USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 SER OG : rot 89:sc= 0.0698 USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0.0709 USER MOD Single : A 1 VAL N :NH3+ 165:sc= 1.14 (180deg=0.732) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0134 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 8 LYS NZ :NH3+ -147:sc= 1.28 (180deg=0.00504) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 49:sc= 0.44 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.2) USER MOD Single : A 35 THR OG1 : rot 86:sc= 1.15 USER MOD Single : A 39 ASN : amide:sc= -0.866 X(o=-0.87,f=-0.95) USER MOD Single : A 41 LYS NZ :NH3+ -112:sc= 1.21 (180deg=0.253) USER MOD Single : A 43 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.379) USER MOD Single : A 48 ASN : amide:sc= 0.52 K(o=0.52,f=-0.95) USER MOD Single : A 49 MET CE :methyl -167:sc= -0.018 (180deg=-0.329) USER MOD Single : A 50 LYS NZ :NH3+ -175:sc=-0.00518 (180deg=-0.0668) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 152:sc= 1.22 (180deg=0.87) USER MOD Single : A 64 LYS NZ :NH3+ -141:sc= 1.31 (180deg=-0.42) USER MOD Single : A 65 SER OG : rot -172:sc= 1.24 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 71 LYS NZ :NH3+ 134:sc= 1.29 (180deg=1.05) USER MOD Single : A 73 TYR OH : rot 0:sc= -0.0384 USER MOD Single : A 79 GLN : amide:sc= 0.427 X(o=0.43,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -78:sc= 0.935 USER MOD Single : A 86 SER OG : rot 2:sc= 0.00231 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -10.492 10.941 -2.615 1.00 0.00 N ATOM 2 CA VAL A 1 -10.902 10.533 -1.253 1.00 0.00 C ATOM 3 C VAL A 1 -10.003 9.527 -0.619 1.00 0.00 C ATOM 4 O VAL A 1 -10.142 8.314 -0.772 1.00 0.00 O ATOM 5 CB VAL A 1 -12.338 10.108 -1.185 1.00 0.00 C ATOM 6 CG1 VAL A 1 -13.245 11.343 -1.055 1.00 0.00 C ATOM 7 CG2 VAL A 1 -12.759 9.249 -2.390 1.00 0.00 C ATOM 0 H1 VAL A 1 -11.280 11.433 -3.082 1.00 0.00 H new ATOM 0 H2 VAL A 1 -9.673 11.579 -2.554 1.00 0.00 H new ATOM 0 H3 VAL A 1 -10.234 10.098 -3.167 1.00 0.00 H new ATOM 0 HA VAL A 1 -10.799 11.439 -0.656 1.00 0.00 H new ATOM 0 HB VAL A 1 -12.450 9.480 -0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -14.287 11.026 -1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -12.989 11.889 -0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -13.103 11.991 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -13.808 8.969 -2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -12.622 9.819 -3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -12.146 8.349 -2.427 1.00 0.00 H new ATOM 19 N SER A 2 -9.046 10.007 0.195 1.00 0.00 N ATOM 20 CA SER A 2 -8.216 9.291 1.113 1.00 0.00 C ATOM 21 C SER A 2 -8.995 8.532 2.132 1.00 0.00 C ATOM 22 O SER A 2 -8.618 7.429 2.524 1.00 0.00 O ATOM 23 CB SER A 2 -7.288 10.240 1.890 1.00 0.00 C ATOM 24 OG SER A 2 -7.980 11.407 2.308 1.00 0.00 O ATOM 0 H SER A 2 -8.834 11.005 0.209 1.00 0.00 H new ATOM 0 HA SER A 2 -7.648 8.599 0.491 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.882 9.724 2.760 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.442 10.521 1.262 1.00 0.00 H new ATOM 0 HG SER A 2 -7.367 11.992 2.801 1.00 0.00 H new ATOM 30 N GLN A 3 -10.142 9.066 2.586 1.00 0.00 N ATOM 31 CA GLN A 3 -10.972 8.368 3.520 1.00 0.00 C ATOM 32 C GLN A 3 -11.564 7.106 2.993 1.00 0.00 C ATOM 33 O GLN A 3 -11.564 6.080 3.672 1.00 0.00 O ATOM 34 CB GLN A 3 -12.021 9.302 4.146 1.00 0.00 C ATOM 35 CG GLN A 3 -13.080 9.851 3.189 1.00 0.00 C ATOM 36 CD GLN A 3 -13.965 10.893 3.860 1.00 0.00 C ATOM 37 OE1 GLN A 3 -13.593 11.554 4.829 1.00 0.00 O ATOM 38 NE2 GLN A 3 -15.191 11.069 3.300 1.00 0.00 N ATOM 0 H GLN A 3 -10.496 9.981 2.307 1.00 0.00 H new ATOM 0 HA GLN A 3 -10.307 8.037 4.318 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -12.527 8.764 4.947 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -11.502 10.144 4.605 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -12.591 10.294 2.322 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.698 9.031 2.822 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -15.471 10.505 2.497 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -15.831 11.765 3.683 1.00 0.00 H new ATOM 47 N LEU A 4 -11.996 7.076 1.720 1.00 0.00 N ATOM 48 CA LEU A 4 -12.513 5.924 1.050 1.00 0.00 C ATOM 49 C LEU A 4 -11.508 4.825 0.986 1.00 0.00 C ATOM 50 O LEU A 4 -11.737 3.646 1.249 1.00 0.00 O ATOM 51 CB LEU A 4 -12.803 6.225 -0.430 1.00 0.00 C ATOM 52 CG LEU A 4 -13.403 5.027 -1.186 1.00 0.00 C ATOM 53 CD1 LEU A 4 -14.731 4.546 -0.579 1.00 0.00 C ATOM 54 CD2 LEU A 4 -13.656 5.434 -2.648 1.00 0.00 C ATOM 0 H LEU A 4 -11.983 7.904 1.125 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.403 5.646 1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.491 7.068 -0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.878 6.529 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.687 4.208 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -15.108 3.699 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -14.569 4.240 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -15.459 5.357 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.081 4.591 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.352 6.273 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.714 5.727 -3.112 1.00 0.00 H new ATOM 66 N PHE A 5 -10.304 5.279 0.593 1.00 0.00 N ATOM 67 CA PHE A 5 -9.077 4.559 0.459 1.00 0.00 C ATOM 68 C PHE A 5 -8.775 3.870 1.746 1.00 0.00 C ATOM 69 O PHE A 5 -8.450 2.684 1.760 1.00 0.00 O ATOM 70 CB PHE A 5 -8.061 5.589 -0.062 1.00 0.00 C ATOM 71 CG PHE A 5 -6.619 5.335 0.213 1.00 0.00 C ATOM 72 CD1 PHE A 5 -6.090 5.427 1.481 1.00 0.00 C ATOM 73 CD2 PHE A 5 -5.775 5.076 -0.841 1.00 0.00 C ATOM 74 CE1 PHE A 5 -4.760 5.175 1.713 1.00 0.00 C ATOM 75 CE2 PHE A 5 -4.446 4.797 -0.629 1.00 0.00 C ATOM 76 CZ PHE A 5 -3.948 4.850 0.652 1.00 0.00 C ATOM 0 H PHE A 5 -10.181 6.260 0.342 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.082 3.736 -0.256 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.188 5.670 -1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.318 6.559 0.363 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.731 5.702 2.306 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.162 5.092 -1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.358 5.231 2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.802 4.540 -1.457 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.905 4.633 0.827 1.00 0.00 H new ATOM 86 N GLU A 6 -8.975 4.564 2.881 1.00 0.00 N ATOM 87 CA GLU A 6 -8.683 4.064 4.188 1.00 0.00 C ATOM 88 C GLU A 6 -9.646 3.024 4.649 1.00 0.00 C ATOM 89 O GLU A 6 -9.209 2.031 5.229 1.00 0.00 O ATOM 90 CB GLU A 6 -8.563 5.158 5.262 1.00 0.00 C ATOM 91 CG GLU A 6 -7.186 5.826 5.260 1.00 0.00 C ATOM 92 CD GLU A 6 -7.020 6.751 6.457 1.00 0.00 C ATOM 93 OE1 GLU A 6 -6.983 6.251 7.613 1.00 0.00 O ATOM 94 OE2 GLU A 6 -6.920 7.993 6.269 1.00 0.00 O ATOM 0 H GLU A 6 -9.355 5.511 2.888 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.703 3.603 4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.331 5.913 5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.752 4.723 6.243 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.409 5.062 5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.056 6.393 4.338 1.00 0.00 H new ATOM 101 N GLU A 7 -10.958 3.155 4.384 1.00 0.00 N ATOM 102 CA GLU A 7 -11.918 2.189 4.820 1.00 0.00 C ATOM 103 C GLU A 7 -11.635 0.842 4.247 1.00 0.00 C ATOM 104 O GLU A 7 -11.685 -0.192 4.912 1.00 0.00 O ATOM 105 CB GLU A 7 -13.375 2.508 4.443 1.00 0.00 C ATOM 106 CG GLU A 7 -13.738 3.993 4.393 1.00 0.00 C ATOM 107 CD GLU A 7 -15.228 4.235 4.201 1.00 0.00 C ATOM 108 OE1 GLU A 7 -15.868 3.542 3.365 1.00 0.00 O ATOM 109 OE2 GLU A 7 -15.788 5.126 4.895 1.00 0.00 O ATOM 0 H GLU A 7 -11.356 3.937 3.864 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.818 2.213 5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.583 2.069 3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.032 2.016 5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.414 4.472 5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.191 4.468 3.579 1.00 0.00 H new ATOM 116 N LYS A 8 -11.305 0.856 2.944 1.00 0.00 N ATOM 117 CA LYS A 8 -11.107 -0.316 2.149 1.00 0.00 C ATOM 118 C LYS A 8 -9.703 -0.812 2.138 1.00 0.00 C ATOM 119 O LYS A 8 -9.474 -2.005 1.938 1.00 0.00 O ATOM 120 CB LYS A 8 -11.680 -0.054 0.745 1.00 0.00 C ATOM 121 CG LYS A 8 -13.079 -0.636 0.536 1.00 0.00 C ATOM 122 CD LYS A 8 -14.231 -0.020 1.333 1.00 0.00 C ATOM 123 CE LYS A 8 -14.725 1.327 0.800 1.00 0.00 C ATOM 124 NZ LYS A 8 -16.007 1.707 1.436 1.00 0.00 N ATOM 0 H LYS A 8 -11.170 1.722 2.422 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.651 -1.142 2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.713 1.021 0.570 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.005 -0.477 0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.322 -0.553 -0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.039 -1.699 0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.066 -0.721 1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.912 0.108 2.367 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.977 2.096 0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.853 1.270 -0.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.588 2.238 0.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.516 0.849 1.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.819 2.301 2.269 1.00 0.00 H new ATOM 138 N ALA A 9 -8.672 0.013 2.395 1.00 0.00 N ATOM 139 CA ALA A 9 -7.316 -0.435 2.469 1.00 0.00 C ATOM 140 C ALA A 9 -7.045 -1.321 3.636 1.00 0.00 C ATOM 141 O ALA A 9 -6.446 -2.393 3.556 1.00 0.00 O ATOM 142 CB ALA A 9 -6.356 0.756 2.625 1.00 0.00 C ATOM 0 H ALA A 9 -8.783 1.014 2.555 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.158 -0.985 1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.330 0.392 2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.460 1.422 1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.597 1.300 3.538 1.00 0.00 H new ATOM 148 N LYS A 10 -7.568 -0.879 4.794 1.00 0.00 N ATOM 149 CA LYS A 10 -7.639 -1.597 6.029 1.00 0.00 C ATOM 150 C LYS A 10 -8.401 -2.874 5.940 1.00 0.00 C ATOM 151 O LYS A 10 -8.260 -3.742 6.800 1.00 0.00 O ATOM 152 CB LYS A 10 -8.415 -0.687 6.998 1.00 0.00 C ATOM 153 CG LYS A 10 -7.586 0.399 7.686 1.00 0.00 C ATOM 154 CD LYS A 10 -8.497 1.327 8.490 1.00 0.00 C ATOM 155 CE LYS A 10 -7.776 2.418 9.285 1.00 0.00 C ATOM 156 NZ LYS A 10 -7.036 1.837 10.428 1.00 0.00 N ATOM 0 H LYS A 10 -7.973 0.054 4.871 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.623 -1.845 6.338 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.226 -0.208 6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.874 -1.310 7.765 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.848 -0.059 8.345 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.035 0.973 6.941 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.200 1.802 7.806 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.084 0.723 9.182 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.085 2.952 8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.500 3.147 9.