USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 810 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 21 LYS NZ :NH3+ 131:sc= -2.15! (180deg=-0.904) USER MOD Set 1.2: A 85 MET CE :methyl -151:sc= -1.23 (180deg=-2.74!) USER MOD Single : A 12 LYS NZ :NH3+ 140:sc= -1.82 (180deg=-2.02!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -46:sc= -0.0832 USER MOD Single : A 31 ASN : amide:sc= -0.0711 K(o=-0.071,f=-2.2) USER MOD Single : A 36 THR OG1 : rot 17:sc= 0.896 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -122:sc= -1.18 (180deg=-3.26!) USER MOD Single : A 50 ASN : amide:sc= -6.1! C(o=-6.1!,f=-11!) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 57 THR OG1 : rot -45:sc= -2.63! USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= -2.02! (180deg=-2.42!) USER MOD Single : A 60 LYS NZ :NH3+ -162:sc= -0.066 (180deg=-0.57) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= -0.254 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -108:sc= -1.6 (180deg=-4.26!) USER MOD Single : A 79 SER OG : rot -35:sc= -0.804! USER MOD Single : A 80 ASN :FLIP amide:sc= -1.41 F(o=-2.8!,f=-1.4) USER MOD Single : A 82 THR OG1 : rot 152:sc= 0.511 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 167:sc= -4.6! (180deg=-5.46!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 150:sc= -0.443 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 -13.400 7.496 -13.165 1.00 3.54 N ATOM 2 CA PRO A 2 -12.986 6.254 -12.450 1.00 3.22 C ATOM 3 C PRO A 2 -13.300 6.295 -10.952 1.00 2.97 C ATOM 4 O PRO A 2 -13.307 5.274 -10.294 1.00 3.29 O ATOM 5 CB PRO A 2 -11.470 6.169 -12.664 1.00 2.98 C ATOM 6 CG PRO A 2 -11.047 7.519 -13.137 1.00 2.96 C ATOM 7 CD PRO A 2 -12.259 8.130 -13.841 1.00 3.44 C ATOM 0 HA PRO A 2 -13.529 5.391 -12.836 1.00 3.22 H new ATOM 0 HB2 PRO A 2 -10.959 5.902 -11.739 1.00 2.98 H new ATOM 0 HB3 PRO A 2 -11.222 5.402 -13.398 1.00 2.98 H new ATOM 0 HG2 PRO A 2 -10.729 8.141 -12.301 1.00 2.96 H new ATOM 0 HG3 PRO A 2 -10.199 7.444 -13.818 1.00 2.96 H new ATOM 0 HD2 PRO A 2 -12.281 9.215 -13.735 1.00 3.44 H new ATOM 0 HD3 PRO A 2 -12.254 7.914 -14.909 1.00 3.44 H new ATOM 17 N ALA A 3 -13.513 7.463 -10.395 1.00 2.90 N ATOM 18 CA ALA A 3 -13.761 7.545 -8.925 1.00 2.92 C ATOM 19 C ALA A 3 -12.680 6.722 -8.228 1.00 2.53 C ATOM 20 O ALA A 3 -11.737 6.299 -8.868 1.00 2.98 O ATOM 21 CB ALA A 3 -15.142 6.969 -8.599 1.00 3.57 C ATOM 0 H ALA A 3 -13.526 8.354 -10.891 1.00 2.90 H new ATOM 0 HA ALA A 3 -13.731 8.581 -8.588 1.00 2.92 H new ATOM 0 HB1 ALA A 3 -15.318 7.031 -7.525 1.00 3.57 H new ATOM 0 HB2 ALA A 3 -15.907 7.539 -9.126 1.00 3.57 H new ATOM 0 HB3 ALA A 3 -15.185 5.926 -8.914 1.00 3.57 H new ATOM 27 N ILE A 4 -12.778 6.490 -6.941 1.00 2.32 N ATOM 28 CA ILE A 4 -11.710 5.693 -6.268 1.00 2.33 C ATOM 29 C ILE A 4 -12.282 4.384 -5.727 1.00 1.75 C ATOM 30 O ILE A 4 -13.254 4.372 -4.998 1.00 2.20 O ATOM 31 CB ILE A 4 -11.156 6.513 -5.105 1.00 3.33 C ATOM 32 CG1 ILE A 4 -10.650 7.859 -5.637 1.00 4.20 C ATOM 33 CG2 ILE A 4 -10.002 5.752 -4.450 1.00 3.78 C ATOM 34 CD1 ILE A 4 -10.213 8.757 -4.475 1.00 5.43 C ATOM 0 H ILE A 4 -13.536 6.812 -6.339 1.00 2.32 H new ATOM 0 HA ILE A 4 -10.924 5.462 -6.987 1.00 2.33 H new ATOM 0 HB ILE A 4 -11.939 6.683 -4.366 1.00 3.33 H new ATOM 0 HG12 ILE A 4 -9.813 7.698 -6.317 1.00 4.20 H new ATOM 0 HG13 ILE A 4 -11.436 8.350 -6.210 1.00 4.20 H new ATOM 0 HG21 ILE A 4 -9.606 6.336 -3.620 1.00 3.78 H new ATOM 0 HG22 ILE A 4 -10.363 4.793 -4.079 1.00 3.78 H new ATOM 0 HG23 ILE A 4 -9.214 5.584 -5.184 1.00 3.78 H new ATOM 0 HD11 ILE A 4 -9.856 9.710 -4.866 1.00 5.43 H new ATOM 0 HD12 ILE A 4 -11.060 8.932 -3.812 1.00 5.43 H new ATOM 0 HD13 ILE A 4 -9.412 8.269 -3.920 1.00 5.43 H new ATOM 46 N GLU A 5 -11.680 3.285 -6.101 1.00 1.58 N ATOM 47 CA GLU A 5 -12.169 1.954 -5.643 1.00 1.64 C ATOM 48 C GLU A 5 -11.193 1.343 -4.629 1.00 1.26 C ATOM 49 O GLU A 5 -10.016 1.641 -4.608 1.00 1.71 O ATOM 50 CB GLU A 5 -12.333 1.029 -6.852 1.00 2.56 C ATOM 51 CG GLU A 5 -13.352 1.646 -7.811 1.00 3.25 C ATOM 52 CD GLU A 5 -13.593 0.703 -8.990 1.00 4.18 C ATOM 53 OE1 GLU A 5 -12.864 -0.265 -9.106 1.00 4.68 O ATOM 54 OE2 GLU A 5 -14.503 0.967 -9.758 1.00 4.72 O ATOM 0 H GLU A 5 -10.863 3.254 -6.710 1.00 1.58 H new ATOM 0 HA GLU A 5 -13.134 2.077 -5.152 1.00 1.64 H new ATOM 0 HB2 GLU A 5 -11.376 0.893 -7.355 1.00 2.56 H new ATOM 0 HB3 GLU A 5 -12.667 0.043 -6.530 1.00 2.56 H new ATOM 0 HG2 GLU A 5 -14.289 1.835 -7.288 1.00 3.25 H new ATOM 0 HG3 GLU A 5 -12.989 2.608 -8.172 1.00 3.25 H new ATOM 61 N VAL A 6 -11.700 0.481 -3.797 1.00 1.37 N ATOM 62 CA VAL A 6 -10.883 -0.195 -2.766 1.00 1.13 C ATOM 63 C VAL A 6 -9.837 -1.036 -3.457 1.00 0.99 C ATOM 64 O VAL A 6 -9.818 -1.152 -4.666 1.00 1.03 O ATOM 65 CB VAL A 6 -11.792 -1.093 -1.932 1.00 1.36 C ATOM 66 CG1 VAL A 6 -13.164 -0.445 -1.871 1.00 2.38 C ATOM 67 CG2 VAL A 6 -11.919 -2.478 -2.579 1.00 1.54 C ATOM 0 H VAL A 6 -12.684 0.211 -3.793 1.00 1.37 H new ATOM 0 HA VAL A 6 -10.399 0.537 -2.119 1.00 1.13 H new ATOM 0 HB VAL A 6 -11.372 -1.214 -0.934 1.00 1.36 H new ATOM 0 HG11 VAL A 6 -13.835 -1.068 -1.279 1.00 2.38 H new ATOM 0 HG12 VAL A 6 -13.081 0.539 -1.410 1.00 2.38 H new ATOM 0 HG13 VAL A 6 -13.562 -0.340 -2.880 1.00 2.38 H new ATOM 0 HG21 VAL A 6 -12.571 -3.105 -1.971 1.00 1.54 H new ATOM 0 HG22 VAL A 6 -12.343 -2.375 -3.578 1.00 1.54 H new ATOM 0 HG23 VAL A 6 -10.934 -2.939 -2.649 1.00 1.54 H new ATOM 77 N GLY A 7 -8.968 -1.635 -2.716 1.00 0.95 N ATOM 78 CA GLY A 7 -7.941 -2.469 -3.341 1.00 0.96 C ATOM 79 C GLY A 7 -6.873 -1.599 -3.978 1.00 0.91 C ATOM 80 O GLY A 7 -6.221 -0.811 -3.343 1.00 1.47 O ATOM 0 H GLY A 7 -8.928 -1.580 -1.698 1.00 0.95 H new ATOM 0 HA2 GLY A 7 -7.490 -3.123 -2.595 1.00 0.96 H new ATOM 0 HA3 GLY A 7 -8.394 -3.112 -4.096 1.00 0.96 H new ATOM 84 N ARG A 8 -6.727 -1.722 -5.233 1.00 0.62 N ATOM 85 CA ARG A 8 -5.710 -0.928 -5.976 1.00 0.60 C ATOM 86 C ARG A 8 -4.401 -0.830 -5.142 1.00 0.52 C ATOM 87 O ARG A 8 -4.247 -1.482 -4.108 1.00 0.57 O ATOM 88 CB ARG A 8 -6.269 0.496 -6.121 1.00 0.67 C ATOM 89 CG ARG A 8 -7.655 0.463 -6.787 1.00 1.19 C ATOM 90 CD ARG A 8 -8.241 1.879 -6.874 1.00 1.16 C ATOM 91 NE ARG A 8 -7.523 2.718 -7.877 1.00 1.98 N ATOM 92 CZ ARG A 8 -8.135 3.758 -8.397 1.00 2.55 C ATOM 93 NH1 ARG A 8 -9.364 4.030 -8.055 1.00 2.63 N ATOM 94 NH2 ARG A 8 -7.525 4.530 -9.252 1.00 3.56 N ATOM 0 H ARG A 8 -7.278 -2.355 -5.813 1.00 0.62 H new ATOM 0 HA ARG A 8 -5.500 -1.395 -6.938 1.00 0.60 H new ATOM 0 HB2 ARG A 8 -6.341 0.967 -5.141 1.00 0.67 H new ATOM 0 HB3 ARG A 8 -5.587 1.102 -6.717 1.00 0.67 H new ATOM 0 HG2 ARG A 8 -7.575 0.034 -7.786 1.00 1.19 H new ATOM 0 HG3 ARG A 8 -8.325 -0.180 -6.216 1.00 1.19 H new ATOM 0 HD2 ARG A 8 -9.296 1.819 -7.140 1.00 1.16 H new ATOM 0 HD3 ARG A 8 -8.185 2.356 -5.895 1.00 1.16 H new ATOM 0 HE ARG A 8 -6.569 2.487 -8.156 1.00 1.98 H new ATOM 0 HH11 ARG A 8 -9.850 3.435 -7.384 1.00 2.63 H new ATOM 0 HH12 ARG A 8 -9.839 4.837 -8.459 1.00 2.63 H new ATOM 0 HH21 ARG A 8 -6.563 4.330 -9.524 1.00 3.56 H new ATOM 0 HH22 ARG A 8 -8.010 5.335 -9.649 1.00 3.56 H new ATOM 108 N ILE A 9 -3.459 -0.015 -5.580 1.00 0.50 N ATOM 109 CA ILE A 9 -2.178 0.124 -4.794 1.00 0.51 C ATOM 110 C ILE A 9 -2.102 1.565 -4.362 1.00 0.41 C ATOM 111 O ILE A 9 -2.632 2.441 -5.025 1.00 0.39 O ATOM 112 CB ILE A 9 -0.907 -0.198 -5.604 1.00 0.64 C ATOM 113 CG1 ILE A 9 0.262 -0.438 -4.648 1.00 1.05 C ATOM 114 CG2 ILE A 9 -0.528 1.002 -6.463 1.00 0.92 C ATOM 115 CD1 ILE A 9 1.414 -1.092 -5.410 1.00 1.43 C ATOM 0 H ILE A 9 -3.518 0.548 -6.428 1.00 0.50 H new ATOM 0 HA ILE A 9 -2.207 -0.588 -3.969 1.00 0.51 H new ATOM 0 HB ILE A 9 -1.104 -1.077 -6.218 1.00 0.64 H new ATOM 0 HG12 ILE A 9 0.589 0.506 -4.212 1.00 1.05 H new ATOM 0 HG13 ILE A 9 -0.053 -1.078 -3.824 1.00 1.05 H new ATOM 0 HG21 ILE A 9 0.371 0.771 -7.034 1.00 0.92 H new ATOM 0 HG22 ILE A 9 -1.344 1.232 -7.148 1.00 0.92 H new ATOM 0 HG23 ILE A 9 -0.339 1.863 -5.822 1.00 0.92 H new ATOM 0 HD11 ILE A 9 2.249 -1.264 -4.730 1.00 1.43 H new ATOM 0 HD12 ILE A 9 1.082 -2.044 -5.825 1.00 1.43 H new ATOM 0 HD13 ILE A 9 1.734 -0.435 -6.219 1.00 1.43 H new ATOM 127 N CYS A 10 -1.525 1.827 -3.230 1.00 0.40 N ATOM 128 CA CYS A 10 -1.485 3.215 -2.706 1.00 0.35 C ATOM 129 C CYS A 10 -0.065 3.645 -2.334 1.00 0.35 C ATOM 130 O CYS A 10 0.806 2.840 -2.082 1.00 0.40 O ATOM 131 CB CYS A 10 -2.308 3.233 -1.419 1.00 0.36 C ATOM 132 SG CYS A 10 -1.835 1.804 -0.396 1.00 1.19 S ATOM 0 H CYS A 10 -1.073 1.131 -2.637 1.00 0.40 H new ATOM 0 HA CYS A 10 -1.865 3.888 -3.474 1.00 0.35 H new ATOM 0 HB2 CYS A 10 -2.135 4.161 -0.874 1.00 0.36 H new ATOM 0 HB3 CYS A 10 -3.372 3.194 -1.652 1.00 0.36 H new ATOM 137 N VAL A 11 0.137 4.930 -2.261 1.00 0.34 N ATOM 138 CA VAL A 11 1.463 5.495 -1.856 1.00 0.41 C ATOM 139 C VAL A 11 1.213 6.573 -0.789 1.00 0.41 C ATOM 140 O VAL A 11 0.205 7.245 -0.829 1.00 0.39 O ATOM 141 CB VAL A 11 2.197 6.071 -3.080 1.00 0.53 C ATOM 142 CG1 VAL A 11 1.423 7.248 -3.681 1.00 0.79 C ATOM 143 CG2 VAL A 11 3.587 6.552 -2.653 1.00 0.95 C ATOM 0 H VAL A 11 -0.574 5.631 -2.469 1.00 0.34 H new ATOM 0 HA VAL A 11 2.101 4.715 -1.441 1.00 0.41 H new ATOM 0 HB VAL A 11 2.280 5.288 -3.834 1.00 0.53 H new ATOM 0 HG11 VAL A 11 1.964 7.636 -4.544 1.00 0.79 H new ATOM 0 HG12 VAL A 11 0.434 6.912 -3.993 1.00 0.79 H new ATOM 0 HG13 VAL A 11 1.320 8.035 -2.934 1.00 0.79 H new ATOM 0 HG21 VAL A 11 4.112 6.961 -3.516 1.00 0.95 H new ATOM 0 HG22 VAL A 11 3.486 7.324 -1.890 1.00 0.95 H new ATOM 0 HG23 VAL A 11 4.154 5.714 -2.248 1.00 0.95 H new ATOM 153 N LYS A 12 2.069 6.748 0.192 1.00 0.50 N ATOM 154 CA LYS A 12 1.775 7.772 1.227 1.00 0.58 C ATOM 155 C LYS A 12 2.364 9.107 0.802 1.00 0.66 C ATOM 156 O LYS A 12 3.492 9.160 0.353 1.00 0.86 O ATOM 157 CB LYS A 12 2.478 7.318 2.506 1.00 0.77 C ATOM 158 CG LYS A 12 1.853 6.021 3.012 1.00 1.44 C ATOM 159 CD LYS A 12 2.493 5.645 4.347 1.00 1.81 C ATOM 160 CE LYS A 12 1.968 4.285 4.800 1.00 2.64 C ATOM 161 NZ LYS A 12 0.510 4.386 5.088 1.00 3.12 N ATOM 0 H LYS A 12 2.941 6.233 0.314 1.00 0.50 H new ATOM 0 HA LYS A 12 0.700 7.883 1.371 1.00 0.58 H new ATOM 0 HB2 LYS A 12 3.540 7.169 2.314 1.00 0.77 H new ATOM 0 HB3 LYS A 12 2.398 8.092 3.269 1.00 0.77 H new ATOM 0 HG2 LYS A 12 0.777 6.144 3.133 1.00 1.44 H new ATOM 0 HG3 LYS A 12 2.003 5.223 2.285 1.00 1.44 H new ATOM 0 HD2 LYS A 12 3.578 5.612 4.246 1.00 1.81 H new ATOM 0 HD3 LYS A 12 2.266 6.402 5.097 1.00 1.81 H new ATOM 0 HE2 LYS A 12 2.146 3.538 4.026 1.00 2.64 H new ATOM 0 HE3 LYS A 12 2.503 3.955 5.690 1.00 2.64 H new ATOM 0 HZ1 LYS A 12 0.028 3.532 4.742 1.00 3.12 H new ATOM 0 HZ2 LYS A 12 0.364 4.474 6.114 1.00 3.12 H new ATOM 0 HZ3 LYS A 12 0.119 5.223 4.610 1.00 3.12 H new ATOM 175 N VAL A 13 1.638 10.200 0.970 1.00 0.63 N ATOM 176 CA VAL A 13 2.239 11.509 0.597 1.00 0.80 C ATOM 177 C VAL A 13 2.206 12.490 1.749 1.00 0.93 C ATOM 178 O VAL A 13 1.167 12.875 2.247 1.00 0.88 O ATOM 179 CB VAL A 13 