.00 0.00 C ATOM 467 C GLY A 33 6.981 -7.488 -0.776 1.00 0.00 C ATOM 468 O GLY A 33 6.140 -6.932 -1.495 1.00 0.00 O ATOM 0 H GLY A 33 8.255 -9.789 0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.087 -9.399 -0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.772 -8.209 0.837 1.00 0.00 H new ATOM 472 N TYR A 34 8.281 -7.149 -0.781 1.00 0.00 N ATOM 473 CA TYR A 34 8.852 -6.125 -1.693 1.00 0.00 C ATOM 474 C TYR A 34 9.824 -6.743 -2.713 1.00 0.00 C ATOM 475 O TYR A 34 10.051 -7.962 -2.722 1.00 0.00 O ATOM 476 CB TYR A 34 9.532 -4.982 -0.886 1.00 0.00 C ATOM 477 CG TYR A 34 10.417 -5.375 0.309 1.00 0.00 C ATOM 478 CD1 TYR A 34 11.305 -6.449 0.268 1.00 0.00 C ATOM 479 CD2 TYR A 34 10.348 -4.658 1.499 1.00 0.00 C ATOM 480 CE1 TYR A 34 12.075 -6.769 1.357 1.00 0.00 C ATOM 481 CE2 TYR A 34 11.115 -4.980 2.575 1.00 0.00 C ATOM 482 CZ TYR A 34 11.970 -6.037 2.509 1.00 0.00 C ATOM 483 OH TYR A 34 12.724 -6.367 3.600 1.00 0.00 O ATOM 0 H TYR A 34 8.969 -7.571 -0.158 1.00 0.00 H new ATOM 0 HA TYR A 34 8.026 -5.695 -2.260 1.00 0.00 H new ATOM 0 HB2 TYR A 34 10.142 -4.401 -1.578 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.748 -4.320 -0.519 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.388 -7.037 -0.634 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.667 -3.823 1.570 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.764 -7.599 1.306 1.00 0.00 H new ATOM 0 HE2 TYR A 34 11.046 -4.397 3.482 1.00 0.00 H new ATOM 0 HH TYR A 34 12.143 -6.456 4.384 1.00 0.00 H new ATOM 493 N GLU A 35 10.386 -5.869 -3.576 1.00 0.00 N ATOM 494 CA GLU A 35 11.348 -6.259 -4.619 1.00 0.00 C ATOM 495 C GLU A 35 12.752 -6.452 -4.000 1.00 0.00 C ATOM 496 O GLU A 35 13.073 -5.836 -2.982 1.00 0.00 O ATOM 497 CB GLU A 35 11.378 -5.169 -5.732 1.00 0.00 C ATOM 498 CG GLU A 35 12.151 -5.573 -7.011 1.00 0.00 C ATOM 499 CD GLU A 35 12.080 -4.520 -8.128 1.00 0.00 C ATOM 500 OE1 GLU A 35 12.835 -3.527 -8.070 1.00 0.00 O ATOM 501 OE2 GLU A 35 11.268 -4.677 -9.069 1.00 0.00 O ATOM 0 H GLU A 35 10.181 -4.870 -3.565 1.00 0.00 H new ATOM 0 HA GLU A 35 11.040 -7.205 -5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.353 -4.921 -6.006 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.827 -4.264 -5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.196 -5.749 -6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.751 -6.516 -7.385 1.00 0.00 H new ATOM 508 N VAL A 36 13.576 -7.310 -4.627 1.00 0.00 N ATOM 509 CA VAL A 36 14.964 -7.576 -4.195 1.00 0.00 C ATOM 510 C VAL A 36 15.930 -7.507 -5.400 1.00 0.00 C ATOM 511 O VAL A 36 15.575 -7.920 -6.508 1.00 0.00 O ATOM 512 CB VAL A 36 15.085 -8.967 -3.465 1.00 0.00 C ATOM 513 CG1 VAL A 36 14.697 -10.154 -4.377 1.00 0.00 C ATOM 514 CG2 VAL A 36 16.494 -9.167 -2.849 1.00 0.00 C ATOM 0 H VAL A 36 13.299 -7.842 -5.452 1.00 0.00 H new ATOM 0 HA VAL A 36 15.243 -6.802 -3.480 1.00 0.00 H new ATOM 0 HB VAL A 36 14.362 -8.950 -2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.799 -11.087 -3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.664 -10.038 -4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.354 -10.175 -5.246 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.540 -10.137 -2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.245 -9.126 -3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.688 -8.379 -2.122 1.00 0.00 H new ATOM 524 N LYS A 37 17.137 -6.948 -5.179 1.00 0.00 N ATOM 525 CA LYS A 37 18.228 -6.962 -6.175 1.00 0.00 C ATOM 526 C LYS A 37 19.572 -7.035 -5.439 1.00 0.00 C ATOM 527 O LYS A 37 19.882 -6.160 -4.639 1.00 0.00 O ATOM 528 CB LYS A 37 18.183 -5.702 -7.074 1.00 0.00 C ATOM 529 CG LYS A 37 19.192 -5.732 -8.252 1.00 0.00 C ATOM 530 CD LYS A 37 18.780 -6.686 -9.380 1.00 0.00 C ATOM 531 CE LYS A 37 19.834 -6.763 -10.492 1.00 0.00 C ATOM 532 NZ LYS A 37 19.344 -7.547 -11.664 1.00 0.00 N ATOM 0 H LYS A 37 17.382 -6.476 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 37 18.106 -7.833 -6.819 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.176 -5.590 -7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.382 -4.823 -6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.297 -4.726 -8.657 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.171 -6.028 -7.875 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.616 -7.682 -8.969 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.832 -6.356 -9.804 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.098 -5.755 -10.813 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.742 -7.222 -10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.638 -7.076 -12.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.746 -8.506 -11.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.306 -7.606 -11.633 1.00 0.00 H new ATOM 546 N ILE A 38 20.353 -8.093 -5.686 1.00 0.00 N ATOM 547 CA ILE A 38 21.626 -8.337 -4.973 1.00 0.00 C ATOM 548 C ILE A 38 22.826 -8.398 -5.940 1.00 0.00 C ATOM 549 O ILE A 38 22.934 -9.335 -6.736 1.00 0.00 O ATOM 550 CB ILE A 38 21.507 -9.671 -4.162 1.00 0.00 C ATOM 551 CG1 ILE A 38 20.258 -9.599 -3.219 1.00 0.00 C ATOM 552 CG2 ILE A 38 22.805 -9.969 -3.354 1.00 0.00 C ATOM 553 CD1 ILE A 38 19.795 -10.915 -2.671 1.00 0.00 C ATOM 0 H ILE A 38 20.128 -8.805 -6.381 1.00 0.00 H new ATOM 0 HA ILE A 38 21.808 -7.503 -4.295 1.00 0.00 H new ATOM 0 HB ILE A 38 21.376 -10.494 -4.864 1.00 0.00 H new ATOM 0 HG12 ILE A 38 20.491 -8.938 -2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 38 19.434 -9.142 -3.768 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.685 -10.902 -2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 38 23.648 -10.058 -4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 38 22.992 -9.156 -2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.927 -10.757 -2.031 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.524 -11.577 -3.494 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.597 -11.369 -2.089 1.00 0.00 H new ATOM 565 N GLU A 39 23.725 -7.399 -5.850 1.00 0.00 N ATOM 566 CA GLU A 39 24.986 -7.367 -6.617 1.00 0.00 C ATOM 567 C GLU A 39 26.032 -8.247 -5.917 1.00 0.00 C ATOM 568 O GLU A 39 26.400 -8.000 -4.768 1.00 0.00 O ATOM 569 CB GLU A 39 25.492 -5.906 -6.751 1.00 0.00 C ATOM 570 CG GLU A 39 26.834 -5.726 -7.478 1.00 0.00 C ATOM 571 CD GLU A 39 27.304 -4.256 -7.578 1.00 0.00 C ATOM 572 OE1 GLU A 39 26.469 -3.365 -7.872 1.00 0.00 O ATOM 573 OE2 GLU A 39 28.514 -4.001 -7.446 1.00 0.00 O ATOM 0 H GLU A 39 23.597 -6.590 -5.242 1.00 0.00 H new ATOM 0 HA GLU A 39 24.813 -7.758 -7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 39 24.734 -5.326 -7.278 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.582 -5.480 -5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 39 27.597 -6.306 -6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 39 26.749 -6.139 -8.483 1.00 0.00 H new ATOM 580 N THR A 40 26.464 -9.294 -6.610 1.00 0.00 N ATOM 581 CA THR A 40 27.473 -10.229 -6.124 1.00 0.00 C ATOM 582 C THR A 40 28.849 -9.879 -6.715 1.00 0.00 C ATOM 583 O THR A 40 29.031 -9.941 -7.930 1.00 0.00 O ATOM 584 CB THR A 40 27.062 -11.686 -6.504 1.00 0.00 C ATOM 585 OG1 THR A 40 26.703 -11.752 -7.894 1.00 0.00 O ATOM 586 CG2 THR A 40 25.884 -12.183 -5.656 1.00 0.00 C ATOM 0 H THR A 40 26.117 -9.521 -7.542 1.00 0.00 H new ATOM 0 HA THR A 40 27.541 -10.156 -5.039 1.00 0.00 H new ATOM 0 HB THR A 40 27.921 -12.328 -6.309 1.00 0.00 H new ATOM 0 HG1 THR A 40 26.330 -12.636 -8.094 1.00 0.00 H new ATOM 0 HG21 THR A 40 25.628 -13.201 -5.950 1.00 0.00 H new ATOM 0 HG22 THR A 40 26.163 -12.169 -4.602 1.00 0.00 H new ATOM 0 HG23 THR A 40 25.023 -11.532 -5.812 1.00 0.00 H new ATOM 594 N GLN A 41 29.803 -9.491 -5.853 1.00 0.00 N ATOM 595 CA GLN A 41 31.195 -9.210 -6.254 1.00 0.00 C ATOM 596 C GLN A 41 32.126 -10.321 -5.732 1.00 0.00 C ATOM 597 O GLN A 41 31.845 -10.938 -4.704 1.00 0.00 O ATOM 598 CB GLN A 41 31.654 -7.838 -5.702 1.00 0.00 C ATOM 599 CG GLN A 41 30.684 -6.674 -5.979 1.00 0.00 C ATOM 600 CD GLN A 41 31.278 -5.290 -5.700 1.00 0.00 C ATOM 601 OE1 GLN A 41 30.607 -4.403 -5.196 1.00 0.00 O ATOM 602 NE2 GLN A 41 32.530 -5.073 -6.074 1.00 0.00 N ATOM 0 H GLN A 41 29.632 -9.362 -4.856 1.00 0.00 H new ATOM 0 HA GLN A 41 31.243 -9.181 -7.343 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.797 -7.925 -4.625 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.625 -7.594 -6.134 1.00 0.00 H new ATOM 0 HG2 GLN A 41 30.367 -6.719 -7.021 1.00 0.00 H new ATOM 0 HG3 GLN A 41 29.791 -6.805 -5.368 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.075 -5.826 -6.493 