USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 1054 hydrogens (16 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 THR OG1 : rot -49:sc= -0.536 USER MOD Set 1.2: A 48 GLN : amide:sc= -0.302 K(o=-0.84,f=-3.1!) USER MOD Set 2.1: A 21 THR OG1 : rot -35:sc= 1.07 USER MOD Set 2.2: A 100 GLN : amide:sc= 0 K(o=1.1,f=1.6) USER MOD Set 3.1: A 1 MET CE :methyl -156:sc= 0 (180deg=0) USER MOD Set 3.2: A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 79 HIS : no HD1:sc= -5.71! C(o=-5.7!,f=-7.6!) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.267 (180deg=-0.0127) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 13 ASN : amide:sc= -10.1! C(o=-10!,f=-11!) USER MOD Single : A 15 ASN : amide:sc= -1.86 K(o=-1.9,f=-2.4!) USER MOD Single : A 16 ASN : amide:sc= -0.0739 K(o=-0.074,f=-0.67) USER MOD Single : A 28 HIS : no HE2:sc= -7.37! C(o=-7.4!,f=-7!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -1.85 X(o=-1.8,f=-2.2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -158:sc= -0.756 (180deg=-1.99!) USER MOD Single : A 55 GLN : amide:sc= -0.0806 X(o=-0.081,f=-0.47) USER MOD Single : A 61 THR OG1 : rot 106:sc= 0.042 USER MOD Single : A 63 GLN : amide:sc= -0.342 K(o=-0.34,f=-3.5!) USER MOD Single : A 64 HIS : no HD1:sc= -16.1! C(o=-16!,f=-19!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -150:sc= -1.39 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0.0682 USER MOD Single : A 111 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.3!) USER MOD Single : A 119 ASN : amide:sc= -7.58! C(o=-7.6!,f=-3.6!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 8OG O3' : rot 40:sc=-0.00837 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.225 -25.424 -1.055 1.00 0.00 N ATOM 2 CA MET A 1 -5.699 -24.315 -0.186 1.00 0.00 C ATOM 3 C MET A 1 -5.897 -23.033 -0.987 1.00 0.00 C ATOM 4 O MET A 1 -5.321 -22.866 -2.062 1.00 0.00 O ATOM 5 CB MET A 1 -4.669 -24.091 0.924 1.00 0.00 C ATOM 6 CG MET A 1 -3.314 -23.631 0.411 1.00 0.00 C ATOM 7 SD MET A 1 -2.110 -24.972 0.327 1.00 0.00 S ATOM 8 CE MET A 1 -0.654 -24.087 -0.224 1.00 0.00 C ATOM 0 H1 MET A 1 -5.894 -26.218 -1.000 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.162 -25.092 -2.038 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.287 -25.739 -0.735 1.00 0.00 H new ATOM 0 HA MET A 1 -6.663 -24.585 0.245 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.055 -23.349 1.622 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.541 -25.018 1.483 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.435 -23.194 -0.580 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.931 -22.845 1.062 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.025 -24.779 -0.722 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.947 -23.301 -0.920 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.152 -23.641 0.635 1.00 0.00 H new ATOM 20 N LYS A 2 -6.715 -22.130 -0.457 1.00 0.00 N ATOM 21 CA LYS A 2 -6.989 -20.862 -1.123 1.00 0.00 C ATOM 22 C LYS A 2 -6.356 -19.699 -0.365 1.00 0.00 C ATOM 23 O LYS A 2 -6.523 -19.570 0.847 1.00 0.00 O ATOM 24 CB LYS A 2 -8.499 -20.644 -1.246 1.00 0.00 C ATOM 25 CG LYS A 2 -8.899 -19.838 -2.473 1.00 0.00 C ATOM 26 CD LYS A 2 -9.892 -20.594 -3.341 1.00 0.00 C ATOM 27 CE LYS A 2 -9.618 -20.376 -4.819 1.00 0.00 C ATOM 28 NZ LYS A 2 -10.781 -20.763 -5.664 1.00 0.00 N ATOM 0 H LYS A 2 -7.200 -22.253 0.432 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.551 -20.902 -2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.996 -21.613 -1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.858 -20.133 -0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.337 -18.890 -2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.011 -19.600 -3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.839 -21.659 -3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.905 -20.268 -3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.377 -19.327 -4.992 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.745 -20.957 -5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -10.553 -20.599 -6.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.996 -21.770 -5.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.608 -20.191 -5.399 1.00 0.00 H new ATOM 42 N LYS A 3 -5.628 -18.856 -1.090 1.00 0.00 N ATOM 43 CA LYS A 3 -4.969 -17.702 -0.489 1.00 0.00 C ATOM 44 C LYS A 3 -5.134 -16.468 -1.368 1.00 0.00 C ATOM 45 O LYS A 3 -5.378 -16.580 -2.571 1.00 0.00 O ATOM 46 CB LYS A 3 -3.482 -17.993 -0.273 1.00 0.00 C ATOM 47 CG LYS A 3 -3.214 -19.007 0.826 1.00 0.00 C ATOM 48 CD LYS A 3 -1.772 -18.943 1.308 1.00 0.00 C ATOM 49 CE LYS A 3 -1.028 -20.237 1.023 1.00 0.00 C ATOM 50 NZ LYS A 3 -0.931 -21.100 2.233 1.00 0.00 N ATOM 0 H LYS A 3 -5.479 -18.950 -2.095 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.437 -17.507 0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.053 -18.359 -1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.970 -17.062 -0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.887 -18.823 1.664 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.431 -20.010 0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.261 -18.114 0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.755 -18.741 2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.538 -20.782 0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.026 -20.007 0.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.417 -21.973 1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.422 -20.590 2.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.887 -21.341 2.565 1.00 0.00 H new ATOM 64 N LEU A 4 -4.994 -15.290 -0.768 1.00 0.00 N ATOM 65 CA LEU A 4 -5.122 -14.036 -1.506 1.00 0.00 C ATOM 66 C LEU A 4 -4.182 -12.980 -0.932 1.00 0.00 C ATOM 67 O LEU A 4 -4.304 -12.599 0.231 1.00 0.00 O ATOM 68 CB LEU A 4 -6.569 -13.539 -1.457 1.00 0.00 C ATOM 69 CG LEU A 4 -7.046 -13.062 -0.083 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.853 -11.560 0.056 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.505 -13.435 0.134 1.00 0.00 C ATOM 0 H LEU A 4 -4.792 -15.176 0.225 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.847 -14.216 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.680 -12.720 -2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.224 -14.343 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.447 -13.558 0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.197 -11.238 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.796 -11.317 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.427 -11.047 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.827 -13.088 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.119 -12.967 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.616 -14.518 0.077 1.00 0.00 H new ATOM 83 N GLN A 5 -3.221 -12.527 -1.737 1.00 0.00 N ATOM 84 CA GLN A 5 -2.246 -11.543 -1.289 1.00 0.00 C ATOM 85 C GLN A 5 -2.555 -10.139 -1.792 1.00 0.00 C ATOM 86 O GLN A 5 -3.221 -9.950 -2.806 1.00 0.00 O ATOM 87 CB GLN A 5 -0.864 -11.937 -1.801 1.00 0.00 C ATOM 88 CG GLN A 5 -0.482 -13.364 -1.465 1.00 0.00 C ATOM 89 CD GLN A 5 0.995 -13.640 -1.668 1.00 0.00 C ATOM 90 OE1 GLN A 5 1.669 -14.161 -0.780 1.00 0.00 O ATOM 91 NE2 GLN A 5 1.506 -13.289 -2.843 1.00 0.00 N ATOM 0 H GLN A 5 -3.100 -12.829 -2.704 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.283 -11.529 -0.200 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.835 -11.806 -2.883 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.121 -11.261 -1.378 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.747 -13.572 -0.428 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.063 -14.047 -2.085 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.910 -12.860 -3.551 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.494 -13.449 -3.038 1.00 0.00 H new ATOM 100 N ILE A 6 -2.033 -9.158 -1.071 1.00 0.00 N ATOM 101 CA ILE A 6 -2.183 -7.755 -1.405 1.00 0.00 C ATOM 102 C ILE A 6 -0.906 -7.044 -0.967 1.00 0.00 C ATOM 103 O ILE A 6 -0.384 -7.340 0.107 1.00 0.00 O ATOM 104 CB ILE A 6 -3.406 -7.129 -0.707 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.693 -7.802 -1.186 1.00 0.00 C ATOM 106 CG2 ILE A 6 -3.456 -5.632 -0.970 1.00 0.00 C ATOM 107 CD1 ILE A 6 -5.189 -8.888 -0.258 1.00 0.00 C ATOM 0 H ILE A 6 -1.486 -9.320 -0.226 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.345 -7.650 -2.478 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.314 -7.287 0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.470 -7.045 -1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.524 -8.229 -2.174 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.325 -5.204 -0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.550 -5.165 -0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.529 -5.453 -2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.105 -9.321 -0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.430 -9.665 -0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.391 -8.462 0.725 1.00 0.00 H new ATOM 119 N ALA A 7 -0.400 -6.100 -1.751 1.00 0.00 N ATOM 120 CA ALA A 7 0.802 -5.379 -1.348 1.00 0.00 C ATOM 121 C ALA A 7 0.541 -3.890 -1.409 1.00 0.00 C ATOM 122 O ALA A 7 0.153 -3.393 -2.453 1.00 0.00 O ATOM 123 CB ALA A 7 1.975 -5.754 -2.242 1.00 0.00 C ATOM 0 H ALA A 7 -0.792 -5.820 -2.650 1.00 0.00 H new ATOM 0 HA ALA A 7 1.058 -5.654 -0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.863 -5.206 -1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.163 -6.825 -2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.740 -5.500 -3.276 1.00 0.00 H new ATOM 129 N VAL A 8 0.749 -3.171 -0.315 1.00 0.00 N ATOM 130 CA VAL A 8 0.504 -1.734 -0.325 1.00 0.00 C ATOM 131 C VAL A 8 1.690 -0.959 0.223 1.00 0.00 C ATOM 132 O VAL A 8 2.469 -1.469 1.022 1.00 0.00 O ATOM 133 CB VAL A 8 -0.770 -1.356 0.475 1.00 0.00 C ATOM 134 CG1 VAL A 8 -1.638 -2.579 0.737 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.410 -0.661 1.785 1.00 0.00 C ATOM 0 H VAL A 8 1.080 -3.548 0.573 1.00 0.00 H new ATOM 0 HA VAL A 8 0.353 -1.460 -1.369 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.345 -0.658 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.524 -2.283 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.942 -3.020 -0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.071 -3.311 1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.322 -0.407 2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.199 -1.328 2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.150 0.249 1.572 1.00 0.00 H new ATOM 145 N GLY A 9 1.819 0.277 -0.226 1.00 0.00 N ATOM 146 CA GLY A 9 2.915 1.098 0.226 1.00 0.00 C ATOM 147 C GLY A 9 2.562 2.564 0.369 1.00 0.00 C ATOM 148 O GLY A 9 1.893 3.144 -0.486 1.00 0.00 O ATOM 0 H GLY A 9 1.188 0.723 -0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.265 0.723 1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.744 1.000 -0.475 1.00 0.00 H new ATOM 152 N ILE A 10 3.056 3.162 1.445 1.00 0.00 N ATOM 153 CA ILE A 10 2.849 4.576 1.714 1.00 0.00 C ATOM 154 C ILE A 10 3.970 5.350 1.028 1.00 0.00 C ATOM 155 O ILE A 10 5.136 5.114 1.324 1.00 0.00 O ATOM 156 CB ILE A 10 2.845 4.830 3.248 1.00 0.00 C ATOM 157 CG1 ILE A 10 1.433 5.183 3.728 1.00 0.00 C ATOM 158 CG2 ILE A 10 3.843 5.908 3.654 1.00 0.00 C ATOM 159 CD1 ILE A 10 0.913 4.252 4.801 1.00 0.00 C ATOM 0 H ILE A 10 3.610 2.681 2.153 1.00 0.00 H new ATOM 0 HA ILE A 10 1.886 4.908 1.327 1.00 0.00 H new ATOM 0 HB ILE A 10 3.160 3.906 3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.432 6.203 4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.752 5.161 2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.805 6.051 4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.848 5.601 3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.591 6.844 3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.091 4.560 5.094 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.882 3.233 4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.573 4.292 5.668 1.00 0.00 H new ATOM 171 N ILE A 11 3.636 6.243 0.091 1.00 0.00 N ATOM 172 CA ILE A 11 4.677 6.976 -0.631 1.00 0.00 C ATOM 173 C ILE A 11 5.115 8.261 0.064 1.00 0.00 C ATOM 174 O ILE A 11 4.368 9.230 0.163 1.00 0.00 O ATOM 175 CB ILE A 11 4.290 7.317 -2.086 1.00 0.00 C ATOM 176 CG1 ILE A 11 3.276 6.318 -2.648 1.00 0.00 C ATOM 177 CG2 ILE A 11 5.540 7.348 -2.960 1.00 0.00 C ATOM 178 CD1 ILE A 11 1.934 6.947 -2.924 1.00 0.00 C ATOM 0 H ILE A 11 2.679 6.471 -0.179 1.00 0.00 H new ATOM 0 HA ILE A 11 5.514 6.278 -0.639 1.00 0.00 H new ATOM 0 HB ILE A 11 3.820 8.301 -2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.668 5.888 -3.570 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.150 5.497 -1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.261 7.589 -3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.228 8.105 -2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.025 6.372 -2.936 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.254 6.194 -3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.525 7.353 -1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.051 7.750 -3.652 1.00 0.00 H new ATOM 190 N ARG A 12 6.348 8.215 0.539 1.00 0.00 N ATOM 191 CA ARG A 12 6.971 9.339 1.242 1.00 0.00 C ATOM 192 C ARG A 12 7.508 10.355 0.236 1.00 0.00 C ATOM 193 O ARG A 12 7.869 9.988 -0.881 1.00 0.00 O ATOM 194 CB ARG A 12 8.104 8.847 2.141 1.00 0.00 C ATOM 195 CG ARG A 12 7.673 8.593 3.575 1.00 0.00 C ATOM 196 CD ARG A 12 7.939 9.800 4.460 1.00 0.00 C ATOM 197 NE ARG A 12 9.318 10.270 4.346 1.00 0.00 N ATOM 198 CZ ARG A 12 10.353 9.674 4.932 1.00 0.00 C ATOM 199 NH1 ARG A 12 10.172 8.586 5.672 1.00 0.00 N ATOM 200 NH2 ARG A 12 11.575 10.165 4.778 1.00 0.00 N ATOM 0 H ARG A 12 6.952 7.398 0.451 1.00 0.00 H new ATOM 0 HA ARG A 12 6.216 9.819 1.864 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.514 7.927 1.725 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.907 9.584 2.136 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.611 8.350 3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.207 7.728 3.968 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.258 10.606 4.188 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.729 9.542 5.498 1.00 0.00 H new ATOM 0 HE ARG A 12 9.497 11.103 3.785 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.235 8.202 5.794 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.970 8.134 6.118 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.721 11.000 4.210 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.369 9.708 5.227 1.00 0.00 H new ATOM 214 N ASN A 13 7.571 11.630 0.636 1.00 0.00 N ATOM 215 CA ASN A 13 8.085 12.681 -0.243 1.00 0.00 C ATOM 216 C ASN A 13 9.092 13.583 0.469 1.00 0.00 C ATOM 217 O ASN A 13 9.486 13.336 1.610 1.00 0.00 O ATOM 218 CB ASN A 13 6.952 13.532 -0.831 1.00 0.00 C ATOM 219 CG ASN A 13 5.906 13.927 0.187 1.00 0.00 C ATOM 220 OD1 ASN A 13 4.743 13.549 0.073 1.00 0.00 O ATOM 221 ND2 ASN A 13 6.310 14.698 1.190 1.00 0.00 N ATOM 0 H ASN A 13 7.274 11.955 1.556 1.00 0.00 H new ATOM 0 HA ASN A 13 8.599 12.172 -1.058 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.377 14.433 -1.273 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.472 12.977 -1.637 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.645 14.998 1.903 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.286 14.990 1.248 1.00 0.00 H new ATOM 228 N GLU A 14 9.484 14.639 -0.234 1.00 0.00 N ATOM 229 CA GLU A 14 10.425 15.629 0.264 1.00 0.00 C ATOM 230 C GLU A 14 10.047 16.113 1.653 1.00 0.00 C ATOM 231 O GLU A 14 10.843 16.075 2.591 1.00 0.00 O ATOM 232 CB GLU A 14 10.438 16.819 -0.696 1.00 0.00 C ATOM 233 CG GLU A 14 11.307 17.979 -0.233 1.00 0.00 C ATOM 234 CD GLU A 14 10.545 19.288 -0.167 1.00 0.00 C ATOM 235 OE1 GLU A 14 9.966 19.586 0.899 1.00 0.00 O ATOM 236 OE2 GLU A 14 10.529 20.018 -1.182 1.00 0.00 O ATOM 0 H GLU A 14 9.151 14.832 -1.179 1.00 0.00 H new ATOM 0 HA GLU A 14 11.410 15.167 0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.789 16.482 -1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.417 17.175 -0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.716 17.751 0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.152 18.089 -0.912 1.00 0.00 H new ATOM 243 N ASN A 15 8.829 16.598 1.744 1.00 0.00 N ATOM 244 CA ASN A 15 8.284 17.147 2.982 1.00 0.00 C ATOM 245 C ASN A 15 8.271 16.131 4.127 1.00 0.00 C ATOM 246 O ASN A 15 8.000 16.494 5.272 