USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 567 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 94 THR OG1 : rot 167:sc= -2.47! USER MOD Set 1.2: A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.57) USER MOD Single : A 30 LYS NZ :NH3+ -132:sc= 0.0123 (180deg=-2.39!) USER MOD Single : A 31 GLN : amide:sc= -1.97! C(o=-2!,f=-4.6!) USER MOD Single : A 34 LYS NZ :NH3+ 155:sc= -0.31 (180deg=-0.778) USER MOD Single : A 42 THR OG1 : rot -61:sc= 0.9 USER MOD Single : A 43 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.5!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -23:sc= 0.251 USER MOD Single : A 47 SER OG : rot -14:sc= 0.602 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 165:sc= -0.0211 (180deg=-0.254) USER MOD Single : A 57 MET CE :methyl 175:sc= -2.48 (180deg=-2.62) USER MOD Single : A 65 LYS NZ :NH3+ -151:sc= 1.26 (180deg=-0.605) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -154:sc= -0.529 (180deg=-1.73!) USER MOD Single : A 74 ASN : amide:sc= 1.27 K(o=1.3,f=-0.23) USER MOD Single : A 76 TYR OH : rot -161:sc= 1.14 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 153:sc= -0.366 (180deg=-1.24!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 33 N GLU A 27 19.119 0.398 0.410 1.00 1.84 N ATOM 34 CA GLU A 27 18.606 1.741 0.178 1.00 1.64 C ATOM 35 C GLU A 27 17.947 1.841 -1.192 1.00 1.38 C ATOM 36 O GLU A 27 17.063 2.671 -1.404 1.00 1.18 O ATOM 37 CB GLU A 27 19.712 2.779 0.340 1.00 1.82 C ATOM 38 CG GLU A 27 20.384 2.705 1.699 1.00 2.09 C ATOM 39 CD GLU A 27 21.126 3.971 2.059 1.00 2.19 C ATOM 40 OE1 GLU A 27 22.259 4.159 1.574 1.00 2.66 O ATOM 41 OE2 GLU A 27 20.573 4.775 2.838 1.00 2.50 O ATOM 0 HA GLU A 27 17.843 1.949 0.928 1.00 1.64 H new ATOM 0 HB2 GLU A 27 20.460 2.633 -0.440 1.00 1.82 H new ATOM 0 HB3 GLU A 27 19.294 3.776 0.199 1.00 1.82 H new ATOM 0 HG2 GLU A 27 19.631 2.503 2.460 1.00 2.09 H new ATOM 0 HG3 GLU A 27 21.080 1.867 1.709 1.00 2.09 H new ATOM 48 N GLU A 28 18.371 0.981 -2.115 1.00 1.45 N ATOM 49 CA GLU A 28 17.688 0.832 -3.398 1.00 1.33 C ATOM 50 C GLU A 28 16.275 0.309 -3.171 1.00 1.15 C ATOM 51 O GLU A 28 15.335 0.682 -3.866 1.00 1.01 O ATOM 52 CB GLU A 28 18.460 -0.127 -4.309 1.00 1.59 C ATOM 53 CG GLU A 28 18.723 -1.483 -3.671 1.00 1.83 C ATOM 54 CD GLU A 28 19.307 -2.489 -4.639 1.00 2.29 C ATOM 55 OE1 GLU A 28 20.275 -2.145 -5.343 1.00 2.57 O ATOM 56 OE2 GLU A 28 18.802 -3.629 -4.698 1.00 2.53 O ATOM 0 H GLU A 28 19.184 0.377 -1.999 1.00 1.45 H new ATOM 0 HA GLU A 28 17.638 1.807 -3.884 1.00 1.33 H new ATOM 0 HB2 GLU A 28 17.899 -0.270 -5.232 1.00 1.59 H new ATOM 0 HB3 GLU A 28 19.412 0.329 -4.582 1.00 1.59 H new ATOM 0 HG2 GLU A 28 19.406 -1.357 -2.831 1.00 1.83 H new ATOM 0 HG3 GLU A 28 17.790 -1.875 -3.267 1.00 1.83 H new ATOM 63 N GLN A 29 16.141 -0.558 -2.177 1.00 1.23 N ATOM 64 CA GLN A 29 14.847 -1.074 -1.766 1.00 1.11 C ATOM 65 C GLN A 29 13.974 0.069 -1.280 1.00 0.88 C ATOM 66 O GLN A 29 12.813 0.199 -1.652 1.00 0.73 O ATOM 67 CB GLN A 29 15.047 -2.097 -0.644 1.00 1.29 C ATOM 68 CG GLN A 29 15.809 -3.335 -1.085 1.00 1.88 C ATOM 69 CD GLN A 29 15.106 -4.100 -2.188 1.00 2.64 C ATOM 70 OE1 GLN A 29 13.880 -4.130 -2.254 1.00 3.15 O ATOM 71 NE2 GLN A 29 15.879 -4.709 -3.069 1.00 3.30 N ATOM 0 H GLN A 29 16.925 -0.921 -1.635 1.00 1.23 H new ATOM 0 HA GLN A 29 14.357 -1.557 -2.611 1.00 1.11 H new ATOM 0 HB2 GLN A 29 15.583 -1.623 0.178 1.00 1.29 H new ATOM 0 HB3 GLN A 29 14.073 -2.397 -0.258 1.00 1.29 H new ATOM 0 HG2 GLN A 29 16.801 -3.041 -1.429 1.00 1.88 H new ATOM 0 HG3 GLN A 29 15.951 -3.993 -0.227 1.00 1.88 H new ATOM 0 HE21 GLN A 29 16.894 -4.659 -2.978 1.00 3.30 H new ATOM 0 HE22 GLN A 29 15.461 -5.229 -3.841 1.00 3.30 H new ATOM 80 N LYS A 30 14.579 0.912 -0.466 1.00 0.95 N ATOM 81 CA LYS A 30 13.896 2.035 0.144 1.00 0.92 C ATOM 82 C LYS A 30 13.516 3.099 -0.863 1.00 0.75 C ATOM 83 O LYS A 30 12.426 3.668 -0.785 1.00 0.72 O ATOM 84 CB LYS A 30 14.800 2.649 1.191 1.00 1.20 C ATOM 85 CG LYS A 30 14.925 1.799 2.425 1.00 1.50 C ATOM 86 CD LYS A 30 16.284 1.968 3.073 1.00 1.83 C ATOM 87 CE LYS A 30 16.557 3.431 3.400 1.00 1.97 C ATOM 88 NZ LYS A 30 17.882 3.641 4.043 1.00 2.57 N ATOM 0 H LYS A 30 15.563 0.836 -0.208 1.00 0.95 H new ATOM 0 HA LYS A 30 12.975 1.659 0.589 1.00 0.92 H new ATOM 0 HB2 LYS A 30 15.790 2.807 0.762 1.00 1.20 H new ATOM 0 HB3 LYS A 30 14.413 3.629 1.469 1.00 1.20 H new ATOM 0 HG2 LYS A 30 14.144 2.069 3.136 1.00 1.50 H new ATOM 0 HG3 LYS A 30 14.771 0.752 2.165 1.00 1.50 H new ATOM 0 HD2 LYS A 30 16.332 1.373 3.985 1.00 1.83 H new ATOM 0 HD3 LYS A 30 17.058 1.591 2.405 1.00 1.83 H new ATOM 0 HE2 LYS A 30 16.506 4.019 2.484 1.00 1.97 H new ATOM 0 HE3 LYS A 30 15.774 3.803 4.061 1.00 1.97 H new ATOM 0 HZ1 LYS A 30 17.769 4.244 4.882 1.00 2.57 H new ATOM 0 HZ2 LYS A 30 18.279 2.723 4.328 1.00 2.57 H new ATOM 0 HZ3 LYS A 30 18.526 4.103 3.369 1.00 2.57 H new ATOM 102 N GLN A 31 14.409 3.379 -1.797 1.00 0.77 N ATOM 103 CA GLN A 31 14.196 4.472 -2.726 1.00 0.75 C ATOM 104 C GLN A 31 12.964 4.211 -3.585 1.00 0.64 C ATOM 105 O GLN A 31 12.251 5.142 -3.962 1.00 0.75 O ATOM 106 CB GLN A 31 15.429 4.700 -3.604 1.00 0.87 C ATOM 107 CG GLN A 31 15.722 3.560 -4.557 1.00 1.12 C ATOM 108 CD GLN A 31 16.933 3.821 -5.427 1.00 1.93 C ATOM 109 OE1 GLN A 31 18.058 3.494 -5.053 1.00 2.61 O ATOM 110 NE2 GLN A 31 16.709 4.406 -6.591 1.00 2.55 N ATOM 0 H GLN A 31 15.282 2.868 -1.931 1.00 0.77 H new ATOM 0 HA GLN A 31 14.027 5.379 -2.146 1.00 0.75 H new ATOM 0 HB2 GLN A 31 15.289 5.615 -4.180 1.00 0.87 H new ATOM 0 HB3 GLN A 31 16.296 4.856 -2.962 1.00 0.87 H new ATOM 0 HG2 GLN A 31 15.881 2.646 -3.985 1.00 1.12 H new ATOM 0 HG3 GLN A 31 14.853 3.391 -5.193 1.00 1.12 H