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.949 -4.152 -5.943 1.00 0.00 H new ATOM 611 N GLY A 42 33.232 -10.562 -6.443 1.00 0.00 N ATOM 612 CA GLY A 42 34.197 -11.585 -6.049 1.00 0.00 C ATOM 613 C GLY A 42 35.454 -11.568 -6.898 1.00 0.00 C ATOM 614 O GLY A 42 35.591 -10.723 -7.792 1.00 0.00 O ATOM 0 H GLY A 42 33.479 -10.060 -7.296 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.469 -11.438 -5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 42 33.729 -12.567 -6.122 1.00 0.00 H new ATOM 618 N ALA A 43 36.363 -12.524 -6.629 1.00 0.00 N ATOM 619 CA ALA A 43 37.654 -12.654 -7.345 1.00 0.00 C ATOM 620 C ALA A 43 37.472 -13.070 -8.826 1.00 0.00 C ATOM 621 O ALA A 43 38.387 -12.913 -9.640 1.00 0.00 O ATOM 622 CB ALA A 43 38.551 -13.656 -6.604 1.00 0.00 C ATOM 0 H ALA A 43 36.226 -13.232 -5.908 1.00 0.00 H new ATOM 0 HA ALA A 43 38.130 -11.673 -7.356 1.00 0.00 H new ATOM 0 HB1 ALA A 43 39.501 -13.752 -7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 43 38.732 -13.301 -5.590 1.00 0.00 H new ATOM 0 HB3 ALA A 43 38.057 -14.627 -6.566 1.00 0.00 H new ATOM 628 N ASP A 44 36.293 -13.631 -9.147 1.00 0.00 N ATOM 629 CA ASP A 44 35.902 -13.981 -10.530 1.00 0.00 C ATOM 630 C ASP A 44 35.416 -12.729 -11.296 1.00 0.00 C ATOM 631 O ASP A 44 35.582 -12.622 -12.518 1.00 0.00 O ATOM 632 CB ASP A 44 34.781 -15.057 -10.509 1.00 0.00 C ATOM 633 CG ASP A 44 35.215 -16.368 -9.826 1.00 0.00 C ATOM 634 OD1 ASP A 44 35.306 -16.392 -8.583 1.00 0.00 O ATOM 635 OD2 ASP A 44 35.479 -17.371 -10.521 1.00 0.00 O ATOM 0 H ASP A 44 35.579 -13.857 -8.454 1.00 0.00 H new ATOM 0 HA ASP A 44 36.776 -14.382 -11.043 1.00 0.00 H new ATOM 0 HB2 ASP A 44 33.910 -14.656 -9.991 1.00 0.00 H new ATOM 0 HB3 ASP A 44 34.473 -15.272 -11.532 1.00 0.00 H new ATOM 640 N GLY A 45 34.808 -11.796 -10.552 1.00 0.00 N ATOM 641 CA GLY A 45 34.221 -10.580 -11.115 1.00 0.00 C ATOM 642 C GLY A 45 32.944 -10.200 -10.388 1.00 0.00 C ATOM 643 O GLY A 45 32.729 -10.624 -9.246 1.00 0.00 O ATOM 0 H GLY A 45 34.711 -11.867 -9.539 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.938 -9.762 -11.048 1.00 0.00 H new ATOM 0 HA3 GLY A 45 34.009 -10.732 -12.173 1.00 0.00 H new ATOM 647 N ILE A 46 32.084 -9.401 -11.044 1.00 0.00 N ATOM 648 CA ILE A 46 30.796 -8.956 -10.467 1.00 0.00 C ATOM 649 C ILE A 46 29.624 -9.486 -11.322 1.00 0.00 C ATOM 650 O ILE A 46 29.789 -9.760 -12.521 1.00 0.00 O ATOM 651 CB ILE A 46 30.722 -7.381 -10.339 1.00 0.00 C ATOM 652 CG1 ILE A 46 31.997 -6.815 -9.630 1.00 0.00 C ATOM 653 CG2 ILE A 46 29.450 -6.940 -9.572 1.00 0.00 C ATOM 654 CD1 ILE A 46 32.014 -5.304 -9.458 1.00 0.00 C ATOM 0 H ILE A 46 32.258 -9.045 -11.984 1.00 0.00 H new ATOM 0 HA ILE A 46 30.720 -9.367 -9.460 1.00 0.00 H new ATOM 0 HB ILE A 46 30.675 -6.974 -11.349 1.00 0.00 H new ATOM 0 HG12 ILE A 46 32.086 -7.279 -8.648 1.00 0.00 H new ATOM 0 HG13 ILE A 46 32.876 -7.111 -10.203 1.00 0.00 H new ATOM 0 HG21 ILE A 46 29.427 -5.853 -9.500 1.00 0.00 H new ATOM 0 HG22 ILE A 46 28.565 -7.287 -10.105 1.00 0.00 H new ATOM 0 HG23 ILE A 46 29.462 -7.370 -8.570 1.00 0.00 H new ATOM 0 HD11 ILE A 46 32.935 -5.005 -8.958 1.00 0.00 H new ATOM 0 HD12 ILE A 46 31.961 -4.826 -10.436 1.00 0.00 H new ATOM 0 HD13 ILE A 46 31.158 -4.997 -8.857 1.00 0.00 H new ATOM 666 N GLN A 47 28.446 -9.626 -10.694 1.00 0.00 N ATOM 667 CA GLN A 47 27.228 -10.129 -11.332 1.00 0.00 C ATOM 668 C GLN A 47 25.990 -9.496 -10.672 1.00 0.00 C ATOM 669 O GLN A 47 26.049 -9.112 -9.499 1.00 0.00 O ATOM 670 CB GLN A 47 27.181 -11.676 -11.202 1.00 0.00 C ATOM 671 CG GLN A 47 26.042 -12.369 -11.977 1.00 0.00 C ATOM 672 CD GLN A 47 26.052 -12.126 -13.494 1.00 0.00 C ATOM 673 OE1 GLN A 47 24.997 -12.076 -14.123 1.00 0.00 O ATOM 674 NE2 GLN A 47 27.229 -12.005 -14.102 1.00 0.00 N ATOM 0 H GLN A 47 28.315 -9.387 -9.711 1.00 0.00 H new ATOM 0 HA GLN A 47 27.231 -9.860 -12.388 1.00 0.00 H new ATOM 0 HB2 GLN A 47 28.132 -12.082 -11.547 1.00 0.00 H new ATOM 0 HB3 GLN A 47 27.089 -11.933 -10.147 1.00 0.00 H new ATOM 0 HG2 GLN A 47 26.099 -13.442 -11.795 1.00 0.00 H new ATOM 0 HG3 GLN A 47 25.088 -12.027 -11.575 1.00 0.00 H new ATOM 0 HE21 GLN A 47 28.091 -12.050 -13.558 1.00 0.00 H new ATOM 0 HE22 GLN A 47 27.270 -11.867 -15.112 1.00 0.00 H new ATOM 683 N ASN A 48 24.886 -9.384 -11.450 1.00 0.00 N ATOM 684 CA ASN A 48 23.568 -8.874 -10.983 1.00 0.00 C ATOM 685 C ASN A 48 23.713 -7.413 -10.490 1.00 0.00 C ATOM 686 O ASN A 48 23.111 -7.011 -9.479 1.00 0.00 O ATOM 687 CB ASN A 48 22.963 -9.818 -9.879 1.00 0.00 C ATOM 688 CG ASN A 48 21.435 -9.916 -9.904 1.00 0.00 C ATOM 689 OD1 ASN A 48 20.819 -9.878 -10.968 1.00 0.00 O ATOM 690 ND2 ASN A 48 20.809 -10.040 -8.733 1.00 0.00 N ATOM 0 H ASN A 48 24.883 -9.649 -12.435 1.00 0.00 H new ATOM 0 HA ASN A 48 22.866 -8.875 -11.817 1.00 0.00 H new ATOM 0 HB2 ASN A 48 23.382 -10.817 -10.002 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.277 -9.459 -8.899 1.00 0.00 H new ATOM 0 HD21 ASN A 48 19.792 -10.106 -8.703 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.348 -10.069 -7.867 1.00 0.00 H new ATOM 697 N ARG A 49 24.496 -6.633 -11.275 1.00 0.00 N ATOM 698 CA ARG A 49 24.977 -5.285 -10.920 1.00 0.00 C ATOM 699 C ARG A 49 23.820 -4.335 -10.540 1.00 0.00 C ATOM 700 O ARG A 49 22.892 -4.120 -11.332 1.00 0.00 O ATOM 701 CB ARG A 49 25.782 -4.678 -12.116 1.00 0.00 C ATOM 702 CG ARG A 49 26.775 -3.538 -11.744 1.00 0.00 C ATOM 703 CD ARG A 49 28.036 -4.086 -11.052 1.00 0.00 C ATOM 704 NE ARG A 49 29.051 -3.068 -10.716 1.00 0.00 N ATOM 705 CZ ARG A 49 30.075 -2.693 -11.515 1.00 0.00 C ATOM 706 NH1 ARG A 49 30.134 -3.067 -12.790 1.00 0.00 N ATOM 707 NH2 ARG A 49 31.038 -1.929 -11.025 1.00 0.00 N ATOM 0 H ARG A 49 24.816 -6.936 -12.195 1.00 0.00 H new ATOM 0 HA ARG A 49 25.622 -5.387 -10.047 1.00 0.00 H new ATOM 0 HB2 ARG A 49 26.340 -5.479 -12.600 1.00 0.00 H new ATOM 0 HB3 ARG A 49 25.074 -4.294 -12.851 1.00 0.00 H new ATOM 0 HG2 ARG A 49 27.061 -2.996 -12.645 1.00 0.00 H new ATOM 0 HG3 ARG A 49 26.280 -2.824 -11.086 1.00 0.00 H new ATOM 0 HD2 ARG A 49 27.738 -4.597 -10.137 1.00 0.00 H new ATOM 0 HD3 ARG A 49 28.493 -4.834 -11.700 1.00 0.00 H new ATOM 0 HE ARG A 49 28.973 -2.611 -9.808 1.00 0.00 H new ATOM 0 HH11 ARG A 49 29.396 -3.650 -13.185 1.00 0.00 H new ATOM 0 HH12 ARG A 49 30.917 -2.771 -13.373 1.00 0.00 H new ATOM 0 HH21 ARG A 49 31.004 -1.628 -10.051 1.00 0.00 H new ATOM 0 HH22 ARG A 49 31.814 -1.642 -11.621 1.00 0.00 H new ATOM 721 N LEU A 50 23.890 -3.805 -9.315 1.00 0.00 N ATOM 722 CA LEU A 50 22.983 -2.755 -8.824 1.00 0.00 C ATOM 723 C LEU A 50 23.227 -1.451 -9.585 1.00 0.00 C ATOM 724 O LEU A 50 24.362 -1.161 -9.959 1.00 0.00 O ATOM 725 CB LEU A 50 23.198 -2.562 -7.291 1.00 0.00 C ATOM 726 CG LEU A 50 22.625 -3.718 -6.407 1.00 0.00 C ATOM 727 CD1 LEU A 50 23.206 -3.740 -4.982 1.00 0.00 C ATOM 728 CD2 LEU A 50 21.110 -3.628 -6.352 1.00 0.00 C ATOM 0 H LEU A 50 24.585 -4.094 -8.626 1.00 0.00 H new ATOM 0 HA LEU A 50 21.949 -3.053 -8.996 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.266 -2.467 -7.096 1.00 0.00 H new ATOM 0 HB3 LEU A 50 22.734 -1.624 -6.987 1.00 0.00 H new ATOM 0 HG LEU A 50 22.927 -4.652 -6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.766 -4.566 -4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.287 -3.870 -5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.977 -2.800 -4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 50 20.720 -4.437 -5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 50 20.818 -2.670 -5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 50 20.704 -3.713 -7.360 1.00 0.00 H new ATOM 740 N THR A 51 22.150 -0.693 -9.837 1.00 0.00 N ATOM 741 CA THR A 51 22.209 0.621 -10.502 1.00 0.00 C ATOM 742 C THR A 51 21.844 1.717 -9.496 1.00 0.00 C ATOM 743 O THR A 51 21.397 1.412 -8.388 1.00 0.00 O ATOM 744 CB THR A 51 21.230 0.696 -11.723 1.00 0.00 C ATOM 745 OG1 THR A 51 19.868 0.698 -11.254 1.00 0.00 O ATOM 746 CG2 THR A 51 21.429 -0.478 -12.709 1.00 0.00 C ATOM 0 H THR A 51 21.203 -0.976 -9.583 1.00 0.00 H new ATOM 0 HA THR A 51 23.224 0.765 -10.871 1.00 0.00 H new ATOM 0 HB THR A 51 21.450 1.620 -12.258 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.692 -0.129 -10.758 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.727 -0.380 -13.537 1.00 0.00 H new ATOM 0 HG22 THR A 51 22.449 -0.461 -13.093 1.00 0.00 H new ATOM 0 HG23 THR A 51 21.251 -1.421 -12.192 1.00 0.00 H new ATOM 754 N ALA A 52 22.002 2.990 -9.903 1.00 0.00 N ATOM 755 CA ALA A 52 21.616 4.147 -9.077 1.00 0.00 C ATOM 756 C ALA A 52 