USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 869 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 NoAdj-H: A 5 GLU H : A 5 GLU N : A 4 GLU OE1 :(H bumps) USER MOD NoAdj-H: A 86 LYS HZ1 : A 86 LYS NZ : A 98 GLU OE2 :(NH2R) USER MOD NoAdj-H: A 86 LYS HZ3 : A 86 LYS NZ : A 98 GLU OE2 :(NH2R) USER MOD Set 1.1: A 32 TYR OH : rot 0:sc= 0.485 USER MOD Set 1.2: A 64 LYS NZ :NH3+ -168:sc= 1.02 (180deg=-0.0702) USER MOD Single : A 8 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.65) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -5.68! C(o=-5.7!,f=-22!) USER MOD Single : A 24 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-2.2!) 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 38 HIS : no HD1:sc= -0.604 K(o=-0.6,f=-1.6!) USER MOD Single : A 40 LYS NZ :NH3+ -153:sc= 1.06 (180deg=-0.4) USER MOD Single : A 46 TYR OH : rot -164:sc= -5.3! USER MOD Single : A 48 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0786) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -70:sc= -2.94! USER MOD Single : A 68 THR OG1 : rot -37:sc= 1.03 USER MOD Single : A 71 SER OG : rot -60:sc= 0.724 USER MOD Single : A 75 GLN : amide:sc= -0.0831 K(o=-0.083,f=-1.1) USER MOD Single : A 76 GLN : amide:sc= -0.302 K(o=-0.3,f=-3.7!) USER MOD Single : A 77 TYR OH : rot -159:sc= 1.52 USER MOD Single : A 82 TYR OH : rot 165:sc= -1.16! USER MOD Single : A 84 THR OG1 : rot -34:sc= -2.38! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -6.33! C(o=-6.3!,f=-13!) USER MOD Single : A 93 THR OG1 : rot 160:sc= 0 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= -4.64! USER MOD Single : A 100 THR OG1 : rot 54:sc= 0.74 USER MOD Single : A 110 ASN : amide:sc= -0.668 K(o=-0.67,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 ----------------------------------------------------------------- ATOM 39 N GLU A 4 -4.370 4.884 12.508 1.00 1.37 N ATOM 40 CA GLU A 4 -4.252 3.497 13.043 1.00 1.14 C ATOM 41 C GLU A 4 -3.295 2.669 12.180 1.00 0.89 C ATOM 42 O GLU A 4 -3.136 2.914 11.001 1.00 1.30 O ATOM 43 CB GLU A 4 -5.667 2.922 12.975 1.00 1.67 C ATOM 44 CG GLU A 4 -5.826 1.835 14.040 1.00 2.39 C ATOM 45 CD GLU A 4 -4.467 1.545 14.680 1.00 2.65 C ATOM 46 OE1 GLU A 4 -3.552 1.198 13.950 1.00 3.05 O ATOM 47 OE2 GLU A 4 -4.364 1.672 15.889 1.00 3.09 O ATOM 0 HA GLU A 4 -3.853 3.483 14.057 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -6.401 3.712 13.134 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -5.855 2.507 11.985 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -6.537 2.158 14.801 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -6.230 0.927 13.591 1.00 2.39 H new ATOM 54 N GLU A 5 -2.657 1.689 12.762 1.00 1.00 N ATOM 55 CA GLU A 5 -1.712 0.842 11.978 1.00 0.81 C ATOM 56 C GLU A 5 -2.152 -0.623 12.031 1.00 0.87 C ATOM 57 O GLU A 5 -2.977 -1.003 12.837 1.00 1.15 O ATOM 58 CB GLU A 5 -0.358 1.021 12.665 1.00 0.95 C ATOM 59 CG GLU A 5 0.276 2.336 12.205 1.00 1.46 C ATOM 60 CD GLU A 5 1.744 2.099 11.848 1.00 1.82 C ATOM 61 OE1 GLU A 5 2.493 1.714 12.731 1.00 2.19 O ATOM 62 OE2 GLU A 5 2.095 2.306 10.698 1.00 2.50 O ATOM 0 HA GLU A 5 -1.675 1.126 10.926 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -0.485 1.025 13.748 1.00 0.95 H new ATOM 0 HB3 GLU A 5 0.298 0.184 12.424 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -0.260 2.728 11.341 1.00 1.46 H new ATOM 0 HG3 GLU A 5 0.199 3.084 12.994 1.00 1.46 H new ATOM 69 N GLU A 6 -1.614 -1.450 11.174 1.00 0.79 N ATOM 70 CA GLU A 6 -2.012 -2.885 11.178 1.00 1.04 C ATOM 71 C GLU A 6 -0.778 -3.788 11.077 1.00 1.10 C ATOM 72 O GLU A 6 -0.030 -3.730 10.121 1.00 1.76 O ATOM 73 CB GLU A 6 -2.894 -3.044 9.941 1.00 1.28 C ATOM 74 CG GLU A 6 -4.363 -2.888 10.340 1.00 1.68 C ATOM 75 CD GLU A 6 -4.772 -4.049 11.247 1.00 1.97 C ATOM 76 OE1 GLU A 6 -4.779 -5.173 10.773 1.00 2.24 O ATOM 77 OE2 GLU A 6 -5.072 -3.795 12.402 1.00 2.63 O ATOM 0 H GLU A 6 -0.918 -1.193 10.474 1.00 0.79 H new ATOM 0 HA GLU A 6 -2.529 -3.167 12.095 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -2.628 -2.297 9.193 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -2.731 -4.022 9.488 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -4.512 -1.940 10.856 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -4.992 -2.869 9.450 1.00 1.68 H new ATOM 84 N ASP A 7 -0.566 -4.626 12.058 1.00 1.27 N ATOM 85 CA ASP A 7 0.613 -5.543 12.028 1.00 1.35 C ATOM 86 C ASP A 7 1.913 -4.745 11.858 1.00 1.28 C ATOM 87 O ASP A 7 2.544 -4.364 12.823 1.00 2.01 O ATOM 88 CB ASP A 7 0.373 -6.463 10.829 1.00 1.53 C ATOM 89 CG ASP A 7 -0.350 -7.729 11.294 1.00 1.92 C ATOM 90 OD1 ASP A 7 0.327 -8.656 11.708 1.00 2.57 O ATOM 91 OD2 ASP A 7 -1.568 -7.751 11.227 1.00 2.36 O ATOM 0 H ASP A 7 -1.161 -4.715 12.882 1.00 1.27 H new ATOM 0 HA ASP A 7 0.718 -6.107 12.955 1.00 1.35 H new ATOM 0 HB2 ASP A 7 -0.222 -5.948 10.075 1.00 1.53 H new ATOM 0 HB3 ASP A 7 1.322 -6.724 10.362 1.00 1.53 H new ATOM 96 N HIS A 8 2.321 -4.486 10.643 1.00 1.21 N ATOM 97 CA HIS A 8 3.580 -3.713 10.431 1.00 1.11 C ATOM 98 C HIS A 8 3.401 -2.708 9.287 1.00 0.81 C ATOM 99 O HIS A 8 4.358 -2.191 8.748 1.00 0.87 O ATOM 100 CB HIS A 8 4.631 -4.761 10.065 1.00 1.32 C ATOM 101 CG HIS A 8 5.865 -4.551 10.901 1.00 1.61 C ATOM 102 ND1 HIS A 8 6.903 -3.728 10.496 1.00 2.30 N ATOM 103 CD2 HIS A 8 6.240 -5.056 12.121 1.00 2.02 C ATOM 104 CE1 HIS A 8 7.844 -3.760 11.458 1.00 2.53 C ATOM 105 NE2 HIS A 8 7.491 -4.555 12.471 1.00 2.33 N ATOM 0 H HIS A 8 1.839 -4.775 9.792 1.00 1.21 H new ATOM 0 HA HIS A 8 3.865 -3.140 11.313 1.00 1.11 H new ATOM 0 HB2 HIS A 8 4.234 -5.762 10.230 1.00 1.32 H new ATOM 0 HB3 HIS A 8 4.880 -4.687 9.006 1.00 1.32 H new ATOM 0 HD2 HIS A 8 5.654 -5.738 12.719 1.00 2.02 H new ATOM 0 HE1 HIS A 8 8.772 -3.209 11.416 1.00 2.53 H new ATOM 0 HE2 HIS A 8 8.023 -4.753 13.318 1.00 2.33 H new ATOM 113 N VAL A 9 2.181 -2.427 8.915 1.00 0.69 N ATOM 114 CA VAL A 9 1.942 -1.457 7.810 1.00 0.49 C ATOM 115 C VAL A 9 0.879 -0.442 8.241 1.00 0.41 C ATOM 116 O VAL A 9 0.262 -0.582 9.277 1.00 0.54 O ATOM 117 CB VAL A 9 1.442 -2.298 6.629 1.00 0.68 C ATOM 118 CG1 VAL A 9 1.370 -1.425 5.374 1.00 0.88 C ATOM 119 CG2 VAL A 9 2.405 -3.462 6.376 1.00 0.89 C ATOM 0 H VAL A 9 1.340 -2.828 9.329 1.00 0.69 H new ATOM 0 HA VAL A 9 2.839 -0.897 7.546 1.00 0.49 H new ATOM 0 HB VAL A 9 0.452 -2.689 6.864 1.00 0.68 H new ATOM 0 HG11 VAL A 9 1.015 -2.023 4.535 1.00 0.88 H new ATOM 0 HG12 VAL A 9 0.683 -0.597 5.546 1.00 0.88 H new ATOM 0 HG13 VAL A 9 2.361 -1.033 5.146 1.00 0.88 H new ATOM 0 HG21 VAL A 9 2.045 -4.056 5.536 1.00 0.89 H new ATOM 0 HG22 VAL A 9 3.396 -3.071 6.145 1.00 0.89 H new ATOM 0 HG23 VAL A 9 2.460 -4.089 7.266 1.00 0.89 H new ATOM 129 N LEU A 10 0.666 0.582 7.463 1.00 0.41 N ATOM 130 CA LEU A 10 -0.351 1.605 7.842 1.00 0.54 C ATOM 131 C LEU A 10 -1.723 1.248 7.261 1.00 0.42 C ATOM 132 O LEU A 10 -1.869 0.306 6.508 1.00 0.59 O ATOM 133 CB LEU A 10 0.161 2.911 7.236 1.00 0.83 C ATOM 134 CG LEU A 10 0.003 4.041 8.254 1.00 0.96 C ATOM 135 CD1 LEU A 10 1.378 4.427 8.802 1.00 1.49 C ATOM 136 CD2 LEU A 10 -0.636 5.254 7.576 1.00 1.30 C ATOM 0 H LEU A 10 1.151 0.756 6.582 1.00 0.41 H new ATOM 0 HA LEU A 10 -0.478 1.672 8.922 1.00 0.54 H new ATOM 0 HB2 LEU A 10 1.208 2.807 6.952 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -0.394 3.145 6.328 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.634 3.707 9.073 1.00 0.96 H new ATOM 0 HD11 LEU A 10 1.267 5.233 9.528 1.00 1.49 H new ATOM 0 HD12 LEU A 10 1.833 3.562 9.286 1.00 1.49 H new ATOM 0 HD13 LEU A 10 2.015 4.761 7.983 1.00 1.49 H new ATOM 0 HD21 LEU A 10 -0.748 6.059 8.302 1.00 1.30 H new ATOM 0 HD22 LEU A 10 -0.000 5.590 6.757 1.00 1.30 H new ATOM 0 HD23 LEU A 10 -1.616 4.978 7.185 1.00 1.30 H new ATOM 148 N VAL A 11 -2.727 2.003 7.605 1.00 0.54 N ATOM 149 CA VAL A 11 -4.091 1.725 7.075 1.00 0.46 C ATOM 150 C VAL A 11 -4.671 3.001 6.462 1.00 0.43 C ATOM 151 O VAL A 11 -4.247 4.095 6.777 1.00 0.54 O ATOM 152 CB VAL A 11 -4.911 1.285 8.288 1.00 0.61 C ATOM 153 CG1 VAL A 11 -6.333 0.936 7.843 1.00 1.04 C ATOM 154 CG2 VAL A 11 -4.261 0.052 8.923 1.00 1.39 C ATOM 0 H VAL A 11 -2.662 2.804 8.233 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.091 0.962 6.296 1.00 0.46 H new ATOM 0 HB VAL A 11 -4.945 2.095 9.016 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -6.918 0.622 8.707 1.00 1.04 H new ATOM 0 HG12 VAL A 11 -6.797 1.811 7.389 1.00 1.04 H new ATOM 0 HG13 VAL A 11 -6.298 0.125 7.115 1.00 1.04 H new ATOM 0 HG21 VAL A 11 -4.845 -0.262 9.788 1.00 1.39 H new ATOM 0 HG22 VAL A 11 -4.227 -0.758 8.194 1.00 1.39 H new ATOM 0 HG23 VAL A 11 -3.247 0.297 9.239 1.00 1.39 H new ATOM 164 N LEU A 12 -5.630 2.876 5.587 1.00 0.40 N ATOM 165 CA LEU A 12 -6.214 4.096 4.961 1.00 0.45 C ATOM 166 C LEU A 12 -7.724 4.151 5.197 1.00 0.44 C ATOM 167 O LEU A 12 -8.335 3.188 5.617 1.00 0.58 O ATOM 168 CB LEU A 12 -5.909 3.962 3.466 1.00 0.63 C ATOM 169 CG LEU A 12 -4.636 4.735 3.112 1.00 0.76 C ATOM 170 CD1 LEU A 12 -4.780 6.195 3.531 1.00 0.82 C ATOM 171 CD2 LEU A 12 -3.448 4.121 3.846 1.00 1.16 C ATOM 0 H LEU A 12 -6.032 1.990 5.280 1.00 0.40 H new ATOM 0 HA LEU A 12 -5.797 5.010 5.383 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -5.788 2.911 3.205 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.747 4.341 2.881 1.00 0.63 H new ATOM 0 HG LEU A 12 -4.475 4.681 2.035 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -3.870 6.738 3.276 1.00 0.82 H new ATOM 0 HD12 LEU A 12 -5.627 6.641 3.010 1.00 0.82 H new ATOM 0 HD13 LEU A 12 -4.946 6.250 4.607 1.00 0.82 H new ATOM 0 HD21 LEU A 12 -2.541 4.671 3.594 1.00 1.16 H new ATOM 0 HD22 LEU A 12 -3.618 4.174 4.921 1.00 1.16 H new ATOM 0 HD23 LEU A 12 -3.335 3.079 3.547 1.00 1.16 H new ATOM 183 N ARG A 13 -8.327 5.275 4.926 1.00 0.47 N ATOM 184 CA ARG A 13 -9.798 5.403 5.130 1.00 0.55 C ATOM 185 C ARG A 13 -10.383 6.400 4.125 1.00 0.54 C ATOM 186 O ARG A 13 -9.791 6.689 3.106 1.00 0.73 O ATOM 187 CB ARG A 13 -9.960 5.916 6.561 1.00 0.69 C ATOM 188 CG ARG A 13 -10.596 4.823 7.423 1.00 1.19 C ATOM 189 CD ARG A 13 -11.421 5.467 8.539 1.00 1.28 C ATOM 190 NE ARG A 13 -10.843 4.925 9.801 1.00 1.86 N ATOM 191 CZ ARG A 13 -11.625 4.413 10.712 1.00 2.30 C ATOM 192 NH1 ARG A 13 -12.351 5.195 11.464 1.00 2.68 N ATOM 193 NH2 ARG A 13 -11.680 3.119 10.873 1.00 2.84 N ATOM 0 H ARG A 13 -7.864 6.112 4.571 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.321 4.459 4.980 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -8.990 6.199 6.970 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -10.583 6.810 6.570 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -11.231 4.185 6.809 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -9.822 4.186 7.850 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -11.350 6.554 8.506 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -12.477 5.214 8.447 1.00 1.28 H new ATOM 0 HE ARG A 13 -9.835 4.954 9.953 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -12.307 6.206 11.340 1.00 2.68 H new ATOM 0 HH12 ARG A 13 -12.962 4.795 12.176 1.00 2.68 H new ATOM 0 HH21 ARG A 13 -11.112 2.508 10.287 1.00 2.84 H new ATOM 0 HH22 ARG A 13 -12.291 2.719 11.585 1.00 2.84 H new ATOM 207 N LYS A 14 -11.548 6.918 4.403 1.00 0.58 N ATOM 208 CA LYS A 14 -12.185 7.888 3.463 1.00 0.63 C ATOM 209 C LYS A 14 -11.833 9.327 3.837 1.00 0.65 C ATOM 210 O LYS A 14 -11.753 10.197 2.993 1.00 0.83 O ATOM 211 CB LYS A 14 -13.683 7.662 3.642 1.00 0.74 C ATOM 212 CG LYS A 14 -14.409 7.967 2.330 1.00 1.26 C ATOM 213 CD LYS A 14 -14.847 9.433 2.322 1.00 1.92 C ATOM 214 CE LYS A 14 -15.771 9.683 1.127 1.00 2.26 C ATOM 215 NZ LYS A 14 -15.327 10.988 0.563 1.00 2.80 N ATOM 0 H LYS A 14 -12.089 6.712 5.243 1.00 0.58 H new ATOM 0 HA LYS A 14 -11.849 7.739 2.437 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -13.872 6.632 3.943 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.065 8.302 4.438 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -13.753 7.767 1.483 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -15.276 7.316 2.221 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -15.363 9.675 3.251 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -13.975 10.084 2.263 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -15.687 8.885 0.389 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -16.815 9.722 1.437 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -15.914 11.228 -0.261 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -15.425 11.730 1.285 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -14.331 10.919 0.270 1.00 2.80 H new ATOM 229 N SER A 15 -11.649 9.590 5.098 1.00 0.68 N ATOM 230 CA SER A 15 -11.332 10.980 5.530 1.00 0.88 C ATOM 231 C SER A 15 -9.838 11.142 5.812 1.00 0.81 C ATOM 232 O SER A 15 -9.421 12.110 6.420 1.00 1.05 O ATOM 233 CB SER A 15 -12.137 11.175 6.813 1.00 1.10 C ATOM 234 OG SER A 15 -13.496 11.422 6.487 1.00 1.68 O ATOM 0 H SER A 15 -11.704 8.903 5.850 1.00 0.68 H new ATOM 0 HA SER A 15 -11.580 11.712 4.761 1.00 0.88 H new ATOM 0 HB2 SER A 15 -12.058 10.289 7.442 1.00 1.10 H new ATOM 0 HB3 SER A 15 -11.732 12.009 7.386 1.00 1.10 H new ATOM 0 HG SER A 15 -14.013 11.545 7.311 1.00 1.68 