USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 914 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 Single : A 1 ASP N :NH3+ 178:sc= -0.375 (180deg=-0.385) USER MOD Single : A 8 HIS : no HD1:sc= -0.0552 X(o=-0.055,f=-0.39) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -42:sc= 0.316 USER MOD Single : A 16 ASN : amide:sc= -0.33 K(o=-0.33,f=-3.5!) USER MOD Single : A 24 HIS : no HD1:sc= -1.65! K(o=-1.6!,f=-0.69) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-0.35) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -139:sc= -2.83! USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0883) USER MOD Single : A 52 LYS NZ :NH3+ 176:sc=-0.00845 (180deg=-0.0135) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.768 USER MOD Single : A 64 LYS NZ :NH3+ -124:sc= -0.166 (180deg=-1.17) USER MOD Single : A 68 THR OG1 : rot -35:sc= 1.07 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot -161:sc= -0.999 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.975 USER MOD Single : A 84 THR OG1 : rot -63:sc= 0.235 USER MOD Single : A 86 LYS NZ :NH3+ 162:sc= 0.093 (180deg=0.066) USER MOD Single : A 90 ASN : amide:sc= -0.0256 X(o=-0.026,f=-0.026) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= -1.44! USER MOD Single : A 100 THR OG1 : rot -62:sc= 0.176 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -172:sc= -1.47! USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -4.409 11.152 18.629 1.00 7.08 N ATOM 2 CA ASP A 1 -3.209 10.969 19.495 1.00 6.65 C ATOM 3 C ASP A 1 -2.186 10.068 18.799 1.00 5.96 C ATOM 4 O ASP A 1 -0.993 10.270 18.902 1.00 6.16 O ATOM 5 CB ASP A 1 -3.736 10.302 20.766 1.00 7.15 C ATOM 6 CG ASP A 1 -4.279 8.912 20.427 1.00 7.15 C ATOM 7 OD1 ASP A 1 -3.506 8.095 19.955 1.00 7.22 O ATOM 8 OD2 ASP A 1 -5.458 8.690 20.646 1.00 7.37 O ATOM 0 H1 ASP A 1 -5.110 11.737 19.126 1.00 7.08 H new ATOM 0 H2 ASP A 1 -4.130 11.622 17.744 1.00 7.08 H new ATOM 0 H3 ASP A 1 -4.825 10.224 18.411 1.00 7.08 H new ATOM 0 HA ASP A 1 -2.706 11.912 19.709 1.00 6.65 H new ATOM 0 HB2 ASP A 1 -2.938 10.222 21.505 1.00 7.15 H new ATOM 0 HB3 ASP A 1 -4.522 10.912 21.210 1.00 7.15 H new ATOM 15 N ALA A 2 -2.647 9.077 18.090 1.00 5.41 N ATOM 16 CA ALA A 2 -1.705 8.162 17.384 1.00 4.78 C ATOM 17 C ALA A 2 -2.336 7.659 16.078 1.00 3.77 C ATOM 18 O ALA A 2 -3.526 7.418 16.025 1.00 3.42 O ATOM 19 CB ALA A 2 -1.478 7.002 18.354 1.00 5.00 C ATOM 0 H ALA A 2 -3.636 8.860 17.968 1.00 5.41 H new ATOM 0 HA ALA A 2 -0.771 8.656 17.115 1.00 4.78 H new ATOM 0 HB1 ALA A 2 -0.793 6.282 17.906 1.00 5.00 H new ATOM 0 HB2 ALA A 2 -1.050 7.382 19.282 1.00 5.00 H new ATOM 0 HB3 ALA A 2 -2.429 6.514 18.566 1.00 5.00 H new ATOM 25 N PRO A 3 -1.519 7.514 15.063 1.00 3.56 N ATOM 26 CA PRO A 3 -2.023 7.036 13.751 1.00 2.78 C ATOM 27 C PRO A 3 -2.353 5.542 13.815 1.00 2.04 C ATOM 28 O PRO A 3 -1.652 4.768 14.437 1.00 2.31 O ATOM 29 CB PRO A 3 -0.859 7.295 12.801 1.00 3.38 C ATOM 30 CG PRO A 3 0.358 7.303 13.671 1.00 4.09 C ATOM 31 CD PRO A 3 -0.072 7.781 15.033 1.00 4.30 C ATOM 0 HA PRO A 3 -2.940 7.536 13.439 1.00 2.78 H new ATOM 0 HB2 PRO A 3 -0.793 6.520 12.038 1.00 3.38 H new ATOM 0 HB3 PRO A 3 -0.978 8.245 12.281 1.00 3.38 H new ATOM 0 HG2 PRO A 3 0.793 6.306 13.733 1.00 4.09 H new ATOM 0 HG3 PRO A 3 1.123 7.960 13.257 1.00 4.09 H new ATOM 0 HD2 PRO A 3 0.449 7.246 15.827 1.00 4.30 H new ATOM 0 HD3 PRO A 3 0.141 8.841 15.170 1.00 4.30 H new ATOM 39 N GLU A 4 -3.414 5.132 13.176 1.00 1.37 N ATOM 40 CA GLU A 4 -3.787 3.689 13.200 1.00 1.14 C ATOM 41 C GLU A 4 -2.759 2.861 12.424 1.00 0.89 C ATOM 42 O GLU A 4 -2.121 3.342 11.508 1.00 1.30 O ATOM 43 CB GLU A 4 -5.154 3.622 12.518 1.00 1.67 C ATOM 44 CG GLU A 4 -5.768 2.239 12.739 1.00 2.39 C ATOM 45 CD GLU A 4 -4.785 1.360 13.515 1.00 2.65 C ATOM 46 OE1 GLU A 4 -4.534 1.664 14.670 1.00 3.05 O ATOM 47 OE2 GLU A 4 -4.300 0.400 12.941 1.00 3.09 O ATOM 0 H GLU A 4 -4.039 5.733 12.639 1.00 1.37 H new ATOM 0 HA GLU A 4 -3.816 3.288 14.213 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -5.812 4.392 12.922 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -5.050 3.819 11.451 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -6.704 2.329 13.290 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -6.006 1.778 11.780 1.00 2.39 H new ATOM 54 N GLU A 5 -2.594 1.618 12.785 1.00 1.00 N ATOM 55 CA GLU A 5 -1.610 0.753 12.072 1.00 0.81 C ATOM 56 C GLU A 5 -1.867 -0.718 12.413 1.00 0.87 C ATOM 57 O GLU A 5 -2.355 -1.040 13.478 1.00 1.15 O ATOM 58 CB GLU A 5 -0.243 1.198 12.591 1.00 0.95 C ATOM 59 CG GLU A 5 -0.166 0.958 14.099 1.00 1.46 C ATOM 60 CD GLU A 5 1.102 1.608 14.657 1.00 1.82 C ATOM 61 OE1 GLU A 5 1.049 2.784 14.976 1.00 2.19 O ATOM 62 OE2 GLU A 5 2.103 0.919 14.754 1.00 2.50 O ATOM 0 H GLU A 5 -3.099 1.162 13.545 1.00 1.00 H new ATOM 0 HA GLU A 5 -1.680 0.846 10.988 1.00 0.81 H new ATOM 0 HB2 GLU A 5 0.548 0.646 12.083 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -0.085 2.254 12.372 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -1.046 1.374 14.589 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -0.161 -0.112 14.308 1.00 1.46 H new ATOM 69 N GLU A 6 -1.554 -1.613 11.516 1.00 0.79 N ATOM 70 CA GLU A 6 -1.794 -3.055 11.795 1.00 1.04 C ATOM 71 C GLU A 6 -0.487 -3.847 11.706 1.00 1.10 C ATOM 72 O GLU A 6 0.234 -3.767 10.731 1.00 1.76 O ATOM 73 CB GLU A 6 -2.764 -3.500 10.702 1.00 1.28 C ATOM 74 CG GLU A 6 -4.194 -3.137 11.108 1.00 1.68 C ATOM 75 CD GLU A 6 -4.554 -3.852 12.411 1.00 1.97 C ATOM 76 OE1 GLU A 6 -4.900 -5.020 12.347 1.00 2.24 O ATOM 77 OE2 GLU A 6 -4.479 -3.219 13.451 1.00 2.63 O ATOM 0 H GLU A 6 -1.144 -1.408 10.605 1.00 0.79 H new ATOM 0 HA GLU A 6 -2.190 -3.222 12.797 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -2.510 -3.019 9.758 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -2.682 -4.575 10.544 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -4.284 -2.058 11.236 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -4.890 -3.423 10.320 1.00 1.68 H new ATOM 84 N ASP A 7 -0.182 -4.615 12.718 1.00 1.27 N ATOM 85 CA ASP A 7 1.074 -5.422 12.703 1.00 1.35 C ATOM 86 C ASP A 7 2.287 -4.524 12.429 1.00 1.28 C ATOM 87 O ASP A 7 2.899 -4.005 13.342 1.00 2.01 O ATOM 88 CB ASP A 7 0.875 -6.443 11.580 1.00 1.53 C ATOM 89 CG ASP A 7 -0.172 -7.472 12.008 1.00 1.92 C ATOM 90 OD1 ASP A 7 -1.207 -7.063 12.508 1.00 2.36 O ATOM 91 OD2 ASP A 7 0.078 -8.653 11.830 1.00 2.57 O ATOM 0 H ASP A 7 -0.751 -4.719 13.558 1.00 1.27 H new ATOM 0 HA ASP A 7 1.265 -5.909 13.659 1.00 1.35 H new ATOM 0 HB2 ASP A 7 0.554 -5.939 10.668 1.00 1.53 H new ATOM 0 HB3 ASP A 7 1.818 -6.940 11.354 1.00 1.53 H new ATOM 96 N HIS A 8 2.645 -4.330 11.185 1.00 1.21 N ATOM 97 CA HIS A 8 3.819 -3.462 10.880 1.00 1.11 C ATOM 98 C HIS A 8 3.511 -2.524 9.704 1.00 0.81 C ATOM 99 O HIS A 8 4.375 -1.818 9.225 1.00 0.87 O ATOM 100 CB HIS A 8 4.941 -4.431 10.512 1.00 1.32 C ATOM 101 CG HIS A 8 5.490 -5.058 11.764 1.00 1.61 C ATOM 102 ND1 HIS A 8 5.007 -6.255 12.264 1.00 2.30 N ATOM 103 CD2 HIS A 8 6.481 -4.663 12.629 1.00 2.02 C ATOM 104 CE1 HIS A 8 5.700 -6.539 13.380 1.00 2.53 C ATOM 105 NE2 HIS A 8 6.612 -5.601 13.649 1.00 2.33 N ATOM 0 H HIS A 8 2.178 -4.733 10.373 1.00 1.21 H new ATOM 0 HA HIS A 8 4.085 -2.825 11.724 1.00 1.11 H new ATOM 0 HB2 HIS A 8 4.564 -5.203 9.841 1.00 1.32 H new ATOM 0 HB3 HIS A 8 5.732 -3.903 9.979 1.00 1.32 H new ATOM 0 HD2 HIS A 8 7.069 -3.762 12.532 1.00 2.02 H new ATOM 0 HE1 HIS A 8 5.539 -7.419 13.986 1.00 2.53 H new ATOM 0 HE2 HIS A 8 7.264 -5.577 14.433 1.00 2.33 H new ATOM 113 N VAL A 9 2.290 -2.505 9.236 1.00 0.69 N ATOM 114 CA VAL A 9 1.943 -1.604 8.096 1.00 0.49 C ATOM 115 C VAL A 9 0.828 -0.650 8.525 1.00 0.41 C ATOM 116 O VAL A 9 0.264 -0.785 9.594 1.00 0.54 O ATOM 117 CB VAL A 9 1.459 -2.517 6.959 1.00 0.68 C ATOM 118 CG1 VAL A 9 1.461 -1.729 5.646 1.00 0.88 C ATOM 119 CG2 VAL A 9 2.384 -3.729 6.810 1.00 0.89 C ATOM 0 H VAL A 9 1.520 -3.072 9.592 1.00 0.69 H new ATOM 0 HA VAL A 9 2.795 -1.003 7.778 1.00 0.49 H new ATOM 0 HB VAL A 9 0.453 -2.864 7.194 1.00 0.68 H new ATOM 0 HG11 VAL A 9 1.118 -2.372 4.835 1.00 0.88 H new ATOM 0 HG12 VAL A 9 0.794 -0.871 5.735 1.00 0.88 H new ATOM 0 HG13 VAL A 9 2.472 -1.382 5.431 1.00 0.88 H new ATOM 0 HG21 VAL A 9 2.025 -4.364 6.000 1.00 0.89 H new ATOM 0 HG22 VAL A 9 3.395 -3.390 6.584 1.00 0.89 H new ATOM 0 HG23 VAL A 9 2.392 -4.297 7.740 1.00 0.89 H new ATOM 129 N LEU A 10 0.505 0.315 7.711 1.00 0.41 N ATOM 130 CA LEU A 10 -0.574 1.271 8.093 1.00 0.54 C ATOM 131 C LEU A 10 -1.920 0.836 7.530 1.00 0.42 C ATOM 132 O LEU A 10 -2.083 -0.241 6.990 1.00 0.59 O ATOM 133 CB LEU A 10 -0.170 2.609 7.479 1.00 0.83 C ATOM 134 CG LEU A 10 -0.098 3.677 8.573 1.00 0.96 C ATOM 135 CD1 LEU A 10 1.259 4.377 8.508 1.00 1.49 C ATOM 136 CD2 LEU A 10 -1.216 4.699 8.357 1.00 1.30 C ATOM 0 H LEU A 10 0.938 0.484 6.803 1.00 0.41 H new ATOM 0 HA LEU A 10 -0.684 1.324 9.176 1.00 0.54 H new ATOM 0 HB2 LEU A 10 0.797 2.516 6.984 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -0.892 2.903 6.717 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.218 3.211 9.551 1.00 0.96 H new ATOM 0 HD11 LEU A 10 1.313 5.138 9.286 1.00 1.49 H new ATOM 0 HD12 LEU A 10 2.053 3.646 8.660 1.00 1.49 H new ATOM 0 HD13 LEU A 10 1.380 4.847 7.532 1.00 1.49 H new ATOM 0 HD21 LEU A 10 -1.167 5.461 9.135 1.00 1.30 H new ATOM 0 HD22 LEU A 10 -1.096 5.169 7.381 1.00 1.30 H new ATOM 0 HD23 LEU A 10 -2.182 4.196 8.401 1.00 1.30 H new ATOM 148 N VAL A 11 -2.877 1.697 7.657 1.00 0.54 N ATOM 149 CA VAL A 11 -4.245 1.406 7.144 1.00 0.46 C ATOM 150 C VAL A 11 -4.946 2.723 6.814 1.00 0.43 C ATOM 151 O VAL A 11 -4.804 3.701 7.521 1.00 0.54 O ATOM 152 CB VAL A 11 -4.959 0.687 8.291 1.00 0.61 C ATOM 153 CG1 VAL A 11 -6.412 0.416 7.900 1.00 1.04 C ATOM 154 CG2 VAL A 11 -4.252 -0.639 8.581 1.00 1.39 C ATOM 0 H VAL A 11 -2.774 2.609 8.102 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.238 0.800 6.238 1.00 0.46 H new ATOM 0 HB VAL A 11 -4.935 1.314 9.182 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -6.919 -0.096 8.718 1.00 1.04 H new ATOM 0 HG12 VAL A 11 -6.916 1.361 7.695 1.00 1.04 H new ATOM 0 HG13 VAL A 11 -6.438 -0.210 7.008 1.00 1.04 H new ATOM 0 HG21 VAL A 11 -4.760 -1.151 9.398 1.00 1.39 H new ATOM 0 HG22 VAL A 11 -4.275 -1.266 7.690 1.00 1.39 H new ATOM 0 HG23 VAL A 11 -3.217 -0.445 8.862 1.00 1.39 H new ATOM 164 N LEU A 12 -5.687 2.769 5.742 1.00 0.40 N ATOM 165 CA LEU A 12 -6.370 4.044 5.382 1.00 0.45 C ATOM 166 C LEU A 12 -7.876 3.950 5.634 1.00 0.44 C ATOM 167 O LEU A 12 -8.407 2.897 5.929 1.00 0.58 O ATOM 168 CB LEU A 12 -6.084 4.242 3.894 1.00 0.63 C ATOM 169 CG LEU A 12 -4.571 4.240 3.661 1.00 0.76 C ATOM 170 CD1 LEU A 12 -4.283 4.482 2.178 1.00 1.16 C ATOM 171 CD2 LEU A 12 -3.924 5.352 4.491 1.00 0.82 C ATOM 0 H LEU A 12 -5.849 1.989 5.105 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.011 4.879 5.984 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -6.553 3.448 3.314 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.514 5.183 3.552 1.00 0.63 H new ATOM 0 HG LEU A 12 -4.160 3.276 3.960 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -3.206 4.481 2.012 1.00 1.16 H new ATOM 0 HD12 LEU A 12 -4.743 3.692 1.584 1.00 1.16 H new ATOM 0 HD13 LEU A 12 -4.695 5.446 1.880 1.00 1.16 H new ATOM 0 HD21 LEU A 12 -2.847 5.350 4.325 1.00 0.82 H new ATOM 0 HD22 LEU A 12 -4.336 6.316 4.192 1.00 0.82 H new ATOM 0 HD23 LEU A 12 -4.128 5.183 5.548 1.00 0.82 H new ATOM 183 N ARG A 13 -8.562 5.053 5.519 1.00 0.47 N ATOM 184 CA ARG A 13 -10.034 5.053 5.745 1.00 0.55 C ATOM 185 C ARG A 13 -10.694 6.129 4.875 1.00 0.54 C ATOM 186 O ARG A 13 -10.031 6.876 4.183 1.00 0.73 O ATOM 187 CB ARG A 13 -10.211 5.378 7.229 1.00 0.69 C ATOM 188 CG ARG A 13 -10.511 4.093 8.004 1.00 1.19 C ATOM 189 CD ARG A 13 -11.750 4.302 8.877 1.00 1.28 C ATOM 190 NE ARG A 13 -11.345 3.836 10.234 1.00 1.86 N ATOM 191 CZ ARG A 13 -11.382 2.565 10.526 1.00 2.30 C ATOM 192 NH1 ARG A 13 -10.353 1.807 10.263 1.00 2.84 N ATOM 193 NH2 ARG A 13 -12.445 2.053 11.081 1.00 2.68 N ATOM 0 H ARG A 13 -8.163 5.960 5.277 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.495 4.100 5.483 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -9.308 5.847 7.619 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -11.024 6.092 7.361 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -10.676 3.268 7.311 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -9.657 3.822 8.625 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -12.051 5.350 8.892 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -12.599 3.732 8.501 1.00 1.28 H new ATOM 0 HE ARG A 13 -11.039 4.511 10.935 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -9.521 2.208 9.830 1.00 2.84 H new ATOM 0 HH12 ARG A 13 -10.380 0.813 10.491 1.00 2.84 H new ATOM 0 HH21 ARG A 13 -13.249 2.646 11.287 1.00 2.68 H new ATOM 0 HH22 ARG A 13 -12.473 1.059 11.309 1.00 2.68 H new ATOM 207 N LYS A 14 -11.994 6.207 4.902 1.00 0.58 N ATOM 208 CA LYS A 14 -12.707 7.224 4.074 1.00 0.63 C ATOM 209 C LYS A 14 -12.088 8.619 4.246 1.00 0.65 C ATOM 210 O LYS A 14 -12.116 9.432 3.343 1.00 0.83 O ATOM 211 CB LYS A 14 -14.142 7.218 4.600 1.00 0.74 C ATOM 212 CG LYS A 14 -14.936 6.105 3.914 1.00 1.26 C ATOM 213 CD LYS A 14 -15.819 5.401 4.947 1.00 1.92 C ATOM 214 CE LYS A 14 -17.248 5.296 4.412 1.00 2.26 C ATOM 215 NZ LYS A 14 -18.110 5.795 5.521 1.00 2.80 N ATOM 0 H LYS A 14 -12.599 5.608 5.464 1.00 0.58 H new ATOM 0 HA LYS A 14 -12.646 6.989 3.011 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -14.144 7.067 5.680 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.613 8.183 4.412 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -15.551 6.521 3.116 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -14.256 5.389 3.452 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -15.425 4.407 5.160 