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.555 2.596 10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.702 1.348 11.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.331 1.159 10.076 1.00 0.00 H new ATOM 170 N ALA A 11 -9.248 -3.044 4.909 1.00 0.00 N ATOM 171 CA ALA A 11 -9.889 -4.288 4.613 1.00 0.00 C ATOM 172 C ALA A 11 -8.964 -5.183 3.864 1.00 0.00 C ATOM 173 O ALA A 11 -8.642 -6.266 4.354 1.00 0.00 O ATOM 174 CB ALA A 11 -11.191 -4.087 3.822 1.00 0.00 C ATOM 0 H ALA A 11 -9.494 -2.295 4.262 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.149 -4.756 5.563 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.646 -5.056 3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.881 -3.478 4.406 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.971 -3.584 2.880 1.00 0.00 H new ATOM 180 N VAL A 12 -8.450 -4.794 2.684 1.00 0.00 N ATOM 181 CA VAL A 12 -7.709 -5.638 1.799 1.00 0.00 C ATOM 182 C VAL A 12 -6.451 -6.170 2.396 1.00 0.00 C ATOM 183 O VAL A 12 -6.017 -7.272 2.064 1.00 0.00 O ATOM 184 CB VAL A 12 -7.454 -5.030 0.451 1.00 0.00 C ATOM 185 CG1 VAL A 12 -8.812 -4.748 -0.213 1.00 0.00 C ATOM 186 CG2 VAL A 12 -6.599 -3.755 0.524 1.00 0.00 C ATOM 0 H VAL A 12 -8.557 -3.843 2.330 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.370 -6.490 1.637 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.877 -5.736 -0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.651 -4.305 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.365 -5.681 -0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.384 -4.058 0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.448 -3.360 -0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.109 -3.009 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.633 -3.990 0.971 1.00 0.00 H new ATOM 196 N ASN A 13 -5.865 -5.461 3.376 1.00 0.00 N ATOM 197 CA ASN A 13 -4.709 -5.948 4.063 1.00 0.00 C ATOM 198 C ASN A 13 -4.970 -7.052 5.028 1.00 0.00 C ATOM 199 O ASN A 13 -4.042 -7.715 5.489 1.00 0.00 O ATOM 200 CB ASN A 13 -3.985 -4.806 4.797 1.00 0.00 C ATOM 201 CG ASN A 13 -3.131 -3.978 3.849 1.00 0.00 C ATOM 202 OD1 ASN A 13 -1.962 -4.286 3.618 1.00 0.00 O ATOM 203 ND2 ASN A 13 -3.694 -2.869 3.297 1.00 0.00 N ATOM 0 H ASN A 13 -6.192 -4.549 3.694 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.082 -6.365 3.275 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.719 -4.162 5.281 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.356 -5.221 5.585 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.145 -2.273 2.677 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.665 -2.634 3.503 1.00 0.00 H new ATOM 210 N GLU A 14 -6.241 -7.324 5.373 1.00 0.00 N ATOM 211 CA GLU A 14 -6.608 -8.348 6.300 1.00 0.00 C ATOM 212 C GLU A 14 -7.891 -9.009 5.930 1.00 0.00 C ATOM 213 O GLU A 14 -8.624 -9.519 6.777 1.00 0.00 O ATOM 214 CB GLU A 14 -6.684 -7.794 7.733 1.00 0.00 C ATOM 215 CG GLU A 14 -7.669 -6.638 7.920 1.00 0.00 C ATOM 216 CD GLU A 14 -8.055 -6.419 9.376 1.00 0.00 C ATOM 217 OE1 GLU A 14 -7.349 -5.685 10.118 1.00 0.00 O ATOM 218 OE2 GLU A 14 -9.099 -6.990 9.792 1.00 0.00 O ATOM 0 H GLU A 14 -7.039 -6.814 4.994 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.826 -9.106 6.259 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.963 -8.604 8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.691 -7.459 8.032 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.227 -5.723 7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.568 -6.835 7.337 1.00 0.00 H new ATOM 225 N LEU A 15 -8.226 -9.077 4.630 1.00 0.00 N ATOM 226 CA LEU A 15 -9.375 -9.758 4.118 1.00 0.00 C ATOM 227 C LEU A 15 -9.180 -11.232 4.210 1.00 0.00 C ATOM 228 O LEU A 15 -8.036 -11.678 4.265 1.00 0.00 O ATOM 229 CB LEU A 15 -9.626 -9.301 2.671 1.00 0.00 C ATOM 230 CG LEU A 15 -10.681 -8.197 2.489 1.00 0.00 C ATOM 231 CD1 LEU A 15 -10.831 -7.855 0.996 1.00 0.00 C ATOM 232 CD2 LEU A 15 -12.084 -8.501 3.038 1.00 0.00 C ATOM 0 H LEU A 15 -7.668 -8.635 3.899 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.255 -9.511 4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.683 -8.948 2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.930 -10.168 2.084 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.293 -7.368 3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.580 -7.072 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.875 -7.506 0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.144 -8.744 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.740 -7.651 2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.485 -9.384 2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.023 -8.684 4.111 1.00 0.00 H new ATOM 244 N PRO A 16 -10.181 -12.060 4.252 1.00 0.00 N ATOM 245 CA PRO A 16 -10.014 -13.467 4.479 1.00 0.00 C ATOM 246 C PRO A 16 -9.428 -14.126 3.278 1.00 0.00 C ATOM 247 O PRO A 16 -8.808 -15.180 3.409 1.00 0.00 O ATOM 248 CB PRO A 16 -11.427 -13.977 4.749 1.00 0.00 C ATOM 249 CG PRO A 16 -12.339 -13.039 3.940 1.00 0.00 C ATOM 250 CD PRO A 16 -11.556 -11.717 3.920 1.00 0.00 C ATOM 0 HA PRO A 16 -9.334 -13.681 5.304 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.542 -15.013 4.431 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.665 -13.942 5.812 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.515 -13.418 2.933 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.315 -12.922 4.411 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.614 -11.244 2.940 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.966 -11.009 4.640 1.00 0.00 H new ATOM 258 N THR A 17 -9.615 -13.516 2.093 1.00 0.00 N ATOM 259 CA THR A 17 -8.949 -13.848 0.873 1.00 0.00 C ATOM 260 C THR A 17 -7.901 -12.798 0.728 1.00 0.00 C ATOM 261 O THR A 17 -8.053 -11.762 0.084 1.00 0.00 O ATOM 262 CB THR A 17 -9.903 -13.863 -0.285 1.00 0.00 C ATOM 263 OG1 THR A 17 -10.924 -14.820 -0.051 1.00 0.00 O ATOM 264 CG2 THR A 17 -9.238 -14.264 -1.612 1.00 0.00 C ATOM 0 H THR A 17 -10.272 -12.744 1.982 1.00 0.00 H new ATOM 0 HA THR A 17 -8.518 -14.849 0.890 1.00 0.00 H new ATOM 0 HB THR A 17 -10.286 -12.846 -0.366 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.546 -14.826 -0.808 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.982 -14.255 -2.409 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.444 -13.556 -1.849 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.817 -15.265 -1.520 1.00 0.00 H new ATOM 272 N LYS A 18 -6.780 -13.030 1.434 1.00 0.00 N ATOM 273 CA LYS A 18 -5.612 -12.205 1.482 1.00 0.00 C ATOM 274 C LYS A 18 -4.996 -11.943 0.151 1.00 0.00 C ATOM 275 O LYS A 18 -5.109 -12.824 -0.700 1.00 0.00 O ATOM 276 CB LYS A 18 -4.589 -12.861 2.424 1.00 0.00 C ATOM 277 CG LYS A 18 -5.151 -13.141 3.819 1.00 0.00 C ATOM 278 CD LYS A 18 -4.117 -13.683 4.808 1.00 0.00 C ATOM 279 CE LYS A 18 -3.551 -15.062 4.464 1.00 0.00 C ATOM 280 NZ LYS A 18 -2.605 -15.491 5.517 1.00 0.00 N ATOM 0 H LYS A 18 -6.684 -13.861 2.017 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.922 -11.228 1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.246 -13.797 1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.718 -12.212 2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.575 -12.221 4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.968 -13.858 3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.291 -12.974 4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.573 -13.731 5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.361 -15.786 4.373 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.045 -15.027 3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.223 -16.429 5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.825 -14.806 5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.101 -15.541 6.430 1.00 0.00 H new ATOM 294 N PRO A 19 -4.367 -10.842 -0.137 1.00 0.00 N ATOM 295 CA PRO A 19 -4.069 -10.423 -1.475 1.00 0.00 C ATOM 296 C PRO A 19 -3.140 -11.314 -2.227 1.00 0.00 C ATOM 297 O PRO A 19 -2.385 -12.059 -1.604 1.00 0.00 O ATOM 298 CB PRO A 19 -3.403 -9.058 -1.323 1.00 0.00 C ATOM 299 CG PRO A 19 -4.006 -8.498 -0.025 1.00 0.00 C ATOM 300 CD PRO A 19 -4.121 -9.775 0.822 1.00 0.00 C ATOM 0 HA PRO A 19 -4.995 -10.428 -2.050 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.319 -9.147 -1.254 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.616 -8.412 -2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.362 -7.752 0.440 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.974 -8.025 -0.191 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.208 -9.956 1.389 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.934 -9.698 1.544 1.00 0.00 H new ATOM 308 N SER A 20 -3.128 -11.284 -3.571 1.00 0.00 N ATOM 309 CA SER A 20 -2.239 -12.065 -4.374 1.00 0.00 C ATOM 310 C SER A 20 -0.838 -11.556 -4.382 1.00 0.00 C ATOM 311 O SER A 20 -0.566 -10.402 -4.051 1.00 0.00 O ATOM 312 CB SER A 20 -2.695 -12.182 -5.837 1.00 0.00 C ATOM 313 OG SER A 20 -3.757 -13.116 -5.966 1.00 0.00 O ATOM 0 H SER A 20 -3.758 -10.697 -4.117 1.00 0.00 H new ATOM 0 HA SER A 20 -2.265 -13.044 -3.896 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.018 -11.206 -6.200 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.856 -12.492 -6.460 1.00 0.00 H new ATOM 0 HG SER A 20 -4.613 -12.657 -5.838 1.00 0.00 H new ATOM 319 N THR A 21 0.131 -12.411 -4.758 1.00 0.00 N ATOM 320 CA THR A 21 1.512 -12.292 -4.407 1.00 0.00 C ATOM 321 C THR A 21 2.238 -11.105 -4.938 1.00 0.00 C ATOM 322 O THR A 21 2.735 -10.300 -4.152 1.00 0.00 O ATOM 323 CB THR A 21 2.261 -13.567 -4.659 1.00 0.00 C ATOM 324 OG1 THR A 21 1.657 -14.614 -3.914 1.00 0.00 O ATOM 325 CG2 THR A 21 3.723 -13.499 -4.186 1.00 0.00 C ATOM 0 H THR A 21 -0.060 -13.228 -5.338 1.00 0.00 H new ATOM 0 HA THR A 21 1.483 -12.102 -3.334 1.00 0.00 H new ATOM 0 HB THR A 21 2.233 -13.736 -5.735 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.140 -15.451 -4.075 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.217 -14.448 -4.393 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.240 -12.698 -4.715 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.750 -13.302 -3.114 1.00 0.00 H new ATOM 333 N ASP A 22 2.351 -10.893 -6.261 1.00 0.00 N ATOM 334 CA ASP A 22 2.975 -9.733 -6.819 1.00 0.00 C ATOM 335 C ASP A 22 2.090 -8.534 -6.758 1.00 0.00 C ATOM 336 O ASP A 22 2.541 -7.391 -6.732 1.00 0.00 O ATOM 337 CB ASP A 22 3.404 -10.058 -8.259 1.00 0.00 C ATOM 338 CG ASP A 22 4.538 -9.182 -8.774 1.00 0.00 C ATOM 339 OD1 ASP A 22 5.571 -9.053 -8.065 1.00 0.00 O ATOM 340 OD2 ASP A 22 4.445 -8.652 -9.913 1.00 0.00 O ATOM 0 H ASP A 22 1.999 -11.545 -6.962 1.00 0.00 H new ATOM 0 HA ASP A 22 3.854 -9.477 -6.227 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.712 -11.102 -8.310 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.543 -9.947 -8.919 1.00 0.00 H new ATOM 345 N GLU A 23 0.768 -8.767 -6.676 1.00 0.00 N ATOM 346 CA GLU A 23 -0.277 -7.791 -6.709 1.00 0.00 C ATOM 347 C GLU A 23 -0.356 -7.005 -5.446 1.00 0.00 C ATOM 348 O GLU A 23 -0.593 -5.798 -5.460 1.00 0.00 O ATOM 349 CB GLU A 23 -1.610 -8.485 -7.038 1.00 0.00 C ATOM 350 CG GLU A 23 -1.610 -9.186 -8.398 1.00 0.00 C ATOM 351 CD GLU A 23 -2.875 -9.985 -8.679 1.00 0.00 C ATOM 352 OE1 GLU A 23 -3.990 -9.404 -8.604 1.00 0.00 O ATOM 353 OE2 GLU A 23 -2.769 -11.202 -8.985 1.00 0.00 O ATOM 0 H GLU A 23 0.402 -9.714 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.052 -7.068 -7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.832 -9.216 -6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.411 -7.746 -7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.482 -8.439 -9.181 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.750 -9.854 -8.452 1.00 0.00 H new ATOM 360 N LEU A 24 -0.093 -7.629 -4.285 1.00 0.00 N ATOM 361 CA LEU A 24 0.087 -7.017 -3.004 1.00 0.00 C ATOM 362 C LEU A 24 1.070 -5.899 -2.964 1.00 0.00 C ATOM 363 O LEU A 24 0.867 -4.890 -2.290 1.00 0.00 O ATOM 364 CB LEU A 24 0.554 -8.143 -2.066 1.00 0.00 C ATOM 365 CG LEU A 24 0.885 -7.764 -0.613 1.00 0.00 C ATOM 366 CD1 LEU A 24 -0.329 -7.175 0.122 1.00 0.00 C ATOM 367 CD2 LEU A 24 1.393 -9.032 0.093 1.00 0.00 C ATOM 0 H LEU A 24 0.001 -8.644 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.857 -6.556 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.222 -8.908 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.441 -8.600 -2.505 1.00 0.00 H new ATOM 0 HG LEU A 24 1.648 -6.986 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.048 -6.922 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.666 -6.276 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.135 -7.908 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.638 -8.798 1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.618 -9.798 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.284 -9.400 -0.416 1.00 0.00 H new ATOM 379 N LEU A 25 2.203 -6.000 -3.682 1.00 0.00 N ATOM 380 CA LEU A 25 3.280 -5.061 -3.612 1.00 0.00 C ATOM 381 C LEU A 25 3.043 -3.799 -4.366 1.00 0.00 C ATOM 382 O LEU A 25 3.477 -2.719 -3.967 1.00 0.00 O ATOM 383 CB LEU A 25 4.520 -5.802 -4.141 1.00 0.00 C ATOM 384 CG LEU A 25 5.170 -6.765 -3.134 1.00 0.00 C ATOM 385 CD1 LEU A 25 5.819 -6.036 -1.946 1.00 0.00 C ATOM 386 CD2 LEU A 25 4.249 -7.866 -2.580 1.00 0.00 C ATOM 0 H LEU A 25 2.376 -6.764 -4.336 1.00 0.00 H new ATOM 0 HA LEU A 25 3.401 -4.728 -2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.238 -6.364 -5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.262 -5.066 -4.450 1.00 0.00 H new ATOM 0 HG LEU A 25 5.932 -7.254 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.261 -6.766 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.595 -5.364 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.061 -5.460 -1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.806 -8.488 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.404 -7.409 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.883 -8.482 -3.402 1.00 0.00 H new ATOM 398 N GLU A 26 2.300 -3.850 -5.486 1.00 0.00 N ATOM 399 CA GLU A 26 1.805 -2.668 -6.123 1.00 0.00 C ATOM 400 C GLU A 26 0.712 -2.008 -5.356 1.00 0.00 C ATOM 401 O GLU A 26 0.601 -0.783 -5.343 1.00 0.00 O ATOM 402 CB GLU A 26 1.413 -2.891 -7.593 1.00 0.00 C ATOM 403 CG GLU A 26 0.342 -3.950 -7.858 1.00 0.00 C ATOM 404 CD GLU A 26 -0.085 -4.012 -9.317 1.00 0.00 C ATOM 405 OE1 GLU A 26 0.254 -3.090 -10.106 1.00 0.00 O ATOM 406 OE2 GLU A 26 -0.786 -4.987 -9.701 1.00 0.00 O ATOM 0 H GLU A 26 2.040 -4.718 -5.954 1.00 0.00 H new ATOM 0 HA GLU A 26 2.647 -1.976 -6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.064 -1.942 -8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.310 -3.166 -8.148 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.721 -4.926 -7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.530 -3.740 -7.239 1.00 0.00 H new ATOM 413 N LEU A 27 -0.102 -2.791 -4.625 1.00 0.00 N ATOM 414 CA LEU A 27 -1.132 -2.371 -3.724 1.00 0.00 C ATOM 415 C LEU A 27 -0.568 -1.680 -2.530 1.00 0.00 C ATOM 416 O LEU A 27 -1.060 -0.624 -2.135 1.00 0.00 O ATOM 417 CB LEU A 27 -2.013 -3.593 -3.415 1.00 0.00 C ATOM 418 CG LEU A 27 -3.313 -3.435 -2.611 1.00 0.00 C ATOM 419 CD1 LEU A 27 -3.084 -3.185 -1.111 1.00 0.00 C ATOM 420 CD2 LEU A 27 -4.249 -2.384 -3.232 1.00 0.00 C ATOM 0 H LEU A 27 -0.032 -3.808 -4.670 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.770 -1.612 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.278 -4.048 -4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.391 -4.312 -2.882 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.815 -4.400 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.046 -3.084 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.537 -4.024 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.507 -2.270 -0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.156 -2.304 -2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.745 -1.418 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.511 -2.684 -4.247 1.00 0.00 H new ATOM 432 N TYR A 28 0.528 -2.201 -1.952 1.00 0.00 N ATOM 433 CA TYR A 28 1.373 -1.616 -0.958 1.00 0.00 C ATOM 434 C TYR A 28 1.746 -0.212 -1.289 1.00 0.00 C ATOM 435 O TYR A 28 1.499 0.679 -0.479 1.00 0.00 O ATOM 436 CB TYR A 28 2.615 -2.484 -0.692 1.00 0.00 C ATOM 437 CG TYR A 28 3.733 -1.896 0.098 1.00 0.00 C ATOM 438 CD1 TYR A 28 4.648 -1.070 -0.512 1.00 0.00 C ATOM 439 CD2 TYR A 28 3.913 -2.191 1.429 1.00 0.00 C ATOM 440 CE1 TYR A 28 5.683 -0.496 0.187 1.00 0.00 C ATOM 441 CE2 TYR A 28 4.996 -1.700 2.121 1.00 0.00 C ATOM 442 CZ TYR A 28 5.882 -0.852 1.500 1.00 0.00 C ATOM 443 OH TYR A 28 6.984 -0.331 2.212 1.00 0.00 O ATOM 0 H TYR A 28 0.855 -3.132 -2.211 1.00 0.00 H new ATOM 0 HA TYR A 28 0.794 -1.578 -0.035 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.285 -3.388 -0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.017 -2.794 -1.657 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.551 -0.867 -1.568 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.195 -2.817 1.938 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.331 0.225 -0.289 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.150 -1.981 3.152 1.00 0.00 H new ATOM 0 HH TYR A 28 7.027 0.640 2.084 1.00 0.00 H new ATOM 453 N ALA A 29 2.325 0.054 -2.474 1.00 0.00 N ATOM 454 CA ALA A 29 2.762 1.350 -2.889 1.00 0.00 C ATOM 455 C ALA A 29 1.720 2.407 -2.768 1.00 0.00 C ATOM 456 O ALA A 29 1.949 3.456 -2.170 1.00 0.00 O ATOM 457 CB ALA A 29 3.289 1.272 -4.332 1.00 0.00 C ATOM 0 H ALA A 29 2.496 -0.668 -3.174 1.00 0.00 H new ATOM 0 HA ALA A 29 3.559 1.648 -2.208 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.623 2.259 -4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.125 0.574 -4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.493 0.927 -4.992 1.00 0.00 H new ATOM 463 N LEU A 30 0.493 2.140 -3.249 1.00 0.00 N ATOM 464 CA LEU A 30 -0.605 3.044 -3.095 1.00 0.00 C ATOM 465 C LEU A 30 -1.073 3.236 -1.694 1.00 0.00 C ATOM 466 O LEU A 30 -1.326 4.349 -1.236 1.00 0.00 O ATOM 467 CB LEU A 30 -1.825 2.518 -3.869 1.00 0.00 C ATOM 468 CG LEU A 30 -1.809 2.870 -5.368 1.00 0.00 C ATOM 469 CD1 LEU A 30 -1.507 1.662 -6.271 1.00 0.00 C ATOM 470 CD2 LEU A 30 -3.172 3.482 -5.727 1.00 0.00 C ATOM 0 H LEU A 30 0.259 1.284 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.222 3.995 -3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.873 1.435 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.731 2.924 -3.420 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.001 3.580 -5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.510 1.978 -7.314 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.528 1.255 -6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.268 0.896 -6.121 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.187 3.741 -6.786 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.961 2.760 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.336 4.380 -5.132 1.00 0.00 H new ATOM 482 N TYR A 31 -1.225 2.126 -0.950 1.00 0.00 N ATOM 483 CA TYR A 31 -1.653 2.093 0.415 1.00 0.00 C ATOM 484 C TYR A 31 -0.743 2.900 1.276 1.00 0.00 C ATOM 485 O TYR A 31 -1.150 3.832 1.969 1.00 0.00 O ATOM 486 CB TYR A 31 -1.748 0.641 0.914 1.00 0.00 C ATOM 487 CG TYR A 31 -2.096 0.577 2.361 1.00 0.00 C ATOM 488 CD1 TYR A 31 -3.119 1.322 2.897 1.00 0.00 C ATOM 489 CD2 TYR A 31 -1.290 -0.158 3.199 1.00 0.00 C ATOM 490 CE1 TYR A 31 -3.399 1.265 4.243 1.00 0.00 C ATOM 491 CE2 TYR A 31 -1.554 -0.204 4.547 1.00 0.00 C ATOM 492 CZ TYR A 31 -2.622 0.486 5.069 1.00 0.00 C ATOM 493 OH TYR A 31 -2.907 0.410 6.449 1.00 0.00 O ATOM 0 H TYR A 31 -1.038 1.196 -1.324 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.646 2.537 0.476 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.500 0.106 0.335 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.797 0.135 0.746 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.709 1.959 2.255 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.447 -0.700 2.797 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.225 1.829 4.649 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.919 -0.785 5.199 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.261 -0.185 6.884 1.00 0.00 H new ATOM 503 N LYS A 32 0.569 2.611 1.240 1.00 0.00 N ATOM 504 CA LYS A 32 1.601 3.387 1.856 1.00 0.00 C ATOM 505 C LYS A 32 1.619 4.808 1.410 1.00 0.00 C ATOM 506 O LYS A 32 1.777 5.698 2.244 1.00 0.00 O ATOM 507 CB LYS A 32 2.958 2.693 1.658 1.00 0.00 C ATOM 508 CG LYS A 32 3.066 1.310 2.306 1.00 0.00 C ATOM 509 CD LYS A 32 2.831 1.239 3.817 1.00 0.00 C ATOM 510 CE LYS A 32 3.611 2.301 4.595 1.00 0.00 C ATOM 511 NZ LYS A 32 3.704 1.977 6.037 1.00 0.00 N ATOM 0 H LYS A 32 0.930 1.790 0.754 1.00 0.00 H new ATOM 0 HA LYS A 32 1.385 3.437 2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.149 2.595 0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.741 3.333 2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.349 0.649 1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.059 0.913 2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.766 1.357 4.019 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.116 0.250 4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.614 2.391 4.178 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.126 3.269 4.