1.00 0.00 O ATOM 247 CB ASN A 15 6.868 17.667 2.726 1.00 0.00 C ATOM 248 CG ASN A 15 6.440 18.775 3.681 1.00 0.00 C ATOM 249 OD1 ASN A 15 5.472 19.487 3.413 1.00 0.00 O ATOM 250 ND2 ASN A 15 7.149 18.934 4.798 1.00 0.00 N ATOM 0 H ASN A 15 8.178 16.626 0.959 1.00 0.00 H new ATOM 0 HA ASN A 15 8.937 17.962 3.293 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.806 18.037 1.703 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.166 16.838 2.808 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.895 19.664 5.463 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.945 18.325 4.988 1.00 0.00 H new ATOM 257 N ASN A 16 8.541 14.863 3.821 1.00 0.00 N ATOM 258 CA ASN A 16 8.539 13.803 4.836 1.00 0.00 C ATOM 259 C ASN A 16 7.116 13.324 5.119 1.00 0.00 C ATOM 260 O ASN A 16 6.881 12.526 6.028 1.00 0.00 O ATOM 261 CB ASN A 16 9.212 14.266 6.130 1.00 0.00 C ATOM 262 CG ASN A 16 10.323 13.333 6.569 1.00 0.00 C ATOM 263 OD1 ASN A 16 10.125 12.123 6.680 1.00 0.00 O ATOM 264 ND2 ASN A 16 11.500 13.891 6.823 1.00 0.00 N ATOM 0 H ASN A 16 8.764 14.542 2.879 1.00 0.00 H new ATOM 0 HA ASN A 16 9.115 12.968 4.438 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.618 15.268 5.987 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.465 14.334 6.921 1.00 0.00 H new ATOM 0 HD21 ASN A 16 12.285 13.312 7.123 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.620 14.898 6.718 1.00 0.00 H new ATOM 271 N GLU A 17 6.175 13.792 4.305 1.00 0.00 N ATOM 272 CA GLU A 17 4.781 13.394 4.422 1.00 0.00 C ATOM 273 C GLU A 17 4.457 12.497 3.237 1.00 0.00 C ATOM 274 O GLU A 17 5.074 12.634 2.190 1.00 0.00 O ATOM 275 CB GLU A 17 3.859 14.620 4.445 1.00 0.00 C ATOM 276 CG GLU A 17 4.551 15.916 4.845 1.00 0.00 C ATOM 277 CD GLU A 17 3.756 17.145 4.451 1.00 0.00 C ATOM 278 OE1 GLU A 17 3.842 17.557 3.276 1.00 0.00 O ATOM 279 OE2 GLU A 17 3.045 17.695 5.319 1.00 0.00 O ATOM 0 H GLU A 17 6.358 14.454 3.551 1.00 0.00 H new ATOM 0 HA GLU A 17 4.621 12.859 5.358 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.418 14.747 3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.039 14.431 5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.711 15.921 5.923 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.535 15.958 4.377 1.00 0.00 H new ATOM 286 N ILE A 18 3.584 11.516 3.409 1.00 0.00 N ATOM 287 CA ILE A 18 3.329 10.571 2.342 1.00 0.00 C ATOM 288 C ILE A 18 1.999 10.780 1.606 1.00 0.00 C ATOM 289 O ILE A 18 0.920 10.759 2.196 1.00 0.00 O ATOM 290 CB ILE A 18 3.420 9.129 2.903 1.00 0.00 C ATOM 291 CG1 ILE A 18 2.062 8.420 2.916 1.00 0.00 C ATOM 292 CG2 ILE A 18 4.019 9.126 4.304 1.00 0.00 C ATOM 293 CD1 ILE A 18 1.639 7.890 1.562 1.00 0.00 C ATOM 0 H ILE A 18 3.050 11.358 4.264 1.00 0.00 H new ATOM 0 HA ILE A 18 4.098 10.743 1.589 1.00 0.00 H new ATOM 0 HB ILE A 18 4.076 8.576 2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.101 7.592 3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.303 9.114 3.278 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.072 8.102 4.675 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.022 9.553 4.272 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.393 9.721 4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.669 7.401 1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.567 8.716 0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.377 7.171 1.206 1.00 0.00 H new ATOM 305 N PHE A 19 2.118 10.996 0.298 1.00 0.00 N ATOM 306 CA PHE A 19 0.974 11.216 -0.583 1.00 0.00 C ATOM 307 C PHE A 19 0.046 9.997 -0.613 1.00 0.00 C ATOM 308 O PHE A 19 0.262 9.061 -1.379 1.00 0.00 O ATOM 309 CB PHE A 19 1.491 11.533 -1.999 1.00 0.00 C ATOM 310 CG PHE A 19 0.511 11.299 -3.122 1.00 0.00 C ATOM 311 CD1 PHE A 19 -0.339 12.309 -3.544 1.00 0.00 C ATOM 312 CD2 PHE A 19 0.463 10.076 -3.775 1.00 0.00 C ATOM 313 CE1 PHE A 19 -1.220 12.100 -4.589 1.00 0.00 C ATOM 314 CE2 PHE A 19 -0.414 9.863 -4.823 1.00 0.00 C ATOM 315 CZ PHE A 19 -1.257 10.877 -5.229 1.00 0.00 C ATOM 0 H PHE A 19 3.017 11.023 -0.183 1.00 0.00 H new ATOM 0 HA PHE A 19 0.392 12.055 -0.202 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.804 12.577 -2.026 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.379 10.929 -2.185 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.313 13.270 -3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.120 9.279 -3.460 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.880 12.894 -4.905 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.439 8.906 -5.322 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.945 10.714 -6.046 1.00 0.00 H new ATOM 325 N ILE A 20 -0.996 10.022 0.213 1.00 0.00 N ATOM 326 CA ILE A 20 -1.959 8.930 0.254 1.00 0.00 C ATOM 327 C ILE A 20 -3.295 9.398 -0.303 1.00 0.00 C ATOM 328 O ILE A 20 -3.611 10.587 -0.262 1.00 0.00 O ATOM 329 CB ILE A 20 -2.190 8.384 1.681 1.00 0.00 C ATOM 330 CG1 ILE A 20 -1.516 9.267 2.731 1.00 0.00 C ATOM 331 CG2 ILE A 20 -1.688 6.954 1.789 1.00 0.00 C ATOM 332 CD1 ILE A 20 -1.885 8.903 4.152 1.00 0.00 C ATOM 0 H ILE A 20 -1.193 10.785 0.861 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.540 8.126 -0.351 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.263 8.396 1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.435 9.195 2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.788 10.307 2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.858 6.584 2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.224 6.326 1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.621 6.925 1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.371 9.570 4.844 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.962 9.003 4.285 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.588 7.874 4.353 1.00 0.00 H new ATOM 344 N THR A 21 -4.083 8.464 -0.807 1.00 0.00 N ATOM 345 CA THR A 21 -5.392 8.798 -1.351 1.00 0.00 C ATOM 346 C THR A 21 -6.365 9.059 -0.208 1.00 0.00 C ATOM 347 O THR A 21 -6.706 8.148 0.538 1.00 0.00 O ATOM 348 CB THR A 21 -5.908 7.670 -2.249 1.00 0.00 C ATOM 349 OG1 THR A 21 -6.624 6.708 -1.495 1.00 0.00 O ATOM 350 CG2 THR A 21 -4.807 6.943 -2.996 1.00 0.00 C ATOM 0 H THR A 21 -3.843 7.474 -0.852 1.00 0.00 H new ATOM 0 HA THR A 21 -5.305 9.698 -1.960 1.00 0.00 H new ATOM 0 HB THR A 21 -6.556 8.160 -2.976 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.211 6.612 -0.611 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.243 6.157 -3.613 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.272 7.648 -3.632 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.113 6.500 -2.281 1.00 0.00 H new ATOM 358 N ARG A 22 -6.791 10.311 -0.064 1.00 0.00 N ATOM 359 CA ARG A 22 -7.706 10.684 1.011 1.00 0.00 C ATOM 360 C ARG A 22 -9.006 11.264 0.465 1.00 0.00 C ATOM 361 O ARG A 22 -9.006 12.006 -0.517 1.00 0.00 O ATOM 362 CB ARG A 22 -7.038 11.697 1.943 1.00 0.00 C ATOM 363 CG ARG A 22 -7.709 11.809 3.302 1.00 0.00 C ATOM 364 CD ARG A 22 -8.274 13.202 3.535 1.00 0.00 C ATOM 365 NE ARG A 22 -7.242 14.146 3.961 1.00 0.00 N ATOM 366 CZ ARG A 22 -6.765 14.212 5.202 1.00 0.00 C ATOM 367 NH1 ARG A 22 -7.224 13.394 6.142 1.00 0.00 N ATOM 368 NH2 ARG A 22 -5.826 15.098 5.505 1.00 0.00 N ATOM 0 H ARG A 22 -6.519 11.081 -0.675 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.948 9.779 1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.995 11.415 2.085 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.041 12.676 1.464 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.511 11.074 3.374 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.988 11.573 4.085 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.739 13.563 2.618 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.057 13.154 4.292 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.866 14.792 3.267 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.946 12.710 5.915 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.855 13.449 7.091 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.469 15.729 4.787 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.460 15.149 6.456 1.00 0.00 H new ATOM 382 N ARG A 23 -10.113 10.916 1.115 1.00 0.00 N ATOM 383 CA ARG A 23 -11.428 11.396 0.707 1.00 0.00 C ATOM 384 C ARG A 23 -11.759 10.965 -0.720 1.00 0.00 C ATOM 385 O ARG A 23 -12.714 11.463 -1.316 1.00 0.00 O ATOM 386 CB ARG A 23 -11.494 12.920 0.820 1.00 0.00 C ATOM 387 CG ARG A 23 -11.753 13.414 2.234 1.00 0.00 C ATOM 388 CD ARG A 23 -12.386 14.797 2.236 1.00 0.00 C ATOM 389 NE ARG A 23 -13.509 14.884 3.167 1.00 0.00 N ATOM 390 CZ ARG A 23 -13.387 14.762 4.488 1.00 0.00 C ATOM 391 NH1 ARG A 23 -12.197 14.553 5.036 1.00 0.00 N ATOM 392 NH2 ARG A 23 -14.460 14.852 5.262 1.00 0.00 N ATOM 0 H ARG A 23 -10.124 10.301 1.929 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.167 10.953 1.375 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -10.556 13.344 0.462 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.282 13.291 0.164 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.408 12.713 2.751 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.815 13.442 2.788 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.634 15.539 2.504 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.729 15.040 1.230 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.440 15.048 2.783 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.368 14.485 4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.111 14.461 6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.377 15.014 4.846 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.368 14.759 6.274 1.00 0.00 H new ATOM 406 N ALA A 24 -10.973 10.034 -1.260 1.00 0.00 N ATOM 407 CA ALA A 24 -11.184 9.533 -2.613 1.00 0.00 C ATOM 408 C ALA A 24 -11.004 10.633 -3.654 1.00 0.00 C ATOM 409 O ALA A 24 -10.077 10.590 -4.461 1.00 0.00 O ATOM 410 CB ALA A 24 -12.565 8.909 -2.738 1.00 0.00 C ATOM 0 H ALA A 24 -10.181 9.611 -0.776 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.430 8.769 -2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.707 8.540 -3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.655 8.081 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.324 9.658 -2.515 1.00 0.00 H new ATOM 416 N ALA A 25 -11.902 11.613 -3.638 1.00 0.00 N ATOM 417 CA ALA A 25 -11.852 12.722 -4.586 1.00 0.00 C ATOM 418 C ALA A 25 -12.325 12.274 -5.964 1.00 0.00 C ATOM 419 O ALA A 25 -11.889 12.805 -6.986 1.00 0.00 O ATOM 420 CB ALA A 25 -10.444 13.301 -4.663 1.00 0.00 C ATOM 0 H ALA A 25 -12.677 11.662 -2.976 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.524 13.504 -4.232 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.428 14.126 -5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.146 13.664 -3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.750 12.527 -4.990 1.00 0.00 H new ATOM 426 N ASP A 26 -13.222 11.293 -5.982 1.00 0.00 N ATOM 427 CA ASP A 26 -13.760 10.769 -7.231 1.00 0.00 C ATOM 428 C ASP A 26 -15.285 10.737 -7.194 1.00 0.00 C ATOM 429 O ASP A 26 -15.947 11.551 -7.839 1.00 0.00 O ATOM 430 CB ASP A 26 -13.212 9.369 -7.497 1.00 0.00 C ATOM 431 CG ASP A 26 -12.405 9.296 -8.778 1.00 0.00 C ATOM 432 OD1 ASP A 26 -12.650 10.124 -9.682 1.00 0.00 O ATOM 433 OD2 ASP A 26 -11.529 8.412 -8.879 1.00 0.00 O ATOM 0 H ASP A 26 -13.592 10.845 -5.144 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.450 11.431 -8.040 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.586 9.062 -6.659 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -14.040 8.662 -7.552 1.00 0.00 H new ATOM 438 N ALA A 27 -15.837 9.795 -6.434 1.00 0.00 N ATOM 439 CA ALA A 27 -17.285 9.662 -6.315 1.00 0.00 C ATOM 440 C ALA A 27 -17.669 8.518 -5.379 1.00 0.00 C ATOM 441 O ALA A 27 -18.658 7.822 -5.612 1.00 0.00 O ATOM 442 CB ALA A 27 -17.911 9.453 -7.686 1.00 0.00 C ATOM 0 H ALA A 27 -15.304 9.114 -5.893 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.668 10.587 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.992 9.355 -7.582 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.684 10.307 -8.324 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.507 8.546 -8.136 1.00 0.00 H new ATOM 448 N HIS A 28 -16.891 8.329 -4.316 1.00 0.00 N ATOM 449 CA HIS A 28 -17.170 7.269 -3.349 1.00 0.00 C ATOM 450 C HIS A 28 -16.983 7.767 -1.918 1.00 0.00 C ATOM 451 O HIS A 28 -16.712 8.946 -1.688 1.00 0.00 O ATOM 452 CB HIS A 28 -16.283 6.043 -3.600 1.00 0.00 C ATOM 453 CG HIS A 28 -14.972 6.349 -4.258 1.00 0.00 C ATOM 454 ND1 HIS A 28 -13.756 6.154 -3.639 1.00 0.00 N ATOM 455 CD2 HIS A 28 -14.690 6.824 -5.495 1.00 0.00 C ATOM 456 CE1 HIS A 28 -12.784 6.496 -4.465 1.00 0.00 C ATOM 457 NE2 HIS A 28 -13.323 6.905 -5.597 1.00 0.00 N ATOM 0 H HIS A 28 -16.067 8.892 -4.103 1.00 0.00 H new ATOM 0 HA HIS A 28 -18.211 6.975 -3.480 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -16.091 5.548 -2.648 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -16.831 5.335 -4.222 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -13.627 5.801 -2.691 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -15.406 7.089 -6.258 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.727 6.449 -4.250 1.00 0.00 H new ATOM 466 N MET A 29 -17.139 6.857 -0.959 1.00 0.00 N ATOM 467 CA MET A 29 -17.001 7.193 0.456 1.00 0.00 C ATOM 468 C MET A 29 -15.668 7.878 0.744 1.00 0.00 C ATOM 469 O MET A 29 -14.696 7.705 0.009 1.00 0.00 O ATOM 470 CB MET A 29 -17.131 5.931 1.311 1.00 0.00 C ATOM 471 CG MET A 29 -18.569 5.513 1.565 1.00 0.00 C ATOM 472 SD MET A 29 -19.274 4.583 0.189 1.00 0.00 S ATOM 473 CE MET A 29 -19.461 2.965 0.935 1.00 0.00 C ATOM 0 H MET A 29 -17.362 5.878 -1.137 1.00 0.00 H new ATOM 0 HA MET A 29 -17.799 7.890 0.710 1.00 0.00 H new ATOM 0 HB2 MET A 29 -16.605 5.113 0.818 1.00 0.00 H new ATOM 0 HB3 MET A 29 -16.636 6.098 2.268 1.00 0.00 H new ATOM 0 HG2 MET A 29 -18.613 4.906 2.469 1.00 0.00 H new ATOM 0 HG3 MET A 29 -19.175 6.401 1.747 1.00 0.00 H new ATOM 0 HE1 MET A 29 -19.887 2.275 0.206 1.00 0.00 H new ATOM 0 HE2 MET A 29 -18.486 2.597 1.256 1.00 0.00 H new ATOM 0 HE3 MET A 29 -20.124 3.036 1.798 1.00 0.00 H new ATOM 483 N ALA A 30 -15.634 8.653 1.824 1.00 0.00 N ATOM 484 CA ALA A 30 -14.427 9.368 2.225 1.00 0.00 C ATOM 485 C ALA A 30 -13.531 8.502 3.110 1.00 0.00 C ATOM 486 O ALA A 30 -12.400 8.878 3.415 1.00 0.00 O ATOM 487 CB ALA A 30 -14.793 10.657 2.946 1.00 0.00 C ATOM 0 H ALA A 30 -16.433 8.802 2.440 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.868 9.611 1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.883 11.181 3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -15.379 11.292 2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -15.380 10.423 3.834 1.00 0.00 H new ATOM 493 N ASN A 31 -14.043 7.344 3.523 1.00 0.00 N ATOM 494 CA ASN A 31 -13.288 6.429 4.375 1.00 0.00 C ATOM 495 C ASN A 31 -12.392 5.508 3.544 1.00 0.00 C ATOM 496 O ASN A 31 -12.147 4.362 3.921 1.00 0.00 O ATOM 497 CB ASN A 31 -14.250 5.595 5.227 1.00 0.00 C ATOM 498 CG ASN A 31 -14.198 5.967 6.697 1.00 0.00 C ATOM 499 OD1 ASN A 31 -14.279 5.103 7.570 1.00 0.00 O ATOM 500 ND2 ASN A 31 -14.068 7.258 6.979 1.00 0.00 N ATOM 0 H ASN A 31 -14.978 7.018 3.281 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.648 7.023 5.027 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.267 5.729 4.858 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.007 4.538 5.114 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.032 7.567 7.950 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.004 7.941 6.224 1.00 0.00 H new ATOM 507 N LYS A 32 -11.915 6.011 2.408 1.00 0.00 N ATOM 508 CA LYS A 32 -11.060 5.229 1.521 1.00 0.00 C ATOM 509 C LYS A 32 -9.619 5.715 1.554 1.00 0.00 C ATOM 510 O LYS A 32 -8.885 5.562 0.579 1.00 0.00 O ATOM 511 CB LYS A 32 -11.595 5.270 0.090 1.00 0.00 C ATOM 512 CG LYS A 32 -11.665 3.903 -0.573 1.00 0.00 C ATOM 513 CD LYS A 32 -12.957 3.729 -1.357 1.00 0.00 C ATOM 514 CE LYS A 32 -13.430 2.286 -1.337 1.00 0.00 C ATOM 515 NZ LYS A 32 -14.452 2.051 -0.280 1.00 0.00 N ATOM 0 H LYS A 32 -12.107 6.958 2.080 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.073 4.200 1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.591 5.713 0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.959 5.923 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.813 3.778 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.592 3.125 0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.729 4.372 -0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.804 4.049 -2.388 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.848 2.028 -2.310 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.578 1.627 -1.