20.108 4.117 -8.734 1.00 0.00 C ATOM 757 O ALA A 52 19.714 4.594 -7.671 1.00 0.00 O ATOM 758 CB ALA A 52 21.985 5.448 -9.796 1.00 0.00 C ATOM 0 H ALA A 52 22.398 3.244 -10.808 1.00 0.00 H new ATOM 0 HA ALA A 52 22.165 4.095 -8.137 1.00 0.00 H new ATOM 0 HB1 ALA A 52 21.697 6.299 -9.179 1.00 0.00 H new ATOM 0 HB2 ALA A 52 23.061 5.475 -9.971 1.00 0.00 H new ATOM 0 HB3 ALA A 52 21.461 5.498 -10.750 1.00 0.00 H new ATOM 764 N GLN A 53 19.295 3.529 -9.648 1.00 0.00 N ATOM 765 CA GLN A 53 17.840 3.339 -9.455 1.00 0.00 C ATOM 766 C GLN A 53 17.564 2.384 -8.278 1.00 0.00 C ATOM 767 O GLN A 53 16.739 2.685 -7.409 1.00 0.00 O ATOM 768 CB GLN A 53 17.193 2.771 -10.747 1.00 0.00 C ATOM 769 CG GLN A 53 15.656 2.637 -10.671 1.00 0.00 C ATOM 770 CD GLN A 53 15.021 1.923 -11.868 1.00 0.00 C ATOM 771 OE1 GLN A 53 15.534 1.957 -12.988 1.00 0.00 O ATOM 772 NE2 GLN A 53 13.888 1.285 -11.629 1.00 0.00 N ATOM 0 H GLN A 53 19.634 3.173 -10.542 1.00 0.00 H new ATOM 0 HA GLN A 53 17.401 4.311 -9.230 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.450 3.418 -11.585 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.623 1.792 -10.957 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.396 2.096 -9.761 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.221 3.633 -10.585 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.494 1.280 -10.688 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.407 0.798 -12.386 1.00 0.00 H new ATOM 781 N ASP A 54 18.282 1.243 -8.269 1.00 0.00 N ATOM 782 CA ASP A 54 18.166 0.219 -7.207 1.00 0.00 C ATOM 783 C ASP A 54 18.519 0.809 -5.830 1.00 0.00 C ATOM 784 O ASP A 54 17.803 0.587 -4.857 1.00 0.00 O ATOM 785 CB ASP A 54 19.088 -0.996 -7.497 1.00 0.00 C ATOM 786 CG ASP A 54 18.667 -1.826 -8.721 1.00 0.00 C ATOM 787 OD1 ASP A 54 17.655 -2.538 -8.642 1.00 0.00 O ATOM 788 OD2 ASP A 54 19.334 -1.769 -9.767 1.00 0.00 O ATOM 0 H ASP A 54 18.957 1.004 -8.995 1.00 0.00 H new ATOM 0 HA ASP A 54 17.129 -0.118 -7.196 1.00 0.00 H new ATOM 0 HB2 ASP A 54 20.106 -0.638 -7.647 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.104 -1.644 -6.620 1.00 0.00 H new ATOM 793 N ILE A 55 19.623 1.579 -5.790 1.00 0.00 N ATOM 794 CA ILE A 55 20.171 2.167 -4.543 1.00 0.00 C ATOM 795 C ILE A 55 19.287 3.340 -4.046 1.00 0.00 C ATOM 796 O ILE A 55 19.205 3.601 -2.840 1.00 0.00 O ATOM 797 CB ILE A 55 21.666 2.652 -4.751 1.00 0.00 C ATOM 798 CG1 ILE A 55 22.515 1.548 -5.453 1.00 0.00 C ATOM 799 CG2 ILE A 55 22.334 3.062 -3.413 1.00 0.00 C ATOM 800 CD1 ILE A 55 23.924 1.977 -5.845 1.00 0.00 C ATOM 0 H ILE A 55 20.165 1.814 -6.622 1.00 0.00 H new ATOM 0 HA ILE A 55 20.167 1.388 -3.781 1.00 0.00 H new ATOM 0 HB ILE A 55 21.628 3.534 -5.391 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.584 0.686 -4.789 1.00 0.00 H new ATOM 0 HG13 ILE A 55 21.988 1.219 -6.349 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.357 3.388 -3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.771 3.878 -2.960 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.344 2.209 -2.735 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.437 1.144 -6.326 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.869 2.818 -6.537 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.475 2.276 -4.953 1.00 0.00 H new ATOM 812 N ALA A 56 18.616 4.020 -5.000 1.00 0.00 N ATOM 813 CA ALA A 56 17.737 5.168 -4.708 1.00 0.00 C ATOM 814 C ALA A 56 16.411 4.706 -4.088 1.00 0.00 C ATOM 815 O ALA A 56 15.981 5.237 -3.058 1.00 0.00 O ATOM 816 CB ALA A 56 17.477 5.988 -5.984 1.00 0.00 C ATOM 0 H ALA A 56 18.669 3.788 -5.992 1.00 0.00 H new ATOM 0 HA ALA A 56 18.245 5.804 -3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.827 6.831 -5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.423 6.359 -6.377 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.996 5.356 -6.731 1.00 0.00 H new ATOM 822 N GLU A 57 15.782 3.707 -4.732 1.00 0.00 N ATOM 823 CA GLU A 57 14.462 3.180 -4.325 1.00 0.00 C ATOM 824 C GLU A 57 14.581 2.182 -3.165 1.00 0.00 C ATOM 825 O GLU A 57 13.561 1.773 -2.595 1.00 0.00 O ATOM 826 CB GLU A 57 13.745 2.517 -5.531 1.00 0.00 C ATOM 827 CG GLU A 57 13.573 3.456 -6.739 1.00 0.00 C ATOM 828 CD GLU A 57 12.644 2.884 -7.820 1.00 0.00 C ATOM 829 OE1 GLU A 57 13.085 2.024 -8.606 1.00 0.00 O ATOM 830 OE2 GLU A 57 11.461 3.291 -7.886 1.00 0.00 O ATOM 0 H GLU A 57 16.173 3.240 -5.550 1.00 0.00 H new ATOM 0 HA GLU A 57 13.867 4.024 -3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.311 1.639 -5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.764 2.166 -5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.176 4.411 -6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.550 3.657 -7.178 1.00 0.00 H new ATOM 837 N ALA A 58 15.829 1.796 -2.837 1.00 0.00 N ATOM 838 CA ALA A 58 16.128 0.863 -1.744 1.00 0.00 C ATOM 839 C ALA A 58 15.664 1.424 -0.387 1.00 0.00 C ATOM 840 O ALA A 58 16.302 2.317 0.186 1.00 0.00 O ATOM 841 CB ALA A 58 17.627 0.529 -1.711 1.00 0.00 C ATOM 0 H ALA A 58 16.659 2.127 -3.328 1.00 0.00 H new ATOM 0 HA ALA A 58 15.574 -0.057 -1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.827 -0.164 -0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.918 0.070 -2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.200 1.444 -1.560 1.00 0.00 H new ATOM 847 N THR A 59 14.510 0.921 0.069 1.00 0.00 N ATOM 848 CA THR A 59 14.009 1.128 1.432 1.00 0.00 C ATOM 849 C THR A 59 15.013 0.522 2.437 1.00 0.00 C ATOM 850 O THR A 59 15.278 1.086 3.509 1.00 0.00 O ATOM 851 CB THR A 59 12.607 0.438 1.593 1.00 0.00 C ATOM 852 OG1 THR A 59 11.742 0.848 0.520 1.00 0.00 O ATOM 853 CG2 THR A 59 11.936 0.747 2.947 1.00 0.00 C ATOM 0 H THR A 59 13.890 0.351 -0.507 1.00 0.00 H new ATOM 0 HA THR A 59 13.900 2.195 1.625 1.00 0.00 H new ATOM 0 HB THR A 59 12.775 -0.638 1.559 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.812 0.842 0.829 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.971 0.242 2.998 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.574 0.395 3.758 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.788 1.823 3.043 1.00 0.00 H new ATOM 861 N ILE A 60 15.582 -0.634 2.041 1.00 0.00 N ATOM 862 CA ILE A 60 16.556 -1.395 2.844 1.00 0.00 C ATOM 863 C ILE A 60 17.793 -1.747 1.988 1.00 0.00 C ATOM 864 O ILE A 60 17.655 -2.072 0.805 1.00 0.00 O ATOM 865 CB ILE A 60 15.893 -2.723 3.388 1.00 0.00 C ATOM 866 CG1 ILE A 60 14.646 -2.420 4.287 1.00 0.00 C ATOM 867 CG2 ILE A 60 16.918 -3.592 4.146 1.00 0.00 C ATOM 868 CD1 ILE A 60 13.894 -3.642 4.801 1.00 0.00 C ATOM 0 H ILE A 60 15.374 -1.070 1.142 1.00 0.00 H new ATOM 0 HA ILE A 60 16.868 -0.779 3.687 1.00 0.00 H new ATOM 0 HB ILE A 60 15.547 -3.288 2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 60 14.972 -1.829 5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 60 13.952 -1.801 3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.431 -4.498 4.507 1.00 0.00 H new ATOM 0 HG22 ILE A 60 17.733 -3.862 3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.315 -3.031 4.992 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.050 -3.320 5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.529 -4.226 3.956 1.00 0.00 H new ATOM 0 HD13 ILE A 60 14.564 -4.255 5.403 1.00 0.00 H new ATOM 880 N ILE A 61 19.008 -1.662 2.597 1.00 0.00 N ATOM 881 CA ILE A 61 20.277 -2.112 1.970 1.00 0.00 C ATOM 882 C ILE A 61 21.067 -2.960 2.984 1.00 0.00 C ATOM 883 O ILE A 61 21.221 -2.554 4.141 1.00 0.00 O ATOM 884 CB ILE A 61 21.195 -0.915 1.493 1.00 0.00 C ATOM 885 CG1 ILE A 61 20.366 0.145 0.704 1.00 0.00 C ATOM 886 CG2 ILE A 61 22.391 -1.438 0.639 1.00 0.00 C ATOM 887 CD1 ILE A 61 21.140 1.359 0.234 1.00 0.00 C ATOM 0 H ILE A 61 19.132 -1.280 3.535 1.00 0.00 H new ATOM 0 HA ILE A 61 20.006 -2.689 1.086 1.00 0.00 H new ATOM 0 HB ILE A 61 21.602 -0.429 2.380 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.922 -0.340 -0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.544 0.482 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.008 -0.597 0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.992 -2.124 1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.010 -1.959 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.471 2.032 -0.303 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.562 1.877 1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.945 1.043 -0.429 1.00 0.00 H new ATOM 899 N ILE A 62 21.547 -4.139 2.548 1.00 0.00 N ATOM 900 CA ILE A 62 22.436 -5.014 3.350 1.00 0.00 C ATOM 901 C ILE A 62 23.770 -5.190 2.580 1.00 0.00 C ATOM 902 O ILE A 62 23.747 -5.400 1.378 1.00 0.00 O ATOM 903 CB ILE A 62 21.805 -6.455 3.615 1.00 0.00 C ATOM 904 CG1 ILE A 62 20.347 -6.399 4.209 1.00 0.00 C ATOM 905 CG2 ILE A 62 22.711 -7.287 4.554 1.00 0.00 C ATOM 906 CD1 ILE A 62 19.228 -6.202 3.201 1.00 0.00 C ATOM 0 H ILE A 62 21.331 -4.517 1.626 1.00 0.00 H new ATOM 0 HA ILE A 62 22.586 -4.539 4.320 1.00 0.00 H new ATOM 0 HB ILE A 62 21.739 -6.934 2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 62 20.161 -7.325 4.753 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.302 -5.588 4.936 1.00 0.00 H new ATOM 0 HG21 ILE A 62 22.261 -8.266 4.721 1.00 0.00 H new ATOM 0 HG22 ILE A 62 23.692 -7.412 4.096 1.00 0.00 H new ATOM 0 HG23 ILE A 62 22.819 -6.770 5.508 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.270 -6.179 3.721 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.377 -5.261 2.672 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.233 -7.025 2.486 1.00 0.00 H new ATOM 918 N HIS A 63 24.932 -5.076 3.254 1.00 0.00 N ATOM 919 CA HIS A 63 26.237 -5.473 2.661 1.00 0.00 C ATOM 920 C HIS A 63 26.742 -6.737 3.351 1.00 0.00 C ATOM 921 O HIS A 63 27.482 -6.685 4.335 1.00 0.00 O ATOM 922 CB HIS A 63 27.296 -4.327 2.703 1.00 0.00 C ATOM 923 CG HIS A 63 27.235 -3.385 1.523 1.00 0.00 C ATOM 924 ND1 HIS A 63 28.338 -2.687 1.107 1.00 0.00 N ATOM 925 CD2 HIS A 63 26.193 -3.071 0.711 1.00 0.00 C ATOM 926 CE1 HIS A 63 27.952 -1.980 0.069 1.00 0.00 C ATOM 927 NE2 HIS A 63 26.659 -2.182 -0.209 1.00 0.00 N ATOM 0 H HIS A 63 25.000 -4.715 4.205 1.00 0.00 H new ATOM 0 HA HIS A 63 26.078 -5.681 1.603 1.00 0.00 H new ATOM 0 HB2 HIS A 63 27.158 -3.753 3.619 1.00 0.00 H new ATOM 0 HB3 HIS A 63 28.291 -4.769 2.750 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.186 -3.454 0.782 1.00 0.00 H new ATOM 0 HE1 HIS A 63 28.598 -1.319 -0.490 1.00 0.00 H new ATOM 0 HE2 HIS A 63 26.125 -1.753 -0.965 1.00 0.00 H new ATOM 935 N SER A 64 26.266 -7.870 2.836 1.00 0.00 N ATOM 936 CA SER A 64 26.681 -9.203 3.255 1.00 0.00 C ATOM 937 C SER A 64 28.038 -9.536 2.635 1.00 0.00 C ATOM 938 O SER A 64 28.128 -10.163 1.573 1.00 0.00 O ATOM 939 CB SER A 64 25.614 -10.202 2.805 1.00 0.00 C ATOM 940 OG SER A 64 24.345 -9.807 3.271 1.00 0.00 O ATOM 0 H SER A 64 25.563 -7.884 2.097 1.00 0.00 H new ATOM 0 HA SER A 64 26.785 -9.251 4.339 1.00 0.00 H new ATOM 0 HB2 SER A 64 25.605 -10.269 1.717 1.00 0.00 H new ATOM 0 HB3 SER A 64 25.854 -11.196 3.183 1.00 0.00 H new ATOM 0 HG SER A 64 23.987 -9.104 2.689 1.00 0.00 H new ATOM 946 N VAL A 65 29.108 -9.053 3.263 1.00 0.00 N ATOM 947 CA VAL A 65 30.457 -9.154 2.696 1.00 0.00 C ATOM 948 C VAL A 65 31.437 -9.785 3.696 1.00 0.00 C ATOM 949 O VAL A 65 31.230 -9.749 4.907 1.00 0.00 O ATOM 950 CB VAL A 65 30.954 -7.738 2.209 1.00 0.00 C ATOM 951 CG1 VAL A 65 29.970 -7.123 1.174 1.00 0.00 C ATOM 952 CG2 VAL A 65 31.178 -6.767 3.392 1.00 0.00 C ATOM 0 H VAL A 65 29.069 -8.585 4.169 1.00 0.00 H new ATOM 0 HA VAL A 65 30.417 -9.814 1.830 1.00 0.00 H new ATOM 0 HB VAL A 65 31.916 -7.889 1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.339 -6.148 0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 65 29.894 -7.781 0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 65 28.987 -7.008 1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.520 -5.804 3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.242 -6.632 3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 65 31.930 -7.180 4.064 1.00 0.00 H new ATOM 962 N ALA A 66 32.464 -10.425 3.150 1.00 0.00 N ATOM 963 CA ALA A 66 33.579 -11.007 3.913 1.00 0.00 C ATOM 964 C ALA A 66 34.800 -10.088 3.789 1.00 0.00 C ATOM 965 O ALA A 66 35.652 -10.020 4.682 1.00 0.00 O ATOM 966 CB ALA A 66 33.894 -12.406 3.373 1.00 0.00 C ATOM 0 H ALA A 66 32.554 -10.561 2.143 1.00 0.00 H new ATOM 0 HA ALA A 66 33.309 -11.098 4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 66 34.720 -12.837 3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 66 33.014 -13.042 3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 66 34.172 -12.336 2.321 1.00 0.00 H new ATOM 972 N VAL A 67 34.854 -9.384 2.645 1.00 0.00 N ATOM 973 CA VAL A 67 35.889 -8.399 2.297 1.00 0.00 C ATOM 974 C VAL A 67 35.200 -7.148 1.738 1.00 0.00 C ATOM 975 O VAL A 67 34.025 -7.213 1.351 1.00 0.00 O ATOM 976 CB VAL A 67 36.904 -8.973 1.232 1.00 0.00 C ATOM 977 CG1 VAL A 67 37.793 -10.087 1.839 1.00 0.00 C ATOM 978 CG2 VAL A 67 36.160 -9.478 -0.041 1.00 0.00 C ATOM 0 H VAL A 67 34.152 -9.490 1.912 1.00 0.00 H new ATOM 0 HA VAL A 67 36.459 -8.156 3.194 1.00 0.00 H new ATOM 0 HB VAL A 67 37.560 -8.156 0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 67 38.480 -10.459 1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 67 38.363 -9.682 2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 67 37.163 -10.904 2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 67 36.885 -9.867 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 67 35.462 -10.269 0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 67 35.612 -8.652 -0.494 1.00 0.00 H new ATOM 988 N THR A 68 35.936 -6.024 1.688 1.00 0.00 N ATOM 989 CA THR A 68 35.413 -4.751 1.186 1.00 0.00 C ATOM 990 C THR A 68 35.068 -4.859 -0.321 1.00 0.00 C ATOM 991 O THR A 68 35.967 -5.134 -1.134 1.00 0.00 O ATOM 992 CB THR A 68 36.440 -3.599 1.414 1.00 0.00 C ATOM 993 OG1 THR A 68 36.857 -3.592 2.792 1.00 0.00 O ATOM 994 CG2 THR A 68 35.863 -2.213 1.038 1.00 0.00 C ATOM 0 H THR A 68 36.908 -5.977 1.995 1.00 0.00 H new ATOM 0 HA THR A 68 34.503 -4.521 1.741 1.00 0.00 H new ATOM 0 HB THR A 68 37.293 -3.785 0.761 1.00 0.00 H new ATOM 0 HG1 THR A 68 37.503 -2.869 2.934 1.00 0.00 H new ATOM 0 HG21 THR A 68 36.616 -1.445 1.215 1.00 0.00 H new ATOM 0 HG22 THR A 68 35.581 -2.210 -0.015 1.00 0.00 H new ATOM 0 HG23 THR A 68 34.984 -2.007 1.649 1.00 0.00 H new ATOM 1002 N PRO A 69 33.763 -4.681 -0.711 1.00 0.00 N ATOM 1003 CA PRO A 69 33.364 -4.660 -2.131 1.00 0.00 C ATOM 1004 C PRO A 69 33.926 -3.414 -2.847 1.00 0.00 C ATOM 1005 O PRO A 69 34.096 -2.366 -2.220 1.00 0.00 O ATOM 1006 CB PRO A 69 31.817 -4.658 -2.077 1.00 0.00 C ATOM 1007 CG PRO A 69 31.458 -4.107 -0.732 1.00 0.00 C ATOM 1008 CD PRO A 69 32.586 -4.500 0.196 1.00 0.00 C ATOM 0 HA PRO A 69 33.752 -5.506 -2.699 1.00 0.00 H new ATOM 0 HB2 PRO A 69 31.398 -4.045 -2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 69 31.420 -5.665 -2.206 1.00 0.00 H new ATOM 0 HG2 PRO A 69 31.346 -3.024 -0.772 1.00 0.00 H new ATOM 0 HG3 PRO A 69 30.508 -4.514 -0.385 1.00 0.00 H new ATOM 0 HD2 PRO A 69 32.774 -3.729 0.943 1.00 0.00 H new ATOM 0 HD3 PRO A 69 32.355 -5.418 0.737 1.00 0.00 H new ATOM 1016 N GLU A 70 34.218 -3.546 -4.152 1.00 0.00 N ATOM 1017 CA GLU A 70 34.780 -2.439 -4.964 1.00 0.00 C ATOM 1018 C GLU A 70 33.779 -1.267 -5.050 1.00 0.00 C ATOM 1019 O GLU A 70 34.167 -0.091 -5.070 1.00 0.00 O ATOM 1020 CB GLU A 70 35.158 -2.934 -6.397 1.00 0.00 C ATOM 1021 CG GLU A 70 35.930 -4.270 -6.450 1.00 0.00 C ATOM 1022 CD GLU A 70 37.174 -4.303 -5.547 1.00 0.00 C ATOM 1023 OE1 GLU A 70 38.199 -3.691 -5.914 1.00 0.00 O ATOM 1024 OE2 GLU A 70 37.129 -4.940 -4.470 1.00 0.00 O ATOM 0 H GLU A 70 34.075 -4.410 -4.674 1.00 0.00 H new ATOM 0 HA GLU A 70 35.687 -2.088 -4.472 1.00 0.00 H new ATOM 0 HB2 GLU A 70 34.243 -3.038 -6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.760 -2.166 -6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 70 35.259 -5.078 -6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 70 36.234 -4.463 -7.479 1.00 0.00 H new ATOM 1031 N ASP A 71 32.489 -1.623 -5.055 1.00 0.00 N ATOM 1032 CA ASP A 71 31.369 -0.684 -5.238 1.00 0.00 C ATOM 1033 C ASP A 71 30.784 -0.202 -3.898 1.00 0.00 C ATOM 1034 O ASP A 71 29.707 0.391 -3.884 1.00 0.00 O ATOM 1035 CB ASP A 71 30.280 -1.374 -6.105 1.00 0.00 C ATOM 1036 CG ASP A 71 30.717 -1.578 -7.566 1.00 0.00 C ATOM 1037 OD1 ASP A 71 31.708 -2.300 -7.816 1.00 0.00 O ATOM 1038 OD2 ASP A 71 30.087 -0.990 -8.471 1.00 0.00 O ATOM 0 H ASP A 71 32.186 -2.589 -4.930 1.00 0.00 H new ATOM 0 HA ASP A 71 31.741 0.207 -5.744 1.00 0.00 H new ATOM 0 HB2 ASP A 71 30.033 -2.341 -5.667 1.00 0.00 H new ATOM 0 HB3 ASP A 71 29.371 -0.773 -6.084 1.00 0.00 H new ATOM 1043 N ASN A 72 31.528 -0.395 -2.789 1.00 0.00 N ATOM 1044 CA ASN A 72 31.046 -0.084 -1.423 1.00 0.00 C ATOM 1045 C ASN A 72 30.688 1.418 -1.249 1.00 0.00 C ATOM 1046 O ASN A 72 29.706 1.758 -0.583 1.00 0.00 O ATOM 1047 CB ASN A 72 32.104 -0.529 -0.368 1.00 0.00 C ATOM 1048 CG ASN A 72 33.289 0.427 -0.201 1.00 0.00 C ATOM 1049 OD1 ASN A 72 33.291 1.288 0.683 1.00 0.00 O ATOM 