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.240 2.722 6.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.748 1.916 6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.190 1.065 6.157 1.00 0.00 H new ATOM 525 N GLN A 33 1.370 5.097 0.119 1.00 0.00 N ATOM 526 CA GLN A 33 1.337 6.425 -0.411 1.00 0.00 C ATOM 527 C GLN A 33 0.417 7.347 0.312 1.00 0.00 C ATOM 528 O GLN A 33 0.869 8.354 0.856 1.00 0.00 O ATOM 529 CB GLN A 33 0.943 6.483 -1.897 1.00 0.00 C ATOM 530 CG GLN A 33 2.108 6.575 -2.884 1.00 0.00 C ATOM 531 CD GLN A 33 1.788 5.952 -4.236 1.00 0.00 C ATOM 532 OE1 GLN A 33 2.494 5.089 -4.755 1.00 0.00 O ATOM 533 NE2 GLN A 33 0.671 6.412 -4.860 1.00 0.00 N ATOM 0 H GLN A 33 1.185 4.379 -0.581 1.00 0.00 H new ATOM 0 HA GLN A 33 2.367 6.754 -0.278 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.358 5.595 -2.135 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.292 7.344 -2.049 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.376 7.622 -3.026 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.979 6.078 -2.457 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.097 7.128 -4.415 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.407 6.041 -5.773 1.00 0.00 H new ATOM 542 N ALA A 34 -0.897 7.060 0.356 1.00 0.00 N ATOM 543 CA ALA A 34 -1.798 7.953 1.015 1.00 0.00 C ATOM 544 C ALA A 34 -2.007 7.648 2.458 1.00 0.00 C ATOM 545 O ALA A 34 -2.575 8.481 3.164 1.00 0.00 O ATOM 546 CB ALA A 34 -3.119 8.184 0.261 1.00 0.00 C ATOM 0 H ALA A 34 -1.327 6.231 -0.054 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.278 8.911 0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.746 8.873 0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.908 8.609 -0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.640 7.234 0.141 1.00 0.00 H new ATOM 552 N THR A 35 -1.511 6.519 2.994 1.00 0.00 N ATOM 553 CA THR A 35 -1.450 6.312 4.407 1.00 0.00 C ATOM 554 C THR A 35 -0.536 7.265 5.097 1.00 0.00 C ATOM 555 O THR A 35 -0.962 8.008 5.981 1.00 0.00 O ATOM 556 CB THR A 35 -1.058 4.912 4.778 1.00 0.00 C ATOM 557 OG1 THR A 35 -2.118 4.034 4.426 1.00 0.00 O ATOM 558 CG2 THR A 35 -0.873 4.734 6.294 1.00 0.00 C ATOM 0 H THR A 35 -1.149 5.742 2.442 1.00 0.00 H new ATOM 0 HA THR A 35 -2.469 6.494 4.748 1.00 0.00 H new ATOM 0 HB THR A 35 -0.122 4.702 4.260 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.022 3.765 3.488 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.590 3.703 6.507 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.090 5.406 6.646 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.808 4.967 6.804 1.00 0.00 H new ATOM 566 N VAL A 36 0.766 7.276 4.760 1.00 0.00 N ATOM 567 CA VAL A 36 1.704 8.181 5.347 1.00 0.00 C ATOM 568 C VAL A 36 1.815 9.492 4.648 1.00 0.00 C ATOM 569 O VAL A 36 2.037 10.525 5.278 1.00 0.00 O ATOM 570 CB VAL A 36 3.059 7.594 5.612 1.00 0.00 C ATOM 571 CG1 VAL A 36 2.998 6.841 6.952 1.00 0.00 C ATOM 572 CG2 VAL A 36 3.511 6.652 4.482 1.00 0.00 C ATOM 0 H VAL A 36 1.174 6.646 4.069 1.00 0.00 H new ATOM 0 HA VAL A 36 1.258 8.381 6.321 1.00 0.00 H new ATOM 0 HB VAL A 36 3.794 8.398 5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.973 6.404 7.168 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.727 7.535 7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.251 6.050 6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.497 6.250 4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.799 5.833 4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.558 7.205 3.544 1.00 0.00 H new ATOM 582 N GLY A 37 1.699 9.525 3.309 1.00 0.00 N ATOM 583 CA GLY A 37 1.750 10.730 2.541 1.00 0.00 C ATOM 584 C GLY A 37 3.083 11.036 1.949 1.00 0.00 C ATOM 585 O GLY A 37 3.160 11.734 0.939 1.00 0.00 O ATOM 0 H GLY A 37 1.566 8.687 2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.017 10.663 1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.450 11.563 3.177 1.00 0.00 H new ATOM 589 N ASP A 38 4.184 10.515 2.522 1.00 0.00 N ATOM 590 CA ASP A 38 5.502 10.680 1.993 1.00 0.00 C ATOM 591 C ASP A 38 6.075 9.318 1.790 1.00 0.00 C ATOM 592 O ASP A 38 5.598 8.348 2.375 1.00 0.00 O ATOM 593 CB ASP A 38 6.421 11.431 2.970 1.00 0.00 C ATOM 594 CG ASP A 38 5.981 12.877 3.147 1.00 0.00 C ATOM 595 OD1 ASP A 38 5.993 13.643 2.146 1.00 0.00 O ATOM 596 OD2 ASP A 38 5.651 13.272 4.296 1.00 0.00 O ATOM 0 H ASP A 38 4.156 9.963 3.379 1.00 0.00 H new ATOM 0 HA ASP A 38 5.438 11.254 1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.416 10.927 3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.446 11.404 2.601 1.00 0.00 H new ATOM 601 N ASN A 39 7.155 9.188 0.999 1.00 0.00 N ATOM 602 CA ASN A 39 8.068 8.097 1.137 1.00 0.00 C ATOM 603 C ASN A 39 8.727 7.970 2.467 1.00 0.00 C ATOM 604 O ASN A 39 9.834 8.446 2.713 1.00 0.00 O ATOM 605 CB ASN A 39 9.104 8.028 0.002 1.00 0.00 C ATOM 606 CG ASN A 39 10.007 9.245 -0.154 1.00 0.00 C ATOM 607 OD1 ASN A 39 9.840 10.311 0.435 1.00 0.00 O ATOM 608 ND2 ASN A 39 11.031 9.097 -1.035 1.00 0.00 N ATOM 0 H ASN A 39 7.397 9.845 0.257 1.00 0.00 H new ATOM 0 HA ASN A 39 7.414 7.229 1.057 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.733 7.152 0.164 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.574 7.871 -0.937 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.668 9.874 -1.212 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.163 8.209 -1.520 1.00 0.00 H new ATOM 615 N ASP A 40 8.053 7.317 3.432 1.00 0.00 N ATOM 616 CA ASP A 40 8.364 7.340 4.828 1.00 0.00 C ATOM 617 C ASP A 40 9.489 6.458 5.246 1.00 0.00 C ATOM 618 O ASP A 40 10.512 6.935 5.734 1.00 0.00 O ATOM 619 CB ASP A 40 7.040 7.035 5.551 1.00 0.00 C ATOM 620 CG ASP A 40 7.107 7.075 7.071 1.00 0.00 C ATOM 621 OD1 ASP A 40 7.454 8.137 7.653 1.00 0.00 O ATOM 622 OD2 ASP A 40 6.814 6.012 7.679 1.00 0.00 O ATOM 0 H ASP A 40 7.240 6.737 3.223 1.00 0.00 H new ATOM 0 HA ASP A 40 8.756 8.320 5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.289 7.751 5.217 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.696 6.047 5.244 1.00 0.00 H new ATOM 627 N LYS A 41 9.357 5.126 5.119 1.00 0.00 N ATOM 628 CA LYS A 41 10.321 4.183 5.599 1.00 0.00 C ATOM 629 C LYS A 41 11.449 3.973 4.648 1.00 0.00 C ATOM 630 O LYS A 41 11.520 2.953 3.966 1.00 0.00 O ATOM 631 CB LYS A 41 9.642 2.818 5.798 1.00 0.00 C ATOM 632 CG LYS A 41 8.554 2.748 6.871 1.00 0.00 C ATOM 633 CD LYS A 41 9.104 2.769 8.299 1.00 0.00 C ATOM 634 CE LYS A 41 9.176 4.156 8.939 1.00 0.00 C ATOM 635 NZ LYS A 41 7.886 4.529 9.561 1.00 0.00 N ATOM 0 H LYS A 41 8.553 4.690 4.667 1.00 0.00 H new ATOM 0 HA LYS A 41 10.716 4.591 6.530 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.204 2.513 4.848 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.412 2.086 6.044 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.871 3.588 6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.971 1.838 6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.480 2.129 8.923 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.103 2.334 8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.963 4.171 9.693 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.445 4.894 8.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.458 5.313 9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.245 3.710 9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.048 4.826 10.544 1.00 0.00 H new ATOM 649 N GLU A 42 12.454 4.867 4.647 1.00 0.00 N ATOM 650 CA GLU A 42 13.555 4.835 3.735 1.00 0.00 C ATOM 651 C GLU A 42 14.647 3.936 4.203 1.00 0.00 C ATOM 652 O GLU A 42 15.828 4.266 4.298 1.00 0.00 O ATOM 653 CB GLU A 42 14.023 6.264 3.417 1.00 0.00 C ATOM 654 CG GLU A 42 14.974 6.368 2.224 1.00 0.00 C ATOM 655 CD GLU A 42 15.206 7.811 1.801 1.00 0.00 C ATOM 656 OE1 GLU A 42 15.616 8.639 2.658 1.00 0.00 O ATOM 657 OE2 GLU A 42 15.007 8.134 0.600 1.00 0.00 O ATOM 0 H GLU A 42 12.501 5.643 5.308 1.00 0.00 H new ATOM 0 HA GLU A 42 13.218 4.396 2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.148 6.885 3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.518 6.675 4.297 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.928 5.908 2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.565 5.806 1.385 1.00 0.00 H new ATOM 664 N LYS A 43 14.250 2.686 4.504 1.00 0.00 N ATOM 665 CA LYS A 43 15.116 1.570 4.724 1.00 0.00 C ATOM 666 C LYS A 43 14.310 0.363 4.385 1.00 0.00 C ATOM 667 O LYS A 43 13.657 -0.201 5.261 1.00 0.00 O ATOM 668 CB LYS A 43 15.629 1.488 6.172 1.00 0.00 C ATOM 669 CG LYS A 43 16.662 0.382 6.396 1.00 0.00 C ATOM 670 CD LYS A 43 16.884 -0.022 7.856 1.00 0.00 C ATOM 671 CE LYS A 43 17.745 0.913 8.709 1.00 0.00 C ATOM 672 NZ LYS A 43 16.999 2.120 9.130 1.00 0.00 N ATOM 0 H LYS A 43 13.264 2.441 4.599 1.00 0.00 H new ATOM 0 HA LYS A 43 16.011 1.661 4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 43 16.070 2.446 6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.783 1.323 6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.352 -0.500 5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 43 17.614 0.707 5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.909 -0.116 8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 43 17.342 -1.011 7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 43 18.097 0.378 9.591 1.00 0.00 H new ATOM 0 HE3 LYS A 43 18.628 1.211 8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 17.438 2.519 9.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.022 2.826 8.