new ATOM 0 HE21 GLN A 31 15.758 4.660 -6.860 1.00 2.55 H new ATOM 0 HE22 GLN A 31 17.487 4.604 -7.221 1.00 2.55 H new ATOM 119 N GLU A 32 12.710 2.936 -3.866 1.00 0.58 N ATOM 120 CA GLU A 32 11.524 2.538 -4.604 1.00 0.62 C ATOM 121 C GLU A 32 10.285 2.721 -3.738 1.00 0.56 C ATOM 122 O GLU A 32 9.244 3.160 -4.214 1.00 0.62 O ATOM 123 CB GLU A 32 11.629 1.076 -5.053 1.00 0.77 C ATOM 124 CG GLU A 32 12.813 0.795 -5.964 1.00 1.09 C ATOM 125 CD GLU A 32 12.782 1.614 -7.236 1.00 1.90 C ATOM 126 OE1 GLU A 32 11.949 1.318 -8.116 1.00 2.03 O ATOM 127 OE2 GLU A 32 13.584 2.563 -7.355 1.00 2.77 O ATOM 0 H GLU A 32 13.314 2.162 -3.591 1.00 0.58 H new ATOM 0 HA GLU A 32 11.443 3.169 -5.489 1.00 0.62 H new ATOM 0 HB2 GLU A 32 11.703 0.440 -4.171 1.00 0.77 H new ATOM 0 HB3 GLU A 32 10.711 0.798 -5.571 1.00 0.77 H new ATOM 0 HG2 GLU A 32 13.737 1.004 -5.425 1.00 1.09 H new ATOM 0 HG3 GLU A 32 12.825 -0.265 -6.220 1.00 1.09 H new ATOM 134 N ILE A 33 10.422 2.405 -2.454 1.00 0.51 N ATOM 135 CA ILE A 33 9.314 2.485 -1.509 1.00 0.51 C ATOM 136 C ILE A 33 8.730 3.896 -1.429 1.00 0.50 C ATOM 137 O ILE A 33 7.531 4.083 -1.617 1.00 0.54 O ATOM 138 CB ILE A 33 9.742 2.021 -0.099 1.00 0.53 C ATOM 139 CG1 ILE A 33 10.146 0.547 -0.132 1.00 0.59 C ATOM 140 CG2 ILE A 33 8.624 2.242 0.910 1.00 0.55 C ATOM 141 CD1 ILE A 33 10.534 -0.007 1.220 1.00 0.68 C ATOM 0 H ILE A 33 11.299 2.088 -2.041 1.00 0.51 H new ATOM 0 HA ILE A 33 8.540 1.815 -1.884 1.00 0.51 H new ATOM 0 HB ILE A 33 10.600 2.617 0.213 1.00 0.53 H new ATOM 0 HG12 ILE A 33 9.318 -0.039 -0.531 1.00 0.59 H new ATOM 0 HG13 ILE A 33 10.983 0.424 -0.819 1.00 0.59 H new ATOM 0 HG21 ILE A 33 8.951 1.907 1.894 1.00 0.55 H new ATOM 0 HG22 ILE A 33 8.376 3.303 0.951 1.00 0.55 H new ATOM 0 HG23 ILE A 33 7.744 1.675 0.608 1.00 0.55 H new ATOM 0 HD11 ILE A 33 10.808 -1.057 1.118 1.00 0.68 H new ATOM 0 HD12 ILE A 33 11.383 0.553 1.613 1.00 0.68 H new ATOM 0 HD13 ILE A 33 9.691 0.083 1.906 1.00 0.68 H new ATOM 153 N LYS A 34 9.579 4.891 -1.179 1.00 0.53 N ATOM 154 CA LYS A 34 9.102 6.271 -1.035 1.00 0.60 C ATOM 155 C LYS A 34 8.511 6.741 -2.345 1.00 0.54 C ATOM 156 O LYS A 34 7.589 7.550 -2.380 1.00 0.59 O ATOM 157 CB LYS A 34 10.228 7.246 -0.662 1.00 0.76 C ATOM 158 CG LYS A 34 11.367 6.645 0.134 1.00 1.13 C ATOM 159 CD LYS A 34 10.881 6.081 1.441 1.00 1.13 C ATOM 160 CE LYS A 34 11.762 4.939 1.881 1.00 1.48 C ATOM 161 NZ LYS A 34 12.993 5.420 2.561 1.00 1.85 N ATOM 0 H LYS A 34 10.587 4.774 -1.073 1.00 0.53 H new ATOM 0 HA LYS A 34 8.362 6.265 -0.235 1.00 0.60 H new ATOM 0 HB2 LYS A 34 10.634 7.675 -1.578 1.00 0.76 H new ATOM 0 HB3 LYS A 34 9.799 8.068 -0.088 1.00 0.76 H new ATOM 0 HG2 LYS A 34 11.846 5.858 -0.449 1.00 1.13 H new ATOM 0 HG3 LYS A 34 12.124 7.407 0.323 1.00 1.13 H new ATOM 0 HD2 LYS A 34 10.879 6.861 2.202 1.00 1.13 H new ATOM 0 HD3 LYS A 34 9.853 