1050 ND2 ASN A 72 34.286 0.304 -1.060 1.00 0.00 N ATOM 0 H ASN A 72 32.477 -0.769 -2.813 1.00 0.00 H new ATOM 0 HA ASN A 72 30.125 -0.645 -1.264 1.00 0.00 H new ATOM 0 HB2 ASN A 72 31.609 -0.643 0.596 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.485 -1.511 -0.648 1.00 0.00 H new ATOM 0 HD21 ASN A 72 35.088 0.932 -1.004 1.00 0.00 H new ATOM 0 HD22 ASN A 72 34.253 -0.419 -1.779 1.00 0.00 H new ATOM 1057 N GLU A 73 31.475 2.290 -1.910 1.00 0.00 N ATOM 1058 CA GLU A 73 31.372 3.764 -1.770 1.00 0.00 C ATOM 1059 C GLU A 73 30.081 4.339 -2.392 1.00 0.00 C ATOM 1060 O GLU A 73 29.660 5.439 -2.023 1.00 0.00 O ATOM 1061 CB GLU A 73 32.653 4.469 -2.332 1.00 0.00 C ATOM 1062 CG GLU A 73 33.297 3.833 -3.589 1.00 0.00 C ATOM 1063 CD GLU A 73 32.381 3.765 -4.822 1.00 0.00 C ATOM 1064 OE1 GLU A 73 32.136 4.812 -5.450 1.00 0.00 O ATOM 1065 OE2 GLU A 73 31.905 2.665 -5.158 1.00 0.00 O ATOM 0 H GLU A 73 32.204 1.995 -2.559 1.00 0.00 H new ATOM 0 HA GLU A 73 31.308 3.977 -0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 73 32.399 5.503 -2.565 1.00 0.00 H new ATOM 0 HB3 GLU A 73 33.403 4.496 -1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 73 34.190 4.401 -3.849 1.00 0.00 H new ATOM 0 HG3 GLU A 73 33.623 2.823 -3.341 1.00 0.00 H new ATOM 1072 N ARG A 74 29.464 3.583 -3.323 1.00 0.00 N ATOM 1073 CA ARG A 74 28.166 3.956 -3.923 1.00 0.00 C ATOM 1074 C ARG A 74 27.068 3.999 -2.839 1.00 0.00 C ATOM 1075 O ARG A 74 26.230 4.907 -2.785 1.00 0.00 O ATOM 1076 CB ARG A 74 27.739 2.927 -5.004 1.00 0.00 C ATOM 1077 CG ARG A 74 28.754 2.700 -6.136 1.00 0.00 C ATOM 1078 CD ARG A 74 28.349 1.535 -7.054 1.00 0.00 C ATOM 1079 NE ARG A 74 27.101 1.791 -7.765 1.00 0.00 N ATOM 1080 CZ ARG A 74 26.331 0.859 -8.331 1.00 0.00 C ATOM 1081 NH1 ARG A 74 26.617 -0.446 -8.239 1.00 0.00 N ATOM 1082 NH2 ARG A 74 25.258 1.247 -8.992 1.00 0.00 N ATOM 0 H ARG A 74 29.846 2.706 -3.677 1.00 0.00 H new ATOM 0 HA ARG A 74 28.286 4.939 -4.379 1.00 0.00 H new ATOM 0 HB2 ARG A 74 27.545 1.972 -4.516 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.798 3.257 -5.444 1.00 0.00 H new ATOM 0 HG2 ARG A 74 28.846 3.611 -6.727 1.00 0.00 H new ATOM 0 HG3 ARG A 74 29.735 2.498 -5.707 1.00 0.00 H new ATOM 0 HD2 ARG A 74 29.144 1.353 -7.777 1.00 0.00 H new ATOM 0 HD3 ARG A 74 28.245 0.627 -6.459 1.00 0.00 H new ATOM 0 HE ARG A 74 26.792 2.760 -7.835 1.00 0.00 H new ATOM 0 HH11 ARG A 74 27.443 -0.752 -7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 74 26.009 -1.134 -8.683 1.00 0.00 H new ATOM 0 HH21 ARG A 74 25.033 2.239 -9.062 1.00 0.00 H new ATOM 0 HH22 ARG A 74 24.653 0.555 -9.434 1.00 0.00 H new ATOM 1096 N PHE A 75 27.122 2.975 -1.976 1.00 0.00 N ATOM 1097 CA PHE A 75 26.105 2.687 -0.956 1.00 0.00 C ATOM 1098 C PHE A 75 26.426 3.405 0.359 1.00 0.00 C ATOM 1099 O PHE A 75 25.546 3.566 1.205 1.00 0.00 O ATOM 1100 CB PHE A 75 26.038 1.157 -0.729 1.00 0.00 C ATOM 1101 CG PHE A 75 25.822 0.348 -2.007 1.00 0.00 C ATOM 1102 CD1 PHE A 75 26.901 -0.001 -2.821 1.00 0.00 C ATOM 1103 CD2 PHE A 75 24.559 -0.066 -2.393 1.00 0.00 C ATOM 1104 CE1 PHE A 75 26.721 -0.728 -3.978 1.00 0.00 C ATOM 1105 CE2 PHE A 75 24.384 -0.794 -3.547 1.00 0.00 C ATOM 1106 CZ PHE A 75 25.464 -1.128 -4.342 1.00 0.00 C ATOM 0 H PHE A 75 27.893 2.308 -1.968 1.00 0.00 H new ATOM 0 HA PHE A 75 25.139 3.051 -1.305 1.00 0.00 H new ATOM 0 HB2 PHE A 75 26.964 0.829 -0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 75 25.229 0.939 -0.032 1.00 0.00 H new ATOM 0 HD1 PHE A 75 27.897 0.305 -2.538 1.00 0.00 H new ATOM 0 HD2 PHE A 75 23.704 0.185 -1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 75 27.570 -0.981 -4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 75 23.392 -1.108 -3.835 1.00 0.00 H new ATOM 0 HZ PHE A 75 25.317 -1.701 -5.245 1.00 0.00 H new ATOM 1116 N GLU A 76 27.692 3.840 0.514 1.00 0.00 N ATOM 1117 CA GLU A 76 28.157 4.578 1.709 1.00 0.00 C ATOM 1118 C GLU A 76 27.417 5.934 1.831 1.00 0.00 C ATOM 1119 O GLU A 76 27.242 6.467 2.932 1.00 0.00 O ATOM 1120 CB GLU A 76 29.693 4.784 1.640 1.00 0.00 C ATOM 1121 CG GLU A 76 30.309 5.412 2.907 1.00 0.00 C ATOM 1122 CD GLU A 76 31.802 5.747 2.769 1.00 0.00 C ATOM 1123 OE1 GLU A 76 32.655 4.887 3.078 1.00 0.00 O ATOM 1124 OE2 GLU A 76 32.128 6.883 2.352 1.00 0.00 O ATOM 0 H GLU A 76 28.421 3.691 -0.183 1.00 0.00 H new ATOM 0 HA GLU A 76 27.929 3.992 2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 76 30.169 3.820 1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 76 29.924 5.419 0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 76 29.763 6.323 3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 76 30.176 4.726 3.743 1.00 0.00 H new ATOM 1131 N SER A 77 26.987 6.458 0.669 1.00 0.00 N ATOM 1132 CA SER A 77 26.132 7.654 0.569 1.00 0.00 C ATOM 1133 C SER A 77 24.752 7.425 1.237 1.00 0.00 C ATOM 1134 O SER A 77 24.168 8.347 1.822 1.00 0.00 O ATOM 1135 CB SER A 77 25.966 8.018 -0.926 1.00 0.00 C ATOM 1136 OG SER A 77 25.164 9.176 -1.108 1.00 0.00 O ATOM 0 H SER A 77 27.227 6.058 -0.238 1.00 0.00 H new ATOM 0 HA SER A 77 26.607 8.478 1.101 1.00 0.00 H new ATOM 0 HB2 SER A 77 26.948 8.184 -1.369 1.00 0.00 H new ATOM 0 HB3 SER A 77 25.515 7.178 -1.455 1.00 0.00 H new ATOM 0 HG SER A 77 25.085 9.372 -2.065 1.00 0.00 H new ATOM 1142 N ARG A 78 24.253 6.182 1.130 1.00 0.00 N ATOM 1143 CA ARG A 78 22.956 5.752 1.697 1.00 0.00 C ATOM 1144 C ARG A 78 23.131 5.095 3.084 1.00 0.00 C ATOM 1145 O ARG A 78 24.235 5.079 3.640 1.00 0.00 O ATOM 1146 CB ARG A 78 22.283 4.765 0.705 1.00 0.00 C ATOM 1147 CG ARG A 78 21.889 5.386 -0.652 1.00 0.00 C ATOM 1148 CD ARG A 78 20.717 6.370 -0.540 1.00 0.00 C ATOM 1149 NE ARG A 78 20.425 7.027 -1.828 1.00 0.00 N ATOM 1150 CZ ARG A 78 19.211 7.410 -2.247 1.00 0.00 C ATOM 1151 NH1 ARG A 78 18.113 7.115 -1.545 1.00 0.00 N ATOM 1152 NH2 ARG A 78 19.091 8.080 -3.384 1.00 0.00 N ATOM 0 H ARG A 78 24.744 5.434 0.641 1.00 0.00 H new ATOM 0 HA ARG A 78 22.323 6.628 1.838 1.00 0.00 H new ATOM 0 HB2 ARG A 78 22.962 3.932 0.525 1.00 0.00 H new ATOM 0 HB3 ARG A 78 21.390 4.352 1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 78 22.751 5.902 -1.074 1.00 0.00 H new ATOM 0 HG3 ARG A 78 21.623 4.589 -1.347 1.00 0.00 H new ATOM 0 HD2 ARG A 78 19.830 5.840 -0.194 1.00 0.00 H new ATOM 0 HD3 ARG A 78 20.949 7.127 0.209 1.00 0.00 H new ATOM 0 HE ARG A 78 21.212 7.205 -2.452 1.00 0.00 H new ATOM 0 HH11 ARG A 78 18.190 6.590 -0.674 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.198 7.415 -1.880 1.00 0.00 H new ATOM 0 HH21 ARG A 78 19.920 8.302 -3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.170 8.374 -3.708 1.00 0.00 H new ATOM 1166 N ASP A 79 22.013 4.589 3.655 1.00 0.00 N ATOM 1167 CA ASP A 79 22.017 3.813 4.914 1.00 0.00 C ATOM 1168 C ASP A 79 22.075 2.307 4.599 1.00 0.00 C ATOM 1169 O ASP A 79 21.189 1.770 3.922 1.00 0.00 O ATOM 1170 CB ASP A 79 20.767 4.144 5.776 1.00 0.00 C ATOM 1171 CG ASP A 79 20.791 5.577 6.340 1.00 0.00 C ATOM 1172 OD1 ASP A 79 21.476 5.812 7.358 1.00 0.00 O ATOM 1173 OD2 ASP A 79 20.144 6.478 5.768 1.00 0.00 O ATOM 0 H ASP A 79 21.083 4.708 3.254 1.00 0.00 H new ATOM 0 HA ASP A 79 22.901 4.089 5.490 1.00 0.00 H new ATOM 0 HB2 ASP A 79 19.870 4.012 5.172 1.00 0.00 H new ATOM 0 HB3 ASP A 79 20.703 3.435 6.601 1.00 0.00 H new ATOM 1178 N VAL A 80 23.134 1.636 5.093 1.00 0.00 N ATOM 1179 CA VAL A 80 23.425 0.211 4.807 1.00 0.00 C ATOM 1180 C VAL A 80 23.699 -0.553 6.119 1.00 0.00 C ATOM 1181 O VAL A 80 24.228 0.022 7.074 1.00 0.00 O ATOM 1182 CB VAL A 80 24.683 0.064 3.861 1.00 0.00 C ATOM 1183 CG1 VAL A 80 24.979 -1.412 3.522 1.00 0.00 C ATOM 1184 CG2 VAL A 80 24.521 0.895 2.573 1.00 0.00 C ATOM 0 H VAL A 80 23.821 2.070 5.709 1.00 0.00 H new ATOM 0 HA VAL A 80 22.552 -0.208 4.307 1.00 0.00 H new ATOM 0 HB VAL A 80 25.538 0.455 4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 80 25.851 -1.468 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.177 -1.964 4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 80 24.118 -1.849 3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 80 25.404 0.770 1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 80 23.639 0.556 2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.405 1.948 2.831 1.00 0.00 H new ATOM 1194 N TYR A 81 23.338 -1.854 6.142 1.00 0.00 N ATOM 1195 CA TYR A 81 23.648 -2.775 7.247 1.00 0.00 C ATOM 1196 C TYR A 81 24.743 -3.764 6.796 1.00 0.00 C ATOM 1197 O TYR A 81 24.448 -4.802 6.192 1.00 0.00 O ATOM 1198 CB TYR A 81 22.357 -3.510 7.708 1.00 0.00 C ATOM 1199 CG TYR A 81 21.310 -2.552 