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -15.811 5.955 5.886 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -17.377 5.895 3.511 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -17.497 4.268 4.150 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -19.108 5.754 5.230 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -17.970 5.201 6.363 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -17.854 6.778 5.744 1.00 2.80 H new ATOM 229 N SER A 15 -11.550 8.915 5.399 1.00 0.68 N ATOM 230 CA SER A 15 -10.958 10.271 5.615 1.00 0.88 C ATOM 231 C SER A 15 -9.445 10.192 5.852 1.00 0.81 C ATOM 232 O SER A 15 -8.822 11.162 6.236 1.00 1.05 O ATOM 233 CB SER A 15 -11.657 10.797 6.866 1.00 1.10 C ATOM 234 OG SER A 15 -11.382 12.183 7.017 1.00 1.68 O ATOM 0 H SER A 15 -11.494 8.282 6.197 1.00 0.68 H new ATOM 0 HA SER A 15 -11.097 10.914 4.746 1.00 0.88 H new ATOM 0 HB2 SER A 15 -12.732 10.635 6.790 1.00 1.10 H new ATOM 0 HB3 SER A 15 -11.314 10.250 7.744 1.00 1.10 H new ATOM 0 HG SER A 15 -10.438 12.353 6.816 1.00 1.68 H new ATOM 240 N ASN A 16 -8.848 9.055 5.634 1.00 0.65 N ATOM 241 CA ASN A 16 -7.377 8.933 5.860 1.00 0.68 C ATOM 242 C ASN A 16 -6.635 8.815 4.525 1.00 0.55 C ATOM 243 O ASN A 16 -5.481 9.176 4.409 1.00 0.56 O ATOM 244 CB ASN A 16 -7.219 7.645 6.664 1.00 0.87 C ATOM 245 CG ASN A 16 -6.493 7.923 7.980 1.00 0.91 C ATOM 246 OD1 ASN A 16 -6.182 9.054 8.296 1.00 1.74 O ATOM 247 ND2 ASN A 16 -6.207 6.922 8.765 1.00 0.98 N ATOM 0 H ASN A 16 -9.311 8.206 5.310 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.966 9.802 6.374 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -8.199 7.213 6.866 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -6.661 6.912 6.082 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -5.721 7.088 9.646 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -6.469 5.973 8.498 1.00 0.98 H new ATOM 254 N PHE A 17 -7.289 8.301 3.523 1.00 0.55 N ATOM 255 CA PHE A 17 -6.630 8.140 2.194 1.00 0.51 C ATOM 256 C PHE A 17 -6.034 9.466 1.710 1.00 0.46 C ATOM 257 O PHE A 17 -4.842 9.586 1.508 1.00 0.52 O ATOM 258 CB PHE A 17 -7.753 7.693 1.263 1.00 0.56 C ATOM 259 CG PHE A 17 -7.181 7.343 -0.089 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.898 8.355 -1.013 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.931 6.006 -0.414 1.00 0.78 C ATOM 262 CE1 PHE A 17 -6.364 8.028 -2.266 1.00 0.90 C ATOM 263 CE2 PHE A 17 -6.397 5.678 -1.665 1.00 0.89 C ATOM 264 CZ PHE A 17 -6.125 6.699 -2.599 1.00 0.87 C ATOM 0 H PHE A 17 -8.257 7.983 3.565 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.805 7.428 2.231 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -8.268 6.830 1.686 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.493 8.487 1.162 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -7.091 9.387 -0.760 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -7.150 5.227 0.301 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -6.137 8.810 -2.975 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -6.194 4.647 -1.914 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.731 6.449 -3.573 1.00 0.87 H new ATOM 274 N ALA A 18 -6.858 10.456 1.509 1.00 0.52 N ATOM 275 CA ALA A 18 -6.350 11.773 1.020 1.00 0.66 C ATOM 276 C ALA A 18 -5.282 12.338 1.962 1.00 0.59 C ATOM 277 O ALA A 18 -4.533 13.224 1.600 1.00 0.75 O ATOM 278 CB ALA A 18 -7.577 12.683 1.000 1.00 0.84 C ATOM 0 H ALA A 18 -7.865 10.412 1.662 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.880 11.686 0.041 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -7.289 13.675 0.651 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -8.328 12.266 0.329 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.990 12.758 2.006 1.00 0.84 H new ATOM 284 N GLU A 19 -5.204 11.844 3.166 1.00 0.46 N ATOM 285 CA GLU A 19 -4.185 12.366 4.116 1.00 0.49 C ATOM 286 C GLU A 19 -2.899 11.549 4.016 1.00 0.48 C ATOM 287 O GLU A 19 -1.843 12.069 3.717 1.00 0.56 O ATOM 288 CB GLU A 19 -4.817 12.196 5.494 1.00 0.55 C ATOM 289 CG GLU A 19 -3.914 12.837 6.549 1.00 0.69 C ATOM 290 CD GLU A 19 -4.742 13.776 7.428 1.00 1.04 C ATOM 291 OE1 GLU A 19 -5.352 14.681 6.884 1.00 1.78 O ATOM 292 OE2 GLU A 19 -4.753 13.573 8.632 1.00 1.66 O ATOM 0 H GLU A 19 -5.801 11.103 3.532 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.918 13.402 3.909 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.803 12.659 5.514 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.957 11.138 5.714 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -3.448 12.065 7.161 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -3.108 13.390 6.066 1.00 0.69 H new ATOM 299 N ALA A 20 -2.982 10.274 4.268 1.00 0.45 N ATOM 300 CA ALA A 20 -1.764 9.413 4.197 1.00 0.53 C ATOM 301 C ALA A 20 -1.012 9.648 2.883 1.00 0.57 C ATOM 302 O ALA A 20 0.199 9.562 2.827 1.00 0.71 O ATOM 303 CB ALA A 20 -2.292 7.980 4.263 1.00 0.57 C ATOM 0 H ALA A 20 -3.842 9.787 4.521 1.00 0.45 H new ATOM 0 HA ALA A 20 -1.061 9.631 5.001 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -1.456 7.282 4.216 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.834 7.835 5.197 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.962 7.800 3.423 1.00 0.57 H new ATOM 309 N LEU A 21 -1.718 9.943 1.828 1.00 0.55 N ATOM 310 CA LEU A 21 -1.037 10.182 0.523 1.00 0.69 C ATOM 311 C LEU A 21 -0.195 11.455 0.591 1.00 0.75 C ATOM 312 O LEU A 21 1.003 11.434 0.386 1.00 0.92 O ATOM 313 CB LEU A 21 -2.166 10.341 -0.497 1.00 0.74 C ATOM 314 CG LEU A 21 -2.043 9.256 -1.569 1.00 0.84 C ATOM 315 CD1 LEU A 21 -3.245 8.314 -1.479 1.00 0.90 C ATOM 316 CD2 LEU A 21 -2.008 9.906 -2.954 1.00 1.44 C ATOM 0 H LEU A 21 -2.734 10.029 1.811 1.00 0.55 H new ATOM 0 HA LEU A 21 -0.363 9.368 0.258 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -3.133 10.267 0.001 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -2.119 11.328 -0.957 1.00 0.74 H new ATOM 0 HG LEU A 21 -1.124 8.692 -1.410 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -3.159 7.540 -2.242 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -3.271 7.850 -0.493 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -4.163 8.880 -1.638 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -1.920 9.132 -3.717 1.00 1.44 H new ATOM 0 HD22 LEU A 21 -2.926 10.471 -3.114 1.00 1.44 H new ATOM 0 HD23 LEU A 21 -1.152 10.578 -3.019 1.00 1.44 H new ATOM 328 N ALA A 22 -0.813 12.563 0.883 1.00 0.71 N ATOM 329 CA ALA A 22 -0.049 13.840 0.971 1.00 0.85 C ATOM 330 C ALA A 22 0.740 13.900 2.284 1.00 0.89 C ATOM 331 O ALA A 22 1.619 14.721 2.456 1.00 1.08 O ATOM 332 CB ALA A 22 -1.110 14.939 0.933 1.00 1.00 C ATOM 0 H ALA A 22 -1.814 12.642 1.065 1.00 0.71 H new ATOM 0 HA ALA A 22 0.675 13.943 0.163 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -0.626 15.914 0.994 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -1.672 14.870 0.002 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -1.790 14.818 1.777 1.00 1.00 H new ATOM 338 N ALA A 23 0.432 13.035 3.214 1.00 0.86 N ATOM 339 CA ALA A 23 1.159 13.041 4.515 1.00 0.93 C ATOM 340 C ALA A 23 2.573 12.471 4.345 1.00 0.85 C ATOM 341 O ALA A 23 3.426 12.645 5.192 1.00 0.95 O ATOM 342 CB ALA A 23 0.322 12.147 5.430 1.00 1.05 C ATOM 0 H ALA A 23 -0.294 12.323 3.127 1.00 0.86 H new ATOM 0 HA ALA A 23 1.278 14.047 4.918 1.00 0.93 H new ATOM 0 HB1 ALA A 23 0.788 12.096 6.414 1.00 1.05 H new ATOM 0 HB2 ALA A 23 -0.682 12.562 5.525 1.00 1.05 H new ATOM 0 HB3 ALA A 23 0.262 11.145 5.004 1.00 1.05 H new ATOM 348 N HIS A 24 2.831 11.791 3.258 1.00 0.83 N ATOM 349 CA HIS A 24 4.193 11.215 3.047 1.00 0.84 C ATOM 350 C HIS A 24 4.611 11.351 1.579 1.00 0.82 C ATOM 351 O HIS A 24 3.840 11.775 0.741 1.00 1.30 O ATOM 352 CB HIS A 24 4.061 9.741 3.436 1.00 0.95 C ATOM 353 CG HIS A 24 5.076 9.410 4.497 1.00 1.22 C ATOM 354 ND1 HIS A 24 5.971 8.360 4.362 1.00 1.80 N ATOM 355 CD2 HIS A 24 5.349 9.981 5.715 1.00 1.84 C ATOM 356 CE1 HIS A 24 6.733 8.332 5.471 1.00 2.04 C ATOM 357 NE2 HIS A 24 6.397 9.300 6.328 1.00 2.00 N ATOM 0 H HIS A 24 2.161 11.610 2.510 1.00 0.83 H new ATOM 0 HA HIS A 24 4.953 11.727 3.637 1.00 0.84 H new ATOM 0 HB2 HIS A 24 3.055 9.540 3.804 1.00 0.95 H new ATOM 0 HB3 HIS A 24 4.213 9.108 2.562 1.00 0.95 H new ATOM 0 HD2 HIS A 24 4.829 10.830 6.134 1.00 1.84 H new ATOM 0 HE1 HIS A 24 7.520 7.614 5.647 1.00 2.04 H new ATOM 0 HE2 HIS A 24 6.818 9.498 7.236 1.00 2.00 H new ATOM 365 N LYS A 25 5.827 10.996 1.263 1.00 0.72 N ATOM 366 CA LYS A 25 6.298 11.105 -0.150 1.00 0.69 C ATOM 367 C LYS A 25 6.094 9.775 -0.881 1.00 0.59 C ATOM 368 O LYS A 25 5.588 9.733 -1.985 1.00 0.68 O ATOM 369 CB LYS A 25 7.786 11.439 -0.048 1.00 0.81 C ATOM 370 CG LYS A 25 8.004 12.914 -0.390 1.00 1.20 C ATOM 371 CD LYS A 25 7.756 13.770 0.854 1.00 1.51 C ATOM 372 CE LYS A 25 8.919 13.597 1.834 1.00 2.06 C ATOM 373 NZ LYS A 25 8.286 13.563 3.182 1.00 2.47 N ATOM 0 H LYS A 25 6.516 10.635 1.922 1.00 0.72 H new ATOM 0 HA LYS A 25 5.749 11.862 -0.710 1.00 0.69 H new ATOM 0 HB2 LYS A 25 8.148 11.231 0.959 1.00 0.81 H new ATOM 0 HB3 LYS A 25 8.358 10.809 -0.729 1.00 0.81 H new ATOM 0 HG2 LYS A 25 9.020 13.067 -0.753 1.00 1.20 H new ATOM 0 HG3 LYS A 25 7.330 13.216 -1.192 1.00 1.20 H new ATOM 0 HD2 LYS A 25 7.656 14.818 0.573 1.00 1.51 H new ATOM 0 HD3 LYS A 25 6.820 13.477 1.329 1.00 1.51 H new ATOM 0 HE2 LYS A 25 9.470 12.678 1.634 1.00 2.06 H new ATOM 0 HE3 LYS A 25 9.630 14.420 1.752 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 9.021 13.446 3.908 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 7.774 14.453 3.348 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 7.620 12.766 3.233 1.00 2.47 H new ATOM 387 N TYR A 26 6.477 8.688 -0.269 1.00 0.52 N ATOM 388 CA TYR A 26 6.297 7.358 -0.919 1.00 0.48 C ATOM 389 C TYR A 26 5.327 6.531 -0.080 1.00 0.46 C ATOM 390 O TYR A 26 5.627 6.149 1.033 1.00 0.53 O ATOM 391 CB TYR A 26 7.685 6.707 -0.932 1.00 0.56 C ATOM 392 CG TYR A 26 8.703 7.663 -1.507 1.00 0.65 C ATOM 393 CD1 TYR A 26 8.583 8.105 -2.830 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.767 8.108 -0.714 1.00 1.08 C ATOM 395 CE1 TYR A 26 9.528 8.992 -3.359 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.711 8.995 -1.242 1.00 1.31 C ATOM 397 CZ TYR A 26 10.592 9.437 -2.565 1.00 1.08 C ATOM 398 OH TYR A 26 11.523 10.312 -3.088 1.00 1.33 O ATOM 0 H TYR A 26 6.908 8.663 0.655 1.00 0.52 H new ATOM 0 HA TYR A 26 5.894 7.435 -1.929 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.972 6.424 0.081 1.00 0.56 H new ATOM 0 HB3 TYR A 26 7.660 5.792 -1.523 1.00 0.56 H new ATOM 0 HD1 TYR A 26 7.762 7.762 -3.442 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.859 7.766 0.306 1.00 1.08 H new ATOM 0 HE1 TYR A 26 9.436 9.333 -4.380 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.531 9.339 -0.629 1.00 1.31 H new ATOM 0 HH TYR A 26 12.194 10.522 -2.406 1.00 1.33 H new ATOM 408 N LEU A 27 4.159 6.272 -0.590 1.00 0.46 N ATOM 409 CA LEU A 27 3.171 5.493 0.201 1.00 0.45 C ATOM 410 C LEU A 27 2.536 4.392 -0.646 1.00 0.40 C ATOM 411 O LEU A 27 2.200 4.591 -1.795 1.00 0.50 O ATOM 412 CB LEU A 27 2.123 6.521 0.613 1.00 0.51 C ATOM 413 CG LEU A 27 1.190 5.907 1.658 1.00 0.77 C ATOM 414 CD1 LEU A 27 1.831 6.027 3.043 1.00 0.66 C ATOM 415 CD2 LEU A 27 -0.147 6.650 1.648 1.00 1.93 C ATOM 0 H LEU A 27 3.846 6.564 -1.516 1.00 0.46 H new ATOM 0 HA LEU A 27 3.629 4.994 1.055 1.00 0.45 H new ATOM 0 HB2 LEU A 27 2.608 7.408 1.020 1.00 0.51 H new ATOM 0 HB3 LEU A 27 1.551 6.842 -0.257 1.00 0.51 H new ATOM 0 HG LEU A 27 1.022 4.856 1.424 1.00 0.77 H new ATOM 0 HD11 LEU A 27 1.168 5.590 3.790 1.00 0.66 H new ATOM 0 HD12 LEU A 27 2.784 5.498 3.050 1.00 0.66 H new ATOM 0 HD13 LEU A 27 1.998 7.078 3.277 1.00 0.66 H new ATOM 0 HD21 LEU A 27 -0.812 6.212 2.393 1.00 1.93 H new ATOM 0 HD22 LEU A 27 0.019 7.701 1.883 1.00 1.93 H new ATOM 0 HD23 LEU A 27 -0.602 6.566 0.661 1.00 1.93 H new ATOM 427 N LEU A 28 2.360 3.231 -0.078 1.00 0.33 N ATOM 428 CA LEU A 28 1.736 2.116 -0.841 1.00 0.32 C ATOM 429 C LEU A 28 0.373 1.779 -0.237 1.00 0.29 C ATOM 430 O LEU A 28 0.214 1.717 0.965 1.00 0.35 O ATOM 431 CB LEU A 28 2.710 0.940 -0.695 1.00 0.40 C ATOM 432 CG LEU A 28 2.412 -0.137 -1.748 1.00 0.53 C ATOM 433 CD1 LEU A 28 1.052 -0.773 -1.462 1.00 1.12 C ATOM 434 CD2 LEU A 28 2.399 0.486 -3.148 1.00 0.73 C ATOM 0 H LEU A 28 2.622 3.007 0.882 1.00 0.33 H new ATOM 0 HA LEU A 28 1.566 2.364 -1.889 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.735 1.293 -0.807 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.627 0.513 0.304 1.00 0.40 H new ATOM 0 HG LEU A 28 3.189 -0.900 -1.703 1.00 0.53 H new ATOM 0 HD11 LEU A 28 0.843 -1.537 -2.211 1.00 1.12 H new ATOM 0 HD12 LEU A 28 1.065 -1.229 -0.472 1.00 1.12 H new ATOM 0 HD13 LEU A 28 0.277 -0.007 -1.499 1.00 1.12 H new ATOM 0 HD21 LEU A 28 2.187 -0.286 -3.888 1.00 0.73 H new ATOM 0 HD22 LEU A 28 1.629 1.256 -3.196 1.00 0.73 H new ATOM 0 HD23 LEU A 28 3.372 0.931 -3.357 1.00 0.73 H new ATOM 446 N VAL A 29 -0.616 1.571 -1.061 1.00 0.32 N ATOM 447 CA VAL A 29 -1.969 1.249 -0.528 1.00 0.32 C ATOM 448 C VAL A 29 -2.495 -0.049 -1.147 1.00 0.34 C ATOM 449 O VAL A 29 -2.255 -0.344 -2.300 1.00 0.47 O ATOM 450 CB VAL A 29 -2.844 2.432 -0.935 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.276 2.199 -0.448 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.294 3.712 -0.305 1.00 0.77 C ATOM 0 H VAL A 29 -0.546 1.610 -2.078 1.00 0.32 H new ATOM 0 HA VAL A 29 -1.960 1.099 0.552 1.00 0.32 H new ATOM 0 HB VAL A 29 -2.841 2.530 -2.021 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -4.901 3.043 -0.738 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.669 1.286 -0.896 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.280 2.101 0.638 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -2.918 4.557 -0.595 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.298 3.614 0.781 