5.735 1.335 1.00 1.13 H new ATOM 0 HE2 LYS A 34 11.205 4.289 2.556 1.00 1.48 H new ATOM 0 HE3 LYS A 34 12.037 4.338 1.014 1.00 1.48 H new ATOM 0 HZ1 LYS A 34 13.348 4.681 3.200 1.00 1.85 H new ATOM 0 HZ2 LYS A 34 13.719 5.640 1.850 1.00 1.85 H new ATOM 0 HZ3 LYS A 34 12.775 6.276 3.109 1.00 1.85 H new ATOM 175 N GLU A 35 9.050 6.211 -3.424 1.00 0.52 N ATOM 176 CA GLU A 35 8.728 6.694 -4.744 1.00 0.58 C ATOM 177 C GLU A 35 7.451 6.048 -5.269 1.00 0.53 C ATOM 178 O GLU A 35 6.671 6.697 -5.953 1.00 0.58 O ATOM 179 CB GLU A 35 9.907 6.441 -5.665 1.00 0.72 C ATOM 180 CG GLU A 35 9.939 7.392 -6.849 1.00 1.17 C ATOM 181 CD GLU A 35 11.337 7.850 -7.195 1.00 1.51 C ATOM 182 OE1 GLU A 35 11.907 8.653 -6.426 1.00 1.97 O ATOM 183 OE2 GLU A 35 11.863 7.435 -8.247 1.00 2.02 O ATOM 0 H GLU A 35 9.718 5.440 -3.408 1.00 0.52 H new ATOM 0 HA GLU A 35 8.540 7.767 -4.702 1.00 0.58 H new ATOM 0 HB2 GLU A 35 10.833 6.540 -5.099 1.00 0.72 H new ATOM 0 HB3 GLU A 35 9.865 5.415 -6.029 1.00 0.72 H new ATOM 0 HG2 GLU A 35 9.498 6.900 -7.716 1.00 1.17 H new ATOM 0 HG3 GLU A 35 9.321 8.262 -6.627 1.00 1.17 H new ATOM 190 N ALA A 36 7.237 4.778 -4.941 1.00 0.47 N ATOM 191 CA ALA A 36 5.974 4.116 -5.239 1.00 0.45 C ATOM 192 C ALA A 36 4.876 4.705 -4.361 1.00 0.39 C ATOM 193 O ALA A 36 3.745 4.897 -4.799 1.00 0.40 O ATOM 194 CB ALA A 36 6.085 2.611 -5.018 1.00 0.52 C ATOM 0 H ALA A 36 7.922 4.188 -4.469 1.00 0.47 H new ATOM 0 HA ALA A 36 5.725 4.281 -6.287 1.00 0.45 H new ATOM 0 HB1 ALA A 36 5.130 2.138 -5.247 1.00 0.52 H new ATOM 0 HB2 ALA A 36 6.857 2.203 -5.670 1.00 0.52 H new ATOM 0 HB3 ALA A 36 6.347 2.414 -3.979 1.00 0.52 H new ATOM 200 N PHE A 37 5.244 5.000 -3.122 1.00 0.38 N ATOM 201 CA PHE A 37 4.376 5.687 -2.188 1.00 0.36 C ATOM 202 C PHE A 37 3.963 7.048 -2.750 1.00 0.37 C ATOM 203 O PHE A 37 2.793 7.421 -2.713 1.00 0.42 O ATOM 204 CB PHE A 37 5.131 5.842 -0.868 1.00 0.37 C ATOM 205 CG PHE A 37 4.429 6.650 0.173 1.00 0.39 C ATOM 206 CD1 PHE A 37 3.196 6.262 0.660 1.00 0.44 C ATOM 207 CD2 PHE A 37 5.021 7.792 0.676 1.00 0.52 C ATOM 208 CE1 PHE A 37 2.562 7.003 1.633 1.00 0.52 C ATOM 209 CE2 PHE A 37 4.396 8.539 1.646 1.00 0.61 C ATOM 210 CZ PHE A 37 3.163 8.146 2.128 1.00 0.58 C ATOM 0 H PHE A 37 6.160 4.766 -2.738 1.00 0.38 H new ATOM 0 HA PHE A 37 3.464 5.114 -2.023 1.00 0.36 H new ATOM 0 HB2 PHE A 37 5.330 4.850 -0.463 1.00 0.37 H new ATOM 0 HB3 PHE A 37 6.098 6.302 -1.072 1.00 0.37 H new ATOM 0 HD1 PHE A 37 2.725 5.370 0.275 1.00 0.44 H new ATOM 0 HD2 PHE A 37 5.986 8.102 0.303 1.00 0.52 H new ATOM 0 HE1 PHE A 37 1.598 6.692 2.008 1.00 0.52 H new ATOM 0 HE2 PHE A 37 4.868 9.431 2.030 1.00 0.61 H new ATOM 0 HZ PHE A 37 2.669 8.730 2.890 1.00 0.58 H new ATOM 220 N ASP A 38 4.940 7.771 -3.282 1.00 0.39 N ATOM 221 CA ASP A 38 4.691 9.064 -3.914 1.00 0.46 C ATOM 222 C ASP A 38 3.911 8.897 -5.210 1.00 