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.012 1.864 9.336 1.00 0.00 H new ATOM 686 N PRO A 44 14.253 -0.088 3.168 1.00 0.00 N ATOM 687 CA PRO A 44 14.033 -1.475 2.880 1.00 0.00 C ATOM 688 C PRO A 44 15.306 -2.207 3.130 1.00 0.00 C ATOM 689 O PRO A 44 16.339 -1.565 3.315 1.00 0.00 O ATOM 690 CB PRO A 44 13.615 -1.433 1.412 1.00 0.00 C ATOM 691 CG PRO A 44 14.493 -0.320 0.816 1.00 0.00 C ATOM 692 CD PRO A 44 14.531 0.693 1.971 1.00 0.00 C ATOM 0 HA PRO A 44 13.285 -1.988 3.484 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.790 -2.389 0.918 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.554 -1.208 1.304 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.488 -0.679 0.553 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.058 0.105 -0.088 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.503 1.181 2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 44 13.788 1.479 1.831 1.00 0.00 H new ATOM 700 N GLY A 45 15.320 -3.550 3.208 1.00 0.00 N ATOM 701 CA GLY A 45 16.474 -4.233 3.701 1.00 0.00 C ATOM 702 C GLY A 45 17.617 -4.348 2.751 1.00 0.00 C ATOM 703 O GLY A 45 17.685 -3.695 1.710 1.00 0.00 O ATOM 0 H GLY A 45 14.545 -4.154 2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.822 -3.719 4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.176 -5.237 4.005 1.00 0.00 H new ATOM 707 N ILE A 46 18.590 -5.206 3.107 1.00 0.00 N ATOM 708 CA ILE A 46 19.900 -5.186 2.535 1.00 0.00 C ATOM 709 C ILE A 46 20.107 -6.334 1.608 1.00 0.00 C ATOM 710 O ILE A 46 20.622 -6.177 0.501 1.00 0.00 O ATOM 711 CB ILE A 46 20.978 -5.063 3.570 1.00 0.00 C ATOM 712 CG1 ILE A 46 20.982 -6.213 4.592 1.00 0.00 C ATOM 713 CG2 ILE A 46 20.793 -3.696 4.251 1.00 0.00 C ATOM 714 CD1 ILE A 46 21.928 -5.990 5.770 1.00 0.00 C ATOM 0 H ILE A 46 18.462 -5.933 3.811 1.00 0.00 H new ATOM 0 HA ILE A 46 19.975 -4.281 1.932 1.00 0.00 H new ATOM 0 HB ILE A 46 21.952 -5.132 3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 46 19.970 -6.352 4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 46 21.261 -7.136 4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 46 21.559 -3.563 5.015 1.00 0.00 H new ATOM 0 HG22 ILE A 46 20.881 -2.904 3.507 1.00 0.00 H new ATOM 0 HG23 ILE A 46 19.807 -3.651 4.714 1.00 0.00 H new ATOM 0 HD11 ILE A 46 21.874 -6.843 6.446 1.00 0.00 H new ATOM 0 HD12 ILE A 46 22.948 -5.882 5.402 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.637 -5.085 6.304 1.00 0.00 H new ATOM 726 N PHE A 47 19.651 -7.533 2.010 1.00 0.00 N ATOM 727 CA PHE A 47 19.509 -8.703 1.200 1.00 0.00 C ATOM 728 C PHE A 47 18.109 -8.799 0.698 1.00 0.00 C ATOM 729 O PHE A 47 17.690 -9.806 0.131 1.00 0.00 O ATOM 730 CB PHE A 47 19.921 -9.965 1.977 1.00 0.00 C ATOM 731 CG PHE A 47 19.538 -9.909 3.415 1.00 0.00 C ATOM 732 CD1 PHE A 47 18.213 -9.896 3.784 1.00 0.00 C ATOM 733 CD2 PHE A 47 20.500 -9.754 4.385 1.00 0.00 C ATOM 734 CE1 PHE A 47 17.854 -9.638 5.085 1.00 0.00 C ATOM 735 CE2 PHE A 47 20.148 -9.504 5.691 1.00 0.00 C ATOM 736 CZ PHE A 47 18.820 -9.424 6.039 1.00 0.00 C ATOM 0 H PHE A 47 19.360 -7.696 2.974 1.00 0.00 H new ATOM 0 HA PHE A 47 20.177 -8.625 0.342 1.00 0.00 H new ATOM 0 HB2 PHE A 47 19.457 -10.837 1.516 1.00 0.00 H new ATOM 0 HB3 PHE A 47 21.000 -10.098 1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 47 17.449 -10.090 3.046 1.00 0.00 H new ATOM 0 HD2 PHE A 47 21.544 -9.829 4.118 1.00 0.00 H new ATOM 0 HE1 PHE A 47 16.810 -9.603 5.359 1.00 0.00 H new ATOM 0 HE2 PHE A 47 20.913 -9.371 6.442 1.00 0.00 H new ATOM 0 HZ PHE A 47 18.538 -9.194 7.056 1.00 0.00 H new ATOM 746 N ASN A 48 17.311 -7.735 0.896 1.00 0.00 N ATOM 747 CA ASN A 48 15.934 -7.661 0.518 1.00 0.00 C ATOM 748 C ASN A 48 15.754 -7.311 -0.919 1.00 0.00 C ATOM 749 O ASN A 48 15.391 -6.190 -1.277 1.00 0.00 O ATOM 750 CB ASN A 48 15.110 -6.711 1.404 1.00 0.00 C ATOM 751 CG ASN A 48 14.851 -7.374 2.749 1.00 0.00 C ATOM 752 OD1 ASN A 48 15.752 -7.555 3.566 1.00 0.00 O ATOM 753 ND2 ASN A 48 13.572 -7.765 2.997 1.00 0.00 N ATOM 0 H ASN A 48 17.644 -6.881 1.344 1.00 0.00 H new ATOM 0 HA ASN A 48 15.548 -8.668 0.674 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.645 -5.772 1.546 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.165 -6.469 0.917 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.340 -8.221 3.879 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.845 -7.602 2.301 1.00 0.00 H new ATOM 760 N MET A 49 15.977 -8.289 -1.814 1.00 0.00 N ATOM 761 CA MET A 49 15.952 -8.132 -3.235 1.00 0.00 C ATOM 762 C MET A 49 14.606 -7.899 -3.832 1.00 0.00 C ATOM 763 O MET A 49 14.499 -7.518 -4.995 1.00 0.00 O ATOM 764 CB MET A 49 16.623 -9.341 -3.907 1.00 0.00 C ATOM 765 CG MET A 49 15.881 -10.671 -3.755 1.00 0.00 C ATOM 766 SD MET A 49 16.847 -12.124 -4.264 1.00 0.00 S ATOM 767 CE MET A 49 17.059 -11.701 -6.017 1.00 0.00 C ATOM 0 H MET A 49 16.187 -9.245 -1.529 1.00 0.00 H new ATOM 0 HA MET A 49 16.508 -7.215 -3.429 1.00 0.00 H new ATOM 0 HB2 MET A 49 16.738 -9.127 -4.970 1.00 0.00 H new ATOM 0 HB3 MET A 49 17.626 -9.454 -3.495 1.00 0.00 H new ATOM 0 HG2 MET A 49 15.585 -10.792 -2.713 1.00 0.00 H new ATOM 0 HG3 MET A 49 14.965 -10.633 -4.344 1.00 0.00 H new ATOM 0 HE1 MET A 49 17.426 -12.572 -6.560 1.00 0.00 H new ATOM 0 HE2 MET A 49 16.101 -11.391 -6.435 1.00 0.00 H new ATOM 0 HE3 MET A 49 17.777 -10.886 -6.110 1.00 0.00 H new ATOM 777 N LYS A 50 13.512 -8.093 -3.073 1.00 0.00 N ATOM 778 CA LYS A 50 12.197 -7.695 -3.467 1.00 0.00 C ATOM 779 C LYS A 50 11.927 -6.299 -3.026 1.00 0.00 C ATOM 780 O LYS A 50 11.621 -5.426 -3.838 1.00 0.00 O ATOM 781 CB LYS A 50 11.135 -8.649 -2.892 1.00 0.00 C ATOM 782 CG LYS A 50 9.732 -8.432 -3.459 1.00 0.00 C ATOM 783 CD LYS A 50 8.698 -9.431 -2.935 1.00 0.00 C ATOM 784 CE LYS A 50 8.939 -10.903 -3.281 1.00 0.00 C ATOM 785 NZ LYS A 50 9.095 -11.082 -4.742 1.00 0.00 N ATOM 0 H LYS A 50 13.544 -8.541 -2.157 1.00 0.00 H new ATOM 0 HA LYS A 50 12.141 -7.740 -4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.440 -9.677 -3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.101 -8.528 -1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.404 -7.421 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.774 -8.502 -4.546 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.652 -9.338 -1.850 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.720 -9.145 -3.321 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.833 -11.260 -2.769 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.105 -11.506 -2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.173 -12.096 -4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.268 -10.684 -5.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.955 -10.592 -5.062 1.00 0.00 H new ATOM 799 N ASP A 51 12.053 -6.022 -1.716 1.00 0.00 N ATOM 800 CA ASP A 51 11.754 -4.772 -1.091 1.00 0.00 C ATOM 801 C ASP A 51 12.528 -3.621 -1.635 1.00 0.00 C ATOM 802 O ASP A 51 12.022 -2.501 -1.683 1.00 0.00 O ATOM 803 CB ASP A 51 11.921 -4.805 0.438 1.00 0.00 C ATOM 804 CG ASP A 51 11.269 -5.994 1.130 1.00 0.00 C ATOM 805 OD1 ASP A 51 11.691 -7.158 0.892 1.00 0.00 O ATOM 806 OD2 ASP A 51 10.384 -5.774 1.999 1.00 0.00 O ATOM 0 H ASP A 51 12.386 -6.719 -1.050 1.00 0.00 H new ATOM 0 HA ASP A 51 10.702 -4.617 -1.331 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.986 -4.806 0.672 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.504 -3.888 0.854 1.00 0.00 H new ATOM 811 N ARG A 52 13.767 -3.817 -2.121 1.00 0.00 N ATOM 812 CA ARG A 52 14.537 -2.816 -2.792 1.00 0.00 C ATOM 813 C ARG A 52 13.889 -2.197 -3.982 1.00 0.00 C ATOM 814 O ARG A 52 13.885 -0.976 -4.136 1.00 0.00 O ATOM 815 CB ARG A 52 15.903 -3.387 -3.211 1.00 0.00 C ATOM 816 CG ARG A 52 16.921 -3.404 -2.068 1.00 0.00 C ATOM 817 CD ARG A 52 17.443 -2.007 -1.723 1.00 0.00 C ATOM 818 NE ARG A 52 18.341 -2.142 -0.544 1.00 0.00 N ATOM 819 CZ ARG A 52 19.702 -2.218 -0.616 1.00 0.00 C ATOM 820 NH1 ARG A 52 20.375 -2.290 -1.801 1.00 0.00 N ATOM 821 NH2 ARG A 52 20.408 -2.119 0.548 1.00 0.00 N ATOM 0 H ARG A 52 14.252 -4.711 -2.043 1.00 0.00 H new ATOM 0 HA ARG A 52 14.641 -2.017 -2.058 1.00 0.00 H new ATOM 0 HB2 ARG A 52 15.767 -4.402 -3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 52 16.301 -2.795 -4.035 1.00 0.00 H new ATOM 0 HG2 ARG A 52 16.461 -3.845 -1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 52 17.760 -4.043 -2.343 1.00 0.00 H new ATOM 0 HD2 ARG A 52 17.982 -1.580 -2.568 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.616 -1.333 -1.499 1.00 0.00 H new ATOM 0 HE ARG A 52 17.911 -2.180 0.380 1.00 0.00 H new ATOM 0 HH11 ARG A 52 19.860 -2.288 -2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 52 21.393 -2.345 -1.807 1.00 0.00 H new ATOM 0 HH21 ARG A 52 19.917 -1.993 1.433 1.00 0.00 H new ATOM 0 HH22 ARG A 52 21.427 -2.171 0.533 1.00 0.00 H new ATOM 835 N TYR A 53 13.295 -3.016 -4.868 1.00 0.00 N ATOM 836 CA TYR A 53 12.577 -2.569 -6.021 1.00 0.00 C ATOM 837 C TYR A 53 11.221 -2.069 -5.659 1.00 0.00 C ATOM 838 O TYR A 53 10.752 -1.043 -6.148 1.00 0.00 O ATOM 839 CB TYR A 53 12.392 -3.709 -7.036 1.00 0.00 C ATOM 840 CG TYR A 53 13.693 -4.216 -7.557 1.00 0.00 C ATOM 841 CD1 TYR A 53 14.527 -3.389 -8.271 1.00 0.00 C ATOM 842 CD2 TYR A 53 14.048 -5.533 -7.384 1.00 0.00 C ATOM 843 CE1 TYR A 53 15.697 -3.868 -8.813 1.00 0.00 C ATOM 844 CE2 TYR A 53 15.223 -6.019 -7.909 1.00 0.00 C ATOM 845 CZ TYR A 53 16.045 -5.186 -8.631 1.00 0.00 C ATOM 846 OH TYR A 53 17.231 -5.681 -9.214 1.00 0.00 O ATOM 0 H TYR A 53 13.316 -4.032 -4.777 1.00 0.00 H new ATOM 0 HA TYR A 53 13.169 -1.764 -6.457 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.847 -4.527 -6.565 1.00 0.00 H new ATOM 0 HB3 TYR A 53 11.782 -3.357 -7.868 1.00 0.00 H new ATOM 0 HD1 TYR A 53 14.261 -2.351 -8.408 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.397 -6.193 -6.830 1.00 0.00 H new ATOM 0 HE1 TYR A 53 16.340 -3.211 -9.380 1.00 0.00 H new ATOM 0 HE2 TYR A 53 15.499 -7.052 -7.755 1.00 0.00 H new ATOM 0 HH TYR A 53 17.334 -6.630 -8.991 1.00 0.00 H new ATOM 856 N LYS A 54 10.534 -2.793 -4.758 1.00 0.00 N ATOM 857 CA LYS A 54 9.180 -2.549 -4.369 1.00 0.00 C ATOM 858 C LYS A 54 8.994 -1.343 -3.513 1.00 0.00 C ATOM 859 O LYS A 54 8.013 -0.617 -3.663 1.00 0.00 O ATOM 860 CB LYS A 54 8.603 -3.817 -3.716 1.00 0.00 C ATOM 861 CG LYS A 54 7.947 -4.777 -4.710 1.00 0.00 C ATOM 862 CD LYS A 54 8.791 -5.358 -5.847 1.00 0.00 C ATOM 863 CE LYS A 54 7.947 -6.263 -6.747 1.00 0.00 C ATOM 864 NZ LYS A 54 8.741 -6.778 -7.885 1.00 0.00 N ATOM 0 H LYS A 54 10.946 -3.592 -4.275 1.00 0.00 H new ATOM 0 HA LYS A 54 8.622 -2.317 -5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.402 -4.341 -3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.867 -3.526 -2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.541 -5.613 -4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.101 -4.257 -5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.219 -4.548 -6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.624 -5.926 -5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.558 -7.098 -6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.087 -5.708 -7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.143 -7.388 -8.