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.274 3.879 -0.651 1.00 0.77 H new ATOM 462 N GLU A 30 -3.217 -0.818 -0.383 1.00 0.32 N ATOM 463 CA GLU A 30 -3.775 -2.096 -0.912 1.00 0.39 C ATOM 464 C GLU A 30 -5.283 -2.143 -0.656 1.00 0.36 C ATOM 465 O GLU A 30 -5.737 -1.960 0.454 1.00 0.42 O ATOM 466 CB GLU A 30 -3.060 -3.199 -0.130 1.00 0.52 C ATOM 467 CG GLU A 30 -3.654 -4.560 -0.504 1.00 0.64 C ATOM 468 CD GLU A 30 -2.756 -5.675 0.035 1.00 0.89 C ATOM 469 OE1 GLU A 30 -1.600 -5.399 0.308 1.00 1.48 O ATOM 470 OE2 GLU A 30 -3.240 -6.787 0.164 1.00 1.60 O ATOM 0 H GLU A 30 -3.447 -0.617 0.590 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.625 -2.205 -1.986 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -1.993 -3.183 -0.352 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.166 -3.027 0.941 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.658 -4.656 -0.091 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.745 -4.644 -1.587 1.00 0.64 H new ATOM 477 N PHE A 31 -6.064 -2.376 -1.672 1.00 0.35 N ATOM 478 CA PHE A 31 -7.541 -2.419 -1.478 1.00 0.36 C ATOM 479 C PHE A 31 -8.048 -3.863 -1.503 1.00 0.39 C ATOM 480 O PHE A 31 -8.019 -4.520 -2.525 1.00 0.49 O ATOM 481 CB PHE A 31 -8.107 -1.639 -2.663 1.00 0.41 C ATOM 482 CG PHE A 31 -8.061 -0.160 -2.362 1.00 0.38 C ATOM 483 CD1 PHE A 31 -6.881 0.562 -2.582 1.00 0.45 C ATOM 484 CD2 PHE A 31 -9.197 0.492 -1.866 1.00 0.53 C ATOM 485 CE1 PHE A 31 -6.836 1.933 -2.303 1.00 0.52 C ATOM 486 CE2 PHE A 31 -9.153 1.863 -1.588 1.00 0.59 C ATOM 487 CZ PHE A 31 -7.971 2.584 -1.806 1.00 0.53 C ATOM 0 H PHE A 31 -5.745 -2.538 -2.627 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.842 -1.999 -0.518 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.531 -1.856 -3.563 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.133 -1.949 -2.859 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -6.005 0.061 -2.967 1.00 0.45 H new ATOM 0 HD2 PHE A 31 -10.108 -0.064 -1.698 1.00 0.53 H new ATOM 0 HE1 PHE A 31 -5.925 2.489 -2.471 1.00 0.52 H new ATOM 0 HE2 PHE A 31 -10.029 2.365 -1.206 1.00 0.59 H new ATOM 0 HZ PHE A 31 -7.936 3.642 -1.591 1.00 0.53 H new ATOM 497 N TYR A 32 -8.525 -4.365 -0.394 1.00 0.37 N ATOM 498 CA TYR A 32 -9.042 -5.765 -0.386 1.00 0.44 C ATOM 499 C TYR A 32 -10.106 -5.954 0.700 1.00 0.40 C ATOM 500 O TYR A 32 -10.639 -5.007 1.241 1.00 0.45 O ATOM 501 CB TYR A 32 -7.818 -6.661 -0.126 1.00 0.54 C ATOM 502 CG TYR A 32 -7.387 -6.581 1.325 1.00 0.54 C ATOM 503 CD1 TYR A 32 -6.966 -5.363 1.871 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.419 -7.732 2.122 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.576 -5.297 3.214 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.030 -7.665 3.465 1.00 0.79 C ATOM 507 CZ TYR A 32 -6.608 -6.447 4.010 1.00 0.77 C ATOM 508 OH TYR A 32 -6.225 -6.382 5.335 1.00 0.94 O ATOM 0 H TYR A 32 -8.579 -3.872 0.497 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.526 -6.017 -1.330 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -8.057 -7.693 -0.382 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.995 -6.355 -0.771 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.942 -4.475 1.257 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -7.744 -8.672 1.700 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.250 -4.358 3.636 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -7.056 -8.552 4.080 1.00 0.79 H new ATOM 0 HH TYR A 32 -6.308 -7.269 5.743 1.00 0.94 H new ATOM 518 N ALA A 33 -10.408 -7.180 1.016 1.00 0.40 N ATOM 519 CA ALA A 33 -11.431 -7.462 2.063 1.00 0.44 C ATOM 520 C ALA A 33 -11.010 -8.680 2.896 1.00 0.53 C ATOM 521 O ALA A 33 -10.130 -9.420 2.502 1.00 0.56 O ATOM 522 CB ALA A 33 -12.715 -7.762 1.289 1.00 0.49 C ATOM 0 H ALA A 33 -9.988 -8.007 0.592 1.00 0.40 H new ATOM 0 HA ALA A 33 -11.557 -6.629 2.755 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.520 -7.981 1.991 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -12.986 -6.897 0.684 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.556 -8.623 0.640 1.00 0.49 H new ATOM 528 N PRO A 34 -11.654 -8.851 4.024 1.00 0.63 N ATOM 529 CA PRO A 34 -11.335 -9.999 4.911 1.00 0.78 C ATOM 530 C PRO A 34 -11.767 -11.320 4.263 1.00 0.82 C ATOM 531 O PRO A 34 -11.340 -12.385 4.663 1.00 0.96 O ATOM 532 CB PRO A 34 -12.149 -9.715 6.172 1.00 0.90 C ATOM 533 CG PRO A 34 -13.272 -8.842 5.709 1.00 0.81 C ATOM 534 CD PRO A 34 -12.732 -8.014 4.575 1.00 0.66 C ATOM 0 HA PRO A 34 -10.268 -10.100 5.112 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -12.522 -10.637 6.619 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -11.545 -9.215 6.929 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -14.120 -9.443 5.381 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -13.627 -8.205 6.519 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -13.499 -7.805 3.829 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -12.356 -7.052 4.924 1.00 0.66 H new ATOM 542 N TRP A 35 -12.609 -11.262 3.265 1.00 0.74 N ATOM 543 CA TRP A 35 -13.061 -12.517 2.596 1.00 0.83 C ATOM 544 C TRP A 35 -12.703 -12.489 1.103 1.00 0.78 C ATOM 545 O TRP A 35 -13.194 -13.283 0.325 1.00 0.92 O ATOM 546 CB TRP A 35 -14.577 -12.538 2.782 1.00 0.91 C ATOM 547 CG TRP A 35 -15.172 -11.321 2.151 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.399 -10.148 2.786 1.00 0.84 C ATOM 549 CD2 TRP A 35 -15.617 -11.134 0.775 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.955 -9.254 1.889 1.00 0.85 N ATOM 551 CE2 TRP A 35 -16.109 -9.815 0.636 1.00 1.19 C ATOM 552 CE3 TRP A 35 -15.641 -11.973 -0.352 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -16.608 -9.345 -0.579 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -16.141 -11.504 -1.577 1.00 2.36 C ATOM 555 CH2 TRP A 35 -16.624 -10.192 -1.690 1.00 2.26 C ATOM 0 H TRP A 35 -13.003 -10.401 2.885 1.00 0.74 H new ATOM 0 HA TRP A 35 -12.583 -13.402 3.017 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -14.997 -13.437 2.331 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -14.824 -12.568 3.843 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.182 -9.943 3.824 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -16.219 -8.297 2.124 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -15.272 -12.985 -0.275 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -16.979 -8.334 -0.660 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -16.154 -12.157 -2.437 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -17.008 -9.837 -2.635 1.00 2.26 H new ATOM 566 N CYS A 36 -11.851 -11.585 0.699 1.00 0.65 N ATOM 567 CA CYS A 36 -11.464 -11.511 -0.740 1.00 0.67 C ATOM 568 C CYS A 36 -10.831 -12.833 -1.201 1.00 0.84 C ATOM 569 O CYS A 36 -10.553 -13.709 -0.406 1.00 1.63 O ATOM 570 CB CYS A 36 -10.469 -10.328 -0.827 1.00 0.58 C ATOM 571 SG CYS A 36 -8.782 -10.792 -0.306 1.00 1.07 S ATOM 0 H CYS A 36 -11.406 -10.894 1.303 1.00 0.65 H new ATOM 0 HA CYS A 36 -12.321 -11.354 -1.395 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.440 -9.957 -1.851 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -10.827 -9.510 -0.202 1.00 0.58 H new ATOM 576 N GLY A 37 -10.591 -12.977 -2.477 1.00 0.96 N ATOM 577 CA GLY A 37 -9.965 -14.233 -2.974 1.00 1.08 C ATOM 578 C GLY A 37 -8.520 -14.282 -2.483 1.00 1.00 C ATOM 579 O GLY A 37 -7.683 -13.515 -2.917 1.00 1.83 O ATOM 0 H GLY A 37 -10.801 -12.281 -3.193 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -10.517 -15.100 -2.612 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -9.996 -14.267 -4.063 1.00 1.08 H new ATOM 583 N HIS A 38 -8.224 -15.161 -1.567 1.00 0.89 N ATOM 584 CA HIS A 38 -6.835 -15.237 -1.031 1.00 0.97 C ATOM 585 C HIS A 38 -6.407 -13.867 -0.518 1.00 0.88 C ATOM 586 O HIS A 38 -5.850 -13.060 -1.236 1.00 1.13 O ATOM 587 CB HIS A 38 -5.957 -15.653 -2.199 1.00 1.32 C ATOM 588 CG HIS A 38 -6.471 -16.938 -2.786 1.00 1.72 C ATOM 589 ND1 HIS A 38 -5.749 -18.119 -2.725 1.00 2.39 N ATOM 590 CD2 HIS A 38 -7.634 -17.243 -3.449 1.00 2.35 C ATOM 591 CE1 HIS A 38 -6.479 -19.072 -3.334 1.00 2.85 C ATOM 592 NE2 HIS A 38 -7.636 -18.591 -3.794 1.00 2.87 N ATOM 0 H HIS A 38 -8.882 -15.829 -1.166 1.00 0.89 H new ATOM 0 HA HIS A 38 -6.759 -15.943 -0.204 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -5.951 -14.871 -2.959 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -4.927 -15.781 -1.865 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -8.427 -16.543 -3.669 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -6.167 -20.101 -3.438 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -8.365 -19.102 -4.292 1.00 2.87 H new ATOM 600 N CYS A 39 -6.670 -13.609 0.721 1.00 0.79 N ATOM 601 CA CYS A 39 -6.292 -12.295 1.315 1.00 0.88 C ATOM 602 C CYS A 39 -5.028 -12.468 2.158 1.00 0.82 C ATOM 603 O CYS A 39 -4.218 -11.571 2.280 1.00 1.00 O ATOM 604 CB CYS A 39 -7.472 -11.880 2.204 1.00 1.08 C ATOM 605 SG CYS A 39 -9.033 -11.998 1.289 1.00 1.00 S ATOM 0 H CYS A 39 -7.135 -14.253 1.361 1.00 0.79 H new ATOM 0 HA CYS A 39 -6.088 -11.542 0.554 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.512 -12.519 3.086 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -7.327 -10.859 2.557 1.00 1.08 H new ATOM 610 N LYS A 40 -4.861 -13.623 2.739 1.00 0.78 N ATOM 611 CA LYS A 40 -3.656 -13.877 3.577 1.00 0.94 C ATOM 612 C LYS A 40 -2.499 -14.376 2.704 1.00 0.84 C ATOM 613 O LYS A 40 -1.355 -14.355 3.111 1.00 0.94 O ATOM 614 CB LYS A 40 -4.083 -14.959 4.570 1.00 1.21 C ATOM 615 CG LYS A 40 -5.330 -14.496 5.328 1.00 1.56 C ATOM 616 CD LYS A 40 -4.971 -13.309 6.222 1.00 2.11 C ATOM 617 CE LYS A 40 -5.178 -13.691 7.689 1.00 2.72 C ATOM 618 NZ LYS A 40 -4.941 -12.433 8.450 1.00 3.29 N ATOM 0 H LYS A 40 -5.511 -14.406 2.669 1.00 0.78 H new ATOM 0 HA LYS A 40 -3.308 -12.976 4.082 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -4.290 -15.890 4.042 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -3.274 -15.163 5.271 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -6.112 -14.211 4.624 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -5.726 -15.313 5.931 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -3.935 -13.015 6.055 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -5.591 -12.449 5.969 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -6.185 -14.072 7.860 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -4.485 -14.474 7.995 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -5.065 -12.614 9.467 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -3.973 -12.098 8.273 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -5.620 -11.708 8.142 1.00 3.29 H new ATOM 632 N ALA A 41 -2.785 -14.822 1.506 1.00 0.77 N ATOM 633 CA ALA A 41 -1.695 -15.319 0.613 1.00 0.86 C ATOM 634 C ALA A 41 -0.536 -14.314 0.567 1.00 0.75 C ATOM 635 O ALA A 41 0.599 -14.669 0.318 1.00 0.90 O ATOM 636 CB ALA A 41 -2.343 -15.448 -0.765 1.00 0.93 C ATOM 0 H ALA A 41 -3.724 -14.863 1.109 1.00 0.77 H new ATOM 0 HA ALA A 41 -1.278 -16.264 0.962 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -1.605 -15.809 -1.482 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -3.173 -16.153 -0.712 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -2.713 -14.474 -1.085 1.00 0.93 H new ATOM 642 N LEU A 42 -0.817 -13.063 0.811 1.00 0.65 N ATOM 643 CA LEU A 42 0.264 -12.035 0.789 1.00 0.67 C ATOM 644 C LEU A 42 0.189 -11.172 2.052 1.00 0.63 C ATOM 645 O LEU A 42 0.637 -10.043 2.074 1.00 0.70 O ATOM 646 CB LEU A 42 -0.014 -11.193 -0.456 1.00 0.82 C ATOM 647 CG LEU A 42 1.284 -10.536 -0.925 1.00 0.86 C ATOM 648 CD1 LEU A 42 2.282 -11.620 -1.342 1.00 1.24 C ATOM 649 CD2 LEU A 42 0.991 -9.625 -2.117 1.00 1.37 C ATOM 0 H LEU A 42 -1.749 -12.708 1.025 1.00 0.65 H new ATOM 0 HA LEU A 42 1.260 -12.478 0.763 1.00 0.67 H new ATOM 0 HB2 LEU A 42 -0.424 -11.820 -1.248 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -0.761 -10.431 -0.234 1.00 0.82 H new ATOM 0 HG LEU A 42 1.708 -9.946 -0.113 1.00 0.86 H new ATOM 0 HD11 LEU A 42 3.208 -11.153 -1.677 1.00 1.24 H new ATOM 0 HD12 LEU A 42 2.490 -12.270 -0.492 1.00 1.24 H new ATOM 0 HD13 LEU A 42 1.859 -12.211 -2.155 1.00 1.24 H new ATOM 0 HD21 LEU A 42 1.916 -9.156 -2.452 1.00 1.37 H new ATOM 0 HD22 LEU A 42 0.568 -10.215 -2.930 1.00 1.37 H new ATOM 0 HD23 LEU A 42 0.280 -8.854 -1.820 1.00 1.37 H new ATOM 661 N ALA A 43 -0.377 -11.700 3.101 1.00 0.71 N ATOM 662 CA ALA A 43 -0.490 -10.923 4.369 1.00 0.73 C ATOM 663 C ALA A 43 0.864 -10.847 5.090 1.00 0.67 C ATOM 664 O ALA A 43 1.333 -9.769 5.399 1.00 0.65 O ATOM 665 CB ALA A 43 -1.502 -11.695 5.215 1.00 0.88 C ATOM 0 H ALA A 43 -0.769 -12.641 3.136 1.00 0.71 H new ATOM 0 HA ALA A 43 -0.801 -9.894 4.187 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -1.642 -11.186 6.169 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.454 -11.745 4.687 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.132 -12.705 5.393 1.00 0.88 H new ATOM 671 N PRO A 44 1.453 -11.993 5.348 1.00 0.69 N ATOM 672 CA PRO A 44 2.760 -12.026 6.052 1.00 0.70 C ATOM 673 C PRO A 44 3.893 -11.528 5.145 1.00 0.59 C ATOM 674 O PRO A 44 5.017 -11.375 5.577 1.00 0.65 O ATOM 675 CB PRO A 44 2.945 -13.498 6.404 1.00 0.83 C ATOM 676 CG PRO A 44 2.118 -14.242 5.406 1.00 0.84 C ATOM 677 CD PRO A 44 0.970 -13.346 5.025 1.00 0.76 C ATOM 0 HA PRO A 44 2.781 -11.377 6.927 1.00 0.70 H new ATOM 0 HB2 PRO A 44 3.994 -13.789 6.343 1.00 0.83 H new ATOM 0 HB3 PRO A 44 2.615 -13.705 7.422 1.00 0.83 H new ATOM 0 HG2 PRO A 44 2.712 -14.500 4.529 1.00 0.84 H new ATOM 0 HG3 PRO A 44 1.752 -15.177 5.830 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.724 -13.440 3.967 1.00 0.76 H new ATOM 0 HD3 PRO A 44 0.068 -13.592 5.585 1.00 0.76 H new ATOM 685 N GLU A 45 3.608 -11.252 3.900 1.00 0.53 N ATOM 686 CA GLU A 45 4.673 -10.744 2.992 1.00 0.46 C ATOM 687 C GLU A 45 4.579 -9.223 2.932 1.00 0.41 C ATOM 688 O GLU A 45 5.569 -8.519 2.940 