1.424 12.108 -0.525 1.00 0.82 C ATOM 180 CG1 VAL A 13 2.066 13.415 -0.993 1.00 1.69 C ATOM 181 CG2 VAL A 13 1.374 11.121 -1.670 1.00 1.27 C ATOM 0 H VAL A 13 0.687 10.232 1.338 1.00 0.63 H new ATOM 0 HA VAL A 13 3.275 11.332 0.308 1.00 0.80 H new ATOM 0 HB VAL A 13 0.414 12.320 -0.176 1.00 0.82 H new ATOM 0 HG11 VAL A 13 1.474 13.842 -1.802 1.00 1.69 H new ATOM 0 HG12 VAL A 13 2.106 14.119 -0.162 1.00 1.69 H new ATOM 0 HG13 VAL A 13 3.077 13.217 -1.349 1.00 1.69 H new ATOM 0 HG21 VAL A 13 0.788 11.541 -2.487 1.00 1.27 H new ATOM 0 HG22 VAL A 13 2.386 10.915 -2.018 1.00 1.27 H new ATOM 0 HG23 VAL A 13 0.911 10.194 -1.331 1.00 1.27 H new ATOM 191 N LYS A 14 3.351 12.941 2.113 1.00 1.19 N ATOM 192 CA LYS A 14 3.471 13.959 3.165 1.00 1.42 C ATOM 193 C LYS A 14 4.895 14.480 3.053 1.00 1.67 C ATOM 194 O LYS A 14 5.726 13.815 2.466 1.00 1.73 O ATOM 195 CB LYS A 14 3.192 13.355 4.536 1.00 1.43 C ATOM 196 CG LYS A 14 3.045 14.488 5.533 1.00 1.52 C ATOM 197 CD LYS A 14 2.828 13.918 6.935 1.00 1.56 C ATOM 198 CE LYS A 14 2.517 15.054 7.910 1.00 2.28 C ATOM 199 NZ LYS A 14 2.393 14.504 9.289 1.00 2.43 N ATOM 0 H LYS A 14 4.239 12.638 1.713 1.00 1.19 H new ATOM 0 HA LYS A 14 2.746 14.765 3.047 1.00 1.42 H new ATOM 0 HB2 LYS A 14 2.284 12.753 4.508 1.00 1.43 H new ATOM 0 HB3 LYS A 14 4.005 12.692 4.832 1.00 1.43 H new ATOM 0 HG2 LYS A 14 3.937 15.115 5.519 1.00 1.52 H new ATOM 0 HG3 LYS A 14 2.204 15.123 5.254 1.00 1.52 H new ATOM 0 HD2 LYS A 14 2.007 13.201 6.924 1.00 1.56 H new ATOM 0 HD3 LYS A 14 3.718 13.379 7.261 1.00 1.56 H new ATOM 0 HE2 LYS A 14 3.307 15.804 7.876 1.00 2.28 H new ATOM 0 HE3 LYS A 14 1.592 15.553 7.621 1.00 2.28 H new ATOM 0 HZ1 LYS A 14 2.181 15.276 9.953 1.00 2.43 H new ATOM 0 HZ2 LYS A 14 1.624 13.804 9.316 1.00 2.43 H new ATOM 0 HZ3 LYS A 14 3.287 14.048 9.562 1.00 2.43 H new ATOM 213 N GLY A 15 5.229 15.626 3.557 1.00 1.91 N ATOM 214 CA GLY A 15 6.635 16.072 3.384 1.00 2.20 C ATOM 215 C GLY A 15 7.492 15.467 4.496 1.00 2.22 C ATOM 216 O GLY A 15 7.016 14.720 5.329 1.00 2.26 O ATOM 0 H GLY A 15 4.613 16.259 4.067 1.00 1.91 H new ATOM 0 HA2 GLY A 15 7.011 15.762 2.409 1.00 2.20 H new ATOM 0 HA3 GLY A 15 6.691 17.160 3.416 1.00 2.20 H new ATOM 220 N ARG A 16 8.758 15.744 4.476 1.00 2.31 N ATOM 221 CA ARG A 16 9.680 15.149 5.485 1.00 2.37 C ATOM 222 C ARG A 16 9.387 13.644 5.648 1.00 2.28 C ATOM 223 O ARG A 16 8.548 13.238 6.425 1.00 2.27 O ATOM 224 CB ARG A 16 9.467 15.844 6.833 1.00 2.49 C ATOM 225 CG ARG A 16 9.847 17.322 6.720 1.00 2.87 C ATOM 226 CD ARG A 16 9.728 17.983 8.095 1.00 3.02 C ATOM 227 NE ARG A 16 9.886 19.458 7.955 1.00 3.63 N ATOM 228 CZ ARG A 16 11.078 19.986 7.891 1.00 4.15 C ATOM 229 NH1 ARG A 16 12.135 19.221 7.943 1.00 4.18 N ATOM 230 NH2 ARG A 16 11.214 21.278 7.773 1.00 4.93 N ATOM 0 H ARG A 16 9.203 16.363 3.799 1.00 2.31 H new ATOM 0 HA ARG A 16 10.708 15.283 5.150 1.00 2.37 H new ATOM 0 HB2 ARG A 16 8.426 15.749 7.141 1.00 2.49 H new ATOM 0 HB3 ARG A 16 10.072 15.361 7.601 1.00 2.49 H new ATOM 0 HG2 ARG A 16 10.866 17.419 6.344 1.00 2.87 H new ATOM 0 HG3 ARG A 16 9.194 17.823 6.005 1.00 2.87 H new ATOM 0 HD2 ARG A 16 8.760 17.751 8.539 1.00 3.02 H new ATOM 0 HD3 ARG A 16 10.490 17.588 8.767 1.00 3.02 H new ATOM 0 HE ARG A 16 9.061 20.056 7.909 1.00 3.63 H new ATOM 0 HH11 ARG A 16 12.029 18.211 8.034 1.00 4.18 H new ATOM 0 HH12 ARG A 16 13.066 19.634 7.893 1.00 4.18 H new ATOM 0 HH21 ARG A 16 10.389 21.876 7.731 1.00 4.93 H new ATOM 0 HH22 ARG A 16 12.146 21.690 7.723 1.00 4.93 H new ATOM 244 N GLU A 17 10.120 12.830 4.924 1.00 2.28 N ATOM 245 CA GLU A 17 9.984 11.337 4.991 1.00 2.23 C ATOM 246 C GLU A 17 8.521 10.873 5.059 1.00 1.93 C ATOM 247 O GLU A 17 7.841 11.048 6.050 1.00 2.50 O ATOM 248 CB GLU A 17 10.730 10.835 6.232 1.00 2.57 C ATOM 249 CG GLU A 17 10.751 9.302 6.256 1.00 2.68 C ATOM 250 CD GLU A 17 11.413 8.823 7.549 1.00 2.78 C ATOM 251 OE1 GLU A 17 11.786 9.667 8.347 1.00 3.13 O ATOM 252 OE2 GLU A 17 11.537 7.622 7.718 1.00 3.04 O ATOM 0 H GLU A 17 10.831 13.150 4.267 1.00 2.28 H new ATOM 0 HA GLU A 17 10.408 10.924 4.076 1.00 2.23 H new ATOM 0 HB2 GLU A 17 11.750 11.220 6.232 1.00 2.57 H new ATOM 0 HB3 GLU A 17 10.247 11.213 7.133 1.00 2.57 H new ATOM 0 HG2 GLU A 17 9.735 8.912 6.189 1.00 2.68 H new ATOM 0 HG3 GLU A 17 11.296 8.921 5.393 1.00 2.68 H new ATOM 259 N ALA A 18 8.041 10.267 4.000 1.00 1.46 N ATOM 260 CA ALA A 18 6.622 9.773 3.976 1.00 1.34 C ATOM 261 C ALA A 18 6.269 9.132 2.635 1.00 1.18 C ATOM 262 O ALA A 18 5.129 8.793 2.405 1.00 1.77 O ATOM 263 CB ALA A 18 5.685 10.941 4.236 1.00 1.78 C ATOM 0 H ALA A 18 8.571 10.091 3.146 1.00 1.46 H new ATOM 0 HA ALA A 18 6.514 9.013 4.750 1.00 1.34 H new ATOM 0 HB1 ALA A 18 4.653 10.590 4.220 1.00 1.78 H new ATOM 0 HB2 ALA A 18 5.906 11.375 5.211 1.00 1.78 H new ATOM 0 HB3 ALA A 18 5.823 11.697 3.463 1.00 1.78 H new ATOM 269 N GLY A 19 7.212 8.928 1.758 1.00 1.06 N ATOM 270 CA GLY A 19 6.872 8.273 0.475 1.00 1.02 C ATOM 271 C GLY A 19 7.082 6.777 0.652 1.00 0.78 C ATOM 272 O GLY A 19 8.196 6.311 0.783 1.00 0.90 O ATOM 0 H GLY A 19 8.192 9.185 1.876 1.00 1.06 H new ATOM 0 HA2 GLY A 19 5.839 8.485 0.199 1.00 1.02 H new ATOM 0 HA3 GLY A 19 7.501 8.655 -0.329 1.00 1.02 H new ATOM 276 N SER A 20 6.037 6.007 0.574 1.00 0.62 N ATOM 277 CA SER A 20 6.215 4.533 0.647 1.00 0.54 C ATOM 278 C SER A 20 5.070 3.886 -0.119 1.00 0.48 C ATOM 279 O SER A 20 3.994 4.441 -0.179 1.00 0.53 O ATOM 280 CB SER A 20 6.170 4.097 2.112 1.00 0.71 C ATOM 281 OG SER A 20 4.846 4.250 2.607 1.00 1.36 O ATOM 0 H SER A 20 5.076 6.330 0.464 1.00 0.62 H new ATOM 0 HA SER A 20 7.171 4.235 0.217 1.00 0.54 H new ATOM 0 HB2 SER A 20 6.487 3.058 2.204 1.00 0.71 H new ATOM 0 HB3 SER A 20 6.863 4.696 2.703 1.00 0.71 H new ATOM 0 HG SER A 20 4.495 5.125 2.338 1.00 1.36 H new ATOM 287 N LYS A 21 5.263 2.742 -0.722 1.00 0.45 N ATOM 288 CA LYS A 21 4.150 2.121 -1.490 1.00 0.44 C ATOM 289 C LYS A 21 3.401 1.117 -0.626 1.00 0.39 C ATOM 290 O LYS A 21 3.985 0.383 0.146 1.00 0.39 O ATOM 291 CB LYS A 21 4.733 1.408 -2.710 1.00 0.51 C ATOM 292 CG LYS A 21 5.026 2.417 -3.827 1.00 1.45 C ATOM 293 CD LYS A 21 6.256 3.267 -3.478 1.00 1.74 C ATOM 294 CE LYS A 21 6.590 4.204 -4.642 1.00 2.27 C ATOM 295 NZ LYS A 21 5.329 4.722 -5.246 1.00 3.16 N ATOM 0 H LYS A 21 6.137 2.216 -0.715 1.00 0.45 H new ATOM 0 HA LYS A 21 3.452 2.898 -1.803 1.00 0.44 H new ATOM 0 HB2 LYS A 21 5.649 0.887 -2.432 1.00 0.51 H new ATOM 0 HB3 LYS A 21 4.033 0.653 -3.067 1.00 0.51 H new ATOM 0 HG2 LYS A 21 5.196 1.890 -4.766 1.00 1.45 H new ATOM 0 HG3 LYS A 21 4.161 3.063 -3.977 1.00 1.45 H new ATOM 0 HD2 LYS A 21 6.063 3.848 -2.576 1.00 1.74 H new ATOM 0 HD3 LYS A 21 7.107 2.620 -3.265 1.00 1.74 H new ATOM 0 HE2 LYS A 21 7.204 5.033 -4.290 1.00 2.27 H new ATOM 0 HE3 LYS A 21 7.173 3.673 -5.394 1.00 2.27 H new ATOM 0 HZ1 LYS A 21 5.391 5.755 -5.347 1.00 3.16 H new ATOM 0 HZ2 LYS A 21 5.190 4.291 -6.182 1.00 3.16 H new ATOM 0 HZ3 LYS A 21 4.525 4.482 -4.631 1.00 3.16 H new ATOM 309 N CYS A 22 2.108 1.074 -0.773 1.00 0.39 N ATOM 310 CA CYS A 22 1.296 0.112 0.011 1.00 0.38 C ATOM 311 C CYS A 22 0.202 -0.489 -0.860 1.00 0.36 C ATOM 312 O CYS A 22 -0.206 0.081 -1.849 1.00 0.39 O ATOM 313 CB CYS A 22 0.622 0.839 1.162 1.00 0.46 C ATOM 314 SG CYS A 22 -0.138 2.379 0.555 1.00 0.78 S ATOM 0 H CYS A 22 1.577 1.670 -1.408 1.00 0.39 H new ATOM 0 HA CYS A 22 1.956 -0.674 0.379 1.00 0.38 H new ATOM 0 HB2 CYS A 22 -0.138 0.201 1.613 1.00 0.46 H new ATOM 0 HB3 CYS A 22 1.352 1.064 1.940 1.00 0.46 H new ATOM 319 N VAL A 23 -0.299 -1.621 -0.462 1.00 0.34 N ATOM 320 CA VAL A 23 -1.404 -2.284 -1.206 1.00 0.35 C ATOM 321 C VAL A 23 -2.641 -2.277 -0.297 1.00 0.37 C ATOM 322 O VAL A 23 -2.530 -2.511 0.891 1.00 0.39 O ATOM 323 CB VAL A 23 -0.991 -3.719 -1.531 1.00 0.39 C ATOM 324 CG1 VAL A 23 -2.062 -4.384 -2.399 1.00 0.43 C ATOM 325 CG2 VAL A 23 0.343 -3.692 -2.283 1.00 0.41 C ATOM 0 H VAL A 23 0.017 -2.126 0.366 1.00 0.34 H new ATOM 0 HA VAL A 23 -1.624 -1.765 -2.139 1.00 0.35 H new ATOM 0 HB VAL A 23 -0.883 -4.289 -0.608 1.00 0.39 H new ATOM 0 HG11 VAL A 23 -1.762 -5.407 -2.627 1.00 0.43 H new ATOM 0 HG12 VAL A 23 -3.010 -4.395 -1.862 1.00 0.43 H new ATOM 0 HG13 VAL A 23 -2.178 -3.824 -3.327 1.00 0.43 H new ATOM 0 HG21 VAL A 23 0.648 -4.711 -2.520 1.00 0.41 H new ATOM 0 HG22 VAL A 23 0.229 -3.123 -3.206 1.00 0.41 H new ATOM 0 HG23 VAL A 23 1.103 -3.222 -1.659 1.00 0.41 H new ATOM 335 N ILE A 24 -3.805 -1.949 -0.814 1.00 0.37 N ATOM 336 CA ILE A 24 -4.997 -1.868 0.107 1.00 0.41 C ATOM 337 C ILE A 24 -5.772 -3.181 0.113 1.00 0.41 C ATOM 338 O ILE A 24 -6.101 -3.726 -0.916 1.00 0.41 O ATOM 339 CB ILE A 24 -5.941 -0.757 -0.360 1.00 0.44 C ATOM 340 CG1 ILE A 24 -5.174 0.561 -0.450 1.00 0.45 C ATOM 341 CG2 ILE A 24 -7.091 -0.581 0.639 1.00 0.48 C ATOM 342 CD1 ILE A 24 -6.083 1.644 -1.037 1.00 0.51 C ATOM 0 H ILE A 24 -3.983 -1.740 -1.796 1.00 0.37 H new ATOM 0 HA ILE A 24 -4.628 -1.660 1.111 1.00 0.41 H new ATOM 0 HB ILE A 24 -6.342 -1.031 -1.336 1.00 0.44 H new ATOM 0 HG12 ILE A 24 -4.827 0.860 0.539 1.00 0.45 H new ATOM 0 HG13 ILE A 24 -4.289 0.437 -1.074 1.00 0.45 H new ATOM 0 HG21 ILE A 24 -7.754 0.212 0.294 1.00 0.48 H new ATOM 0 HG22 ILE A 24 -7.650 -1.513 0.718 1.00 0.48 H new ATOM 0 HG23 ILE A 24 -6.687 -0.317 1.616 1.00 0.48 H new ATOM 0 HD11 ILE A 24 -5.535 2.584 -1.101 1.00 0.51 H new ATOM 0 HD12 ILE A 24 -6.408 1.345 -2.034 1.00 0.51 H new ATOM 0 HD13 ILE A 24 -6.954 1.775 -0.395 1.00 0.51 H new ATOM 354 N VAL A 25 -6.127 -3.659 1.289 1.00 0.44 N ATOM 355 CA VAL A 25 -6.962 -4.891 1.331 1.00 0.45 C ATOM 356 C VAL A 25 -7.902 -4.894 2.557 1.00 0.65 C ATOM 357 O VAL A 25 -7.738 -5.669 3.473 1.00 1.30 O ATOM 358 CB VAL A 25 -6.007 -6.095 1.452 1.00 0.65 C ATOM 359 CG1 VAL A 25 -6.201 -7.057 0.281 1.00 1.10 C ATOM 360 CG2 VAL A 25 -4.546 -5.631 1.486 1.00 0.68 C ATOM 0 H VAL A 25 -5.879 -3.257 2.193 1.00 0.44 H new ATOM 0 HA VAL A 25 -7.573 -4.939 0.430 1.00 0.45 H new ATOM 0 HB VAL A 25 -6.241 -6.609 2.384 1.00 0.65 H new ATOM 0 HG11 VAL A 25 -5.518 -7.900 0.385 1.00 1.10 H new ATOM 0 HG12 VAL A 25 -7.228 -7.421 0.276 1.00 1.10 H new ATOM 0 HG13 VAL A 25 -5.996 -6.537 -0.655 1.00 1.10 H new ATOM 0 HG21 VAL A 25 -3.891 -6.498 1.572 1.00 0.68 H new ATOM 0 HG22 VAL A 25 -4.314 -5.090 0.568 1.00 0.68 H new ATOM 0 HG23 VAL A 25 -4.393 -4.974 2.342 1.00 0.68 H new ATOM 370 N ASP A 26 -8.969 -4.150 2.510 1.00 0.41 N ATOM 371 CA ASP A 26 -10.011 -4.228 3.587 1.00 0.53 C ATOM 372 C ASP A 26 -10.979 -3.091 3.394 1.00 0.43 C ATOM 373 O ASP A 26 -10.546 -1.967 3.129 1.00 0.45 O ATOM 374 CB ASP A 26 -9.487 -4.061 5.007 1.00 0.76 C ATOM 375 CG ASP A 26 -10.576 -4.480 6.001 1.00 0.99 C ATOM 376 OD1 ASP A 26 -11.614 -4.943 5.558 1.00 1.48 O ATOM 377 OD2 ASP A 26 -10.350 -4.331 7.191 1.00 1.56 O ATOM 0 H ASP A 26 -9.172 -3.482 1.766 1.00 0.41 H new ATOM 0 HA ASP A 26 -10.441 -5.225 3.493 1.00 0.53 H new ATOM 0 HB2 ASP A 26 -8.594 -4.669 