0.44 C ATOM 223 O ASP A 38 3.029 9.694 -5.530 1.00 0.53 O ATOM 224 CB ASP A 38 6.011 9.760 -4.223 1.00 0.57 C ATOM 225 CG ASP A 38 5.804 11.127 -4.834 1.00 1.20 C ATOM 226 OD1 ASP A 38 5.408 12.057 -4.099 1.00 1.20 O ATOM 227 OD2 ASP A 38 6.016 11.275 -6.054 1.00 2.10 O ATOM 0 H ASP A 38 5.919 7.483 -3.289 1.00 0.39 H new ATOM 0 HA ASP A 38 4.105 9.666 -3.219 1.00 0.46 H new ATOM 0 HB2 ASP A 38 6.592 9.858 -3.306 1.00 0.57 H new ATOM 0 HB3 ASP A 38 6.595 9.143 -4.906 1.00 0.57 H new ATOM 232 N LEU A 39 4.278 7.870 -5.963 1.00 0.40 N ATOM 233 CA LEU A 39 3.629 7.540 -7.222 1.00 0.43 C ATOM 234 C LEU A 39 2.142 7.362 -7.025 1.00 0.46 C ATOM 235 O LEU A 39 1.330 8.076 -7.619 1.00 0.55 O ATOM 236 CB LEU A 39 4.240 6.240 -7.777 1.00 0.46 C ATOM 237 CG LEU A 39 3.652 5.670 -9.083 1.00 0.53 C ATOM 238 CD1 LEU A 39 2.289 5.037 -8.882 1.00 1.27 C ATOM 239 CD2 LEU A 39 3.591 6.736 -10.165 1.00 1.09 C ATOM 0 H LEU A 39 5.040 7.239 -5.715 1.00 0.40 H new ATOM 0 HA LEU A 39 3.786 8.356 -7.928 1.00 0.43 H new ATOM 0 HB2 LEU A 39 5.305 6.411 -7.936 1.00 0.46 H new ATOM 0 HB3 LEU A 39 4.152 5.473 -7.007 1.00 0.46 H new ATOM 0 HG LEU A 39 4.327 4.878 -9.408 1.00 0.53 H new ATOM 0 HD11 LEU A 39 1.923 4.652 -9.834 1.00 1.27 H new ATOM 0 HD12 LEU A 39 2.370 4.218 -8.167 1.00 1.27 H new ATOM 0 HD13 LEU A 39 1.593 5.785 -8.501 1.00 1.27 H new ATOM 0 HD21 LEU A 39 3.172 6.307 -11.075 1.00 1.09 H new ATOM 0 HD22 LEU A 39 2.961 7.560 -9.829 1.00 1.09 H new ATOM 0 HD23 LEU A 39 4.596 7.107 -10.367 1.00 1.09 H new ATOM 251 N PHE A 40 1.799 6.387 -6.199 1.00 0.48 N ATOM 252 CA PHE A 40 0.430 5.953 -6.093 1.00 0.58 C ATOM 253 C PHE A 40 -0.438 7.031 -5.459 1.00 0.55 C ATOM 254 O PHE A 40 -1.630 7.120 -5.742 1.00 0.63 O ATOM 255 CB PHE A 40 0.341 4.650 -5.306 1.00 0.74 C ATOM 256 CG PHE A 40 0.754 3.440 -6.087 1.00 0.55 C ATOM 257 CD1 PHE A 40 0.074 3.075 -7.236 1.00 0.92 C ATOM 258 CD2 PHE A 40 1.819 2.663 -5.667 1.00 0.74 C ATOM 259 CE1 PHE A 40 0.452 1.959 -7.955 1.00 1.38 C ATOM 260 CE2 PHE A 40 2.202 1.545 -6.378 1.00 1.01 C ATOM 261 CZ PHE A 40 1.518 1.193 -7.524 1.00 1.36 C ATOM 0 H PHE A 40 2.453 5.887 -5.597 1.00 0.48 H new ATOM 0 HA PHE A 40 0.053 5.771 -7.099 1.00 0.58 H new ATOM 0 HB2 PHE A 40 0.969 4.729 -4.419 1.00 0.74 H new ATOM 0 HB3 PHE A 40 -0.684 4.515 -4.960 1.00 0.74 H new ATOM 0 HD1 PHE A 40 -0.762 3.670 -7.574 1.00 0.92 H new ATOM 0 HD2 PHE A 40 2.357 2.935 -4.771 1.00 0.74 H new ATOM 0 HE1 PHE A 40 -0.084 1.685 -8.852 1.00 1.38 H new ATOM 0 HE2 PHE A 40 3.035 0.947 -6.039 1.00 1.01 H new ATOM 0 HZ PHE A 40 1.816 0.319 -8.084 1.00 1.36 H new ATOM 271 N ASP A 41 0.178 7.846 -4.604 1.00 0.53 N ATOM 272 CA ASP A 41 -0.503 8.987 -3.998 1.00 0.58 C ATOM 273 C ASP A 41 -0.810 10.029 -5.065 1.00 0.69 C ATOM 274 O ASP A 41 0.026 10.870 -5.408 1.00 1.27 O ATOM 275 CB ASP A 41 0.357 9.590 -2.878 