1.00 0.47 O ATOM 689 CB GLU A 45 4.367 -11.362 1.627 1.00 0.48 C ATOM 690 CG GLU A 45 4.471 -12.885 1.723 1.00 0.61 C ATOM 691 CD GLU A 45 3.077 -13.479 1.937 1.00 1.12 C ATOM 692 OE1 GLU A 45 2.112 -12.802 1.622 1.00 1.90 O ATOM 693 OE2 GLU A 45 2.998 -14.600 2.411 1.00 1.83 O ATOM 0 H GLU A 45 2.687 -11.356 3.475 1.00 0.53 H new ATOM 0 HA GLU A 45 5.678 -11.003 3.323 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.367 -11.075 1.302 1.00 0.48 H new ATOM 0 HB3 GLU A 45 5.066 -10.985 0.880 1.00 0.48 H new ATOM 0 HG2 GLU A 45 4.914 -13.288 0.812 1.00 0.61 H new ATOM 0 HG3 GLU A 45 5.127 -13.164 2.547 1.00 0.61 H new ATOM 700 N TYR A 46 3.379 -8.720 2.895 1.00 0.43 N ATOM 701 CA TYR A 46 3.173 -7.248 2.860 1.00 0.48 C ATOM 702 C TYR A 46 3.387 -6.676 4.274 1.00 0.52 C ATOM 703 O TYR A 46 3.585 -5.490 4.449 1.00 0.69 O ATOM 704 CB TYR A 46 1.718 -7.102 2.359 1.00 0.64 C ATOM 705 CG TYR A 46 1.026 -5.889 2.948 1.00 0.72 C ATOM 706 CD1 TYR A 46 1.247 -4.628 2.384 1.00 1.02 C ATOM 707 CD2 TYR A 46 0.184 -6.022 4.057 1.00 1.03 C ATOM 708 CE1 TYR A 46 0.623 -3.498 2.927 1.00 1.38 C ATOM 709 CE2 TYR A 46 -0.439 -4.895 4.603 1.00 1.39 C ATOM 710 CZ TYR A 46 -0.284 -3.666 4.031 1.00 1.50 C ATOM 711 OH TYR A 46 -0.831 -2.519 4.577 1.00 1.95 O ATOM 0 H TYR A 46 2.522 -9.273 2.887 1.00 0.43 H new ATOM 0 HA TYR A 46 3.864 -6.702 2.217 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.716 -7.026 1.272 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.156 -7.999 2.617 1.00 0.64 H new ATOM 0 HD1 TYR A 46 1.899 -4.526 1.529 1.00 1.02 H new ATOM 0 HD2 TYR A 46 0.015 -6.996 4.492 1.00 1.03 H new ATOM 0 HE1 TYR A 46 0.820 -2.516 2.523 1.00 1.38 H new ATOM 0 HE2 TYR A 46 -1.050 -4.999 5.488 1.00 1.39 H new ATOM 0 HH TYR A 46 -0.856 -2.601 5.553 1.00 1.95 H new ATOM 721 N ALA A 47 3.354 -7.512 5.282 1.00 0.53 N ATOM 722 CA ALA A 47 3.562 -7.014 6.672 1.00 0.62 C ATOM 723 C ALA A 47 5.053 -7.019 7.018 1.00 0.58 C ATOM 724 O ALA A 47 5.507 -6.270 7.861 1.00 0.68 O ATOM 725 CB ALA A 47 2.800 -7.997 7.562 1.00 0.73 C ATOM 0 H ALA A 47 3.192 -8.516 5.200 1.00 0.53 H new ATOM 0 HA ALA A 47 3.211 -5.990 6.802 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.904 -7.699 8.605 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.745 -7.994 7.287 1.00 0.73 H new ATOM 0 HB3 ALA A 47 3.207 -8.999 7.429 1.00 0.73 H new ATOM 731 N LYS A 48 5.820 -7.854 6.372 1.00 0.51 N ATOM 732 CA LYS A 48 7.281 -7.901 6.666 1.00 0.55 C ATOM 733 C LYS A 48 8.015 -6.845 5.837 1.00 0.53 C ATOM 734 O LYS A 48 8.938 -6.206 6.303 1.00 0.65 O ATOM 735 CB LYS A 48 7.723 -9.307 6.258 1.00 0.60 C ATOM 736 CG LYS A 48 8.300 -10.036 7.473 1.00 1.03 C ATOM 737 CD LYS A 48 7.323 -11.122 7.932 1.00 1.41 C ATOM 738 CE LYS A 48 6.952 -10.889 9.398 1.00 1.92 C ATOM 739 NZ LYS A 48 8.170 -11.266 10.168 1.00 2.47 N ATOM 0 H LYS A 48 5.499 -8.505 5.655 1.00 0.51 H new ATOM 0 HA LYS A 48 7.501 -7.695 7.714 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.876 -9.863 5.856 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.471 -9.249 5.467 1.00 0.60 H new ATOM 0 HG2 LYS A 48 9.262 -10.482 7.219 1.00 1.03 H new ATOM 0 HG3 LYS A 48 8.480 -9.329 8.283 1.00 1.03 H new ATOM 0 HD2 LYS A 48 6.427 -11.105 7.312 1.00 1.41 H new ATOM 0 HD3 LYS A 48 7.775 -12.107 7.812 1.00 1.41 H new ATOM 0 HE2 LYS A 48 6.679 -9.849 9.576 1.00 1.92 H new ATOM 0 HE3 LYS A 48 6.096 -11.498 9.690 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 7.928 -11.363 11.175 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 8.539 -12.171 9.812 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 8.894 -10.528 10.055 1.00 2.47 H new ATOM 753 N ALA A 49 7.611 -6.655 4.612 1.00 0.47 N ATOM 754 CA ALA A 49 8.283 -5.641 3.753 1.00 0.50 C ATOM 755 C ALA A 49 8.176 -4.254 4.388 1.00 0.53 C ATOM 756 O ALA A 49 9.084 -3.450 4.306 1.00 0.65 O ATOM 757 CB ALA A 49 7.525 -5.683 2.427 1.00 0.55 C ATOM 0 H ALA A 49 6.843 -7.159 4.168 1.00 0.47 H new ATOM 0 HA ALA A 49 9.345 -5.848 3.623 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.961 -4.961 1.736 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.595 -6.683 1.999 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.478 -5.435 2.599 1.00 0.55 H new ATOM 763 N ALA A 50 7.076 -3.969 5.024 1.00 0.54 N ATOM 764 CA ALA A 50 6.910 -2.635 5.669 1.00 0.65 C ATOM 765 C ALA A 50 7.815 -2.534 6.899 1.00 0.65 C ATOM 766 O ALA A 50 8.264 -1.466 7.266 1.00 0.77 O ATOM 767 CB ALA A 50 5.439 -2.573 6.078 1.00 0.76 C ATOM 0 H ALA A 50 6.283 -4.602 5.126 1.00 0.54 H new ATOM 0 HA ALA A 50 7.181 -1.815 5.004 1.00 0.65 H new ATOM 0 HB1 ALA A 50 5.236 -1.618 6.562 1.00 0.76 H new ATOM 0 HB2 ALA A 50 4.811 -2.672 5.193 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.220 -3.385 6.772 1.00 0.76 H new ATOM 773 N GLY A 51 8.090 -3.639 7.534 1.00 0.59 N ATOM 774 CA GLY A 51 8.968 -3.610 8.736 1.00 0.69 C ATOM 775 C GLY A 51 10.428 -3.506 8.290 1.00 0.78 C ATOM 776 O GLY A 51 11.276 -3.023 9.014 1.00 0.90 O ATOM 0 H GLY A 51 7.744 -4.562 7.272 1.00 0.59 H new ATOM 0 HA2 GLY A 51 8.708 -2.763 9.371 1.00 0.69 H new ATOM 0 HA3 GLY A 51 8.820 -4.511 9.331 1.00 0.69 H new ATOM 780 N LYS A 52 10.725 -3.952 7.100 1.00 0.80 N ATOM 781 CA LYS A 52 12.128 -3.877 6.602 1.00 1.01 C ATOM 782 C LYS A 52 12.607 -2.420 6.583 1.00 1.12 C ATOM 783 O LYS A 52 13.790 -2.148 6.542 1.00 1.31 O ATOM 784 CB LYS A 52 12.075 -4.448 5.185 1.00 1.15 C ATOM 785 CG LYS A 52 11.951 -5.970 5.253 1.00 1.49 C ATOM 786 CD LYS A 52 12.646 -6.592 4.040 1.00 1.97 C ATOM 787 CE LYS A 52 12.044 -7.970 3.754 1.00 2.64 C ATOM 788 NZ LYS A 52 11.458 -7.858 2.390 1.00 3.08 N ATOM 0 H LYS A 52 10.056 -4.365 6.450 1.00 0.80 H new ATOM 0 HA LYS A 52 12.823 -4.428 7.236 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.228 -4.027 4.643 1.00 1.15 H new ATOM 0 HB3 LYS A 52 12.974 -4.170 4.636 1.00 1.15 H new ATOM 0 HG2 LYS A 52 12.401 -6.342 6.174 1.00 1.49 H new ATOM 0 HG3 LYS A 52 10.900 -6.260 5.272 1.00 1.49 H new ATOM 0 HD2 LYS A 52 12.529 -5.945 3.170 1.00 1.97 H new ATOM 0 HD3 LYS A 52 13.716 -6.683 4.228 1.00 1.97 H new ATOM 0 HE2 LYS A 52 12.805 -8.749 3.794 1.00 2.64 H new ATOM 0 HE3 LYS A 52 11.283 -8.229 4.490 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 11.086 -8.783 2.095 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 10.686 -7.161 2.400 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 12.193 -7.551 1.721 1.00 3.08 H new ATOM 802 N LEU A 53 11.698 -1.482 6.623 1.00 1.12 N ATOM 803 CA LEU A 53 12.107 -0.043 6.619 1.00 1.33 C ATOM 804 C LEU A 53 12.318 0.411 8.057 1.00 1.30 C ATOM 805 O LEU A 53 13.266 1.097 8.381 1.00 1.50 O ATOM 806 CB LEU A 53 10.939 0.741 5.997 1.00 1.55 C ATOM 807 CG LEU A 53 10.391 0.009 4.770 1.00 1.47 C ATOM 808 CD1 LEU A 53 9.264 0.833 4.145 1.00 1.82 C ATOM 809 CD2 LEU A 53 11.511 -0.183 3.746 1.00 2.07 C ATOM 0 H LEU A 53 10.692 -1.647 6.658 1.00 1.12 H new ATOM 0 HA LEU A 53 13.029 0.116 6.060 1.00 1.33 H new ATOM 0 HB2 LEU A 53 10.147 0.869 6.734 1.00 1.55 H new ATOM 0 HB3 LEU A 53 11.274 1.738 5.712 1.00 1.55 H new ATOM 0 HG LEU A 53 10.005 -0.965 5.072 1.00 1.47 H new ATOM 0 HD11 LEU A 53 8.874 0.312 3.271 1.00 1.82 H new ATOM 0 HD12 LEU A 53 8.465 0.968 4.874 1.00 1.82 H new ATOM 0 HD13 LEU A 53 9.649 1.807 3.844 1.00 1.82 H new ATOM 0 HD21 LEU A 53 11.120 -0.704 2.872 1.00 2.07 H new ATOM 0 HD22 LEU A 53 11.899 0.790 3.444 1.00 2.07 H new ATOM 0 HD23 LEU A 53 12.314 -0.772 4.191 1.00 2.07 H new ATOM 821 N LYS A 54 11.425 0.021 8.920 1.00 1.20 N ATOM 822 CA LYS A 54 11.539 0.410 10.356 1.00 1.35 C ATOM 823 C LYS A 54 12.941 0.098 10.886 1.00 1.40 C ATOM 824 O LYS A 54 13.454 0.775 11.754 1.00 1.67 O ATOM 825 CB LYS A 54 10.494 -0.442 11.076 1.00 1.46 C ATOM 826 CG LYS A 54 10.551 -0.161 12.578 1.00 1.91 C ATOM 827 CD LYS A 54 9.131 -0.146 13.146 1.00 2.50 C ATOM 828 CE LYS A 54 9.156 0.410 14.570 1.00 2.87 C ATOM 829 NZ LYS A 54 8.136 1.495 14.577 1.00 3.88 N ATOM 0 H LYS A 54 10.614 -0.555 8.693 1.00 1.20 H new ATOM 0 HA LYS A 54 11.376 1.477 10.508 1.00 1.35 H new ATOM 0 HB2 LYS A 54 9.499 -0.218 10.691 1.00 1.46 H new ATOM 0 HB3 LYS A 54 10.678 -1.499 10.886 1.00 1.46 H new ATOM 0 HG2 LYS A 54 11.147 -0.923 13.079 1.00 1.91 H new ATOM 0 HG3 LYS A 54 11.038 0.797 12.762 1.00 1.91 H new ATOM 0 HD2 LYS A 54 8.483 0.465 12.517 1.00 2.50 H new ATOM 0 HD3 LYS A 54 8.717 -1.154 13.145 1.00 2.50 H new ATOM 0 HE2 LYS A 54 8.915 -0.363 15.300 1.00 2.87 H new ATOM 0 HE3 LYS A 54 10.143 0.794 14.827 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 8.094 1.926 15.523 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 8.395 2.219 13.877 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 7.205 1.098 14.336 1.00 3.88 H new ATOM 843 N ALA A 55 13.568 -0.924 10.367 1.00 1.63 N ATOM 844 CA ALA A 55 14.936 -1.276 10.841 1.00 2.20 C ATOM 845 C ALA A 55 15.989 -0.606 9.954 1.00 2.03 C ATOM 846 O ALA A 55 17.095 -0.340 10.381 1.00 2.38 O ATOM 847 CB ALA A 55 15.019 -2.798 10.719 1.00 2.78 C ATOM 0 H ALA A 55 13.192 -1.529 9.637 1.00 1.63 H new ATOM 0 HA ALA A 55 15.120 -0.940 11.862 1.00 2.20 H new ATOM 0 HB1 ALA A 55 16.001 -3.137 11.050 1.00 2.78 H new ATOM 0 HB2 ALA A 55 14.249 -3.255 11.340 1.00 2.78 H new ATOM 0 HB3 ALA A 55 14.867 -3.089 9.679 1.00 2.78 H new ATOM 853 N GLU A 56 15.652 -0.332 8.724 1.00 1.67 N ATOM 854 CA GLU A 56 16.634 0.324 7.810 1.00 1.70 C ATOM 855 C GLU A 56 16.590 1.841 7.993 1.00 1.53 C ATOM 856 O GLU A 56 17.597 2.479 8.227 1.00 1.98 O ATOM 857 CB GLU A 56 16.182 -0.061 6.401 1.00 1.99 C ATOM 858 CG GLU A 56 17.089 -1.167 5.859 1.00 2.69 C ATOM 859 CD GLU A 56 18.011 -0.590 4.783 1.00 3.21 C ATOM 860 OE1 GLU A 56 17.615 -0.594 3.629 1.00 3.63 O ATOM 861 OE2 GLU A 56 19.096 -0.155 5.132 1.00 3.64 O ATOM 0 H GLU A 56 14.741 -0.533 8.311 1.00 1.67 H new ATOM 0 HA GLU A 56 17.659 0.010 8.008 1.00 1.70 H new ATOM 0 HB2 GLU A 56 15.147 -0.402 6.420 1.00 1.99 H new ATOM 0 HB3 GLU A 56 16.219 0.809 5.745 1.00 1.99 H new ATOM 0 HG2 GLU A 56 17.681 -1.596 6.668 1.00 2.69 H new ATOM 0 HG3 GLU A 56 16.487 -1.974 5.442 1.00 2.69 H new ATOM 868 N GLY A 57 15.429 2.421 7.891 1.00 1.58 N ATOM 869 CA GLY A 57 15.314 3.898 8.062 1.00 2.25 C ATOM 870 C GLY A 57 14.815 4.534 6.761 1.00 1.97 C ATOM 871 O GLY A 57 14.995 5.714 6.531 1.00 2.50 O ATOM 0 H GLY A 57 14.552 1.937 7.696 1.00 1.58 H new ATOM 0 HA2 GLY A 57 14.626 4.127 8.876 1.00 2.25 H new ATOM 0 HA3 GLY A 57 16.282 4.318 8.335 1.00 2.25 H new ATOM 875 N SER A 58 14.189 3.768 5.909 1.00 1.30 N ATOM 876 CA SER A 58 13.683 4.343 4.629 1.00 1.23 C ATOM 877 C SER A 58 12.603 5.390 4.917 1.00 1.03 C ATOM 878 O SER A 58 12.000 5.398 5.973 1.00 1.27 O ATOM 879 CB SER A 58 13.094 3.157 3.865 1.00 1.53 C ATOM 880 OG SER A 58 13.631 3.126 2.551 1.00 2.13 O ATOM 0 H SER A 58 14.006 2.773 6.043 1.00 1.30 H new ATOM 0 HA SER A 58 14.467 4.841 4.059 1.00 1.23 H new ATOM 0 HB2 SER A 58 13.322 2.226 4.385 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.008 3.241 3.824 1.00 1.53 H new ATOM 0 HG SER A 58 13.255 2.365 2.062 1.00 2.13 H new ATOM 886 N GLU A 59 12.354 6.273 3.989 1.00 0.85 N ATOM 887 CA GLU A 59 11.314 7.318 4.217 1.00 0.87 C ATOM 888 C GLU A 59 10.013 6.945 3.499 1.00 0.76 C ATOM 889 O GLU A 59 9.164 7.781 3.262 1.00 1.06 O ATOM 890 CB GLU A 59 11.904 8.603 3.631 1.00 1.10 C ATOM 891 CG GLU A 59 12.117 8.435 2.126 1.00 1.05 C ATOM 892 CD GLU A 59 10.837 7.895 1.486 1.00 1.58 C ATOM 893 OE1 GLU A 59 10.287 6.945 2.019 1.00 2.13 O ATOM 894 OE2 GLU A 59 10.427 8.441 0.474 1.00 2.22 O ATOM 0 H GLU A 59 12.824 6.317 3.085 1.00 0.85 H new ATOM 0 HA GLU A 59 11.069 7.428 5.273 1.00 0.87 H new ATOM 0 HB2 GLU A 59 11.234 9.442 3.822 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.851 8.834 4.118 1.00 1.10 H new ATOM 0 HG2 GLU A 59 12.385 9.391 1.677 1.00 1.05 H new ATOM 0 HG3 GLU A 59 12.946 7.752 1.939 1.00 1.05 H new ATOM 901 N ILE A 60 9.847 5.697 3.153 1.00 0.59 N ATOM 902 CA ILE A 60 8.597 5.277 2.454 1.00 0.57 C ATOM 903 C ILE A 60 7.633 4.634 3.452 1.00 0.52 C ATOM 904 O ILE A 60 7.988 4.354 4.580 1.00 0.63 O ATOM 905 CB ILE A 60 9.042 4.253 1.407 1.00 0.68 C ATOM 906 CG1 ILE A 60 10.167 4.841 0.550 1.00 1.46 C ATOM 907 CG2 ILE A 60 7.859 3.887 0.510 1.00 1.34 C ATOM 908 CD1 ILE A 60 11.487 4.155 0.909 1.00 1.60 C ATOM 0 H ILE A 60 10.521 4.951 3.323 1.00 0.59 H new ATOM 0 HA ILE A 60 8.078 6.120 1.998 1.00 0.57 H new ATOM 0 HB ILE A 60 9.404 3.359 1.915 1.00 0.68 H new ATOM 0 HG12 ILE A 60 9.946 4.699 -0.508 1.00 1.46 H new ATOM 0 HG13 ILE A 60 10.245 5.915 0.718 1.00 1.46 H new ATOM 0 HG21 ILE A 60 8.179 3.158 -0.234 1.00 1.34 H new ATOM 0 HG22 ILE A 60 7.061 3.460 1.117 1.00 1.34 H new ATOM 0 HG23 ILE A 60 7.493 4.782 0.007 1.00 1.34 H new ATOM 0 HD11 ILE A 60 12.290 4.571 0.301 1.00 1.60 H new ATOM 0 HD12 ILE A 60 11.708 4.320 1.964 1.00 1.60 H new ATOM 0 HD13 ILE A 60 11.405 3.085 0.718 1.00 1.60 H new ATOM 920 N ARG A 61 6.413 4.398 3.052 1.00 0.45 N ATOM 921 CA ARG A 61 5.435 3.776 3.989 1.00 0.45 C ATOM 922 C ARG A 61 4.430 2.906 3.230 1.00 0.41 C ATOM 923 O ARG A 61 4.043 3.206 2.118 1.00 0.55 O ATOM 924 CB ARG A 61 4.726 4.957 4.653 1.00 0.51 C ATOM 925 CG ARG A 61 5.365 5.232 6.014 1.00 0.75 C ATOM 926 CD ARG A 61 4.291 5.702 6.998 1.00 0.97 C ATOM 927 NE ARG A 61 4.999 6.631 7.921 1.00 1.30 N ATOM 928 CZ ARG A 61 4.344 7.216 8.886 1.00 1.66 C ATOM 929 NH1 ARG A 61 3.320 7.978 8.611 1.00 2.21 N ATOM 930 NH2 ARG A 61 4.713 7.040 10.125 1.00 2.19 N ATOM 0 H ARG A 61 6.053 4.608 2.121 1.00 0.45 H new ATOM 0 HA ARG A 61 5.922 3.124 4.714 1.00 0.45 H new ATOM 0 HB2 ARG A 61 4.798 5.841 4.020 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.665 4.737 4.775 1.00 0.51 H new ATOM 0 HG2 ARG A 61 5.847 4.330 6.390 1.00 0.75 H new ATOM 0 HG3 ARG A 61 6.141 5.991 5.916 1.00 0.75 H new ATOM 0 HD2 ARG A 61 3.474 6.205 6.481 1.00 0.97 H new ATOM 