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.092 -5.980 -8.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.547 -7.328 -7.525 1.00 0.00 H new ATOM 878 N TRP A 55 9.945 -0.996 -2.627 1.00 0.00 N ATOM 879 CA TRP A 55 9.964 0.262 -1.949 1.00 0.00 C ATOM 880 C TRP A 55 10.222 1.382 -2.897 1.00 0.00 C ATOM 881 O TRP A 55 9.708 2.489 -2.744 1.00 0.00 O ATOM 882 CB TRP A 55 10.976 0.281 -0.791 1.00 0.00 C ATOM 883 CG TRP A 55 10.846 1.469 0.131 1.00 0.00 C ATOM 884 CD1 TRP A 55 9.988 1.644 1.179 1.00 0.00 C ATOM 885 CD2 TRP A 55 11.499 2.737 -0.068 1.00 0.00 C ATOM 886 NE1 TRP A 55 9.956 2.963 1.546 1.00 0.00 N ATOM 887 CE2 TRP A 55 10.903 3.643 0.818 1.00 0.00 C ATOM 888 CE3 TRP A 55 12.472 3.148 -0.938 1.00 0.00 C ATOM 889 CZ2 TRP A 55 11.280 4.959 0.838 1.00 0.00 C ATOM 890 CZ3 TRP A 55 12.845 4.470 -0.901 1.00 0.00 C ATOM 891 CH2 TRP A 55 12.269 5.362 -0.028 1.00 0.00 C ATOM 0 H TRP A 55 10.722 -1.607 -2.376 1.00 0.00 H new ATOM 0 HA TRP A 55 8.974 0.403 -1.516 1.00 0.00 H new ATOM 0 HB2 TRP A 55 10.858 -0.632 -0.207 1.00 0.00 H new ATOM 0 HB3 TRP A 55 11.984 0.267 -1.205 1.00 0.00 H new ATOM 0 HD1 TRP A 55 9.418 0.857 1.650 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.334 3.372 2.243 1.00 0.00 H new ATOM 0 HE3 TRP A 55 12.931 2.457 -1.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 10.814 5.660 1.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 13.612 4.818 -1.577 1.00 0.00 H new ATOM 0 HH2 TRP A 55 12.597 6.391 -0.022 1.00 0.00 H new ATOM 902 N GLU A 56 10.973 1.146 -3.987 1.00 0.00 N ATOM 903 CA GLU A 56 11.199 2.123 -5.006 1.00 0.00 C ATOM 904 C GLU A 56 10.008 2.317 -5.880 1.00 0.00 C ATOM 905 O GLU A 56 9.797 3.385 -6.452 1.00 0.00 O ATOM 906 CB GLU A 56 12.468 1.785 -5.807 1.00 0.00 C ATOM 907 CG GLU A 56 12.898 2.867 -6.799 1.00 0.00 C ATOM 908 CD GLU A 56 14.119 2.442 -7.602 1.00 0.00 C ATOM 909 OE1 GLU A 56 14.072 1.350 -8.229 1.00 0.00 O ATOM 910 OE2 GLU A 56 15.122 3.205 -7.632 1.00 0.00 O ATOM 0 H GLU A 56 11.435 0.254 -4.165 1.00 0.00 H new ATOM 0 HA GLU A 56 11.363 3.083 -4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.286 1.604 -5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.302 0.856 -6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.074 3.086 -7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.120 3.788 -6.260 1.00 0.00 H new ATOM 917 N ALA A 57 9.105 1.324 -5.981 1.00 0.00 N ATOM 918 CA ALA A 57 7.820 1.455 -6.593 1.00 0.00 C ATOM 919 C ALA A 57 6.898 2.330 -5.816 1.00 0.00 C ATOM 920 O ALA A 57 5.957 2.917 -6.346 1.00 0.00 O ATOM 921 CB ALA A 57 7.175 0.075 -6.804 1.00 0.00 C ATOM 0 H ALA A 57 9.280 0.387 -5.619 1.00 0.00 H new ATOM 0 HA ALA A 57 7.986 1.932 -7.559 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.198 0.198 -7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.812 -0.530 -7.449 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.057 -0.423 -5.841 1.00 0.00 H new ATOM 927 N TRP A 58 7.170 2.488 -4.508 1.00 0.00 N ATOM 928 CA TRP A 58 6.498 3.387 -3.623 1.00 0.00 C ATOM 929 C TRP A 58 7.106 4.743 -3.735 1.00 0.00 C ATOM 930 O TRP A 58 6.432 5.733 -4.017 1.00 0.00 O ATOM 931 CB TRP A 58 6.510 2.853 -2.181 1.00 0.00 C ATOM 932 CG TRP A 58 5.850 3.727 -1.141 1.00 0.00 C ATOM 933 CD1 TRP A 58 4.917 4.704 -1.329 1.00 0.00 C ATOM 934 CD2 TRP A 58 6.139 3.718 0.269 1.00 0.00 C ATOM 935 NE1 TRP A 58 4.698 5.395 -0.166 1.00 0.00 N ATOM 936 CE2 TRP A 58 5.457 4.809 0.820 1.00 0.00 C ATOM 937 CE3 TRP A 58 6.898 2.883 1.044 1.00 0.00 C ATOM 938 CZ2 TRP A 58 5.571 5.082 2.156 1.00 0.00 C ATOM 939 CZ3 TRP A 58 6.924 3.119 2.398 1.00 0.00 C ATOM 940 CH2 TRP A 58 6.279 4.205 2.942 1.00 0.00 C ATOM 0 H TRP A 58 7.904 1.955 -4.041 1.00 0.00 H new ATOM 0 HA TRP A 58 5.450 3.465 -3.911 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.019 1.880 -2.172 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.546 2.690 -1.884 1.00 0.00 H new ATOM 0 HD1 TRP A 58 4.419 4.905 -2.266 1.00 0.00 H new ATOM 0 HE1 TRP A 58 4.082 6.200 -0.052 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.456 2.068 0.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 5.116 5.964 2.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.460 2.440 3.045 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.330 4.372 4.008 1.00 0.00 H new ATOM 951 N GLU A 59 8.434 4.854 -3.549 1.00 0.00 N ATOM 952 CA GLU A 59 9.223 6.045 -3.509 1.00 0.00 C ATOM 953 C GLU A 59 9.239 6.832 -4.775 1.00 0.00 C ATOM 954 O GLU A 59 9.472 8.039 -4.769 1.00 0.00 O ATOM 955 CB GLU A 59 10.643 5.759 -2.992 1.00 0.00 C ATOM 956 CG GLU A 59 11.791 5.661 -3.998 1.00 0.00 C ATOM 957 CD GLU A 59 12.505 6.983 -4.244 1.00 0.00 C ATOM 958 OE1 GLU A 59 13.055 7.566 -3.273 1.00 0.00 O ATOM 959 OE2 GLU A 59 12.583 7.445 -5.414 1.00 0.00 O ATOM 0 H GLU A 59 9.010 4.023 -3.413 1.00 0.00 H new ATOM 0 HA GLU A 59 8.718 6.694 -2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.897 6.542 -2.277 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.609 4.821 -2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.515 4.929 -3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.401 5.287 -4.945 1.00 0.00 H new ATOM 966 N ASN A 60 8.920 6.208 -5.924 1.00 0.00 N ATOM 967 CA ASN A 60 8.696 6.885 -7.163 1.00 0.00 C ATOM 968 C ASN A 60 7.555 7.840 -7.094 1.00 0.00 C ATOM 969 O ASN A 60 7.588 8.884 -7.744 1.00 0.00 O ATOM 970 CB ASN A 60 8.514 5.847 -8.284 1.00 0.00 C ATOM 971 CG ASN A 60 8.853 6.400 -9.661 1.00 0.00 C ATOM 972 OD1 ASN A 60 7.995 6.581 -10.522 1.00 0.00 O ATOM 973 ND2 ASN A 60 10.166 6.666 -9.897 1.00 0.00 N ATOM 0 H ASN A 60 8.814 5.196 -5.992 1.00 0.00 H new ATOM 0 HA ASN A 60 9.572 7.495 -7.385 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.146 4.983 -8.079 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.482 5.495 -8.283 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.458 7.025 -10.806 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.858 6.507 -9.165 1.00 0.00 H new ATOM 980 N LEU A 61 6.537 7.565 -6.259 1.00 0.00 N ATOM 981 CA LEU A 61 5.437 8.445 -6.014 1.00 0.00 C ATOM 982 C LEU A 61 5.538 9.145 -4.702 1.00 0.00 C ATOM 983 O LEU A 61 4.538 9.525 -4.097 1.00 0.00 O ATOM 984 CB LEU A 61 4.076 7.749 -6.179 1.00 0.00 C ATOM 985 CG LEU A 61 3.569 7.807 -7.630 1.00 0.00 C ATOM 986 CD1 LEU A 61 4.427 6.993 -8.614 1.00 0.00 C ATOM 987 CD2 LEU A 61 2.108 7.333 -7.701 1.00 0.00 C ATOM 0 H LEU A 61 6.478 6.693 -5.733 1.00 0.00 H new ATOM 0 HA LEU A 61 5.499 9.213 -6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.161 6.708 -5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.346 8.221 -5.521 1.00 0.00 H new ATOM 0 HG LEU A 61 3.644 8.850 -7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.011 7.080 -9.618 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.447 7.376 -8.610 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.432 5.946 -8.312 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.760 7.379 -8.733 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.041 6.307 -7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.486 7.977 -7.080 1.00 0.00 H new ATOM 999 N LYS A 62 6.777 9.383 -4.235 1.00 0.00 N ATOM 1000 CA LYS A 62 7.189 10.092 -3.064 1.00 0.00 C ATOM 1001 C LYS A 62 6.341 11.153 -2.450 1.00 0.00 C ATOM 1002 O LYS A 62 6.234 11.165 -1.225 1.00 0.00 O ATOM 1003 CB LYS A 62 8.616 10.657 -3.161 1.00 0.00 C ATOM 1004 CG LYS A 62 8.903 11.719 -4.225 1.00 0.00 C ATOM 1005 CD LYS A 62 9.294 11.226 -5.620 1.00 0.00 C ATOM 1006 CE LYS A 62 10.797 11.078 -5.864 1.00 0.00 C ATOM 1007 NZ LYS A 62 11.383 10.048 -4.979 1.00 0.00 N ATOM 0 H LYS A 62 7.587 9.033 -4.746 1.00 0.00 H new ATOM 0 HA LYS A 62 7.086 9.247 -2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.873 11.081 -2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.294 9.821 -3.334 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.016 12.345 -4.325 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.705 12.358 -3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.818 10.261 -5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.889 11.918 -6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.974 10.810 -6.906 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.292 12.034 -5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.216 9.629 -5.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.667 10.485 -4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.678 9.305 -4.796 1.00 0.00 H new ATOM 1021 N GLY A 63 5.793 12.091 -3.242 1.00 0.00 N ATOM 1022 CA GLY A 63 5.149 13.275 -2.763 1.00 0.00 C ATOM 1023 C GLY A 63 3.943 13.717 -3.518 1.00 0.00 C ATOM 1024 O GLY A 63 3.254 14.631 -3.065 1.00 0.00 O ATOM 0 H GLY A 63 5.799 12.022 -4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.863 13.113 -1.724 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.875 14.088 -2.771 1.00 0.00 H new ATOM 1028 N LYS A 64 3.591 13.095 -4.656 1.00 0.00 N ATOM 1029 CA LYS A 64 2.354 13.357 -5.325 1.00 0.00 C ATOM 1030 C LYS A 64 1.345 12.317 -4.978 1.00 0.00 C ATOM 1031 O LYS A 64 0.210 12.267 -5.447 1.00 0.00 O ATOM 1032 CB LYS A 64 2.520 13.454 -6.852 1.00 0.00 C ATOM 1033 CG LYS A 64 2.595 12.123 -7.602 1.00 0.00 C ATOM 1034 CD LYS A 64 3.047 12.269 -9.057 1.00 0.00 C ATOM 1035 CE LYS A 64 2.274 13.250 -9.941 1.00 0.00 C ATOM 1036 NZ LYS A 64 0.882 12.807 -10.184 1.00 0.00 N ATOM 0 H LYS A 64 4.174 12.399 -5.120 1.00 0.00 H new ATOM 0 HA LYS A 64 2.003 14.329 -4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.685 14.028 -7.253 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.427 14.020 -7.064 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.284 11.459 -7.080 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.615 11.646 -7.580 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.094 12.571 -9.055 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.000 11.285 -9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.264 14.232 -9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.790 13.361 -10.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.618 13.017 -11.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.809 11.783 -10.