5.151 1.00 0.76 H new ATOM 0 HB3 ASP A 26 -9.199 -3.024 5.181 1.00 0.76 H new ATOM 382 N ILE A 27 -12.213 -3.299 3.746 1.00 0.57 N ATOM 383 CA ILE A 27 -13.165 -2.168 3.795 1.00 0.65 C ATOM 384 C ILE A 27 -13.606 -2.139 5.258 1.00 0.63 C ATOM 385 O ILE A 27 -14.099 -3.130 5.761 1.00 0.79 O ATOM 386 CB ILE A 27 -14.368 -2.448 2.892 1.00 0.94 C ATOM 387 CG1 ILE A 27 -13.885 -2.715 1.467 1.00 1.59 C ATOM 388 CG2 ILE A 27 -15.301 -1.235 2.891 1.00 1.36 C ATOM 389 CD1 ILE A 27 -15.073 -3.125 0.594 1.00 1.80 C ATOM 0 H ILE A 27 -12.602 -4.207 4.002 1.00 0.57 H new ATOM 0 HA ILE A 27 -12.729 -1.228 3.457 1.00 0.65 H new ATOM 0 HB ILE A 27 -14.904 -3.320 3.266 1.00 0.94 H new ATOM 0 HG12 ILE A 27 -13.411 -1.822 1.059 1.00 1.59 H new ATOM 0 HG13 ILE A 27 -13.132 -3.503 1.469 1.00 1.59 H new ATOM 0 HG21 ILE A 27 -16.158 -1.435 2.247 1.00 1.36 H new ATOM 0 HG22 ILE A 27 -15.647 -1.041 3.906 1.00 1.36 H new ATOM 0 HG23 ILE A 27 -14.764 -0.363 2.519 1.00 1.36 H new ATOM 0 HD11 ILE A 27 -14.729 -3.316 -0.423 1.00 1.80 H new ATOM 0 HD12 ILE A 27 -15.527 -4.029 0.999 1.00 1.80 H new ATOM 0 HD13 ILE A 27 -15.811 -2.322 0.583 1.00 1.80 H new ATOM 401 N ILE A 28 -13.420 -1.058 5.955 1.00 0.57 N ATOM 402 CA ILE A 28 -13.815 -1.030 7.397 1.00 0.58 C ATOM 403 C ILE A 28 -15.023 -0.136 7.584 1.00 0.66 C ATOM 404 O ILE A 28 -15.918 -0.407 8.358 1.00 0.71 O ATOM 405 CB ILE A 28 -12.629 -0.480 8.181 1.00 0.57 C ATOM 406 CG1 ILE A 28 -11.434 -1.395 7.928 1.00 0.68 C ATOM 407 CG2 ILE A 28 -12.944 -0.430 9.677 1.00 0.61 C ATOM 408 CD1 ILE A 28 -10.194 -0.816 8.589 1.00 0.77 C ATOM 0 H ILE A 28 -13.014 -0.194 5.596 1.00 0.57 H new ATOM 0 HA ILE A 28 -14.077 -2.029 7.747 1.00 0.58 H new ATOM 0 HB ILE A 28 -12.409 0.536 7.855 1.00 0.57 H new ATOM 0 HG12 ILE A 28 -11.637 -2.391 8.323 1.00 0.68 H new ATOM 0 HG13 ILE A 28 -11.269 -1.505 6.856 1.00 0.68 H new ATOM 0 HG21 ILE A 28 -12.084 -0.034 10.217 1.00 0.61 H new ATOM 0 HG22 ILE A 28 -13.806 0.215 9.846 1.00 0.61 H new ATOM 0 HG23 ILE A 28 -13.167 -1.435 10.036 1.00 0.61 H new ATOM 0 HD11 ILE A 28 -9.344 -1.473 8.406 1.00 0.77 H new ATOM 0 HD12 ILE A 28 -9.987 0.170 8.174 1.00 0.77 H new ATOM 0 HD13 ILE A 28 -10.361 -0.730 9.663 1.00 0.77 H new ATOM 420 N ASP A 29 -15.029 0.936 6.872 1.00 1.01 N ATOM 421 CA ASP A 29 -16.134 1.903 6.962 1.00 1.18 C ATOM 422 C ASP A 29 -16.024 2.817 5.750 1.00 1.33 C ATOM 423 O ASP A 29 -15.093 2.722 4.976 1.00 2.10 O ATOM 424 CB ASP A 29 -16.051 2.686 8.266 1.00 1.03 C ATOM 425 CG ASP A 29 -17.345 3.474 8.479 1.00 1.72 C ATOM 426 OD1 ASP A 29 -18.267 3.284 7.703 1.00 2.26 O ATOM 427 OD2 ASP A 29 -17.393 4.253 9.417 1.00 2.40 O ATOM 0 H ASP A 29 -14.294 1.190 6.212 1.00 1.01 H new ATOM 0 HA ASP A 29 -17.101 1.399 6.964 1.00 1.18 H new ATOM 0 HB2 ASP A 29 -15.888 2.004 9.101 1.00 1.03 H new ATOM 0 HB3 ASP A 29 -15.200 3.367 8.239 1.00 1.03 H new ATOM 432 N ASP A 30 -16.964 3.673 5.556 1.00 1.29 N ATOM 433 CA ASP A 30 -16.895 4.550 4.363 1.00 1.39 C ATOM 434 C ASP A 30 -15.599 5.390 4.326 1.00 1.13 C ATOM 435 O ASP A 30 -15.047 5.590 3.262 1.00 1.20 O ATOM 436 CB ASP A 30 -18.098 5.488 4.364 1.00 1.64 C ATOM 437 CG ASP A 30 -19.377 4.679 4.140 1.00 1.90 C ATOM 438 OD1 ASP A 30 -19.266 3.519 3.778 1.00 2.55 O ATOM 439 OD2 ASP A 30 -20.446 5.234 4.333 1.00 2.09 O ATOM 0 H ASP A 30 -17.774 3.809 6.161 1.00 1.29 H new ATOM 0 HA ASP A 30 -16.899 3.910 3.481 1.00 1.39 H new ATOM 0 HB2 ASP A 30 -18.155 6.023 5.312 1.00 1.64 H new ATOM 0 HB3 ASP A 30 -17.988 6.238 3.581 1.00 1.64 H new ATOM 444 N ASN A 31 -15.110 5.912 5.443 1.00 0.91 N ATOM 445 CA ASN A 31 -13.873 6.755 5.374 1.00 0.77 C ATOM 446 C ASN A 31 -12.569 6.026 5.767 1.00 0.58 C ATOM 447 O ASN A 31 -11.524 6.652 5.788 1.00 0.53 O ATOM 448 CB ASN A 31 -14.058 7.955 6.305 1.00 0.86 C ATOM 449 CG ASN A 31 -15.237 8.800 5.816 1.00 1.29 C ATOM 450 OD1 ASN A 31 -15.651 8.687 4.680 1.00 2.10 O ATOM 451 ND2 ASN A 31 -15.802 9.645 6.635 1.00 1.60 N ATOM 0 H ASN A 31 -15.509 5.790 6.374 1.00 0.91 H new ATOM 0 HA ASN A 31 -13.755 7.043 4.329 1.00 0.77 H new ATOM 0 HB2 ASN A 31 -14.239 7.614 7.324 1.00 0.86 H new ATOM 0 HB3 ASN A 31 -13.149 8.556 6.326 1.00 0.86 H new ATOM 0 HD21 ASN A 31 -16.591 10.210 6.321 1.00 1.60 H new ATOM 0 HD22 ASN A 31 -15.455 9.740 7.589 1.00 1.60 H new ATOM 458 N PHE A 32 -12.598 4.753 6.096 1.00 0.56 N ATOM 459 CA PHE A 32 -11.318 4.073 6.504 1.00 0.45 C ATOM 460 C PHE A 32 -10.999 2.866 5.603 1.00 0.45 C ATOM 461 O PHE A 32 -11.878 2.116 5.225 1.00 0.52 O ATOM 462 CB PHE A 32 -11.495 3.619 7.946 1.00 0.48 C ATOM 463 CG PHE A 32 -11.744 4.826 8.846 1.00 0.54 C ATOM 464 CD1 PHE A 32 -13.030 5.365 8.947 1.00 1.52 C ATOM 465 CD2 PHE A 32 -10.698 5.404 9.577 1.00 1.09 C ATOM 466 CE1 PHE A 32 -13.279 6.465 9.773 1.00 1.60 C ATOM 467 CE2 PHE A 32 -10.953 6.506 10.416 1.00 1.13 C ATOM 468 CZ PHE A 32 -12.243 7.032 10.511 1.00 0.80 C ATOM 0 H PHE A 32 -13.431 4.165 6.101 1.00 0.56 H new ATOM 0 HA PHE A 32 -10.483 4.767 6.404 1.00 0.45 H new ATOM 0 HB2 PHE A 32 -12.331 2.923 8.017 1.00 0.48 H new ATOM 0 HB3 PHE A 32 -10.606 3.084 8.279 1.00 0.48 H new ATOM 0 HD1 PHE A 32 -13.839 4.927 8.381 1.00 1.52 H new ATOM 0 HD2 PHE A 32 -9.698 5.005 9.497 1.00 1.09 H new ATOM 0 HE1 PHE A 32 -14.276 6.876 9.839 1.00 1.60 H new ATOM 0 HE2 PHE A 32 -10.149 6.945 10.987 1.00 1.13 H new ATOM 0 HZ PHE A 32 -12.437 7.877 11.155 1.00 0.80 H new ATOM 478 N VAL A 33 -9.737 2.650 5.303 1.00 0.40 N ATOM 479 CA VAL A 33 -9.331 1.462 4.475 1.00 0.42 C ATOM 480 C VAL A 33 -8.118 0.767 5.134 1.00 0.39 C ATOM 481 O VAL A 33 -7.415 1.376 5.922 1.00 0.36 O ATOM 482 CB VAL A 33 -8.996 1.882 3.049 1.00 0.44 C ATOM 483 CG1 VAL A 33 -10.175 2.656 2.456 1.00 0.49 C ATOM 484 CG2 VAL A 33 -7.737 2.752 3.039 1.00 0.42 C ATOM 0 H VAL A 33 -8.966 3.249 5.598 1.00 0.40 H new ATOM 0 HA VAL A 33 -10.166 0.762 4.428 1.00 0.42 H new ATOM 0 HB VAL A 33 -8.809 0.993 2.446 1.00 0.44 H new ATOM 0 HG11 VAL A 33 -9.936 2.957 1.436 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -11.061 2.021 2.449 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -10.369 3.542 3.060 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -7.506 3.047 2.015 1.00 0.42 H new ATOM 0 HG22 VAL A 33 -7.906 3.643 3.644 1.00 0.42 H new ATOM 0 HG23 VAL A 33 -6.901 2.187 3.451 1.00 0.42 H new ATOM 494 N LEU A 34 -7.825 -0.475 4.778 1.00 0.43 N ATOM 495 CA LEU A 34 -6.592 -1.137 5.370 1.00 0.44 C ATOM 496 C LEU A 34 -5.460 -1.099 4.343 1.00 0.43 C ATOM 497 O LEU A 34 -5.671 -1.445 3.201 1.00 0.47 O ATOM 498 CB LEU A 34 -6.859 -2.604 5.676 1.00 0.55 C ATOM 499 CG LEU A 34 -5.685 -3.261 6.410 1.00 0.62 C ATOM 500 CD1 LEU A 34 -5.761 -2.917 7.898 1.00 0.93 C ATOM 501 CD2 LEU A 34 -5.765 -4.781 6.237 1.00 0.73 C ATOM 0 H LEU A 34 -8.364 -1.045 4.126 1.00 0.43 H new ATOM 0 HA LEU A 34 -6.330 -0.603 6.283 1.00 0.44 H new ATOM 0 HB2 LEU A 34 -7.760 -2.689 6.284 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -7.050 -3.139 4.746 1.00 0.55 H new ATOM 0 HG LEU A 34 -4.745 -2.894 5.997 1.00 0.62 H new ATOM 0 HD11 LEU A 34 -4.927 -3.383 8.422 1.00 0.93 H new ATOM 0 HD12 LEU A 34 -5.710 -1.836 8.024 1.00 0.93 H new ATOM 0 HD13 LEU A 34 -6.700 -3.287 8.309 1.00 0.93 H new ATOM 0 HD21 LEU A 34 -4.931 -5.251 6.758 1.00 0.73 H new ATOM 0 HD22 LEU A 34 -6.704 -5.146 6.653 1.00 0.73 H new ATOM 0 HD23 LEU A 34 -5.717 -5.030 5.177 1.00 0.73 H new ATOM 513 N VAL A 35 -4.261 -0.710 4.726 1.00 0.42 N ATOM 514 CA VAL A 35 -3.149 -0.696 3.726 1.00 0.43 C ATOM 515 C VAL A 35 -1.988 -1.558 4.231 1.00 0.44 C ATOM 516 O VAL A 35 -1.714 -1.632 5.414 1.00 0.46 O ATOM 517 CB VAL A 35 -2.696 0.752 3.504 1.00 0.47 C ATOM 518 CG1 VAL A 35 -3.897 1.596 3.078 1.00 0.46 C ATOM 519 CG2 VAL A 35 -2.099 1.333 4.789 1.00 0.52 C ATOM 0 H VAL A 35 -4.012 -0.408 5.668 1.00 0.42 H new ATOM 0 HA VAL A 35 -3.493 -1.109 2.778 1.00 0.43 H new ATOM 0 HB VAL A 35 -1.933 0.766 2.726 1.00 0.47 H new ATOM 0 HG11 VAL A 35 -3.579 2.627 2.919 1.00 0.46 H new ATOM 0 HG12 VAL A 35 -4.312 1.197 2.152 1.00 0.46 H new ATOM 0 HG13 VAL A 35 -4.657 1.567 3.858 1.00 0.46 H new ATOM 0 HG21 VAL A 35 -1.783 2.361 4.611 1.00 0.52 H new ATOM 0 HG22 VAL A 35 -2.849 1.315 5.579 1.00 0.52 H new ATOM 0 HG23 VAL A 35 -1.238 0.737 5.092 1.00 0.52 H new ATOM 529 N THR A 36 -1.315 -2.233 3.327 1.00 0.45 N ATOM 530 CA THR A 36 -0.182 -3.110 3.746 1.00 0.48 C ATOM 531 C THR A 36 0.953 -3.131 2.710 1.00 0.48 C ATOM 532 O THR A 36 0.743 -2.952 1.529 1.00 0.48 O ATOM 533 CB THR A 36 -0.719 -4.529 3.929 1.00 0.56 C ATOM 534 OG1 THR A 36 0.227 -5.306 4.649 1.00 0.63 O ATOM 535 CG2 THR A 36 -0.983 -5.158 2.560 1.00 0.60 C ATOM 0 H THR A 36 -1.502 -2.213 2.325 1.00 0.45 H new ATOM 0 HA THR A 36 0.231 -2.716 4.674 1.00 0.48 H new ATOM 0 HB THR A 36 -1.653 -4.496 4.490 1.00 0.56 H new ATOM 0 HG1 THR A 36 0.872 -4.712 5.088 1.00 0.63 H new ATOM 0 HG21 THR A 36 -1.366 -6.170 2.692 1.00 0.60 H new ATOM 0 HG22 THR A 36 -1.717 -4.560 2.020 1.00 0.60 H new ATOM 0 HG23 THR A 36 -0.054 -5.193 1.991 1.00 0.60 H new ATOM 543 N GLY A 37 2.142 -3.432 3.157 1.00 0.52 N ATOM 544 CA GLY A 37 3.310 -3.568 2.224 1.00 0.55 C ATOM 545 C GLY A 37 4.322 -4.483 2.901 1.00 0.70 C ATOM 546 O GLY A 37 4.238 -4.711 4.089 1.00 0.84 O ATOM 0 H GLY A 37 2.362 -3.592 4.140 1.00 0.52 H new ATOM 0 HA2 GLY A 37 2.993 -3.985 1.268 1.00 0.55 H new ATOM 0 HA3 GLY A 37 3.751 -2.593 2.015 1.00 0.55 H new ATOM 550 N PRO A 38 5.278 -5.005 2.191 1.00 0.74 N ATOM 551 CA PRO A 38 6.287 -5.879 2.828 1.00 0.93 C ATOM 552 C PRO A 38 7.077 -5.093 3.871 1.00 0.99 C ATOM 553 O PRO A 38 7.798 -4.167 3.558 1.00 0.94 O ATOM 554 CB PRO A 38 7.190 -6.316 1.671 1.00 0.94 C ATOM 555 CG PRO A 38 6.940 -5.331 0.578 1.00 0.82 C ATOM 556 CD PRO A 38 5.511 -4.827 0.764 1.00 0.69 C ATOM 0 HA PRO A 38 5.847 -6.729 3.349 1.00 0.93 H new ATOM 0 HB2 PRO A 38 8.238 -6.314 1.969 1.00 0.94 H new ATOM 0 HB3 PRO A 38 6.952 -7.330 1.348 1.00 0.94 H new ATOM 0 HG2 PRO A 38 7.651 -4.507 0.629 1.00 0.82 H new ATOM 0 HG3 PRO A 38 7.062 -5.797 -0.400 1.00 0.82 H new ATOM 0 HD2 PRO A 38 5.410 -3.783 0.467 1.00 0.69 H new ATOM 0 HD3 PRO A 38 4.801 -5.399 0.166 1.00 0.69 H new ATOM 564 N LYS A 39 6.955 -5.468 5.102 1.00 1.20 N ATOM 565 CA LYS A 39 7.699 -4.772 6.184 1.00 1.37 C ATOM 566 C LYS A 39 9.206 -4.843 5.931 1.00 1.39 C ATOM 567 O LYS A 39 9.952 -3.942 6.257 1.00 1.45 O ATOM 568 CB LYS A 39 7.381 -5.433 7.528 1.00 1.66 C ATOM 569 CG LYS A 39 8.030 -4.634 8.663 1.00 2.17 C ATOM 570 CD LYS A 39 7.764 -5.334 9.996 1.00 2.45 C ATOM 571 CE LYS A 39 8.266 -4.458 11.146 1.00 3.15 C ATOM 572 NZ LYS A 39 7.748 -4.991 12.438 1.00 3.44 N ATOM 0 H LYS A 39 6.364 -6.238 5.415 1.00 1.20 H new ATOM 0 HA LYS A 39 7.393 -3.726 6.201 1.00 1.37 H new ATOM 0 HB2 LYS A 39 6.302 -5.480 7.675 1.00 1.66 H new ATOM 0 HB3 LYS A 39 7.749 -6.459 7.536 1.00 1.66 H new ATOM 0 HG2 LYS A 39 9.103 -4.547 8.493 1.00 2.17 H new ATOM 0 HG3 LYS A 39 7.628 -3.621 8.685 1.00 2.17 