0 HD3 ARG A 61 3.856 4.862 7.540 1.00 0.97 H new ATOM 0 HE ARG A 61 5.996 6.810 7.799 1.00 1.30 H new ATOM 0 HH11 ARG A 61 3.032 8.116 7.642 1.00 2.21 H new ATOM 0 HH12 ARG A 61 2.808 8.435 9.365 1.00 2.21 H new ATOM 0 HH21 ARG A 61 5.513 6.445 10.339 1.00 2.19 H new ATOM 0 HH22 ARG A 61 4.201 7.497 10.879 1.00 2.19 H new ATOM 944 N LEU A 62 3.995 1.835 3.834 1.00 0.35 N ATOM 945 CA LEU A 62 3.004 0.945 3.167 1.00 0.36 C ATOM 946 C LEU A 62 1.660 1.051 3.890 1.00 0.32 C ATOM 947 O LEU A 62 1.598 1.456 5.034 1.00 0.38 O ATOM 948 CB LEU A 62 3.579 -0.465 3.301 1.00 0.48 C ATOM 949 CG LEU A 62 4.531 -0.742 2.137 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.668 0.282 2.151 1.00 1.59 C ATOM 951 CD2 LEU A 62 5.111 -2.151 2.277 1.00 1.22 C ATOM 0 H LEU A 62 4.285 1.537 4.765 1.00 0.35 H new ATOM 0 HA LEU A 62 2.835 1.210 2.123 1.00 0.36 H new ATOM 0 HB2 LEU A 62 4.108 -0.565 4.249 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.773 -1.199 3.307 1.00 0.48 H new ATOM 0 HG LEU A 62 3.986 -0.665 1.196 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.346 0.084 1.321 1.00 1.59 H new ATOM 0 HD12 LEU A 62 5.255 1.286 2.051 1.00 1.59 H new ATOM 0 HD13 LEU A 62 6.214 0.207 3.091 1.00 1.59 H new ATOM 0 HD21 LEU A 62 5.790 -2.349 1.447 1.00 1.22 H new ATOM 0 HD22 LEU A 62 5.656 -2.228 3.218 1.00 1.22 H new ATOM 0 HD23 LEU A 62 4.301 -2.881 2.265 1.00 1.22 H new ATOM 963 N ALA A 63 0.584 0.699 3.243 1.00 0.30 N ATOM 964 CA ALA A 63 -0.743 0.796 3.921 1.00 0.32 C ATOM 965 C ALA A 63 -1.781 -0.074 3.211 1.00 0.31 C ATOM 966 O ALA A 63 -1.628 -0.434 2.061 1.00 0.37 O ATOM 967 CB ALA A 63 -1.126 2.273 3.823 1.00 0.37 C ATOM 0 H ALA A 63 0.563 0.352 2.284 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.700 0.447 4.953 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.094 2.430 4.300 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.371 2.879 4.325 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.187 2.564 2.774 1.00 0.37 H new ATOM 973 N LYS A 64 -2.842 -0.413 3.892 1.00 0.30 N ATOM 974 CA LYS A 64 -3.892 -1.261 3.256 1.00 0.32 C ATOM 975 C LYS A 64 -5.268 -0.622 3.412 1.00 0.32 C ATOM 976 O LYS A 64 -5.435 0.379 4.081 1.00 0.40 O ATOM 977 CB LYS A 64 -3.851 -2.606 3.987 1.00 0.38 C ATOM 978 CG LYS A 64 -3.848 -2.389 5.504 1.00 1.39 C ATOM 979 CD LYS A 64 -4.092 -3.724 6.210 1.00 1.60 C ATOM 980 CE LYS A 64 -3.517 -3.668 7.626 1.00 2.04 C ATOM 981 NZ LYS A 64 -2.924 -5.017 7.853 1.00 2.26 N ATOM 0 H LYS A 64 -3.027 -0.141 4.857 1.00 0.30 H new ATOM 0 HA LYS A 64 -3.710 -1.377 2.188 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -4.713 -3.209 3.701 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -2.961 -3.161 3.691 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -2.894 -1.967 5.820 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -4.621 -1.672 5.781 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -5.160 -3.937 6.249 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -3.626 -4.534 5.649 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -2.764 -2.885 7.716 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -4.293 -3.449 8.359 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -3.340 -5.440 8.707 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -3.122 -5.626 7.033 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -1.895 -4.928 7.977 1.00 2.26 H new ATOM 995 N VAL A 65 -6.258 -1.207 2.802 1.00 0.30 N ATOM 996 CA VAL A 65 -7.637 -0.656 2.911 1.00 0.32 C ATOM 997 C VAL A 65 -8.645 -1.800 2.960 1.00 0.31 C ATOM 998 O VAL A 65 -8.440 -2.849 2.383 1.00 0.36 O ATOM 999 CB VAL A 65 -7.847 0.187 1.647 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.314 0.641 1.565 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -6.934 1.413 1.696 1.00 0.70 C ATOM 0 H VAL A 65 -6.172 -2.047 2.230 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.771 -0.061 3.814 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.606 -0.412 0.769 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.460 1.240 0.666 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -9.964 -0.233 1.528 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.559 1.239 2.443 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.082 2.013 0.798 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.174 2.010 2.576 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -5.894 1.090 1.749 1.00 0.70 H new ATOM 1011 N ASP A 66 -9.734 -1.601 3.638 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.759 -2.673 3.716 1.00 0.39 C ATOM 1013 C ASP A 66 -11.934 -2.340 2.795 1.00 0.40 C ATOM 1014 O ASP A 66 -12.832 -1.610 3.160 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.205 -2.687 5.178 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.222 -3.521 6.003 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -9.082 -3.641 5.586 1.00 1.38 O ATOM 1018 OD2 ASP A 66 -10.626 -4.026 7.037 1.00 1.30 O ATOM 0 H ASP A 66 -9.960 -0.743 4.142 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.374 -3.643 3.401 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.250 -1.669 5.566 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.209 -3.103 5.259 1.00 0.47 H new ATOM 1023 N ALA A 67 -11.935 -2.870 1.598 1.00 0.40 N ATOM 1024 CA ALA A 67 -13.056 -2.588 0.652 1.00 0.46 C ATOM 1025 C ALA A 67 -14.403 -2.805 1.351 1.00 0.51 C ATOM 1026 O ALA A 67 -15.405 -2.220 0.992 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.873 -3.592 -0.487 1.00 0.51 C ATOM 0 H ALA A 67 -11.207 -3.486 1.235 1.00 0.40 H new ATOM 0 HA ALA A 67 -13.047 -1.559 0.293 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.660 -3.450 -1.227 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.902 -3.437 -0.956 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.926 -4.606 -0.090 1.00 0.51 H new ATOM 1033 N THR A 68 -14.426 -3.637 2.357 1.00 0.53 N ATOM 1034 CA THR A 68 -15.700 -3.885 3.093 1.00 0.62 C ATOM 1035 C THR A 68 -15.843 -2.891 4.253 1.00 0.64 C ATOM 1036 O THR A 68 -16.625 -3.094 5.161 1.00 0.86 O ATOM 1037 CB THR A 68 -15.583 -5.316 3.623 1.00 0.66 C ATOM 1038 OG1 THR A 68 -16.738 -5.632 4.387 1.00 1.29 O ATOM 1039 CG2 THR A 68 -14.337 -5.443 4.502 1.00 1.35 C ATOM 0 H THR A 68 -13.618 -4.156 2.701 1.00 0.53 H new ATOM 0 HA THR A 68 -16.575 -3.759 2.456 1.00 0.62 H new ATOM 0 HB THR A 68 -15.500 -6.006 2.783 1.00 0.66 H new ATOM 0 HG1 THR A 68 -17.041 -4.833 4.867 1.00 1.29 H new ATOM 0 HG21 THR A 68 -14.259 -6.464 4.877 1.00 1.35 H new ATOM 0 HG22 THR A 68 -13.451 -5.203 3.914 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.413 -4.753 5.342 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.097 -1.816 4.229 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.191 -0.811 5.324 1.00 0.61 C ATOM 1049 C GLU A 69 -15.145 0.602 4.737 1.00 0.57 C ATOM 1050 O GLU A 69 -16.021 1.410 4.978 1.00 0.66 O ATOM 1051 CB GLU A 69 -13.967 -1.067 6.205 1.00 0.63 C ATOM 1052 CG GLU A 69 -14.137 -0.339 7.539 1.00 0.83 C ATOM 1053 CD GLU A 69 -13.360 -1.081 8.628 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -13.728 -2.205 8.928 1.00 2.22 O ATOM 1055 OE2 GLU A 69 -12.412 -0.514 9.143 1.00 2.10 O ATOM 0 H GLU A 69 -14.425 -1.593 3.495 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.120 -0.895 5.888 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -13.846 -2.137 6.375 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.065 -0.720 5.702 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -13.776 0.686 7.454 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -15.193 -0.285 7.804 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.135 0.907 3.964 1.00 0.52 N ATOM 1063 CA GLU A 70 -14.048 2.268 3.364 1.00 0.57 C ATOM 1064 C GLU A 70 -14.065 2.174 1.835 1.00 0.72 C ATOM 1065 O GLU A 70 -13.260 2.779 1.155 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.723 2.841 3.866 1.00 0.71 C ATOM 1067 CG GLU A 70 -11.557 1.998 3.343 1.00 1.05 C ATOM 1068 CD GLU A 70 -12.080 0.630 2.902 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -12.963 0.113 3.567 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -11.591 0.123 1.907 1.00 1.89 O ATOM 0 H GLU A 70 -13.371 0.275 3.724 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.889 2.901 3.646 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -12.614 3.873 3.533 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -12.713 2.855 4.956 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -11.075 2.503 2.506 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -10.802 1.878 4.120 1.00 1.05 H new ATOM 1077 N SER A 71 -14.982 1.420 1.293 1.00 0.55 N ATOM 1078 CA SER A 71 -15.062 1.282 -0.190 1.00 0.66 C ATOM 1079 C SER A 71 -15.352 2.641 -0.844 1.00 0.70 C ATOM 1080 O SER A 71 -15.207 2.801 -2.040 1.00 0.94 O ATOM 1081 CB SER A 71 -16.216 0.304 -0.432 1.00 0.79 C ATOM 1082 OG SER A 71 -16.881 0.632 -1.646 1.00 1.48 O ATOM 0 H SER A 71 -15.682 0.892 1.815 1.00 0.55 H new ATOM 0 HA SER A 71 -14.127 0.925 -0.622 1.00 0.66 H new ATOM 0 HB2 SER A 71 -15.836 -0.716 -0.480 1.00 0.79 H new ATOM 0 HB3 SER A 71 -16.919 0.344 0.400 1.00 0.79 H new ATOM 0 HG SER A 71 -17.617 0.002 -1.796 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.763 3.618 -0.075 1.00 0.67 N ATOM 1089 CA ASP A 72 -16.062 4.962 -0.661 1.00 0.71 C ATOM 1090 C ASP A 72 -14.923 5.412 -1.582 1.00 0.68 C ATOM 1091 O ASP A 72 -15.123 6.177 -2.504 1.00 0.77 O ATOM 1092 CB ASP A 72 -16.180 5.897 0.542 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.640 6.317 0.722 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -18.401 5.528 1.257 1.00 1.83 O ATOM 1095 OD2 ASP A 72 -17.972 7.420 0.320 1.00 1.57 O ATOM 0 H ASP A 72 -15.905 3.544 0.932 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.969 4.954 -1.266 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -15.821 5.396 1.441 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.553 6.777 0.395 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.734 4.933 -1.343 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.585 5.324 -2.208 1.00 0.68 C ATOM 1102 C LEU A 73 -12.384 4.280 -3.306 1.00 0.60 C ATOM 1103 O LEU A 73 -12.034 4.598 -4.426 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.377 5.359 -1.274 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.640 6.348 -0.138 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -11.988 5.578 1.139 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -10.387 7.190 0.099 1.00 0.97 C ATOM 0 H LEU A 73 -13.508 4.288 -0.586 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.743 6.284 -2.700 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -11.188 4.365 -0.869 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -10.485 5.653 -1.827 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.472 6.999 -0.406 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -12.176 6.283 1.949 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -12.880 4.975 0.969 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -11.156 4.927 1.409 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -10.571 7.896 0.908 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.556 6.538 0.368 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -10.139 7.737 -0.811 1.00 0.97 H new ATOM 1119 N ALA A 74 -12.608 3.035 -2.994 1.00 0.57 N ATOM 1120 CA ALA A 74 -12.438 1.967 -4.020 1.00 0.56 C ATOM 1121 C ALA A 74 -13.487 2.136 -5.120 1.00 0.59 C ATOM 1122 O ALA A 74 -13.210 1.957 -6.290 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.651 0.653 -3.265 1.00 0.60 C ATOM 0 H ALA A 74 -12.902 2.709 -2.073 1.00 0.57 H new ATOM 0 HA ALA A 74 -11.461 2.000 -4.501 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -12.542 -0.184 -3.954 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.911 0.567 -2.469 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.652 0.640 -2.833 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.690 2.486 -4.754 1.00 0.64 N ATOM 1130 CA GLN A 75 -15.755 2.676 -5.778 1.00 0.76 C ATOM 1131 C GLN A 75 -15.474 3.944 -6.588 1.00 0.78 C ATOM 1132 O GLN A 75 -15.876 4.066 -7.729 1.00 0.86 O ATOM 1133 CB GLN A 75 -17.052 2.822 -4.981 1.00 0.87 C ATOM 1134 CG GLN A 75 -18.210 3.105 -5.939 1.00 1.42 C ATOM 1135 CD GLN A 75 -19.412 3.628 -5.147 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -19.579 3.303 -3.989 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -20.260 4.432 -5.728 1.00 2.40 N ATOM 0 H GLN A 75 -14.981 2.648 -3.790 1.00 0.64 H new ATOM 0 HA GLN A 75 -15.807 1.848 -6.485 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -17.248 1.911 -4.415 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -16.958 3.632 -4.258 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -17.907 3.838 -6.686 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -18.482 2.196 -6.476 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -20.120 4.705 -6.701 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -21.063 4.787 -5.209 1.00 2.40 H new ATOM 1146 N GLN A 76 -14.786 4.887 -6.005 1.00 0.76 N ATOM 1147 CA GLN A 76 -14.476 6.146 -6.740 1.00 0.84 C ATOM 1148 C GLN A 76 -13.380 5.893 -7.776 1.00 0.83 C ATOM 1149 O GLN A 76 -13.375 6.470 -8.845 1.00 0.94 O ATOM 1150 CB GLN A 76 -13.987 7.122 -5.669 1.00 0.89 C ATOM 1151 CG GLN A 76 -14.914 8.339 -5.625 1.00 1.14 C ATOM 1152 CD GLN A 76 -14.537 9.309 -6.746 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -13.584 10.054 -6.625 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -15.249 9.332 -7.838 1.00 1.97 N ATOM 0 H GLN A 76 -14.425 4.840 -5.052 1.00 0.76 H new ATOM 0 HA GLN A 76 -15.341 6.534 -7.278 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -13.968 6.631 -4.696 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -12.967 7.437 -5.887 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -15.951 8.023 -5.736 