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.749 1.054 -0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.046 2.273 0.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.276 2.661 -0.452 1.00 0.00 H new ATOM 529 N LEU A 33 -9.230 6.306 2.673 1.00 0.00 N ATOM 530 CA LEU A 33 -7.874 6.826 2.847 1.00 0.00 C ATOM 531 C LEU A 33 -6.836 5.710 2.694 1.00 0.00 C ATOM 532 O LEU A 33 -6.159 5.344 3.651 1.00 0.00 O ATOM 533 CB LEU A 33 -7.741 7.477 4.226 1.00 0.00 C ATOM 534 CG LEU A 33 -6.668 8.563 4.343 1.00 0.00 C ATOM 535 CD1 LEU A 33 -6.431 8.921 5.802 1.00 0.00 C ATOM 536 CD2 LEU A 33 -5.369 8.113 3.688 1.00 0.00 C ATOM 0 H LEU A 33 -9.836 6.440 3.482 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.690 7.572 2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.703 7.911 4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.525 6.698 4.957 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.024 9.451 3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.666 9.694 5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.358 9.290 6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.100 8.036 6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.622 8.901 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.008 7.209 4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.546 7.907 2.632 1.00 0.00 H new ATOM 548 N GLU A 34 -6.717 5.170 1.486 1.00 0.00 N ATOM 549 CA GLU A 34 -5.775 4.088 1.220 1.00 0.00 C ATOM 550 C GLU A 34 -4.691 4.513 0.241 1.00 0.00 C ATOM 551 O GLU A 34 -4.769 5.579 -0.368 1.00 0.00 O ATOM 552 CB GLU A 34 -6.514 2.866 0.672 1.00 0.00 C ATOM 553 CG GLU A 34 -5.930 1.542 1.136 1.00 0.00 C ATOM 554 CD GLU A 34 -5.609 0.610 -0.016 1.00 0.00 C ATOM 555 OE1 GLU A 34 -5.312 1.112 -1.121 1.00 0.00 O ATOM 556 OE2 GLU A 34 -5.652 -0.622 0.187 1.00 0.00 O ATOM 0 H GLU A 34 -7.261 5.464 0.675 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.295 3.832 2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.560 2.918 0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.496 2.899 -0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.022 1.731 1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.636 1.053 1.808 1.00 0.00 H new ATOM 563 N PHE A 35 -3.672 3.673 0.109 1.00 0.00 N ATOM 564 CA PHE A 35 -2.554 3.954 -0.782 1.00 0.00 C ATOM 565 C PHE A 35 -2.402 2.876 -1.861 1.00 0.00 C ATOM 566 O PHE A 35 -2.979 1.793 -1.762 1.00 0.00 O ATOM 567 CB PHE A 35 -1.248 4.081 0.023 1.00 0.00 C ATOM 568 CG PHE A 35 -1.318 3.529 1.425 1.00 0.00 C ATOM 569 CD1 PHE A 35 -2.223 4.036 2.348 1.00 0.00 C ATOM 570 CD2 PHE A 35 -0.475 2.505 1.818 1.00 0.00 C ATOM 571 CE1 PHE A 35 -2.282 3.530 3.633 1.00 0.00 C ATOM 572 CE2 PHE A 35 -0.530 1.994 3.101 1.00 0.00 C ATOM 573 CZ PHE A 35 -1.434 2.507 4.009 1.00 0.00 C ATOM 0 H PHE A 35 -3.597 2.788 0.610 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.763 4.900 -1.282 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.453 3.567 -0.517 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.969 5.134 0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.889 4.835 2.058 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.236 2.099 1.113 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.990 3.934 4.342 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.134 1.194 3.393 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.478 2.109 5.012 1.00 0.00 H new ATOM 583 N PRO A 36 -1.592 3.165 -2.899 1.00 0.00 N ATOM 584 CA PRO A 36 -1.310 2.238 -4.008 1.00 0.00 C ATOM 585 C PRO A 36 -0.950 0.837 -3.516 1.00 0.00 C ATOM 586 O PRO A 36 -0.737 0.629 -2.322 1.00 0.00 O ATOM 587 CB PRO A 36 -0.116 2.880 -4.734 1.00 0.00 C ATOM 588 CG PRO A 36 0.355 3.979 -3.841 1.00 0.00 C ATOM 589 CD PRO A 36 -0.851 4.421 -3.070 1.00 0.00 C ATOM 0 HA PRO A 36 -2.181 2.100 -4.648 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.675 2.150 -4.908 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.412 3.267 -5.709 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.141 3.630 -3.172 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.772 4.802 -4.420 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.581 4.867 -2.113 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.432 5.165 -3.615 1.00 0.00 H new ATOM 597 N GLY A 37 -0.891 -0.130 -4.437 1.00 0.00 N ATOM 598 CA GLY A 37 -0.567 -1.491 -4.045 1.00 0.00 C ATOM 599 C GLY A 37 -1.760 -2.427 -3.994 1.00 0.00 C ATOM 600 O GLY A 37 -2.090 -2.999 -2.957 1.00 0.00 O ATOM 0 H GLY A 37 -1.060 0.005 -5.434 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.166 -1.893 -4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.094 -1.471 -3.063 1.00 0.00 H new ATOM 604 N GLY A 38 -2.387 -2.574 -5.140 1.00 0.00 N ATOM 605 CA GLY A 38 -3.540 -3.443 -5.284 1.00 0.00 C ATOM 606 C GLY A 38 -3.449 -4.316 -6.531 1.00 0.00 C ATOM 607 O GLY A 38 -3.308 -3.790 -7.636 1.00 0.00 O ATOM 0 H GLY A 38 -2.115 -2.096 -5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.627 -4.079 -4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.446 -2.838 -5.331 1.00 0.00 H new ATOM 611 N LYS A 39 -3.531 -5.649 -6.353 1.00 0.00 N ATOM 612 CA LYS A 39 -3.466 -6.610 -7.465 1.00 0.00 C ATOM 613 C LYS A 39 -2.063 -7.188 -7.646 1.00 0.00 C ATOM 614 O LYS A 39 -1.707 -7.640 -8.734 1.00 0.00 O ATOM 615 CB LYS A 39 -3.939 -5.995 -8.786 1.00 0.00 C ATOM 616 CG LYS A 39 -4.040 -7.006 -9.912 1.00 0.00 C ATOM 617 CD LYS A 39 -5.263 -6.759 -10.782 1.00 0.00 C ATOM 618 CE LYS A 39 -6.389 -7.720 -10.444 1.00 0.00 C ATOM 619 NZ LYS A 39 -7.299 -7.166 -9.403 1.00 0.00 N ATOM 0 H LYS A 39 -3.644 -6.086 -5.438 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.143 -7.421 -7.196 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.913 -5.530 -8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.250 -5.203 -9.078 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.141 -6.958 -10.526 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.087 -8.012 -9.495 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.606 -5.733 -10.647 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.992 -6.869 -11.832 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.961 -7.941 -11.345 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.969 -8.663 -10.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.054 -7.852 -9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.759 -6.979 -8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.720 -6.279 -9.746 1.00 0.00 H new ATOM 633 N ILE A 40 -1.276 -7.198 -6.578 1.00 0.00 N ATOM 634 CA ILE A 40 0.073 -7.756 -6.643 1.00 0.00 C ATOM 635 C ILE A 40 0.004 -9.271 -6.627 1.00 0.00 C ATOM 636 O ILE A 40 0.821 -9.964 -7.232 1.00 0.00 O ATOM 637 CB ILE A 40 0.982 -7.247 -5.497 1.00 0.00 C ATOM 638 CG1 ILE A 40 1.004 -8.214 -4.297 1.00 0.00 C ATOM 639 CG2 ILE A 40 0.535 -5.862 -5.062 1.00 0.00 C ATOM 640 CD1 ILE A 40 2.391 -8.454 -3.741 1.00 0.00 C ATOM 0 H ILE A 40 -1.542 -6.831 -5.664 1.00 0.00 H new ATOM 0 HA ILE A 40 0.521 -7.417 -7.577 1.00 0.00 H new ATOM 0 HB ILE A 40 2.001 -7.195 -5.879 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.368 -7.814 -3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.573 -9.168 -4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.178 -5.509 -4.256 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.602 -5.176 -5.906 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.496 -5.906 -4.711 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.331 -9.144 -2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.025 -8.883 -4.517 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.817 -7.508 -3.406 1.00 0.00 H new ATOM 652 N GLU A 41 -0.993 -9.761 -5.912 1.00 0.00 N ATOM 653 CA GLU A 41 -1.232 -11.187 -5.763 1.00 0.00 C ATOM 654 C GLU A 41 -1.093 -11.918 -7.097 1.00 0.00 C ATOM 655 O GLU A 41 -0.013 -12.402 -7.431 1.00 0.00 O ATOM 656 CB GLU A 41 -2.624 -11.415 -5.164 1.00 0.00 C ATOM 657 CG GLU A 41 -3.673 -10.398 -5.623 1.00 0.00 C ATOM 658 CD GLU A 41 -4.928 -11.053 -6.169 1.00 0.00 C ATOM 659 OE1 GLU A 41 -5.166 -12.236 -5.850 1.00 0.00 O ATOM 660 OE2 GLU A 41 -5.671 -10.381 -6.915 1.00 0.00 O ATOM 0 H GLU A 41 -1.665 -9.177 -5.414 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.479 -11.595 -5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.963 -12.416 -5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.551 -11.381 -4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.940 -9.755 -4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.240 -9.757 -6.391 1.00 0.00 H new ATOM 667 N MET A 42 -2.186 -11.991 -7.853 1.00 0.00 N ATOM 668 CA MET A 42 -2.190 -12.662 -9.153 1.00 0.00 C ATOM 669 C MET A 42 -1.546 -14.050 -9.069 1.00 0.00 C ATOM 670 O MET A 42 -2.242 -15.057 -8.940 1.00 0.00 O ATOM 671 CB MET A 42 -1.476 -11.799 -10.201 1.00 0.00 C ATOM 672 CG MET A 42 -2.312 -11.545 -11.442 1.00 0.00 C ATOM 673 SD MET A 42 -1.307 -11.248 -12.908 1.00 0.00 S ATOM 674 CE MET A 42 -1.323 -9.459 -12.972 1.00 0.00 C ATOM 0 H MET A 42 -3.086 -11.591 -7.587 1.00 0.00 H new ATOM 0 HA MET A 42 -3.228 -12.797 -9.457 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.206 -10.843 -9.752 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.546 -12.288 -10.492 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.962 -12.402 -11.619 1.00 0.00 H new ATOM 0 HG3 MET A 42 -2.959 -10.685 -11.270 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.100 -9.129 -13.987 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.307 -9.093 -12.680 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.571 -9.064 -12.289 1.00 0.00 H new ATOM 684 N GLY A 43 -0.217 -14.098 -9.142 1.00 0.00 N ATOM 685 CA GLY A 43 0.485 -15.366 -9.072 1.00 0.00 C ATOM 686 C GLY A 43 1.991 -15.204 -9.084 1.00 0.00 C ATOM 687 O GLY A 43 2.716 -16.079 -9.556 1.00 0.00 O ATOM 0 H GLY A 43 0.384 -13.281 -9.248 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.188 -15.891 -8.164 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.184 -15.990 -9.914 1.00 0.00 H new ATOM 691 N GLU A 44 2.453 -14.080 -8.569 1.00 0.00 N ATOM 692 CA GLU A 44 3.881 -13.785 -8.516 1.00 0.00 C ATOM 693 C GLU A 44 4.471 -14.200 -7.169 1.00 0.00 C ATOM 694 O GLU A 44 3.849 -14.952 -6.420 1.00 0.00 O ATOM 695 CB GLU A 44 4.105 -12.292 -8.768 1.00 0.00 C ATOM 696 CG GLU A 44 4.575 -11.980 -10.178 1.00 0.00 C ATOM 697 CD GLU A 44 3.428 -11.664 -11.119 1.00 0.00 C ATOM 698 OE1 GLU A 44 2.372 -11.208 -10.633 1.00 0.00 O ATOM 699 OE2 GLU A 44 3.587 -11.871 -12.340 1.00 0.00 O ATOM 0 H GLU A 44 1.859 -13.349 -8.178 1.00 0.00 H new ATOM 0 HA GLU A 44 4.390 -14.357 -9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.176 -11.756 -8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.841 -11.918 -8.057 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.260 -11.133 -10.149 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.135 -12.830 -10.567 1.00 0.00 H new ATOM 706 N THR A 45 5.668 -13.701 -6.854 1.00 0.00 N ATOM 707 CA THR A 45 6.312 -14.018 -5.591 1.00 0.00 C ATOM 708 C THR A 45 6.079 -12.883 -4.606 1.00 0.00 C ATOM 709 O THR A 45 5.760 -11.766 -5.009 1.00 0.00 O ATOM 710 CB THR A 45 7.816 -14.239 -5.800 1.00 0.00 C ATOM 711 OG1 THR A 45 8.152 -14.149 -7.173 1.00 0.00 O ATOM 712 CG2 THR A 45 8.300 -15.582 -5.298 1.00 0.00 C ATOM 0 H THR A 45 6.204 -13.078 -7.458 1.00 0.00 H new ATOM 0 HA THR A 45 5.883 -14.936 -5.190 1.00 0.00 H new ATOM 0 HB THR A 45 8.304 -13.455 -5.222 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.537 -14.704 -7.697 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.371 -15.673 -5.477 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.102 -15.664 -4.229 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.775 -16.378 -5.826 1.00 0.00 H new ATOM 720 N PRO A 46 6.238 -13.139 -3.299 1.00 0.00 N ATOM 721 CA PRO A 46 6.043 -12.121 -2.271 1.00 0.00 C ATOM 722 C PRO A 46 6.681 -10.789 -2.656 1.00 0.00 C ATOM 723 O PRO A 46 6.222 -9.728 -2.233 1.00 0.00 O ATOM 724 CB PRO A 46 6.733 -12.719 -1.031 1.00 0.00 C ATOM 725 CG PRO A 46 7.379 -13.987 -1.491 1.00 0.00 C ATOM 726 CD PRO A 46 6.620 -14.422 -2.707 1.00 0.00 C ATOM 0 HA PRO A 46 4.988 -11.896 -2.112 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.473 -12.029 -0.625 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.011 -12.914 -0.238 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.431 -13.826 -1.725 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.339 -14.749 -0.713 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.236 -15.016 -3.382 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.751 -15.029 -2.451 1.00 0.00 H new ATOM 734 N GLU A 47 7.746 -10.850 -3.451 1.00 0.00 N ATOM 735 CA GLU A 47 8.448 -9.646 -3.879 1.00 0.00 C ATOM 736 C GLU A 47 8.142 -9.274 -5.333 1.00 0.00 C ATOM 737 O GLU A 47 7.853 -8.116 -5.628 1.00 0.00 O ATOM 738 CB GLU A 47 9.957 -9.829 -3.700 1.00 0.00 C ATOM 739 CG GLU A 47 10.448 -9.502 -2.299 1.00 0.00 C ATOM 740 CD GLU A 47 11.264 -8.225 -2.249 1.00 0.00 C ATOM 741 OE1 GLU A 47 12.324 -8.172 -2.907 1.00 0.00 O ATOM 742 OE2 GLU A 47 10.842 -7.278 -1.552 1.00 0.00 O ATOM 0 H GLU A 47 8.140 -11.719 -3.811 1.00 0.00 H new ATOM 0 HA GLU A 47 8.093 -8.828 -3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.220 -10.860 -3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.479 -9.194 -4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.592 -9.408 -1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.052 -10.330 -1.928 1.00 0.00 H new ATOM 749 N GLN A 48 8.232 -10.246 -6.244 1.00 0.00 N ATOM 750 CA GLN A 48 7.996 -9.988 -7.661 1.00 0.00 C ATOM 751 C GLN A 48 6.518 -9.726 -7.962 1.00 0.00 C ATOM 752 O GLN A 48 6.162 -9.399 -9.093 1.00 0.00 O ATOM 753 CB GLN A 48 8.542 -11.152 -8.503 1.00 0.00 C ATOM 754 CG GLN A 48 7.513 -11.818 -9.401 1.00 0.00 C ATOM 755 CD GLN A 48 8.031 -13.092 -10.040 1.00 0.00 C ATOM 756 OE1 GLN A 48 7.697 -14.196 -9.611 1.00 0.00 O ATOM 757 NE2 GLN A 48 8.852 -12.945 -11.074 1.00 0.00 N ATOM 0 H GLN A 48 8.466 -11.214 -6.024 1.00 0.00 H new ATOM 0 HA GLN A 48 8.531 -9.078 -7.931 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.361 -10.784 -9.121 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.961 -11.903 -7.833 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.621 -12.046 -8.818 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.213 -11.120 -10.183 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.103 -12.011 -11.397 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.231 -13.766 -11.545 1.00 0.00 H new ATOM 766 N ALA A 49 5.665 -9.851 -6.951 1.00 0.00 N ATOM 767 CA ALA A 49 4.242 -9.603 -7.134 1.00 0.00 C ATOM 768 C ALA A 49 3.950 -8.111 -7.078 1.00 0.00 C ATOM 769 O ALA A 49 3.229 -7.575 -7.920 1.00 0.00 O ATOM 770 CB ALA A 49 3.432 -10.345 -6.081 1.00 0.00 C ATOM 0 H ALA A 49 5.932 -10.120 -6.004 1.00 0.00 H new ATOM 0 HA ALA A 49 3.951 -9.974 -8.117 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.371 -10.148 -6.233 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.618 -11.416 -6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.726 -10.003 -5.088 1.00 0.00 H new ATOM 776 N VAL A 50 4.528 -7.442 -6.087 1.00 0.00 N ATOM 777 CA VAL A 50 4.340 -6.007 -5.931 1.00 0.00 C ATOM 778 C VAL A 50 5.222 -5.223 -6.895 1.00 0.00 C ATOM 779 O VAL A 50 4.848 -4.149 -7.342 1.00 0.00 O ATOM 780 CB VAL A 50 4.630 -5.529 -4.497 1.00 0.00 C ATOM 781 CG1 VAL A 50 5.943 -6.102 -3.988 1.00 0.00 C ATOM 782 CG2 VAL A 50 4.646 -4.006 -4.447 1.00 0.00 C ATOM 0 H VAL A 50 5.129 -7.870 -5.382 1.00 0.00 H new ATOM 0 HA VAL A 50 3.290 -5.819 -6.156 1.00 0.00 H new ATOM 0 HB VAL A 50 3.836 -5.890 -3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.125 -5.749 -2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.890 -7.191 -3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.757 -5.778 -4.636 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.852 -3.678 -3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.421 -3.628 -5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.676 -3.621 -4.763 1.00 0.00 H new ATOM 792 N VAL A 51 6.399 -5.751 -7.201 1.00 0.00 N ATOM 793 CA VAL A 51 7.319 -5.066 -8.101 1.00 0.00 C ATOM 794 C VAL A 51 6.629 -4.678 -9.404 1.00 0.00 C ATOM 795 O VAL A 51 6.915 -3.626 -9.976 1.00 0.00 O