1.00 0.65 C ATOM 276 CG ASP A 41 -0.202 10.887 -2.302 1.00 0.86 C ATOM 277 OD1 ASP A 41 -1.417 11.142 -2.427 1.00 1.23 O ATOM 278 OD2 ASP A 41 0.585 11.660 -1.714 1.00 1.32 O ATOM 0 H ASP A 41 1.150 7.736 -4.315 1.00 0.53 H new ATOM 0 HA ASP A 41 -1.442 8.650 -3.558 1.00 0.58 H new ATOM 0 HB2 ASP A 41 0.455 8.860 -2.075 1.00 0.65 H new ATOM 0 HB3 ASP A 41 1.359 9.777 -3.263 1.00 0.65 H new ATOM 283 N THR A 42 -2.013 9.950 -5.602 1.00 0.79 N ATOM 284 CA THR A 42 -2.431 10.823 -6.680 1.00 0.92 C ATOM 285 C THR A 42 -3.019 12.113 -6.124 1.00 1.07 C ATOM 286 O THR A 42 -3.242 13.076 -6.855 1.00 1.16 O ATOM 287 CB THR A 42 -3.461 10.118 -7.586 1.00 0.95 C ATOM 288 OG1 THR A 42 -4.581 9.667 -6.807 1.00 1.00 O ATOM 289 CG2 THR A 42 -2.833 8.934 -8.307 1.00 1.08 C ATOM 0 H THR A 42 -2.724 9.282 -5.304 1.00 0.79 H new ATOM 0 HA THR A 42 -1.553 11.067 -7.278 1.00 0.92 H new ATOM 0 HB THR A 42 -3.802 10.838 -8.330 1.00 0.95 H new ATOM 0 HG1 THR A 42 -4.274 9.025 -6.134 1.00 1.00 H new ATOM 0 HG21 THR A 42 -3.581 8.455 -8.939 1.00 1.08 H new ATOM 0 HG22 THR A 42 -2.005 9.282 -8.924 1.00 1.08 H new ATOM 0 HG23 THR A 42 -2.463 8.216 -7.575 1.00 1.08 H new ATOM 297 N ASN A 43 -3.259 12.119 -4.821 1.00 1.32 N ATOM 298 CA ASN A 43 -3.819 13.280 -4.142 1.00 1.61 C ATOM 299 C ASN A 43 -2.694 14.200 -3.679 1.00 1.76 C ATOM 300 O ASN A 43 -2.904 15.390 -3.436 1.00 2.46 O ATOM 301 CB ASN A 43 -4.652 12.816 -2.942 1.00 1.71 C ATOM 302 CG ASN A 43 -5.424 13.931 -2.259 1.00 2.12 C ATOM 303 OD1 ASN A 43 -5.590 13.924 -1.038 1.00 2.53 O ATOM 304 ND2 ASN A 43 -5.933 14.877 -3.029 1.00 2.70 N ATOM 0 H ASN A 43 -3.073 11.326 -4.208 1.00 1.32 H new ATOM 0 HA ASN A 43 -4.461 13.831 -4.830 1.00 1.61 H new ATOM 0 HB2 ASN A 43 -5.355 12.052 -3.274 1.00 1.71 H new ATOM 0 HB3 ASN A 43 -3.991 12.346 -2.214 1.00 1.71 H new ATOM 0 HD21 ASN A 43 -6.482 15.631 -2.616 1.00 2.70 H new ATOM 0 HD22 ASN A 43 -5.777 14.853 -4.037 1.00 2.70 H new ATOM 311 N LYS A 44 -1.497 13.623 -3.566 1.00 1.55 N ATOM 312 CA LYS A 44 -0.306 14.331 -3.098 1.00 1.81 C ATOM 313 C LYS A 44 -0.491 14.717 -1.632 1.00 1.50 C ATOM 314 O LYS A 44 0.053 15.713 -1.155 1.00 1.91 O ATOM 315 CB LYS A 44 -0.029 15.574 -3.951 1.00 2.48 C ATOM 316 CG LYS A 44 1.374 16.142 -3.775 1.00 3.08 C ATOM 317 CD LYS A 44 1.414 17.630 -4.074 1.00 3.52 C ATOM 318 CE LYS A 44 0.610 18.409 -3.047 1.00 3.55 C ATOM 319 NZ LYS A 44 0.586 19.864 -3.343 1.00 3.97 N ATOM 0 H LYS A 44 -1.326 12.645 -3.798 1.00 1.55 H new ATOM 0 HA LYS A 44 0.555 13.670 -3.193 1.00 1.81 H new ATOM 0 HB2 LYS A 44 -0.180 15.323 -5.001 1.00 2.48 H new ATOM 0 HB3 LYS A 44 -0.757 16.345 -3.699 1.00 2.48 H new ATOM 0 HG2 LYS A 44 1.713 15.966 -2.754 1.00 3.08 H new ATOM 0 HG3 LYS A 44 2.065 15.618 -4.436 1.00 3.08 H new ATOM 0 HD2 LYS A 44 2.447 17.978 -4.074 1.00 3.52 H new ATOM 0 HD3 LYS A 44 1.016 