H new ATOM 0 HD2 LYS A 39 6.697 -5.526 10.111 1.00 2.45 H new ATOM 0 HD3 LYS A 39 8.266 -6.301 10.017 1.00 2.45 H new ATOM 0 HE2 LYS A 39 9.356 -4.443 11.157 1.00 3.15 H new ATOM 0 HE3 LYS A 39 7.934 -3.429 11.005 1.00 3.15 H new ATOM 0 HZ1 LYS A 39 8.089 -4.396 13.220 1.00 3.44 H new ATOM 0 HZ2 LYS A 39 6.708 -4.983 12.425 1.00 3.44 H new ATOM 0 HZ3 LYS A 39 8.085 -5.966 12.572 1.00 3.44 H new ATOM 586 N ASP A 40 9.653 -5.933 5.378 1.00 1.42 N ATOM 587 CA ASP A 40 11.110 -6.102 5.127 1.00 1.48 C ATOM 588 C ASP A 40 11.665 -5.065 4.140 1.00 1.35 C ATOM 589 O ASP A 40 12.762 -4.574 4.317 1.00 1.42 O ATOM 590 CB ASP A 40 11.359 -7.502 4.566 1.00 1.59 C ATOM 591 CG ASP A 40 11.034 -8.547 5.635 1.00 1.79 C ATOM 592 OD1 ASP A 40 10.879 -8.163 6.782 1.00 2.01 O ATOM 593 OD2 ASP A 40 10.947 -9.713 5.287 1.00 2.27 O ATOM 0 H ASP A 40 9.070 -6.718 5.088 1.00 1.42 H new ATOM 0 HA ASP A 40 11.624 -5.959 6.078 1.00 1.48 H new ATOM 0 HB2 ASP A 40 10.742 -7.666 3.683 1.00 1.59 H new ATOM 0 HB3 ASP A 40 12.398 -7.599 4.251 1.00 1.59 H new ATOM 598 N ILE A 41 10.944 -4.755 3.086 1.00 1.20 N ATOM 599 CA ILE A 41 11.480 -3.781 2.082 1.00 1.13 C ATOM 600 C ILE A 41 10.942 -2.360 2.288 1.00 1.03 C ATOM 601 O ILE A 41 11.640 -1.492 2.771 1.00 1.27 O ATOM 602 CB ILE A 41 11.143 -4.299 0.686 1.00 1.10 C ATOM 603 CG1 ILE A 41 11.795 -5.683 0.533 1.00 1.29 C ATOM 604 CG2 ILE A 41 11.710 -3.337 -0.370 1.00 1.11 C ATOM 605 CD1 ILE A 41 11.376 -6.331 -0.781 1.00 2.05 C ATOM 0 H ILE A 41 10.018 -5.130 2.880 1.00 1.20 H new ATOM 0 HA ILE A 41 12.560 -3.708 2.210 1.00 1.13 H new ATOM 0 HB ILE A 41 10.064 -4.368 0.550 1.00 1.10 H new ATOM 0 HG12 ILE A 41 12.880 -5.586 0.567 1.00 1.29 H new ATOM 0 HG13 ILE A 41 11.506 -6.321 1.368 1.00 1.29 H new ATOM 0 HG21 ILE A 41 11.469 -3.707 -1.366 1.00 1.11 H new ATOM 0 HG22 ILE A 41 11.271 -2.348 -0.234 1.00 1.11 H new ATOM 0 HG23 ILE A 41 12.792 -3.272 -0.259 1.00 1.11 H new ATOM 0 HD11 ILE A 41 11.848 -7.310 -0.871 1.00 2.05 H new ATOM 0 HD12 ILE A 41 10.292 -6.447 -0.800 1.00 2.05 H new ATOM 0 HD13 ILE A 41 11.688 -5.700 -1.613 1.00 2.05 H new ATOM 617 N THR A 42 9.729 -2.091 1.861 1.00 0.78 N ATOM 618 CA THR A 42 9.181 -0.712 1.957 1.00 0.75 C ATOM 619 C THR A 42 9.122 -0.289 3.423 1.00 0.90 C ATOM 620 O THR A 42 9.373 0.851 3.763 1.00 1.07 O ATOM 621 CB THR A 42 7.785 -0.715 1.326 1.00 0.56 C ATOM 622 OG1 THR A 42 7.873 -1.246 0.011 1.00 1.03 O ATOM 623 CG2 THR A 42 7.243 0.709 1.250 1.00 1.10 C ATOM 0 H THR A 42 9.097 -2.777 1.449 1.00 0.78 H new ATOM 0 HA THR A 42 9.815 -0.000 1.429 1.00 0.75 H new ATOM 0 HB THR A 42 7.116 -1.323 1.936 1.00 0.56 H new ATOM 0 HG1 THR A 42 6.983 -1.253 -0.399 1.00 1.03 H new ATOM 0 HG21 THR A 42 6.250 0.697 0.800 1.00 1.10 H new ATOM 0 HG22 THR A 42 7.181 1.129 2.254 1.00 1.10 H new ATOM 0 HG23 THR A 42 7.910 1.320 0.642 1.00 1.10 H new ATOM 631 N GLY A 43 8.825 -1.209 4.289 1.00 0.93 N ATOM 632 CA GLY A 43 8.780 -0.896 5.744 1.00 1.12 C ATOM 633 C GLY A 43 7.353 -0.672 6.240 1.00 0.97 C ATOM 634 O GLY A 43 7.145 -0.531 7.430 1.00 1.10 O ATOM 0 H GLY A 43 8.608 -2.177 4.051 1.00 0.93 H new ATOM 0 HA2 GLY A 43 9.234 -1.713 6.304 1.00 1.12 H new ATOM 0 HA3 GLY A 43 9.376 -0.005 5.941 1.00 1.12 H new ATOM 638 N VAL A 44 6.354 -0.692 5.390 1.00 0.78 N ATOM 639 CA VAL A 44 4.975 -0.539 5.921 1.00 0.70 C ATOM 640 C VAL A 44 4.487 -1.958 6.204 1.00 0.72 C ATOM 641 O VAL A 44 4.633 -2.833 5.381 1.00 0.80 O ATOM 642 CB VAL A 44 4.091 0.166 4.886 1.00 0.61 C ATOM 643 CG1 VAL A 44 4.604 1.588 4.654 1.00 0.79 C ATOM 644 CG2 VAL A 44 4.117 -0.587 3.571 1.00 1.06 C ATOM 0 H VAL A 44 6.435 -0.805 4.379 1.00 0.78 H new ATOM 0 HA VAL A 44 4.941 0.071 6.824 1.00 0.70 H new ATOM 0 HB VAL A 44 3.069 0.196 5.264 1.00 0.61 H new ATOM 0 HG11 VAL A 44 3.974 2.087 3.918 1.00 0.79 H new ATOM 0 HG12 VAL A 44 4.575 2.143 5.592 1.00 0.79 H new ATOM 0 HG13 VAL A 44 5.630 1.549 4.287 1.00 0.79 H new ATOM 0 HG21 VAL A 44 3.485 -0.075 2.846 1.00 1.06 H new ATOM 0 HG22 VAL A 44 5.139 -0.629 3.196 1.00 1.06 H new ATOM 0 HG23 VAL A 44 3.745 -1.600 3.724 1.00 1.06 H new ATOM 654 N LYS A 45 3.932 -2.210 7.360 1.00 0.80 N ATOM 655 CA LYS A 45 3.476 -3.608 7.644 1.00 0.91 C ATOM 656 C LYS A 45 2.006 -3.766 7.291 1.00 0.78 C ATOM 657 O LYS A 45 1.638 -4.261 6.241 1.00 0.83 O ATOM 658 CB LYS A 45 3.679 -3.906 9.134 1.00 1.14 C ATOM 659 CG LYS A 45 3.343 -5.372 9.415 1.00 1.87 C ATOM 660 CD LYS A 45 3.620 -5.687 10.891 1.00 2.04 C ATOM 661 CE LYS A 45 2.630 -4.935 11.789 1.00 2.84 C ATOM 662 NZ LYS A 45 3.175 -3.584 12.108 1.00 3.49 N ATOM 0 H LYS A 45 3.776 -1.530 8.104 1.00 0.80 H new ATOM 0 HA LYS A 45 4.058 -4.305 7.040 1.00 0.91 H new ATOM 0 HB2 LYS A 45 4.710 -3.698 9.420 1.00 1.14 H new ATOM 0 HB3 LYS A 45 3.044 -3.255 9.735 1.00 1.14 H new ATOM 0 HG2 LYS A 45 2.297 -5.568 9.181 1.00 1.87 H new ATOM 0 HG3 LYS A 45 3.940 -6.022 8.775 1.00 1.87 H new ATOM 0 HD2 LYS A 45 3.535 -6.760 11.063 1.00 2.04 H new ATOM 0 HD3 LYS A 45 4.641 -5.403 11.145 1.00 2.04 H new ATOM 0 HE2 LYS A 45 1.667 -4.841 11.288 1.00 2.84 H new ATOM 0 HE3 LYS A 45 2.458 -5.496 12.708 1.00 2.84 H new ATOM 0 HZ1 LYS A 45 3.254 -3.476 13.139 1.00 3.49 H new ATOM 0 HZ2 LYS A 45 4.115 -3.478 11.675 1.00 3.49 H new ATOM 0 HZ3 LYS A 45 2.536 -2.854 11.732 1.00 3.49 H new ATOM 676 N ARG A 46 1.178 -3.281 8.165 1.00 0.67 N ATOM 677 CA ARG A 46 -0.272 -3.296 7.968 1.00 0.59 C ATOM 678 C ARG A 46 -0.815 -2.118 8.759 1.00 0.54 C ATOM 679 O ARG A 46 -0.536 -1.996 9.935 1.00 0.59 O ATOM 680 CB ARG A 46 -0.806 -4.594 8.549 1.00 0.62 C ATOM 681 CG ARG A 46 -2.296 -4.685 8.299 1.00 0.62 C ATOM 682 CD ARG A 46 -2.812 -6.005 8.853 1.00 0.73 C ATOM 683 NE ARG A 46 -2.747 -5.997 10.344 1.00 1.39 N ATOM 684 CZ ARG A 46 -1.726 -6.519 10.975 1.00 1.89 C ATOM 685 NH1 ARG A 46 -0.707 -6.996 10.310 1.00 2.10 N ATOM 686 NH2 ARG A 46 -1.717 -6.547 12.279 1.00 2.78 N ATOM 0 H ARG A 46 1.473 -2.858 9.045 1.00 0.67 H new ATOM 0 HA ARG A 46 -0.557 -3.226 6.918 1.00 0.59 H new ATOM 0 HB2 ARG A 46 -0.298 -5.444 8.094 1.00 0.62 H new ATOM 0 HB3 ARG A 46 -0.603 -4.636 9.619 1.00 0.62 H new ATOM 0 HG2 ARG A 46 -2.809 -3.850 8.776 1.00 0.62 H new ATOM 0 HG3 ARG A 46 -2.503 -4.618 7.231 1.00 0.62 H new ATOM 0 HD2 ARG A 46 -3.839 -6.168 8.527 1.00 0.73 H new ATOM 0 HD3 ARG A 46 -2.218 -6.830 8.460 1.00 0.73 H new ATOM 0 HE ARG A 46 -3.509 -5.579 10.879 1.00 1.39 H new ATOM 0 HH11 ARG A 46 -0.703 -6.963 9.291 1.00 2.10 H new ATOM 0 HH12 ARG A 46 0.084 -7.401 10.810 1.00 2.10 H new ATOM 0 HH21 ARG A 46 -2.504 -6.163 12.803 1.00 2.78 H new ATOM 0 HH22 ARG A 46 -0.923 -6.953 12.775 1.00 2.78 H new ATOM 700 N ARG A 47 -1.566 -1.243 8.175 1.00 0.50 N ATOM 701 CA ARG A 47 -2.074 -0.101 8.968 1.00 0.51 C ATOM 702 C ARG A 47 -3.364 0.437 8.347 1.00 0.43 C ATOM 703 O ARG A 47 -3.724 0.089 7.243 1.00 0.40 O ATOM 704 CB ARG A 47 -0.975 0.963 9.081 1.00 0.65 C ATOM 705 CG ARG A 47 -0.553 1.438 7.693 1.00 0.69 C ATOM 706 CD ARG A 47 0.696 2.316 7.803 1.00 0.88 C ATOM 707 NE ARG A 47 1.882 1.479 8.160 1.00 1.51 N ATOM 708 CZ ARG A 47 2.307 1.400 9.399 1.00 2.07 C ATOM 709 NH1 ARG A 47 1.665 2.000 10.367 1.00 2.26 N ATOM 710 NH2 ARG A 47 3.373 0.697 9.671 1.00 3.10 N ATOM 0 H ARG A 47 -1.849 -1.265 7.195 1.00 0.50 H new ATOM 0 HA ARG A 47 -2.326 -0.420 9.979 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -1.336 1.808 9.668 1.00 0.65 H new ATOM 0 HB3 ARG A 47 -0.115 0.552 9.609 1.00 0.65 H new ATOM 0 HG2 ARG A 47 -0.351 0.581 7.051 1.00 0.69 H new ATOM 0 HG3 ARG A 47 -1.364 1.999 7.229 1.00 0.69 H new ATOM 0 HD2 ARG A 47 0.874 2.829 6.858 1.00 0.88 H new ATOM 0 HD3 ARG A 47 0.543 3.086 8.559 1.00 0.88 H new ATOM 0 HE ARG A 47 2.369 0.961 7.429 1.00 1.51 H new ATOM 0 HH11 ARG A 47 0.823 2.538 10.164 1.00 2.26 H new ATOM 0 HH12 ARG A 47 2.007 1.930 11.326 1.00 2.26 H new ATOM 0 HH21 ARG A 47 3.870 0.214 8.923 1.00 3.10 H new ATOM 0 HH22 ARG A 47 3.709 0.631 10.632 1.00 3.10 H new ATOM 724 N ARG A 48 -4.084 1.247 9.072 1.00 0.46 N ATOM 725 CA ARG A 48 -5.380 1.781 8.556 1.00 0.40 C ATOM 726 C ARG A 48 -5.262 3.290 8.336 1.00 0.40 C ATOM 727 O ARG A 48 -4.713 3.985 9.167 1.00 0.49 O ATOM 728 CB ARG A 48 -6.427 1.525 9.635 1.00 0.44 C ATOM 729 CG ARG A 48 -7.815 1.877 9.122 1.00 1.30 C ATOM 730 CD ARG A 48 -8.825 1.606 10.243 1.00 1.32 C ATOM 731 NE ARG A 48 -8.629 2.598 11.337 1.00 1.71 N ATOM 732 CZ ARG A 48 -9.583 2.811 12.202 1.00 2.17 C ATOM 733 NH1 ARG A 48 -10.703 2.147 12.113 1.00 2.17 N ATOM 734 NH2 ARG A 48 -9.417 3.686 13.155 1.00 3.00 N ATOM 0 H ARG A 48 -3.830 1.566 10.007 1.00 0.46 H new ATOM 0 HA ARG A 48 -5.648 1.303 7.614 1.00 0.40 H new ATOM 0 HB2 ARG A 48 -6.399 0.478 9.937 1.00 0.44 H new ATOM 0 HB3 ARG A 48 -6.198 2.118 10.520 1.00 0.44 H new ATOM 0 HG2 ARG A 48 -7.854 2.924 8.820 1.00 1.30 H new ATOM 0 HG3 ARG A 48 -8.057 1.282 8.241 1.00 1.30 H new ATOM 0 HD2 ARG A 48 -9.842 1.672 9.855 1.00 1.32 H new ATOM 0 HD3 ARG A 48 -8.696 0.594 10.627 1.00 1.32 H new ATOM 0 HE ARG A 48 -7.750 3.110 11.410 1.00 1.71 H new ATOM 0 HH11 ARG A 48 -10.832 1.462 11.368 1.00 2.17 H new ATOM 0 HH12 ARG A 48 -11.449 2.313 12.788 1.00 2.17 H new ATOM 0 HH21 ARG A 48 -8.541 4.204 13.225 1.00 3.00 H new ATOM 0 HH22 ARG A 48 -10.163 3.852 13.831 1.00 3.00 H new ATOM 748 N VAL A 49 -5.801 3.815 7.248 1.00 0.35 N ATOM 749 CA VAL A 49 -5.726 5.299 7.051 1.00 0.41 C ATOM 750 C VAL A 49 -7.093 5.859 6.659 1.00 0.38 C ATOM 751 O VAL A 49 -7.928 5.188 6.078 1.00 0.37 O ATOM 752 CB VAL A 49 -4.681 5.680 5.992 1.00 0.50 C ATOM 753 CG1 VAL A 49 -3.339 5.038 6.342 1.00 1.63 C ATOM 754 CG2 VAL A 49 -5.115 5.248 4.592 1.00 1.04 C ATOM 0 H VAL A 49 -6.275 3.293 6.511 1.00 0.35 H new ATOM 0 HA VAL A 49 -5.418 5.737 8.001 1.00 0.41 H new ATOM 0 HB VAL A 49 -4.582 6.766 5.989 1.00 0.50 H new ATOM 0 HG11 VAL A 49 -2.599 5.309 5.589 1.00 1.63 H new ATOM 0 HG12 VAL A 49 -3.010 5.392 7.319 1.00 1.63 H new ATOM 0 HG13 VAL A 49 -3.450 3.954 6.367 1.00 1.63 H new ATOM 0 HG21 VAL A 49 -4.351 5.534 3.870 1.00 1.04 H new ATOM 0 HG22 VAL A 49 -5.248 4.166 4.570 1.00 1.04 H new ATOM 0 HG23 VAL A 49 -6.056 5.735 4.337 1.00 1.04 H new ATOM 764 N ASN A 50 -7.308 7.090 7.008 1.00 0.39 N ATOM 765 CA ASN A 50 -8.596 7.772 6.718 1.00 0.42 C ATOM 766 C ASN A 50 -8.519 8.396 5.314 1.00 0.42 C ATOM 767 O ASN A 50 -7.450 8.572 4.765 1.00 0.39 O ATOM 768 CB ASN A 50 -8.792 8.879 7.744 1.00 0.48 C ATOM 769 CG ASN A 50 -8.726 8.265 9.133 1.00 1.38 C ATOM 770 OD1 ASN A 50 -8.703 7.064 9.260 1.00 2.28 O ATOM 771 ND2 ASN A 50 -8.696 9.039 10.184 1.00 1.90 N ATOM 0 H ASN A 50 -6.626 7.670 7.496 1.00 0.39 H new ATOM 0 HA ASN A 50 -9.424 7.064 6.764 1.00 0.42 H new ATOM 0 HB2 ASN A 50 -8.022 9.642 7.630 1.00 0.48 H new ATOM 0 HB3 ASN A 50 -9.753 9.371 7.592 1.00 0.48 H new ATOM 0 HD21 ASN A 50 -8.653 8.630 11.117 1.00 1.90 H new ATOM 0 HD22 ASN A 50 -8.716 10.053 10.072 1.00 1.90 H new ATOM 778 N ILE A 51 -9.635 8.746 4.739 1.00 0.51 N ATOM 