ATOM 796 CB VAL A 51 8.560 -5.928 -8.410 1.00 0.00 C ATOM 797 CG1 VAL A 51 9.549 -5.161 -9.278 1.00 0.00 C ATOM 798 CG2 VAL A 51 9.225 -6.387 -7.120 1.00 0.00 C ATOM 0 H VAL A 51 6.738 -6.644 -6.843 1.00 0.00 H new ATOM 0 HA VAL A 51 7.645 -4.161 -7.589 1.00 0.00 H new ATOM 0 HB VAL A 51 8.234 -6.809 -8.963 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.416 -5.789 -9.483 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.071 -4.885 -10.218 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.869 -4.260 -8.755 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.099 -6.994 -7.357 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.534 -5.517 -6.540 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.519 -6.979 -6.537 1.00 0.00 H new ATOM 808 N ARG A 52 5.722 -5.529 -9.874 1.00 0.00 N ATOM 809 CA ARG A 52 5.002 -5.263 -11.115 1.00 0.00 C ATOM 810 C ARG A 52 3.870 -4.257 -10.909 1.00 0.00 C ATOM 811 O ARG A 52 3.577 -3.447 -11.788 1.00 0.00 O ATOM 812 CB ARG A 52 4.451 -6.567 -11.697 1.00 0.00 C ATOM 813 CG ARG A 52 5.363 -7.203 -12.733 1.00 0.00 C ATOM 814 CD ARG A 52 4.738 -8.451 -13.339 1.00 0.00 C ATOM 815 NE ARG A 52 3.501 -8.152 -14.057 1.00 0.00 N ATOM 816 CZ ARG A 52 2.300 -8.105 -13.485 1.00 0.00 C ATOM 817 NH1 ARG A 52 2.162 -8.342 -12.186 1.00 0.00 N ATOM 818 NH2 ARG A 52 1.230 -7.822 -14.216 1.00 0.00 N ATOM 0 H ARG A 52 5.469 -6.405 -9.417 1.00 0.00 H new ATOM 0 HA ARG A 52 5.709 -4.825 -11.820 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.286 -7.276 -10.886 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.480 -6.371 -12.151 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.576 -6.482 -13.522 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.316 -7.460 -12.271 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.449 -8.918 -14.021 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.533 -9.173 -12.549 1.00 0.00 H new ATOM 0 HE ARG A 52 3.562 -7.968 -15.058 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.980 -8.562 -11.618 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.238 -8.304 -11.756 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.328 -7.641 -15.215 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.309 -7.786 -13.779 1.00 0.00 H new ATOM 832 N GLU A 53 3.264 -4.298 -9.732 1.00 0.00 N ATOM 833 CA GLU A 53 2.192 -3.367 -9.395 1.00 0.00 C ATOM 834 C GLU A 53 2.790 -2.022 -8.998 1.00 0.00 C ATOM 835 O GLU A 53 2.218 -0.970 -9.243 1.00 0.00 O ATOM 836 CB GLU A 53 1.334 -3.927 -8.259 1.00 0.00 C ATOM 837 CG GLU A 53 0.658 -5.246 -8.603 1.00 0.00 C ATOM 838 CD GLU A 53 -0.034 -5.218 -9.952 1.00 0.00 C ATOM 839 OE1 GLU A 53 0.636 -5.496 -10.969 1.00 0.00 O ATOM 840 OE2 GLU A 53 -1.246 -4.919 -9.993 1.00 0.00 O ATOM 0 H GLU A 53 3.494 -4.964 -8.994 1.00 0.00 H new ATOM 0 HA GLU A 53 1.553 -3.229 -10.267 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.959 -4.067 -7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.571 -3.195 -7.995 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.402 -6.042 -8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.072 -5.487 -7.830 1.00 0.00 H new ATOM 847 N LEU A 54 3.927 -2.104 -8.325 1.00 0.00 N ATOM 848 CA LEU A 54 4.600 -0.918 -7.817 1.00 0.00 C ATOM 849 C LEU A 54 4.669 0.120 -8.926 1.00 0.00 C ATOM 850 O LEU A 54 4.318 1.283 -8.727 1.00 0.00 O ATOM 851 CB LEU A 54 6.002 -1.270 -7.335 1.00 0.00 C ATOM 852 CG LEU A 54 6.823 -0.074 -6.886 1.00 0.00 C ATOM 853 CD1 LEU A 54 6.512 0.272 -5.443 1.00 0.00 C ATOM 854 CD2 LEU A 54 8.307 -0.338 -7.075 1.00 0.00 C ATOM 0 H LEU A 54 4.404 -2.981 -8.117 1.00 0.00 H new ATOM 0 HA LEU A 54 4.042 -0.515 -6.972 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.923 -1.974 -6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.533 -1.780 -8.138 1.00 0.00 H new ATOM 0 HG LEU A 54 6.553 0.781 -7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.109 1.131 -5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.453 0.513 -5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.749 -0.580 -4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.876 0.532 -6.747 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.600 -1.207 -6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.511 -0.529 -8.129 1.00 0.00 H new ATOM 866 N GLN A 55 5.103 -0.310 -10.098 1.00 0.00 N ATOM 867 CA GLN A 55 5.195 0.587 -11.249 1.00 0.00 C ATOM 868 C GLN A 55 3.804 0.850 -11.825 1.00 0.00 C ATOM 869 O GLN A 55 3.552 1.895 -12.425 1.00 0.00 O ATOM 870 CB GLN A 55 6.108 -0.015 -12.322 1.00 0.00 C ATOM 871 CG GLN A 55 7.388 0.774 -12.542 1.00 0.00 C ATOM 872 CD GLN A 55 7.617 1.123 -14.001 1.00 0.00 C ATOM 873 OE1 GLN A 55 7.298 0.340 -14.896 1.00 0.00 O ATOM 874 NE2 GLN A 55 8.173 2.303 -14.246 1.00 0.00 N ATOM 0 H GLN A 55 5.397 -1.269 -10.283 1.00 0.00 H new ATOM 0 HA GLN A 55 5.623 1.534 -10.920 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.364 -1.036 -12.039 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.560 -0.073 -13.263 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.350 1.692 -11.955 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.235 0.195 -12.174 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.421 2.920 -13.473 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.352 2.593 -15.207 1.00 0.00 H new ATOM 883 N GLU A 56 2.909 -0.111 -11.627 1.00 0.00 N ATOM 884 CA GLU A 56 1.537 -0.006 -12.110 1.00 0.00 C ATOM 885 C GLU A 56 0.717 0.933 -11.234 1.00 0.00 C ATOM 886 O GLU A 56 -0.283 1.489 -11.677 1.00 0.00 O ATOM 887 CB GLU A 56 0.876 -1.383 -12.120 1.00 0.00 C ATOM 888 CG GLU A 56 -0.179 -1.550 -13.202 1.00 0.00 C ATOM 889 CD GLU A 56 -1.231 -2.582 -12.837 1.00 0.00 C ATOM 890 OE1 GLU A 56 -1.764 -2.517 -11.708 1.00 0.00 O ATOM 891 OE2 GLU A 56 -1.523 -3.455 -13.682 1.00 0.00 O ATOM 0 H GLU A 56 3.112 -0.979 -11.131 1.00 0.00 H new ATOM 0 HA GLU A 56 1.571 0.396 -13.123 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.645 -2.144 -12.255 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.417 -1.562 -11.148 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.664 -0.591 -13.383 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.305 -1.843 -14.134 1.00 0.00 H new ATOM 898 N GLU A 57 1.132 1.082 -9.982 1.00 0.00 N ATOM 899 CA GLU A 57 0.421 1.929 -9.036 1.00 0.00 C ATOM 900 C GLU A 57 1.196 3.209 -8.724 1.00 0.00 C ATOM 901 O GLU A 57 0.790 3.997 -7.868 1.00 0.00 O ATOM 902 CB GLU A 57 0.123 1.154 -7.757 1.00 0.00 C ATOM 903 CG GLU A 57 -1.137 0.308 -7.856 1.00 0.00 C ATOM 904 CD GLU A 57 -0.843 -1.178 -7.868 1.00 0.00 C ATOM 905 OE1 GLU A 57 -0.593 -1.742 -6.784 1.00 0.00 O ATOM 906 OE2 GLU A 57 -0.862 -1.777 -8.962 1.00 0.00 O ATOM 0 H GLU A 57 1.960 0.625 -9.599 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.520 2.226 -9.498 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.970 0.509 -7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.019 1.856 -6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.791 0.538 -7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.679 0.575 -8.764 1.00 0.00 H new ATOM 913 N VAL A 58 2.297 3.419 -9.437 1.00 0.00 N ATOM 914 CA VAL A 58 3.116 4.608 -9.259 1.00 0.00 C ATOM 915 C VAL A 58 3.456 5.195 -10.618 1.00 0.00 C ATOM 916 O VAL A 58 3.363 6.404 -10.829 1.00 0.00 O ATOM 917 CB VAL A 58 4.425 4.299 -8.503 1.00 0.00 C ATOM 918 CG1 VAL A 58 5.194 5.575 -8.210 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.140 3.555 -7.213 1.00 0.00 C ATOM 0 H VAL A 58 2.643 2.775 -10.148 1.00 0.00 H new ATOM 0 HA VAL A 58 2.542 5.319 -8.665 1.00 0.00 H new ATOM 0 HB VAL A 58 5.037 3.664 -9.143 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.113 5.332 -7.677 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.440 6.075 -9.147 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.582 6.236 -7.596 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.078 3.348 -6.697 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.502 4.166 -6.574 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.635 2.616 -7.439 1.00 0.00 H new ATOM 929 N GLY A 59 3.824 4.316 -11.547 1.00 0.00 N ATOM 930 CA GLY A 59 4.151 4.733 -12.895 1.00 0.00 C ATOM 931 C GLY A 59 5.417 5.553 -12.996 1.00 0.00 C ATOM 932 O GLY A 59 6.199 5.396 -13.934 1.00 0.00 O ATOM 0 H GLY A 59 3.901 3.312 -11.384 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.253 3.848 -13.523 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.321 5.315 -13.296 1.00 0.00 H new ATOM 936 N ILE A 60 5.614 6.426 -12.033 1.00 0.00 N ATOM 937 CA ILE A 60 6.782 7.283 -11.998 1.00 0.00 C ATOM 938 C ILE A 60 8.004 6.520 -11.511 1.00 0.00 C ATOM 939 O ILE A 60 7.941 5.315 -11.264 1.00 0.00 O ATOM 940 CB ILE A 60 6.584 8.515 -11.085 1.00 0.00 C ATOM 941 CG1 ILE A 60 5.556 8.266 -9.983 1.00 0.00 C ATOM 942 CG2 ILE A 60 6.202 9.737 -11.903 1.00 0.00 C ATOM 943 CD1 ILE A 60 5.921 8.937 -8.675 1.00 0.00 C ATOM 0 H ILE A 60 4.971 6.563 -11.253 1.00 0.00 H new ATOM 0 HA ILE A 60 6.933 7.625 -13.022 1.00 0.00 H new ATOM 0 HB ILE A 60 7.540 8.702 -10.596 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.582 8.629 -10.312 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.458 7.193 -9.820 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.068 10.591 -11.240 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.992 9.956 -12.621 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.271 9.542 -12.436 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.154 8.724 -7.931 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.881 8.556 -8.326 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.992 10.014 -8.826 1.00 0.00 H new ATOM 955 N THR A 61 9.113 7.235 -11.377 1.00 0.00 N ATOM 956 CA THR A 61 10.352 6.658 -10.921 1.00 0.00 C ATOM 957 C THR A 61 10.709 7.217 -9.550 1.00 0.00 C ATOM 958 O THR A 61 11.368 8.252 -9.449 1.00 0.00 O ATOM 959 CB THR A 61 11.432 7.019 -11.920 1.00 0.00 C ATOM 960 OG1 THR A 61 11.212 8.319 -12.439 1.00 0.00 O ATOM 961 CG2 THR A 61 11.502 6.067 -13.091 1.00 0.00 C ATOM 0 H THR A 61 9.170 8.232 -11.584 1.00 0.00 H new ATOM 0 HA THR A 61 10.258 5.575 -10.839 1.00 0.00 H new ATOM 0 HB THR A 61 12.371 6.963 -11.369 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.859 8.942 -12.046 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.295 6.382 -13.769 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.712 5.060 -12.729 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.549 6.071 -13.621 1.00 0.00 H new ATOM 969 N PRO A 62 10.234 6.576 -8.473 1.00 0.00 N ATOM 970 CA PRO A 62 10.448 7.035 -7.119 1.00 0.00 C ATOM 971 C PRO A 62 11.379 6.161 -6.296 1.00 0.00 C ATOM 972 O PRO A 62 11.540 4.972 -6.571 1.00 0.00 O ATOM 973 CB PRO A 62 9.034 6.872 -6.588 1.00 0.00 C ATOM 974 CG PRO A 62 8.587 5.566 -7.174 1.00 0.00 C ATOM 975 CD PRO A 62 9.370 5.386 -8.459 1.00 0.00 C ATOM 0 HA PRO A 62 10.908 8.022 -7.074 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.015 6.850 -5.498 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.390 7.694 -6.902 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.778 4.744 -6.484 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.515 5.574 -7.370 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.950 4.463 -8.455 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.717 5.348 -9.331 1.00 0.00 H new ATOM 983 N GLN A 63 11.915 6.741 -5.229 1.00 0.00 N ATOM 984 CA GLN A 63 12.734 5.999 -4.311 1.00 0.00 C ATOM 985 C GLN A 63 11.745 5.351 -3.346 1.00 0.00 C ATOM 986 O GLN A 63 11.427 5.871 -2.278 1.00 0.00 O ATOM 987 CB GLN A 63 13.754 6.935 -3.639 1.00 0.00 C ATOM 988 CG GLN A 63 13.589 7.118 -2.144 1.00 0.00 C ATOM 989 CD GLN A 63 14.868 7.567 -1.463 1.00 0.00 C ATOM 990 OE1 GLN A 63 15.229 8.744 -1.509 1.00 0.00 O ATOM 991 NE2 GLN A 63 15.560 6.631 -0.826 1.00 0.00 N ATOM 0 H GLN A 63 11.790 7.724 -4.988 1.00 0.00 H new ATOM 0 HA GLN A 63 13.344 5.229 -4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.755 6.550 -3.831 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.692 7.913 -4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.806 7.852 -1.957 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.258 6.178 -1.702 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.224 5.668 -0.813 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.428 6.874 -0.349 1.00 0.00 H new ATOM 1000 N HIS A 64 11.198 4.243 -3.804 1.00 0.00 N ATOM 1001 CA HIS A 64 10.174 3.524 -3.073 1.00 0.00 C ATOM 1002 C HIS A 64 10.565 2.072 -2.919 1.00 0.00 C ATOM 1003 O HIS A 64 10.935 1.412 -3.891 1.00 0.00 O ATOM 1004 CB HIS A 64 8.859 3.681 -3.849 1.00 0.00 C ATOM 1005 CG HIS A 64 7.713 2.788 -3.436 1.00 0.00 C ATOM 1006 ND1 HIS A 64 7.857 1.520 -2.897 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.376 3.003 -3.506 1.00 0.00 C ATOM 1008 CE1 HIS A 64 6.665 1.005 -2.655 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.752 1.883 -3.016 1.00 0.00 N ATOM 0 H HIS A 64 11.451 3.815 -4.695 1.00 0.00 H new ATOM 0 HA HIS A 64 10.054 3.925 -2.067 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.532 4.717 -3.758 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.064 3.504 -4.905 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.891 3.893 -3.879 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.472 0.030 -2.233 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.743 1.752 -2.943 1.00 0.00 H new ATOM 1018 N PHE A 65 10.483 1.574 -1.690 1.00 0.00 N ATOM 1019 CA PHE A 65 10.834 0.202 -1.405 1.00 0.00 C ATOM 1020 C PHE A 65 10.786 -0.060 0.096 1.00 0.00 C ATOM 1021 O PHE A 65 10.309 0.764 0.864 1.00 0.00 O ATOM 1022 CB PHE A 65 12.239 -0.062 -1.912 1.00 0.00 C ATOM 1023 CG PHE A 65 12.412 -1.413 -2.547 1.00 0.00 C ATOM 1024 CD1 PHE A 65 11.657 -1.769 -3.653 1.00 0.00 C ATOM 1025 CD2 PHE A 65 13.327 -2.325 -2.043 1.00 0.00 C ATOM 1026 CE1 PHE A 65 11.809 -3.007 -4.245 1.00 0.00 C ATOM 1027 CE2 PHE A 65 13.484 -3.565 -2.633 1.00 0.00 C ATOM 1028 CZ PHE A 65 12.723 -3.907 -3.736 1.00 0.00 C ATOM 0 H PHE A 65 10.175 2.108 -0.878 1.00 0.00 H new ATOM 0 HA PHE A 65 10.122 -0.458 -1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.503 0.707 -2.638 1.00 0.00 H new ATOM 0 HB3 PHE A 65 12.938 0.031 -1.081 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.941 -1.069 -4.057 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.923 -2.064 -1.181 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.213 -3.271 -5.106 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.201 -4.267 -2.233 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.844 -4.876 -4.198 1.00 0.00 H new ATOM 1038 N SER A 66 11.298 -1.213 0.499 1.00 0.00 N ATOM 1039 CA SER A 66 11.338 -1.599 1.906 1.00 0.00 C ATOM 1040 C SER A 66 9.961 -2.013 2.389 1.00 0.00 C ATOM 1041 O SER A 66 8.954 -1.641 1.798 1.00 0.00 O ATOM 1042 CB SER A 66 11.872 -0.451 2.768 1.00 0.00 C ATOM 1043 OG SER A 66 12.301 -0.922 4.034 1.00 0.00 O ATOM 0 H SER A 66 11.696 -1.906 -0.135 1.00 0.00 H new ATOM 0 HA SER A 66 12.012 -2.450 2.001 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.702 0.036 2.257 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.094 0.301 2.901 1.00 0.00 H new ATOM 0 HG SER A 66 12.639 -0.171 4.565 1.00 0.00 H new ATOM 1049 N LEU A 67 9.931 -2.788 3.464 1.00 0.00 N ATOM 1050 CA LEU A 67 8.676 -3.258 4.031 1.00 0.00 C ATOM 1051 C LEU A 67 8.510 -2.761 5.460 1.00 0.00 C ATOM 1052 O LEU A 67 9.269 -3.144 6.350 1.00 0.00 O ATOM 1053 CB LEU A 67 8.623 -4.789 3.998 1.00 0.00 C ATOM 1054 CG LEU A 67 7.443 -5.417 4.748 1.00 0.00 C ATOM 1055 CD1 LEU A 67 6.886 -6.602 3.973 1.00 0.00 C ATOM 1056 CD2 LEU A 67 7.868 -5.845 6.145 1.00 0.00 C ATOM 0 H LEU A 67 10.763 -3.105 3.961 1.00 0.00 H new ATOM 0 HA LEU A 67 7.858 -2.860 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.586 -5.113 2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.550 -5.178 4.420 1.00 0.00 H new ATOM 0 HG LEU A 67 6.656 -4.668 4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.049 -7.034 4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.544 -6.268 2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.665 -7.354 3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.018 -6.289 6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.672 -6.578 6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.219 -4.976 6.701 1.00 0.00 H new ATOM 1068 N PHE A 68 7.517 -1.905 5.679 1.00 0.00 N ATOM 1069 CA PHE A 68 7.268 -1.365 7.006 1.00 0.00 C ATOM 1070 C PHE A 68 