17.816 -5.071 1.00 3.52 H new ATOM 0 HE2 LYS A 44 -0.411 18.028 -3.021 1.00 3.55 H new ATOM 0 HE3 LYS A 44 1.035 18.248 -2.056 1.00 3.55 H new ATOM 0 HZ1 LYS A 44 0.027 20.357 -2.618 1.00 3.97 H new ATOM 0 HZ2 LYS A 44 1.558 20.235 -3.342 1.00 3.97 H new ATOM 0 HZ3 LYS A 44 0.157 20.021 -4.277 1.00 3.97 H new ATOM 333 N THR A 45 -1.249 13.904 -0.917 1.00 1.26 N ATOM 334 CA THR A 45 -1.560 14.180 0.471 1.00 1.25 C ATOM 335 C THR A 45 -0.575 13.463 1.394 1.00 1.10 C ATOM 336 O THR A 45 -0.585 13.668 2.610 1.00 1.73 O ATOM 337 CB THR A 45 -3.013 13.764 0.807 1.00 1.42 C ATOM 338 OG1 THR A 45 -3.371 14.188 2.132 1.00 1.60 O ATOM 339 CG2 THR A 45 -3.194 12.256 0.688 1.00 1.55 C ATOM 0 H THR A 45 -1.661 13.044 -1.279 1.00 1.26 H new ATOM 0 HA THR A 45 -1.468 15.254 0.630 1.00 1.25 H new ATOM 0 HB THR A 45 -3.668 14.253 0.086 1.00 1.42 H new ATOM 0 HG1 THR A 45 -2.559 14.307 2.668 1.00 1.60 H new ATOM 0 HG21 THR A 45 -4.224 11.993 0.930 1.00 1.55 H new ATOM 0 HG22 THR A 45 -2.969 11.942 -0.331 1.00 1.55 H new ATOM 0 HG23 THR A 45 -2.519 11.753 1.380 1.00 1.55 H new ATOM 347 N GLY A 46 0.277 12.627 0.807 1.00 0.82 N ATOM 348 CA GLY A 46 1.270 11.902 1.580 1.00 0.77 C ATOM 349 C GLY A 46 0.669 10.734 2.325 1.00 0.64 C ATOM 350 O GLY A 46 1.204 10.288 3.342 1.00 0.67 O ATOM 0 H GLY A 46 0.297 12.438 -0.195 1.00 0.82 H new ATOM 0 HA2 GLY A 46 2.054 11.542 0.914 1.00 0.77 H new ATOM 0 HA3 GLY A 46 1.742 12.581 2.291 1.00 0.77 H new ATOM 354 N SER A 47 -0.452 10.244 1.825 1.00 0.55 N ATOM 355 CA SER A 47 -1.165 9.141 2.446 1.00 0.54 C ATOM 356 C SER A 47 -2.073 8.479 1.416 1.00 0.49 C ATOM 357 O SER A 47 -2.549 9.144 0.502 1.00 0.55 O ATOM 358 CB SER A 47 -1.992 9.648 3.630 1.00 0.68 C ATOM 359 OG SER A 47 -1.178 10.311 4.588 1.00 1.33 O ATOM 0 H SER A 47 -0.894 10.599 0.977 1.00 0.55 H new ATOM 0 HA SER A 47 -0.446 8.409 2.814 1.00 0.54 H new ATOM 0 HB2 SER A 47 -2.763 10.330 3.271 1.00 0.68 H new ATOM 0 HB3 SER A 47 -2.504 8.810 4.103 1.00 0.68 H new ATOM 0 HG SER A 47 -0.235 10.111 4.410 1.00 1.33 H new ATOM 365 N ILE A 48 -2.315 7.182 1.562 1.00 0.45 N ATOM 366 CA ILE A 48 -3.099 6.442 0.577 1.00 0.45 C ATOM 367 C ILE A 48 -4.513 6.160 1.088 1.00 0.47 C ATOM 368 O ILE A 48 -4.712 5.848 2.263 1.00 0.52 O ATOM 369 CB ILE A 48 -2.411 5.105 0.196 1.00 0.51 C ATOM 370 CG1 ILE A 48 -1.024 5.357 -0.398 1.00 0.67 C ATOM 371 CG2 ILE A 48 -3.261 4.311 -0.789 1.00 1.11 C ATOM 372 CD1 ILE A 48 -1.027 6.283 -1.597 1.00 0.74 C ATOM 0 H ILE A 48 -1.983 6.622 2.347 1.00 0.45 H new ATOM 0 HA ILE A 48 -3.164 7.070 -0.311 1.00 0.45 H new ATOM 0 HB ILE A 48 -2.302 4.520 1.109 1.00 0.51 H new ATOM 0 HG12 ILE A 48 -0.381 5.780 0.374 1.00 0.67 H new ATOM 0 HG13 ILE A 48 -0.586 4.403 -0.690 1.00 0.67 H new ATOM 0 HG21 ILE A 48 -2.754 3.379 -1.038 1.00 1.11 H new ATOM 0 HG22 ILE A 48 -4.228 4.089 -0.338 1.00 1.11 