H new ATOM 240 N ASN A 16 -9.025 10.216 5.385 1.00 0.65 N ATOM 241 CA ASN A 16 -7.566 10.354 5.649 1.00 0.68 C ATOM 242 C ASN A 16 -6.733 9.794 4.489 1.00 0.55 C ATOM 243 O ASN A 16 -5.551 9.552 4.630 1.00 0.56 O ATOM 244 CB ASN A 16 -7.315 9.566 6.940 1.00 0.87 C ATOM 245 CG ASN A 16 -7.481 8.066 6.683 1.00 0.91 C ATOM 246 OD1 ASN A 16 -8.051 7.669 5.685 1.00 1.74 O ATOM 247 ND2 ASN A 16 -6.999 7.213 7.545 1.00 0.98 N ATOM 0 H ASN A 16 -9.303 9.380 4.871 1.00 0.65 H new ATOM 0 HA ASN A 16 -7.272 11.399 5.747 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -6.310 9.770 7.310 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -8.011 9.889 7.714 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -7.100 6.211 7.382 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -6.521 7.548 8.382 1.00 0.98 H new ATOM 254 N PHE A 17 -7.329 9.587 3.344 1.00 0.55 N ATOM 255 CA PHE A 17 -6.541 9.045 2.198 1.00 0.51 C ATOM 256 C PHE A 17 -5.386 9.993 1.862 1.00 0.46 C ATOM 257 O PHE A 17 -4.231 9.674 2.057 1.00 0.52 O ATOM 258 CB PHE A 17 -7.522 8.955 1.027 1.00 0.56 C ATOM 259 CG PHE A 17 -6.872 8.192 -0.105 1.00 0.62 C ATOM 260 CD1 PHE A 17 -5.799 8.758 -0.801 1.00 0.79 C ATOM 261 CD2 PHE A 17 -7.349 6.924 -0.465 1.00 0.78 C ATOM 262 CE1 PHE A 17 -5.201 8.058 -1.853 1.00 0.90 C ATOM 263 CE2 PHE A 17 -6.750 6.224 -1.518 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.660 6.767 -2.187 1.00 0.87 C ATOM 0 H PHE A 17 -8.315 9.767 3.154 1.00 0.55 H new ATOM 0 HA PHE A 17 -6.104 8.073 2.426 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -8.438 8.454 1.341 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -7.803 9.954 0.694 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -5.432 9.736 -0.526 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -8.179 6.487 0.071 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -4.390 8.505 -2.408 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -7.136 5.259 -1.812 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.165 6.201 -2.962 1.00 0.87 H new ATOM 274 N ALA A 18 -5.689 11.158 1.355 1.00 0.52 N ATOM 275 CA ALA A 18 -4.609 12.125 1.005 1.00 0.66 C ATOM 276 C ALA A 18 -3.791 12.477 2.250 1.00 0.59 C ATOM 277 O ALA A 18 -2.667 12.927 2.159 1.00 0.75 O ATOM 278 CB ALA A 18 -5.339 13.359 0.475 1.00 0.84 C ATOM 0 H ALA A 18 -6.638 11.482 1.168 1.00 0.52 H new ATOM 0 HA ALA A 18 -3.912 11.719 0.272 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -4.611 14.120 0.195 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -5.931 13.084 -0.398 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -5.996 13.754 1.250 1.00 0.84 H new ATOM 284 N GLU A 19 -4.348 12.274 3.413 1.00 0.46 N ATOM 285 CA GLU A 19 -3.601 12.593 4.662 1.00 0.49 C ATOM 286 C GLU A 19 -2.391 11.669 4.798 1.00 0.48 C ATOM 287 O GLU A 19 -1.261 12.112 4.874 1.00 0.56 O ATOM 288 CB GLU A 19 -4.597 12.336 5.791 1.00 0.55 C ATOM 289 CG GLU A 19 -4.008 12.834 7.113 1.00 0.69 C ATOM 290 CD GLU A 19 -5.075 13.609 7.887 1.00 1.04 C ATOM 291 OE1 GLU A 19 -6.245 13.405 7.611 1.00 1.78 O ATOM 292 OE2 GLU A 19 -4.703 14.394 8.744 1.00 1.66 O ATOM 0 H GLU A 19 -5.287 11.901 3.552 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.226 13.616 4.673 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.537 12.847 5.584 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.820 11.271 5.858 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -3.654 11.991 7.706 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -3.146 13.473 6.921 1.00 0.69 H new ATOM 299 N ALA A 20 -2.621 10.386 4.827 1.00 0.45 N ATOM 300 CA ALA A 20 -1.488 9.426 4.958 1.00 0.53 C ATOM 301 C ALA A 20 -0.425 9.710 3.895 1.00 0.57 C ATOM 302 O ALA A 20 0.759 9.608 4.147 1.00 0.71 O ATOM 303 CB ALA A 20 -2.108 8.045 4.740 1.00 0.57 C ATOM 0 H ALA A 20 -3.546 9.960 4.766 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.995 9.503 5.927 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -1.334 7.282 4.821 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.874 7.867 5.495 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.558 8.001 3.748 1.00 0.57 H new ATOM 309 N LEU A 21 -0.837 10.071 2.713 1.00 0.55 N ATOM 310 CA LEU A 21 0.158 10.365 1.646 1.00 0.69 C ATOM 311 C LEU A 21 1.046 11.530 2.077 1.00 0.75 C ATOM 312 O LEU A 21 2.246 11.513 1.891 1.00 0.92 O ATOM 313 CB LEU A 21 -0.666 10.738 0.407 1.00 0.74 C ATOM 314 CG LEU A 21 -1.408 9.501 -0.115 1.00 0.84 C ATOM 315 CD1 LEU A 21 -2.381 9.909 -1.221 1.00 0.90 C ATOM 316 CD2 LEU A 21 -0.407 8.501 -0.690 1.00 1.44 C ATOM 0 H LEU A 21 -1.814 10.175 2.440 1.00 0.55 H new ATOM 0 HA LEU A 21 0.813 9.517 1.445 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -1.380 11.523 0.656 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -0.013 11.136 -0.369 1.00 0.74 H new ATOM 0 HG LEU A 21 -1.954 9.046 0.711 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -2.905 9.027 -1.588 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -3.104 10.622 -0.825 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -1.829 10.370 -2.040 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -0.940 7.625 -1.059 1.00 1.44 H new ATOM 0 HD22 LEU A 21 0.141 8.965 -1.510 1.00 1.44 H new ATOM 0 HD23 LEU A 21 0.293 8.199 0.089 1.00 1.44 H new ATOM 328 N ALA A 22 0.465 12.540 2.658 1.00 0.71 N ATOM 329 CA ALA A 22 1.275 13.707 3.108 1.00 0.85 C ATOM 330 C ALA A 22 2.298 13.257 4.154 1.00 0.89 C ATOM 331 O ALA A 22 3.323 13.883 4.344 1.00 1.08 O ATOM 332 CB ALA A 22 0.267 14.677 3.725 1.00 1.00 C ATOM 0 H ALA A 22 -0.536 12.609 2.841 1.00 0.71 H new ATOM 0 HA ALA A 22 1.831 14.168 2.291 1.00 0.85 H new ATOM 0 HB1 ALA A 22 0.788 15.565 4.081 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -0.468 14.965 2.973 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -0.239 14.193 4.561 1.00 1.00 H new ATOM 338 N ALA A 23 2.029 12.174 4.831 1.00 0.86 N ATOM 339 CA ALA A 23 2.985 11.681 5.862 1.00 0.93 C ATOM 340 C ALA A 23 4.342 11.376 5.220 1.00 0.85 C ATOM 341 O ALA A 23 5.351 11.949 5.578 1.00 0.95 O ATOM 342 CB ALA A 23 2.353 10.402 6.410 1.00 1.05 C ATOM 0 H ALA A 23 1.188 11.609 4.714 1.00 0.86 H new ATOM 0 HA ALA A 23 3.162 12.416 6.647 1.00 0.93 H new ATOM 0 HB1 ALA A 23 3.000 9.977 7.178 1.00 1.05 H new ATOM 0 HB2 ALA A 23 1.380 10.634 6.843 1.00 1.05 H new ATOM 0 HB3 ALA A 23 2.228 9.682 5.601 1.00 1.05 H new ATOM 348 N HIS A 24 4.373 10.478 4.272 1.00 0.83 N ATOM 349 CA HIS A 24 5.667 10.143 3.610 1.00 0.84 C ATOM 350 C HIS A 24 5.548 10.318 2.094 1.00 0.82 C ATOM 351 O HIS A 24 4.484 10.175 1.526 1.00 1.30 O ATOM 352 CB HIS A 24 5.924 8.677 3.959 1.00 0.95 C ATOM 353 CG HIS A 24 6.100 8.540 5.446 1.00 1.22 C ATOM 354 ND1 HIS A 24 5.084 8.088 6.273 1.00 1.80 N ATOM 355 CD2 HIS A 24 7.169 8.794 6.270 1.00 1.84 C ATOM 356 CE1 HIS A 24 5.557 8.084 7.532 1.00 2.04 C ATOM 357 NE2 HIS A 24 6.823 8.506 7.587 1.00 2.00 N ATOM 0 H HIS A 24 3.562 9.964 3.928 1.00 0.83 H new ATOM 0 HA HIS A 24 6.478 10.790 3.942 1.00 0.84 H new ATOM 0 HB2 HIS A 24 5.091 8.060 3.622 1.00 0.95 H new ATOM 0 HB3 HIS A 24 6.815 8.320 3.442 1.00 0.95 H new ATOM 0 HD2 HIS A 24 8.131 9.161 5.945 1.00 1.84 H new ATOM 0 HE1 HIS A 24 4.983 7.777 8.394 1.00 2.04 H new ATOM 0 HE2 HIS A 24 7.410 8.598 8.416 1.00 2.00 H new ATOM 365 N LYS A 25 6.632 10.625 1.434 1.00 0.72 N ATOM 366 CA LYS A 25 6.580 10.804 -0.046 1.00 0.69 C ATOM 367 C LYS A 25 5.935 9.579 -0.700 1.00 0.59 C ATOM 368 O LYS A 25 4.764 9.582 -1.025 1.00 0.68 O ATOM 369 CB LYS A 25 8.040 10.940 -0.481 1.00 0.81 C ATOM 370 CG LYS A 25 8.392 12.420 -0.641 1.00 1.20 C ATOM 371 CD LYS A 25 8.859 12.980 0.704 1.00 1.51 C ATOM 372 CE LYS A 25 10.384 13.098 0.707 1.00 2.06 C ATOM 373 NZ LYS A 25 10.664 14.461 1.236 1.00 2.47 N ATOM 0 H LYS A 25 7.551 10.760 1.855 1.00 0.72 H new ATOM 0 HA LYS A 25 5.987 11.671 -0.339 1.00 0.69 H new ATOM 0 HB2 LYS A 25 8.695 10.478 0.258 1.00 0.81 H new ATOM 0 HB3 LYS A 25 8.200 10.414 -1.422 1.00 0.81 H new ATOM 0 HG2 LYS A 25 9.176 12.540 -1.389 1.00 1.20 H new ATOM 0 HG3 LYS A 25 7.524 12.975 -0.997 1.00 1.20 H new ATOM 0 HD2 LYS A 25 8.408 13.957 0.879 1.00 1.51 H new ATOM 0 HD3 LYS A 25 8.533 12.328 1.514 1.00 1.51 H new ATOM 0 HE2 LYS A 25 10.838 12.330 1.334 1.00 2.06 H new ATOM 0 HE3 LYS A 25 10.792 12.973 -0.296 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 11.692 14.617 1.268 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 10.225 15.171 0.615 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 10.271 14.549 2.195 1.00 2.47 H new ATOM 387 N TYR A 26 6.687 8.531 -0.889 1.00 0.52 N ATOM 388 CA TYR A 26 6.112 7.304 -1.514 1.00 0.48 C ATOM 389 C TYR A 26 5.221 6.581 -0.503 1.00 0.46 C ATOM 390 O TYR A 26 5.597 6.379 0.635 1.00 0.53 O ATOM 391 CB TYR A 26 7.313 6.427 -1.883 1.00 0.56 C ATOM 392 CG TYR A 26 8.315 7.227 -2.683 1.00 0.65 C ATOM 393 CD1 TYR A 26 7.881 8.081 -3.704 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.680 7.112 -2.400 1.00 1.08 C ATOM 395 CE1 TYR A 26 8.813 8.820 -4.441 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.613 7.852 -3.137 1.00 1.31 C ATOM 397 CZ TYR A 26 10.179 8.706 -4.158 1.00 1.08 C ATOM 398 OH TYR A 26 11.098 9.435 -4.884 1.00 1.33 O ATOM 0 H TYR A 26 7.674 8.469 -0.639 1.00 0.52 H new ATOM 0 HA TYR A 26 5.502 7.536 -2.387 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.783 6.042 -0.978 1.00 0.56 H new ATOM 0 HB3 TYR A 26 6.980 5.565 -2.461 1.00 0.56 H new ATOM 0 HD1 TYR A 26 6.827 8.169 -3.923 1.00 0.75 H new ATOM 0 HD2 TYR A 26 10.014 6.452 -1.613 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.478 9.479 -5.229 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.667 7.764 -2.918 1.00 1.31 H new ATOM 0 HH TYR A 26 12.001 9.239 -4.558 1.00 1.33 H new ATOM 408 N LEU A 27 4.043 6.190 -0.902 1.00 0.46 N ATOM 409 CA LEU A 27 3.139 5.486 0.048 1.00 0.45 C ATOM 410 C LEU A 27 2.326 4.421 -0.685 1.00 0.40 C ATOM 411 O LEU A 27 1.795 4.659 -1.753 1.00 0.50 O ATOM 412 CB LEU A 27 2.216 6.571 0.592 1.00 0.51 C ATOM 413 CG LEU A 27 1.775 6.203 2.009 1.00 0.77 C ATOM 414 CD1 LEU A 27 2.894 6.542 2.994 1.00 0.66 C ATOM 415 CD2 LEU A 27 0.518 6.993 2.374 1.00 1.93 C ATOM 0 H LEU A 27 3.669 6.327 -1.841 1.00 0.46 H new ATOM 0 HA LEU A 27 3.691 4.979 0.840 1.00 0.45 H new ATOM 0 HB2 LEU A 27 2.731 7.532 0.598 1.00 0.51 H new ATOM 0 HB3 LEU A 27 1.345 6.680 -0.054 1.00 0.51 H new ATOM 0 HG LEU A 27 1.559 5.136 2.057 1.00 0.77 H new ATOM 0 HD11 LEU A 27 2.581 6.280 4.005 1.00 0.66 H new ATOM 0 HD12 LEU A 27 3.790 5.979 2.734 1.00 0.66 H new ATOM 0 HD13 LEU A 27 3.110 7.609 2.946 1.00 0.66 H new ATOM 0 HD21 LEU A 27 0.204 6.730 3.384 1.00 1.93 H new ATOM 0 HD22 LEU A 27 0.733 8.061 2.327 1.00 1.93 H new ATOM 0 HD23 LEU A 27 -0.280 6.752 1.672 1.00 1.93 H new ATOM 427 N LEU A 28 2.216 3.253 -0.121 1.00 0.33 N ATOM 428 CA LEU A 28 1.424 2.186 -0.794 1.00 0.32 C ATOM 429 C LEU A 28 0.101 1.972 -0.061 1.00 0.29 C ATOM 430 O LEU A 28 -0.033 2.281 1.105 1.00 0.35 O ATOM 431 CB LEU A 28 2.286 0.927 -0.721 1.00 0.40 C ATOM 432 CG LEU A 28 1.803 -0.069 -1.773 1.00 0.53 C ATOM 433 CD1 LEU A 28 2.257 0.393 -3.158 1.00 0.73 C ATOM 434 CD2 LEU A 28 2.389 -1.449 -1.470 1.00 1.12 C ATOM 0 H LEU A 28 2.636 2.991 0.771 1.00 0.33 H new ATOM 0 HA LEU A 28 1.182 2.447 -1.824 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.333 1.177 -0.892 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.223 0.485 0.273 1.00 0.40 H new ATOM 0 HG LEU A 28 0.715 -0.126 -1.752 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.913 -0.317 -3.910 1.00 0.73 H new ATOM 0 HD12 LEU A 28 1.837 1.377 -3.369 1.00 0.73 H new ATOM 0 HD13 LEU A 28 3.345 0.450 -3.184 1.00 0.73 H new ATOM 0 HD21 LEU A 28 2.046 -2.162 -2.219 1.00 1.12 H new ATOM 0 HD22 LEU A 28 3.477 -1.395 -1.492 1.00 1.12 H new ATOM 0 HD23 LEU A 28 2.062 -1.774 -0.483 1.00 1.12 H new ATOM 446 N VAL A 29 -0.875 1.444 -0.740 1.00 0.32 N ATOM 447 CA VAL A 29 -2.196 1.206 -0.095 1.00 0.32 C ATOM 448 C VAL A 29 -2.974 0.158 -0.897 1.00 0.34 C ATOM 449 O VAL A 29 -3.201 0.309 -2.080 1.00 0.47 O ATOM 450 CB VAL A 29 -2.905 2.566 -0.119 1.00 0.40 C ATOM 451 CG1 VAL A 29 -2.892 3.130 -1.541 1.00 0.77 C ATOM 452 CG2 VAL A 29 -4.352 2.403 0.352 1.00 0.37 C ATOM 0 H VAL A 29 -0.816 1.165 -1.719 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.109 0.827 0.923 1.00 0.32 H new ATOM 0 HB VAL A 29 -2.383 3.253 0.547 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -3.397 4.096 -1.554 1.00 0.77 H new ATOM 0 HG12 VAL A 29 -1.861 3.254 -1.874 1.00 0.77 H new ATOM 0 HG13 VAL A 29 -3.409 2.442 -2.210 1.00 0.77 H new ATOM 0 HG21 VAL A 29 -4.852 3.371 0.333 1.00 0.37 H new ATOM 0 HG22 VAL A 29 -4.874 1.712 -0.310 1.00 0.37 H new ATOM 0 HG23 VAL A 29 -4.362 2.009 1.368 1.00 0.37 H new ATOM 462 N GLU A 30 -3.370 -0.908 -0.260 1.00 0.32 N ATOM 463 CA GLU A 30 -4.119 -1.976 -0.983 1.00 0.39 C ATOM 464 C GLU A 30 -5.572 -2.027 -0.499 1.00 0.36 C ATOM 465 O GLU A 30 -5.881 -1.666 0.617 1.00 0.42 O ATOM 466 CB GLU A 30 -3.371 -3.271 -0.634 1.00 0.52 C ATOM 467 CG GLU A 30 -4.200 -4.496 -1.044 1.00 0.64 C ATOM 468 CD GLU A 30 -3.462 -5.779 -0.645 1.00 0.89 C ATOM 469 OE1 GLU A 30 -2.390 -5.673 -0.070 1.00 1.48 O ATOM 470 OE2 GLU A 30 -3.983 -6.847 -0.922 1.00 1.60 O ATOM 0 H GLU A 30 -3.208 -1.087 0.731 1.00 0.32 H new ATOM 0 HA GLU A 30 -4.162 -1.808 -2.059 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -2.407 -3.290 -1.142 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.167 -3.304 0.436 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -5.177 -4.463 -0.563 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -4.374 -4.485 -2.120 1.00 0.64 H new ATOM 477 N PHE A 31 -6.465 -2.473 -1.340 1.00 0.35 N ATOM 478 CA PHE A 31 -7.893 -2.550 -0.944 1.00 0.36 C ATOM 479 C PHE A 31 -8.376 -4.000 -0.999 1.00 0.39 C ATOM 480 O PHE A 31 -8.557 -4.559 -2.062 1.00 0.49 O ATOM 481 CB PHE A 31 -8.621 -1.710 -1.988 1.00 0.41 C ATOM 482 CG PHE A 31 -8.097 -0.293 -1.961 1.00 0.38 C ATOM 483 CD1 PHE A 31 -6.847 0.002 -2.520 1.00 0.45 C ATOM 484 CD2 PHE A 31 -8.862 0.726 -1.382 1.00 0.53 C ATOM 485 CE1 PHE A 31 -6.363 1.314 -2.498 1.00 0.52 C ATOM 486 CE2 PHE A 31 -8.378 2.039 -1.362 1.00 0.59 C ATOM 487 CZ PHE A 31 -7.128 2.333 -1.920 1.00 0.53 C ATOM 0 H PHE A 31 -6.262 -2.788 -2.289 1.00 0.35 H new ATOM 0 HA PHE A 31 -8.067 -2.195 0.072 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -8.479 -2.141 -2.979 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.693 -1.715 -1.789 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -6.257 -0.784 -2.968 1.00 0.45 H new ATOM 0 HD2 PHE A 31 -9.826 0.499 -0.951 1.00 0.53 H new ATOM 0 HE1 PHE A 31 -5.398 1.541 -2.927 1.00 0.52 H new ATOM 0 HE2 PHE A 31 -8.969 2.826 -0.916 1.00 0.59 H new ATOM 0 HZ PHE A 31 -6.754 3.346 -1.904 1.00 0.53 H new ATOM 497 N TYR A 32 -8.592 -4.616 0.132 1.00 0.37 N ATOM 498 CA TYR A 32 -9.066 -6.030 0.112 1.00 0.44 C ATOM 499 C TYR A 32 -10.195 -6.248 1.115 1.00 0.40 C ATOM 500 O TYR A 32 -10.646 -5.335 1.779 1.00 0.45 O ATOM 501 CB TYR A 32 -7.853 -6.878 0.497 1.00 0.54 C ATOM 502 CG TYR A 32 -7.422 -6.545 1.908 1.00 0.54 C ATOM 503 CD1 TYR A 32 -8.089 -7.109 3.002 1.00 0.66 C ATOM 504 CD2 TYR A 32 -6.350 -5.668 2.117 1.00 0.58 C ATOM 505 CE1 TYR A 32 -7.683 -6.796 4.304 1.00 0.79 C ATOM 506 CE2 TYR A 32 -5.945 -5.356 3.418 1.00 0.67 C ATOM 507 CZ TYR A 32 -6.637 -5.939 4.525 1.00 0.77 C ATOM 508 OH TYR A 32 -6.210 -5.611 5.796 1.00 0.94 O ATOM 0 H TYR A 32 -8.463 -4.208 1.058 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.460 -6.296 -0.869 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -8.100 -7.937 0.423 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -7.033 -6.692 -0.197 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -8.916 -7.785 2.841 1.00 0.66 H new ATOM 0 HD2 TYR A 32 -5.836 -5.233 1.273 1.00 0.58 H new ATOM 0 HE1 TYR A 32 -8.200 -7.235 5.144 1.00 0.79 H new ATOM 0 HE2 TYR A 32 -5.118 -4.682 3.585 1.00 0.67 H new ATOM 0 HH TYR A 32 -6.762 -6.078 6.457 1.00 0.94 H new ATOM 518 N ALA A 33 -10.641 -7.465 1.230 1.00 0.40 N ATOM 519 CA ALA A 33 -11.735 -7.774 2.192 1.00 0.44 C ATOM 520 C ALA A 33 -11.365 -9.008 3.025 1.00 0.53 C ATOM 521 O ALA A 33 -10.510 -9.778 2.634 1.00 0.56 O ATOM 522 CB ALA A 33 -12.958 -8.064 1.321 1.00 0.49 C ATOM 0 H ALA A 33 -10.295 -8.263 0.698 1.00 0.40 H new ATOM 0 HA ALA A 33 -11.918 -6.957 2.890 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.810 -8.302 1.958 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -13.190 -7.187 0.716 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.747 -8.910 0.667 1.00 0.49 H new ATOM 528 N PRO A 34 -12.022 -9.164 4.148 1.00 0.63 N ATOM 529 CA PRO A 34 -11.748 -10.327 5.029 1.00 0.78 C ATOM 530 C PRO A 34 -12.221 -11.623 4.362 1.00 0.82 C ATOM 531 O PRO A 34 -11.807 -12.705 4.725 1.00 0.96 O ATOM 532 CB PRO A 34 -12.562 -10.027 6.285 1.00 0.90 C ATOM 533 CG PRO A 34 -13.651 -9.114 5.822 1.00 0.81 C ATOM 534 CD PRO A 34 -13.075 -8.297 4.698 1.00 0.66 C ATOM 0 HA PRO A 34 -10.688 -10.466 5.242 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -12.969 -10.940 6.721 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -11.948 -9.554 7.051 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -14.517 -9.683 5.484 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -13.990 -8.471 6.635 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -13.829 -8.057 3.949 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -12.669 -7.351 5.056 1.00 0.66 H new ATOM 542 N TRP A 35 -13.082 -11.520 3.386 1.00 0.74 N ATOM 543 CA TRP A 35 -13.573 -12.747 2.697 1.00 0.83 C ATOM 544 C TRP A 35 -12.780 -12.995 1.407 1.00 0.78 C ATOM 545 O TRP A 35 -12.936 -14.015 0.765 1.00 0.92 O ATOM 546 CB TRP A 35 -15.045 -12.471 2.383 1.00 0.91 C ATOM 547 CG TRP A 35 -15.157 -11.299 1.462 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.396 -10.026 1.851 1.00 0.84 C ATOM 549 CD2 TRP A 35 -15.045 -11.270 0.009 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.436 -9.216 0.729 1.00 0.85 N ATOM 551 CE2 TRP A 35 -15.225 -9.936 -0.429 1.00 1.19 C ATOM 552 CE3 TRP A 35 -14.804 -12.260 -0.961 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -15.170 -9.598 -1.782 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -14.749 -11.922 -2.323 1.00 2.36 C ATOM 555 CH2 TRP A 35 -14.932 -10.593 -2.732 1.00 2.26 C ATOM 0 H TRP A 35 -13.466 -10.642 3.037 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.451 -13.637 3.314 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.499 -13.350 1.925 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.592 -12.274 3.305 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.533 -9.695 2.870 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.601 -8.210 0.755 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -14.660 -13.286 -0.656 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -15.311 -8.573 -2.092 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -14.565 -12.690 -3.060 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -14.889 -10.340 -3.781 1.00 2.26 H new ATOM 566 N CYS A 36 -11.927 -12.079 1.018 1.00 0.65 N ATOM 567 CA CYS A 36 -11.130 -12.283 -0.229 1.00 0.67 C ATOM 568 C CYS A 36 -10.469 -13.667 -0.216 1.00 0.84 C ATOM 569 O CYS A 36 -10.394 -14.318 0.806 1.00 1.63 O ATOM 570 CB CYS A 36 -10.074 -11.180 -0.200 1.00 0.58 C ATOM 571 SG CYS A 36 -9.163 -11.171 -1.762 1.00 1.07 S ATOM 0 H CYS A 36 -11.749 -11.203 1.509 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.744 -12.238 -1.128 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.549 -10.212 -0.039 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.388 -11.341 0.632 1.00 0.58 H new ATOM 576 N GLY A 37 -9.997 -14.124 -1.344 1.00 0.96 N ATOM 577 CA GLY A 37 -9.352 -15.468 -1.385 1.00 1.08 C ATOM 578 C GLY A 37 -7.871 -15.329 -1.748 1.00 1.00 C ATOM 579 O GLY A 37 -7.043 -16.104 -1.317 1.00 1.83 O ATOM 0 H GLY A 37 -10.030 -13.628 -2.235 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.453 -15.958 -0.417 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -9.856 -16.100 -2.116 1.00 1.08 H new ATOM 583 N HIS A 38 -7.530 -14.351 -2.544 1.00 0.89 N ATOM 584 CA HIS A 38 -6.100 -14.176 -2.935 1.00 0.97 C ATOM 585 C HIS A 38 -5.484 -12.968 -2.221 1.00 0.88 C ATOM 586 O HIS A 38 -4.421 -12.502 -2.580 1.00 1.13 O ATOM 587 CB HIS A 38 -6.133 -13.941 -4.443 1.00 1.32 C ATOM 588 CG HIS A 38 -6.535 -15.211 -5.141 1.00 1.72 C ATOM 589 ND1 HIS A 38 -7.792 -15.773 -4.985 1.00 2.39 N ATOM 590 CD2 HIS A 38 -5.857 -16.039 -6.001 1.00 2.35 C ATOM 591 CE1 HIS A 38 -7.832 -16.889 -5.735 1.00 2.85 C ATOM 592 NE2 HIS A 38 -6.679 -17.098 -6.375 1.00 2.87 N ATOM 0 H HIS A 38 -8.176 -13.668 -2.939 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.495 -15.041 -2.663 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -6.837 -13.144 -4.682 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -5.153 -13.616 -4.792 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -4.841 -15.891 -6.336 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -8.692 -17.537 -5.810 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -6.450 -17.868 -7.003 1.00 2.87 H new ATOM 600 N CYS A 39 -6.137 -12.456 -1.214 1.00 0.79 N ATOM 601 CA CYS A 39 -5.578 -11.281 -0.487 1.00 0.88 C ATOM 602 C CYS A 39 -4.737 -11.740 0.710 1.00 0.82 C ATOM 603 O CYS A 39 -3.980 -10.977 1.275 1.00 1.00 O ATOM 604 CB CYS A 39 -6.800 -10.493 -0.015 1.00 1.08 C ATOM 605 SG CYS A 39 -7.684 -9.839 -1.452 1.00 1.00 S ATOM 0 H CYS A 39 -7.031 -12.799 -0.864 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.922 -10.681 -1.118 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.458 -11.136 0.569 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.490 -9.677 0.638 1.00 1.08 H new ATOM 610 N LYS A 40 -4.861 -12.981 1.102 1.00 0.78 N ATOM 611 CA LYS A 40 -4.063 -13.477 2.261 1.00 0.94 C ATOM 612 C LYS A 40 -2.811 -14.228 1.779 1.00 0.84 C ATOM 613 O LYS A 40 -1.974 -14.617 2.569 1.00 0.94 O ATOM 614 CB LYS A 40 -5.004 -14.422 3.017 1.00 1.21 C ATOM 615 CG LYS A 40 -5.319 -15.648 2.154 1.00 1.56 C ATOM 616 CD LYS A 40 -6.796 -16.015 2.308 1.00 2.11 C ATOM 617 CE LYS A 40 -7.666 -14.868 1.788 1.00 2.72 C ATOM 618 NZ LYS A 40 -8.707 -14.671 2.835 1.00 3.29 N ATOM 0 H LYS A 40 -5.478 -13.670 0.671 1.00 0.78 H new ATOM 0 HA LYS A 40 -3.710 -12.661 2.892 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -4.543 -14.735 3.954 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -5.926 -13.901 3.274 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -5.093 -15.438 1.109 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -4.692 -16.488 2.453 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -7.014 -16.929 1.756 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -7.025 -16.213 3.355 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -7.078 -13.962 1.640 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -8.115 -15.117 0.827 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -9.564 -14.272 2.402 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -8.935 -15.586 3.274 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -8.350 -14.018 3.561 1.00 3.29 H new ATOM 632 N ALA A 41 -2.674 -14.436 0.495 1.00 0.77 N ATOM 633 CA ALA A 41 -1.475 -15.161 -0.015 1.00 0.86 C ATOM 634 C ALA A 41 -0.193 -14.420 0.379 1.00 0.75 C ATOM 635 O ALA A 41 0.888 -14.975 0.346 1.00 0.90 O ATOM 636 CB ALA A 41 -1.638 -15.178 -1.535 1.00 0.93 C ATOM 0 H ALA A 41 -3.338 -14.136 -0.219 1.00 0.77 H new ATOM 0 HA ALA A 41 -1.397 -16.166 0.399 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.792 -15.696 -1.986 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.561 -15.695 -1.796 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -1.677 -14.155 -1.908 1.00 0.93 H new ATOM 642 N LEU A 42 -0.299 -13.173 0.752 1.00 0.65 N ATOM 643 CA LEU A 42 0.922 -12.411 1.144 1.00 0.67 C ATOM 644 C LEU A 42 0.615 -11.496 2.339 1.00 0.63 C ATOM 645 O LEU A 42 1.092 -10.382 2.421 1.00 0.70 O ATOM 646 CB LEU A 42 1.311 -11.606 -0.107 1.00 0.82 C ATOM 647 CG LEU A 42 0.296 -10.489 -0.377 1.00 0.86 C ATOM 648 CD1 LEU A 42 0.906 -9.487 -1.359 1.00 1.24 C ATOM 649 CD2 LEU A 42 -0.976 -11.084 -0.985 1.00 1.37 C ATOM 0 H LEU A 42 -1.174 -12.651 0.802 1.00 0.65 H new ATOM 0 HA LEU A 42 1.738 -13.060 1.462 1.00 0.67 H new ATOM 0 HB2 LEU A 42 2.304 -11.176 0.027 1.00 0.82 H new ATOM 0 HB3 LEU A 42 1.365 -12.270 -0.970 1.00 0.82 H new ATOM 0 HG LEU A 42 0.047 -9.988 0.558 1.00 0.86 H new ATOM 0 HD11 LEU A 42 0.190 -8.689 -1.556 1.00 1.24 H new ATOM 0 HD12 LEU A 42 1.813 -9.062 -0.929 1.00 1.24 H new ATOM 0 HD13 LEU A 42 1.150 -9.995 -2.292 1.00 1.24 H new ATOM 0 HD21 LEU A 42 -1.695 -10.287 -1.176 1.00 1.37 H new ATOM 0 HD22 LEU A 42 -0.732 -11.584 -1.922 1.00 1.37 H new ATOM 0 HD23 LEU A 42 -1.408 -11.805 -0.291 1.00 1.37 H new ATOM 661 N ALA A 43 -0.176 -11.969 3.266 1.00 0.71 N ATOM 662 CA ALA A 43 -0.519 -11.142 4.461 1.00 0.73 C ATOM 663 C ALA A 43 0.741 -10.813 5.276 1.00 0.67 C ATOM 664 O ALA A 43 0.968 -9.668 5.617 1.00 0.65 O ATOM 665 CB ALA A 43 -1.474 -12.011 5.283 1.00 0.88 C ATOM 0 H ALA A 43 -0.601 -12.896 3.247 1.00 0.71 H new ATOM 0 HA ALA A 43 -0.967 -10.189 4.180 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -1.774 -11.472 6.182 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.357 -12.244 4.688 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -0.972 -12.937 5.565 1.00 0.88 H new ATOM 671 N PRO A 44 1.531 -11.823 5.558 1.00 0.69 N ATOM 672 CA PRO A 44 2.772 -11.614 6.329 1.00 0.70 C ATOM 673 C PRO A 44 3.891 -11.134 5.400 1.00 0.59 C ATOM 674 O PRO A 44 4.949 -10.734 5.841 1.00 0.65 O ATOM 675 CB PRO A 44 3.084 -12.996 6.887 1.00 0.83 C ATOM 676 CG PRO A 44 2.427 -13.967 5.951 1.00 0.84 C ATOM 677 CD PRO A 44 1.355 -13.230 5.183 1.00 0.76 C ATOM 0 HA PRO A 44 2.675 -10.860 7.110 1.00 0.70 H new ATOM 0 HB2 PRO A 44 4.160 -13.165 6.936 1.00 0.83 H new ATOM 0 HB3 PRO A 44 2.698 -13.106 7.900 1.00 0.83 H new ATOM 0 HG2 PRO A 44 3.161 -14.391 5.266 1.00 0.84 H new ATOM 0 HG3 PRO A 44 1.993 -14.797 6.508 1.00 0.84 H new ATOM 0 HD2 PRO A 44 1.470 -13.371 4.108 1.00 0.76 H new ATOM 0 HD3 PRO A 44 0.360 -13.589 5.447 1.00 0.76 H new ATOM 685 N GLU A 45 3.658 -11.158 4.114 1.00 0.53 N ATOM 686 CA GLU A 45 4.698 -10.691 