6.595 -2.427 7.873 1.00 0.00 C ATOM 1071 O PHE A 68 6.896 -2.567 9.058 1.00 0.00 O ATOM 1072 CB PHE A 68 6.398 -0.098 6.905 1.00 0.00 C ATOM 1073 CG PHE A 68 5.183 -0.096 7.797 1.00 0.00 C ATOM 1074 CD1 PHE A 68 4.091 -0.894 7.499 1.00 0.00 C ATOM 1075 CD2 PHE A 68 5.137 0.701 8.930 1.00 0.00 C ATOM 1076 CE1 PHE A 68 2.975 -0.900 8.312 1.00 0.00 C ATOM 1077 CE2 PHE A 68 4.023 0.700 9.748 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.940 -0.102 9.439 1.00 0.00 C ATOM 0 H PHE A 68 6.876 -1.573 4.958 1.00 0.00 H new ATOM 0 HA PHE A 68 8.214 -1.088 7.471 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.012 0.769 7.149 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.073 0.022 5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.113 -1.520 6.619 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.980 1.329 9.176 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.131 -1.528 8.067 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.998 1.325 10.628 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.069 -0.105 10.077 1.00 0.00 H new ATOM 1088 N GLU A 69 5.683 -3.174 7.258 1.00 0.00 N ATOM 1089 CA GLU A 69 4.957 -4.233 7.949 1.00 0.00 C ATOM 1090 C GLU A 69 4.136 -5.058 6.963 1.00 0.00 C ATOM 1091 O GLU A 69 3.886 -4.629 5.842 1.00 0.00 O ATOM 1092 CB GLU A 69 4.042 -3.638 9.021 1.00 0.00 C ATOM 1093 CG GLU A 69 3.924 -4.499 10.268 1.00 0.00 C ATOM 1094 CD GLU A 69 3.500 -3.703 11.487 1.00 0.00 C ATOM 1095 OE1 GLU A 69 2.343 -3.235 11.516 1.00 0.00 O ATOM 1096 OE2 GLU A 69 4.325 -3.549 12.412 1.00 0.00 O ATOM 0 H GLU A 69 5.429 -3.064 6.276 1.00 0.00 H new ATOM 0 HA GLU A 69 5.685 -4.888 8.427 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.419 -2.655 9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.049 -3.489 8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.201 -5.295 10.089 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.883 -4.978 10.467 1.00 0.00 H new ATOM 1103 N LYS A 70 3.720 -6.243 7.383 1.00 0.00 N ATOM 1104 CA LYS A 70 2.921 -7.119 6.535 1.00 0.00 C ATOM 1105 C LYS A 70 1.889 -7.860 7.383 1.00 0.00 C ATOM 1106 O LYS A 70 2.223 -8.386 8.445 1.00 0.00 O ATOM 1107 CB LYS A 70 3.816 -8.118 5.796 1.00 0.00 C ATOM 1108 CG LYS A 70 4.632 -9.010 6.719 1.00 0.00 C ATOM 1109 CD LYS A 70 5.896 -8.312 7.200 1.00 0.00 C ATOM 1110 CE LYS A 70 7.141 -9.115 6.864 1.00 0.00 C ATOM 1111 NZ LYS A 70 8.216 -8.929 7.879 1.00 0.00 N ATOM 0 H LYS A 70 3.922 -6.622 8.308 1.00 0.00 H new ATOM 0 HA LYS A 70 2.403 -6.511 5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.194 -8.745 5.156 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.494 -7.570 5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.025 -9.298 7.578 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.899 -9.928 6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.964 -7.325 6.742 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.840 -8.160 8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.884 -10.172 6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.512 -8.815 5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.047 -9.494 7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.480 -7.924 7.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.872 -9.239 8.810 1.00 0.00 H new ATOM 1125 N LEU A 71 0.637 -7.896 6.933 1.00 0.00 N ATOM 1126 CA LEU A 71 -0.398 -8.574 7.697 1.00 0.00 C ATOM 1127 C LEU A 71 -0.631 -10.000 7.195 1.00 0.00 C ATOM 1128 O LEU A 71 -1.054 -10.226 6.061 1.00 0.00 O ATOM 1129 CB LEU A 71 -1.703 -7.765 7.629 1.00 0.00 C ATOM 1130 CG LEU A 71 -3.003 -8.581 7.673 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -3.272 -9.084 9.082 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -4.172 -7.746 7.166 1.00 0.00 C ATOM 0 H LEU A 71 0.322 -7.472 6.061 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.064 -8.644 8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.713 -7.058 8.459 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.696 -7.178 6.710 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.890 -9.446 7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.197 -9.660 9.092 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.447 -9.718 9.406 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.365 -8.235 9.760 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.086 -8.339 7.204 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.287 -6.862 7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.981 -7.439 6.138 1.00 0.00 H new ATOM 1144 N GLU A 72 -0.315 -10.945 8.066 1.00 0.00 N ATOM 1145 CA GLU A 72 -0.445 -12.351 7.745 1.00 0.00 C ATOM 1146 C GLU A 72 -1.499 -13.034 8.612 1.00 0.00 C ATOM 1147 O GLU A 72 -1.297 -13.262 9.805 1.00 0.00 O ATOM 1148 CB GLU A 72 0.908 -13.038 7.904 1.00 0.00 C ATOM 1149 CG GLU A 72 0.839 -14.534 7.723 1.00 0.00 C ATOM 1150 CD GLU A 72 2.177 -15.216 7.927 1.00 0.00 C ATOM 1151 OE1 GLU A 72 3.187 -14.712 7.390 1.00 0.00 O ATOM 1152 OE2 GLU A 72 2.216 -16.251 8.624 1.00 0.00 O ATOM 0 H GLU A 72 0.035 -10.759 9.006 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.776 -12.436 6.710 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.607 -12.622 7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.307 -12.816 8.894 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.116 -14.947 8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.472 -14.757 6.721 1.00 0.00 H new ATOM 1159 N TYR A 73 -2.621 -13.369 7.980 1.00 0.00 N ATOM 1160 CA TYR A 73 -3.725 -14.045 8.648 1.00 0.00 C ATOM 1161 C TYR A 73 -4.359 -15.066 7.708 1.00 0.00 C ATOM 1162 O TYR A 73 -4.567 -14.782 6.528 1.00 0.00 O ATOM 1163 CB TYR A 73 -4.774 -13.030 9.107 1.00 0.00 C ATOM 1164 CG TYR A 73 -5.710 -13.562 10.170 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -5.223 -14.294 11.247 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -7.077 -13.332 10.097 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -6.075 -14.781 12.220 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -7.935 -13.817 11.066 1.00 0.00 C ATOM 1169 CZ TYR A 73 -7.429 -14.540 12.126 1.00 0.00 C ATOM 1170 OH TYR A 73 -8.280 -15.023 13.092 1.00 0.00 O ATOM 0 H TYR A 73 -2.788 -13.179 6.992 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.337 -14.564 9.525 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.267 -12.145 9.492 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.360 -12.712 8.245 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.163 -14.485 11.324 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.477 -12.765 9.269 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.682 -15.348 13.051 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.996 -13.631 10.994 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.200 -14.764 12.876 1.00 0.00 H new ATOM 1180 N GLU A 74 -4.667 -16.251 8.223 1.00 0.00 N ATOM 1181 CA GLU A 74 -5.278 -17.290 7.397 1.00 0.00 C ATOM 1182 C GLU A 74 -6.627 -17.725 7.951 1.00 0.00 C ATOM 1183 O GLU A 74 -6.717 -18.313 9.029 1.00 0.00 O ATOM 1184 CB GLU A 74 -4.356 -18.505 7.257 1.00 0.00 C ATOM 1185 CG GLU A 74 -3.596 -18.853 8.525 1.00 0.00 C ATOM 1186 CD GLU A 74 -2.287 -19.565 8.242 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -2.319 -20.632 7.594 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -1.230 -19.054 8.669 1.00 0.00 O ATOM 0 H GLU A 74 -4.507 -16.516 9.195 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.436 -16.856 6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.951 -19.367 6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.640 -18.315 6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.395 -17.940 9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.220 -19.485 9.157 1.00 0.00 H new ATOM 1195 N PHE A 75 -7.670 -17.437 7.187 1.00 0.00 N ATOM 1196 CA PHE A 75 -9.028 -17.788 7.552 1.00 0.00 C ATOM 1197 C PHE A 75 -9.364 -19.189 7.038 1.00 0.00 C ATOM 1198 O PHE A 75 -8.663 -19.714 6.176 1.00 0.00 O ATOM 1199 CB PHE A 75 -9.999 -16.760 6.972 1.00 0.00 C ATOM 1200 CG PHE A 75 -10.395 -15.669 7.933 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -10.588 -15.934 9.282 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -10.574 -14.371 7.479 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -10.952 -14.926 10.155 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -10.939 -13.361 8.348 1.00 0.00 C ATOM 1205 CZ PHE A 75 -11.127 -13.638 9.687 1.00 0.00 C ATOM 0 H PHE A 75 -7.594 -16.951 6.293 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.120 -17.787 8.638 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.545 -16.305 6.092 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.898 -17.276 6.636 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.452 -16.939 9.654 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.426 -14.147 6.433 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.099 -15.145 11.202 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.077 -12.355 7.980 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.410 -12.849 10.368 1.00 0.00 H new ATOM 1215 N PRO A 76 -10.438 -19.809 7.568 1.00 0.00 N ATOM 1216 CA PRO A 76 -10.888 -21.147 7.189 1.00 0.00 C ATOM 1217 C PRO A 76 -10.627 -21.484 5.723 1.00 0.00 C ATOM 1218 O PRO A 76 -11.527 -21.417 4.885 1.00 0.00 O ATOM 1219 CB PRO A 76 -12.398 -21.108 7.478 1.00 0.00 C ATOM 1220 CG PRO A 76 -12.657 -19.817 8.199 1.00 0.00 C ATOM 1221 CD PRO A 76 -11.317 -19.252 8.585 1.00 0.00 C ATOM 0 HA PRO A 76 -10.349 -21.919 7.739 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.972 -21.158 6.553 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.699 -21.960 8.087 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -13.200 -19.120 7.560 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.273 -19.985 9.082 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.316 -18.162 8.570 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -11.021 -19.557 9.589 1.00 0.00 H new ATOM 1229 N ASP A 77 -9.381 -21.850 5.436 1.00 0.00 N ATOM 1230 CA ASP A 77 -8.949 -22.216 4.083 1.00 0.00 C ATOM 1231 C ASP A 77 -8.530 -20.991 3.276 1.00 0.00 C ATOM 1232 O ASP A 77 -7.480 -20.993 2.633 1.00 0.00 O ATOM 1233 CB ASP A 77 -10.053 -22.978 3.339 1.00 0.00 C ATOM 1234 CG ASP A 77 -9.502 -23.881 2.254 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -8.349 -23.660 1.826 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -10.222 -24.809 1.831 1.00 0.00 O ATOM 0 H ASP A 77 -8.638 -21.902 6.133 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.082 -22.868 4.190 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.621 -23.576 4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.748 -22.265 2.896 1.00 0.00 H new ATOM 1241 N ARG A 78 -9.353 -19.948 3.307 1.00 0.00 N ATOM 1242 CA ARG A 78 -9.061 -18.722 2.569 1.00 0.00 C ATOM 1243 C ARG A 78 -8.206 -17.771 3.402 1.00 0.00 C ATOM 1244 O ARG A 78 -8.708 -17.109 4.306 1.00 0.00 O ATOM 1245 CB ARG A 78 -10.364 -18.030 2.164 1.00 0.00 C ATOM 1246 CG ARG A 78 -10.329 -17.443 0.761 1.00 0.00 C ATOM 1247 CD ARG A 78 -11.229 -18.217 -0.190 1.00 0.00 C ATOM 1248 NE ARG A 78 -12.643 -18.057 0.142 1.00 0.00 N ATOM 1249 CZ ARG A 78 -13.624 -18.732 -0.451 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -13.351 -19.615 -1.404 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -14.884 -18.526 -0.090 1.00 0.00 N ATOM 0 H ARG A 78 -10.226 -19.926 3.834 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.501 -18.991 1.673 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.182 -18.747 2.229 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.580 -17.234 2.877 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.644 -16.400 0.794 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.306 -17.455 0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.056 -17.877 -1.211 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.966 -19.274 -0.158 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.892 -17.389 0.871 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.384 -19.779 -1.685 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.108 -20.129 -1.855 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.101 -17.850 0.642 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.636 -19.044 -0.545 1.00 0.00 H new ATOM 1265 N HIS A 79 -6.913 -17.707 3.092 1.00 0.00 N ATOM 1266 CA HIS A 79 -5.997 -16.836 3.818 1.00 0.00 C ATOM 1267 C HIS A 79 -5.753 -15.538 3.061 1.00 0.00 C ATOM 1268 O HIS A 79 -5.864 -15.488 1.836 1.00 0.00 O ATOM 1269 CB HIS A 79 -4.665 -17.548 4.067 1.00 0.00 C ATOM 1270 CG HIS A 79 -4.807 -19.010 4.359 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -5.967 -19.570 4.854 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -3.927 -20.030 4.224 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -5.792 -20.870 5.012 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -4.564 -21.174 4.636 1.00 0.00 N ATOM 0 H HIS A 79 -6.478 -18.248 2.344 1.00 0.00 H new ATOM 0 HA HIS A 79 -6.459 -16.595 4.775 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.027 -17.422 3.192 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.158 -17.067 4.903 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -2.913 -19.957 3.860 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.529 -21.566 5.385 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.154 -22.108 4.649 1.00 0.00 H new ATOM 1283 N ILE A 80 -5.404 -14.489 3.800 1.00 0.00 N ATOM 1284 CA ILE A 80 -5.123 -13.193 3.216 1.00 0.00 C ATOM 1285 C ILE A 80 -3.736 -12.727 3.647 1.00 0.00 C ATOM 1286 O ILE A 80 -3.331 -12.943 4.790 1.00 0.00 O ATOM 1287 CB ILE A 80 -6.177 -12.148 3.641 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -5.706 -10.740 3.290 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -6.461 -12.254 5.133 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -6.836 -9.754 3.088 1.00 0.00 C ATOM 0 H ILE A 80 -5.310 -14.519 4.815 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.160 -13.292 2.131 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.100 -12.350 3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.055 -10.375 4.085 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.106 -10.783 2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.206 -11.510 5.415 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.839 -13.251 5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.542 -12.077 5.692 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.425 -8.775 2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.475 -10.095 2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.423 -9.681 4.003 1.00 0.00 H new ATOM 1302 N THR A 81 -3.009 -12.091 2.738 1.00 0.00 N ATOM 1303 CA THR A 81 -1.674 -11.605 3.044 1.00 0.00 C ATOM 1304 C THR A 81 -1.488 -10.180 2.529 1.00 0.00 C ATOM 1305 O THR A 81 -1.577 -9.932 1.327 1.00 0.00 O ATOM 1306 CB THR A 81 -0.635 -12.533 2.414 1.00 0.00 C ATOM 1307 OG1 THR A 81 -1.267 -13.566 1.676 1.00 0.00 O ATOM 1308 CG2 THR A 81 0.278 -13.189 3.423 1.00 0.00 C ATOM 0 H THR A 81 -3.322 -11.901 1.786 1.00 0.00 H new ATOM 0 HA THR A 81 -1.542 -11.596 4.126 1.00 0.00 H new ATOM 0 HB THR A 81 -0.034 -11.892 1.769 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.704 -14.368 1.687 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.989 -13.833 2.906 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.819 -12.422 3.977 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.315 -13.786 4.116 1.00 0.00 H new ATOM 1316 N LEU A 82 -1.232 -9.247 3.439 1.00 0.00 N ATOM 1317 CA LEU A 82 -1.042 -7.850 3.060 1.00 0.00 C ATOM 1318 C LEU A 82 0.369 -7.376 3.396 1.00 0.00 C ATOM 1319 O LEU A 82 0.741 -7.298 4.559 1.00 0.00 O ATOM 1320 CB LEU A 82 -2.073 -6.968 3.768 1.00 0.00 C ATOM 1321 CG LEU A 82 -3.286 -6.587 2.920 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -4.459 -6.201 3.807 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -2.935 -5.451 1.971 1.00 0.00 C ATOM 0 H LEU A 82 -1.151 -9.430 4.439 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.180 -7.770 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.421 -7.487 4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.580 -6.055 4.102 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.578 -7.454 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.313 -5.933 3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.725 -7.044 4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.181 -5.349 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.810 -5.192 1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.617 -4.581 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.126 -5.765 1.311 1.00 0.00 H new ATOM 1335 N TRP A 83 1.153 -7.056 2.375 1.00 0.00 N ATOM 1336 CA TRP A 83 2.519 -6.592 2.592 1.00 0.00 C ATOM 1337 C TRP A 83 2.624 -5.084 2.410 1.00 0.00 C ATOM 1338 O TRP A 83 2.295 -4.552 1.349 1.00 0.00 O ATOM 1339 CB TRP A 83 3.482 -7.298 1.637 1.00 0.00 C ATOM 1340 CG TRP A 83 3.616 -8.761 1.917 1.00 0.00 C ATOM 1341 CD1 TRP A 83 2.635 -9.598 2.353 1.00 0.00 C ATOM 1342 CD2 TRP A 83 4.799 -9.557 1.786 1.00 0.00 C ATOM 1343 NE1 TRP A 83 3.128 -10.869 2.498 1.00 0.00 N ATOM 1344 CE2 TRP A 83 4.456 -10.872 2.157 1.00 0.00 C ATOM 1345 CE3 TRP A 83 6.112 -9.290 1.391 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 5.378 -11.914 2.144 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 7.027 -10.326 1.379 1.00 0.00 C ATOM 1348 CH2 TRP A 83 6.657 -11.624 1.754 1.00 0.00 C ATOM 0 H TRP A 83 0.871 -7.108 1.396 1.00 0.00 H new ATOM 0 HA TRP A 83 2.792 -6.834 3.619 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.135 -7.160 0.613 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.463 -6.829 1.707 1.00 0.00 H new ATOM 0 HD1 TRP A 83 1.616 -9.303 2.555 1.00 0.00 H new ATOM 0 HE1 TRP A 83 2.594 -11.680 2.809 1.00 0.00 H new ATOM 0 HE3 TRP A 83 6.407 -8.292 1.