8.308 1.00 0.00 C ATOM 1200 CD1 TYR A 81 21.348 -2.209 9.661 1.00 0.00 C ATOM 1201 CD2 TYR A 81 20.324 -1.957 7.514 1.00 0.00 C ATOM 1202 CE1 TYR A 81 20.440 -1.324 10.199 1.00 0.00 C ATOM 1203 CE2 TYR A 81 19.418 -1.064 8.051 1.00 0.00 C ATOM 1204 CZ TYR A 81 19.480 -0.752 9.392 1.00 0.00 C ATOM 1205 OH TYR A 81 18.575 0.136 9.929 1.00 0.00 O ATOM 0 H TYR A 81 22.818 -2.295 5.384 1.00 0.00 H new ATOM 0 HA TYR A 81 24.027 -2.216 8.103 1.00 0.00 H new ATOM 0 HB2 TYR A 81 21.919 -4.034 6.859 1.00 0.00 H new ATOM 0 HB3 TYR A 81 22.619 -4.266 8.449 1.00 0.00 H new ATOM 0 HD1 TYR A 81 22.103 -2.646 10.297 1.00 0.00 H new ATOM 0 HD2 TYR A 81 20.270 -2.200 6.463 1.00 0.00 H new ATOM 0 HE1 TYR A 81 20.480 -1.079 11.250 1.00 0.00 H new ATOM 0 HE2 TYR A 81 18.664 -0.612 7.423 1.00 0.00 H new ATOM 0 HH TYR A 81 17.967 0.448 9.227 1.00 0.00 H new ATOM 1215 N GLU A 82 26.014 -3.382 7.040 1.00 0.00 N ATOM 1216 CA GLU A 82 27.190 -4.213 6.713 1.00 0.00 C ATOM 1217 C GLU A 82 27.336 -5.359 7.731 1.00 0.00 C ATOM 1218 O GLU A 82 27.605 -5.129 8.917 1.00 0.00 O ATOM 1219 CB GLU A 82 28.482 -3.361 6.691 1.00 0.00 C ATOM 1220 CG GLU A 82 28.508 -2.249 5.625 1.00 0.00 C ATOM 1221 CD GLU A 82 29.693 -1.290 5.822 1.00 0.00 C ATOM 1222 OE1 GLU A 82 30.782 -1.534 5.262 1.00 0.00 O ATOM 1223 OE2 GLU A 82 29.551 -0.310 6.588 1.00 0.00 O ATOM 0 H GLU A 82 26.253 -2.488 7.469 1.00 0.00 H new ATOM 0 HA GLU A 82 27.038 -4.635 5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 82 28.617 -2.906 7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 82 29.333 -4.022 6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 82 28.566 -2.698 4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.575 -1.686 5.665 1.00 0.00 H new ATOM 1230 N ILE A 83 27.109 -6.578 7.253 1.00 0.00 N ATOM 1231 CA ILE A 83 27.291 -7.823 8.021 1.00 0.00 C ATOM 1232 C ILE A 83 28.347 -8.698 7.322 1.00 0.00 C ATOM 1233 O ILE A 83 28.952 -8.286 6.320 1.00 0.00 O ATOM 1234 CB ILE A 83 25.942 -8.632 8.129 1.00 0.00 C ATOM 1235 CG1 ILE A 83 25.402 -8.957 6.702 1.00 0.00 C ATOM 1236 CG2 ILE A 83 24.875 -7.883 8.973 1.00 0.00 C ATOM 1237 CD1 ILE A 83 24.238 -9.908 6.673 1.00 0.00 C ATOM 0 H ILE A 83 26.786 -6.741 6.299 1.00 0.00 H new ATOM 0 HA ILE A 83 27.616 -7.560 9.028 1.00 0.00 H new ATOM 0 HB ILE A 83 26.153 -9.566 8.651 1.00 0.00 H new ATOM 0 HG12 ILE A 83 25.105 -8.026 6.220 1.00 0.00 H new ATOM 0 HG13 ILE A 83 26.213 -9.379 6.109 1.00 0.00 H new ATOM 0 HG21 ILE A 83 23.963 -8.479 9.019 1.00 0.00 H new ATOM 0 HG22 ILE A 83 25.256 -7.723 9.982 1.00 0.00 H new ATOM 0 HG23 ILE A 83 24.656 -6.920 8.511 1.00 0.00 H new ATOM 0 HD11 ILE A 83 23.930 -10.075 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 83 24.532 -10.857 7.122 1.00 0.00 H new ATOM 0 HD13 ILE A 83 23.407 -9.483 7.235 1.00 0.00 H new ATOM 1249 N THR A 84 28.559 -9.912 7.851 1.00 0.00 N ATOM 1250 CA THR A 84 29.347 -10.934 7.164 1.00 0.00 C ATOM 1251 C THR A 84 28.469 -11.675 6.152 1.00 0.00 C ATOM 1252 O THR A 84 27.261 -11.841 6.364 1.00 0.00 O ATOM 1253 CB THR A 84 30.001 -11.946 8.156 1.00 0.00 C ATOM 1254 OG1 THR A 84 29.027 -12.436 9.093 1.00 0.00 O ATOM 1255 CG2 THR A 84 31.172 -11.303 8.906 1.00 0.00 C ATOM 0 H THR A 84 28.192 -10.206 8.756 1.00 0.00 H new ATOM 0 HA THR A 84 30.159 -10.426 6.643 1.00 0.00 H new ATOM 0 HB THR A 84 30.384 -12.784 7.573 1.00 0.00 H new ATOM 0 HG1 THR A 84 29.453 -13.070 9.706 1.00 0.00 H new ATOM 0 HG21 THR A 84 31.609 -12.030 9.590 1.00 0.00 H new ATOM 0 HG22 THR A 84 31.928 -10.978 8.191 1.00 0.00 H new ATOM 0 HG23 THR A 84 30.814 -10.443 9.471 1.00 0.00 H new ATOM 1263 N LEU A 85 29.099 -12.113 5.054 1.00 0.00 N ATOM 1264 CA LEU A 85 28.431 -12.872 3.972 1.00 0.00 C ATOM 1265 C LEU A 85 27.876 -14.222 4.486 1.00 0.00 C ATOM 1266 O LEU A 85 26.893 -14.743 3.954 1.00 0.00 O ATOM 1267 CB LEU A 85 29.435 -13.043 2.793 1.00 0.00 C ATOM 1268 CG LEU A 85 28.828 -13.444 1.401 1.00 0.00 C ATOM 1269 CD1 LEU A 85 29.623 -12.823 0.239 1.00 0.00 C ATOM 1270 CD2 LEU A 85 28.737 -14.967 1.233 1.00 0.00 C ATOM 0 H LEU A 85 30.092 -11.953 4.884 1.00 0.00 H new ATOM 0 HA LEU A 85 27.563 -12.319 3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 85 29.978 -12.106 2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.166 -13.800 3.076 1.00 0.00 H new ATOM 0 HG LEU A 85 27.815 -13.044 1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 85 29.175 -13.121 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 85 29.603 -11.736 0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.655 -13.171 0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.312 -15.201 0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 85 29.734 -15.402 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.101 -15.382 2.015 1.00 0.00 H new ATOM 1282 N GLN A 86 28.515 -14.748 5.546 1.00 0.00 N ATOM 1283 CA GLN A 86 28.088 -15.975 6.231 1.00 0.00 C ATOM 1284 C GLN A 86 26.733 -15.771 6.950 1.00 0.00 C ATOM 1285 O GLN A 86 25.874 -16.657 6.904 1.00 0.00 O ATOM 1286 CB GLN A 86 29.190 -16.414 7.232 1.00 0.00 C ATOM 1287 CG GLN A 86 28.875 -17.703 8.017 1.00 0.00 C ATOM 1288 CD GLN A 86 30.076 -18.262 8.787 1.00 0.00 C ATOM 1289 OE1 GLN A 86 30.312 -17.917 9.945 1.00 0.00 O ATOM 1290 NE2 GLN A 86 30.836 -19.136 8.144 1.00 0.00 N ATOM 0 H GLN A 86 29.350 -14.327 5.953 1.00 0.00 H new ATOM 0 HA GLN A 86 27.944 -16.762 5.491 1.00 0.00 H new ATOM 0 HB2 GLN A 86 30.122 -16.557 6.685 1.00 0.00 H new ATOM 0 HB3 GLN A 86 29.359 -15.605 7.943 1.00 0.00 H new ATOM 0 HG2 GLN A 86 28.066 -17.502 8.719 1.00 0.00 H new ATOM 0 HG3 GLN A 86 28.514 -18.462 7.323 1.00 0.00 H new ATOM 0 HE21 GLN A 86 30.611 -19.399 7.185 1.00 0.00 H new ATOM 0 HE22 GLN A 86 31.646 -19.546 8.608 1.00 0.00 H new ATOM 1299 N ASP A 87 26.554 -14.589 7.590 1.00 0.00 N ATOM 1300 CA ASP A 87 25.300 -14.223 8.300 1.00 0.00 C ATOM 1301 C ASP A 87 24.104 -14.184 7.328 1.00 0.00 C ATOM 1302 O ASP A 87 22.977 -14.464 7.712 1.00 0.00 O ATOM 1303 CB ASP A 87 25.445 -12.854 9.021 1.00 0.00 C ATOM 1304 CG ASP A 87 24.316 -12.574 10.038 1.00 0.00 C ATOM 1305 OD1 ASP A 87 24.253 -13.281 11.067 1.00 0.00 O ATOM 1306 OD2 ASP A 87 23.503 -11.650 9.824 1.00 0.00 O ATOM 0 H ASP A 87 27.271 -13.864 7.629 1.00 0.00 H new ATOM 0 HA ASP A 87 25.113 -14.992 9.050 1.00 0.00 H new ATOM 0 HB2 ASP A 87 26.405 -12.823 9.537 1.00 0.00 H new ATOM 0 HB3 ASP A 87 25.458 -12.059 8.276 1.00 0.00 H new ATOM 1311 N ALA A 88 24.388 -13.855 6.060 1.00 0.00 N ATOM 1312 CA ALA A 88 23.378 -13.792 4.983 1.00 0.00 C ATOM 1313 C ALA A 88 22.851 -15.175 4.573 1.00 0.00 C ATOM 1314 O ALA A 88 21.802 -15.274 3.940 1.00 0.00 O ATOM 1315 CB ALA A 88 23.980 -13.084 3.782 1.00 0.00 C ATOM 0 H ALA A 88 25.330 -13.623 5.746 1.00 0.00 H new ATOM 0 HA ALA A 88 22.521 -13.237 5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.242 -13.033 2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 88 24.278 -12.075 4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 88 24.854 -13.636 3.435 1.00 0.00 H new ATOM 1321 N ILE A 89 23.597 -16.227 4.922 1.00 0.00 N ATOM 1322 CA ILE A 89 23.244 -17.621 4.593 1.00 0.00 C ATOM 1323 C ILE A 89 22.508 -18.285 5.780 1.00 0.00 C ATOM 1324 O ILE A 89 21.533 -19.018 5.589 1.00 0.00 O ATOM 1325 CB ILE A 89 24.553 -18.425 4.226 1.00 0.00 C ATOM 1326 CG1 ILE A 89 25.317 -17.712 3.056 1.00 0.00 C ATOM 1327 CG2 ILE A 89 24.244 -19.901 3.861 1.00 0.00 C ATOM 1328 CD1 ILE A 89 26.717 -18.237 2.786 1.00 0.00 C ATOM 0 H ILE A 89 24.469 -16.140 5.444 1.00 0.00 H new ATOM 0 HA ILE A 89 22.573 -17.628 3.734 1.00 0.00 H new ATOM 0 HB ILE A 89 25.191 -18.439 5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 89 24.727 -17.810 2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 89 25.382 -16.647 3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 89 25.172 -20.417 3.615 1.00 0.00 H new ATOM 0 HG22 ILE A 89 23.768 -20.394 4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 89 23.574 -19.931 3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 89 27.161 -17.681 1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.330 -18.114 3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 89 26.665 -19.294 2.525 1.00 0.00 H new ATOM 1340 N LYS A 90 22.985 -18.005 7.007 1.00 0.00 N ATOM 1341 CA LYS A 90 22.466 -18.640 8.246 1.00 0.00 C ATOM 1342 C LYS A 90 21.283 -17.864 8.850 1.00 0.00 C ATOM 1343 O LYS A 90 20.400 -18.458 9.474 1.00 0.00 O ATOM 1344 CB LYS A 90 23.598 -18.773 9.307 1.00 0.00 C ATOM 1345 CG LYS A 90 24.327 -17.452 9.659 1.00 0.00 C ATOM 1346 CD LYS A 90 25.353 -17.597 10.809 1.00 0.00 C ATOM 1347 CE LYS A 90 26.391 -18.694 10.538 1.00 0.00 C ATOM 1348 NZ LYS A 90 27.466 -18.730 11.565 1.00 0.00 N ATOM 0 H LYS A 90 23.737 -17.337 7.174 1.00 0.00 H new ATOM 0 HA LYS A 90 22.107 -19.630 7.965 1.00 0.00 H new ATOM 0 HB2 LYS A 90 23.172 -19.189 10.220 1.00 0.00 H new ATOM 0 HB3 LYS A 90 24.334 -19.490 8.943 1.00 0.00 H new ATOM 0 HG2 LYS A 90 24.839 -17.082 8.771 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.587 -16.701 9.936 1.00 0.00 H new ATOM 0 HD2 LYS A 90 25.865 -16.646 10.957 1.00 0.00 H new ATOM 0 HD3 LYS A 90 24.825 -17.822 11.736 1.00 0.00 H new ATOM 0 HE2 LYS A 90 25.891 -19.662 10.506 1.00 0.00 H new ATOM 0 HE3 LYS A 90 26.837 -18.533 9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 28.372 -18.466 11.