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -14.834 8.835 -4.658 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -16.048 8.707 -7.939 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -15.007 9.975 -8.591 1.00 1.97 H new ATOM 1163 N TYR A 77 -12.451 5.031 -7.467 1.00 0.74 N ATOM 1164 CA TYR A 77 -11.354 4.738 -8.434 1.00 0.81 C ATOM 1165 C TYR A 77 -11.868 3.836 -9.559 1.00 0.83 C ATOM 1166 O TYR A 77 -11.401 3.896 -10.679 1.00 1.00 O ATOM 1167 CB TYR A 77 -10.286 4.013 -7.617 1.00 0.80 C ATOM 1168 CG TYR A 77 -9.269 5.013 -7.119 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -8.375 5.608 -8.018 1.00 1.42 C ATOM 1170 CD2 TYR A 77 -9.221 5.345 -5.760 1.00 1.18 C ATOM 1171 CE1 TYR A 77 -7.432 6.535 -7.557 1.00 1.56 C ATOM 1172 CE2 TYR A 77 -8.278 6.271 -5.299 1.00 1.19 C ATOM 1173 CZ TYR A 77 -7.384 6.866 -6.196 1.00 1.05 C ATOM 1174 OH TYR A 77 -6.454 7.779 -5.741 1.00 1.22 O ATOM 0 H TYR A 77 -12.403 4.517 -6.587 1.00 0.74 H new ATOM 0 HA TYR A 77 -10.966 5.643 -8.902 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -10.746 3.496 -6.775 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -9.797 3.255 -8.229 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -8.413 5.352 -9.067 1.00 1.42 H new ATOM 0 HD2 TYR A 77 -9.911 4.887 -5.067 1.00 1.18 H new ATOM 0 HE1 TYR A 77 -6.742 6.994 -8.250 1.00 1.56 H new ATOM 0 HE2 TYR A 77 -8.240 6.526 -4.250 1.00 1.19 H new ATOM 0 HH TYR A 77 -6.343 7.677 -4.773 1.00 1.22 H new ATOM 1184 N GLY A 78 -12.827 3.002 -9.270 1.00 0.78 N ATOM 1185 CA GLY A 78 -13.371 2.098 -10.322 1.00 0.87 C ATOM 1186 C GLY A 78 -12.746 0.709 -10.173 1.00 0.88 C ATOM 1187 O GLY A 78 -12.642 -0.039 -11.125 1.00 1.52 O ATOM 0 H GLY A 78 -13.258 2.907 -8.351 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -14.455 2.032 -10.235 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -13.155 2.502 -11.311 1.00 0.87 H new ATOM 1191 N VAL A 79 -12.331 0.357 -8.987 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.716 -0.986 -8.784 1.00 0.79 C ATOM 1193 C VAL A 79 -12.659 -2.078 -9.295 1.00 1.13 C ATOM 1194 O VAL A 79 -13.837 -1.852 -9.491 1.00 1.54 O ATOM 1195 CB VAL A 79 -11.517 -1.108 -7.273 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.642 0.048 -6.779 1.00 0.72 C ATOM 1197 CG2 VAL A 79 -12.876 -1.053 -6.570 1.00 1.30 C ATOM 0 H VAL A 79 -12.391 0.939 -8.152 1.00 0.80 H new ATOM 0 HA VAL A 79 -10.777 -1.098 -9.326 1.00 0.79 H new ATOM 0 HB VAL A 79 -11.030 -2.057 -7.048 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -10.500 -0.038 -5.702 1.00 0.72 H new ATOM 0 HG12 VAL A 79 -9.673 0.010 -7.277 1.00 0.72 H new ATOM 0 HG13 VAL A 79 -11.130 0.996 -7.006 1.00 0.72 H new ATOM 0 HG21 VAL A 79 -12.732 -1.140 -5.493 1.00 1.30 H new ATOM 0 HG22 VAL A 79 -13.364 -0.105 -6.795 1.00 1.30 H new ATOM 0 HG23 VAL A 79 -13.500 -1.875 -6.920 1.00 1.30 H new ATOM 1207 N ARG A 80 -12.152 -3.261 -9.514 1.00 1.27 N ATOM 1208 CA ARG A 80 -13.025 -4.363 -10.013 1.00 1.72 C ATOM 1209 C ARG A 80 -12.426 -5.723 -9.644 1.00 1.38 C ATOM 1210 O ARG A 80 -12.273 -6.591 -10.479 1.00 1.87 O ATOM 1211 CB ARG A 80 -13.060 -4.185 -11.531 1.00 2.38 C ATOM 1212 CG ARG A 80 -14.032 -3.058 -11.892 1.00 2.85 C ATOM 1213 CD ARG A 80 -14.429 -3.177 -13.366 1.00 3.49 C ATOM 1214 NE ARG A 80 -15.860 -2.763 -13.414 1.00 4.06 N ATOM 1215 CZ ARG A 80 -16.387 -2.371 -14.542 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -16.067 -2.971 -15.656 1.00 5.25 N ATOM 1217 NH2 ARG A 80 -17.236 -1.380 -14.555 1.00 5.09 N ATOM 0 H ARG A 80 -11.174 -3.512 -9.370 1.00 1.27 H new ATOM 0 HA ARG A 80 -14.023 -4.328 -9.576 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -12.062 -3.952 -11.903 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -13.370 -5.114 -12.010 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -14.919 -3.112 -11.260 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -13.567 -2.090 -11.707 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -13.811 -2.535 -13.994 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -14.301 -4.197 -13.728 1.00 3.49 H new ATOM 0 HE ARG A 80 -16.427 -2.786 -12.566 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -15.405 -3.747 -15.645 1.00 5.25 H new ATOM 0 HH12 ARG A 80 -16.479 -2.664 -16.537 1.00 5.25 H new ATOM 0 HH21 ARG A 80 -17.487 -0.912 -13.684 1.00 5.09 H new ATOM 0 HH22 ARG A 80 -17.648 -1.073 -15.436 1.00 5.09 H new ATOM 1231 N GLY A 81 -12.088 -5.916 -8.397 1.00 0.87 N ATOM 1232 CA GLY A 81 -11.500 -7.220 -7.979 1.00 0.81 C ATOM 1233 C GLY A 81 -10.358 -6.976 -6.991 1.00 0.74 C ATOM 1234 O GLY A 81 -9.488 -6.160 -7.221 1.00 1.17 O ATOM 0 H GLY A 81 -12.194 -5.228 -7.652 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -12.266 -7.844 -7.518 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -11.131 -7.760 -8.851 1.00 0.81 H new ATOM 1238 N TYR A 82 -10.350 -7.680 -5.891 1.00 0.61 N ATOM 1239 CA TYR A 82 -9.261 -7.488 -4.889 1.00 0.52 C ATOM 1240 C TYR A 82 -8.235 -8.630 -4.998 1.00 0.54 C ATOM 1241 O TYR A 82 -8.547 -9.677 -5.530 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.958 -7.533 -3.525 1.00 0.59 C ATOM 1243 CG TYR A 82 -11.087 -6.521 -3.464 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.986 -5.332 -4.196 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -12.229 -6.767 -2.685 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -12.022 -4.390 -4.150 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -13.263 -5.824 -2.641 1.00 1.04 C ATOM 1248 CZ TYR A 82 -13.186 -4.669 -3.333 1.00 0.75 C ATOM 1249 OH TYR A 82 -14.178 -3.707 -3.328 1.00 0.85 O ATOM 0 H TYR A 82 -11.050 -8.379 -5.643 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.723 -6.553 -5.043 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -10.350 -8.534 -3.345 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -9.236 -7.327 -2.735 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -10.109 -5.141 -4.797 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.310 -7.684 -2.120 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -11.954 -3.471 -4.714 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -14.139 -6.025 -2.042 1.00 1.04 H new ATOM 0 HH TYR A 82 -14.913 -3.998 -2.748 1.00 0.85 H new ATOM 1259 N PRO A 83 -7.034 -8.406 -4.494 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.661 -7.122 -3.844 1.00 0.51 C ATOM 1261 C PRO A 83 -6.122 -6.132 -4.881 1.00 0.51 C ATOM 1262 O PRO A 83 -5.438 -6.508 -5.811 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.555 -7.531 -2.881 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.954 -8.783 -3.457 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.913 -9.347 -4.482 1.00 0.64 C ATOM 0 HA PRO A 83 -7.501 -6.629 -3.355 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.806 -6.744 -2.788 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.953 -7.712 -1.882 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.991 -8.563 -3.919 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.770 -9.513 -2.668 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.446 -9.420 -5.464 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -6.240 -10.350 -4.209 1.00 0.64 H new ATOM 1273 N THR A 84 -6.414 -4.871 -4.723 1.00 0.45 N ATOM 1274 CA THR A 84 -5.902 -3.864 -5.699 1.00 0.45 C ATOM 1275 C THR A 84 -4.818 -3.011 -5.035 1.00 0.43 C ATOM 1276 O THR A 84 -5.097 -2.173 -4.200 1.00 0.52 O ATOM 1277 CB THR A 84 -7.111 -3.004 -6.078 1.00 0.48 C ATOM 1278 OG1 THR A 84 -8.300 -3.775 -5.973 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.950 -2.507 -7.515 1.00 0.56 C ATOM 0 H THR A 84 -6.982 -4.494 -3.965 1.00 0.45 H new ATOM 0 HA THR A 84 -5.458 -4.329 -6.579 1.00 0.45 H new ATOM 0 HB THR A 84 -7.175 -2.152 -5.402 1.00 0.48 H new ATOM 0 HG1 THR A 84 -8.268 -4.515 -6.615 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.810 -1.895 -7.787 1.00 0.56 H new ATOM 0 HG22 THR A 84 -6.041 -1.911 -7.594 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.885 -3.360 -8.190 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.581 -3.223 -5.394 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.477 -2.433 -4.774 1.00 0.41 C ATOM 1289 C ILE A 85 -2.070 -1.269 -5.681 1.00 0.41 C ATOM 1290 O ILE A 85 -1.978 -1.407 -6.884 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.322 -3.423 -4.627 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.772 -4.603 -3.763 1.00 0.89 C ATOM 1293 CG2 ILE A 85 -0.134 -2.728 -3.962 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -2.445 -5.656 -4.647 1.00 1.27 C ATOM 0 H ILE A 85 -3.286 -3.909 -6.089 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.772 -1.997 -3.820 1.00 0.41 H new ATOM 0 HB ILE A 85 -1.025 -3.784 -5.612 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -0.915 -5.038 -3.249 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.465 -4.261 -2.994 1.00 0.89 H new ATOM 0 HG21 ILE A 85 0.689 -3.435 -3.858 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.186 -1.887 -4.577 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.429 -2.366 -2.977 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -2.766 -6.497 -4.032 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -3.312 -5.216 -5.141 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -1.738 -6.006 -5.399 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.818 -0.123 -5.107 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.407 1.051 -5.928 1.00 0.40 C ATOM 1308 C LYS A 86 -0.384 1.895 -5.160 1.00 0.38 C ATOM 1309 O LYS A 86 -0.489 2.079 -3.964 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.694 1.845 -6.162 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.345 1.385 -7.468 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.381 2.419 -7.914 1.00 1.03 C ATOM 1313 CE LYS A 86 -5.752 1.752 -8.028 1.00 1.37 C ATOM 1314 NZ LYS A 86 -6.641 2.802 -8.603 1.00 1.73 N ATOM 0 H LYS A 86 -1.879 0.050 -4.104 1.00 0.37 H new ATOM 0 HA LYS A 86 -0.938 0.757 -6.867 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.381 1.698 -5.329 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.473 2.911 -6.209 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -2.586 1.259 -8.240 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -3.821 0.415 -7.327 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -4.423 3.240 -7.198 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -4.093 2.848 -8.874 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -5.712 0.873 -8.671 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -6.112 1.419 -7.055 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -7.496 2.357 -8.993 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -6.910 3.475 -7.858 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -6.137 3.307 -9.360 1.00 1.73 H new ATOM 1328 N PHE A 87 0.607 2.406 -5.838 1.00 0.37 N ATOM 1329 CA PHE A 87 1.639 3.234 -5.145 1.00 0.36 C ATOM 1330 C PHE A 87 1.302 4.722 -5.280 1.00 0.33 C ATOM 1331 O PHE A 87 1.029 5.211 -6.359 1.00 0.37 O ATOM 1332 CB PHE A 87 2.952 2.907 -5.863 1.00 0.42 C ATOM 1333 CG PHE A 87 4.056 3.799 -5.342 1.00 0.46 C ATOM 1334 CD1 PHE A 87 4.189 4.020 -3.965 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.946 4.406 -6.238 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.211 4.848 -3.485 1.00 0.46 C ATOM 1337 CE2 PHE A 87 5.967 5.234 -5.756 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.100 5.454 -4.380 1.00 0.72 C ATOM 0 H PHE A 87 0.748 2.287 -6.841 1.00 0.37 H new ATOM 0 HA PHE A 87 1.695 3.021 -4.077 1.00 0.36 H new ATOM 0 HB2 PHE A 87 3.213 1.860 -5.705 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.835 3.048 -6.937 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.504 3.552 -3.274 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.845 4.235 -7.300 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.313 5.019 -2.424 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.652 5.703 -6.446 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.889 6.092 -4.009 1.00 0.72 H new ATOM 1348 N PHE A 88 1.319 5.446 -4.194 1.00 0.33 N ATOM 1349 CA PHE A 88 1.003 6.899 -4.263 1.00 0.35 C ATOM 1350 C PHE A 88 2.239 7.726 -3.900 1.00 0.42 C ATOM 1351 O PHE A 88 2.624 7.815 -2.751 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.105 7.097 -3.231 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.391 6.505 -3.757 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -1.991 7.041 -4.903 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -1.985 5.422 -3.096 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -3.184 6.493 -5.389 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.178 4.874 -3.583 1.00 0.73 C ATOM 1358 CZ PHE A 88 -3.774 5.405 -4.732 1.00 0.62 C ATOM 0 H PHE A 88 1.538 5.093 -3.262 1.00 0.33 H new ATOM 0 HA PHE A 88 0.697 7.217 -5.260 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.170 6.620 -2.290 1.00 0.39 H new ATOM 0 HB3 PHE A 88 -0.238 8.159 -3.023 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.534 7.877 -5.412 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.523 5.010 -2.211 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -3.650 6.909 -6.270 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -3.638 4.041 -3.072 1.00 0.73 H new ATOM 0 HZ PHE A 88 -4.689 4.976 -5.113 1.00 0.62 H new ATOM 1368 N ARG A 89 2.868 8.328 -4.873 1.00 0.47 N ATOM 1369 CA ARG A 89 4.085 9.144 -4.587 1.00 0.55 C ATOM 1370 C ARG A 89 3.701 10.601 -4.310 1.00 0.64 C ATOM 1371 O ARG A 89 3.475 11.376 -5.218 1.00 1.05 O ATOM 1372 CB ARG A 89 4.930 9.046 -5.855 1.00 0.73 C ATOM 1373 CG ARG A 89 6.295 9.692 -5.611 1.00 1.15 C ATOM 1374 CD ARG A 89 7.273 9.247 -6.702 1.00 1.42 C ATOM 1375 NE ARG A 89 6.729 9.822 -7.964 1.00 1.73 N ATOM 1376 CZ ARG A 89 7.334 10.825 -8.538 1.00 2.07 C ATOM 1377 NH1 ARG A 89 7.469 11.956 -7.902 1.00 2.43 N ATOM 1378 NH2 ARG A 89 7.804 10.698 -9.749 1.00 