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.094 -12.916 2.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 8.045 -10.131 1.075 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.396 -12.411 1.735 1.00 0.00 H new ATOM 1359 N PHE A 84 3.098 -4.401 3.447 1.00 0.00 N ATOM 1360 CA PHE A 84 3.262 -2.954 3.389 1.00 0.00 C ATOM 1361 C PHE A 84 4.717 -2.600 3.074 1.00 0.00 C ATOM 1362 O PHE A 84 5.630 -3.010 3.791 1.00 0.00 O ATOM 1363 CB PHE A 84 2.828 -2.287 4.706 1.00 0.00 C ATOM 1364 CG PHE A 84 1.332 -2.183 4.890 1.00 0.00 C ATOM 1365 CD1 PHE A 84 0.473 -3.039 4.218 1.00 0.00 C ATOM 1366 CD2 PHE A 84 0.786 -1.228 5.741 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -0.896 -2.946 4.389 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.582 -1.133 5.912 1.00 0.00 C ATOM 1369 CZ PHE A 84 -1.423 -1.993 5.235 1.00 0.00 C ATOM 0 H PHE A 84 3.374 -4.824 4.333 1.00 0.00 H new ATOM 0 HA PHE A 84 2.620 -2.576 2.593 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.246 -2.851 5.540 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.258 -1.286 4.751 1.00 0.00 H new ATOM 0 HD1 PHE A 84 0.878 -3.787 3.553 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.439 -0.553 6.274 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.553 -3.620 3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.993 -0.386 6.575 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.492 -1.920 5.368 1.00 0.00 H new ATOM 1379 N TRP A 85 4.932 -1.839 2.002 1.00 0.00 N ATOM 1380 CA TRP A 85 6.282 -1.439 1.604 1.00 0.00 C ATOM 1381 C TRP A 85 6.569 -0.003 2.036 1.00 0.00 C ATOM 1382 O TRP A 85 5.866 0.921 1.626 1.00 0.00 O ATOM 1383 CB TRP A 85 6.453 -1.578 0.091 1.00 0.00 C ATOM 1384 CG TRP A 85 6.177 -2.961 -0.411 1.00 0.00 C ATOM 1385 CD1 TRP A 85 5.020 -3.413 -0.977 1.00 0.00 C ATOM 1386 CD2 TRP A 85 7.075 -4.077 -0.387 1.00 0.00 C ATOM 1387 NE1 TRP A 85 5.144 -4.741 -1.309 1.00 0.00 N ATOM 1388 CE2 TRP A 85 6.397 -5.171 -0.957 1.00 0.00 C ATOM 1389 CE3 TRP A 85 8.388 -4.258 0.057 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 6.986 -6.425 -1.091 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 8.972 -5.503 -0.077 1.00 0.00 C ATOM 1392 CH2 TRP A 85 8.272 -6.572 -0.646 1.00 0.00 C ATOM 0 H TRP A 85 4.192 -1.488 1.395 1.00 0.00 H new ATOM 0 HA TRP A 85 6.994 -2.098 2.101 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.785 -0.877 -0.409 1.00 0.00 H new ATOM 0 HB3 TRP A 85 7.471 -1.297 -0.180 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.136 -2.814 -1.140 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.421 -5.313 -1.746 1.00 0.00 H new ATOM 0 HE3 TRP A 85 8.937 -3.439 0.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 6.448 -7.252 -1.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 9.986 -5.653 0.263 1.00 0.00 H new ATOM 0 HH2 TRP A 85 8.756 -7.533 -0.736 1.00 0.00 H new ATOM 1403 N LEU A 86 7.568 0.185 2.904 1.00 0.00 N ATOM 1404 CA LEU A 86 7.855 1.530 3.400 1.00 0.00 C ATOM 1405 C LEU A 86 8.617 2.383 2.380 1.00 0.00 C ATOM 1406 O LEU A 86 9.837 2.302 2.254 1.00 0.00 O ATOM 1407 CB LEU A 86 8.656 1.444 4.699 1.00 0.00 C ATOM 1408 CG LEU A 86 8.826 2.766 5.455 1.00 0.00 C ATOM 1409 CD1 LEU A 86 9.846 3.654 4.760 1.00 0.00 C ATOM 1410 CD2 LEU A 86 7.490 3.485 5.583 1.00 0.00 C ATOM 0 H LEU A 86 8.173 -0.552 3.267 1.00 0.00 H new ATOM 0 HA LEU A 86 6.897 2.017 3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.168 0.727 5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.645 1.046 4.471 1.00 0.00 H new ATOM 0 HG LEU A 86 9.193 2.542 6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.952 4.588 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.808 3.143 4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.510 3.869 3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.631 4.421 6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.093 3.695 4.590 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.788 2.854 6.128 1.00 0.00 H new ATOM 1422 N VAL A 87 7.855 3.202 1.668 1.00 0.00 N ATOM 1423 CA VAL A 87 8.373 4.099 0.631 1.00 0.00 C ATOM 1424 C VAL A 87 9.097 5.287 1.208 1.00 0.00 C ATOM 1425 O VAL A 87 8.734 5.790 2.271 1.00 0.00 O ATOM 1426 CB VAL A 87 7.253 4.633 -0.244 1.00 0.00 C ATOM 1427 CG1 VAL A 87 7.804 5.319 -1.485 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.302 3.506 -0.604 1.00 0.00 C ATOM 0 H VAL A 87 6.845 3.267 1.792 1.00 0.00 H new ATOM 0 HA VAL A 87 9.068 3.497 0.045 1.00 0.00 H new ATOM 0 HB VAL A 87 6.698 5.387 0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.979 5.691 -2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.440 6.153 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.389 4.606 -2.066 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.500 3.894 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.845 2.731 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.878 3.083 0.307 1.00 0.00 H new ATOM 1438 N GLU A 88 10.133 5.734 0.511 1.00 0.00 N ATOM 1439 CA GLU A 88 10.893 6.871 0.999 1.00 0.00 C ATOM 1440 C GLU A 88 10.704 8.150 0.167 1.00 0.00 C ATOM 1441 O GLU A 88 10.643 9.238 0.740 1.00 0.00 O ATOM 1442 CB GLU A 88 12.380 6.523 1.096 1.00 0.00 C ATOM 1443 CG GLU A 88 12.648 5.086 1.512 1.00 0.00 C ATOM 1444 CD GLU A 88 13.748 4.973 2.549 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.714 5.761 2.478 1.00 0.00 O ATOM 1446 OE2 GLU A 88 13.644 4.095 3.431 1.00 0.00 O ATOM 0 H GLU A 88 10.458 5.338 -0.371 1.00 0.00 H new ATOM 0 HA GLU A 88 10.496 7.089 1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.850 6.705 0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.854 7.193 1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.732 4.651 1.911 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.922 4.502 0.633 1.00 0.00 H new ATOM 1453 N ARG A 89 10.628 8.052 -1.165 1.00 0.00 N ATOM 1454 CA ARG A 89 10.470 9.261 -1.980 1.00 0.00 C ATOM 1455 C ARG A 89 9.992 8.943 -3.394 1.00 0.00 C ATOM 1456 O ARG A 89 10.044 7.794 -3.829 1.00 0.00 O ATOM 1457 CB ARG A 89 11.784 10.065 -1.998 1.00 0.00 C ATOM 1458 CG ARG A 89 12.602 9.944 -3.279 1.00 0.00 C ATOM 1459 CD ARG A 89 12.464 11.182 -4.151 1.00 0.00 C ATOM 1460 NE ARG A 89 13.667 12.012 -4.117 1.00 0.00 N ATOM 1461 CZ ARG A 89 14.847 11.626 -4.595 1.00 0.00 C ATOM 1462 NH1 ARG A 89 14.989 10.424 -5.140 1.00 0.00 N ATOM 1463 NH2 ARG A 89 15.890 12.443 -4.526 1.00 0.00 N ATOM 0 H ARG A 89 10.672 7.178 -1.688 1.00 0.00 H new ATOM 0 HA ARG A 89 9.694 9.873 -1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.550 11.117 -1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.401 9.741 -1.160 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.652 9.790 -3.028 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.276 9.067 -3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.260 10.881 -5.179 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.609 11.769 -3.815 1.00 0.00 H new ATOM 0 HE ARG A 89 13.598 12.941 -3.703 1.00 0.00 H new ATOM 0 HH11 ARG A 89 14.191 9.791 -5.194 1.00 0.00 H new ATOM 0 HH12 ARG A 89 15.896 10.133 -5.505 1.00 0.00 H new ATOM 0 HH21 ARG A 89 15.787 13.367 -4.106 1.00 0.00 H new ATOM 0 HH22 ARG A 89 16.795 12.147 -4.892 1.00 0.00 H new ATOM 1477 N TRP A 90 9.543 9.972 -4.113 1.00 0.00 N ATOM 1478 CA TRP A 90 9.076 9.791 -5.482 1.00 0.00 C ATOM 1479 C TRP A 90 9.408 10.998 -6.358 1.00 0.00 C ATOM 1480 O TRP A 90 9.143 12.140 -5.984 1.00 0.00 O ATOM 1481 CB TRP A 90 7.570 9.506 -5.507 1.00 0.00 C ATOM 1482 CG TRP A 90 6.706 10.716 -5.340 1.00 0.00 C ATOM 1483 CD1 TRP A 90 6.445 11.674 -6.277 1.00 0.00 C ATOM 1484 CD2 TRP A 90 5.970 11.082 -4.172 1.00 0.00 C ATOM 1485 NE1 TRP A 90 5.587 12.614 -5.761 1.00 0.00 N ATOM 1486 CE2 TRP A 90 5.279 12.272 -4.471 1.00 0.00 C ATOM 1487 CE3 TRP A 90 5.827 10.518 -2.904 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 4.454 12.905 -3.547 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 5.007 11.149 -1.988 1.00 0.00 C ATOM 1490 CH2 TRP A 90 4.328 12.330 -2.313 1.00 0.00 C ATOM 0 H TRP A 90 9.494 10.932 -3.771 1.00 0.00 H new ATOM 0 HA TRP A 90 9.602 8.930 -5.895 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.320 9.024 -6.452 1.00 0.00 H new ATOM 0 HB3 TRP A 90 7.335 8.795 -4.715 1.00 0.00 H new ATOM 0 HD1 TRP A 90 6.853 11.690 -7.277 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.236 13.433 -6.257 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.346 9.607 -2.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 3.932 13.817 -3.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 4.887 10.723 -1.003 1.00 0.00 H new ATOM 0 HH2 TRP A 90 3.692 12.796 -1.574 1.00 0.00 H new ATOM 1501 N GLU A 91 9.987 10.732 -7.531 1.00 0.00 N ATOM 1502 CA GLU A 91 10.349 11.797 -8.459 1.00 0.00 C ATOM 1503 C GLU A 91 9.132 12.256 -9.254 1.00 0.00 C ATOM 1504 O GLU A 91 8.557 11.488 -10.028 1.00 0.00 O ATOM 1505 CB GLU A 91 11.445 11.320 -9.414 1.00 0.00 C ATOM 1506 CG GLU A 91 12.727 10.906 -8.710 1.00 0.00 C ATOM 1507 CD GLU A 91 13.821 10.505 -9.680 1.00 0.00 C ATOM 1508 OE1 GLU A 91 13.488 10.057 -10.798 1.00 0.00 O ATOM 1509 OE2 GLU A 91 15.011 10.639 -9.323 1.00 0.00 O ATOM 0 H GLU A 91 10.213 9.792 -7.856 1.00 0.00 H new ATOM 0 HA GLU A 91 10.725 12.640 -7.879 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.069 10.476 -9.993 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.670 12.117 -10.122 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.080 11.731 -8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.517 10.072 -8.040 1.00 0.00 H new ATOM 1516 N GLY A 92 8.739 13.509 -9.056 1.00 0.00 N ATOM 1517 CA GLY A 92 7.589 14.044 -9.759 1.00 0.00 C ATOM 1518 C GLY A 92 6.294 13.815 -9.005 1.00 0.00 C ATOM 1519 O GLY A 92 6.129 14.293 -7.883 1.00 0.00 O ATOM 0 H GLY A 92 9.196 14.164 -8.421 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.729 15.113 -9.919 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.520 13.581 -10.743 1.00 0.00 H new ATOM 1523 N GLU A 93 5.374 13.080 -9.621 1.00 0.00 N ATOM 1524 CA GLU A 93 4.089 12.789 -8.997 1.00 0.00 C ATOM 1525 C GLU A 93 3.719 11.314 -9.166 1.00 0.00 C ATOM 1526 O GLU A 93 3.899 10.747 -10.242 1.00 0.00 O ATOM 1527 CB GLU A 93 2.995 13.671 -9.602 1.00 0.00 C ATOM 1528 CG GLU A 93 2.757 14.959 -8.831 1.00 0.00 C ATOM 1529 CD GLU A 93 1.745 15.864 -9.506 1.00 0.00 C ATOM 1530 OE1 GLU A 93 2.131 16.586 -10.450 1.00 0.00 O ATOM 1531 OE2 GLU A 93 0.568 15.851 -9.091 1.00 0.00 O ATOM 0 H GLU A 93 5.494 12.676 -10.550 1.00 0.00 H new ATOM 0 HA GLU A 93 4.175 13.003 -7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.264 13.917 -10.629 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.065 13.105 -9.643 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.410 14.718 -7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.701 15.493 -8.723 1.00 0.00 H new ATOM 1538 N PRO A 94 3.187 10.671 -8.107 1.00 0.00 N ATOM 1539 CA PRO A 94 2.781 9.265 -8.148 1.00 0.00 C ATOM 1540 C PRO A 94 1.467 9.098 -8.891 1.00 0.00 C ATOM 1541 O PRO A 94 0.512 9.834 -8.640 1.00 0.00 O ATOM 1542 CB PRO A 94 2.617 8.886 -6.664 1.00 0.00 C ATOM 1543 CG PRO A 94 3.107 10.069 -5.890 1.00 0.00 C ATOM 1544 CD PRO A 94 2.917 11.251 -6.791 1.00 0.00 C ATOM 0 HA PRO A 94 3.503 8.637 -8.670 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.576 8.667 -6.428 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.193 7.993 -6.422 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.547 10.190 -4.963 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.155 9.950 -5.616 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.908 11.659 -6.723 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.605 12.062 -6.552 1.00 0.00 H new ATOM 1552 N TRP A 95 1.410 8.146 -9.816 1.00 0.00 N ATOM 1553 CA TRP A 95 0.189 7.941 -10.579 1.00 0.00 C ATOM 1554 C TRP A 95 -0.145 6.468 -10.784 1.00 0.00 C ATOM 1555 O TRP A 95 -1.194 5.993 -10.349 1.00 0.00 O ATOM 1556 CB TRP A 95 0.287 8.631 -11.944 1.00 0.00 C ATOM 1557 CG TRP A 95 1.564 8.359 -12.704 1.00 0.00 C ATOM 1558 CD1 TRP A 95 2.736 9.048 -12.604 1.00 0.00 C ATOM 1559 CD2 TRP A 95 1.790 7.338 -13.691 1.00 0.00 C ATOM 1560 NE1 TRP A 95 3.671 8.535 -13.476 1.00 0.00 N ATOM 1561 CE2 TRP A 95 3.112 7.488 -14.155 1.00 0.00 C ATOM 1562 CE3 TRP A 95 1.004 6.317 -14.226 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 3.658 6.660 -15.134 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 1.547 5.492 -15.195 1.00 0.00 C ATOM 1565 CH2 TRP A 95 2.861 5.671 -15.644 1.00 0.00 C ATOM 0 H TRP A 95 2.178 7.517 -10.051 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.616 8.382 -9.991 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.557 8.315 -12.556 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.190 9.707 -11.799 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.907 9.879 -11.936 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.624 8.880 -13.595 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.012 6.173 -13.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.673 6.794 -15.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.947 4.697 -15.612 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.253 5.016 -16.408 1.00 0.00 H new ATOM 1576 N GLY A 96 0.739 5.760 -11.468 1.00 0.00 N ATOM 1577 CA GLY A 96 0.510 4.351 -11.748 1.00 0.00 C ATOM 1578 C GLY A 96 -0.881 4.077 -12.301 1.00 0.00 C ATOM 1579 O GLY A 96 -1.166 4.374 -13.461 1.00 0.00 O ATOM 0 H GLY A 96 1.614 6.133 -11.837 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.255 4.002 -12.463 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.652 3.776 -10.833 1.00 0.00 H new ATOM 1583 N LYS A 97 -1.742 3.503 -11.466 1.00 0.00 N ATOM 1584 CA LYS A 97 -3.109 3.180 -11.868 1.00 0.00 C ATOM 1585 C LYS A 97 -3.985 2.864 -10.654 1.00 0.00 C ATOM 1586 O LYS A 97 -5.028 2.224 -10.784 1.00 0.00 O ATOM 1587 CB LYS A 97 -3.114 1.989 -12.833 1.00 0.00 C ATOM 1588 CG LYS A 97 -3.327 2.379 -14.287 1.00 0.00 C ATOM 1589 CD LYS A 97 -4.663 3.079 -14.487 1.00 0.00 C ATOM 1590 CE LYS A 97 -4.478 4.545 -14.844 1.00 0.00 C ATOM 1591 NZ LYS A 97 -5.493 5.411 -14.183 1.00 0.00 N ATOM 0 H LYS A 97 -1.517 3.251 -10.504 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.522 4.054 -12.371 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.167 1.457 -12.744 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.899 1.294 -12.534 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.519 3.035 -14.611 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.284 1.488 -14.914 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.222 2.579 -15.278 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.257 2.998 -13.577 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.479 4.867 -14.549 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.546 4.667 -15.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.332 6.402 -14.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.445 5.121 -14.