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.240 13.309 -9.538 1.00 0.00 H new ATOM 1050 N SER A 65 1.769 11.436 -4.055 1.00 0.00 N ATOM 1051 CA SER A 65 1.116 10.335 -3.418 1.00 0.00 C ATOM 1052 C SER A 65 -0.339 10.478 -3.127 1.00 0.00 C ATOM 1053 O SER A 65 -1.133 9.609 -3.483 1.00 0.00 O ATOM 1054 CB SER A 65 1.846 10.092 -2.087 1.00 0.00 C ATOM 1055 OG SER A 65 1.991 11.307 -1.366 1.00 0.00 O ATOM 0 H SER A 65 2.724 11.515 -3.705 1.00 0.00 H new ATOM 0 HA SER A 65 1.168 9.513 -4.132 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.290 9.372 -1.487 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.827 9.657 -2.278 1.00 0.00 H new ATOM 0 HG SER A 65 2.559 11.156 -0.582 1.00 0.00 H new ATOM 1061 N GLN A 66 -0.749 11.580 -2.475 1.00 0.00 N ATOM 1062 CA GLN A 66 -2.075 11.803 -1.989 1.00 0.00 C ATOM 1063 C GLN A 66 -3.021 12.271 -3.042 1.00 0.00 C ATOM 1064 O GLN A 66 -4.229 12.316 -2.816 1.00 0.00 O ATOM 1065 CB GLN A 66 -2.035 12.765 -0.789 1.00 0.00 C ATOM 1066 CG GLN A 66 -1.546 12.022 0.455 1.00 0.00 C ATOM 1067 CD GLN A 66 -1.503 12.934 1.674 1.00 0.00 C ATOM 1068 OE1 GLN A 66 -1.721 14.141 1.587 1.00 0.00 O ATOM 1069 NE2 GLN A 66 -1.220 12.335 2.862 1.00 0.00 N ATOM 0 H GLN A 66 -0.120 12.358 -2.276 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.467 10.840 -1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.374 13.604 -1.006 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.027 13.179 -0.610 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.204 11.176 0.656 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.552 11.616 0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.044 11.331 2.898 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.184 12.890 3.717 1.00 0.00 H new ATOM 1078 N GLU A 67 -2.508 12.634 -4.231 1.00 0.00 N ATOM 1079 CA GLU A 67 -3.295 12.865 -5.402 1.00 0.00 C ATOM 1080 C GLU A 67 -3.500 11.584 -6.133 1.00 0.00 C ATOM 1081 O GLU A 67 -4.604 11.291 -6.593 1.00 0.00 O ATOM 1082 CB GLU A 67 -2.640 13.874 -6.360 1.00 0.00 C ATOM 1083 CG GLU A 67 -2.549 15.294 -5.795 1.00 0.00 C ATOM 1084 CD GLU A 67 -1.948 16.250 -6.816 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -0.709 16.194 -7.036 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -2.697 17.049 -7.438 1.00 0.00 O ATOM 0 H GLU A 67 -1.509 12.772 -4.382 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.246 13.280 -5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.637 13.527 -6.608 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.208 13.899 -7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.542 15.640 -5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.940 15.291 -4.891 1.00 0.00 H new ATOM 1093 N ASP A 68 -2.462 10.748 -6.310 1.00 0.00 N ATOM 1094 CA ASP A 68 -2.588 9.617 -7.178 1.00 0.00 C ATOM 1095 C ASP A 68 -3.059 8.386 -6.483 1.00 0.00 C ATOM 1096 O ASP A 68 -3.860 7.641 -7.047 1.00 0.00 O ATOM 1097 CB ASP A 68 -1.258 9.309 -7.887 1.00 0.00 C ATOM 1098 CG ASP A 68 -1.008 10.239 -9.064 1.00 0.00 C ATOM 1099 OD1 ASP A 68 -1.961 10.801 -9.666 1.00 0.00 O ATOM 1100 OD2 ASP A 68 0.185 10.364 -9.450 1.00 0.00 O ATOM 0 H ASP A 68 -1.551 10.850 -5.862 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.347 9.899 -7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.438 9.399 -7.174 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.265 8.277 -8.236 1.00 0.00 H new ATOM 1105 N ALA A 69 -2.617 8.127 -5.240 1.00 0.00 N ATOM 1106 CA ALA A 69 -3.026 6.979 -4.494 1.00 0.00 C ATOM 1107 C ALA A 69 -4.507 6.867 -4.369 1.00 0.00 C ATOM 1108 O ALA A 69 -5.105 5.945 -4.925 1.00 0.00 O ATOM 1109 CB ALA A 69 -2.431 6.978 -3.075 1.00 0.00 C ATOM 0 H ALA A 69 -1.961 8.729 -4.742 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.650 6.127 -5.061 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.766 6.089 -2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.343 6.976 -3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.762 7.869 -2.541 1.00 0.00 H new ATOM 1115 N GLU A 70 -5.164 7.850 -3.730 1.00 0.00 N ATOM 1116 CA GLU A 70 -6.585 7.921 -3.596 1.00 0.00 C ATOM 1117 C GLU A 70 -7.437 7.579 -4.770 1.00 0.00 C ATOM 1118 O GLU A 70 -8.450 6.896 -4.629 1.00 0.00 O ATOM 1119 CB GLU A 70 -7.010 9.292 -3.043 1.00 0.00 C ATOM 1120 CG GLU A 70 -6.621 10.479 -3.926 1.00 0.00 C ATOM 1121 CD GLU A 70 -7.426 11.728 -3.596 1.00 0.00 C ATOM 1122 OE1 GLU A 70 -8.001 11.803 -2.477 1.00 0.00 O ATOM 1123 OE2 GLU A 70 -7.553 12.625 -4.470 1.00 0.00 O ATOM 0 H GLU A 70 -4.682 8.632 -3.286 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.780 7.105 -2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.091 9.296 -2.907 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.564 9.427 -2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.559 10.690 -3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.773 10.216 -4.973 1.00 0.00 H new ATOM 1130 N LYS A 71 -7.107 8.056 -5.984 1.00 0.00 N ATOM 1131 CA LYS A 71 -7.903 7.962 -7.168 1.00 0.00 C ATOM 1132 C LYS A 71 -7.671 6.710 -7.942 1.00 0.00 C ATOM 1133 O LYS A 71 -8.580 6.176 -8.577 1.00 0.00 O ATOM 1134 CB LYS A 71 -7.621 9.184 -8.057 1.00 0.00 C ATOM 1135 CG LYS A 71 -8.366 10.447 -7.619 1.00 0.00 C ATOM 1136 CD LYS A 71 -7.614 11.703 -8.063 1.00 0.00 C ATOM 1137 CE LYS A 71 -8.381 13.026 -7.997 1.00 0.00 C ATOM 1138 NZ LYS A 71 -8.898 13.301 -6.638 1.00 0.00 N ATOM 0 H LYS A 71 -6.224 8.540 -6.148 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.946 7.938 -6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.550 9.385 -8.054 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.898 8.947 -9.084 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.369 10.449 -8.045 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.480 10.450 -6.535 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.719 11.798 -7.448 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.281 11.554 -9.090 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.726 13.840 -8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.212 12.999 -8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.693 14.288 -6.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.926 13.145 -6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.439 12.664 -5.956 1.00 0.00 H new ATOM 1152 N GLU A 72 -6.440 6.168 -7.923 1.00 0.00 N ATOM 1153 CA GLU A 72 -6.192 4.883 -8.500 1.00 0.00 C ATOM 1154 C GLU A 72 -6.651 3.795 -7.591 1.00 0.00 C ATOM 1155 O GLU A 72 -7.142 2.772 -8.063 1.00 0.00 O ATOM 1156 CB GLU A 72 -4.703 4.734 -8.854 1.00 0.00 C ATOM 1157 CG GLU A 72 -4.215 5.642 -9.984 1.00 0.00 C ATOM 1158 CD GLU A 72 -4.672 5.258 -11.385 1.00 0.00 C ATOM 1159 OE1 GLU A 72 -5.334 4.203 -11.577 1.00 0.00 O ATOM 1160 OE2 GLU A 72 -4.340 6.016 -12.335 1.00 0.00 O ATOM 0 H GLU A 72 -5.621 6.616 -7.511 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.766 4.799 -9.423 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.110 4.938 -7.962 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.513 3.698 -9.133 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.550 6.659 -9.779 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.125 5.656 -9.969 1.00 0.00 H new ATOM 1167 N TYR A 73 -6.544 3.975 -6.261 1.00 0.00 N ATOM 1168 CA TYR A 73 -6.821 2.987 -5.264 1.00 0.00 C ATOM 1169 C TYR A 73 -8.212 2.454 -5.268 1.00 0.00 C ATOM 1170 O TYR A 73 -8.380 1.237 -5.332 1.00 0.00 O ATOM 1171 CB TYR A 73 -6.561 3.506 -3.839 1.00 0.00 C ATOM 1172 CG TYR A 73 -6.315 2.411 -2.860 1.00 0.00 C ATOM 1173 CD1 TYR A 73 -5.145 1.696 -2.969 1.00 0.00 C ATOM 1174 CD2 TYR A 73 -7.167 2.160 -1.810 1.00 0.00 C ATOM 1175 CE1 TYR A 73 -4.787 0.776 -2.013 1.00 0.00 C ATOM 1176 CE2 TYR A 73 -6.837 1.207 -0.875 1.00 0.00 C ATOM 1177 CZ TYR A 73 -5.651 0.518 -0.973 1.00 0.00 C ATOM 1178 OH TYR A 73 -5.301 -0.516 -0.080 1.00 0.00 O ATOM 0 H TYR A 73 -6.246 4.864 -5.859 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.136 2.184 -5.536 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.700 4.175 -3.853 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.417 4.095 -3.510 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.498 1.860 -3.818 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.092 2.710 -1.720 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.839 0.262 -2.077 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.513 0.999 -0.059 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.448 -0.912 -0.356 1.00 0.00 H new ATOM 1188 N ILE A 74 -9.234 3.327 -5.233 1.00 0.00 N ATOM 1189 CA ILE A 74 -10.610 2.976 -5.396 1.00 0.00 C ATOM 1190 C ILE A 74 -10.891 1.928 -6.418 1.00 0.00 C ATOM 1191 O ILE A 74 -11.477 0.892 -6.108 1.00 0.00 O ATOM 1192 CB ILE A 74 -11.414 4.226 -5.601 1.00 0.00 C ATOM 1193 CG1 ILE A 74 -12.938 4.022 -5.649 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -10.916 5.113 -6.755 1.00 0.00 C ATOM 1195 CD1 ILE A 74 -13.567 3.629 -6.985 1.00 0.00 C ATOM 0 H ILE A 74 -9.094 4.326 -5.084 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.920 2.486 -4.473 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.227 4.781 -4.682 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -13.195 3.254 -4.920 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -13.409 4.947 -5.317 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.551 5.995 -6.836 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.889 5.422 -6.560 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -10.955 4.551 -7.688 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.645 3.522 -6.862 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.362 4.402 -7.725 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -13.144 2.683 -7.322 1.00 0.00 H new ATOM 1207 N ALA A 75 -10.410 2.107 -7.660 1.00 0.00 N ATOM 1208 CA ALA A 75 -10.679 1.213 -8.743 1.00 0.00 C ATOM 1209 C ALA A 75 -9.959 -0.089 -8.678 1.00 0.00 C ATOM 1210 O ALA A 75 -10.524 -1.142 -8.970 1.00 0.00 O ATOM 1211 CB ALA A 75 -10.368 1.924 -10.071 1.00 0.00 C ATOM 0 H ALA A 75 -9.817 2.896 -7.919 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.735 0.955 -8.668 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.571 1.248 -10.902 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.994 2.811 -10.164 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.318 2.217 -10.090 1.00 0.00 H new ATOM 1217 N LEU A 76 -8.676 -0.107 -8.271 1.00 0.00 N ATOM 1218 CA LEU A 76 -7.970 -1.340 -8.116 1.00 0.00 C ATOM 1219 C LEU A 76 -8.431 -2.161 -6.961 1.00 0.00 C ATOM 1220 O LEU A 76 -8.677 -3.356 -7.115 1.00 0.00 O ATOM 1221 CB LEU A 76 -6.439 -1.198 -8.169 1.00 0.00 C ATOM 1222 CG LEU A 76 -5.759 -0.116 -7.314 1.00 0.00 C ATOM 1223 CD1 LEU A 76 -5.216 -0.680 -5.989 1.00 0.00 C ATOM 1224 CD2 LEU A 76 -4.603 0.527 -8.100 1.00 0.00 C ATOM 0 H LEU A 76 -8.131 0.727 -8.051 