3.161 1.00 0.46 C ATOM 687 C GLU A 45 4.533 -9.188 2.956 1.00 0.41 C ATOM 688 O GLU A 45 5.488 -8.441 2.886 1.00 0.47 O ATOM 689 CB GLU A 45 4.402 -11.452 1.872 1.00 0.48 C ATOM 690 CG GLU A 45 4.639 -12.947 2.094 1.00 0.61 C ATOM 691 CD GLU A 45 3.296 -13.678 2.143 1.00 1.12 C ATOM 692 OE1 GLU A 45 2.391 -13.172 2.784 1.00 1.83 O ATOM 693 OE2 GLU A 45 3.196 -14.733 1.537 1.00 1.90 O ATOM 0 H GLU A 45 2.791 -11.482 3.686 1.00 0.53 H new ATOM 0 HA GLU A 45 5.718 -10.866 3.505 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.371 -11.279 1.564 1.00 0.48 H new ATOM 0 HB3 GLU A 45 5.041 -11.088 1.068 1.00 0.48 H new ATOM 0 HG2 GLU A 45 5.255 -13.351 1.291 1.00 0.61 H new ATOM 0 HG3 GLU A 45 5.184 -13.105 3.024 1.00 0.61 H new ATOM 700 N TYR A 46 3.309 -8.748 2.880 1.00 0.43 N ATOM 701 CA TYR A 46 3.032 -7.297 2.701 1.00 0.48 C ATOM 702 C TYR A 46 3.504 -6.534 3.953 1.00 0.52 C ATOM 703 O TYR A 46 3.792 -5.355 3.901 1.00 0.69 O ATOM 704 CB TYR A 46 1.500 -7.249 2.498 1.00 0.64 C ATOM 705 CG TYR A 46 0.860 -6.044 3.160 1.00 0.72 C ATOM 706 CD1 TYR A 46 1.003 -4.764 2.608 1.00 1.02 C ATOM 707 CD2 TYR A 46 0.113 -6.222 4.330 1.00 1.03 C ATOM 708 CE1 TYR A 46 0.398 -3.665 3.226 1.00 1.38 C ATOM 709 CE2 TYR A 46 -0.494 -5.123 4.946 1.00 1.39 C ATOM 710 CZ TYR A 46 -0.351 -3.843 4.395 1.00 1.50 C ATOM 711 OH TYR A 46 -0.952 -2.757 4.998 1.00 1.95 O ATOM 0 H TYR A 46 2.479 -9.339 2.935 1.00 0.43 H new ATOM 0 HA TYR A 46 3.552 -6.829 1.865 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.279 -7.232 1.431 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.055 -8.159 2.901 1.00 0.64 H new ATOM 0 HD1 TYR A 46 1.580 -4.626 1.706 1.00 1.02 H new ATOM 0 HD2 TYR A 46 0.005 -7.208 4.757 1.00 1.03 H new ATOM 0 HE1 TYR A 46 0.509 -2.678 2.801 1.00 1.38 H new ATOM 0 HE2 TYR A 46 -1.073 -5.261 5.847 1.00 1.39 H new ATOM 0 HH TYR A 46 -1.212 -2.993 5.913 1.00 1.95 H new ATOM 721 N ALA A 47 3.586 -7.205 5.070 1.00 0.53 N ATOM 722 CA ALA A 47 4.041 -6.525 6.318 1.00 0.62 C ATOM 723 C ALA A 47 5.561 -6.650 6.469 1.00 0.58 C ATOM 724 O ALA A 47 6.179 -5.931 7.228 1.00 0.68 O ATOM 725 CB ALA A 47 3.326 -7.258 7.453 1.00 0.73 C ATOM 0 H ALA A 47 3.358 -8.194 5.173 1.00 0.53 H new ATOM 0 HA ALA A 47 3.811 -5.459 6.313 1.00 0.62 H new ATOM 0 HB1 ALA A 47 3.610 -6.815 8.408 1.00 0.73 H new ATOM 0 HB2 ALA A 47 2.248 -7.172 7.319 1.00 0.73 H new ATOM 0 HB3 ALA A 47 3.610 -8.310 7.443 1.00 0.73 H new ATOM 731 N LYS A 48 6.170 -7.558 5.751 1.00 0.51 N ATOM 732 CA LYS A 48 7.647 -7.722 5.857 1.00 0.55 C ATOM 733 C LYS A 48 8.353 -6.603 5.089 1.00 0.53 C ATOM 734 O LYS A 48 9.387 -6.113 5.498 1.00 0.65 O ATOM 735 CB LYS A 48 7.941 -9.079 5.217 1.00 0.60 C ATOM 736 CG LYS A 48 8.208 -10.114 6.311 1.00 1.03 C ATOM 737 CD LYS A 48 7.879 -11.511 5.782 1.00 1.41 C ATOM 738 CE LYS A 48 7.643 -12.462 6.958 1.00 1.92 C ATOM 739 NZ LYS A 48 8.992 -12.688 7.547 1.00 2.47 N ATOM 0 H LYS A 48 5.708 -8.191 5.098 1.00 0.51 H new ATOM 0 HA LYS A 48 7.998 -7.674 6.888 1.00 0.55 H new ATOM 0 HB2 LYS A 48 7.097 -9.393 4.603 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.805 -9.002 4.557 1.00 0.60 H new ATOM 0 HG2 LYS A 48 9.251 -10.068 6.623 1.00 1.03 H new ATOM 0 HG3 LYS A 48 7.602 -9.894 7.190 1.00 1.03 H new ATOM 0 HD2 LYS A 48 6.992 -11.472 5.149 1.00 1.41 H new ATOM 0 HD3 LYS A 48 8.697 -11.878 5.162 1.00 1.41 H new ATOM 0 HE2 LYS A 48 6.962 -12.025 7.688 1.00 1.92 H new ATOM 0 HE3 LYS A 48 7.196 -13.399 6.625 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 9.047 -13.654 7.927 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 9.717 -12.563 6.812 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 9.155 -12.005 8.314 1.00 2.47 H new ATOM 753 N ALA A 49 7.802 -6.194 3.980 1.00 0.47 N ATOM 754 CA ALA A 49 8.442 -5.106 3.189 1.00 0.50 C ATOM 755 C ALA A 49 8.432 -3.804 3.988 1.00 0.53 C ATOM 756 O ALA A 49 9.385 -3.051 3.983 1.00 0.65 O ATOM 757 CB ALA A 49 7.586 -4.974 1.929 1.00 0.55 C ATOM 0 H ALA A 49 6.937 -6.566 3.588 1.00 0.47 H new ATOM 0 HA ALA A 49 9.483 -5.324 2.949 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.994 -4.189 1.292 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.589 -5.919 1.387 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.564 -4.719 2.209 1.00 0.55 H new ATOM 763 N ALA A 50 7.362 -3.538 4.683 1.00 0.54 N ATOM 764 CA ALA A 50 7.293 -2.290 5.494 1.00 0.65 C ATOM 765 C ALA A 50 8.187 -2.423 6.729 1.00 0.65 C ATOM 766 O ALA A 50 8.618 -1.444 7.305 1.00 0.77 O ATOM 767 CB ALA A 50 5.825 -2.161 5.903 1.00 0.76 C ATOM 0 H ALA A 50 6.532 -4.130 4.725 1.00 0.54 H new ATOM 0 HA ALA A 50 7.636 -1.415 4.942 1.00 0.65 H new ATOM 0 HB1 ALA A 50 5.693 -1.262 6.505 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.203 -2.094 5.010 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.531 -3.034 6.485 1.00 0.76 H new ATOM 773 N GLY A 51 8.473 -3.630 7.136 1.00 0.59 N ATOM 774 CA GLY A 51 9.343 -3.829 8.328 1.00 0.69 C ATOM 775 C GLY A 51 10.806 -3.632 7.926 1.00 0.78 C ATOM 776 O GLY A 51 11.652 -3.350 8.751 1.00 0.90 O ATOM 0 H GLY A 51 8.141 -4.487 6.693 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.071 -3.123 9.113 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.198 -4.829 8.735 1.00 0.69 H new ATOM 780 N LYS A 52 11.113 -3.768 6.661 1.00 0.80 N ATOM 781 CA LYS A 52 12.525 -3.577 6.213 1.00 1.01 C ATOM 782 C LYS A 52 13.053 -2.230 6.714 1.00 1.12 C ATOM 783 O LYS A 52 14.241 -2.033 6.866 1.00 1.31 O ATOM 784 CB LYS A 52 12.463 -3.595 4.684 1.00 1.15 C ATOM 785 CG LYS A 52 12.418 -5.044 4.191 1.00 1.49 C ATOM 786 CD LYS A 52 13.419 -5.224 3.048 1.00 1.97 C ATOM 787 CE LYS A 52 14.204 -6.521 3.258 1.00 2.64 C ATOM 788 NZ LYS A 52 15.586 -6.210 2.798 1.00 3.08 N ATOM 0 H LYS A 52 10.450 -4.002 5.922 1.00 0.80 H new ATOM 0 HA LYS A 52 13.192 -4.347 6.600 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.581 -3.055 4.339 1.00 1.15 H new ATOM 0 HB3 LYS A 52 13.332 -3.085 4.268 1.00 1.15 H new ATOM 0 HG2 LYS A 52 12.656 -5.725 5.008 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.413 -5.293 3.851 1.00 1.49 H new ATOM 0 HD2 LYS A 52 12.895 -5.254 2.093 1.00 1.97 H new ATOM 0 HD3 LYS A 52 14.102 -4.375 3.011 1.00 1.97 H new ATOM 0 HE2 LYS A 52 14.195 -6.824 4.305 1.00 2.64 H new ATOM 0 HE3 LYS A 52 13.772 -7.342 2.685 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 16.187 -7.051 2.910 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 15.564 -5.931 1.796 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 15.974 -5.430 3.366 1.00 3.08 H new ATOM 802 N LEU A 53 12.170 -1.306 6.982 1.00 1.12 N ATOM 803 CA LEU A 53 12.608 0.031 7.485 1.00 1.33 C ATOM 804 C LEU A 53 12.663 -0.005 9.006 1.00 1.30 C ATOM 805 O LEU A 53 13.583 0.493 9.623 1.00 1.50 O ATOM 806 CB LEU A 53 11.538 1.041 7.026 1.00 1.55 C ATOM 807 CG LEU A 53 11.082 0.741 5.593 1.00 1.47 C ATOM 808 CD1 LEU A 53 10.134 1.844 5.115 1.00 2.07 C ATOM 809 CD2 LEU A 53 12.298 0.679 4.664 1.00 1.82 C ATOM 0 H LEU A 53 11.162 -1.418 6.875 1.00 1.12 H new ATOM 0 HA LEU A 53 13.593 0.304 7.107 1.00 1.33 H new ATOM 0 HB2 LEU A 53 10.682 1.002 7.700 1.00 1.55 H new ATOM 0 HB3 LEU A 53 11.940 2.053 7.080 1.00 1.55 H new ATOM 0 HG LEU A 53 10.565 -0.218 5.576 1.00 1.47 H new ATOM 0 HD11 LEU A 53 9.811 1.630 4.096 1.00 2.07 H new ATOM 0 HD12 LEU A 53 9.264 1.886 5.771 1.00 2.07 H new ATOM 0 HD13 LEU A 53 10.651 2.803 5.137 1.00 2.07 H new ATOM 0 HD21 LEU A 53 11.969 0.466 3.647 1.00 1.82 H new ATOM 0 HD22 LEU A 53 12.820 1.636 4.683 1.00 1.82 H new ATOM 0 HD23 LEU A 53 12.973 -0.109 5.000 1.00 1.82 H new ATOM 821 N LYS A 54 11.672 -0.592 9.614 1.00 1.20 N ATOM 822 CA LYS A 54 11.643 -0.669 11.103 1.00 1.35 C ATOM 823 C LYS A 54 11.887 0.720 11.697 1.00 1.40 C ATOM 824 O LYS A 54 12.763 0.917 12.516 1.00 1.67 O ATOM 825 CB LYS A 54 12.778 -1.624 11.471 1.00 1.46 C ATOM 826 CG LYS A 54 12.719 -1.935 12.966 1.00 1.91 C ATOM 827 CD LYS A 54 13.193 -3.370 13.210 1.00 2.50 C ATOM 828 CE LYS A 54 12.626 -3.875 14.539 1.00 2.87 C ATOM 829 NZ LYS A 54 13.511 -5.008 14.929 1.00 3.88 N ATOM 0 H LYS A 54 10.877 -1.024 9.143 1.00 1.20 H new ATOM 0 HA LYS A 54 10.684 -1.017 11.487 1.00 1.35 H new ATOM 0 HB2 LYS A 54 12.694 -2.545 10.894 1.00 1.46 H new ATOM 0 HB3 LYS A 54 13.740 -1.177 11.220 1.00 1.46 H new ATOM 0 HG2 LYS A 54 13.346 -1.235 13.519 1.00 1.91 H new ATOM 0 HG3 LYS A 54 11.701 -1.810 13.334 1.00 1.91 H new ATOM 0 HD2 LYS A 54 12.867 -4.016 12.394 1.00 2.50 H new ATOM 0 HD3 LYS A 54 14.282 -3.406 13.230 1.00 2.50 H new ATOM 0 HE2 LYS A 54 12.633 -3.090 15.295 1.00 2.87 H new ATOM 0 HE3 LYS A 54 11.592 -4.202 14.428 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 13.186 -5.408 15.832 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 13.479 -5.743 14.194 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 14.487 -4.666 15.034 1.00 3.88 H new ATOM 843 N ALA A 55 11.118 1.689 11.273 1.00 1.63 N ATOM 844 CA ALA A 55 11.298 3.079 11.790 1.00 2.20 C ATOM 845 C ALA A 55 12.710 3.579 11.473 1.00 2.03 C ATOM 846 O ALA A 55 13.217 4.480 12.109 1.00 2.38 O ATOM 847 CB ALA A 55 11.089 2.989 13.304 1.00 2.78 C ATOM 0 H ALA A 55 10.370 1.577 10.588 1.00 1.63 H new ATOM 0 HA ALA A 55 10.598 3.777 11.331 1.00 2.20 H new ATOM 0 HB1 ALA A 55 11.207 3.978 13.747 1.00 2.78 H new ATOM 0 HB2 ALA A 55 10.086 2.616 13.511 1.00 2.78 H new ATOM 0 HB3 ALA A 55 11.825 2.309 13.733 1.00 2.78 H new ATOM 853 N GLU A 56 13.350 3.002 10.490 1.00 1.67 N ATOM 854 CA GLU A 56 14.728 3.449 10.136 1.00 1.70 C ATOM 855 C GLU A 56 14.737 4.953 9.853 1.00 1.53 C ATOM 856 O GLU A 56 15.720 5.632 10.075 1.00 1.98 O ATOM 857 CB GLU A 56 15.086 2.667 8.872 1.00 1.99 C ATOM 858 CG GLU A 56 16.023 1.515 9.235 1.00 2.69 C ATOM 859 CD GLU A 56 17.443 1.848 8.776 1.00 3.21 C ATOM 860 OE1 GLU A 56 17.584 2.377 7.686 1.00 3.63 O ATOM 861 OE2 GLU A 56 18.368 1.569 9.523 1.00 3.64 O ATOM 0 H GLU A 56 12.979 2.243 9.919 1.00 1.67 H new ATOM 0 HA GLU A 56 15.440 3.270 10.942 1.00 1.70 H new ATOM 0 HB2 GLU A 56 14.182 2.280 8.402 1.00 1.99 H new ATOM 0 HB3 GLU A 56 15.565 3.325 8.147 1.00 1.99 H new ATOM 0 HG2 GLU A 56 16.008 1.345 10.312 1.00 2.69 H new ATOM 0 HG3 GLU A 56 15.683 0.593 8.762 1.00 2.69 H new ATOM 868 N GLY A 57 13.648 5.475 9.363 1.00 1.58 N ATOM 869 CA GLY A 57 13.588 6.932 9.061 1.00 2.25 C ATOM 870 C GLY A 57 13.552 7.146 7.543 1.00 1.97 C ATOM 871 O GLY A 57 13.773 8.238 7.058 1.00 2.50 O ATOM 0 H GLY A 57 12.795 4.954 9.158 1.00 1.58 H new ATOM 0 HA2 GLY A 57 12.703 7.372 9.521 1.00 2.25 H new ATOM 0 HA3 GLY A 57 14.454 7.437 9.488 1.00 2.25 H new ATOM 875 N SER A 58 13.273 6.117 6.786 1.00 1.30 N ATOM 876 CA SER A 58 13.224 6.275 5.304 1.00 1.23 C ATOM 877 C SER A 58 12.047 7.170 4.907 1.00 1.03 C ATOM 878 O SER A 58 11.204 7.498 5.718 1.00 1.27 O ATOM 879 CB SER A 58 13.028 4.858 4.764 1.00 1.53 C ATOM 880 OG SER A 58 11.675 4.468 4.938 1.00 2.13 O ATOM 0 H SER A 58 13.078 5.177 7.130 1.00 1.30 H new ATOM 0 HA SER A 58 14.125 6.742 4.906 1.00 1.23 H new ATOM 0 HB2 SER A 58 13.296 4.820 3.708 1.00 1.53 H new ATOM 0 HB3 SER A 58 13.687 4.164 5.285 1.00 1.53 H new ATOM 0 HG SER A 58 11.494 4.332 5.891 1.00 2.13 H new ATOM 886 N GLU A 59 11.982 7.569 3.666 1.00 0.85 N ATOM 887 CA GLU A 59 10.856 8.442 3.225 1.00 0.87 C ATOM 888 C GLU A 59 9.805 7.617 2.475 1.00 0.76 C ATOM 889 O GLU A 59 9.027 8.143 1.704 1.00 1.06 O ATOM 890 CB GLU A 59 11.494 9.475 2.294 1.00 1.10 C ATOM 891 CG GLU A 59 12.180 8.761 1.129 1.00 1.05 C ATOM 892 CD GLU A 59 12.372 9.742 -0.029 1.00 1.58 C ATOM 893 OE1 GLU A 59 13.213 10.617 0.094 1.00 2.13 O ATOM 894 OE2 GLU A 59 11.674 9.602 -1.020 1.00 2.22 O ATOM 0 H GLU A 59 12.657 7.329 2.940 1.00 0.85 H new ATOM 0 HA GLU A 59 10.347 8.912 4.066 1.00 0.87 H new ATOM 0 HB2 GLU A 59 10.733 10.159 1.917 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.219 10.076 2.843 1.00 1.10 H new ATOM 0 HG2 GLU A 59 13.144 8.365 1.448 1.00 1.05 H new ATOM 0 HG3 GLU A 59 11.579 7.912 0.804 1.00 1.05 H new ATOM 901 N ILE A 60 9.774 6.331 2.698 1.00 0.59 N ATOM 902 CA ILE A 60 8.767 5.478 1.997 1.00 0.57 C ATOM 903 C ILE A 60 7.856 4.798 3.020 1.00 0.52 C ATOM 904 O ILE A 60 8.131 4.794 4.202 1.00 0.63 O ATOM 905 CB ILE A 60 9.580 4.433 1.232 1.00 0.68 C ATOM 906 CG1 ILE A 60 10.634 5.129 0.368 1.00 1.46 C ATOM 907 CG2 ILE A 60 8.646 3.620 0.334 1.00 1.34 C ATOM 908 CD1 ILE A 60 12.006 4.986 1.029 1.00 1.60 C ATOM 0 H ILE A 60 10.399 5.834 3.332 1.00 0.59 H new ATOM 0 HA ILE A 60 8.130 6.060 1.331 1.00 0.57 H new ATOM 0 HB ILE A 60 10.075 3.771 1.943 1.00 0.68 H new ATOM 0 HG12 ILE A 60 10.651 4.690 -0.629 1.00 1.46 H new ATOM 0 HG13 ILE A 60 10.384 6.183 0.248 1.00 1.46 H new ATOM 0 HG21 ILE A 60 9.224 2.875 -0.212 1.00 1.34 H new ATOM 0 HG22 ILE A 60 7.896 3.120 0.947 1.00 1.34 H new ATOM 0 HG23 ILE A 60 8.151 4.285 -0.374 1.00 1.34 H new ATOM 0 HD11 ILE A 60 12.759 5.481 0.415 1.00 1.60 H new ATOM 0 HD12 ILE A 60 11.984 5.446 2.017 1.00 1.60 H new ATOM 0 HD13 ILE A 60 12.255 3.929 1.126 1.00 1.60 H new ATOM 920 N ARG A 61 6.773 4.222 2.574 1.00 0.45 N ATOM 921 CA ARG A 61 5.842 3.544 3.524 1.00 0.45 C ATOM 922 C ARG A 61 4.780 2.736 2.773 1.00 