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.412 5.315 -13.151 1.00 0.00 H new ATOM 1605 N GLU A 98 -3.565 3.324 -9.475 1.00 0.00 N ATOM 1606 CA GLU A 98 -4.326 3.093 -8.250 1.00 0.00 C ATOM 1607 C GLU A 98 -5.727 3.700 -8.376 1.00 0.00 C ATOM 1608 O GLU A 98 -6.679 3.229 -7.754 1.00 0.00 O ATOM 1609 CB GLU A 98 -3.578 3.687 -7.051 1.00 0.00 C ATOM 1610 CG GLU A 98 -3.483 5.204 -7.078 1.00 0.00 C ATOM 1611 CD GLU A 98 -3.550 5.819 -5.693 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -3.643 5.057 -4.707 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -3.507 7.063 -5.595 1.00 0.00 O ATOM 0 H GLU A 98 -2.705 3.857 -9.344 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.434 2.020 -8.092 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.079 3.380 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.572 3.270 -7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.548 5.497 -7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.293 5.604 -7.688 1.00 0.00 H new ATOM 1620 N GLY A 99 -5.839 4.737 -9.209 1.00 0.00 N ATOM 1621 CA GLY A 99 -7.119 5.390 -9.439 1.00 0.00 C ATOM 1622 C GLY A 99 -7.743 5.978 -8.188 1.00 0.00 C ATOM 1623 O GLY A 99 -8.962 5.935 -8.022 1.00 0.00 O ATOM 0 H GLY A 99 -5.060 5.137 -9.731 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.984 6.184 -10.173 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.811 4.668 -9.874 1.00 0.00 H new ATOM 1627 N GLN A 100 -6.920 6.534 -7.308 1.00 0.00 N ATOM 1628 CA GLN A 100 -7.421 7.133 -6.076 1.00 0.00 C ATOM 1629 C GLN A 100 -6.669 8.417 -5.733 1.00 0.00 C ATOM 1630 O GLN A 100 -5.574 8.380 -5.175 1.00 0.00 O ATOM 1631 CB GLN A 100 -7.328 6.130 -4.928 1.00 0.00 C ATOM 1632 CG GLN A 100 -8.490 5.151 -4.882 1.00 0.00 C ATOM 1633 CD GLN A 100 -8.263 4.021 -3.898 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -7.791 4.239 -2.783 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -8.599 2.803 -4.308 1.00 0.00 N ATOM 0 H GLN A 100 -5.908 6.583 -7.423 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.467 7.397 -6.230 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -6.396 5.572 -5.019 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.284 6.673 -3.984 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.400 5.686 -4.611 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.649 4.735 -5.877 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.987 2.668 -5.241 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.469 2.003 -3.689 1.00 0.00 H new ATOM 1644 N PRO A 101 -7.263 9.576 -6.066 1.00 0.00 N ATOM 1645 CA PRO A 101 -6.666 10.890 -5.797 1.00 0.00 C ATOM 1646 C PRO A 101 -6.055 10.991 -4.399 1.00 0.00 C ATOM 1647 O PRO A 101 -6.690 10.628 -3.408 1.00 0.00 O ATOM 1648 CB PRO A 101 -7.867 11.819 -5.913 1.00 0.00 C ATOM 1649 CG PRO A 101 -8.735 11.180 -6.936 1.00 0.00 C ATOM 1650 CD PRO A 101 -8.574 9.698 -6.741 1.00 0.00 C ATOM 0 HA PRO A 101 -5.843 11.116 -6.475 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.385 11.919 -4.959 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.566 12.821 -6.218 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.775 11.480 -6.809 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.438 11.477 -7.942 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.378 9.284 -6.133 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.587 9.165 -7.692 1.00 0.00 H new ATOM 1658 N GLY A 102 -4.821 11.487 -4.326 1.00 0.00 N ATOM 1659 CA GLY A 102 -4.149 11.625 -3.044 1.00 0.00 C ATOM 1660 C GLY A 102 -3.459 12.967 -2.870 1.00 0.00 C ATOM 1661 O GLY A 102 -3.454 13.797 -3.778 1.00 0.00 O ATOM 0 H GLY A 102 -4.275 11.795 -5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.877 11.492 -2.244 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.412 10.829 -2.940 1.00 0.00 H new ATOM 1665 N GLU A 103 -2.871 13.173 -1.693 1.00 0.00 N ATOM 1666 CA GLU A 103 -2.159 14.412 -1.385 1.00 0.00 C ATOM 1667 C GLU A 103 -1.080 14.161 -0.333 1.00 0.00 C ATOM 1668 O GLU A 103 -1.252 13.317 0.548 1.00 0.00 O ATOM 1669 CB GLU A 103 -3.137 15.479 -0.886 1.00 0.00 C ATOM 1670 CG GLU A 103 -2.506 16.851 -0.717 1.00 0.00 C ATOM 1671 CD GLU A 103 -3.202 17.921 -1.534 1.00 0.00 C ATOM 1672 OE1 GLU A 103 -3.725 17.592 -2.620 1.00 0.00 O ATOM 1673 OE2 GLU A 103 -3.225 19.087 -1.090 1.00 0.00 O ATOM 0 H GLU A 103 -2.874 12.493 -0.933 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.683 14.770 -2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.968 15.554 -1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.554 15.160 0.069 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.531 17.130 0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.457 16.802 -1.009 1.00 0.00 H new ATOM 1680 N TRP A 104 0.033 14.892 -0.420 1.00 0.00 N ATOM 1681 CA TRP A 104 1.124 14.722 0.546 1.00 0.00 C ATOM 1682 C TRP A 104 0.615 14.995 1.960 1.00 0.00 C ATOM 1683 O TRP A 104 0.373 16.143 2.331 1.00 0.00 O ATOM 1684 CB TRP A 104 2.318 15.656 0.228 1.00 0.00 C ATOM 1685 CG TRP A 104 2.188 16.413 -1.062 1.00 0.00 C ATOM 1686 CD1 TRP A 104 2.640 16.024 -2.290 1.00 0.00 C ATOM 1687 CD2 TRP A 104 1.563 17.687 -1.249 1.00 0.00 C ATOM 1688 NE1 TRP A 104 2.336 16.980 -3.229 1.00 0.00 N ATOM 1689 CE2 TRP A 104 1.674 18.010 -2.615 1.00 0.00 C ATOM 1690 CE3 TRP A 104 0.919 18.588 -0.394 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 1.165 19.194 -3.143 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 0.416 19.762 -0.920 1.00 0.00 C ATOM 1693 CH2 TRP A 104 0.541 20.056 -2.284 1.00 0.00 C ATOM 0 H TRP A 104 0.203 15.597 -1.137 1.00 0.00 H new ATOM 0 HA TRP A 104 1.475 13.693 0.475 1.00 0.00 H new ATOM 0 HB2 TRP A 104 2.432 16.370 1.044 1.00 0.00 H new ATOM 0 HB3 TRP A 104 3.230 15.061 0.195 1.00 0.00 H new ATOM 0 HD1 TRP A 104 3.160 15.100 -2.494 1.00 0.00 H new ATOM 0 HE1 TRP A 104 2.566 16.931 -4.222 1.00 0.00 H new ATOM 0 HE3 TRP A 104 0.817 18.369 0.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 1.260 19.423 -4.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -0.082 20.465 -0.269 1.00 0.00 H new ATOM 0 HH2 TRP A 104 0.136 20.982 -2.665 1.00 0.00 H new ATOM 1704 N MET A 105 0.451 13.932 2.748 1.00 0.00 N ATOM 1705 CA MET A 105 -0.033 14.066 4.120 1.00 0.00 C ATOM 1706 C MET A 105 0.981 13.527 5.122 1.00 0.00 C ATOM 1707 O MET A 105 1.741 12.609 4.820 1.00 0.00 O ATOM 1708 CB MET A 105 -1.383 13.360 4.288 1.00 0.00 C ATOM 1709 CG MET A 105 -1.283 11.850 4.440 1.00 0.00 C ATOM 1710 SD MET A 105 -1.052 11.337 6.153 1.00 0.00 S ATOM 1711 CE MET A 105 -2.745 11.333 6.737 1.00 0.00 C ATOM 0 H MET A 105 0.646 12.973 2.460 1.00 0.00 H new ATOM 0 HA MET A 105 -0.169 15.129 4.322 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.888 13.769 5.163 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.008 13.586 3.424 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.188 11.389 4.046 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.451 11.483 3.840 1.00 0.00 H new ATOM 0 HE1 MET A 105 -2.768 11.035 7.785 1.00 0.00 H new ATOM 0 HE2 MET A 105 -3.167 12.333 6.635 1.00 0.00 H new ATOM 0 HE3 MET A 105 -3.332 10.629 6.147 1.00 0.00 H new ATOM 1721 N SER A 106 0.985 14.107 6.319 1.00 0.00 N ATOM 1722 CA SER A 106 1.906 13.689 7.370 1.00 0.00 C ATOM 1723 C SER A 106 1.498 12.339 7.954 1.00 0.00 C ATOM 1724 O SER A 106 0.424 12.202 8.539 1.00 0.00 O ATOM 1725 CB SER A 106 1.958 14.741 8.479 1.00 0.00 C ATOM 1726 OG SER A 106 0.697 15.364 8.651 1.00 0.00 O ATOM 0 H SER A 106 0.360 14.868 6.585 1.00 0.00 H new ATOM 0 HA SER A 106 2.896 13.586 6.927 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.266 14.273 9.414 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.709 15.493 8.236 1.00 0.00 H new ATOM 0 HG SER A 106 0.757 16.031 9.367 1.00 0.00 H new ATOM 1732 N LEU A 107 2.366 11.346 7.792 1.00 0.00 N ATOM 1733 CA LEU A 107 2.101 10.003 8.304 1.00 0.00 C ATOM 1734 C LEU A 107 2.082 9.981 9.832 1.00 0.00 C ATOM 1735 O LEU A 107 1.560 9.046 10.441 1.00 0.00 O ATOM 1736 CB LEU A 107 3.149 9.018 7.784 1.00 0.00 C ATOM 1737 CG LEU A 107 2.612 7.628 7.433 1.00 0.00 C ATOM 1738 CD1 LEU A 107 2.187 6.886 8.691 1.00 0.00 C ATOM 1739 CD2 LEU A 107 1.449 7.735 6.458 1.00 0.00 C ATOM 0 H LEU A 107 3.260 11.444 7.310 1.00 0.00 H new ATOM 0 HA LEU A 107 1.116 9.703 7.947 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.618 9.444 6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.930 8.910 8.537 1.00 0.00 H new ATOM 0 HG LEU A 107 3.411 7.062 6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.808 5.900 8.421 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.044 6.776 9.356 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.404 7.449 9.199 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.081 6.737 6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.648 8.319 6.910 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.784 8.225 5.544 1.00 0.00 H new ATOM 1751 N VAL A 108 2.660 11.008 10.448 1.00 0.00 N ATOM 1752 CA VAL A 108 2.716 11.103 11.904 1.00 0.00 C ATOM 1753 C VAL A 108 1.326 11.033 12.541 1.00 0.00 C ATOM 1754 O VAL A 108 1.202 10.860 13.753 1.00 0.00 O ATOM 1755 CB VAL A 108 3.408 12.406 12.351 1.00 0.00 C ATOM 1756 CG1 VAL A 108 2.616 13.623 11.894 1.00 0.00 C ATOM 1757 CG2 VAL A 108 3.601 12.422 13.860 1.00 0.00 C ATOM 0 H VAL A 108 3.098 11.789 9.960 1.00 0.00 H new ATOM 0 HA VAL A 108 3.297 10.246 12.244 1.00 0.00 H new ATOM 0 HB VAL A 108 4.391 12.447 11.882 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.123 14.531 12.221 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.541 13.621 10.807 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.616 13.590 12.327 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.091 13.350 14.154 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.631 12.352 14.352 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.220 11.575 14.157 1.00 0.00 H new ATOM 1767 N GLY A 109 0.282 11.166 11.726 1.00 0.00 N ATOM 1768 CA GLY A 109 -1.071 11.110 12.241 1.00 0.00 C ATOM 1769 C GLY A 109 -1.962 10.219 11.404 1.00 0.00 C ATOM 1770 O GLY A 109 -3.039 10.627 10.969 1.00 0.00 O ATOM 0 H GLY A 109 0.352 11.311 10.719 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.053 10.743 13.267 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.489 12.116 12.270 1.00 0.00 H new ATOM 1774 N LEU A 110 -1.503 8.996 11.183 1.00 0.00 N ATOM 1775 CA LEU A 110 -2.248 8.021 10.393 1.00 0.00 C ATOM 1776 C LEU A 110 -3.591 7.716 11.058 1.00 0.00 C ATOM 1777 O LEU A 110 -3.662 7.475 12.263 1.00 0.00 O ATOM 1778 CB LEU A 110 -1.399 6.750 10.230 1.00 0.00 C ATOM 1779 CG LEU A 110 -2.155 5.420 10.164 1.00 0.00 C ATOM 1780 CD1 LEU A 110 -2.543 4.957 11.562 1.00 0.00 C ATOM 1781 CD2 LEU A 110 -3.381 5.522 9.266 1.00 0.00 C ATOM 0 H LEU A 110 -0.612 8.652 11.541 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.458 8.428 9.404 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.808 6.851 9.320 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.697 6.701 11.062 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.489 4.677 9.727 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.079 4.010 11.496 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.644 4.823 12.164 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.184 5.705 12.028 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.895 4.561 9.241 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.056 6.284 9.656 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -3.071 5.794 8.257 1.00 0.00 H new ATOM 1793 N ASN A 111 -4.661 7.752 10.261 1.00 0.00 N ATOM 1794 CA ASN A 111 -6.004 7.502 10.769 1.00 0.00 C ATOM 1795 C ASN A 111 -6.625 6.248 10.161 1.00 0.00 C ATOM 1796 O ASN A 111 -6.958 6.216 8.977 1.00 0.00 O ATOM 1797 CB ASN A 111 -6.896 8.716 10.492 1.00 0.00 C ATOM 1798 CG ASN A 111 -7.340 9.415 11.761 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -8.485 9.849 11.876 1.00 0.00 O ATOM 1800 ND2 ASN A 111 -6.431 9.532 12.722 1.00 0.00 N ATOM 0 H ASN A 111 -4.620 7.952 9.262 1.00 0.00 H new ATOM 0 HA ASN A 111 -5.925 7.337 11.844 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.356 9.423 9.862 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -7.774 8.396 9.931 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -6.671 9.997 13.598 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -5.492 9.157 12.585 1.00 0.00 H new ATOM 1807 N ALA A 112 -6.795 5.222 10.993 1.00 0.00 N ATOM 1808 CA ALA A 112 -7.398 3.969 10.552 1.00 0.00 C ATOM 1809 C ALA A 112 -8.900 4.140 10.326 1.00 0.00 C ATOM 1810 O ALA A 112 -9.544 3.302 9.695 1.00 0.00 O ATOM 1811 CB ALA A 112 -7.144 2.862 11.567 1.00 0.00 C ATOM 0 H ALA A 112 -6.523 5.235 11.976 1.00 0.00 H new ATOM 0 HA ALA A 112 -6.934 3.688 9.606 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.602 1.937 11.218 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.070 2.714 11.683 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.577 3.142 12.527 1.00 0.00 H new ATOM 1817 N ASP A 113 -9.458 5.228 10.854 1.00 0.00 N ATOM 1818 CA ASP A 113 -10.882 5.503 10.708 1.00 0.00 C ATOM 1819 C ASP A 113 -11.182 6.074 9.324 1.00 0.00 C ATOM 1820 O ASP A 113 -12.132 5.657 8.662 1.00 0.00 O ATOM 1821 CB ASP A 113 -11.383 6.468 11.796 1.00 0.00 C ATOM 1822 CG ASP A 113 -10.274 7.077 12.635 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -9.458 6.312 13.191 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -10.224 8.321 12.739 1.00 0.00 O ATOM 0 H ASP A 113 -8.945 5.931 11.386 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.411 4.557 10.823 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -11.950 7.270 11.324 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.071 5.935 12.452 1.00 0.00 H new ATOM 1829 N ASP A 114 -10.367 7.036 8.895 1.00 0.00 N ATOM 1830 CA ASP A 114 -10.550 7.668 7.593 1.00 0.00 C ATOM 1831 C ASP A 114 -10.145 6.734 6.454 1.00 0.00 C ATOM 1832 O ASP A 114 -10.516 6.955 5.302 1.00 0.00 O ATOM 1833 CB ASP A 114 -9.740 8.961 7.513 1.00 0.00 C ATOM 1834 CG ASP A 114 -10.620 10.194 7.455 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -11.139 10.604 8.514 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -10.793 10.749 6.349 1.00 0.00 O ATOM 0 H ASP A 114 -9.575 7.393 9.430 1.00 0.00 H new ATOM 0 HA ASP A 114 -11.610 7.896 7.484 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.082 9.028 8.380 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -9.102 8.932 6.630 1.00 0.00 H new ATOM 1841 N PHE A 115 -9.379 5.695 6.774 1.00 0.00 N ATOM 1842 CA PHE A 115 -8.931 4.748 5.762 1.00 0.00 C ATOM 1843 C PHE A 115 -9.777 3.475 5.790 1.00 0.00 C ATOM 1844 O PHE A 115 -10.477 3.207 6.768 1.00 0.00 O ATOM 1845 CB PHE A 115 -7.430 4.455 5.943 1.00 0.00 C ATOM 1846 CG PHE A 115 -7.082 3.137 6.574 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -7.799 2.650 7.649 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -6.012 2.395 6.097 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -7.460 1.451 8.240 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -5.671 1.195 6.680 1.00 0.00 C ATOM 1851 CZ PHE A 115 -6.394 0.724 7.753 1.00 0.00 C ATOM 0 H PHE A 115 -9.058 5.489 7.720 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.066 5.191 4.775 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -6.951 4.503 4.965 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -6.997 5.250 6.550 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.636 3.215 8.032 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.439 2.763 5.258 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.028 1.082 9.082 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.838 0.624 6.296 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.126 -0.215 8.214 1.00 0.00 H new ATOM 1861 N PRO A 116 -9.735 2.676 4.710 1.00 0.00 N ATOM 1862 CA PRO A 116 -10.510 1.434 4.617 1.00 0.00 C ATOM 1863 C PRO A 116 -10.218 0.477 5.770 1.00 0.00 C ATOM 1864 O PRO A 116 -9.060 0.156 6.040 1.00 0.00 O ATOM 1865 CB PRO A 116 -10.064 0.818 3.283 1.00 0.00 C ATOM 1866 CG PRO A 116 -8.812 1.540 2.912 1.00 0.00 C ATOM 1867 CD PRO A 116 -8.939 2.915 3.498 1.00 0.00 C ATOM 0 HA PRO A 116 -11.582 1.626 4.670 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -9.885 -0.252 3.385 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -10.830 0.941 2.518 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.935 1.027 3.306 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -8.695 1.587 1.829 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.966 