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.240 -1.909 -9.006 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.010 -2.159 -7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.161 -1.019 -9.208 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.517 0.631 -7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.745 0.120 -5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.037 -1.103 -5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.481 -1.458 -6.198 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.127 1.292 -7.487 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.870 -0.237 -8.360 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.991 0.982 -9.011 1.00 0.00 H new ATOM 1236 N VAL A 77 -8.654 -1.553 -5.783 1.00 0.00 N ATOM 1237 CA VAL A 77 -9.177 -2.194 -4.616 1.00 0.00 C ATOM 1238 C VAL A 77 -10.558 -2.708 -4.840 1.00 0.00 C ATOM 1239 O VAL A 77 -10.914 -3.758 -4.310 1.00 0.00 O ATOM 1240 CB VAL A 77 -9.094 -1.335 -3.388 1.00 0.00 C ATOM 1241 CG1 VAL A 77 -10.033 -1.792 -2.258 1.00 0.00 C ATOM 1242 CG2 VAL A 77 -7.666 -1.512 -2.846 1.00 0.00 C ATOM 0 H VAL A 77 -8.459 -0.562 -5.637 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.534 -3.054 -4.428 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.366 -0.317 -3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.922 -1.127 -1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.065 -1.763 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.779 -2.810 -1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.541 -0.909 -1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.496 -2.561 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.948 -1.191 -3.601 1.00 0.00 H new ATOM 1252 N ASP A 78 -11.390 -2.072 -5.685 1.00 0.00 N ATOM 1253 CA ASP A 78 -12.674 -2.607 -6.019 1.00 0.00 C ATOM 1254 C ASP A 78 -12.617 -3.954 -6.654 1.00 0.00 C ATOM 1255 O ASP A 78 -13.390 -4.856 -6.334 1.00 0.00 O ATOM 1256 CB ASP A 78 -13.374 -1.602 -6.949 1.00 0.00 C ATOM 1257 CG ASP A 78 -14.843 -1.905 -7.214 1.00 0.00 C ATOM 1258 OD1 ASP A 78 -15.612 -2.081 -6.232 1.00 0.00 O ATOM 1259 OD2 ASP A 78 -15.229 -1.953 -8.412 1.00 0.00 O ATOM 0 H ASP A 78 -11.172 -1.184 -6.138 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.232 -2.750 -5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.294 -0.606 -6.513 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.844 -1.577 -7.901 1.00 0.00 H new ATOM 1264 N GLN A 79 -11.640 -4.148 -7.556 1.00 0.00 N ATOM 1265 CA GLN A 79 -11.380 -5.369 -8.254 1.00 0.00 C ATOM 1266 C GLN A 79 -10.675 -6.382 -7.417 1.00 0.00 C ATOM 1267 O GLN A 79 -10.814 -7.583 -7.644 1.00 0.00 O ATOM 1268 CB GLN A 79 -10.624 -5.054 -9.555 1.00 0.00 C ATOM 1269 CG GLN A 79 -11.497 -4.252 -10.522 1.00 0.00 C ATOM 1270 CD GLN A 79 -10.721 -3.666 -11.693 1.00 0.00 C ATOM 1271 OE1 GLN A 79 -10.873 -4.037 -12.856 1.00 0.00 O ATOM 1272 NE2 GLN A 79 -9.881 -2.642 -11.388 1.00 0.00 N ATOM 0 H GLN A 79 -10.990 -3.405 -7.814 1.00 0.00 H new ATOM 0 HA GLN A 79 -12.335 -5.832 -8.502 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.719 -4.491 -9.326 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.310 -5.983 -10.030 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -12.288 -4.897 -10.906 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.982 -3.443 -9.976 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.767 -2.347 -10.418 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.365 -2.168 -12.129 1.00 0.00 H new ATOM 1281 N LEU A 80 -9.965 -5.955 -6.358 1.00 0.00 N ATOM 1282 CA LEU A 80 -9.488 -6.783 -5.294 1.00 0.00 C ATOM 1283 C LEU A 80 -10.655 -7.313 -4.535 1.00 0.00 C ATOM 1284 O LEU A 80 -10.885 -8.520 -4.481 1.00 0.00 O ATOM 1285 CB LEU A 80 -8.515 -6.056 -4.350 1.00 0.00 C ATOM 1286 CG LEU A 80 -7.031 -6.140 -4.748 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -6.623 -5.235 -5.922 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -6.140 -5.843 -3.531 1.00 0.00 C ATOM 0 H LEU A 80 -9.709 -4.975 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.919 -7.600 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.802 -5.006 -4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.630 -6.469 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.885 -7.162 -5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.560 -5.364 -6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.200 -5.505 -6.807 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.819 -4.194 -5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.092 -5.905 -3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.354 -4.841 -3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.341 -6.572 -2.746 1.00 0.00 H new ATOM 1300 N ILE A 81 -11.493 -6.439 -3.950 1.00 0.00 N ATOM 1301 CA ILE A 81 -12.570 -6.792 -3.079 1.00 0.00 C ATOM 1302 C ILE A 81 -13.656 -7.572 -3.738 1.00 0.00 C ATOM 1303 O ILE A 81 -14.254 -8.457 -3.128 1.00 0.00 O ATOM 1304 CB ILE A 81 -13.116 -5.559 -2.423 1.00 0.00 C ATOM 1305 CG1 ILE A 81 -12.043 -5.003 -1.472 1.00 0.00 C ATOM 1306 CG2 ILE A 81 -14.440 -5.785 -1.675 1.00 0.00 C ATOM 1307 CD1 ILE A 81 -12.453 -3.727 -0.738 1.00 0.00 C ATOM 0 H ILE A 81 -11.414 -5.432 -4.093 1.00 0.00 H new ATOM 0 HA ILE A 81 -12.154 -7.461 -2.326 1.00 0.00 H new ATOM 0 HB ILE A 81 -13.353 -4.843 -3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.795 -5.768 -0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.136 -4.804 -2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -14.770 -4.847 -1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -15.197 -6.140 -2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.293 -6.528 -0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.639 -3.403 -0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -12.672 -2.944 -1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -13.341 -3.922 -0.137 1.00 0.00 H new ATOM 1319 N ALA A 82 -13.924 -7.351 -5.038 1.00 0.00 N ATOM 1320 CA ALA A 82 -14.782 -8.197 -5.810 1.00 0.00 C ATOM 1321 C ALA A 82 -14.441 -9.647 -5.747 1.00 0.00 C ATOM 1322 O ALA A 82 -15.312 -10.512 -5.683 1.00 0.00 O ATOM 1323 CB ALA A 82 -14.759 -7.740 -7.278 1.00 0.00 C ATOM 0 H ALA A 82 -13.536 -6.568 -5.564 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.775 -8.098 -5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.412 -8.382 -7.869 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.108 -6.709 -7.344 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.741 -7.804 -7.663 1.00 0.00 H new ATOM 1329 N LYS A 83 -13.138 -9.976 -5.700 1.00 0.00 N ATOM 1330 CA LYS A 83 -12.647 -11.309 -5.532 1.00 0.00 C ATOM 1331 C LYS A 83 -12.532 -11.645 -4.085 1.00 0.00 C ATOM 1332 O LYS A 83 -12.844 -12.753 -3.652 1.00 0.00 O ATOM 1333 CB LYS A 83 -11.293 -11.440 -6.250 1.00 0.00 C ATOM 1334 CG LYS A 83 -11.384 -11.055 -7.728 1.00 0.00 C ATOM 1335 CD LYS A 83 -10.053 -11.095 -8.484 1.00 0.00 C ATOM 1336 CE LYS A 83 -9.490 -12.507 -8.658 1.00 0.00 C ATOM 1337 NZ LYS A 83 -8.394 -12.513 -9.653 1.00 0.00 N ATOM 0 H LYS A 83 -12.394 -9.283 -5.783 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.348 -12.018 -5.973 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.558 -10.805 -5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.936 -12.466 -6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.087 -11.727 -8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.798 -10.050 -7.802 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.189 -10.643 -9.467 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.324 -10.485 -7.951 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.122 -12.878 -7.701 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.283 -13.183 -8.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.025 -13.480 -9.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.755 -12.180 -10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.631 -11.884 -9.332 1.00 0.00 H new ATOM 1351 N TYR A 84 -12.048 -10.690 -3.270 1.00 0.00 N ATOM 1352 CA TYR A 84 -11.470 -10.955 -1.989 1.00 0.00 C ATOM 1353 C TYR A 84 -12.388 -10.798 -0.826 1.00 0.00 C ATOM 1354 O TYR A 84 -12.064 -11.243 0.272 1.00 0.00 O ATOM 1355 CB TYR A 84 -10.217 -10.091 -1.773 1.00 0.00 C ATOM 1356 CG TYR A 84 -9.107 -10.335 -2.737 1.00 0.00 C ATOM 1357 CD1 TYR A 84 -8.955 -11.504 -3.447 1.00 0.00 C ATOM 1358 CD2 TYR A 84 -8.156 -9.356 -2.902 1.00 0.00 C ATOM 1359 CE1 TYR A 84 -7.895 -11.691 -4.302 1.00 0.00 C ATOM 1360 CE2 TYR A 84 -7.078 -9.530 -3.736 1.00 0.00 C ATOM 1361 CZ TYR A 84 -6.962 -10.694 -4.459 1.00 0.00 C ATOM 1362 OH TYR A 84 -5.912 -10.871 -5.386 1.00 0.00 O ATOM 0 H TYR A 84 -12.060 -9.699 -3.511 1.00 0.00 H new ATOM 0 HA TYR A 84 -11.215 -12.014 -2.020 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.504 -9.041 -1.832 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.845 -10.264 -0.763 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.684 -12.292 -3.330 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.259 -8.426 -2.362 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.796 -12.617 -4.848 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.327 -8.758 -3.823 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.335 -10.079 -5.382 1.00 0.00 H new ATOM 1372 N SER A 85 -13.570 -10.181 -1.010 1.00 0.00 N ATOM 1373 CA SER A 85 -14.609 -10.086 -0.032 1.00 0.00 C ATOM 1374 C SER A 85 -15.016 -11.384 0.577 1.00 0.00 C ATOM 1375 O SER A 85 -14.925 -11.564 1.791 1.00 0.00 O ATOM 1376 CB SER A 85 -15.857 -9.373 -0.579 1.00 0.00 C ATOM 1377 OG SER A 85 -16.260 -9.877 -1.844 1.00 0.00 O ATOM 0 H SER A 85 -13.813 -9.724 -1.889 1.00 0.00 H new ATOM 0 HA SER A 85 -14.159 -9.490 0.762 1.00 0.00 H new ATOM 0 HB2 SER A 85 -16.676 -9.485 0.131 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.654 -8.306 -0.665 1.00 0.00 H new ATOM 0 HG SER A 85 -15.679 -9.510 -2.543 1.00 0.00 H new ATOM 1383 N SER A 86 -15.458 -12.356 -0.239 1.00 0.00 N ATOM 1384 CA SER A 86 -15.703 -13.693 0.206 1.00 0.00 C ATOM 1385 C SER A 86 -15.284 -14.696 -0.860 1.00 0.00 C ATOM 1386 O SER A 86 -15.630 -14.524 -2.060 1.00 0.00 O ATOM 1387 CB SER A 86 -17.181 -14.004 0.495 1.00 0.00 C ATOM 1388 OG SER A 86 -17.748 -13.202 1.520 1.00 0.00 O ATOM 1389 OXT SER A 86 -14.618 -15.704 -0.504 1.00 0.00 O ATOM 0 H SER A 86 -15.650 -12.211 -1.230 1.00 0.00 H new ATOM 0 HA SER A 86 -15.127 -13.776 1.128 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.757 -13.867 -0.420 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.273 -15.053 0.775 1.00 0.00 H new ATOM 0 HG SER A 86 -17.078 -12.566 1.846 1.00 0.00 H new TER 1395 SER A 86