0.41 C ATOM 923 O ARG A 61 4.613 2.865 1.575 1.00 0.55 O ATOM 924 CB ARG A 61 5.185 4.681 4.302 1.00 0.51 C ATOM 925 CG ARG A 61 5.893 4.855 5.644 1.00 0.75 C ATOM 926 CD ARG A 61 4.860 4.838 6.773 1.00 0.97 C ATOM 927 NE ARG A 61 5.557 4.197 7.924 1.00 1.30 N ATOM 928 CZ ARG A 61 5.281 2.963 8.248 1.00 1.66 C ATOM 929 NH1 ARG A 61 5.837 1.978 7.597 1.00 2.19 N ATOM 930 NH2 ARG A 61 4.448 2.714 9.221 1.00 2.21 N ATOM 0 H ARG A 61 6.492 4.191 1.594 1.00 0.45 H new ATOM 0 HA ARG A 61 6.366 2.840 4.171 1.00 0.45 H new ATOM 0 HB2 ARG A 61 5.237 5.606 3.728 1.00 0.51 H new ATOM 0 HB3 ARG A 61 4.129 4.464 4.461 1.00 0.51 H new ATOM 0 HG2 ARG A 61 6.620 4.056 5.790 1.00 0.75 H new ATOM 0 HG3 ARG A 61 6.445 5.795 5.656 1.00 0.75 H new ATOM 0 HD2 ARG A 61 4.532 5.847 7.023 1.00 0.97 H new ATOM 0 HD3 ARG A 61 3.972 4.275 6.487 1.00 0.97 H new ATOM 0 HE ARG A 61 6.249 4.722 8.458 1.00 1.30 H new ATOM 0 HH11 ARG A 61 6.487 2.173 6.835 1.00 2.19 H new ATOM 0 HH12 ARG A 61 5.622 1.014 7.850 1.00 2.19 H new ATOM 0 HH21 ARG A 61 4.012 3.484 9.729 1.00 2.21 H new ATOM 0 HH22 ARG A 61 4.233 1.750 9.474 1.00 2.21 H new ATOM 944 N LEU A 62 4.053 1.911 3.478 1.00 0.35 N ATOM 945 CA LEU A 62 2.988 1.095 2.828 1.00 0.36 C ATOM 946 C LEU A 62 1.677 1.256 3.602 1.00 0.32 C ATOM 947 O LEU A 62 1.657 1.809 4.684 1.00 0.38 O ATOM 948 CB LEU A 62 3.481 -0.349 2.911 1.00 0.48 C ATOM 949 CG LEU A 62 4.708 -0.526 2.016 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.950 -0.008 2.745 1.00 1.59 C ATOM 951 CD2 LEU A 62 4.890 -2.010 1.690 1.00 1.22 C ATOM 0 H LEU A 62 4.152 1.767 4.483 1.00 0.35 H new ATOM 0 HA LEU A 62 2.801 1.398 1.798 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.731 -0.599 3.942 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.690 -1.032 2.600 1.00 0.48 H new ATOM 0 HG LEU A 62 4.569 0.035 1.092 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.825 -0.134 2.107 1.00 1.59 H new ATOM 0 HD12 LEU A 62 5.820 1.049 2.979 1.00 1.59 H new ATOM 0 HD13 LEU A 62 6.090 -0.569 3.669 1.00 1.59 H new ATOM 0 HD21 LEU A 62 5.764 -2.138 1.052 1.00 1.22 H new ATOM 0 HD22 LEU A 62 5.030 -2.571 2.614 1.00 1.22 H new ATOM 0 HD23 LEU A 62 4.005 -2.380 1.172 1.00 1.22 H new ATOM 963 N ALA A 63 0.581 0.784 3.067 1.00 0.30 N ATOM 964 CA ALA A 63 -0.707 0.932 3.807 1.00 0.32 C ATOM 965 C ALA A 63 -1.756 -0.068 3.305 1.00 0.31 C ATOM 966 O ALA A 63 -1.502 -0.864 2.420 1.00 0.37 O ATOM 967 CB ALA A 63 -1.149 2.365 3.534 1.00 0.37 C ATOM 0 H ALA A 63 0.521 0.310 2.166 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.589 0.731 4.872 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.093 2.558 4.044 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.390 3.056 3.901 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.281 2.507 2.461 1.00 0.37 H new ATOM 973 N LYS A 64 -2.938 -0.039 3.867 1.00 0.30 N ATOM 974 CA LYS A 64 -3.988 -1.004 3.418 1.00 0.32 C ATOM 975 C LYS A 64 -5.388 -0.439 3.605 1.00 0.32 C ATOM 976 O LYS A 64 -5.594 0.563 4.258 1.00 0.40 O ATOM 977 CB LYS A 64 -3.816 -2.254 4.284 1.00 0.38 C ATOM 978 CG LYS A 64 -3.703 -1.868 5.761 1.00 1.39 C ATOM 979 CD LYS A 64 -4.317 -2.970 6.627 1.00 1.60 C ATOM 980 CE LYS A 64 -3.578 -4.287 6.380 1.00 2.04 C ATOM 981 NZ LYS A 64 -4.234 -5.269 7.287 1.00 2.26 N ATOM 0 H LYS A 64 -3.220 0.603 4.608 1.00 0.30 H new ATOM 0 HA LYS A 64 -3.875 -1.219 2.355 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -4.664 -2.923 4.140 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -2.924 -2.799 3.975 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -2.657 -1.720 6.030 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -4.215 -0.923 5.941 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -4.253 -2.697 7.680 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -5.375 -3.085 6.391 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -3.659 -4.596 5.338 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -2.515 -4.192 6.603 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -3.663 -6.137 7.330 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -4.316 -4.860 8.240 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -5.182 -5.496 6.925 1.00 2.26 H new ATOM 995 N VAL A 65 -6.354 -1.096 3.030 1.00 0.30 N ATOM 996 CA VAL A 65 -7.764 -0.626 3.161 1.00 0.32 C ATOM 997 C VAL A 65 -8.711 -1.818 3.283 1.00 0.31 C ATOM 998 O VAL A 65 -8.431 -2.901 2.807 1.00 0.36 O ATOM 999 CB VAL A 65 -8.067 0.142 1.874 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.517 0.637 1.912 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -7.122 1.336 1.749 1.00 0.70 C ATOM 0 H VAL A 65 -6.230 -1.941 2.473 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.896 -0.007 4.048 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.926 -0.516 1.017 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.738 1.185 0.996 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -10.191 -0.216 1.996 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.655 1.294 2.771 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.342 1.880 0.830 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.258 1.998 2.604 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -6.091 0.983 1.723 1.00 0.70 H new ATOM 1011 N ASP A 66 -9.838 -1.623 3.905 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.813 -2.738 4.042 1.00 0.39 C ATOM 1013 C ASP A 66 -11.967 -2.533 3.057 1.00 0.40 C ATOM 1014 O ASP A 66 -12.917 -1.833 3.340 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.315 -2.655 5.484 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.413 -3.501 6.387 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -9.383 -2.995 6.801 1.00 1.38 O ATOM 1018 OD2 ASP A 66 -10.768 -4.639 6.648 1.00 1.30 O ATOM 0 H ASP A 66 -10.126 -0.739 4.325 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.371 -3.711 3.827 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.316 -1.618 5.821 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.344 -3.010 5.543 1.00 0.47 H new ATOM 1023 N ALA A 67 -11.889 -3.133 1.897 1.00 0.40 N ATOM 1024 CA ALA A 67 -12.981 -2.968 0.888 1.00 0.46 C ATOM 1025 C ALA A 67 -14.350 -3.193 1.538 1.00 0.51 C ATOM 1026 O ALA A 67 -15.354 -2.680 1.087 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.711 -4.034 -0.172 1.00 0.51 C ATOM 0 H ALA A 67 -11.116 -3.731 1.604 1.00 0.40 H new ATOM 0 HA ALA A 67 -12.995 -1.964 0.463 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.473 -3.976 -0.949 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.729 -3.867 -0.614 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.738 -5.021 0.290 1.00 0.51 H new ATOM 1033 N THR A 68 -14.394 -3.949 2.598 1.00 0.53 N ATOM 1034 CA THR A 68 -15.694 -4.197 3.283 1.00 0.62 C ATOM 1035 C THR A 68 -15.892 -3.175 4.405 1.00 0.64 C ATOM 1036 O THR A 68 -16.639 -3.399 5.338 1.00 0.86 O ATOM 1037 CB THR A 68 -15.582 -5.611 3.854 1.00 0.66 C ATOM 1038 OG1 THR A 68 -16.772 -5.929 4.561 1.00 1.29 O ATOM 1039 CG2 THR A 68 -14.386 -5.684 4.805 1.00 1.35 C ATOM 0 H THR A 68 -13.586 -4.407 3.021 1.00 0.53 H new ATOM 0 HA THR A 68 -16.545 -4.103 2.609 1.00 0.62 H new ATOM 0 HB THR A 68 -15.441 -6.323 3.041 1.00 0.66 H new ATOM 0 HG1 THR A 68 -17.102 -5.130 5.022 1.00 1.29 H new ATOM 0 HG21 THR A 68 -14.306 -6.692 5.212 1.00 1.35 H new ATOM 0 HG22 THR A 68 -13.474 -5.439 4.262 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.525 -4.974 5.620 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.229 -2.052 4.322 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.376 -1.012 5.375 1.00 0.61 C ATOM 1049 C GLU A 69 -15.360 0.367 4.720 1.00 0.57 C ATOM 1050 O GLU A 69 -16.179 1.217 5.010 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.157 -1.193 6.281 1.00 0.63 C ATOM 1052 CG GLU A 69 -14.442 -0.579 7.653 1.00 0.83 C ATOM 1053 CD GLU A 69 -13.317 -0.956 8.620 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -12.856 -2.083 8.550 1.00 2.10 O ATOM 1055 OE2 GLU A 69 -12.937 -0.110 9.412 1.00 2.22 O ATOM 0 H GLU A 69 -14.589 -1.812 3.565 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.307 -1.100 5.935 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -13.924 -2.253 6.387 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.284 -0.718 5.833 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -14.518 0.505 7.570 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -15.399 -0.937 8.033 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.435 0.586 3.827 1.00 0.52 N ATOM 1063 CA GLU A 70 -14.364 1.899 3.135 1.00 0.57 C ATOM 1064 C GLU A 70 -15.280 1.886 1.908 1.00 0.72 C ATOM 1065 O GLU A 70 -16.379 2.401 1.933 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.900 2.032 2.715 1.00 0.71 C ATOM 1067 CG GLU A 70 -12.132 2.849 3.758 1.00 1.05 C ATOM 1068 CD GLU A 70 -10.973 2.020 4.315 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -11.198 0.867 4.643 1.00 1.89 O ATOM 1070 OE2 GLU A 70 -9.878 2.552 4.402 1.00 1.97 O ATOM 0 H GLU A 70 -13.725 -0.091 3.548 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.685 2.729 3.764 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -12.451 1.044 2.611 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -12.834 2.516 1.741 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -11.752 3.766 3.307 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -12.801 3.145 4.566 1.00 1.05 H new ATOM 1077 N SER A 71 -14.830 1.289 0.835 1.00 0.55 N ATOM 1078 CA SER A 71 -15.661 1.219 -0.410 1.00 0.66 C ATOM 1079 C SER A 71 -16.009 2.618 -0.922 1.00 0.70 C ATOM 1080 O SER A 71 -16.874 2.779 -1.762 1.00 0.94 O ATOM 1081 CB SER A 71 -16.933 0.477 -0.007 1.00 0.79 C ATOM 1082 OG SER A 71 -16.595 -0.619 0.831 1.00 1.48 O ATOM 0 H SER A 71 -13.916 0.843 0.765 1.00 0.55 H new ATOM 0 HA SER A 71 -15.125 0.716 -1.215 1.00 0.66 H new ATOM 0 HB2 SER A 71 -17.611 1.152 0.515 1.00 0.79 H new ATOM 0 HB3 SER A 71 -17.457 0.122 -0.895 1.00 0.79 H new ATOM 0 HG SER A 71 -15.996 -1.226 0.349 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.349 3.628 -0.439 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.650 5.005 -0.916 1.00 0.71 C ATOM 1090 C ASP A 72 -14.537 5.479 -1.852 1.00 0.68 C ATOM 1091 O ASP A 72 -14.742 6.316 -2.708 1.00 0.77 O ATOM 1092 CB ASP A 72 -15.701 5.865 0.347 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.156 6.035 0.787 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -17.808 5.028 1.012 1.00 1.57 O ATOM 1095 OD2 ASP A 72 -17.595 7.169 0.893 1.00 1.83 O ATOM 0 H ASP A 72 -14.614 3.562 0.265 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.585 5.060 -1.474 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -15.121 5.397 1.143 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.251 6.839 0.155 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.359 4.941 -1.695 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.227 5.349 -2.576 1.00 0.68 C ATOM 1102 C LEU A 73 -11.809 4.176 -3.464 1.00 0.60 C ATOM 1103 O LEU A 73 -11.256 4.358 -4.530 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.081 5.729 -1.628 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.587 6.681 -0.539 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -11.865 5.885 0.737 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -10.525 7.746 -0.254 1.00 0.97 C ATOM 0 H LEU A 73 -13.131 4.236 -0.994 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.499 6.177 -3.231 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -10.665 4.831 -1.171 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -10.277 6.203 -2.190 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.503 7.166 -0.876 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -12.225 6.558 1.515 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -12.621 5.126 0.535 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -10.947 5.402 1.072 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -10.887 8.422 0.521 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.608 7.264 0.084 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -10.323 8.311 -1.164 1.00 0.97 H new ATOM 1119 N ALA A 74 -12.071 2.969 -3.035 1.00 0.57 N ATOM 1120 CA ALA A 74 -11.686 1.791 -3.861 1.00 0.56 C ATOM 1121 C ALA A 74 -12.584 1.705 -5.095 1.00 0.59 C ATOM 1122 O ALA A 74 -12.120 1.762 -6.216 1.00 0.65 O ATOM 1123 CB ALA A 74 -11.896 0.579 -2.950 1.00 0.60 C ATOM 0 H ALA A 74 -12.533 2.750 -2.152 1.00 0.57 H new ATOM 0 HA ALA A 74 -10.658 1.851 -4.219 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -11.633 -0.331 -3.489 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.264 0.674 -2.067 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -12.941 0.530 -2.644 1.00 0.60 H new ATOM 1129 N GLN A 75 -13.867 1.584 -4.901 1.00 0.64 N ATOM 1130 CA GLN A 75 -14.785 1.512 -6.070 1.00 0.76 C ATOM 1131 C GLN A 75 -14.682 2.806 -6.880 1.00 0.78 C ATOM 1132 O GLN A 75 -14.984 2.841 -8.056 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.185 1.359 -5.475 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.174 0.995 -6.584 1.00 1.42 C ATOM 1135 CD GLN A 75 -17.120 -0.512 -6.843 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -16.204 -0.999 -7.476 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -18.068 -1.277 -6.374 1.00 2.40 N ATOM 0 H GLN A 75 -14.318 1.532 -3.988 1.00 0.64 H new ATOM 0 HA GLN A 75 -14.544 0.687 -6.741 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.183 0.586 -4.707 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -16.490 2.287 -4.992 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -18.183 1.289 -6.296 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -16.931 1.540 -7.496 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -18.837 -0.869 -5.843 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -18.040 -2.283 -6.539 1.00 2.40 H new ATOM 1146 N GLN A 76 -14.247 3.868 -6.256 1.00 0.76 N ATOM 1147 CA GLN A 76 -14.114 5.158 -6.987 1.00 0.84 C ATOM 1148 C GLN A 76 -12.923 5.093 -7.940 1.00 0.83 C ATOM 1149 O GLN A 76 -12.994 5.531 -9.072 1.00 0.94 O ATOM 1150 CB GLN A 76 -13.866 6.202 -5.900 1.00 0.89 C ATOM 1151 CG GLN A 76 -14.999 7.228 -5.909 1.00 1.14 C ATOM 1152 CD GLN A 76 -16.318 6.535 -5.565 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -16.324 5.417 -5.087 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -17.444 7.153 -5.791 1.00 1.97 N ATOM 0 H GLN A 76 -13.979 3.896 -5.272 1.00 0.76 H new ATOM 0 HA GLN A 76 -14.995 5.391 -7.585 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -13.806 5.719 -4.925 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -12.910 6.698 -6.069 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -14.793 8.019 -5.188 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -15.069 7.700 -6.889 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -17.439 8.091 -6.192 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -18.329 6.698 -5.567 1.00 1.97 H new ATOM 1163 N TYR A 77 -11.830 4.548 -7.491 1.00 0.74 N ATOM 1164 CA TYR A 77 -10.632 4.451 -8.372 1.00 0.81 C ATOM 1165 C TYR A 77 -10.922 3.519 -9.549 1.00 0.83 C ATOM 1166 O TYR A 77 -10.525 3.774 -10.668 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.528 3.878 -7.485 1.00 0.80 C ATOM 1168 CG TYR A 77 -8.898 4.994 -6.687 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -8.468 6.160 -7.331 1.00 1.42 C ATOM 1170 CD2 TYR A 77 -8.747 4.864 -5.301 1.00 1.18 C ATOM 1171 CE1 TYR A 77 -7.885 7.195 -6.590 1.00 1.56 C ATOM 1172 CE2 TYR A 77 -8.166 5.899 -4.561 1.00 1.19 C ATOM 1173 CZ TYR A 77 -7.734 7.065 -5.205 1.00 1.05 C ATOM 1174 OH TYR A 77 -7.161 8.086 -4.472 1.00 1.22 O ATOM 0 H TYR A 77 -11.712 4.165 -6.553 1.00 0.74 H new ATOM 0 HA TYR A 77 -10.348 5.415 -8.794 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -9.940 3.124 -6.814 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -8.774 3.383 -8.097 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -8.586 6.261 -8.400 1.00 1.42 H new ATOM 0 HD2 TYR A 77 -9.079 3.965 -4.803 1.00 1.18 H new ATOM 0 HE1 TYR A 77 -7.552 8.094 -7.087 1.00 1.56 H new ATOM 0 HE2 TYR A 77 -8.050 5.799 -3.492 1.00 1.19 H new ATOM 0 HH TYR A 77 -6.828 7.731 -3.621 1.00 1.22 H new ATOM 1184 N GLY A 78 -11.608 2.440 -9.303 1.00 0.78 N ATOM 1185 CA GLY A 78 -11.921 1.491 -10.409 1.00 0.87 C ATOM 1186 C GLY A 78 -11.388 0.107 -10.046 1.00 0.88 C ATOM 1187 O GLY A 78 -10.861 -0.607 -10.875 1.00 1.52 O ATOM 0 H GLY A 78 -11.966 2.173 -8.386 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -12.998 1.448 -10.574 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -11.469 1.836 -11.339 1.00 0.87 H new ATOM 1191 N VAL A 79 -11.520 -0.271 -8.807 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.021 -1.604 -8.375 1.00 0.79 C ATOM 1193 C VAL A 79 -11.921 -2.713 -8.930 1.00 1.13 C ATOM 1194 O VAL A 79 -13.099 -2.772 -8.642 1.00 1.54 O ATOM 1195 CB VAL A 79 -11.090 -1.561 -6.851 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.589 -2.885 -6.283 1.00 1.30 C ATOM 1197 CG2 VAL A 79 -10.212 -0.420 -6.335 1.00 0.72 C ATOM 0 H VAL A 79 -11.954 0.288 -8.072 1.00 0.80 H new ATOM 0 HA VAL A 79 -10.014 -1.813 -8.735 1.00 0.79 H new ATOM 0 HB VAL A 79 -12.121 -1.398 -6.537 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -10.638 -2.856 -5.194 1.00 1.30 H new ATOM 0 HG12 VAL A 79 -11.213 -3.699 -6.652 1.00 1.30 H new ATOM 0 HG13 VAL A 79 -9.558 -3.048 -6.596 1.00 1.30 H new ATOM 0 HG21 VAL A 79 -10.260 -0.388 -5.247 1.00 0.72 H new ATOM 0 HG22 VAL A 79 -9.181 -0.584 -6.648 1.00 0.72 H new ATOM 0 HG23 VAL A 79 -10.569 0.526 -6.742 1.00 0.72 H new ATOM 1207 N ARG A 80 -11.373 -3.588 -9.727 1.00 1.27 N ATOM 1208 CA ARG A 80 -12.197 -4.691 -10.304 1.00 1.72 C ATOM 1209 C ARG A 80 -12.331 -5.840 -9.300 1.00 1.38 C ATOM 1210 O ARG A 80 -13.370 -6.461 -9.192 1.00 1.87 O ATOM 1211 CB ARG A 80 -11.429 -5.149 -11.545 1.00 2.38 C ATOM 1212 CG ARG A 80 -12.048 -4.514 -12.793 1.00 2.85 C ATOM 1213 CD ARG A 80 -11.469 -5.179 -14.043 1.00 3.49 C ATOM 1214 NE ARG A 80 -12.603 -5.944 -14.631 1.00 4.06 N ATOM 1215 CZ ARG A 80 -13.247 -5.466 -15.661 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -13.656 -4.227 -15.655 1.00 5.09 N ATOM 1217 NH2 ARG A 80 -13.479 -6.227 -16.694 1.00 5.25 N ATOM 0 H ARG A 80 -10.391 -3.588 -10.004 1.00 1.27 H new ATOM 0 HA ARG A 80 -13.209 -4.366 -10.545 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -10.380 -4.865 -11.462 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -11.459 -6.236 -11.624 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -13.132 -4.631 -12.774 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -11.843 -3.444 -12.809 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -11.087 -4.437 -14.744 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -10.637 -5.837 -13.791 1.00 3.49 H new ATOM 0 HE ARG A 80 -12.876 -6.841 -14.229 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -13.472 -3.633 -14.846 1.00 5.09 H new ATOM 0 HH12 ARG A 80 -14.159 -3.852 -16.459 1.00 5.09 H new ATOM 0 HH21 ARG A 80 -13.157 -7.195 -16.697 1.00 5.25 H new ATOM 0 HH22 ARG A 80 -13.982 -5.854 -17.499 1.00 5.25 H new ATOM 1231 N GLY A 81 -11.290 -6.131 -8.569 1.00 0.87 N ATOM 1232 CA GLY A 81 -11.366 -7.243 -7.578 1.00 0.81 C ATOM 1233 C GLY A 81 -10.143 -7.197 -6.655 1.00 0.74 C ATOM 1234 O GLY A 81 -9.097 -6.697 -7.018 1.00 1.17 O ATOM 0 H GLY A 81 -10.392 -5.649 -8.614 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -12.280 -7.158 -6.991 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -11.408 -8.202 -8.095 1.00 0.81 H new ATOM 1238 N TYR A 82 -10.270 -7.716 -5.463 1.00 0.61 N ATOM 1239 CA TYR A 82 -9.121 -7.705 -4.512 1.00 0.52 C ATOM 1240 C TYR A 82 -8.285 -8.984 -4.697 1.00 0.54 C ATOM 1241 O TYR A 82 -8.776 -9.952 -5.242 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.749 -7.668 -3.107 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.868 -6.648 -3.056 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.687 -5.380 -3.622 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -12.087 -6.979 -2.454 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -11.726 -4.444 -3.586 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -13.126 -6.042 -2.416 1.00 1.04 C ATOM 1248 CZ TYR A 82 -12.946 -4.774 -2.983 1.00 0.75 C ATOM 1249 OH TYR A 82 -13.971 -3.850 -2.947 1.00 0.85 O ATOM 0 H TYR A 82 -11.122 -8.148 -5.106 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.458 -6.855 -4.674 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -10.135 -8.654 -2.848 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -8.988 -7.419 -2.368 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -9.746 -5.125 -4.086 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.226 -7.958 -2.019 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -11.587 -3.466 -4.023 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -14.066 -6.297 -1.950 1.00 1.04 H new ATOM 0 HH TYR A 82 -14.810 -4.301 -2.718 1.00 0.85 H new ATOM 1259 N PRO A 83 -7.043 -8.966 -4.246 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.447 -7.775 -3.577 1.00 0.51 C ATOM 1261 C PRO A 83 -6.061 -6.710 -4.608 1.00 0.51 C ATOM 1262 O PRO A 83 -5.441 -7.001 -5.613 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.203 -8.329 -2.894 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.831 -9.547 -3.681 1.00 0.66 C ATOM 1265 CD PRO A 83 -6.088 -10.078 -4.324 1.00 0.64 C ATOM 0 HA PRO A 83 -7.136 -7.293 -2.883 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.395 -7.598 -2.895 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.404 -8.580 -1.853 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -4.088 -9.300 -4.439 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.386 -10.301 -3.032 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.909 -10.375 -5.357 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -6.460 -10.958 -3.799 1.00 0.64 H new ATOM 1273 N THR A 84 -6.414 -5.478 -4.363 1.00 0.45 N ATOM 1274 CA THR A 84 -6.056 -4.395 -5.322 1.00 0.45 C ATOM 1275 C THR A 84 -4.956 -3.517 -4.719 1.00 0.43 C ATOM 1276 O THR A 84 -5.225 -2.522 -4.077 1.00 0.52 O ATOM 1277 CB THR A 84 -7.340 -3.588 -5.516 1.00 0.48 C ATOM 1278 OG1 THR A 84 -8.406 -4.468 -5.844 1.00 0.67 O ATOM 1279 CG2 THR A 84 -7.142 -2.577 -6.646 1.00 0.56 C ATOM 0 H THR A 84 -6.935 -5.175 -3.540 1.00 0.45 H new ATOM 0 HA THR A 84 -5.680 -4.784 -6.268 1.00 0.45 H new ATOM 0 HB THR A 84 -7.579 -3.057 -4.595 1.00 0.48 H new ATOM 0 HG1 THR A 84 -8.061 -5.216 -6.375 1.00 0.67 H new ATOM 0 HG21 THR A 84 -8.058 -2.002 -6.784 1.00 0.56 H new ATOM 0 HG22 THR A 84 -6.325 -1.902 -6.392 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.903 -3.105 -7.569 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.721 -3.886 -4.915 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.604 -3.080 -4.345 1.00 0.41 C ATOM 1289 C ILE A 85 -2.281 -1.896 -5.258 1.00 0.41 C ATOM 1290 O ILE A 85 -2.166 -2.038 -6.459 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.413 -4.040 -4.282 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.785 -5.268 -3.447 1.00 0.89 C ATOM 1293 CG2 ILE A 85 -0.222 -3.331 -3.634 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -2.189 -6.415 -4.375 1.00 1.27 C ATOM 0 H ILE A 85 -3.436 -4.710 -5.445 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.854 -2.669 -3.367 1.00 0.41 H new ATOM 0 HB ILE A 85 -1.149 -4.354 -5.292 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -0.940 -5.568 -2.827 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.606 -5.026 -2.772 1.00 0.89 H new ATOM 0 HG21 ILE A 85 0.627 -4.013 -3.588 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.047 -2.456 -4.226 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.490 -3.018 -2.625 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -2.454 -7.289 -3.780 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -3.047 -6.112 -4.976 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -1.355 -6.663 -5.032 1.00 1.27 H new ATOM 1306 N LYS A 86 -2.126 -0.728 -4.697 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.803 0.465 -5.533 1.00 0.40 C ATOM 1308 C LYS A 86 -0.678 1.275 -4.883 1.00 0.38 C ATOM 1309 O LYS A 86 -0.302 1.038 -3.753 1.00 0.49 O ATOM 1310 CB LYS A 86 -3.090 1.289 -5.579 1.00 0.48 C ATOM 1311 CG LYS A 86 -4.237 0.423 -6.105 1.00 0.94 C ATOM 1312 CD LYS A 86 -5.070 1.236 -7.098 1.00 1.03 C ATOM 1313 CE LYS A 86 -5.835 0.286 -8.023 1.00 1.37 C ATOM 1314 NZ LYS A 86 -5.172 0.429 -9.349 1.00 1.73 N ATOM 0 H LYS A 86 -2.209 -0.547 -3.697 1.00 0.37 H new ATOM 0 HA LYS A 86 -1.465 0.184 -6.531 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.330 1.662 -4.584 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.954 2.159 -6.222 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.841 -0.470 -6.590 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -4.862 0.086 -5.278 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -5.768 1.879 -6.562 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -4.422 1.888 -7.684 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -5.784 -0.742 -7.664 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -6.891 0.552 -8.078 1.00 1.37 H new ATOM 0 HZ2 LYS A 86 -5.640 -0.192 -10.040 1.00 1.73 H new ATOM 1328 N PHE A 87 -0.144 2.234 -5.589 1.00 0.37 N ATOM 1329 CA PHE A 87 0.954 3.061 -5.011 1.00 0.36 C ATOM 1330 C PHE A 87 0.657 4.550 -5.212 1.00 0.33 C ATOM 1331 O PHE A 87 0.408 4.998 -6.314 1.00 0.37 O ATOM 1332 CB PHE A 87 2.208 2.656 -5.785 1.00 0.42 C ATOM 1333 CG PHE A 87 3.428 2.934 -4.942 1.00 0.46 C ATOM 1334 CD1 PHE A 87 3.688 4.233 -4.493 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.302 1.891 -4.612 1.00 0.81 C ATOM 1336 CE1 PHE A 87 4.821 4.491 -3.713 1.00 0.46 C ATOM 1337 CE2 PHE A 87 5.436 2.149 -3.833 1.00 0.97 C ATOM 1338 CZ PHE A 87 5.689 3.449 -3.373 1.00 0.72 C ATOM 0 H PHE A 87 -0.420 2.481 -6.540 1.00 0.37 H new ATOM 0 HA PHE A 87 1.069 2.901 -3.939 1.00 0.36 H new ATOM 0 HB2 PHE A 87 2.164 1.598 -6.043 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.266 3.210 -6.722 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.014 5.037 -4.748 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.101 0.888 -4.958 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.025 5.496 -3.373 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.116 1.347 -3.586 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.554 3.645 -2.756 1.00 0.72 H new ATOM 1348 N PHE A 88 0.676 5.320 -4.158 1.00 0.33 N ATOM 1349 CA PHE A 88 0.390 6.773 -4.294 1.00 0.35 C ATOM 1350 C PHE A 88 1.613 7.596 -3.874 1.00 0.42 C ATOM 1351 O PHE A 88 2.311 7.257 -2.938 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.783 7.018 -3.350 1.00 0.39 C ATOM 1353 CG PHE A 88 -2.070 6.622 -4.033 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -2.402 5.269 -4.175 1.00 0.63 C ATOM 1355 CD2 PHE A 88 -2.931 7.610 -4.526 1.00 0.54 C ATOM 1356 CE1 PHE A 88 -3.597 4.906 -4.810 1.00 0.73 C ATOM 1357 CE2 PHE A 88 -4.125 7.246 -5.160 1.00 0.62 C ATOM 1358 CZ PHE A 88 -4.455 5.880 -5.297 1.00 0.62 C ATOM 0 H PHE A 88 0.877 5.004 -3.209 1.00 0.33 H new ATOM 0 HA PHE A 88 0.160 7.064 -5.319 1.00 0.35 H new ATOM 0 HB2 PHE A 88 -0.653 6.442 -2.434 1.00 0.39 H new ATOM 0 HB3 PHE A 88 -0.819 8.069 -3.063 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.738 4.506 -3.796 1.00 0.63 H new ATOM 0 HD2 PHE A 88 -2.674 8.653 -4.417 1.00 0.54 H new ATOM 0 HE1 PHE A 88 -3.851 3.862 -4.921 1.00 0.73 H new ATOM 0 HE2 PHE A 88 -4.790 8.006 -5.542 1.00 0.62 H new ATOM 0 HZ PHE A 88 -5.377 5.594 -5.782 1.00 0.62 H new ATOM 1368 N ARG A 89 1.880 8.671 -4.564 1.00 0.47 N ATOM 1369 CA ARG A 89 3.059 9.518 -4.216 1.00 0.55 C ATOM 1370 C ARG A 89 2.799 10.311 -2.938 1.00 0.64 C ATOM 1371 O ARG A 89 1.837 10.088 -2.230 1.00 1.05 O ATOM 1372 CB ARG A 89 3.229 10.464 -5.403 1.00 0.73 C ATOM 1373 CG ARG A 89 4.716 10.599 -5.744 1.00 1.15 C ATOM 1374 CD ARG A 89 4.863 11.151 -7.164 1.00 1.42 C ATOM 1375 NE ARG A 89 6.191 10.668 -7.633 1.00 1.73 N ATOM 1376 CZ ARG A 89 6.550 10.851 -8.874 1.00 2.07 C ATOM 1377 NH1 ARG A 89 6.019 10.129 -9.822 1.00 2.56 N ATOM 1378 NH2 ARG A 89 7.442 11.758 -9.166 1.00 2.43 N ATOM 0 H ARG A 89 1.331 9.001 -5.357 1.00 0.47 H new ATOM 0 HA ARG A 89 3.950 8.918 -4.034 1.00 0.55 H new ATOM 0 HB2 ARG A 89 2.681 10.084 -6.265 1.00 0.73 H new ATOM 0 HB3 ARG A 89 2.810 11.442 -5.165 1.00 0.73 H new ATOM 0 HG2 ARG A 89 5.205 11.263 -5.031 1.00 1.15 H new ATOM 0 HG3 ARG A 89 5.208 9.629 -5.666 1.00 1.15 H new ATOM 0 HD2 ARG A 89 4.062 10.793 -7.811 1.00 1.42 H new ATOM 0 HD3 ARG A 89 4.815 12.240 -7.171 1.00 1.42 H new ATOM 0 HE ARG A 89 6.820 10.194 -6.984 1.00 1.73 H new ATOM 0 HH11 ARG A 89 5.322 9.420 -9.594 1.00 2.56 H new ATOM 0 HH12 ARG A 89 6.301 10.273 -10.792 1.00 2.56 H new ATOM 0 HH21 ARG A 89 7.857 12.322 -8.425 1.00 2.43 H new ATOM 0 HH22 ARG A 89 7.724 11.902 -10.136 1.00 2.43 H new ATOM 1392 N ASN A 90 3.668 11.235 -2.647 1.00 0.57 N ATOM 1393 CA ASN A 90 3.520 12.071 -1.416 1.00 0.68 C ATOM 1394 C ASN A 90 2.075 12.560 -1.237 1.00 0.69 C ATOM 1395 O ASN A 90 1.650 12.855 -0.141 1.00 0.98 O ATOM 1396 CB ASN A 90 4.462 13.255 -1.635 1.00 0.87 C ATOM 1397 CG ASN A 90 3.985 14.075 -2.837 1.00 1.10 C ATOM 1398 OD1 ASN A 90 2.890 14.604 -2.830 1.00 1.65 O ATOM 1399 ND2 ASN A 90 4.765 14.205 -3.874 1.00 1.74 N ATOM 0 H ASN A 90 4.487 11.453 -3.215 1.00 0.57 H new ATOM 0 HA ASN A 90 3.759 11.505 -0.515 1.00 0.68 H new ATOM 0 HB2 ASN A 90 4.490 13.881 -0.743 1.00 0.87 H new ATOM 0 HB3 ASN A 90 5.478 12.898 -1.805 1.00 0.87 H new ATOM 0 HD21 ASN A 90 4.457 14.750 -4.679 1.00 1.74 H new ATOM 0 HD22 ASN A 90 5.683 13.761 -3.880 1.00 1.74 H new ATOM 1406 N GLY A 91 1.321 12.655 -2.296 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.088 13.127 -2.159 1.00 0.75 C ATOM 1408 C GLY A 91 -0.457 14.006 -3.352 1.00 0.79 C ATOM 1409 O GLY A 91 -1.080 15.039 -3.207 1.00 1.19 O ATOM 0 H GLY A 91 1.615 12.428 -3.246 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -0.763 12.273 -2.102 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.205 13.688 -1.232 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.081 13.602 -4.531 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.413 14.412 -5.737 1.00 1.27 C ATOM 1415 C ASP A 92 -0.272 13.560 -7.000 1.00 1.14 C ATOM 1416 O ASP A 92 -0.013 14.064 -8.075 1.00 1.70 O ATOM 1417 CB ASP A 92 0.607 15.551 -5.741 1.00 1.93 C ATOM 1418 CG ASP A 92 1.963 15.024 -5.267 1.00 2.15 C ATOM 1419 OD1 ASP A 92 2.225 13.850 -5.469 1.00 2.41 O ATOM 1420 OD2 ASP A 92 2.717 15.805 -4.710 1.00 2.68 O ATOM 0 H ASP A 92 0.442 12.746 -4.714 1.00 0.90 H new ATOM 0 HA ASP A 92 -1.438 14.783 -5.717 1.00 1.27 H new ATOM 0 HB2 ASP A 92 0.698 15.969 -6.744 1.00 1.93 H new ATOM 0 HB3 ASP A 92 0.270 16.357 -5.089 1.00 1.93 H new ATOM 1425 N THR A 93 -0.440 12.272 -6.880 1.00 0.96 N ATOM 1426 CA THR A 93 -0.311 11.390 -8.077 1.00 1.33 C ATOM 1427 C THR A 93 -1.615 11.383 -8.882 1.00 1.26 C ATOM 1428 O THR A 93 -2.494 10.577 -8.648 1.00 1.90 O ATOM 1429 CB THR A 93 -0.020 9.997 -7.516 1.00 1.74 C ATOM 1430 OG1 THR A 93 0.078 9.070 -8.589 1.00 2.10 O ATOM 1431 CG2 THR A 93 -1.150 9.572 -6.575 1.00 1.92 C ATOM 0 H THR A 93 -0.661 11.792 -6.008 1.00 0.96 H new ATOM 0 HA THR A 93 0.474 11.731 -8.753 1.00 1.33 H new ATOM 0 HB THR A 93 0.919 10.018 -6.962 1.00 1.74 H new ATOM 0 HG1 THR A 93 0.566 8.274 -8.290 1.00 2.10 H new ATOM 0 HG21 THR A 93 -0.939 8.579 -6.178 1.00 1.92 H new ATOM 0 HG22 THR A 93 -1.226 10.283 -5.753 1.00 1.92 H new ATOM 0 HG23 THR A 93 -2.092 9.550 -7.124 1.00 1.92 H new ATOM 1439 N ALA A 94 -1.746 12.265 -9.837 1.00 1.18 N ATOM 1440 CA ALA A 94 -2.991 12.289 -10.658 1.00 1.18 C ATOM 1441 C ALA A 94 -3.232 10.903 -11.261 1.00 1.14 C ATOM 1442 O ALA A 94 -4.353 10.486 -11.472 1.00 1.48 O ATOM 1443 CB ALA A 94 -2.729 13.319 -11.757 1.00 1.24 C ATOM 0 H ALA A 94 -1.048 12.967 -10.083 1.00 1.18 H new ATOM 0 HA ALA A 94 -3.874 12.547 -10.073 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.604 13.392 -12.403 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -2.529 14.291 -11.305 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -1.867 13.010 -12.348 1.00 1.24 H new ATOM 1449 N SER A 95 -2.176 10.184 -11.525 1.00 1.20 N ATOM 1450 CA SER A 95 -2.319 8.817 -12.099 1.00 1.22 C ATOM 1451 C SER A 95 -1.562 7.814 -11.220 1.00 0.98 C ATOM 1452 O SER A 95 -0.363 7.663 -11.350 1.00 0.98 O ATOM 1453 CB SER A 95 -1.689 8.899 -13.490 1.00 1.48 C ATOM 1454 OG SER A 95 -2.232 7.879 -14.316 1.00 2.01 O ATOM 0 H SER A 95 -1.215 10.487 -11.367 1.00 1.20 H new ATOM 0 HA SER A 95 -3.357 8.488 -12.150 1.00 1.22 H new ATOM 0 HB2 SER A 95 -1.879 9.878 -13.930 1.00 1.48 H new ATOM 0 HB3 SER A 95 -0.607 8.786 -13.418 1.00 1.48 H new ATOM 0 HG SER A 95 -1.830 7.932 -15.208 1.00 2.01 H new ATOM 1460 N PRO A 96 -2.287 7.160 -10.343 1.00 0.87 N ATOM 1461 CA PRO A 96 -1.660 6.170 -9.431 1.00 0.72 C ATOM 1462 C PRO A 96 -1.229 4.920 -10.202 1.00 0.65 C ATOM 1463 O PRO A 96 -1.882 4.497 -11.135 1.00 0.79 O ATOM 1464 CB PRO A 96 -2.769 5.842 -8.436 1.00 0.79 C ATOM 1465 CG PRO A 96 -4.039 6.149 -9.165 1.00 0.97 C ATOM 1466 CD PRO A 96 -3.735 7.279 -10.111 1.00 1.02 C ATOM 0 HA PRO A 96 -0.759 6.549 -8.948 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -2.731 4.796 -8.131 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -2.678 6.441 -7.530 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -4.393 5.274 -9.709 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -4.827 6.431 -8.467 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -4.298 7.186 -11.040 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -3.993 8.245 -9.677 1.00 1.02 H new ATOM 1474 N LYS A 97 -0.136 4.325 -9.811 1.00 0.55 N ATOM 1475 CA LYS A 97 0.340 3.101 -10.512 1.00 0.57 C ATOM 1476 C LYS A 97 -0.128 1.855 -9.758 1.00 0.53 C ATOM 1477 O LYS A 97 -0.639 1.940 -8.659 1.00 0.89 O ATOM 1478 CB LYS A 97 1.865 3.204 -10.485 1.00 0.68 C ATOM 1479 CG LYS A 97 2.316 4.327 -11.421 1.00 0.85 C ATOM 1480 CD LYS A 97 3.180 3.742 -12.541 1.00 1.63 C ATOM 1481 CE LYS A 97 2.313 3.493 -13.778 1.00 2.05 C ATOM 1482 NZ LYS A 97 3.241 3.644 -14.934 1.00 2.61 N ATOM 0 H LYS A 97 0.449 4.635 -9.035 1.00 0.55 H new ATOM 0 HA LYS A 97 -0.045 3.023 -11.529 1.00 0.57 H new ATOM 0 HB2 LYS A 97 2.209 3.402 -9.470 1.00 0.68 H new ATOM 0 HB3 LYS A 97 2.310 2.258 -10.794 1.00 0.68 H new ATOM 0 HG2 LYS A 97 1.448 4.833 -11.843 1.00 0.85 H new ATOM 0 HG3 LYS A 97 2.881 5.074 -10.864 1.00 0.85 H new ATOM 0 HD2 LYS A 97 3.991 4.428 -12.785 1.00 1.63 H new ATOM 0 HD3 LYS A 97 3.639 2.810 -12.212 1.00 1.63 H new ATOM 0 HE2 LYS A 97 1.869 2.498 -13.755 1.00 2.05 H new ATOM 0 HE3 LYS A 97 1.492 4.207 -13.835 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 2.720 3.488 -15.820 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 3.643 4.603 -14.933 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 4.009 2.947 -14.856 1.00 2.61 H new ATOM 1496 N GLU A 98 0.041 0.699 -10.335 1.00 0.51 N ATOM 1497 CA GLU A 98 -0.399 -0.545 -9.642 1.00 0.48 C ATOM 1498 C GLU A 98 0.798 -1.464 -9.391 1.00 0.45 C ATOM 1499 O GLU A 98 1.742 -1.495 -10.156 1.00 0.61 O ATOM 1500 CB GLU A 98 -1.391 -1.204 -10.600 1.00 0.61 C ATOM 1501 CG GLU A 98 -2.486 -1.908 -9.796 1.00 1.33 C ATOM 1502 CD GLU A 98 -3.370 -0.864 -9.113 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -2.863 -0.156 -8.258 1.00 2.79 O ATOM 1504 OE2 GLU A 98 -4.537 -0.789 -9.455 1.00 2.61 O ATOM 0 H GLU A 98 0.463 0.561 -11.253 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.848 -0.338 -8.670 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -1.832 -0.454 -11.256 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -0.875 -1.922 -11.238 1.00 0.61 H new ATOM 0 HG2 GLU A 98 -3.088 -2.535 -10.453 1.00 1.33 H new ATOM 0 HG3 GLU A 98 -2.039 -2.565 -9.050 1.00 1.33 H new ATOM 1511 N TYR A 99 0.765 -2.213 -8.324 1.00 0.45 N ATOM 1512 CA TYR A 99 1.898 -3.132 -8.020 1.00 0.46 C ATOM 1513 C TYR A 99 1.752 -4.432 -8.818 1.00 0.53 C ATOM 1514 O TYR A 99 0.700 -5.038 -8.846 1.00 0.67 O ATOM 1515 CB TYR A 99 1.791 -3.403 -6.519 1.00 0.52 C ATOM 1516 CG TYR A 99 2.837 -4.414 -6.111 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.194 -4.129 -6.299 1.00 1.20 C ATOM 1518 CD2 TYR A 99 2.449 -5.634 -5.544 1.00 1.58 C ATOM 1519 CE1 TYR A 99 5.164 -5.063 -5.921 1.00 1.49 C ATOM 1520 CE2 TYR A 99 3.419 -6.569 -5.165 1.00 2.05 C ATOM 1521 CZ TYR A 99 4.771 -6.291 -5.356 1.00 1.70 C ATOM 1522 OH TYR A 99 5.735 -7.203 -4.981 1.00 2.27 O ATOM 0 H TYR A 99 0.001 -2.229 -7.648 1.00 0.45 H new ATOM 0 HA TYR A 99 2.864 -2.705 -8.288 1.00 0.46 H new ATOM 0 HB2 TYR A 99 1.929 -2.477 -5.961 1.00 0.52 H new ATOM 0 HB3 TYR A 99 0.796 -3.776 -6.277 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.492 -3.188 -6.736 1.00 1.20 H new ATOM 0 HD2 TYR A 99 1.402 -5.853 -5.399 1.00 1.58 H new ATOM 0 HE1 TYR A 99 6.212 -4.843 -6.062 1.00 1.49 H new ATOM 0 HE2 TYR A 99 3.119 -7.508 -4.724 1.00 2.05 H new ATOM 0 HH TYR A 99 5.304 -8.000 -4.607 1.00 2.27 H new ATOM 1532 N THR A 100 2.800 -4.863 -9.467 1.00 0.60 N ATOM 1533 CA THR A 100 2.716 -6.122 -10.261 1.00 0.72 C ATOM 1534 C THR A 100 4.072 -6.836 -10.269 1.00 0.83 C ATOM 1535 O THR A 100 4.864 -6.673 -11.176 1.00 1.71 O ATOM 1536 CB THR A 100 2.341 -5.673 -11.674 1.00 0.93 C ATOM 1537 OG1 THR A 100 3.301 -4.735 -12.143 1.00 1.36 O ATOM 1538 CG2 THR A 100 0.958 -5.024 -11.657 1.00 1.13 C ATOM 0 H THR A 100 3.708 -4.399 -9.482 1.00 0.60 H new ATOM 0 HA THR A 100 1.991 -6.823 -9.848 1.00 0.72 H new ATOM 0 HB THR A 100 2.324 -6.539 -12.336 1.00 0.93 H new ATOM 0 HG1 THR A 100 4.200 -5.117 -12.059 1.00 1.36 H new ATOM 0 HG21 THR A 100 0.693 -4.705 -12.665 1.00 1.13 H new ATOM 0 HG22 THR A 100 0.222 -5.745 -11.300 1.00 1.13 H new ATOM 0 HG23 THR A 100 0.970 -4.159 -10.994 1.00 1.13 H new ATOM 1546 N ALA A 101 4.346 -7.627 -9.266 1.00 0.83 N ATOM 1547 CA ALA A 101 5.650 -8.349 -9.221 1.00 1.01 C ATOM 1548 C ALA A 101 5.426 -9.838 -8.948 1.00 1.36 C ATOM 1549 O ALA A 101 5.413 -10.650 -9.852 1.00 1.98 O ATOM 1550 CB ALA A 101 6.426 -7.700 -8.074 1.00 0.87 C ATOM 0 H ALA A 101 3.724 -7.804 -8.477 1.00 0.83 H new ATOM 0 HA ALA A 101 6.190 -8.281 -10.165 1.00 1.01 H new ATOM 0 HB1 ALA A 101 7.400 -8.179 -7.977 1.00 0.87 H new ATOM 0 HB2 ALA A 101 6.562 -6.639 -8.282 1.00 0.87 H new ATOM 0 HB3 ALA A 101 5.869 -7.819 -7.145 1.00 0.87 H new ATOM 1556 N GLY A 102 5.249 -10.205 -7.708 1.00 1.17 N ATOM 1557 CA GLY A 102 5.027 -11.641 -7.380 1.00 1.71 C ATOM 1558 C GLY A 102 3.981 -11.760 -6.270 1.00 1.08 C ATOM 1559 O GLY A 102 2.811 -11.506 -6.478 1.00 1.27 O ATOM 0 H GLY A 102 5.249 -9.572 -6.908 1.00 1.17 H new ATOM 0 HA2 GLY A 102 4.693 -12.179 -8.267 1.00 1.71 H new ATOM 0 HA3 GLY A 102 5.963 -12.100 -7.062 1.00 1.71 H new ATOM 1563 N ARG A 103 4.393 -12.145 -5.092 1.00 0.90 N ATOM 1564 CA ARG A 103 3.422 -12.282 -3.968 1.00 1.11 C ATOM 1565 C ARG A 103 4.169 -12.412 -2.636 1.00 0.94 C ATOM 1566 O ARG A 103 3.699 -13.045 -1.712 1.00 1.04 O ATOM 1567 CB ARG A 103 2.650 -13.567 -4.272 1.00 1.71 C ATOM 1568 CG ARG A 103 1.206 -13.225 -4.645 1.00 2.44 C ATOM 1569 CD ARG A 103 0.586 -14.398 -5.409 1.00 3.16 C ATOM 1570 NE ARG A 103 -0.119 -13.777 -6.564 1.00 3.73 N ATOM 1571 CZ ARG A 103 -0.223 -14.428 -7.691 1.00 4.34 C ATOM 1572 NH1 ARG A 103 -1.196 -15.280 -7.865 1.00 4.84 N ATOM 1573 NH2 ARG A 103 0.646 -14.227 -8.643 1.00 4.81 N ATOM 0 H ARG A 103 5.360 -12.371 -4.859 1.00 