3.348 3.731 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -9.438 3.602 2.815 1.00 0.00 H new ATOM 1875 N PRO A 117 -11.267 -0.003 6.465 1.00 0.00 N ATOM 1876 CA PRO A 117 -11.106 -0.935 7.586 1.00 0.00 C ATOM 1877 C PRO A 117 -10.540 -2.278 7.138 1.00 0.00 C ATOM 1878 O PRO A 117 -10.057 -3.062 7.955 1.00 0.00 O ATOM 1879 CB PRO A 117 -12.530 -1.106 8.123 1.00 0.00 C ATOM 1880 CG PRO A 117 -13.416 -0.746 6.982 1.00 0.00 C ATOM 1881 CD PRO A 117 -12.683 0.314 6.211 1.00 0.00 C ATOM 0 HA PRO A 117 -10.403 -0.560 8.330 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.707 -2.130 8.453 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -12.709 -0.459 8.982 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.619 -1.615 6.356 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.378 -0.377 7.336 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.920 0.275 5.148 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -12.940 1.315 6.558 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.600 -2.537 5.835 1.00 0.00 N ATOM 1890 CA ALA A 118 -10.090 -3.784 5.280 1.00 0.00 C ATOM 1891 C ALA A 118 -8.588 -3.916 5.501 1.00 0.00 C ATOM 1892 O ALA A 118 -8.033 -5.010 5.404 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.421 -3.875 3.798 1.00 0.00 C ATOM 0 H ALA A 118 -10.997 -1.899 5.145 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.576 -4.609 5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -10.034 -4.811 3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.502 -3.841 3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.964 -3.037 3.271 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.935 -2.797 5.794 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.497 -2.791 6.022 1.00 0.00 C ATOM 1901 C ASN A 119 -6.165 -2.372 7.455 1.00 0.00 C ATOM 1902 O ASN A 119 -5.010 -2.091 7.776 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.829 -1.835 5.034 1.00 0.00 C ATOM 1904 CG ASN A 119 -4.913 -2.552 4.063 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -4.947 -2.303 2.859 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -4.086 -3.450 4.586 1.00 0.00 N ATOM 0 H ASN A 119 -8.380 -1.883 5.879 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.120 -3.803 5.871 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -6.597 -1.299 4.476 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -5.257 -1.089 5.585 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -3.445 -3.965 3.983 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -4.092 -3.624 5.591 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.186 -2.326 8.313 1.00 0.00 N ATOM 1914 CA GLU A 120 -7.004 -1.932 9.707 1.00 0.00 C ATOM 1915 C GLU A 120 -6.062 -2.872 10.465 1.00 0.00 C ATOM 1916 O GLU A 120 -5.344 -2.433 11.348 1.00 0.00 O ATOM 1917 CB GLU A 120 -8.355 -1.860 10.422 1.00 0.00 C ATOM 1918 CG GLU A 120 -8.627 -0.512 11.069 1.00 0.00 C ATOM 1919 CD GLU A 120 -9.432 -0.629 12.349 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -10.094 -1.671 12.540 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -9.399 0.321 13.159 1.00 0.00 O ATOM 0 H GLU A 120 -8.148 -2.557 8.064 1.00 0.00 H new ATOM 0 HA GLU A 120 -6.541 -0.945 9.698 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.148 -2.077 9.706 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.394 -2.636 11.187 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.679 -0.019 11.285 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -9.163 0.123 10.364 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.054 -4.180 10.161 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.193 -5.139 10.863 1.00 0.00 C ATOM 1930 C PRO A 121 -3.753 -4.661 11.068 1.00 0.00 C ATOM 1931 O PRO A 121 -3.216 -4.765 12.171 1.00 0.00 O ATOM 1932 CB PRO A 121 -5.209 -6.342 9.930 1.00 0.00 C ATOM 1933 CG PRO A 121 -6.564 -6.305 9.316 1.00 0.00 C ATOM 1934 CD PRO A 121 -6.892 -4.848 9.139 1.00 0.00 C ATOM 0 HA PRO A 121 -5.556 -5.324 11.874 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.427 -6.271 9.174 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.043 -7.271 10.475 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -6.575 -6.828 8.359 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.297 -6.796 9.956 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.652 -4.502 8.134 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.952 -4.653 9.299 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.127 -4.147 10.012 1.00 0.00 N ATOM 1943 CA VAL A 122 -1.746 -3.672 10.105 1.00 0.00 C ATOM 1944 C VAL A 122 -1.681 -2.291 10.745 1.00 0.00 C ATOM 1945 O VAL A 122 -0.970 -2.077 11.727 1.00 0.00 O ATOM 1946 CB VAL A 122 -1.063 -3.605 8.717 1.00 0.00 C ATOM 1947 CG1 VAL A 122 0.354 -4.153 8.791 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -1.869 -4.344 7.656 1.00 0.00 C ATOM 0 H VAL A 122 -3.549 -4.049 9.088 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.216 -4.393 10.727 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.018 -2.556 8.423 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.817 -4.098 7.806 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.936 -3.563 9.499 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.326 -5.192 9.121 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.357 -4.274 6.696 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -1.968 -5.392 7.939 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.859 -3.895 7.573 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.433 -1.356 10.175 1.00 0.00 N ATOM 1959 CA ILE A 123 -2.490 0.015 10.659 1.00 0.00 C ATOM 1960 C ILE A 123 -3.014 0.076 12.087 1.00 0.00 C ATOM 1961 O ILE A 123 -2.697 0.986 12.832 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.364 0.889 9.736 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.677 1.057 8.373 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.641 2.241 10.374 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -1.958 2.381 8.204 1.00 0.00 C ATOM 0 H ILE A 123 -3.022 -1.530 9.361 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.473 0.407 10.651 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.322 0.391 9.586 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.961 0.246 8.236 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.425 0.958 7.586 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.259 2.839 9.705 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.164 2.097 11.319 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.698 2.757 10.556 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.499 2.422 7.216 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.672 3.198 8.307 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.185 2.475 8.967 1.00 0.00 H new ATOM 1977 N ALA A 124 -3.803 -0.917 12.454 1.00 0.00 N ATOM 1978 CA ALA A 124 -4.355 -0.990 13.800 1.00 0.00 C ATOM 1979 C ALA A 124 -3.219 -0.911 14.813 1.00 0.00 C ATOM 1980 O ALA A 124 -3.300 -0.195 15.812 1.00 0.00 O ATOM 1981 CB ALA A 124 -5.153 -2.271 13.991 1.00 0.00 C ATOM 0 H ALA A 124 -4.078 -1.685 11.842 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.035 -0.151 13.952 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.555 -2.302 15.004 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.974 -2.299 13.274 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.503 -3.132 13.832 1.00 0.00 H new ATOM 1987 N LYS A 125 -2.177 -1.689 14.551 1.00 0.00 N ATOM 1988 CA LYS A 125 -1.028 -1.756 15.444 1.00 0.00 C ATOM 1989 C LYS A 125 -0.459 -0.366 15.707 1.00 0.00 C ATOM 1990 O LYS A 125 -0.294 0.037 16.859 1.00 0.00 O ATOM 1991 CB LYS A 125 0.055 -2.659 14.850 1.00 0.00 C ATOM 1992 CG LYS A 125 -0.044 -4.106 15.303 1.00 0.00 C ATOM 1993 CD LYS A 125 0.928 -4.403 16.434 1.00 0.00 C ATOM 1994 CE LYS A 125 0.538 -3.673 17.709 1.00 0.00 C ATOM 1995 NZ LYS A 125 -0.601 -4.337 18.402 1.00 0.00 N ATOM 0 H LYS A 125 -2.104 -2.284 13.725 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.362 -2.176 16.392 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.009 -2.622 13.763 1.00 0.00 H new ATOM 0 HB3 LYS A 125 1.034 -2.267 15.125 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.062 -4.317 15.632 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.163 -4.767 14.461 1.00 0.00 H new ATOM 0 HD2 LYS A 125 0.953 -5.477 16.621 1.00 0.00 H new ATOM 0 HD3 LYS A 125 1.934 -4.107 16.137 1.00 0.00 H new ATOM 0 HE2 LYS A 125 1.396 -3.630 18.380 1.00 0.00 H new ATOM 0 HE3 LYS A 125 0.268 -2.644 17.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -0.837 -3.809 19.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -1.428 -4.356 17.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -0.335 -5.311 18.653 1.00 0.00 H new ATOM 2009 N LEU A 126 -0.157 0.364 14.643 1.00 0.00 N ATOM 2010 CA LEU A 126 0.401 1.714 14.771 1.00 0.00 C ATOM 2011 C LEU A 126 -0.687 2.736 15.097 1.00 0.00 C ATOM 2012 O LEU A 126 -0.496 3.624 15.925 1.00 0.00 O ATOM 2013 CB LEU A 126 1.121 2.113 13.482 1.00 0.00 C ATOM 2014 CG LEU A 126 2.292 3.078 13.669 1.00 0.00 C ATOM 2015 CD1 LEU A 126 3.510 2.340 14.203 1.00 0.00 C ATOM 2016 CD2 LEU A 126 2.622 3.776 12.359 1.00 0.00 C ATOM 0 H LEU A 126 -0.286 0.050 13.681 1.00 0.00 H new ATOM 0 HA LEU A 126 1.115 1.704 15.594 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.488 1.210 12.994 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.398 2.569 12.806 1.00 0.00 H new ATOM 0 HG LEU A 126 2.002 3.835 14.398 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.334 3.042 14.330 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.268 1.887 15.164 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.802 1.562 13.498 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.458 4.459 12.511 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.892 3.033 11.609 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.753 4.337 12.017 1.00 0.00 H new ATOM 2028 N LYS A 127 -1.809 2.615 14.402 1.00 0.00 N ATOM 2029 CA LYS A 127 -2.937 3.528 14.564 1.00 0.00 C ATOM 2030 C LYS A 127 -3.299 3.680 16.027 1.00 0.00 C ATOM 2031 O LYS A 127 -3.561 4.784 16.504 1.00 0.00 O ATOM 2032 CB LYS A 127 -4.143 3.006 13.797 1.00 0.00 C ATOM 2033 CG LYS A 127 -5.443 3.738 14.104 1.00 0.00 C ATOM 2034 CD LYS A 127 -6.515 2.789 14.615 1.00 0.00 C ATOM 2035 CE LYS A 127 -7.822 3.516 14.890 1.00 0.00 C ATOM 2036 NZ LYS A 127 -8.190 3.473 16.332 1.00 0.00 N ATOM 0 H LYS A 127 -1.965 1.882 13.710 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.646 4.502 14.170 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.940 3.081 12.729 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.273 1.948 14.023 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -5.258 4.512 14.848 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -5.800 4.239 13.204 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -6.684 2.001 13.881 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -6.168 2.305 15.528 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -7.734 4.554 14.569 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -8.619 3.066 14.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -9.087 3.980 16.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -8.299 2.484 16.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -7.442 3.926 16.895 1.00 0.00 H new ATOM 2050 N ARG A 128 -3.294 2.568 16.741 1.00 0.00 N ATOM 2051 CA ARG A 128 -3.603 2.589 18.161 1.00 0.00 C ATOM 2052 C ARG A 128 -2.554 3.416 18.901 1.00 0.00 C ATOM 2053 O ARG A 128 -2.716 3.740 20.077 1.00 0.00 O ATOM 2054 CB ARG A 128 -3.648 1.160 18.711 1.00 0.00 C ATOM 2055 CG ARG A 128 -3.744 1.082 20.227 1.00 0.00 C ATOM 2056 CD ARG A 128 -3.706 -0.358 20.717 1.00 0.00 C ATOM 2057 NE ARG A 128 -4.849 -0.677 21.570 1.00 0.00 N ATOM 2058 CZ ARG A 128 -4.883 -1.713 22.407 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -3.842 -2.530 22.506 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -5.961 -1.930 23.148 1.00 0.00 N ATOM 0 H ARG A 128 -3.081 1.644 16.364 1.00 0.00 H new ATOM 0 HA ARG A 128 -4.581 3.045 18.311 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -4.502 0.641 18.276 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -2.753 0.629 18.386 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -2.921 1.641 20.674 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -4.668 1.556 20.559 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -3.694 -1.032 19.860 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -2.782 -0.528 21.270 1.00 0.00 H new ATOM 0 HE ARG A 128 -5.668 -0.071 21.522 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -3.010 -2.367 21.939 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -3.874 -3.321 23.149 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -6.763 -1.304 23.077 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -5.988 -2.723 23.789 1.00 0.00 H new ATOM 2074 N LEU A 129 -1.479 3.766 18.187 1.00 0.00 N ATOM 2075 CA LEU A 129 -0.395 4.568 18.751 1.00 0.00 C ATOM 2076 C LEU A 129 -0.033 4.108 20.162 1.00 0.00 C ATOM 2077 O LEU A 129 -0.288 2.965 20.537 1.00 0.00 O ATOM 2078 CB LEU A 129 -0.785 6.050 18.767 1.00 0.00 C ATOM 2079 CG LEU A 129 -1.468 6.559 17.490 1.00 0.00 C ATOM 2080 CD1 LEU A 129 -2.864 7.077 17.801 1.00 0.00 C ATOM 2081 CD2 LEU A 129 -0.633 7.648 16.827 1.00 0.00 C ATOM 0 H LEU A 129 -1.339 3.503 17.212 1.00 0.00 H new ATOM 0 HA LEU A 129 0.482 4.433 18.118 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.452 6.225 19.611 1.00 0.00 H new ATOM 0 HB3 LEU A 129 0.112 6.644 18.942 1.00 0.00 H new ATOM 0 HG LEU A 129 -1.555 5.723 16.795 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -3.333 7.434 16.884 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -3.464 6.273 18.226 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -2.797 7.897 18.516 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.136 7.994 15.924 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -0.511 8.483 17.517 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.346 7.247 16.565 1.00 0.00 H new TER 2093 LEU A 129 HETATM 2094 MG MG A 130 -2.753 -3.100 -9.607 1.00 0.00 MG HETATM 2095 OP3 8OG A 131 -11.023 -6.239 -7.489 1.00 20.00 O HETATM 2096 P 8OG A 131 -10.291 -6.968 -6.255 1.00 20.00 P HETATM 2097 OP1 8OG A 131 -9.492 -8.096 -6.781 1.00 20.00 O HETATM 2098 OP2 8OG A 131 -11.302 -7.230 -5.207 1.00 20.00 O HETATM 2099 O5' 8OG A 131 -9.287 -5.823 -5.730 1.00 20.00 O HETATM 2100 C5' 8OG A 131 -8.260 -6.149 -4.791 1.00 20.00 C HETATM 2101 C4' 8OG A 131 -8.857 -6.704 -3.496 1.00 20.00 C HETATM 2102 O4' 8OG A 131 -9.647 -7.898 -3.544 1.00 20.00 O HETATM 2103 C3' 8OG A 131 -7.779 -7.062 -2.471 1.00 20.00 C HETATM 2104 O3' 8OG A 131 -7.871 -6.242 -1.303 1.00 20.00 O HETATM 2105 C2' 8OG A 131 -7.954 -8.547 -2.133 1.00 20.00 C HETATM 2106 C1' 8OG A 131 -9.135 -9.094 -2.941 1.00 20.00 C HETATM 2107 N9 8OG A 131 -8.920 -10.388 -3.626 1.00 20.00 N HETATM 2108 C8 8OG A 131 -7.867 -10.575 -4.482 1.00 20.00 C HETATM 2109 N7 8OG A 131 -8.000 -11.870 -4.908 1.00 20.00 N HETATM 2110 C5 8OG A 131 -9.093 -12.473 -4.343 1.00 20.00 C HETATM 2111 C6 8OG A 131 -9.657 -13.698 -4.421 1.00 20.00 C HETATM 2112 O6 8OG A 131 -9.114 -14.574 -5.179 1.00 20.00 O HETATM 2113 N1 8OG A 131 -10.803 -14.050 -3.715 1.00 20.00 N HETATM 2114 C2 8OG A 131 -11.368 -13.098 -2.910 1.00 20.00 C HETATM 2115 N2 8OG A 131 -12.472 -13.440 -2.231 1.00 20.00 N HETATM 2116 N3 8OG A 131 -10.862 -11.802 -2.760 1.00 20.00 N HETATM 2117 C4 8OG A 131 -9.692 -11.540 -3.521 1.00 20.00 C HETATM 2118 O8 8OG A 131 -6.963 -9.731 -4.809 1.00 20.00 O HETATM 0 HO3' 8OG A 131 -8.813 -6.113 -1.067 1.00 20.00 H new HETATM 0 H5'' 8OG A 131 -7.583 -6.883 -5.227 1.00 20.00 H new HETATM 0 H2'' 8OG A 131 -7.045 -9.099 -2.370 1.00 20.00 H new HETATM 0 H7 8OG A 131 -7.366 -12.327 -5.563 1.00 20.00 H new HETATM 0 H5' 8OG A 131 -7.668 -5.261 -4.571 1.00 20.00 H new HETATM 0 H4' 8OG A 131 -9.505 -5.864 -3.246 1.00 20.00 H new HETATM 0 H3' 8OG A 131 -6.787 -6.881 -2.884 1.00 20.00 H new HETATM 0 H22 8OG A 131 -12.925 -12.761 -1.619 1.00 20.00 H new HETATM 0 H21 8OG A 131 -12.859 -14.379 -2.326 1.00 20.00 H new HETATM 0 H2' 8OG A 131 -8.134 -8.674 -1.066 1.00 20.00 H new HETATM 0 H1' 8OG A 131 -9.965 -9.564 -2.413 1.00 20.00 H new HETATM 0 H1 8OG A 131 -11.207 -14.983 -3.794 1.00 20.00 H new HETATM 2131 O HOH A5203 -4.509 -3.751 -10.579 1.00 0.00 O HETATM 2132 O HOH A5204 -3.841 -1.549 -8.679 1.00 0.00 O