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 27.241 -18.059 12.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 27.538 -19.690 11.959 1.00 0.00 H new ATOM 1362 N ASN A 91 21.277 -16.540 8.664 1.00 0.00 N ATOM 1363 CA ASN A 91 20.326 -15.626 9.340 1.00 0.00 C ATOM 1364 C ASN A 91 19.597 -14.753 8.300 1.00 0.00 C ATOM 1365 O ASN A 91 19.129 -13.678 8.635 1.00 0.00 O ATOM 1366 CB ASN A 91 21.117 -14.743 10.355 1.00 0.00 C ATOM 1367 CG ASN A 91 20.241 -14.080 11.428 1.00 0.00 C ATOM 1368 OD1 ASN A 91 19.831 -12.843 11.197 1.00 0.00 O flip ATOM 1369 ND2 ASN A 91 19.952 -14.678 12.468 1.00 0.00 N flip ATOM 0 H ASN A 91 21.929 -16.063 8.041 1.00 0.00 H new ATOM 0 HA ASN A 91 19.572 -16.202 9.877 1.00 0.00 H new ATOM 0 HB2 ASN A 91 21.870 -15.360 10.846 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.650 -13.967 9.806 1.00 0.00 H new ATOM 0 HD21 ASN A 91 20.283 -15.631 12.617 1.00 0.00 H new ATOM 0 HD22 ASN A 91 19.382 -14.219 13.179 1.00 0.00 H new ATOM 1376 N ALA A 92 19.465 -15.261 7.059 1.00 0.00 N ATOM 1377 CA ALA A 92 18.901 -14.504 5.911 1.00 0.00 C ATOM 1378 C ALA A 92 17.560 -13.811 6.244 1.00 0.00 C ATOM 1379 O ALA A 92 17.459 -12.570 6.208 1.00 0.00 O ATOM 1380 CB ALA A 92 18.727 -15.440 4.713 1.00 0.00 C ATOM 0 H ALA A 92 19.746 -16.211 6.818 1.00 0.00 H new ATOM 0 HA ALA A 92 19.610 -13.712 5.670 1.00 0.00 H new ATOM 0 HB1 ALA A 92 18.313 -14.882 3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.695 -15.855 4.432 1.00 0.00 H new ATOM 0 HB3 ALA A 92 18.049 -16.250 4.980 1.00 0.00 H new ATOM 1386 N ALA A 93 16.556 -14.635 6.601 1.00 0.00 N ATOM 1387 CA ALA A 93 15.223 -14.156 6.997 1.00 0.00 C ATOM 1388 C ALA A 93 15.315 -13.231 8.210 1.00 0.00 C ATOM 1389 O ALA A 93 14.644 -12.202 8.249 1.00 0.00 O ATOM 1390 CB ALA A 93 14.287 -15.342 7.274 1.00 0.00 C ATOM 0 H ALA A 93 16.649 -15.651 6.622 1.00 0.00 H new ATOM 0 HA ALA A 93 14.805 -13.579 6.172 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.305 -14.970 7.566 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.192 -15.949 6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.699 -15.950 8.080 1.00 0.00 H new ATOM 1396 N GLY A 94 16.205 -13.611 9.156 1.00 0.00 N ATOM 1397 CA GLY A 94 16.456 -12.858 10.385 1.00 0.00 C ATOM 1398 C GLY A 94 16.860 -11.412 10.125 1.00 0.00 C ATOM 1399 O GLY A 94 16.290 -10.500 10.708 1.00 0.00 O ATOM 0 H GLY A 94 16.769 -14.458 9.077 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.559 -12.873 11.004 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.243 -13.353 10.953 1.00 0.00 H new ATOM 1403 N ILE A 95 17.807 -11.223 9.197 1.00 0.00 N ATOM 1404 CA ILE A 95 18.331 -9.901 8.810 1.00 0.00 C ATOM 1405 C ILE A 95 17.187 -9.008 8.305 1.00 0.00 C ATOM 1406 O ILE A 95 16.942 -7.932 8.858 1.00 0.00 O ATOM 1407 CB ILE A 95 19.420 -10.047 7.680 1.00 0.00 C ATOM 1408 CG1 ILE A 95 20.624 -10.914 8.150 1.00 0.00 C ATOM 1409 CG2 ILE A 95 19.912 -8.662 7.174 1.00 0.00 C ATOM 1410 CD1 ILE A 95 21.341 -11.615 7.030 1.00 0.00 C ATOM 0 H ILE A 95 18.238 -11.993 8.685 1.00 0.00 H new ATOM 0 HA ILE A 95 18.789 -9.444 9.687 1.00 0.00 H new ATOM 0 HB ILE A 95 18.940 -10.560 6.846 1.00 0.00 H new ATOM 0 HG12 ILE A 95 21.333 -10.278 8.681 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.268 -11.658 8.863 1.00 0.00 H new ATOM 0 HG21 ILE A 95 20.662 -8.804 6.396 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.069 -8.103 6.768 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.350 -8.106 8.003 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.167 -12.199 7.436 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.648 -12.278 6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.729 -10.877 6.328 1.00 0.00 H new ATOM 1422 N ILE A 96 16.476 -9.505 7.269 1.00 0.00 N ATOM 1423 CA ILE A 96 15.395 -8.757 6.595 1.00 0.00 C ATOM 1424 C ILE A 96 14.286 -8.332 7.600 1.00 0.00 C ATOM 1425 O ILE A 96 13.935 -7.149 7.653 1.00 0.00 O ATOM 1426 CB ILE A 96 14.797 -9.589 5.380 1.00 0.00 C ATOM 1427 CG1 ILE A 96 15.703 -9.451 4.105 1.00 0.00 C ATOM 1428 CG2 ILE A 96 13.338 -9.194 5.031 1.00 0.00 C ATOM 1429 CD1 ILE A 96 17.040 -10.165 4.138 1.00 0.00 C ATOM 0 H ILE A 96 16.636 -10.434 6.878 1.00 0.00 H new ATOM 0 HA ILE A 96 15.827 -7.843 6.187 1.00 0.00 H new ATOM 0 HB ILE A 96 14.782 -10.629 5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 96 15.141 -9.821 3.247 1.00 0.00 H new ATOM 0 HG13 ILE A 96 15.888 -8.391 3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 96 12.988 -9.798 4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.697 -9.367 5.896 1.00 0.00 H new ATOM 0 HG23 ILE A 96 13.302 -8.139 4.758 1.00 0.00 H new ATOM 0 HD11 ILE A 96 17.568 -9.992 3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 96 17.636 -9.783 4.967 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.878 -11.235 4.271 1.00 0.00 H new ATOM 1441 N LYS A 97 13.777 -9.298 8.411 1.00 0.00 N ATOM 1442 CA LYS A 97 12.661 -9.039 9.369 1.00 0.00 C ATOM 1443 C LYS A 97 13.071 -8.060 10.485 1.00 0.00 C ATOM 1444 O LYS A 97 12.226 -7.337 11.020 1.00 0.00 O ATOM 1445 CB LYS A 97 12.080 -10.367 9.964 1.00 0.00 C ATOM 1446 CG LYS A 97 13.071 -11.296 10.735 1.00 0.00 C ATOM 1447 CD LYS A 97 13.354 -10.908 12.211 1.00 0.00 C ATOM 1448 CE LYS A 97 12.139 -11.066 13.131 1.00 0.00 C ATOM 1449 NZ LYS A 97 12.483 -10.714 14.533 1.00 0.00 N ATOM 0 H LYS A 97 14.118 -10.259 8.423 1.00 0.00 H new ATOM 0 HA LYS A 97 11.866 -8.562 8.796 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.265 -10.107 10.640 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.645 -10.942 9.147 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.676 -12.312 10.716 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.018 -11.312 10.196 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.169 -11.525 12.590 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.694 -9.873 12.247 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.328 -10.428 12.781 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.777 -12.093 13.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.917 -11.293 15.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.494 -10.895 14.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.280 -9.708 14.698 1.00 0.00 H new ATOM 1463 N GLU A 98 14.377 -8.071 10.834 1.00 0.00 N ATOM 1464 CA GLU A 98 14.957 -7.167 11.846 1.00 0.00 C ATOM 1465 C GLU A 98 14.914 -5.723 11.351 1.00 0.00 C ATOM 1466 O GLU A 98 14.618 -4.807 12.125 1.00 0.00 O ATOM 1467 CB GLU A 98 16.418 -7.588 12.202 1.00 0.00 C ATOM 1468 CG GLU A 98 16.535 -8.774 13.181 1.00 0.00 C ATOM 1469 CD GLU A 98 15.954 -8.475 14.571 1.00 0.00 C ATOM 1470 OE1 GLU A 98 16.663 -7.844 15.385 1.00 0.00 O ATOM 1471 OE2 GLU A 98 14.800 -8.871 14.859 1.00 0.00 O ATOM 0 H GLU A 98 15.057 -8.709 10.420 1.00 0.00 H new ATOM 0 HA GLU A 98 14.359 -7.241 12.755 1.00 0.00 H new ATOM 0 HB2 GLU A 98 16.941 -7.844 11.281 1.00 0.00 H new ATOM 0 HB3 GLU A 98 16.933 -6.729 12.632 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.021 -9.637 12.758 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.585 -9.048 13.285 1.00 0.00 H new ATOM 1478 N ILE A 99 15.167 -5.530 10.050 1.00 0.00 N ATOM 1479 CA ILE A 99 15.206 -4.183 9.460 1.00 0.00 C ATOM 1480 C ILE A 99 13.768 -3.684 9.247 1.00 0.00 C ATOM 1481 O ILE A 99 13.480 -2.502 9.428 1.00 0.00 O ATOM 1482 CB ILE A 99 16.020 -4.158 8.120 1.00 0.00 C ATOM 1483 CG1 ILE A 99 17.414 -4.860 8.311 1.00 0.00 C ATOM 1484 CG2 ILE A 99 16.204 -2.699 7.620 1.00 0.00 C ATOM 1485 CD1 ILE A 99 18.101 -5.273 7.022 1.00 0.00 C ATOM 0 H ILE A 99 15.347 -6.285 9.388 1.00 0.00 H new ATOM 0 HA ILE A 99 15.721 -3.514 10.149 1.00 0.00 H new ATOM 0 HB ILE A 99 15.459 -4.709 7.365 1.00 0.00 H