2.56 N ATOM 0 H ARG A 89 2.592 8.291 -5.854 1.00 0.47 H new ATOM 0 HA ARG A 89 4.621 8.788 -3.707 1.00 0.55 H new ATOM 0 HB2 ARG A 89 5.056 8.002 -6.141 1.00 0.73 H new ATOM 0 HB3 ARG A 89 4.423 9.544 -6.682 1.00 0.73 H new ATOM 0 HG2 ARG A 89 6.201 10.778 -5.613 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.674 9.407 -4.630 1.00 1.15 H new ATOM 0 HD2 ARG A 89 8.280 9.614 -6.503 1.00 1.42 H new ATOM 0 HD3 ARG A 89 7.335 8.160 -6.758 1.00 1.42 H new ATOM 0 HE ARG A 89 5.883 9.431 -8.379 1.00 1.73 H new ATOM 0 HH11 ARG A 89 7.101 12.056 -6.956 1.00 2.43 H new ATOM 0 HH12 ARG A 89 7.942 12.740 -8.351 1.00 2.43 H new ATOM 0 HH21 ARG A 89 7.698 9.814 -10.247 1.00 2.56 H new ATOM 0 HH22 ARG A 89 8.277 11.483 -10.197 1.00 2.56 H new ATOM 1392 N ASN A 90 3.637 10.979 -3.062 1.00 0.57 N ATOM 1393 CA ASN A 90 3.279 12.388 -2.718 1.00 0.68 C ATOM 1394 C ASN A 90 2.039 12.840 -3.499 1.00 0.69 C ATOM 1395 O ASN A 90 2.110 13.707 -4.347 1.00 0.98 O ATOM 1396 CB ASN A 90 4.500 13.211 -3.126 1.00 0.87 C ATOM 1397 CG ASN A 90 4.372 14.627 -2.565 1.00 1.10 C ATOM 1398 OD1 ASN A 90 4.395 14.823 -1.366 1.00 1.65 O ATOM 1399 ND2 ASN A 90 4.237 15.633 -3.386 1.00 1.74 N ATOM 0 H ASN A 90 3.818 10.372 -2.262 1.00 0.57 H new ATOM 0 HA ASN A 90 3.037 12.503 -1.661 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.410 12.741 -2.752 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.582 13.245 -4.212 1.00 0.87 H new ATOM 0 HD21 ASN A 90 4.151 16.581 -3.021 1.00 1.74 H new ATOM 0 HD22 ASN A 90 4.217 15.471 -4.393 1.00 1.74 H new ATOM 1406 N GLY A 91 0.904 12.262 -3.215 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.338 12.661 -3.938 1.00 0.75 C ATOM 1408 C GLY A 91 -0.215 12.289 -5.418 1.00 0.79 C ATOM 1409 O GLY A 91 0.333 13.029 -6.210 1.00 1.19 O ATOM 0 H GLY A 91 0.782 11.531 -2.514 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -1.202 12.163 -3.498 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.502 13.734 -3.835 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.725 11.149 -5.796 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.643 10.731 -7.226 1.00 1.27 C ATOM 1415 C ASP A 92 -2.006 10.229 -7.706 1.00 1.14 C ATOM 1416 O ASP A 92 -2.098 9.407 -8.597 1.00 1.70 O ATOM 1417 CB ASP A 92 0.384 9.599 -7.251 1.00 1.93 C ATOM 1418 CG ASP A 92 1.411 9.866 -8.353 1.00 2.15 C ATOM 1419 OD1 ASP A 92 1.101 10.628 -9.254 1.00 2.41 O ATOM 1420 OD2 ASP A 92 2.490 9.303 -8.278 1.00 2.68 O ATOM 0 H ASP A 92 -1.195 10.488 -5.177 1.00 0.90 H new ATOM 0 HA ASP A 92 -0.357 11.554 -7.881 1.00 1.27 H new ATOM 0 HB2 ASP A 92 0.883 9.525 -6.285 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -0.114 8.646 -7.427 1.00 1.93 H new ATOM 1425 N THR A 93 -3.066 10.716 -7.122 1.00 0.96 N ATOM 1426 CA THR A 93 -4.424 10.267 -7.544 1.00 1.33 C ATOM 1427 C THR A 93 -4.593 10.437 -9.056 1.00 1.26 C ATOM 1428 O THR A 93 -5.361 9.737 -9.687 1.00 1.90 O ATOM 1429 CB THR A 93 -5.393 11.179 -6.790 1.00 1.74 C ATOM 1430 OG1 THR A 93 -4.961 12.527 -6.911 1.00 2.10 O ATOM 1431 CG2 THR A 93 -5.425 10.783 -5.312 1.00 1.92 C ATOM 0 H THR A 93 -3.051 11.406 -6.371 1.00 0.96 H new ATOM 0 HA THR A 93 -4.598 9.214 -7.323 1.00 1.33 H new ATOM 0 HB THR A 93 -6.393 11.077 -7.213 1.00 1.74 H new ATOM 0 HG1 THR A 93 -5.581 13.114 -6.430 1.00 2.10 H new ATOM 0 HG21 THR A 93 -6.116 11.434 -4.776 1.00 1.92 H new ATOM 0 HG22 THR A 93 -5.755 9.748 -5.220 1.00 1.92 H new ATOM 0 HG23 THR A 93 -4.427 10.885 -4.886 1.00 1.92 H new ATOM 1439 N ALA A 94 -3.885 11.362 -9.643 1.00 1.18 N ATOM 1440 CA ALA A 94 -4.009 11.575 -11.114 1.00 1.18 C ATOM 1441 C ALA A 94 -3.076 10.625 -11.867 1.00 1.14 C ATOM 1442 O ALA A 94 -3.425 10.081 -12.897 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.593 13.029 -11.341 1.00 1.24 C ATOM 0 H ALA A 94 -3.226 11.980 -9.169 1.00 1.18 H new ATOM 0 HA ALA A 94 -5.019 11.379 -11.475 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.658 13.264 -12.403 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -4.257 13.689 -10.782 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.568 13.172 -10.999 1.00 1.24 H new ATOM 1449 N SER A 95 -1.894 10.420 -11.361 1.00 1.20 N ATOM 1450 CA SER A 95 -0.936 9.504 -12.044 1.00 1.22 C ATOM 1451 C SER A 95 -0.445 8.429 -11.065 1.00 0.98 C ATOM 1452 O SER A 95 0.727 8.371 -10.751 1.00 0.98 O ATOM 1453 CB SER A 95 0.221 10.399 -12.488 1.00 1.48 C ATOM 1454 OG SER A 95 1.018 9.706 -13.437 1.00 2.01 O ATOM 0 H SER A 95 -1.547 10.847 -10.502 1.00 1.20 H new ATOM 0 HA SER A 95 -1.390 8.982 -12.886 1.00 1.22 H new ATOM 0 HB2 SER A 95 -0.165 11.320 -12.925 1.00 1.48 H new ATOM 0 HB3 SER A 95 0.826 10.683 -11.627 1.00 1.48 H new ATOM 0 HG SER A 95 1.759 10.280 -13.723 1.00 2.01 H new ATOM 1460 N PRO A 96 -1.363 7.610 -10.609 1.00 0.87 N ATOM 1461 CA PRO A 96 -1.007 6.531 -9.653 1.00 0.72 C ATOM 1462 C PRO A 96 -0.245 5.408 -10.365 1.00 0.65 C ATOM 1463 O PRO A 96 -0.452 5.148 -11.534 1.00 0.79 O ATOM 1464 CB PRO A 96 -2.360 6.031 -9.155 1.00 0.79 C ATOM 1465 CG PRO A 96 -3.325 6.377 -10.244 1.00 0.97 C ATOM 1466 CD PRO A 96 -2.799 7.609 -10.931 1.00 1.02 C ATOM 0 HA PRO A 96 -0.359 6.875 -8.847 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -2.341 4.957 -8.971 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -2.636 6.510 -8.216 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.419 5.553 -10.951 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -4.318 6.560 -9.834 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -2.967 7.568 -12.007 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -3.291 8.511 -10.566 1.00 1.02 H new ATOM 1474 N LYS A 97 0.630 4.737 -9.665 1.00 0.55 N ATOM 1475 CA LYS A 97 1.400 3.627 -10.297 1.00 0.57 C ATOM 1476 C LYS A 97 1.026 2.293 -9.646 1.00 0.53 C ATOM 1477 O LYS A 97 1.335 2.044 -8.497 1.00 0.89 O ATOM 1478 CB LYS A 97 2.868 3.962 -10.034 1.00 0.68 C ATOM 1479 CG LYS A 97 3.423 4.778 -11.205 1.00 0.85 C ATOM 1480 CD LYS A 97 4.047 3.834 -12.234 1.00 1.63 C ATOM 1481 CE LYS A 97 4.487 4.636 -13.462 1.00 2.05 C ATOM 1482 NZ LYS A 97 5.880 4.187 -13.736 1.00 2.61 N ATOM 0 H LYS A 97 0.845 4.910 -8.683 1.00 0.55 H new ATOM 0 HA LYS A 97 1.191 3.531 -11.363 1.00 0.57 H new ATOM 0 HB2 LYS A 97 2.963 4.526 -9.106 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.445 3.045 -9.910 1.00 0.68 H new ATOM 0 HG2 LYS A 97 2.626 5.360 -11.667 1.00 0.85 H new ATOM 0 HG3 LYS A 97 4.169 5.487 -10.847 1.00 0.85 H new ATOM 0 HD2 LYS A 97 4.902 3.318 -11.798 1.00 1.63 H new ATOM 0 HD3 LYS A 97 3.327 3.069 -12.525 1.00 1.63 H new ATOM 0 HE2 LYS A 97 3.835 4.443 -14.314 1.00 2.05 H new ATOM 0 HE3 LYS A 97 4.449 5.708 -13.268 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 6.251 4.693 -14.565 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 6.479 4.390 -12.910 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 5.884 3.164 -13.924 1.00 2.61 H new ATOM 1496 N GLU A 98 0.357 1.436 -10.368 1.00 0.51 N ATOM 1497 CA GLU A 98 -0.045 0.121 -9.788 1.00 0.48 C ATOM 1498 C GLU A 98 1.191 -0.697 -9.394 1.00 0.45 C ATOM 1499 O GLU A 98 2.282 -0.467 -9.878 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.819 -0.583 -10.903 1.00 0.61 C ATOM 1501 CG GLU A 98 0.104 -0.814 -12.103 1.00 1.33 C ATOM 1502 CD GLU A 98 -0.539 -0.227 -13.361 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -1.742 -0.369 -13.510 1.00 2.61 O ATOM 1504 OE2 GLU A 98 0.183 0.355 -14.155 1.00 2.79 O ATOM 0 H GLU A 98 0.071 1.589 -11.335 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.642 0.239 -8.884 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -1.209 -1.535 -10.543 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -1.676 0.021 -11.202 1.00 0.61 H new ATOM 0 HG2 GLU A 98 1.073 -0.347 -11.925 1.00 1.33 H new ATOM 0 HG3 GLU A 98 0.284 -1.881 -12.237 1.00 1.33 H new ATOM 1511 N TYR A 99 1.022 -1.653 -8.522 1.00 0.45 N ATOM 1512 CA TYR A 99 2.177 -2.494 -8.094 1.00 0.46 C ATOM 1513 C TYR A 99 2.031 -3.908 -8.669 1.00 0.53 C ATOM 1514 O TYR A 99 0.947 -4.454 -8.732 1.00 0.67 O ATOM 1515 CB TYR A 99 2.100 -2.511 -6.561 1.00 0.52 C ATOM 1516 CG TYR A 99 3.075 -3.521 -5.998 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.416 -3.165 -5.812 1.00 1.58 C ATOM 1518 CD2 TYR A 99 2.641 -4.811 -5.667 1.00 1.20 C ATOM 1519 CE1 TYR A 99 5.323 -4.097 -5.296 1.00 2.05 C ATOM 1520 CE2 TYR A 99 3.549 -5.742 -5.150 1.00 1.49 C ATOM 1521 CZ TYR A 99 4.871 -5.392 -4.946 1.00 1.70 C ATOM 1522 OH TYR A 99 5.783 -6.304 -4.456 1.00 2.27 O ATOM 0 H TYR A 99 0.131 -1.889 -8.086 1.00 0.45 H new ATOM 0 HA TYR A 99 3.135 -2.109 -8.445 1.00 0.46 H new ATOM 0 HB2 TYR A 99 2.325 -1.520 -6.168 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.087 -2.757 -6.244 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.751 -2.170 -6.067 1.00 1.58 H new ATOM 0 HD2 TYR A 99 1.607 -5.087 -5.811 1.00 1.20 H new ATOM 0 HE1 TYR A 99 6.361 -3.830 -5.166 1.00 2.05 H new ATOM 0 HE2 TYR A 99 3.215 -6.740 -4.909 1.00 1.49 H new ATOM 0 HH TYR A 99 5.327 -7.149 -4.258 1.00 2.27 H new ATOM 1532 N THR A 100 3.113 -4.503 -9.089 1.00 0.60 N ATOM 1533 CA THR A 100 3.033 -5.879 -9.660 1.00 0.72 C ATOM 1534 C THR A 100 4.440 -6.450 -9.857 1.00 0.83 C ATOM 1535 O THR A 100 4.892 -6.642 -10.969 1.00 1.71 O ATOM 1536 CB THR A 100 2.325 -5.711 -11.005 1.00 0.93 C ATOM 1537 OG1 THR A 100 2.210 -6.977 -11.640 1.00 1.36 O ATOM 1538 CG2 THR A 100 3.132 -4.763 -11.895 1.00 1.13 C ATOM 0 H THR A 100 4.049 -4.097 -9.062 1.00 0.60 H new ATOM 0 HA THR A 100 2.500 -6.569 -9.006 1.00 0.72 H new ATOM 0 HB THR A 100 1.331 -5.294 -10.842 1.00 0.93 H new ATOM 0 HG1 THR A 100 3.104 -7.340 -11.811 1.00 1.36 H new ATOM 0 HG21 THR A 100 2.626 -4.644 -12.853 1.00 1.13 H new ATOM 0 HG22 THR A 100 3.219 -3.792 -11.408 1.00 1.13 H new ATOM 0 HG23 THR A 100 4.127 -5.177 -12.059 1.00 1.13 H new ATOM 1546 N ALA A 101 5.134 -6.722 -8.787 1.00 0.83 N ATOM 1547 CA ALA A 101 6.512 -7.278 -8.912 1.00 1.01 C ATOM 1548 C ALA A 101 6.475 -8.808 -8.850 1.00 1.36 C ATOM 1549 O ALA A 101 6.520 -9.481 -9.860 1.00 1.98 O ATOM 1550 CB ALA A 101 7.279 -6.708 -7.719 1.00 0.87 C ATOM 0 H ALA A 101 4.807 -6.584 -7.831 1.00 0.83 H new ATOM 0 HA ALA A 101 6.980 -7.013 -9.860 1.00 1.01 H new ATOM 0 HB1 ALA A 101 8.306 -7.072 -7.739 1.00 0.87 H new ATOM 0 HB2 ALA A 101 7.278 -5.619 -7.773 1.00 0.87 H new ATOM 0 HB3 ALA A 101 6.800 -7.026 -6.793 1.00 0.87 H new ATOM 1556 N GLY A 102 6.394 -9.360 -7.672 1.00 1.17 N ATOM 1557 CA GLY A 102 6.355 -10.845 -7.543 1.00 1.71 C ATOM 1558 C GLY A 102 5.210 -11.248 -6.614 1.00 1.08 C ATOM 1559 O GLY A 102 4.050 -11.109 -6.945 1.00 1.27 O ATOM 0 H GLY A 102 6.353 -8.847 -6.791 1.00 1.17 H new ATOM 0 HA2 GLY A 102 6.220 -11.302 -8.523 1.00 1.71 H new ATOM 0 HA3 GLY A 102 7.303 -11.211 -7.149 1.00 1.71 H new ATOM 1563 N ARG A 103 5.525 -11.748 -5.449 1.00 0.90 N ATOM 1564 CA ARG A 103 4.450 -12.159 -4.501 1.00 1.11 C ATOM 1565 C ARG A 103 5.035 -12.407 -3.107 1.00 0.94 C ATOM 1566 O ARG A 103 4.754 -13.406 -2.475 1.00 1.04 O ATOM 1567 CB ARG A 103 3.883 -13.452 -5.082 1.00 1.71 C ATOM 1568 CG ARG A 103 2.384 -13.282 -5.331 1.00 2.44 C ATOM 1569 CD ARG A 103 1.760 -14.643 -5.643 1.00 3.16 C ATOM 1570 NE ARG A 103 0.769 -14.373 -6.720 1.00 3.73 N ATOM 1571 CZ ARG A 103 1.171 -14.225 -7.953 1.00 4.34 C ATOM 1572 NH1 ARG A 103 1.751 -15.216 -8.573 1.00 4.84 N ATOM 1573 NH2 ARG A 103 0.993 -13.087 -8.566 1.00 4.81 N ATOM 0 H ARG A 103 6.478 -11.889 -5.114 1.00 0.90 H new ATOM 0 HA ARG A 103 3.684 -11.391 -4.390 1.00 1.11 H new ATOM 0 HB2 ARG A 103 4.392 -13.699 -6.014 1.00 1.71 H new ATOM 0 HB3 ARG A 103 4.057 -14.280 -4.395 1.00 1.71 H new ATOM 0 HG2 ARG A 103 1.907 -12.844 -4.455 1.00 2.44 H new ATOM 0 HG3 ARG A 103 2.218 -12.595 -6.161 1.00 2.44 H new ATOM 0 HD2 ARG A 103 2.515 -15.358 -5.971 1.00 3.16 H new ATOM 0 HD3 ARG A 103 1.280 -15.069 -4.762 1.00 3.16 H new ATOM 0 HE ARG A 103 -0.223 -14.304 -6.495 1.00 3.73 H new ATOM 0 HH11 ARG A 103 1.890 -16.106 -8.094 1.00 4.84 H new ATOM 0 HH12 ARG A 103 2.065 -15.101 -9.537 1.00 4.84 H new ATOM 0 HH21 ARG A 103 0.539 -12.312 -8.082 1.00 4.81 H new ATOM 0 HH22 ARG A 103 1.307 -12.972 -9.530 1.00 4.81 H new ATOM 1587 N GLU A 104 5.844 -11.504 -2.624 1.00 0.75 N ATOM 1588 CA GLU A 104 6.443 -11.687 -1.270 1.00 0.66 C ATOM 1589 C GLU A 104 6.974 -10.351 -0.744 1.00 0.56 C ATOM 1590 O GLU A 104 7.159 -9.409 -1.490 1.00 0.57 O ATOM 1591 CB GLU A 104 7.588 -12.679 -1.473 1.00 0.79 C ATOM 1592 CG GLU A 104 8.614 -12.082 -2.437 1.00 1.59 C ATOM 1593 CD GLU A 104 9.375 -13.212 -3.133 1.00 1.87 C ATOM 1594 OE1 GLU A 104 8.760 -14.226 -3.418 1.00 2.51 O ATOM 1595 OE2 GLU A 104 10.560 -13.045 -3.369 1.00 2.04 O ATOM 0 H GLU A 104 6.116 -10.648 -3.107 1.00 0.75 H new ATOM 0 HA GLU A 104 5.717 -12.049 -0.542 1.00 0.66 H new ATOM 0 HB2 GLU A 104 8.060 -12.906 -0.517 1.00 0.79 H new ATOM 0 HB3 GLU A 104 7.204 -13.618 -1.870 1.00 0.79 H new ATOM 0 HG2 GLU A 104 8.114 -11.456 -3.176 1.00 1.59 H new ATOM 0 HG3 GLU A 104 9.309 -11.441 -1.895 1.00 1.59 H new ATOM 1602 N ALA A 105 7.218 -10.260 0.535 1.00 0.50 N ATOM 1603 CA ALA A 105 7.733 -8.983 1.111 1.00 0.44 C ATOM 1604 C ALA A 105 8.944 -8.481 0.317 1.00 0.45 C ATOM 1605 O ALA A 105 9.077 -7.303 0.051 1.00 0.47 O ATOM 1606 CB ALA A 105 8.140 -9.331 2.544 1.00 0.47 C ATOM 0 H ALA A 105 7.083 -11.015 1.207 1.00 0.50 H new ATOM 0 HA ALA A 105 6.986 -8.190 1.077 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.531 -8.441 3.038 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.271 -9.697 3.090 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.909 -10.103 2.526 1.00 0.47 H new ATOM 1612 N ASP A 106 9.828 -9.362 -0.065 1.00 0.51 N ATOM 1613 CA ASP A 106 11.025 -8.921 -0.838 1.00 0.56 C ATOM 1614 C ASP A 106 10.590 -8.175 -2.099 1.00 0.54 C ATOM 1615 O ASP A 106 11.171 -7.176 -2.471 1.00 0.64 O ATOM 1616 CB ASP A 106 11.767 -10.206 -1.207 1.00 0.67 C ATOM 1617 CG ASP A 106 12.093 -10.992 0.064 1.00 1.18 C ATOM 1618 OD1 ASP A 106 12.759 -10.439 0.924 1.00 2.02 O ATOM 1619 OD2 ASP A 106 11.671 -12.132 0.157 1.00 1.82 O ATOM 0 H ASP A 106 9.774 -10.363 0.123 1.00 0.51 H new ATOM 0 HA ASP A 106 11.656 -8.242 -0.264 1.00 0.56 H new ATOM 0 HB2 ASP A 106 11.155 -10.812 -1.875 1.00 0.67 H new ATOM 0 HB3 ASP A 106 12.685 -9.967 -1.744 1.00 0.67 H new ATOM 1624 N ASP A 107 9.570 -8.650 -2.757 1.00 0.50 N ATOM 1625 CA ASP A 107 9.099 -7.964 -3.993 1.00 0.52 C ATOM 1626 C ASP A 107 8.556 -6.579 -3.644 1.00 0.51 C ATOM 1627 O ASP A 107 8.612 -5.660 -4.438 1.00 0.63 O ATOM 1628 CB ASP A 107 7.991 -8.860 -4.548 1.00 0.55 C ATOM 1629 CG ASP A 107 8.573 -9.779 -5.624 1.00 0.76 C ATOM 1630 OD1 ASP A 107 8.970 -9.269 -6.660 1.00 1.39 O ATOM 1631 OD2 ASP A 107 8.615 -10.977 -5.395 1.00 1.41 O ATOM 0 H ASP A 107 9.042 -9.482 -2.493 1.00 0.50 H new ATOM 0 HA ASP A 107 9.898 -7.818 -4.720 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.552 -9.453 -3.746 1.00 0.55 H new ATOM 0 HB3 ASP A 107 7.191 -8.250 -4.968 1.00 0.55 H new ATOM 1636 N ILE A 108 8.039 -6.419 -2.458 1.00 0.46 N ATOM 1637 CA ILE A 108 7.503 -5.088 -2.052 1.00 0.52 C ATOM 1638 C ILE A 108 8.653 -4.084 -1.945 1.00 0.50 C ATOM 1639 O ILE A 108 8.547 -2.947 -2.365 1.00 0.52 O ATOM 1640 CB ILE A 108 6.871 -5.317 -0.680 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.766 -6.379 -0.783 1.00 0.73 C ATOM 1642 CG2 ILE A 108 6.285 -4.001 -0.161 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.591 -5.845 -1.609 1.00 0.68 C ATOM 0 H ILE A 108 7.964 -7.151 -1.752 1.00 0.46 H new ATOM 0 HA ILE A 108 6.785 -4.690 -2.769 1.00 0.52 H new ATOM 0 HB ILE A 108 7.634 -5.669 0.014 1.00 0.60 H new ATOM 0 HG12 ILE A 108 6.163 -7.283 -1.245 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.423 -6.655 0.214 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.834 -4.164 0.818 1.00 0.67 H new ATOM 0 HG22 ILE A 108 7.078 -3.258 -0.076 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.525 -3.642 -0.855 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.815 -6.608 -1.674 1.00 0.68 H new ATOM 0 HD12 ILE A 108 4.185 -4.954 -1.130 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.936 -5.592 -2.612 1.00 0.68 H new ATOM 1655 N VAL A 109 9.758 -4.505 -1.394 1.00 0.51 N ATOM 1656 CA VAL A 109 10.923 -3.587 -1.263 1.00 0.56 C ATOM 1657 C VAL A 109 11.629 -3.476 -2.610 1.00 0.51 C ATOM 1658 O VAL A 109 12.094 -2.423 -2.997 1.00 0.55 O ATOM 1659 CB VAL A 109 11.835 -4.244 -0.227 1.00 0.67 C ATOM 1660 CG1 VAL A 109 13.115 -3.420 -0.078 1.00 0.81 C ATOM 1661 CG2 VAL A 109 11.114 -4.312 1.121 1.00 0.86 C ATOM 0 H VAL A 109 9.904 -5.446 -1.029 1.00 0.51 H new ATOM 0 HA VAL A 109 10.636 -2.580 -0.959 1.00 0.56 H new ATOM 0 HB VAL A 109 12.087 -5.252 -0.555 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.765 -3.888 0.661 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.631 -3.372 -1.037 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.862 -2.411 0.249 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.765 -4.781 1.859 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.860 -3.304 1.449 1.00 0.86 H new ATOM 0 HG23 VAL A 109 10.202 -4.900 1.017 1.00 0.86 H new ATOM 1671 N ASN A 110 11.700 -4.559 -3.329 1.00 0.50 N ATOM 1672 CA ASN A 110 12.363 -4.530 -4.660 1.00 0.52 C ATOM 1673 C ASN A 110 11.701 -3.475 -5.543 1.00 0.50 C ATOM 1674 O ASN A 110 12.360 -2.710 -6.219 1.00 0.59 O ATOM 1675 CB ASN A 110 12.145 -5.931 -5.229 1.00 0.59 C ATOM 1676 CG ASN A 110 13.402 -6.392 -5.966 1.00 0.98 C ATOM 1677 OD1 ASN A 110 13.775 -5.825 -6.975 1.00 1.65 O ATOM 1678 ND2 ASN A 110 14.077 -7.409 -5.501 1.00 1.29 N ATOM 0 H ASN A 110 11.326 -5.466 -3.051 1.00 0.50 H new ATOM 0 HA ASN A 110 13.421 -4.276 -4.602 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.908 -6.627 -4.425 1.00 0.59 H new ATOM 0 HB3 ASN A 110 11.294 -5.929 -5.910 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.917 -7.727 -5.984 1.00 1.29 H new ATOM 0 HD22 ASN A 110 13.764 -7.885 -4.655 1.00 1.29 H new ATOM 1685 N TRP A 111 10.398 -3.419 -5.531 1.00 0.46 N ATOM 1686 CA TRP A 111 9.690 -2.403 -6.357 1.00 0.51 C ATOM 1687 C TRP A 111 9.895 -1.018 -5.744 1.00 0.55 C ATOM 1688 O TRP A 111 9.986 -0.026 -6.438 1.00 0.66 O ATOM 1689 CB TRP A 111 8.216 -2.804 -6.303 1.00 0.55 C ATOM 1690 CG TRP A 111 7.472 -2.125 -7.409 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.261 -2.649 -8.638 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.840 -0.811 -7.410 1.00 0.69 C ATOM 1693 NE1 TRP A 111 6.540 -1.742 -9.393 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.257 -0.594 -8.681 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.717 0.202 -6.442 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.575 0.586 -8.980 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 6.032 1.391 -6.741 1.00 1.07 C ATOM 1698 CH2 TRP A 111 5.462 1.582 -8.007 1.00 1.14 C ATOM 0 H TRP A 111 9.794 -4.033 -4.985 1.00 0.46 H new ATOM 0 HA TRP A 111 10.057 -2.363 -7.383 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.119 -3.886 -6.396 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.788 -2.527 -5.339 1.00 0.55 H new ATOM 0 HD1 TRP A 111 7.600 -3.618 -8.975 1.00 0.73 H new ATOM 0 HE1 TRP A 111 6.252 -1.902 -10.358 1.00 0.84 H new ATOM 0 HE3 TRP A 111 7.152 0.065 -5.463 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.137 0.728 -9.957 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 5.944 2.163 -5.991 1.00 1.07 H new ATOM 0 HH2 TRP A 111 4.936 2.498 -8.230 1.00 1.14 H new ATOM 1709 N LEU A 112 9.970 -0.949 -4.443 1.00 0.55 N ATOM 1710 CA LEU A 112 10.172 0.368 -3.777 1.00 0.65 C ATOM 1711 C LEU A 112 11.612 0.853 -3.974 1.00 0.65 C ATOM 1712 O LEU A 112 11.865 2.036 -4.082 1.00 0.75 O ATOM 1713 CB LEU A 112 9.893 0.109 -2.296 1.00 0.74 C ATOM 1714 CG LEU A 112 8.535 0.705 -1.920 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.419 -0.172 -2.491 1.00 1.49 C ATOM 1716 CD2 LEU A 112 8.409 0.763 -0.397 1.00 1.10 C ATOM 0 H LEU A 112 9.900 -1.748 -3.813 1.00 0.55 H new ATOM 0 HA LEU A 112 9.521 1.140 -4.188 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.900 -0.962 -2.096 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.679 0.552 -1.684 1.00 0.74 H new ATOM 0 HG LEU A 112 8.453 1.712 -2.330 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.451 0.251 -2.224 1.00 1.49 H new ATOM 0 HD12 LEU A 112 7.509 -0.215 -3.576 1.00 1.49 H new ATOM 0 HD13 LEU A 112 7.501 -1.178 -2.080 1.00 1.49 H new ATOM 0 HD21 LEU A 112 7.442 1.188 -0.128 1.00 1.10 H new ATOM 0 HD22 LEU A 112 8.490 -0.243 0.013 1.00 1.10 H new ATOM 0 HD23 LEU A 112 9.205 1.386 0.010 1.00 1.10 H new ATOM 1728 N LYS A 113 12.560 -0.047 -4.019 1.00 0.62 N ATOM 1729 CA LYS A 113 13.976 0.386 -4.207 1.00 0.70 C ATOM 1730 C LYS A 113 14.368 0.322 -5.689 1.00 0.75 C ATOM 1731 O LYS A 113 15.533 0.334 -6.033 1.00 1.01 O ATOM 1732 CB LYS A 113 14.814 -0.593 -3.372 1.00 0.79 C ATOM 1733 CG LYS A 113 14.788 -1.989 -4.002 1.00 1.42 C ATOM 1734 CD LYS A 113 15.207 -3.025 -2.957 1.00 1.84 C ATOM 1735 CE LYS A 113 16.690 -3.358 -3.135 1.00 2.39 C ATOM 1736 NZ LYS A 113 16.741 -4.843 -3.234 1.00 2.86 N ATOM 0 H LYS A 113 12.417 -1.053 -3.935 1.00 0.62 H new ATOM 0 HA LYS A 113 14.133 1.418 -3.892 1.00 0.70 H new ATOM 0 HB2 LYS A 113 15.842 -0.236 -3.305 1.00 0.79 H new ATOM 0 HB3 LYS A 113 14.425 -0.639 -2.355 1.00 0.79 H new ATOM 0 HG2 LYS A 113 13.788 -2.214 -4.373 1.00 1.42 H new ATOM 0 HG3 LYS A 113 15.462 -2.026 -4.858 1.00 1.42 H new ATOM 0 HD2 LYS A 113 15.028 -2.638 -1.954 1.00 1.84 H new ATOM 0 HD3 LYS A 113 14.605 -3.928 -3.063 1.00 1.84 H new ATOM 0 HE2 LYS A 113 17.095 -2.888 -4.031 1.00 2.39 H new ATOM 0 HE3 LYS A 113 17.280 -2.998 -2.292 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 17.727 -5.149 -3.358 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 16.355 -5.262 -2.364 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 16.177 -5.156 -4.049 1.00 2.86 H new ATOM 1750 N LYS A 114 13.405 0.258 -6.568 1.00 0.71 N ATOM 1751 CA LYS A 114 13.728 0.197 -8.021 1.00 0.89 C ATOM 1752 C LYS A 114 14.210 1.565 -8.513 1.00 1.07 C ATOM 1753 O LYS A 114 14.846 1.676 -9.542 1.00 1.31 O ATOM 1754 CB LYS A 114 12.415 -0.186 -8.702 1.00 0.92 C ATOM 1755 CG LYS A 114 12.648 -1.391 -9.616 1.00 1.45 C ATOM 1756 CD LYS A 114 11.743 -1.283 -10.844 1.00 1.77 C ATOM 1757 CE LYS A 114 12.216 -0.125 -11.726 1.00 2.49 C ATOM 1758 NZ LYS A 114 11.588 -0.370 -13.053 1.00 3.00 N ATOM 0 H LYS A 114 12.410 0.245 -6.343 1.00 0.71 H new ATOM 0 HA LYS A 114 14.523 -0.516 -8.239 1.00 0.89 H new ATOM 0 HB2 LYS A 114 11.660 -0.425 -7.953 1.00 0.92 H new ATOM 0 HB3 LYS A 114 12.034 0.655 -9.281 1.00 0.92 H new ATOM 0 HG2 LYS A 114 13.693 -1.431 -9.924 1.00 1.45 H new ATOM 0 HG3 LYS A 114 12.439 -2.315 -9.077 1.00 1.45 H new ATOM 0 HD2 LYS A 114 11.764 -2.216 -11.408 1.00 1.77 H new ATOM 0 HD3 LYS A 114 10.710 -1.121 -10.535 1.00 1.77 H new ATOM 0 HE2 LYS A 114 11.907 0.836 -11.315 1.00 2.49 H new ATOM 0 HE3 LYS A 114 13.303 -0.105 -11.802 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 11.866 0.384 -13.713 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 11.905 -1.289 -13.423 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 10.553 -0.377 -12.951 1.00 3.00 H new ATOM 1772 N ARG A 115 13.908 2.609 -7.789 1.00 1.09 N ATOM 1773 CA ARG A 115 14.348 3.967 -8.221 1.00 1.40 C ATOM 1774 C ARG A 115 15.430 4.504 -7.280 1.00 1.25 C ATOM 1775 O ARG A 115 16.165 5.411 -7.621 1.00 1.55 O ATOM 1776 CB ARG A 115 13.089 4.829 -8.140 1.00 1.86 C ATOM 1777 CG ARG A 115 12.004 4.234 -9.040 1.00 2.43 C ATOM 1778 CD ARG A 115 11.141 5.358 -9.616 1.00 2.92 C ATOM 1779 NE ARG A 115 10.462 4.754 -10.797 1.00 3.45 N ATOM 1780 CZ ARG A 115 9.223 4.353 -10.704 1.00 3.99 C ATOM 1781 NH1 ARG A 115 8.313 5.153 -10.220 1.00 4.34 N ATOM 1782 NH2 ARG A 115 8.896 3.152 -11.096 1.00 4.52 N ATOM 0 H ARG A 115 13.377 2.581 -6.919 1.00 1.09 H new ATOM 0 HA ARG A 115 14.779 3.962 -9.222 1.00 1.40 H new ATOM 0 HB2 ARG A 115 12.735 4.879 -7.110 1.00 1.86 H new ATOM 0 HB3 ARG A 115 13.314 5.850 -8.450 1.00 1.86 H new ATOM 0 HG2 ARG A 115 12.461 3.662 -9.848 1.00 2.43 H new ATOM 0 HG3 ARG A 115 11.384 3.542 -8.470 1.00 2.43 H new ATOM 0 HD2 ARG A 115 10.417 5.715 -8.884 1.00 2.92 H new ATOM 0 HD3 ARG A 115 11.750 6.215 -9.906 1.00 2.92 H new ATOM 0 HE ARG A 115 10.965 4.654 -11.678 1.00 3.45 H new ATOM 0 HH11 ARG A 115 8.570 6.092 -9.914 1.00 4.34 H new ATOM 0 HH12 ARG A 115 7.345 4.840 -10.147 1.00 4.34 H new ATOM 0 HH21 ARG A 115 9.608 2.528 -11.475 1.00 4.52 H new ATOM 0 HH22 ARG A 115 7.928 2.838 -11.024 1.00 4.52 H new ATOM 1796 N THR A 116 15.536 3.958 -6.099 1.00 1.09 N ATOM 1797 CA THR A 116 16.573 4.449 -5.144 1.00 1.33 C ATOM 1798 C THR A 116 17.843 3.600 -5.254 1.00 1.97 C ATOM 1799 O THR A 116 18.945 4.100 -5.142 1.00 2.63 O ATOM 1800 CB THR A 116 15.941 4.293 -3.759 1.00 1.60 C ATOM 1801 OG1 THR A 116 15.636 2.924 -3.532 1.00 2.17 O ATOM 1802 CG2 THR A 116 14.659 5.124 -3.685 1.00 1.81 C ATOM 0 H THR A 116 14.952 3.196 -5.754 1.00 1.09 H new ATOM 0 HA THR A 116 16.864 5.480 -5.346 1.00 1.33 H new ATOM 0 HB THR A 116 16.640 4.641 -2.998 1.00 1.60 H new ATOM 0 HG1 THR A 116 15.119 2.837 -2.704 1.00 2.17 H new ATOM 0 HG21 THR A 116 14.209 5.012 -2.698 1.00 1.81 H new ATOM 0 HG22 THR A 116 14.895 6.174 -3.859 1.00 1.81 H new ATOM 0 HG23 THR A 116 13.957 4.779 -4.444 1.00 1.81 H new ATOM 1810 N GLY A 117 17.699 2.321 -5.469 1.00 2.26 N ATOM 1811 CA GLY A 117 18.901 1.446 -5.584 1.00 3.23 C ATOM 1812 C GLY A 117 19.261 0.891 -4.200 1.00 3.72 C ATOM 1813 O GLY A 117 18.494 1.024 -3.266 1.00 3.64 O ATOM 0 H GLY A 117 16.803 1.844 -5.570 1.00 2.26 H new ATOM 0 HA2 GLY A 117 18.704 0.627 -6.276 1.00 3.23 H new ATOM 0 HA3 GLY A 117 19.739 2.012 -5.990 1.00 3.23 H new ATOM 1817 N PRO A 118 20.419 0.283 -4.109 1.00 4.60 N ATOM 1818 CA PRO A 118 20.869 -0.292 -2.817 1.00 5.37 C ATOM 1819 C PRO A 118 21.277 0.822 -1.849 1.00 5.55 C ATOM 1820 O PRO A 118 22.301 1.456 -2.013 1.00 5.89 O ATOM 1821 CB PRO A 118 22.074 -1.145 -3.202 1.00 6.27 C ATOM 1822 CG PRO A 118 22.586 -0.543 -4.471 1.00 6.17 C ATOM 1823 CD PRO A 118 21.407 0.076 -5.177 1.00 5.22 C ATOM 0 HA PRO A 118 20.092 -0.865 -2.311 1.00 5.37 H new ATOM 0 HB2 PRO A 118 22.835 -1.127 -2.422 1.00 6.27 H new ATOM 0 HB3 PRO A 118 21.790 -2.187 -3.346 1.00 6.27 H new ATOM 0 HG2 PRO A 118 23.347 0.209 -4.261 1.00 6.17 H new ATOM 0 HG3 PRO A 118 23.053 -1.303 -5.097 1.00 6.17 H new ATOM 0 HD2 PRO A 118 21.678 1.016 -5.657 1.00 5.22 H new ATOM 0 HD3 PRO A 118 21.020 -0.580 -5.957 1.00 5.22 H new ATOM 1831 N ALA A 119 20.485 1.065 -0.842 1.00 5.74 N ATOM 1832 CA ALA A 119 20.828 2.137 0.136 1.00 6.37 C ATOM 1833 C ALA A 119 21.983 1.680 1.032 1.00 7.12 C ATOM 1834 O ALA A 119 22.373 0.530 1.021 1.00 7.52 O ATOM 1835 CB ALA A 119 19.557 2.345 0.960 1.00 6.62 C ATOM 0 H ALA A 119 19.615 0.568 -0.653 1.00 5.74 H new ATOM 0 HA ALA A 119 21.149 3.057 -0.353 1.00 6.37 H new ATOM 0 HB1 ALA A 119 19.729 3.122 1.705 1.00 6.62 H new ATOM 0 HB2 ALA A 119 18.742 2.647 0.302 1.00 6.62 H new ATOM 0 HB3 ALA A 119 19.292 1.414 1.461 1.00 6.62 H new ATOM 1841 N ALA A 120 22.532 2.573 1.809 1.00 7.64 N ATOM 1842 CA ALA A 120 23.661 2.189 2.705 1.00 8.64 C ATOM 1843 C ALA A 120 23.277 2.416 4.169 1.00 9.09 C ATOM 1844 O ALA A 120 24.052 3.038 4.876 1.00 9.37 O ATOM 1845 CB ALA A 120 24.814 3.107 2.303 1.00 9.17 C ATOM 1846 OXT ALA A 120 22.211 1.964 4.558 1.00 9.38 O ATOM 0 H ALA A 120 22.248 3.551 1.863 1.00 7.64 H new ATOM 0 HA ALA A 120 23.926 1.136 2.608 1.00 8.64 H new ATOM 0 HB1 ALA A 120 25.686 2.887 2.919 1.00 9.17 H new ATOM 0 HB2 ALA A 120 25.060 2.944 1.254 1.00 9.17 H new ATOM 0 HB3 ALA A 120 24.520 4.146 2.450 1.00 9.17 H new TER 1852 ALA A 120