779 CA ILE A 51 -9.625 9.378 3.380 1.00 0.56 C ATOM 780 C ILE A 51 -8.777 10.651 3.372 1.00 0.57 C ATOM 781 O ILE A 51 -8.297 11.061 2.334 1.00 0.59 O ATOM 782 CB ILE A 51 -11.035 9.733 2.915 1.00 0.73 C ATOM 783 CG1 ILE A 51 -11.857 8.454 2.783 1.00 0.81 C ATOM 784 CG2 ILE A 51 -10.949 10.444 1.558 1.00 0.81 C ATOM 785 CD1 ILE A 51 -13.319 8.799 2.475 1.00 1.41 C ATOM 0 H ILE A 51 -10.561 8.623 5.150 1.00 0.51 H new ATOM 0 HA ILE A 51 -9.196 8.644 2.698 1.00 0.56 H new ATOM 0 HB ILE A 51 -11.514 10.393 3.639 1.00 0.73 H new ATOM 0 HG12 ILE A 51 -11.447 7.829 1.989 1.00 0.81 H new ATOM 0 HG13 ILE A 51 -11.798 7.877 3.706 1.00 0.81 H new ATOM 0 HG21 ILE A 51 -11.952 10.701 1.218 1.00 0.81 H new ATOM 0 HG22 ILE A 51 -10.356 11.353 1.660 1.00 0.81 H new ATOM 0 HG23 ILE A 51 -10.478 9.783 0.830 1.00 0.81 H new ATOM 0 HD11 ILE A 51 -13.898 7.880 2.383 1.00 1.41 H new ATOM 0 HD12 ILE A 51 -13.728 9.406 3.283 1.00 1.41 H new ATOM 0 HD13 ILE A 51 -13.372 9.357 1.540 1.00 1.41 H new ATOM 797 N LEU A 52 -8.596 11.306 4.486 1.00 0.61 N ATOM 798 CA LEU A 52 -7.794 12.561 4.459 1.00 0.70 C ATOM 799 C LEU A 52 -6.430 12.253 3.845 1.00 0.64 C ATOM 800 O LEU A 52 -5.907 13.043 3.084 1.00 0.75 O ATOM 801 CB LEU A 52 -7.603 13.079 5.889 1.00 0.76 C ATOM 802 CG LEU A 52 -8.964 13.302 6.558 1.00 0.85 C ATOM 803 CD1 LEU A 52 -8.752 13.918 7.943 1.00 1.25 C ATOM 804 CD2 LEU A 52 -9.812 14.255 5.714 1.00 1.08 C ATOM 0 H LEU A 52 -8.961 11.033 5.398 1.00 0.61 H new ATOM 0 HA LEU A 52 -8.309 13.320 3.869 1.00 0.70 H new ATOM 0 HB2 LEU A 52 -7.018 12.364 6.467 1.00 0.76 H new ATOM 0 HB3 LEU A 52 -7.040 14.012 5.873 1.00 0.76 H new ATOM 0 HG LEU A 52 -9.477 12.345 6.649 1.00 0.85 H new ATOM 0 HD11 LEU A 52 -9.718 14.078 8.422 1.00 1.25 H new ATOM 0 HD12 LEU A 52 -8.152 13.243 8.553 1.00 1.25 H new ATOM 0 HD13 LEU A 52 -8.235 14.872 7.842 1.00 1.25 H new ATOM 0 HD21 LEU A 52 -10.777 14.408 6.197 1.00 1.08 H new ATOM 0 HD22 LEU A 52 -9.298 15.212 5.619 1.00 1.08 H new ATOM 0 HD23 LEU A 52 -9.965 13.826 4.724 1.00 1.08 H new ATOM 816 N HIS A 53 -5.882 11.090 4.103 1.00 0.52 N ATOM 817 CA HIS A 53 -4.590 10.726 3.451 1.00 0.55 C ATOM 818 C HIS A 53 -4.841 9.548 2.525 1.00 0.45 C ATOM 819 O HIS A 53 -4.661 8.410 2.913 1.00 0.50 O ATOM 820 CB HIS A 53 -3.599 10.278 4.526 1.00 0.70 C ATOM 821 CG HIS A 53 -3.202 11.453 5.376 1.00 0.84 C ATOM 822 ND1 HIS A 53 -3.880 11.789 6.539 1.00 1.50 N ATOM 823 CD2 HIS A 53 -2.197 12.381 5.245 1.00 1.35 C ATOM 824 CE1 HIS A 53 -3.280 12.876 7.060 1.00 1.35 C ATOM 825 NE2 HIS A 53 -2.252 13.275 6.308 1.00 1.20 N ATOM 0 H HIS A 53 -6.270 10.385 4.730 1.00 0.52 H new ATOM 0 HA HIS A 53 -4.193 11.580 2.902 1.00 0.55 H new ATOM 0 HB2 HIS A 53 -4.048 9.504 5.148 1.00 0.70 H new ATOM 0 HB3 HIS A 53 -2.716 9.840 4.060 1.00 0.70 H new ATOM 0 HD2 HIS A 53 -1.476 12.411 4.441 1.00 1.35 H new ATOM 0 HE1 HIS A 53 -3.591 13.364 7.972 1.00 1.35 H new ATOM 0 HE2 HIS A 53 -1.636 14.070 6.478 1.00 1.20 H new ATOM 834 N LEU A 54 -5.228 9.798 1.302 1.00 0.42 N ATOM 835 CA LEU A 54 -5.458 8.691 0.348 1.00 0.43 C ATOM 836 C LEU A 54 -4.676 8.982 -0.939 1.00 0.36 C ATOM 837 O LEU A 54 -4.857 10.025 -1.536 1.00 0.39 O ATOM 838 CB LEU A 54 -6.953 8.630 0.053 1.00 0.59 C ATOM 839 CG LEU A 54 -7.268 7.397 -0.787 1.00 0.92 C ATOM 840 CD1 LEU A 54 -7.136 6.129 0.064 1.00 1.56 C ATOM 841 CD2 LEU A 54 -8.696 7.517 -1.304 1.00 1.29 C ATOM 0 H LEU A 54 -5.394 10.732 0.927 1.00 0.42 H new ATOM 0 HA LEU A 54 -5.124 7.738 0.759 1.00 0.43 H new ATOM 0 HB2 LEU A 54 -7.515 8.598 0.986 1.00 0.59 H new ATOM 0 HB3 LEU A 54 -7.265 9.530 -0.476 1.00 0.59 H new ATOM 0 HG LEU A 54 -6.568 7.332 -1.620 1.00 0.92 H new ATOM 0 HD11 LEU A 54 -7.363 5.255 -0.547 1.00 1.56 H new ATOM 0 HD12 LEU A 54 -6.118 6.051 0.444 1.00 1.56 H new ATOM 0 HD13 LEU A 54 -7.833 6.178 0.901 1.00 1.56 H new ATOM 0 HD21 LEU A 54 -8.939 6.643 -1.908 1.00 1.29 H new ATOM 0 HD22 LEU A 54 -9.384 7.579 -0.461 1.00 1.29 H new ATOM 0 HD23 LEU A 54 -8.788 8.416 -1.914 1.00 1.29 H new ATOM 853 N GLU A 55 -3.875 8.069 -1.415 1.00 0.39 N ATOM 854 CA GLU A 55 -3.169 8.300 -2.713 1.00 0.38 C ATOM 855 C GLU A 55 -3.330 7.027 -3.553 1.00 0.43 C ATOM 856 O GLU A 55 -2.509 6.137 -3.492 1.00 0.50 O ATOM 857 CB GLU A 55 -1.689 8.603 -2.468 1.00 0.44 C ATOM 858 CG GLU A 55 -1.248 9.730 -3.407 1.00 0.85 C ATOM 859 CD GLU A 55 -1.781 11.066 -2.888 1.00 1.55 C ATOM 860 OE1 GLU A 55 -2.489 11.053 -1.895 1.00 2.28 O ATOM 861 OE2 GLU A 55 -1.471 12.080 -3.491 1.00 2.20 O ATOM 0 H GLU A 55 -3.677 7.175 -0.965 1.00 0.39 H new ATOM 0 HA GLU A 55 -3.594 9.157 -3.236 1.00 0.38 H new ATOM 0 HB2 GLU A 55 -1.531 8.895 -1.430 1.00 0.44 H new ATOM 0 HB3 GLU A 55 -1.088 7.711 -2.643 1.00 0.44 H new ATOM 0 HG2 GLU A 55 -0.160 9.760 -3.470 1.00 0.85 H new ATOM 0 HG3 GLU A 55 -1.620 9.545 -4.414 1.00 0.85 H new ATOM 868 N PRO A 56 -4.397 6.907 -4.304 1.00 0.46 N ATOM 869 CA PRO A 56 -4.657 5.696 -5.113 1.00 0.52 C ATOM 870 C PRO A 56 -4.127 5.758 -6.548 1.00 0.50 C ATOM 871 O PRO A 56 -4.108 6.795 -7.180 1.00 0.53 O ATOM 872 CB PRO A 56 -6.182 5.636 -5.126 1.00 0.66 C ATOM 873 CG PRO A 56 -6.642 7.061 -5.031 1.00 0.69 C ATOM 874 CD PRO A 56 -5.476 7.889 -4.477 1.00 0.56 C ATOM 0 HA PRO A 56 -4.151 4.828 -4.690 1.00 0.52 H new ATOM 0 HB2 PRO A 56 -6.548 5.166 -6.039 1.00 0.66 H new ATOM 0 HB3 PRO A 56 -6.558 5.046 -4.290 1.00 0.66 H new ATOM 0 HG2 PRO A 56 -6.944 7.432 -6.011 1.00 0.69 H new ATOM 0 HG3 PRO A 56 -7.512 7.140 -4.379 1.00 0.69 H new ATOM 0 HD2 PRO A 56 -5.187 8.683 -5.166 1.00 0.56 H new ATOM 0 HD3 PRO A 56 -5.738 8.366 -3.532 1.00 0.56 H new ATOM 882 N THR A 57 -3.740 4.625 -7.062 1.00 0.56 N ATOM 883 CA THR A 57 -3.247 4.545 -8.468 1.00 0.63 C ATOM 884 C THR A 57 -4.376 3.979 -9.316 1.00 0.66 C ATOM 885 O THR A 57 -5.390 3.557 -8.805 1.00 0.71 O ATOM 886 CB THR A 57 -2.033 3.639 -8.605 1.00 0.78 C ATOM 887 OG1 THR A 57 -2.461 2.291 -8.539 1.00 0.88 O ATOM 888 CG2 THR A 57 -1.029 3.947 -7.493 1.00 0.78 C ATOM 0 H THR A 57 -3.744 3.737 -6.561 1.00 0.56 H new ATOM 0 HA THR A 57 -2.948 5.542 -8.790 1.00 0.63 H new ATOM 0 HB THR A 57 -1.541 3.811 -9.562 1.00 0.78 H new ATOM 0 HG1 THR A 57 -3.098 2.186 -7.802 1.00 0.88 H new ATOM 0 HG21 THR A 57 -0.161 3.295 -7.596 1.00 0.78 H new ATOM 0 HG22 THR A 57 -0.712 4.987 -7.567 1.00 0.78 H new ATOM 0 HG23 THR A 57 -1.497 3.778 -6.523 1.00 0.78 H new ATOM 896 N ASP A 58 -4.209 3.969 -10.599 1.00 0.71 N ATOM 897 CA ASP A 58 -5.267 3.450 -11.508 1.00 0.78 C ATOM 898 C ASP A 58 -5.149 1.941 -11.588 1.00 0.87 C ATOM 899 O ASP A 58 -5.673 1.299 -12.476 1.00 1.59 O ATOM 900 CB ASP A 58 -5.117 4.081 -12.900 1.00 0.88 C ATOM 901 CG ASP A 58 -3.802 3.637 -13.555 1.00 1.77 C ATOM 902 OD1 ASP A 58 -3.192 2.703 -13.063 1.00 2.16 O ATOM 903 OD2 ASP A 58 -3.426 4.246 -14.543 1.00 2.57 O ATOM 0 H ASP A 58 -3.369 4.304 -11.071 1.00 0.71 H new ATOM 0 HA ASP A 58 -6.252 3.712 -11.121 1.00 0.78 H new ATOM 0 HB2 ASP A 58 -5.959 3.792 -13.529 1.00 0.88 H new ATOM 0 HB3 ASP A 58 -5.140 5.168 -12.817 1.00 0.88 H new ATOM 908 N LYS A 59 -4.439 1.379 -10.660 1.00 0.69 N ATOM 909 CA LYS A 59 -4.219 -0.071 -10.621 1.00 0.63 C ATOM 910 C LYS A 59 -5.355 -0.716 -9.855 1.00 0.92 C ATOM 911 O LYS A 59 -5.646 -0.285 -8.775 1.00 1.56 O ATOM 912 CB LYS A 59 -3.033 -0.275 -9.702 1.00 0.62 C ATOM 913 CG LYS A 59 -2.506 -1.690 -9.803 1.00 1.23 C ATOM 914 CD LYS A 59 -1.484 -1.857 -8.696 1.00 1.26 C ATOM 915 CE LYS A 59 -0.571 -3.045 -8.990 1.00 2.14 C ATOM 916 NZ LYS A 59 0.452 -3.148 -7.912 1.00 2.90 N ATOM 0 H LYS A 59 -3.989 1.892 -9.902 1.00 0.69 H new ATOM 0 HA LYS A 59 -4.110 -0.468 -11.630 1.00 0.63 H new ATOM 0 HB2 LYS A 59 -2.243 0.430 -9.960 1.00 0.62 H new ATOM 0 HB3 LYS A 59 -3.325 -0.064 -8.673 1.00 0.62 H new ATOM 0 HG2 LYS A 59 -3.315 -2.412 -9.694 1.00 1.23 H new ATOM 0 HG3 LYS A 59 -2.052 -1.865 -10.778 1.00 1.23 H new ATOM 0 HD2 LYS A 59 -0.890 -0.948 -8.601 1.00 1.26 H new ATOM 0 HD3 LYS A 59 -1.992 -2.007 -7.743 1.00 1.26 H new ATOM 0 HE2 LYS A 59 -1.155 -3.964 -9.044 1.00 2.14 H new ATOM 0 HE3 LYS A 59 -0.087 -2.917 -9.958 1.00 2.14 H new ATOM 0 HZ1 LYS A 59 1.158 -3.866 -8.171 1.00 2.90 H new ATOM 0 HZ2 LYS A 59 0.922 -2.228 -7.790 1.00 2.90 H new ATOM 0 HZ3 LYS A 59 -0.009 -3.422 -7.021 1.00 2.90 H new ATOM 930 N LYS A 60 -5.981 -1.730 -10.371 1.00 0.91 N ATOM 931 CA LYS A 60 -7.077 -2.388 -9.581 1.00 1.21 C ATOM 932 C LYS A 60 -6.915 -3.904 -9.602 1.00 0.55 C ATOM 933 O LYS A 60 -6.966 -4.535 -10.638 1.00 1.43 O ATOM 934 CB LYS A 60 -8.435 -2.021 -10.191 1.00 2.34 C ATOM 935 CG LYS A 60 -9.564 -2.603 -9.332 1.00 2.82 C ATOM 936 CD LYS A 60 -10.914 -2.294 -9.979 1.00 3.96 C ATOM 937 CE LYS A 60 -12.039 -2.755 -9.050 1.00 4.45 C ATOM 938 NZ LYS A 60 -11.889 -4.211 -8.775 1.00 5.03 N ATOM 0 H LYS A 60 -5.794 -2.134 -11.289 1.00 0.91 H new ATOM 0 HA LYS A 60 -7.022 -2.039 -8.550 1.00 1.21 H new ATOM 0 HB2 LYS A 60 -8.535 -0.937 -10.254 1.00 2.34 H new ATOM 0 HB3 LYS A 60 -8.503 -2.407 -11.208 1.00 2.34 H new ATOM 0 HG2 LYS A 60 -9.437 -3.681 -9.229 1.00 2.82 H new ATOM 0 HG3 LYS A 60 -9.525 -2.180 -8.328 1.00 2.82 H new ATOM 0 HD2 LYS A 60 -11.001 -1.225 -10.172 1.00 3.96 H new ATOM 0 HD3 LYS A 60 -10.992 -2.799 -10.942 1.00 3.96 H new ATOM 0 HE2 LYS A 60 -12.008 -2.193 -8.117 1.00 4.45 H new ATOM 0 HE3 LYS A 60 -13.008 -2.558 -9.509 1.00 4.45 H new ATOM 0 HZ1 LYS A 60 -12.787 -4.590 -8.412 1.00 5.03 H new ATOM 0 HZ2 LYS A 60 -11.634 -4.706 -9.654 1.00 5.03 H new ATOM 0 HZ3 LYS A 60 -11.141 -4.355 -8.067 1.00 5.03 H new ATOM 952 N ILE A 61 -6.774 -4.494 -8.440 1.00 0.90 N ATOM 953 CA ILE A 61 -6.655 -5.968 -8.302 1.00 1.43 C ATOM 954 C ILE A 61 -7.848 -6.425 -7.457 1.00 0.99 C ATOM 955 O ILE A 61 -8.226 -5.750 -6.520 1.00 1.45 O ATOM 956 CB ILE A 61 -5.363 -6.325 -7.576 1.00 2.80 C ATOM 957 CG1 ILE A 61 -4.145 -5.686 -8.262 1.00 3.66 C ATOM 958 CG2 ILE A 61 -5.178 -7.846 -7.558 1.00 3.54 C ATOM 959 CD1 ILE A 61 -4.164 -5.969 -9.767 1.00 4.81 C ATOM 0 H ILE A 61 -6.736 -3.990 -7.554 1.00 0.90 H new ATOM 0 HA ILE A 61 -6.643 -6.449 -9.280 1.00 1.43 H new ATOM 0 HB ILE A 61 -5.436 -5.942 -6.558 1.00 2.80 H new ATOM 0 HG12 ILE A 61 -4.146 -4.610 -8.089 1.00 3.66 H new ATOM 0 HG13 ILE A 61 -3.227 -6.078 -7.824 1.00 3.66 H new ATOM 0 HG21 ILE A 61 -4.253 -8.094 -7.038 1.00 3.54 H new ATOM 0 HG22 ILE A 61 -6.019 -8.309 -7.042 1.00 3.54 H new ATOM 0 HG23 ILE A 61 -5.130 -8.219 -8.581 1.00 3.54 H new ATOM 0 HD11 ILE A 61 -3.294 -5.508 -10.235 1.00 4.81 H new ATOM 0 HD12 ILE A 61 -4.139 -7.046 -9.935 1.00 4.81 H new ATOM 0 HD13 ILE A 61 -5.073 -5.555 -10.204 1.00 4.81 H new ATOM 971 N ASP A 62 -8.445 -7.544 -7.747 1.00 1.05 N ATOM 972 CA ASP A 62 -9.604 -7.986 -6.915 1.00 0.82 C ATOM 973 C ASP A 62 -9.116 -8.818 -5.710 1.00 0.92 C ATOM 974 O ASP A 62 -8.353 -9.753 -5.837 1.00 1.22 O ATOM 975 CB ASP A 62 -10.588 -8.781 -7.790 1.00 1.33 C ATOM 976 CG ASP A 62 -9.939 -10.053 -8.357 1.00 1.56 C ATOM 977 OD1 