new ATOM 0 HG12 ILE A 99 18.073 -4.185 8.857 1.00 0.00 H new ATOM 0 HG13 ILE A 99 17.277 -5.745 8.933 1.00 0.00 H new ATOM 0 HG21 ILE A 99 16.771 -2.702 6.689 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.227 -2.247 7.448 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.743 -2.122 8.371 1.00 0.00 H new ATOM 0 HD11 ILE A 99 19.054 -5.748 7.254 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.467 -5.976 6.481 1.00 0.00 H new ATOM 0 HD13 ILE A 99 18.275 -4.392 6.404 1.00 0.00 H new ATOM 1497 N GLU A 100 12.879 -4.631 8.919 1.00 0.00 N ATOM 1498 CA GLU A 100 11.441 -4.394 8.727 1.00 0.00 C ATOM 1499 C GLU A 100 10.774 -3.867 10.005 1.00 0.00 C ATOM 1500 O GLU A 100 10.012 -2.903 9.946 1.00 0.00 O ATOM 1501 CB GLU A 100 10.766 -5.714 8.254 1.00 0.00 C ATOM 1502 CG GLU A 100 11.035 -6.056 6.774 1.00 0.00 C ATOM 1503 CD GLU A 100 10.074 -5.324 5.808 1.00 0.00 C ATOM 1504 OE1 GLU A 100 10.236 -4.095 5.598 1.00 0.00 O ATOM 1505 OE2 GLU A 100 9.149 -5.965 5.257 1.00 0.00 O ATOM 0 H GLU A 100 13.145 -5.605 8.776 1.00 0.00 H new ATOM 0 HA GLU A 100 11.314 -3.625 7.965 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.120 -6.535 8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.690 -5.637 8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.063 -5.793 6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 100 10.938 -7.132 6.631 1.00 0.00 H new ATOM 1512 N GLU A 101 11.073 -4.500 11.155 1.00 0.00 N ATOM 1513 CA GLU A 101 10.466 -4.119 12.449 1.00 0.00 C ATOM 1514 C GLU A 101 11.068 -2.806 12.990 1.00 0.00 C ATOM 1515 O GLU A 101 10.363 -2.021 13.630 1.00 0.00 O ATOM 1516 CB GLU A 101 10.595 -5.266 13.480 1.00 0.00 C ATOM 1517 CG GLU A 101 12.031 -5.639 13.869 1.00 0.00 C ATOM 1518 CD GLU A 101 12.093 -6.790 14.881 1.00 0.00 C ATOM 1519 OE1 GLU A 101 11.798 -7.939 14.496 1.00 0.00 O ATOM 1520 OE2 GLU A 101 12.404 -6.549 16.072 1.00 0.00 O ATOM 0 H GLU A 101 11.731 -5.277 11.217 1.00 0.00 H new ATOM 0 HA GLU A 101 9.404 -3.942 12.278 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.053 -4.984 14.383 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.104 -6.152 13.077 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.584 -5.919 12.973 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.527 -4.764 14.289 1.00 0.00 H new ATOM 1527 N MET A 102 12.367 -2.567 12.709 1.00 0.00 N ATOM 1528 CA MET A 102 13.045 -1.309 13.084 1.00 0.00 C ATOM 1529 C MET A 102 12.445 -0.119 12.313 1.00 0.00 C ATOM 1530 O MET A 102 12.154 0.926 12.910 1.00 0.00 O ATOM 1531 CB MET A 102 14.577 -1.395 12.842 1.00 0.00 C ATOM 1532 CG MET A 102 15.340 -2.274 13.850 1.00 0.00 C ATOM 1533 SD MET A 102 17.141 -2.187 13.645 1.00 0.00 S ATOM 1534 CE MET A 102 17.362 -2.720 11.946 1.00 0.00 C ATOM 0 H MET A 102 12.968 -3.232 12.222 1.00 0.00 H new ATOM 0 HA MET A 102 12.884 -1.152 14.151 1.00 0.00 H new ATOM 0 HB2 MET A 102 14.751 -1.782 11.838 1.00 0.00 H new ATOM 0 HB3 MET A 102 14.993 -0.388 12.871 1.00 0.00 H new ATOM 0 HG2 MET A 102 15.080 -1.966 14.863 1.00 0.00 H new ATOM 0 HG3 MET A 102 15.017 -3.309 13.739 1.00 0.00 H new ATOM 0 HE1 MET A 102 18.426 -2.762 11.713 1.00 0.00 H new ATOM 0 HE2 MET A 102 16.923 -3.709 11.815 1.00 0.00 H new ATOM 0 HE3 MET A 102 16.872 -2.014 11.276 1.00 0.00 H new ATOM 1544 N ILE A 103 12.247 -0.300 10.993 1.00 0.00 N ATOM 1545 CA ILE A 103 11.609 0.718 10.132 1.00 0.00 C ATOM 1546 C ILE A 103 10.134 0.906 10.544 1.00 0.00 C ATOM 1547 O ILE A 103 9.644 2.031 10.617 1.00 0.00 O ATOM 1548 CB ILE A 103 11.740 0.367 8.596 1.00 0.00 C ATOM 1549 CG1 ILE A 103 13.253 0.377 8.172 1.00 0.00 C ATOM 1550 CG2 ILE A 103 10.898 1.322 7.698 1.00 0.00 C ATOM 1551 CD1 ILE A 103 13.520 0.132 6.693 1.00 0.00 C ATOM 0 H ILE A 103 12.521 -1.147 10.496 1.00 0.00 H new ATOM 0 HA ILE A 103 12.136 1.661 10.278 1.00 0.00 H new ATOM 0 HB ILE A 103 11.336 -0.634 8.447 1.00 0.00 H new ATOM 0 HG12 ILE A 103 13.683 1.340 8.446 1.00 0.00 H new ATOM 0 HG13 ILE A 103 13.779 -0.383 8.749 1.00 0.00 H new ATOM 0 HG21 ILE A 103 11.021 1.041 6.652 1.00 0.00 H new ATOM 0 HG22 ILE A 103 9.846 1.247 7.973 1.00 0.00 H new ATOM 0 HG23 ILE A 103 11.237 2.348 7.840 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.594 0.159 6.508 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.128 -0.845 6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.030 0.906 6.102 1.00 0.00 H new ATOM 1563 N ALA A 104 9.468 -0.208 10.888 1.00 0.00 N ATOM 1564 CA ALA A 104 8.071 -0.199 11.359 1.00 0.00 C ATOM 1565 C ALA A 104 7.942 0.511 12.725 1.00 0.00 C ATOM 1566 O ALA A 104 6.866 0.971 13.075 1.00 0.00 O ATOM 1567 CB ALA A 104 7.523 -1.635 11.445 1.00 0.00 C ATOM 0 H ALA A 104 9.881 -1.140 10.848 1.00 0.00 H new ATOM 0 HA ALA A 104 7.478 0.360 10.635 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.491 -1.610 11.794 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.562 -2.099 10.459 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.128 -2.214 12.142 1.00 0.00 H new ATOM 1573 N SER A 105 9.051 0.601 13.482 1.00 0.00 N ATOM 1574 CA SER A 105 9.060 1.220 14.824 1.00 0.00 C ATOM 1575 C SER A 105 9.328 2.736 14.737 1.00 0.00 C ATOM 1576 O SER A 105 8.743 3.520 15.492 1.00 0.00 O ATOM 1577 CB SER A 105 10.116 0.522 15.712 1.00 0.00 C ATOM 1578 OG SER A 105 10.153 1.068 17.021 1.00 0.00 O ATOM 0 H SER A 105 9.961 0.250 13.185 1.00 0.00 H new ATOM 0 HA SER A 105 8.076 1.089 15.275 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.894 -0.544 15.770 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.099 0.619 15.251 1.00 0.00 H new ATOM 0 HG SER A 105 10.831 0.600 17.552 1.00 0.00 H new ATOM 1584 N GLU A 106 10.221 3.146 13.815 1.00 0.00 N ATOM 1585 CA GLU A 106 10.565 4.575 13.623 1.00 0.00 C ATOM 1586 C GLU A 106 9.455 5.308 12.836 1.00 0.00 C ATOM 1587 O GLU A 106 9.290 6.521 12.970 1.00 0.00 O ATOM 1588 CB GLU A 106 11.947 4.722 12.932 1.00 0.00 C ATOM 1589 CG GLU A 106 12.044 4.081 11.539 1.00 0.00 C ATOM 1590 CD GLU A 106 13.457 4.144 10.924 1.00 0.00 C ATOM 1591 OE1 GLU A 106 13.889 5.243 10.514 1.00 0.00 O ATOM 1592 OE2 GLU A 106 14.140 3.098 10.842 1.00 0.00 O ATOM 0 H GLU A 106 10.718 2.511 13.191 1.00 0.00 H new ATOM 0 HA GLU A 106 10.636 5.045 14.604 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.183 5.783 12.845 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.707 4.278 13.574 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.733 3.039 11.606 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.344 4.580 10.870 1.00 0.00 H new ATOM 1599 N GLN A 107 8.692 4.550 12.023 1.00 0.00 N ATOM 1600 CA GLN A 107 7.518 5.078 11.297 1.00 0.00 C ATOM 1601 C GLN A 107 6.273 5.034 12.203 1.00 0.00 C ATOM 1602 O GLN A 107 5.551 6.027 12.332 1.00 0.00 O ATOM 1603 CB GLN A 107 7.272 4.282 9.983 1.00 0.00 C ATOM 1604 CG GLN A 107 8.431 4.344 8.953 1.00 0.00 C ATOM 1605 CD GLN A 107 8.665 5.720 8.299 1.00 0.00 C ATOM 1606 OE1 GLN A 107 8.411 6.779 8.877 1.00 0.00 O ATOM 1607 NE2 GLN A 107 9.159 5.711 7.070 1.00 0.00 N ATOM 0 H GLN A 107 8.870 3.560 11.851 1.00 0.00 H new ATOM 0 HA GLN A 107 7.717 6.115 11.026 1.00 0.00 H new ATOM 0 HB2 GLN A 107 7.087 3.238 10.237 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.365 4.660 9.511 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.351 4.036 9.449 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.234 3.616 8.166 1.00 0.00 H new ATOM 0 HE21 GLN A 107 9.363 4.824 6.609 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.336 6.591 6.585 1.00 0.00 H new ATOM 1616 N GLN A 108 6.022 3.864 12.815 1.00 0.00 N ATOM 1617 CA GLN A 108 4.900 3.665 13.755 1.00 0.00 C ATOM 1618 C GLN A 108 5.464 3.637 15.198 1.00 0.00 C ATOM 1619 O GLN A 108 5.604 4.710 15.810 1.00 0.00 O ATOM 1620 CB GLN A 108 4.127 2.347 13.414 1.00 0.00 C ATOM 1621 CG GLN A 108 3.669 2.204 11.949 1.00 0.00 C ATOM 1622 CD GLN A 108 2.676 3.285 11.510 1.00 0.00 C ATOM 1623 OE1 GLN A 108 1.463 3.124 11.655 1.00 0.00 O ATOM 1624 NE2 GLN A 108 3.174 4.373 10.945 1.00 0.00 N ATOM 1625 OXT GLN A 108 5.806 2.543 15.697 1.00 0.00 O ATOM 0 H GLN A 108 6.590 3.028 12.674 1.00 0.00 H new ATOM 0 HA GLN A 108 4.188 4.485 13.668 1.00 0.00 H new ATOM 0 HB2 GLN A 108 4.765 1.498 13.661 1.00 0.00 H new ATOM 0 HB3 GLN A 108 3.250 2.284 14.058 1.00 0.00 H new ATOM 0 HG2 GLN A 108 4.543 2.239 11.299 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.210 1.224 11.814 1.00 0.00 H new ATOM 0 HE21 GLN A 108 4.183 4.477 10.839 1.00 0.00 H new ATOM 0 HE22 GLN A 108 2.549 5.108 10.615 1.00 0.00 H new TER 1634 GLN A 108