0.90 H new ATOM 0 HA ARG A 103 2.764 -11.417 -3.882 1.00 1.11 H new ATOM 0 HB2 ARG A 103 3.129 -14.106 -5.090 1.00 1.71 H new ATOM 0 HB3 ARG A 103 2.665 -14.226 -3.404 1.00 1.71 H new ATOM 0 HG2 ARG A 103 0.627 -13.016 -3.746 1.00 2.44 H new ATOM 0 HG3 ARG A 103 1.181 -12.324 -5.258 1.00 2.44 H new ATOM 0 HD2 ARG A 103 1.351 -15.099 -5.744 1.00 3.16 H new ATOM 0 HD3 ARG A 103 -0.106 -14.958 -4.779 1.00 3.16 H new ATOM 0 HE ARG A 103 -0.520 -12.844 -6.475 1.00 3.73 H new ATOM 0 HH11 ARG A 103 -1.875 -15.437 -7.121 1.00 4.84 H new ATOM 0 HH12 ARG A 103 -1.277 -15.789 -8.745 1.00 4.84 H new ATOM 0 HH21 ARG A 103 1.407 -13.561 -8.507 1.00 4.81 H new ATOM 0 HH22 ARG A 103 0.565 -14.736 -9.523 1.00 4.81 H new ATOM 1587 N GLU A 104 5.329 -11.823 -2.534 1.00 0.75 N ATOM 1588 CA GLU A 104 6.102 -11.920 -1.261 1.00 0.66 C ATOM 1589 C GLU A 104 6.688 -10.554 -0.890 1.00 0.56 C ATOM 1590 O GLU A 104 6.787 -9.665 -1.712 1.00 0.57 O ATOM 1591 CB GLU A 104 7.219 -12.923 -1.558 1.00 0.79 C ATOM 1592 CG GLU A 104 6.605 -14.257 -1.989 1.00 1.59 C ATOM 1593 CD GLU A 104 7.349 -15.406 -1.308 1.00 1.87 C ATOM 1594 OE1 GLU A 104 8.493 -15.205 -0.934 1.00 2.04 O ATOM 1595 OE2 GLU A 104 6.764 -16.469 -1.175 1.00 2.51 O ATOM 0 H GLU A 104 5.775 -11.280 -3.274 1.00 0.75 H new ATOM 0 HA GLU A 104 5.482 -12.234 -0.421 1.00 0.66 H new ATOM 0 HB2 GLU A 104 7.868 -12.538 -2.344 1.00 0.79 H new ATOM 0 HB3 GLU A 104 7.840 -13.065 -0.673 1.00 0.79 H new ATOM 0 HG2 GLU A 104 5.548 -14.286 -1.723 1.00 1.59 H new ATOM 0 HG3 GLU A 104 6.664 -14.363 -3.072 1.00 1.59 H new ATOM 1602 N ALA A 105 7.073 -10.377 0.346 1.00 0.50 N ATOM 1603 CA ALA A 105 7.646 -9.068 0.770 1.00 0.44 C ATOM 1604 C ALA A 105 8.851 -8.706 -0.101 1.00 0.45 C ATOM 1605 O ALA A 105 9.083 -7.554 -0.408 1.00 0.47 O ATOM 1606 CB ALA A 105 8.078 -9.276 2.221 1.00 0.47 C ATOM 0 H ALA A 105 7.015 -11.083 1.080 1.00 0.50 H new ATOM 0 HA ALA A 105 6.928 -8.254 0.670 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.512 -8.354 2.607 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.211 -9.549 2.823 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.819 -10.074 2.269 1.00 0.47 H new ATOM 1612 N ASP A 106 9.622 -9.681 -0.500 1.00 0.51 N ATOM 1613 CA ASP A 106 10.811 -9.387 -1.349 1.00 0.56 C ATOM 1614 C ASP A 106 10.366 -8.886 -2.725 1.00 0.54 C ATOM 1615 O ASP A 106 11.070 -8.150 -3.386 1.00 0.64 O ATOM 1616 CB ASP A 106 11.550 -10.720 -1.473 1.00 0.67 C ATOM 1617 CG ASP A 106 12.435 -10.928 -0.242 1.00 1.18 C ATOM 1618 OD1 ASP A 106 12.774 -9.942 0.393 1.00 1.82 O ATOM 1619 OD2 ASP A 106 12.761 -12.068 0.045 1.00 2.02 O ATOM 0 H ASP A 106 9.480 -10.666 -0.275 1.00 0.51 H new ATOM 0 HA ASP A 106 11.444 -8.611 -0.919 1.00 0.56 H new ATOM 0 HB2 ASP A 106 10.835 -11.538 -1.563 1.00 0.67 H new ATOM 0 HB3 ASP A 106 12.158 -10.728 -2.377 1.00 0.67 H new ATOM 1624 N ASP A 107 9.198 -9.275 -3.158 1.00 0.50 N ATOM 1625 CA ASP A 107 8.707 -8.813 -4.488 1.00 0.52 C ATOM 1626 C ASP A 107 8.331 -7.334 -4.417 1.00 0.51 C ATOM 1627 O ASP A 107 8.620 -6.563 -5.311 1.00 0.63 O ATOM 1628 CB ASP A 107 7.473 -9.668 -4.779 1.00 0.55 C ATOM 1629 CG ASP A 107 7.912 -11.075 -5.191 1.00 0.76 C ATOM 1630 OD1 ASP A 107 8.832 -11.178 -5.985 1.00 1.39 O ATOM 1631 OD2 ASP A 107 7.320 -12.024 -4.706 1.00 1.41 O ATOM 0 H ASP A 107 8.564 -9.891 -2.650 1.00 0.50 H new ATOM 0 HA ASP A 107 9.461 -8.916 -5.268 1.00 0.52 H new ATOM 0 HB2 ASP A 107 6.836 -9.718 -3.896 1.00 0.55 H new ATOM 0 HB3 ASP A 107 6.881 -9.213 -5.573 1.00 0.55 H new ATOM 1636 N ILE A 108 7.691 -6.934 -3.355 1.00 0.46 N ATOM 1637 CA ILE A 108 7.297 -5.504 -3.215 1.00 0.52 C ATOM 1638 C ILE A 108 8.545 -4.635 -3.051 1.00 0.50 C ATOM 1639 O ILE A 108 8.634 -3.551 -3.592 1.00 0.52 O ATOM 1640 CB ILE A 108 6.428 -5.453 -1.956 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.135 -6.235 -2.201 1.00 0.73 C ATOM 1642 CG2 ILE A 108 6.086 -3.998 -1.624 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.313 -6.277 -0.913 1.00 0.68 C ATOM 0 H ILE A 108 7.423 -7.536 -2.576 1.00 0.46 H new ATOM 0 HA ILE A 108 6.762 -5.130 -4.088 1.00 0.52 H new ATOM 0 HB ILE A 108 6.973 -5.895 -1.122 1.00 0.60 H new ATOM 0 HG12 ILE A 108 4.559 -5.765 -2.998 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.367 -7.248 -2.530 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.467 -3.965 -0.727 1.00 0.67 H new ATOM 0 HG22 ILE A 108 7.005 -3.438 -1.451 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.542 -3.553 -2.457 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.392 -6.834 -1.087 1.00 0.68 H new ATOM 0 HD12 ILE A 108 4.890 -6.767 -0.129 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.069 -5.261 -0.603 1.00 0.68 H new ATOM 1655 N VAL A 109 9.511 -5.107 -2.315 1.00 0.51 N ATOM 1656 CA VAL A 109 10.756 -4.310 -2.124 1.00 0.56 C ATOM 1657 C VAL A 109 11.501 -4.185 -3.456 1.00 0.51 C ATOM 1658 O VAL A 109 12.089 -3.166 -3.755 1.00 0.55 O ATOM 1659 CB VAL A 109 11.584 -5.104 -1.114 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.942 -4.424 -0.922 1.00 0.81 C ATOM 1661 CG2 VAL A 109 10.845 -5.152 0.224 1.00 0.86 C ATOM 0 H VAL A 109 9.494 -6.008 -1.838 1.00 0.51 H new ATOM 0 HA VAL A 109 10.555 -3.298 -1.773 1.00 0.56 H new ATOM 0 HB VAL A 109 11.734 -6.118 -1.483 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.533 -4.989 -0.202 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.469 -4.388 -1.876 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.792 -3.410 -0.552 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.435 -5.718 0.945 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.696 -4.138 0.594 1.00 0.86 H new ATOM 0 HG23 VAL A 109 9.877 -5.635 0.088 1.00 0.86 H new ATOM 1671 N ASN A 110 11.476 -5.215 -4.257 1.00 0.50 N ATOM 1672 CA ASN A 110 12.179 -5.154 -5.571 1.00 0.52 C ATOM 1673 C ASN A 110 11.462 -4.178 -6.503 1.00 0.50 C ATOM 1674 O ASN A 110 12.069 -3.556 -7.353 1.00 0.59 O ATOM 1675 CB ASN A 110 12.114 -6.577 -6.123 1.00 0.59 C ATOM 1676 CG ASN A 110 13.315 -7.378 -5.616 1.00 0.98 C ATOM 1677 OD1 ASN A 110 13.956 -8.079 -6.374 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.649 -7.303 -4.356 1.00 1.29 N ATOM 0 H ASN A 110 11.000 -6.095 -4.059 1.00 0.50 H new ATOM 0 HA ASN A 110 13.207 -4.805 -5.477 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.186 -7.057 -5.812 1.00 0.59 H new ATOM 0 HB3 ASN A 110 12.112 -6.556 -7.213 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.448 -7.833 -4.008 1.00 1.29 H new ATOM 0 HD22 ASN A 110 13.111 -6.715 -3.720 1.00 1.29 H new ATOM 1685 N TRP A 111 10.178 -4.023 -6.339 1.00 0.46 N ATOM 1686 CA TRP A 111 9.428 -3.071 -7.201 1.00 0.51 C ATOM 1687 C TRP A 111 9.539 -1.661 -6.616 1.00 0.55 C ATOM 1688 O TRP A 111 9.272 -0.678 -7.278 1.00 0.66 O ATOM 1689 CB TRP A 111 7.978 -3.557 -7.166 1.00 0.55 C ATOM 1690 CG TRP A 111 7.206 -2.909 -8.270 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.078 -3.405 -9.522 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.454 -1.661 -8.244 1.00 0.69 C ATOM 1693 NE1 TRP A 111 6.296 -2.539 -10.267 1.00 0.84 N ATOM 1694 CE2 TRP A 111 5.888 -1.450 -9.524 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.212 -0.701 -7.245 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.109 -0.327 -9.802 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 5.428 0.432 -7.523 1.00 1.07 C ATOM 1698 CH2 TRP A 111 4.878 0.618 -8.799 1.00 1.14 C ATOM 0 H TRP A 111 9.616 -4.515 -5.644 1.00 0.46 H new ATOM 0 HA TRP A 111 9.812 -3.033 -8.220 1.00 0.51 H new ATOM 0 HB2 TRP A 111 7.944 -4.641 -7.273 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.526 -3.317 -6.203 1.00 0.55 H new ATOM 0 HD1 TRP A 111 7.514 -4.325 -9.881 1.00 0.73 H new ATOM 0 HE1 TRP A 111 6.051 -2.688 -11.246 1.00 0.84 H new ATOM 0 HE3 TRP A 111 6.631 -0.835 -6.259 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 4.687 -0.189 -10.786 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 5.248 1.164 -6.749 1.00 1.07 H new ATOM 0 HH2 TRP A 111 4.276 1.491 -9.007 1.00 1.14 H new ATOM 1709 N LEU A 112 9.934 -1.559 -5.373 1.00 0.55 N ATOM 1710 CA LEU A 112 10.066 -0.225 -4.734 1.00 0.65 C ATOM 1711 C LEU A 112 11.528 0.231 -4.760 1.00 0.65 C ATOM 1712 O LEU A 112 11.819 1.395 -4.951 1.00 0.75 O ATOM 1713 CB LEU A 112 9.596 -0.442 -3.297 1.00 0.74 C ATOM 1714 CG LEU A 112 8.134 -0.017 -3.174 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.228 -1.188 -3.560 1.00 1.49 C ATOM 1716 CD2 LEU A 112 7.844 0.398 -1.729 1.00 1.10 C ATOM 0 H LEU A 112 10.171 -2.350 -4.774 1.00 0.55 H new ATOM 0 HA LEU A 112 9.488 0.545 -5.245 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.706 -1.491 -3.021 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.214 0.136 -2.609 1.00 0.74 H new ATOM 0 HG LEU A 112 7.943 0.825 -3.840 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.185 -0.885 -3.472 1.00 1.49 H new ATOM 0 HD12 LEU A 112 7.435 -1.484 -4.588 1.00 1.49 H new ATOM 0 HD13 LEU A 112 7.418 -2.030 -2.895 1.00 1.49 H new ATOM 0 HD21 LEU A 112 6.801 0.702 -1.640 1.00 1.10 H new ATOM 0 HD22 LEU A 112 8.035 -0.444 -1.063 1.00 1.10 H new ATOM 0 HD23 LEU A 112 8.489 1.232 -1.454 1.00 1.10 H new ATOM 1728 N LYS A 113 12.452 -0.674 -4.567 1.00 0.62 N ATOM 1729 CA LYS A 113 13.890 -0.279 -4.582 1.00 0.70 C ATOM 1730 C LYS A 113 14.485 -0.472 -5.982 1.00 0.75 C ATOM 1731 O LYS A 113 15.687 -0.493 -6.156 1.00 1.01 O ATOM 1732 CB LYS A 113 14.571 -1.212 -3.579 1.00 0.79 C ATOM 1733 CG LYS A 113 14.771 -0.482 -2.251 1.00 1.42 C ATOM 1734 CD LYS A 113 15.048 -1.502 -1.145 1.00 1.84 C ATOM 1735 CE LYS A 113 15.250 -0.776 0.187 1.00 2.39 C ATOM 1736 NZ LYS A 113 14.159 -1.276 1.069 1.00 2.86 N ATOM 0 H LYS A 113 12.274 -1.664 -4.401 1.00 0.62 H new ATOM 0 HA LYS A 113 14.027 0.771 -4.323 1.00 0.70 H new ATOM 0 HB2 LYS A 113 13.963 -2.104 -3.427 1.00 0.79 H new ATOM 0 HB3 LYS A 113 15.532 -1.544 -3.971 1.00 0.79 H new ATOM 0 HG2 LYS A 113 15.602 0.219 -2.331 1.00 1.42 H new ATOM 0 HG3 LYS A 113 13.884 0.102 -2.008 1.00 1.42 H new ATOM 0 HD2 LYS A 113 14.216 -2.202 -1.066 1.00 1.84 H new ATOM 0 HD3 LYS A 113 15.935 -2.087 -1.390 1.00 1.84 H new ATOM 0 HE2 LYS A 113 16.231 -0.994 0.610 1.00 2.39 H new ATOM 0 HE3 LYS A 113 15.191 0.305 0.060 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 14.232 -0.823 2.002 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 13.237 -1.048 0.644 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 14.245 -2.307 1.177 1.00 2.86 H new ATOM 1750 N LYS A 114 13.656 -0.610 -6.982 1.00 0.71 N ATOM 1751 CA LYS A 114 14.184 -0.795 -8.364 1.00 0.89 C ATOM 1752 C LYS A 114 14.573 0.560 -8.962 1.00 1.07 C ATOM 1753 O LYS A 114 15.375 0.642 -9.871 1.00 1.31 O ATOM 1754 CB LYS A 114 13.032 -1.420 -9.152 1.00 0.92 C ATOM 1755 CG LYS A 114 13.480 -2.762 -9.735 1.00 1.45 C ATOM 1756 CD LYS A 114 14.438 -2.520 -10.902 1.00 1.77 C ATOM 1757 CE LYS A 114 14.958 -3.860 -11.425 1.00 2.49 C ATOM 1758 NZ LYS A 114 14.018 -4.239 -12.517 1.00 3.00 N ATOM 0 H LYS A 114 12.639 -0.603 -6.902 1.00 0.71 H new ATOM 0 HA LYS A 114 15.075 -1.422 -8.386 1.00 0.89 H new ATOM 0 HB2 LYS A 114 12.169 -1.564 -8.502 1.00 0.92 H new ATOM 0 HB3 LYS A 114 12.720 -0.750 -9.953 1.00 0.92 H new ATOM 0 HG2 LYS A 114 13.971 -3.358 -8.966 1.00 1.45 H new ATOM 0 HG3 LYS A 114 12.614 -3.330 -10.074 1.00 1.45 H new ATOM 0 HD2 LYS A 114 13.927 -1.980 -11.699 1.00 1.77 H new ATOM 0 HD3 LYS A 114 15.271 -1.896 -10.578 1.00 1.77 H new ATOM 0 HE2 LYS A 114 15.979 -3.769 -11.797 1.00 2.49 H new ATOM 0 HE3 LYS A 114 14.971 -4.613 -10.637 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 14.310 -5.150 -12.926 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 13.056 -4.325 -12.132 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 14.032 -3.508 -13.256 1.00 3.00 H new ATOM 1772 N ARG A 115 14.011 1.623 -8.454 1.00 1.09 N ATOM 1773 CA ARG A 115 14.347 2.975 -8.988 1.00 1.40 C ATOM 1774 C ARG A 115 14.010 4.046 -7.946 1.00 1.25 C ATOM 1775 O ARG A 115 13.604 5.143 -8.278 1.00 1.55 O ATOM 1776 CB ARG A 115 13.472 3.140 -10.231 1.00 1.86 C ATOM 1777 CG ARG A 115 14.314 2.888 -11.484 1.00 2.43 C ATOM 1778 CD ARG A 115 13.654 3.567 -12.687 1.00 2.92 C ATOM 1779 NE ARG A 115 12.680 2.567 -13.206 1.00 3.45 N ATOM 1780 CZ ARG A 115 12.888 1.989 -14.358 1.00 3.99 C ATOM 1781 NH1 ARG A 115 13.852 1.119 -14.487 1.00 4.52 N ATOM 1782 NH2 ARG A 115 12.131 2.281 -15.379 1.00 4.34 N ATOM 0 H ARG A 115 13.333 1.614 -7.692 1.00 1.09 H new ATOM 0 HA ARG A 115 15.406 3.078 -9.223 1.00 1.40 H new ATOM 0 HB2 ARG A 115 12.636 2.442 -10.195 1.00 1.86 H new ATOM 0 HB3 ARG A 115 13.048 4.144 -10.260 1.00 1.86 H new ATOM 0 HG2 ARG A 115 15.322 3.276 -11.342 1.00 2.43 H new ATOM 0 HG3 ARG A 115 14.407 1.817 -11.663 1.00 2.43 H new ATOM 0 HD2 ARG A 115 13.154 4.490 -12.394 1.00 2.92 H new ATOM 0 HD3 ARG A 115 14.391 3.831 -13.445 1.00 2.92 H new ATOM 0 HE ARG A 115 11.850 2.334 -12.661 1.00 3.45 H new ATOM 0 HH11 ARG A 115 14.443 0.890 -13.688 1.00 4.52 H new ATOM 0 HH12 ARG A 115 14.014 0.667 -15.387 1.00 4.52 H new ATOM 0 HH21 ARG A 115 11.377 2.961 -15.277 1.00 4.34 H new ATOM 0 HH22 ARG A 115 12.293 1.830 -16.279 1.00 4.34 H new