ASP A 62 -8.874 -10.420 -7.905 1.00 2.14 O ATOM 978 OD2 ASP A 62 -10.533 -10.642 -9.244 1.00 2.06 O ATOM 0 H ASP A 62 -8.188 -8.167 -8.513 1.00 1.05 H new ATOM 0 HA ASP A 62 -10.123 -7.114 -6.519 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -11.464 -9.051 -7.200 1.00 1.33 H new ATOM 0 HB3 ASP A 62 -10.936 -8.153 -8.610 1.00 1.33 H new ATOM 983 N ILE A 63 -9.552 -8.446 -4.525 1.00 0.75 N ATOM 984 CA ILE A 63 -9.129 -9.180 -3.284 1.00 0.87 C ATOM 985 C ILE A 63 -10.363 -9.606 -2.490 1.00 0.70 C ATOM 986 O ILE A 63 -11.448 -9.095 -2.686 1.00 0.66 O ATOM 987 CB ILE A 63 -8.265 -8.292 -2.368 1.00 1.06 C ATOM 988 CG1 ILE A 63 -9.094 -7.147 -1.747 1.00 0.94 C ATOM 989 CG2 ILE A 63 -7.116 -7.693 -3.181 1.00 1.72 C ATOM 990 CD1 ILE A 63 -9.849 -6.362 -2.822 1.00 1.64 C ATOM 0 H ILE A 63 -10.185 -7.663 -4.364 1.00 0.75 H new ATOM 0 HA ILE A 63 -8.547 -10.045 -3.601 1.00 0.87 H new ATOM 0 HB ILE A 63 -7.878 -8.913 -1.560 1.00 1.06 H new ATOM 0 HG12 ILE A 63 -9.803 -7.557 -1.028 1.00 0.94 H new ATOM 0 HG13 ILE A 63 -8.435 -6.474 -1.198 1.00 0.94 H new ATOM 0 HG21 ILE A 63 -6.503 -7.064 -2.536 1.00 1.72 H new ATOM 0 HG22 ILE A 63 -6.504 -8.496 -3.593 1.00 1.72 H new ATOM 0 HG23 ILE A 63 -7.521 -7.092 -3.995 1.00 1.72 H new ATOM 0 HD11 ILE A 63 -10.423 -5.563 -2.353 1.00 1.64 H new ATOM 0 HD12 ILE A 63 -9.137 -5.932 -3.526 1.00 1.64 H new ATOM 0 HD13 ILE A 63 -10.526 -7.031 -3.353 1.00 1.64 H new ATOM 1002 N GLN A 64 -10.207 -10.536 -1.589 1.00 0.71 N ATOM 1003 CA GLN A 64 -11.383 -10.975 -0.792 1.00 0.66 C ATOM 1004 C GLN A 64 -11.759 -9.844 0.176 1.00 0.61 C ATOM 1005 O GLN A 64 -12.243 -8.816 -0.250 1.00 1.32 O ATOM 1006 CB GLN A 64 -11.022 -12.232 0.001 1.00 0.77 C ATOM 1007 CG GLN A 64 -10.712 -13.375 -0.966 1.00 1.23 C ATOM 1008 CD GLN A 64 -10.300 -14.618 -0.174 1.00 1.77 C ATOM 1009 OE1 GLN A 64 -9.973 -14.529 0.992 1.00 2.17 O ATOM 1010 NE2 GLN A 64 -10.302 -15.782 -0.764 1.00 2.59 N ATOM 0 H GLN A 64 -9.327 -11.005 -1.373 1.00 0.71 H new ATOM 0 HA GLN A 64 -12.222 -11.200 -1.450 1.00 0.66 H new ATOM 0 HB2 GLN A 64 -10.160 -12.037 0.639 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -11.847 -12.510 0.657 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -11.587 -13.595 -1.578 1.00 1.23 H new ATOM 0 HG3 GLN A 64 -9.912 -13.083 -1.646 1.00 1.23 H new ATOM 0 HE21 GLN A 64 -10.577 -15.857 -1.743 1.00 2.59 H new ATOM 0 HE22 GLN A 64 -10.029 -16.617 -0.246 1.00 2.59 H new ATOM 1019 N LYS A 65 -11.511 -9.990 1.457 1.00 0.80 N ATOM 1020 CA LYS A 65 -11.840 -8.884 2.416 1.00 0.78 C ATOM 1021 C LYS A 65 -11.394 -9.278 3.832 1.00 0.69 C ATOM 1022 O LYS A 65 -11.889 -10.237 4.388 1.00 0.82 O ATOM 1023 CB LYS A 65 -13.355 -8.634 2.439 1.00 1.04 C ATOM 1024 CG LYS A 65 -13.656 -7.425 3.328 1.00 1.72 C ATOM 1025 CD LYS A 65 -15.156 -7.111 3.285 1.00 1.99 C ATOM 1026 CE LYS A 65 -15.951 -8.231 3.963 1.00 2.85 C ATOM 1027 NZ LYS A 65 -17.274 -7.702 4.401 1.00 3.48 N ATOM 0 H LYS A 65 -11.098 -10.822 1.879 1.00 0.80 H new ATOM 0 HA LYS A 65 -11.322 -7.981 2.093 1.00 0.78 H new ATOM 0 HB2 LYS A 65 -13.721 -8.456 1.428 1.00 1.04 H new ATOM 0 HB3 LYS A 65 -13.875 -9.515 2.816 1.00 1.04 H new ATOM 0 HG2 LYS A 65 -13.347 -7.630 4.353 1.00 1.72 H new ATOM 0 HG3 LYS A 65 -13.084 -6.561 2.989 1.00 1.72 H new ATOM 0 HD2 LYS A 65 -15.351 -6.163 3.786 1.00 1.99 H new ATOM 0 HD3 LYS A 65 -15.482 -6.999 2.251 1.00 1.99 H new ATOM 0 HE2 LYS A 65 -16.090 -9.063 3.273 1.00 2.85 H new ATOM 0 HE3 LYS A 65 -15.399 -8.617 4.820 1.00 2.85 H new ATOM 0 HZ1 LYS A 65 -17.816 -8.461 4.862 1.00 3.48 H new ATOM 0 HZ2 LYS A 65 -17.131 -6.922 5.073 1.00 3.48 H new ATOM 0 HZ3 LYS A 65 -17.800 -7.354 3.574 1.00 3.48 H new ATOM 1041 N GLY A 66 -10.503 -8.542 4.448 1.00 0.59 N ATOM 1042 CA GLY A 66 -10.103 -8.896 5.843 1.00 0.60 C ATOM 1043 C GLY A 66 -9.107 -10.059 5.846 1.00 0.55 C ATOM 1044 O GLY A 66 -8.972 -10.761 6.828 1.00 0.64 O ATOM 0 H GLY A 66 -10.041 -7.723 4.052 1.00 0.59 H new ATOM 0 HA2 GLY A 66 -9.657 -8.028 6.329 1.00 0.60 H new ATOM 0 HA3 GLY A 66 -10.986 -9.167 6.422 1.00 0.60 H new ATOM 1048 N ALA A 67 -8.443 -10.301 4.753 1.00 0.50 N ATOM 1049 CA ALA A 67 -7.500 -11.458 4.698 1.00 0.56 C ATOM 1050 C ALA A 67 -6.512 -11.434 5.885 1.00 0.56 C ATOM 1051 O ALA A 67 -6.113 -10.390 6.362 1.00 0.54 O ATOM 1052 CB ALA A 67 -6.734 -11.395 3.375 1.00 0.62 C ATOM 0 H ALA A 67 -8.509 -9.752 3.896 1.00 0.50 H new ATOM 0 HA ALA A 67 -8.068 -12.386 4.764 1.00 0.56 H new ATOM 0 HB1 ALA A 67 -6.039 -12.233 3.316 1.00 0.62 H new ATOM 0 HB2 ALA A 67 -7.438 -11.448 2.544 1.00 0.62 H new ATOM 0 HB3 ALA A 67 -6.178 -10.459 3.320 1.00 0.62 H new ATOM 1058 N SER A 68 -6.117 -12.603 6.350 1.00 0.63 N ATOM 1059 CA SER A 68 -5.150 -12.696 7.497 1.00 0.65 C ATOM 1060 C SER A 68 -3.809 -12.147 7.020 1.00 0.60 C ATOM 1061 O SER A 68 -3.606 -11.996 5.835 1.00 0.56 O ATOM 1062 CB SER A 68 -4.988 -14.155 7.928 1.00 0.73 C ATOM 1063 OG SER A 68 -4.203 -14.843 6.966 1.00 0.73 O ATOM 0 H SER A 68 -6.426 -13.502 5.980 1.00 0.63 H new ATOM 0 HA SER A 68 -5.517 -12.125 8.350 1.00 0.65 H new ATOM 0 HB2 SER A 68 -4.512 -14.206 8.907 1.00 0.73 H new ATOM 0 HB3 SER A 68 -5.965 -14.629 8.023 1.00 0.73 H new ATOM 0 HG SER A 68 -4.096 -15.778 7.240 1.00 0.73 H new ATOM 1069 N ASP A 69 -2.887 -11.808 7.891 1.00 0.64 N ATOM 1070 CA ASP A 69 -1.626 -11.245 7.361 1.00 0.60 C ATOM 1071 C ASP A 69 -0.967 -12.225 6.399 1.00 0.57 C ATOM 1072 O ASP A 69 -0.514 -11.832 5.356 1.00 0.51 O ATOM 1073 CB ASP A 69 -0.673 -10.974 8.527 1.00 0.66 C ATOM 1074 CG ASP A 69 -1.236 -9.846 9.395 1.00 1.15 C ATOM 1075 OD1 ASP A 69 -2.167 -9.195 8.954 1.00 1.69 O ATOM 1076 OD2 ASP A 69 -0.724 -9.653 10.485 1.00 2.02 O ATOM 0 H ASP A 69 -2.955 -11.895 8.905 1.00 0.64 H new ATOM 0 HA ASP A 69 -1.848 -10.321 6.828 1.00 0.60 H new ATOM 0 HB2 ASP A 69 -0.545 -11.877 9.124 1.00 0.66 H new ATOM 0 HB3 ASP A 69 0.312 -10.700 8.149 1.00 0.66 H new ATOM 1081 N GLU A 70 -0.899 -13.495 6.707 1.00 0.64 N ATOM 1082 CA GLU A 70 -0.225 -14.394 5.731 1.00 0.64 C ATOM 1083 C GLU A 70 -1.006 -14.398 4.424 1.00 0.59 C ATOM 1084 O GLU A 70 -0.440 -14.352 3.348 1.00 0.57 O ATOM 1085 CB GLU A 70 -0.170 -15.814 6.299 1.00 0.75 C ATOM 1086 CG GLU A 70 0.708 -15.829 7.553 1.00 1.34 C ATOM 1087 CD GLU A 70 0.817 -17.261 8.081 1.00 1.66 C ATOM 1088 OE1 GLU A 70 0.102 -18.112 7.580 1.00 1.89 O ATOM 1089 OE2 GLU A 70 1.614 -17.479 8.979 1.00 2.30 O ATOM 0 H GLU A 70 -1.264 -13.932 7.554 1.00 0.64 H new ATOM 0 HA GLU A 70 0.789 -14.038 5.547 1.00 0.64 H new ATOM 0 HB2 GLU A 70 -1.175 -16.159 6.542 1.00 0.75 H new ATOM 0 HB3 GLU A 70 0.231 -16.500 5.553 1.00 0.75 H new ATOM 0 HG2 GLU A 70 1.699 -15.439 7.321 1.00 1.34 H new ATOM 0 HG3 GLU A 70 0.281 -15.180 8.317 1.00 1.34 H new ATOM 1096 N GLU A 71 -2.307 -14.396 4.503 1.00 0.59 N ATOM 1097 CA GLU A 71 -3.106 -14.340 3.257 1.00 0.57 C ATOM 1098 C GLU A 71 -2.912 -12.973 2.599 1.00 0.51 C ATOM 1099 O GLU A 71 -2.866 -12.846 1.390 1.00 0.51 O ATOM 1100 CB GLU A 71 -4.579 -14.578 3.593 1.00 0.64 C ATOM 1101 CG GLU A 71 -4.757 -16.006 4.111 1.00 0.90 C ATOM 1102 CD GLU A 71 -6.238 -16.268 4.391 1.00 1.19 C ATOM 1103 OE1 GLU A 71 -7.007 -15.322 4.340 1.00 1.50 O ATOM 1104 OE2 GLU A 71 -6.578 -17.411 4.651 1.00 1.96 O ATOM 0 H GLU A 71 -2.844 -14.430 5.370 1.00 0.59 H new ATOM 0 HA GLU A 71 -2.779 -15.113 2.561 1.00 0.57 H new ATOM 0 HB2 GLU A 71 -4.912 -13.862 4.345 1.00 0.64 H new ATOM 0 HB3 GLU A 71 -5.195 -14.421 2.708 1.00 0.64 H new ATOM 0 HG2 GLU A 71 -4.383 -16.720 3.377 1.00 0.90 H new ATOM 0 HG3 GLU A 71 -4.173 -16.149 5.020 1.00 0.90 H new ATOM 1111 N VAL A 72 -2.805 -11.943 3.402 1.00 0.49 N ATOM 1112 CA VAL A 72 -2.629 -10.572 2.850 1.00 0.46 C ATOM 1113 C VAL A 72 -1.330 -10.474 2.070 1.00 0.41 C ATOM 1114 O VAL A 72 -1.279 -9.875 1.019 1.00 0.43 O ATOM 1115 CB VAL A 72 -2.570 -9.562 3.992 1.00 0.48 C ATOM 1116 CG1 VAL A 72 -2.238 -8.180 3.435 1.00 0.46 C ATOM 1117 CG2 VAL A 72 -3.915 -9.509 4.717 1.00 0.59 C ATOM 0 H VAL A 72 -2.833 -11.997 4.420 1.00 0.49 H new ATOM 0 HA VAL A 72 -3.472 -10.361 2.192 1.00 0.46 H new ATOM 0 HB VAL A 72 -1.797 -9.869 4.697 1.00 0.48 H new ATOM 0 HG11 VAL A 72 -2.196 -7.459 4.251 1.00 0.46 H new ATOM 0 HG12 VAL A 72 -1.272 -8.213 2.930 1.00 0.46 H new ATOM 0 HG13 VAL A 72 -3.008 -7.879 2.725 1.00 0.46 H new ATOM 0 HG21 VAL A 72 -3.862 -8.785 5.530 1.00 0.59 H new ATOM 0 HG22 VAL A 72 -4.695 -9.211 4.016 1.00 0.59 H new ATOM 0 HG23 VAL A 72 -4.149 -10.493 5.122 1.00 0.59 H new ATOM 1127 N LYS A 73 -0.276 -11.056 2.579 1.00 0.40 N ATOM 1128 CA LYS A 73 1.018 -10.975 1.865 1.00 0.43 C ATOM 1129 C LYS A 73 0.863 -11.574 0.463 1.00 0.47 C ATOM 1130 O LYS A 73 1.421 -11.086 -0.503 1.00 0.51 O ATOM 1131 CB LYS A 73 2.066 -11.749 2.668 1.00 0.48 C ATOM 1132 CG LYS A 73 2.294 -11.057 4.011 1.00 0.50 C ATOM 1133 CD LYS A 73 3.418 -11.774 4.755 1.00 0.59 C ATOM 1134 CE LYS A 73 3.561 -11.164 6.141 1.00 0.76 C ATOM 1135 NZ LYS A 73 4.508 -11.979 6.953 1.00 0.79 N ATOM 0 H LYS A 73 -0.261 -11.580 3.454 1.00 0.40 H new ATOM 0 HA LYS A 73 1.335 -9.937 1.764 1.00 0.43 H new ATOM 0 HB2 LYS A 73 1.733 -12.774 2.827 1.00 0.48 H new ATOM 0 HB3 LYS A 73 3.001 -11.801 2.110 1.00 0.48 H new ATOM 0 HG2 LYS A 73 2.553 -10.010 3.856 1.00 0.50 H new ATOM 0 HG3 LYS A 73 1.379 -11.074 4.604 1.00 0.50 H new ATOM 0 HD2 LYS A 73 3.199 -12.839 4.833 1.00 0.59 H new ATOM 0 HD3 LYS A 73 4.354 -11.681 4.204 1.00 0.59 H new ATOM 0 HE2 LYS A 73 3.923 -10.139 6.062 1.00 0.76 H new ATOM 0 HE3 LYS A 73 2.589 -11.122 6.632 1.00 0.76 H new ATOM 0 HZ1 LYS A 73 4.604 -11.559 7.900 1.00 0.79 H new ATOM 0 HZ2 LYS A 73 4.145 -12.950 7.040 1.00 0.79 H new ATOM 0 HZ3 LYS A 73 5.438 -11.998 6.487 1.00 0.79 H new ATOM 1149 N LYS A 74 0.125 -12.646 0.354 1.00 0.49 N ATOM 1150 CA LYS A 74 -0.035 -13.288 -0.985 1.00 0.57 C ATOM 1151 C LYS A 74 -0.656 -12.313 -1.999 1.00 0.58 C ATOM 1152 O LYS A 74 -0.242 -12.258 -3.142 1.00 0.63 O ATOM 1153 CB LYS A 74 -0.933 -14.513 -0.849 1.00 0.63 C ATOM 1154 CG LYS A 74 -0.241 -15.548 0.037 1.00 1.16 C ATOM 1155 CD LYS A 74 -1.081 -16.823 0.075 1.00 1.19 C ATOM 1156 CE LYS A 74 -0.459 -17.818 1.055 1.00 2.01 C ATOM 1157 NZ LYS A 74 -0.134 -19.084 0.340 1.00 2.33 N ATOM 0 H LYS A 74 -0.368 -13.101 1.122 1.00 0.49 H new ATOM 0 HA LYS A 74 0.951 -13.578 -1.348 1.00 0.57 H new ATOM 0 HB2 LYS A 74 -1.892 -14.229 -0.416 1.00 0.63 H new ATOM 0 HB3 LYS A 74 -1.140 -14.938 -1.831 1.00 0.63 H new ATOM 0 HG2 LYS A 74 0.755 -15.766 -0.349 1.00 1.16 H new ATOM 0 HG3 LYS A 74 -0.113 -15.153 1.045 1.00 1.16 H new ATOM 0 HD2 LYS A 74 -2.102 -16.589 0.377 1.00 1.19 H new ATOM 0 HD3 LYS A 74 -1.136 -17.264 -0.920 1.00 1.19 H new ATOM 0 HE2 LYS A 74 0.444 -17.395 1.495 1.00 2.01 H new ATOM 0 HE3 LYS A 74 -1.150 -18.018 1.874 1.00 2.01 H new ATOM 0 HZ1 LYS A 74 0.289 -19.761 1.007 1.00 2.33 H new ATOM 0 HZ2 LYS A 74 -1.004 -19.490 -0.060 1.00 2.33 H new ATOM 0 HZ3 LYS A 74 0.540 -18.886 -0.427 1.00 2.33 H new ATOM 1171 N LYS A 75 -1.632 -11.535 -1.603 1.00 0.55 N ATOM 1172 CA LYS A 75 -2.261 -10.571 -2.561 1.00 0.59 C ATOM 1173 C LYS A 75 -1.253 -9.563 -3.100 1.00 0.55 C ATOM 1174 O LYS A 75 -1.371 -9.106 -4.215 1.00 0.59 O ATOM 1175 CB LYS A 75 -3.438 -9.830 -1.908 1.00 0.62 C ATOM 1176 CG LYS A 75 -4.664 -10.746 -1.784 1.00 1.06 C ATOM 1177 CD LYS A 75 -4.513 -11.718 -0.617 1.00 1.32 C ATOM 1178 CE LYS A 75 -5.772 -12.573 -0.526 1.00 1.88 C ATOM 1179 NZ LYS A 75 -5.911 -13.114 0.854 1.00 2.62 N ATOM 0 H LYS A 75 -2.021 -11.525 -0.660 1.00 0.55 H new ATOM 0 HA LYS A 75 -2.633 -11.160 -3.399 1.00 0.59 H new ATOM 0 HB2 LYS A 75 -3.145 -9.473 -0.921 1.00 0.62 H new ATOM 0 HB3 LYS A 75 -3.694 -8.952 -2.501 1.00 0.62 H new ATOM 0 HG2 LYS A 75 -5.560 -10.141 -1.643 1.00 1.06 H new ATOM 0 HG3 LYS A 75 -4.799 -11.304 -2.710 1.00 1.06 H new ATOM 0 HD2 LYS A 75 -3.637 -12.350 -0.763 1.00 1.32 H new ATOM 0 HD3 LYS A 75 -4.360 -11.171 0.313 1.00 1.32 H new ATOM 0 HE2 LYS A 75 -6.648 -11.977 -0.783 1.00 1.88 H new ATOM 0 HE3 LYS A 75 -5.721 -13.391 -1.244 1.00 1.88 H new ATOM 0 HZ1 LYS A 75 -5.706 -14.134 0.850 1.00 2.62 H new ATOM 0 HZ2 LYS A 75 -5.242 -12.629 1.486 1.00 2.62 H new ATOM 0 HZ3 LYS A 75 -6.882 -12.958 1.192 1.00 2.62 H new ATOM 1193 N LEU A 76 -0.282 -9.180 -2.337 1.00 0.51 N ATOM 1194 CA LEU A 76 0.677 -8.172 -2.864 1.00 0.52 C ATOM 1195 C LEU A 76 1.319 -8.716 -4.124 1.00 0.54 C ATOM 1196 O LEU A 76 1.585 -8.004 -5.059 1.00 0.59 O ATOM 1197 CB LEU A 76 1.750 -7.848 -1.821 1.00 0.58 C ATOM 1198 CG LEU A 76 1.126 -7.048 -0.667 1.00 0.76 C ATOM 1199 CD1 LEU A 76 0.349 -7.951 0.283 1.00 1.30 C ATOM 1200 CD2 LEU A 76 2.233 -6.342 0.109 1.00 1.28 C ATOM 0 H LEU A 76 -0.107 -9.510 -1.388 1.00 0.51 H new ATOM 0 HA LEU A 76 0.141 -7.251 -3.092 1.00 0.52 H new ATOM 0 HB2 LEU A 76 2.191 -8.769 -1.441 1.00 0.58 H new ATOM 0 HB3 LEU A 76 2.556 -7.275 -2.280 1.00 0.58 H new ATOM 0 HG LEU A 76 0.432 -6.323 -1.092 1.00 0.76 H new ATOM 0 HD11 LEU A 76 -0.078 -7.352 1.087 1.00 1.30 H new ATOM 0 HD12 LEU A 76 -0.452 -8.450 -0.263 1.00 1.30 H new ATOM 0 HD13 LEU A 76 1.021 -8.698 0.706 1.00 1.30 H new ATOM 0 HD21 LEU A 76 1.796 -5.773 0.929 1.00 1.28 H new ATOM 0 HD22 LEU A 76 2.926 -7.082 0.510 1.00 1.28 H new ATOM 0 HD23 LEU A 76 2.770 -5.666 -0.557 1.00 1.28 H new ATOM 1212 N GLU A 77 1.596 -9.963 -4.170 1.00 0.54 N ATOM 1213 CA GLU A 77 2.245 -10.458 -5.396 1.00 0.62 C ATOM 1214 C GLU A 77 1.332 -10.110 -6.566 1.00 0.66 C ATOM 1215 O GLU A 77 1.795 -9.791 -7.644 1.00 0.72 O ATOM 1216 CB GLU A 77 2.409 -11.957 -5.314 1.00 0.67 C ATOM 1217 CG GLU A 77 3.375 -12.327 -4.185 1.00 0.65 C ATOM 1218 CD GLU A 77 4.765 -11.744 -4.458 1.00 1.04 C ATOM 1219 OE1 GLU A 77 5.034 -11.408 -5.599 1.00 1.70 O ATOM 1220 OE2 GLU A 77 5.545 -11.663 -3.523 1.00 1.47 O ATOM 0 H GLU A 77 1.412 -10.651 -3.440 1.00 0.54 H new ATOM 0 HA GLU A 77 3.229 -10.006 -5.522 1.00 0.62 H new ATOM 0 HB2 GLU A 77 1.441 -12.426 -5.141 1.00 0.67 H new ATOM 0 HB3 GLU A 77 2.784 -12.341 -6.263 1.00 0.67 H new ATOM 0 HG2 GLU A 77 2.996 -11.950 -3.235 1.00 0.65 H new ATOM 0 HG3 GLU A 77 3.440 -13.411 -4.094 1.00 0.65 H new ATOM 1227 N GLU A 78 0.039 -10.103 -6.363 1.00 0.65 N ATOM 1228 CA GLU A 78 -0.853 -9.695 -7.480 1.00 0.71 C ATOM 1229 C GLU A 78 -0.525 -8.236 -7.773 1.00 0.67 C ATOM 1230 O GLU A 78 -0.570 -7.774 -8.896 1.00 0.72 O ATOM 1231 CB GLU A 78 -2.323 -9.827 -7.078 1.00 0.74 C ATOM 1232 CG GLU A 78 -2.650 -11.295 -6.810 1.00 1.38 C ATOM 1233 CD GLU A 78 -4.136 -11.434 -6.472 1.00 1.60 C ATOM 1234 OE1 GLU A 78 -4.780 -10.413 -6.296 1.00 1.85 O ATOM 1235 OE2 GLU A 78 -4.604 -12.559 -6.397 1.00 2.29 O ATOM 0 H GLU A 78 -0.426 -10.357 -5.491 1.00 0.65 H new ATOM 0 HA GLU A 78 -0.698 -10.329 -8.353 1.00 0.71 H new ATOM 0 HB2 GLU A 78 -2.522 -9.231 -6.187 1.00 0.74 H new ATOM 0 HB3 GLU A 78 -2.964 -9.440 -7.870 1.00 0.74 H new ATOM 0 HG2 GLU A 78 -2.407 -11.898 -7.685 1.00 1.38 H new ATOM 0 HG3 GLU A 78 -2.042 -11.669 -5.986 1.00 1.38 H new ATOM 1242 N SER A 79 -0.189 -7.516 -6.733 1.00 0.62 N ATOM 1243 CA SER A 79 0.155 -6.079 -6.899 1.00 0.62 C ATOM 1244 C SER A 79 1.437 -6.053 -7.730 1.00 0.68 C ATOM 1245 O SER A 79 1.755 -5.087 -8.393 1.00 0.74 O ATOM 1246 CB SER A 79 0.379 -5.427 -5.512 1.00 0.59 C ATOM 1247 OG SER A 79 1.599 -5.872 -4.953 1.00 1.41 O ATOM 0 H SER A 79 -0.139 -7.865 -5.776 1.00 0.62 H new ATOM 0 HA SER A 79 -0.641 -5.519 -7.390 1.00 0.62 H new ATOM 0 HB2 SER A 79 0.390 -4.341 -5.610 1.00 0.59 H new ATOM 0 HB3 SER A 79 -0.447 -5.678 -4.847 1.00 0.59 H new ATOM 0 HG SER A 79 1.753 -6.807 -5.205 1.00 1.41 H new ATOM 1253 N ASN A 80 2.200 -7.113 -7.630 1.00 0.72 N ATOM 1254 CA ASN A 80 3.512 -7.205 -8.328 1.00 0.85 C ATOM 1255 C ASN A 80 4.373 -6.089 -7.773 1.00 0.84 C ATOM 1256 O ASN A 80 5.162 -5.463 -8.453 1.00 0.95 O ATOM 1257 CB ASN A 80 3.335 -7.041 -9.844 1.00 0.98 C ATOM 1258 CG ASN A 80 2.308 -8.055 -10.350 1.00 1.05 C ATOM 1259 OD1 ASN A 80 2.376 -9.294 -9.943 1.00 1.40 O flip ATOM 1260 ND2 ASN A 80 1.433 -7.718 -11.122 1.00 1.53 N flip ATOM 0 H ASN A 80 1.959 -7.937 -7.079 1.00 0.72 H new ATOM 0 HA ASN A 80 3.973 -8.179 -8.164 1.00 0.85 H new ATOM 0 HB2 ASN A 80 3.006 -6.028 -10.075 1.00 0.98 H new ATOM 0 HB3 ASN A 80 4.289 -7.190 -10.350 1.00 0.98 H new ATOM 0 HD21 ASN A 80 1.379 -6.751 -11.441 1.00 1.53 H new ATOM 0 HD22 ASN A 80 0.752 -8.402 -11.452 1.00 1.53 H new ATOM 1267 N LEU A 81 4.227 -5.892 -6.499 1.00 0.80 N ATOM 1268 CA LEU A 81 5.017 -4.877 -5.750 1.00 0.88 C ATOM 1269 C LEU A 81 6.466 -5.339 -5.687 1.00 1.17 C ATOM 1270 O LEU A 81 7.387 -4.565 -5.561 1.00 1.25 O ATOM 1271 CB LEU A 81 4.445 -4.723 -4.348 1.00 1.13 C ATOM 1272 CG LEU A 81 5.130 -3.577 -3.598 1.00 1.49 C ATOM 1273 CD1 LEU A 81 4.536 -2.228 -4.014 1.00 1.87 C ATOM 1274 CD2 LEU A 81 4.946 -3.778 -2.100 1.00 2.46 C ATOM 0 H LEU A 81 3.567 -6.412 -5.921 1.00 0.80 H new ATOM 0 HA LEU A 81 4.967 -3.911 -6.252 1.00 0.88 H new ATOM 0 HB2 LEU A 81 3.373 -4.534 -4.408 1.00 1.13 H new ATOM 0 HB3 LEU A 81 4.574 -5.653 -3.795 1.00 1.13 H new ATOM 0 HG LEU A 81 6.192 -3.577 -3.845 1.00 1.49 H new ATOM 0 HD11 LEU A 81 5.036 -1.427 -3.470 1.00 1.87 H new ATOM 0 HD12 LEU A 81 4.678 -2.083 -5.085 1.00 1.87 H new ATOM 0 HD13 LEU A 81 3.471 -2.213 -3.784 1.00 1.87 H new ATOM 0 HD21 LEU A 81 5.432 -2.965 -1.561 1.00 2.46 H new ATOM 0 HD22 LEU A 81 3.882 -3.786 -1.862 1.00 2.46 H new ATOM 0 HD23 LEU A 81 5.392 -4.727 -1.803 1.00 2.46 H new ATOM 1286 N THR A 82 6.635 -6.624 -5.697 1.00 1.41 N ATOM 1287 CA THR A 82 7.973 -7.244 -5.538 1.00 1.79 C ATOM 1288 C THR A 82 9.031 -6.501 -6.352 1.00 1.79 C ATOM 1289 O THR A 82 10.175 -6.421 -5.948 1.00 1.97 O ATOM 1290 CB THR A 82 7.898 -8.680 -6.051 1.00 2.11 C ATOM 1291 OG1 THR A 82 6.842 -9.364 -5.389 1.00 2.13 O ATOM 1292 CG2 THR A 82 9.224 -9.394 -5.780 1.00 2.54 C ATOM 0 H THR A 82 5.875 -7.294 -5.813 1.00 1.41 H new ATOM 0 HA THR A 82 8.252 -7.205 -4.485 1.00 1.79 H new ATOM 0 HB THR A 82 7.708 -8.672 -7.124 1.00 2.11 H new ATOM 0 HG1 THR A 82 6.498 -10.075 -5.969 1.00 2.13 H new ATOM 0 HG21 THR A 82 9.167 -10.419 -6.147 1.00 2.54 H new ATOM 0 HG22 THR A 82 10.031 -8.869 -6.292 1.00 2.54 H new ATOM 0 HG23 THR A 82 9.420 -9.403 -4.708 1.00 2.54 H new ATOM 1300 N GLU A 83 8.695 -5.981 -7.490 1.00 1.69 N ATOM 1301 CA GLU A 83 9.749 -5.291 -8.279 1.00 1.83 C ATOM 1302 C GLU A 83 9.157 -4.269 -9.244 1.00 1.73 C ATOM 1303 O GLU A 83 9.859 -3.409 -9.737 1.00 1.85 O ATOM 1304 CB GLU A 83 10.533 -6.355 -9.056 1.00 2.32 C ATOM 1305 CG GLU A 83 11.734 -5.730 -9.775 1.00 2.54 C ATOM 1306 CD GLU A 83 12.437 -6.802 -10.610 1.00 2.96 C ATOM 1307 OE1 GLU A 83 11.964 -7.926 -10.614 1.00 3.13 O ATOM 1308 OE2 GLU A 83 13.437 -6.480 -11.232 1.00 3.53 O ATOM 0 H GLU A 83 7.763 -5.999 -7.904 1.00 1.69 H new ATOM 0 HA GLU A 83 10.403 -4.746 -7.599 1.00 1.83 H new ATOM 0 HB2 GLU A 83 10.876 -7.131 -8.372 1.00 2.32 H new ATOM 0 HB3 GLU A 83 9.879 -6.837 -9.783 1.00 2.32 H new ATOM 0 HG2 GLU A 83 11.404 -4.912 -10.416 1.00 2.54 H new ATOM 0 HG3 GLU A 83 12.427 -5.306 -9.048 1.00 2.54 H new ATOM 1315 N TYR A 84 7.884 -4.293 -9.511 1.00 1.58 N ATOM 1316 CA TYR A 84 7.384 -3.246 -10.433 1.00 1.68 C ATOM 1317 C TYR A 84 7.666 -1.907 -9.743 1.00 1.53 C ATOM 1318 O TYR A 84 8.039 -0.928 -10.359 1.00 1.85 O ATOM 1319 CB TYR A 84 5.889 -3.404 -10.696 1.00 1.54 C ATOM 1320 CG TYR A 84 5.467 -2.440 -11.792 1.00 1.85 C ATOM 1321 CD1 TYR A 84 5.624 -2.824 -13.131 1.00 2.10 C ATOM 1322 CD2 TYR A 84 4.928 -1.183 -11.492 1.00 2.50 C ATOM 1323 CE1 TYR A 84 5.245 -1.956 -14.162 1.00 2.45 C ATOM 1324 CE2 TYR A 84 4.550 -0.316 -12.524 1.00 2.86 C ATOM 1325 CZ TYR A 84 4.708 -0.702 -13.858 1.00 2.63 C ATOM 1326 OH TYR A 84 4.335 0.155 -14.874 1.00 3.06 O ATOM 0 H TYR A 84 7.199 -4.957 -9.151 1.00 1.58 H new ATOM 0 HA TYR A 84 7.878 -3.315 -11.402 1.00 1.68 H new ATOM 0 HB2 TYR A 84 5.667 -4.429 -10.992 1.00 1.54 H new ATOM 0 HB3 TYR A 84 5.325 -3.206 -9.785 1.00 1.54 H new ATOM 0 HD1 TYR A 84 6.039 -3.793 -13.368 1.00 2.10 H new ATOM 0 HD2 TYR A 84 4.804 -0.882 -10.462 1.00 2.50 H new ATOM 0 HE1 TYR A 84 5.368 -2.255 -15.192 1.00 2.45 H new ATOM 0 HE2 TYR A 84 4.135 0.653 -12.289 1.00 2.86 H new ATOM 0 HH TYR A 84 3.980 0.983 -14.489 1.00 3.06 H new ATOM 1336 N MET A 85 7.411 -1.883 -8.451 1.00 1.09 N ATOM 1337 CA MET A 85 7.574 -0.615 -7.677 1.00 1.02 C ATOM 1338 C MET A 85 8.777 -0.653 -6.719 1.00 0.89 C ATOM 1339 O MET A 85 9.915 -0.754 -7.131 1.00 1.10 O ATOM 1340 CB MET A 85 6.296 -0.331 -6.879 1.00 0.95 C ATOM 1341 CG MET A 85 5.137 -0.204 -7.876 1.00 1.24 C ATOM 1342 SD MET A 85 3.622 0.404 -7.090 1.00 1.93 S ATOM 1343 CE MET A 85 4.035 2.169 -7.036 1.00 2.45 C ATOM 0 H MET A 85 7.098 -2.686 -7.905 1.00 1.09 H new ATOM 0 HA MET A 85 7.760 0.180 -8.399 1.00 1.02 H new ATOM 0 HB2 MET A 85 6.103 -1.135 -6.169 1.00 0.95 H new ATOM 0 HB3 MET A 85 6.404 0.586 -6.300 1.00 0.95 H new ATOM 0 HG2 MET A 85 5.424 0.474 -8.680 1.00 1.24 H new ATOM 0 HG3 MET A 85 4.944 -1.175 -8.331 1.00 1.24 H new ATOM 0 HE1 MET A 85 3.535 2.634 -6.186 1.00 2.45 H new ATOM 0 HE2 MET A 85 5.113 2.287 -6.931 1.00 2.45 H new ATOM 0 HE3 MET A 85 3.705 2.648 -7.958 1.00 2.45 H new ATOM 1353 N LYS A 86 8.515 -0.485 -5.446 1.00 0.69 N ATOM 1354 CA LYS A 86 9.612 -0.415 -4.435 1.00 0.66 C ATOM 1355 C LYS A 86 10.562 0.718 -4.793 1.00 0.77 C ATOM 1356 O LYS A 86 11.748 0.647 -4.538 1.00 0.83 O ATOM 1357 CB LYS A 86 10.393 -1.716 -4.366 1.00 0.81 C ATOM 1358 CG LYS A 86 9.496 -2.799 -3.814 1.00 0.90 C ATOM 1359 CD LYS A 86 10.320 -4.068 -3.667 1.00 1.28 C ATOM 1360 CE LYS A 86 9.447 -5.192 -3.129 1.00 1.33 C ATOM 1361 NZ LYS A 86 10.135 -6.497 -3.344 1.00 1.49 N ATOM 0 H LYS A 86 7.575 -0.392 -5.061 1.00 0.69 H new ATOM 0 HA LYS A 86 9.158 -0.237 -3.460 1.00 0.66 H new ATOM 0 HB2 LYS A 86 10.752 -1.993 -5.357 1.00 0.81 H new ATOM 0 HB3 LYS A 86 11.271 -1.595 -3.732 1.00 0.81 H new ATOM 0 HG2 LYS A 86 9.086 -2.498 -2.850 1.00 0.90 H new ATOM 0 HG3 LYS A 86 8.651 -2.969 -4.481 1.00 0.90 H new ATOM 0 HD2 LYS A 86 10.741 -4.352 -4.631 1.00 1.28 H new ATOM 0 HD3 LYS A 86 11.158 -3.892 -2.993 1.00 1.28 H new ATOM 0 HE2 LYS A 86 9.253 -5.041 -2.067 1.00 1.33 H new ATOM 0 HE3 LYS A 86 8.480 -5.190 -3.633 1.00 1.33 H new ATOM 0 HZ1 LYS A 86 9.657 -7.237 -2.791 1.00 1.49 H new ATOM 0 HZ2 LYS A 86 10.103 -6.744 -4.354 1.00 1.49 H new ATOM 0 HZ3 LYS A 86 11.126 -6.422 -3.038 1.00 1.49 H new ATOM 1375 N GLU A 87 10.058 1.772 -5.357 1.00 0.95 N ATOM 1376 CA GLU A 87 10.966 2.908 -5.693 1.00 1.19 C ATOM 1377 C GLU A 87 11.480 3.537 -4.397 1.00 1.21 C ATOM 1378 O GLU A 87 12.594 3.999 -4.332 1.00 1.60 O ATOM 1379 CB GLU A 87 10.204 3.958 -6.504 1.00 1.64 C ATOM 1380 CG GLU A 87 9.782 3.361 -7.847 1.00 1.85 C ATOM 1381 CD GLU A 87 9.079 4.432 -8.684 1.00 2.10 C ATOM 1382 OE1 GLU A 87 8.807 5.492 -8.145 1.00 2.69 O ATOM 1383 OE2 GLU A 87 8.826 4.175 -9.850 1.00 2.30 O ATOM 0 H GLU A 87 9.076 1.902 -5.599 1.00 0.95 H new ATOM 0 HA GLU A 87 11.805 2.541 -6.284 1.00 1.19 H new ATOM 0 HB2 GLU A 87 9.326 4.293 -5.951 1.00 1.64 H new ATOM 0 HB3 GLU A 87 10.832 4.834 -6.665 1.00 1.64 H new ATOM 0 HG2 GLU A 87 10.655 2.983 -8.379 1.00 1.85 H new ATOM 0 HG3 GLU A 87 9.115 2.514 -7.687 1.00 1.85 H new ATOM 1390 N LYS A 88 10.606 3.601 -3.409 1.00 1.46 N ATOM 1391 CA LYS A 88 10.895 4.259 -2.079 1.00 1.87 C ATOM 1392 C LYS A 88 10.251 5.634 -2.120 1.00 1.92 C ATOM 1393 O LYS A 88 9.165 5.793 -2.642 1.00 2.39 O ATOM 1394 CB LYS A 88 12.396 4.409 -1.758 1.00 2.33 C ATOM 1395 CG LYS A 88 13.058 3.028 -1.650 1.00 2.85 C ATOM 1396 CD LYS A 88 14.553 3.198 -1.352 1.00 3.63 C ATOM 1397 CE LYS A 88 14.750 3.788 0.050 1.00 4.34 C ATOM 1398 NZ LYS A 88 16.092 3.396 0.566 1.00 5.00 N ATOM 0 H LYS A 88 9.667 3.208 -3.473 1.00 1.46 H new ATOM 0 HA LYS A 88 10.492 3.621 -1.293 1.00 1.87 H new ATOM 0 HB2 LYS A 88 12.885 4.994 -2.537 1.00 2.33 H new ATOM 0 HB3 LYS A 88 12.522 4.955 -0.823 1.00 2.33 H new ATOM 0 HG2 LYS A 88 12.583 2.446 -0.860 1.00 2.85 H new ATOM 0 HG3 LYS A 88 12.922 2.474 -2.579 1.00 2.85 H new ATOM 0 HD2 LYS A 88 15.057 2.234 -1.423 1.00 3.63 H new ATOM 0 HD3 LYS A 88 15.008 3.851 -2.097 1.00 3.63 H new ATOM 0 HE2 LYS A 88 14.664 4.874 0.015 1.00 4.34 H new ATOM 0 HE3 LYS A 88 13.970 3.428 0.721 1.00 4.34 H new ATOM 0 HZ1 LYS A 88 16.228 3.795 1.517 1.00 5.00 H new ATOM 0 HZ2 LYS A 88 16.157 2.359 0.613 1.00 5.00 H new ATOM 0 HZ3 LYS A 88 16.829 3.760 -0.071 1.00 5.00 H new ATOM 1412 N ILE A 89 10.928 6.632 -1.637 1.00 1.73 N ATOM 1413 CA ILE A 89 10.385 8.011 -1.713 1.00 2.05 C ATOM 1414 C ILE A 89 11.244 8.776 -2.712 1.00 2.29 C ATOM 1415 O ILE A 89 11.193 8.521 -3.899 1.00 2.82 O ATOM 1416 CB ILE A 89 10.377 8.674 -0.321 1.00 2.17 C ATOM 1417 CG1 ILE A 89 9.863 10.127 -0.435 1.00 2.64 C ATOM 1418 CG2 ILE A 89 11.781 8.654 0.290 1.00 2.65 C ATOM 1419 CD1 ILE A 89 9.460 10.660 0.943 1.00 3.26 C ATOM 0 H ILE A 89 11.841 6.551 -1.189 1.00 1.73 H new ATOM 0 HA ILE A 89 9.348 8.008 -2.048 1.00 2.05 H new ATOM 0 HB ILE A 89 9.710 8.112 0.332 1.00 2.17 H new ATOM 0 HG12 ILE A 89 10.638 10.761 -0.865 1.00 2.64 H new ATOM 0 HG13 ILE A 89 9.009 10.165 -1.111 1.00 2.64 H new ATOM 0 HG21 ILE A 89 11.757 9.126 1.272 1.00 2.65 H new ATOM 0 HG22 ILE A 89 12.119 7.623 0.391 1.00 2.65 H new ATOM 0 HG23 ILE A 89 12.468 9.199 -0.358 1.00 2.65 H new ATOM 0 HD11 ILE A 89 9.100 11.684 0.846 1.00 3.26 H new ATOM 0 HD12 ILE A 89 8.669 10.035 1.358 1.00 3.26 H new ATOM 0 HD13 ILE A 89 10.324 10.640 1.608 1.00 3.26 H new ATOM 1431 N LYS A 90 12.042 9.685 -2.252 1.00 2.27 N ATOM 1432 CA LYS A 90 12.923 10.440 -3.185 1.00 2.78 C ATOM 1433 C LYS A 90 14.321 10.608 -2.577 1.00 3.18 C ATOM 1434 O LYS A 90 14.460 11.096 -1.472 1.00 3.57 O ATOM 1435 CB LYS A 90 12.297 11.813 -3.426 1.00 3.20 C ATOM 1436 CG LYS A 90 10.933 11.629 -4.097 1.00 3.26 C ATOM 1437 CD LYS A 90 10.347 12.997 -4.455 1.00 4.15 C ATOM 1438 CE LYS A 90 8.935 12.818 -5.015 1.00 4.47 C ATOM 1439 NZ LYS A 90 7.946 13.409 -4.069 1.00 4.39 N ATOM 0 H LYS A 90 12.127 9.943 -1.269 1.00 2.27 H new ATOM 0 HA LYS A 90 13.021 9.896 -4.125 1.00 2.78 H new ATOM 0 HB2 LYS A 90 12.183 12.346 -2.482 1.00 3.20 H new ATOM 0 HB3 LYS A 90 12.948 12.418 -4.057 1.00 3.20 H new ATOM 0 HG2 LYS A 90 11.038 11.021 -4.995 1.00 3.26 H new ATOM 0 HG3 LYS A 90 10.257 11.096 -3.429 1.00 3.26 H new ATOM 0 HD2 LYS A 90 10.321 13.635 -3.572 1.00 4.15 H new ATOM 0 HD3 LYS A 90 10.980 13.495 -5.189 1.00 4.15 H new ATOM 0 HE2 LYS A 90 8.855 13.300 -5.989 1.00 4.47 H new ATOM 0 HE3 LYS A 90 8.723 11.759 -5.165 1.00 4.47 H new ATOM 0 HZ1 LYS A 90 6.986 13.287 -4.450 1.00 4.39 H new ATOM 0 HZ2 LYS A 90 8.017 12.930 -3.149 1.00 4.39 H new ATOM 0 HZ3 LYS A 90 8.144 14.423 -3.948 1.00 4.39 H new ATOM 1453 N ILE A 91 15.354 10.299 -3.320 1.00 3.41 N ATOM 1454 CA ILE A 91 16.742 10.546 -2.818 1.00 3.92 C ATOM 1455 C ILE A 91 17.507 11.302 -3.906 1.00 3.90 C ATOM 1456 O ILE A 91 17.510 10.869 -5.042 1.00 4.10 O ATOM 1457 CB ILE A 91 17.436 9.212 -2.534 1.00 4.47 C ATOM 1458 CG1 ILE A 91 18.862 9.476 -2.041 1.00 5.08 C ATOM 1459 CG2 ILE A 91 17.491 8.376 -3.815 1.00 4.79 C ATOM 1460 CD1 ILE A 91 19.426 8.205 -1.405 1.00 5.67 C ATOM 0 H ILE A 91 15.297 9.887 -4.251 1.00 3.41 H new ATOM 0 HA ILE A 91 16.714 11.127 -1.896 1.00 3.92 H new ATOM 0 HB ILE A 91 16.877 8.670 -1.771 1.00 4.47 H new ATOM 0 HG12 ILE A 91 19.493 9.790 -2.872 1.00 5.08 H new ATOM 0 HG13 ILE A 91 18.862 10.289 -1.315 1.00 5.08 H new ATOM 0 HG21 ILE A 91 17.986 7.427 -3.609 1.00 4.79 H new ATOM 0 HG22 ILE A 91 16.478 8.188 -4.170 1.00 4.79 H new ATOM 0 HG23 ILE A 91 18.049 8.918 -4.579 1.00 4.79 H new ATOM 0 HD11 ILE A 91 20.441 8.393 -1.054 1.00 5.67 H new ATOM 0 HD12 ILE A 91 18.800 7.911 -0.563 1.00 5.67 H new ATOM 0 HD13 ILE A 91 19.440 7.404 -2.144 1.00 5.67 H new ATOM 1472 N ARG A 92 18.169 12.398 -3.604 1.00 4.10 N ATOM 1473 CA ARG A 92 18.932 13.097 -4.687 1.00 4.36 C ATOM 1474 C ARG A 92 20.321 13.555 -4.250 1.00 5.07 C ATOM 1475 O ARG A 92 20.504 14.178 -3.223 1.00 5.62 O ATOM 1476 CB ARG A 92 18.147 14.325 -5.152 1.00 4.67 C ATOM 1477 CG ARG A 92 16.866 13.876 -5.842 1.00 4.60 C ATOM 1478 CD ARG A 92 16.133 15.095 -6.406 1.00 5.13 C ATOM 1479 NE ARG A 92 15.866 16.066 -5.308 1.00 5.63 N ATOM 1480 CZ ARG A 92 14.851 15.884 -4.509 1.00 6.06 C ATOM 1481 NH1 ARG A 92 14.072 14.849 -4.670 1.00 6.10 N ATOM 1482 NH2 ARG A 92 14.615 16.736 -3.549 1.00 6.75 N ATOM 0 H ARG A 92 18.213 12.828 -2.680 1.00 4.10 H new ATOM 0 HA ARG A 92 19.060 12.372 -5.491 1.00 4.36 H new ATOM 0 HB2 ARG A 92 17.910 14.962 -4.300 1.00 4.67 H new ATOM 0 HB3 ARG A 92 18.752 14.919 -5.836 1.00 4.67 H new ATOM 0 HG2 ARG A 92 17.099 13.176 -6.644 1.00 4.60 H new ATOM 0 HG3 ARG A 92 16.226 13.349 -5.135 1.00 4.60 H new ATOM 0 HD2 ARG A 92 16.734 15.566 -7.184 1.00 5.13 H new ATOM 0 HD3 ARG A 92 15.196 14.787 -6.869 1.00 5.13 H new ATOM 0 HE ARG A 92 16.477 16.873 -5.181 1.00 5.63 H new ATOM 0 HH11 ARG A 92 14.257 14.183 -5.420 1.00 6.10 H new ATOM 0 HH12 ARG A 92 13.278 14.706 -4.046 1.00 6.10 H new ATOM 0 HH21 ARG A 92 15.224 17.544 -3.423 1.00 6.75 H new ATOM 0 HH22 ARG A 92 13.821 16.594 -2.924 1.00 6.75 H new ATOM 1496 N MET A 93 21.286 13.287 -5.079 1.00 5.38 N ATOM 1497 CA MET A 93 22.678 13.728 -4.820 1.00 6.31 C ATOM 1498 C MET A 93 23.400 13.754 -6.176 1.00 6.69 C ATOM 1499 O MET A 93 23.931 14.776 -6.564 1.00 7.36 O ATOM 1500 CB MET A 93 23.385 12.800 -3.821 1.00 6.91 C ATOM 1501 CG MET A 93 23.754 13.593 -2.566 1.00 7.73 C ATOM 1502 SD MET A 93 24.679 12.529 -1.431 1.00 8.74 S ATOM 1503 CE MET A 93 23.478 12.544 -0.076 1.00 9.50 C ATOM 0 H MET A 93 21.163 12.767 -5.948 1.00 5.38 H new ATOM 0 HA MET A 93 22.687 14.718 -4.365 1.00 6.31 H new ATOM 0 HB2 MET A 93 22.734 11.966 -3.559 1.00 6.91 H new ATOM 0 HB3 MET A 93 24.281 12.376 -4.273 1.00 6.91 H new ATOM 0 HG2 MET A 93 24.353 14.463 -2.835 1.00 7.73 H new ATOM 0 HG3 MET A 93 22.852 13.965 -2.080 1.00 7.73 H new ATOM 0 HE1 MET A 93 23.852 11.937 0.749 1.00 9.50 H new ATOM 0 HE2 MET A 93 23.328 13.568 0.266 1.00 9.50 H new ATOM 0 HE3 MET A 93 22.530 12.136 -0.426 1.00 9.50 H new ATOM 1513 N PRO A 94 23.374 12.669 -6.936 1.00 6.57 N ATOM 1514 CA PRO A 94 23.991 12.655 -8.293 1.00 7.22 C ATOM 1515 C PRO A 94 23.311 13.688 -9.195 1.00 7.14 C ATOM 1516 O PRO A 94 23.865 14.153 -10.171 1.00 7.68 O ATOM 1517 CB PRO A 94 23.743 11.238 -8.826 1.00 7.33 C ATOM 1518 CG PRO A 94 23.379 10.413 -7.640 1.00 6.87 C ATOM 1519 CD PRO A 94 22.762 11.362 -6.616 1.00 6.18 C ATOM 0 HA PRO A 94 25.052 12.904 -8.266 1.00 7.22 H new ATOM 0 HB2 PRO A 94 22.942 11.234 -9.565 1.00 7.33 H new ATOM 0 HB3 PRO A 94 24.633 10.844 -9.317 1.00 7.33 H new ATOM 0 HG2 PRO A 94 22.673 9.630 -7.916 1.00 6.87 H new ATOM 0 HG3 PRO A 94 24.259 9.919 -7.228 1.00 6.87 H new ATOM 0 HD2 PRO A 94 21.676 11.396 -6.705 1.00 6.18 H new ATOM 0 HD3 PRO A 94 22.989 11.053 -5.596 1.00 6.18 H new ATOM 1527 N THR A 95 22.104 14.052 -8.844 1.00 6.80 N ATOM 1528 CA THR A 95 21.354 15.066 -9.638 1.00 7.13 C ATOM 1529 C THR A 95 21.940 16.446 -9.351 1.00 7.25 C ATOM 1530 O THR A 95 21.839 17.358 -10.147 1.00 7.69 O ATOM 1531 CB THR A 95 19.878 15.044 -9.238 1.00 7.31 C ATOM 1532 OG1 THR A 95 19.749 15.470 -7.889 1.00 7.52 O ATOM 1533 CG2 THR A 95 19.330 13.623 -9.381 1.00 7.21 C ATOM 0 H THR A 95 21.604 13.686 -8.034 1.00 6.80 H new ATOM 0 HA THR A 95 21.438 14.840 -10.701 1.00 7.13 H new ATOM 0 HB THR A 95 19.315 15.715 -9.887 1.00 7.31 H new ATOM 0 HG1 THR A 95 18.882 15.910 -7.766 1.00 7.52 H new ATOM 0 HG21 THR A 95 18.278 13.608 -9.096 1.00 7.21 H new ATOM 0 HG22 THR A 95 19.430 13.297 -10.416 1.00 7.21 H new ATOM 0 HG23 THR A 95 19.891 12.950 -8.733 1.00 7.21 H new ATOM 1541 N LEU A 96 22.555 16.595 -8.211 1.00 7.17 N ATOM 1542 CA LEU A 96 23.159 17.909 -7.850 1.00 7.64 C ATOM 1543 C LEU A 96 24.646 17.898 -8.212 1.00 8.02 C ATOM 1544 O LEU A 96 24.961 18.224 -9.344 1.00 8.37 O ATOM 1545 CB LEU A 96 23.010 18.146 -6.342 1.00 7.84 C ATOM 1546 CG LEU A 96 21.540 18.016 -5.932 1.00 8.03 C ATOM 1547 CD1 LEU A 96 21.397 18.363 -4.448 1.00 8.48 C ATOM 1548 CD2 LEU A 96 20.683 18.978 -6.757 1.00 8.53 C ATOM 1549 OXT LEU A 96 25.442 17.564 -7.351 1.00 8.19 O ATOM 0 H LEU A 96 22.666 15.861 -7.511 1.00 7.17 H new ATOM 0 HA LEU A 96 22.651 18.704 -8.396 1.00 7.64 H new ATOM 0 HB2 LEU A 96 23.614 17.425 -5.791 1.00 7.84 H new ATOM 0 HB3 LEU A 96 23.382 19.138 -6.083 1.00 7.84 H new ATOM 0 HG LEU A 96 21.207 16.993 -6.109 1.00 8.03 H new ATOM 0 HD11 LEU A 96 20.352 18.272 -4.152 1.00 8.48 H new ATOM 0 HD12 LEU A 96 22.003 17.679 -3.854 1.00 8.48 H new ATOM 0 HD13 LEU A 96 21.734 19.386 -4.279 1.00 8.48 H new ATOM 0 HD21 LEU A 96 19.639 18.881 -6.461 1.00 8.53 H new ATOM 0 HD22 LEU A 96 21.015 20.001 -6.584 1.00 8.53 H new ATOM 0 HD23 LEU A 96 20.783 18.738 -7.816 1.00 8.53 H new TER 1561 LEU A 96