H new ATOM 0 HG23 ILE A 48 -3.410 4.897 -1.696 1.00 1.11 H new ATOM 0 HD11 ILE A 48 -0.007 6.411 -1.960 1.00 0.74 H new ATOM 0 HD12 ILE A 48 -1.642 5.853 -2.387 1.00 0.74 H new ATOM 0 HD13 ILE A 48 -1.434 7.252 -1.307 1.00 0.74 H new ATOM 384 N ASP A 49 -5.481 6.266 0.184 1.00 0.50 N ATOM 385 CA ASP A 49 -6.886 6.006 0.493 1.00 0.57 C ATOM 386 C ASP A 49 -7.273 4.628 -0.043 1.00 0.54 C ATOM 387 O ASP A 49 -6.583 4.091 -0.900 1.00 0.51 O ATOM 388 CB ASP A 49 -7.757 7.094 -0.150 1.00 0.71 C ATOM 389 CG ASP A 49 -9.246 6.874 0.041 1.00 0.87 C ATOM 390 OD1 ASP A 49 -9.848 6.116 -0.747 1.00 0.87 O ATOM 391 OD2 ASP A 49 -9.828 7.473 0.964 1.00 1.51 O ATOM 0 H ASP A 49 -5.315 6.535 -0.786 1.00 0.50 H new ATOM 0 HA ASP A 49 -7.040 6.022 1.572 1.00 0.57 H new ATOM 0 HB2 ASP A 49 -7.484 8.062 0.271 1.00 0.71 H new ATOM 0 HB3 ASP A 49 -7.539 7.138 -1.217 1.00 0.71 H new ATOM 396 N TYR A 50 -8.372 4.056 0.447 1.00 0.63 N ATOM 397 CA TYR A 50 -8.772 2.705 0.048 1.00 0.68 C ATOM 398 C TYR A 50 -9.172 2.656 -1.429 1.00 0.67 C ATOM 399 O TYR A 50 -8.977 1.645 -2.101 1.00 0.75 O ATOM 400 CB TYR A 50 -9.917 2.188 0.934 1.00 0.88 C ATOM 401 CG TYR A 50 -11.280 2.762 0.615 1.00 1.36 C ATOM 402 CD1 TYR A 50 -11.648 4.032 1.036 1.00 1.76 C ATOM 403 CD2 TYR A 50 -12.203 2.018 -0.106 1.00 1.73 C ATOM 404 CE1 TYR A 50 -12.898 4.544 0.746 1.00 2.45 C ATOM 405 CE2 TYR A 50 -13.453 2.522 -0.398 1.00 2.37 C ATOM 406 CZ TYR A 50 -13.795 3.782 0.028 1.00 2.72 C ATOM 407 OH TYR A 50 -15.043 4.281 -0.264 1.00 3.44 O ATOM 0 H TYR A 50 -8.999 4.503 1.117 1.00 0.63 H new ATOM 0 HA TYR A 50 -7.909 2.053 0.184 1.00 0.68 H new ATOM 0 HB2 TYR A 50 -9.966 1.103 0.843 1.00 0.88 H new ATOM 0 HB3 TYR A 50 -9.680 2.410 1.975 1.00 0.88 H new ATOM 0 HD1 TYR A 50 -10.946 4.629 1.599 1.00 1.76 H new ATOM 0 HD2 TYR A 50 -11.938 1.027 -0.444 1.00 1.73 H new ATOM 0 HE1 TYR A 50 -13.171 5.534 1.079 1.00 2.45 H new ATOM 0 HE2 TYR A 50 -14.160 1.929 -0.959 1.00 2.37 H new ATOM 0 HH TYR A 50 -15.549 3.617 -0.777 1.00 3.44 H new ATOM 417 N HIS A 51 -9.713 3.756 -1.936 1.00 0.68 N ATOM 418 CA HIS A 51 -10.084 3.853 -3.344 1.00 0.81 C ATOM 419 C HIS A 51 -8.821 3.989 -4.183 1.00 0.70 C ATOM 420 O HIS A 51 -8.747 3.516 -5.315 1.00 0.73 O ATOM 421 CB HIS A 51 -11.007 5.061 -3.561 1.00 1.08 C ATOM 422 CG HIS A 51 -11.508 5.223 -4.968 1.00 1.40 C ATOM 423 ND1 HIS A 51 -12.798 4.930 -5.343 1.00 2.17 N ATOM 424 CD2 HIS A 51 -10.892 5.682 -6.081 1.00 1.97 C ATOM 425 CE1 HIS A 51 -12.952 5.194 -6.628 1.00 2.73 C ATOM 426 NE2 HIS A 51 -11.809 5.655 -7.101 1.00 2.56 N ATOM 0 H HIS A 51 -9.906 4.597 -1.392 1.00 0.68 H new ATOM 0 HA HIS A 51 -10.620 2.954 -3.647 1.00 0.81 H new ATOM 0 HB2 HIS A 51 -11.863 4.971 -2.893 1.00 1.08 H new ATOM 0 HB3 HIS A 51 -10.472 5.966 -3.274 1.00 1.08 H new ATOM 0 HD2 HIS A 51 -9.866 6.010 -6.154 1.00 1.97 H new ATOM 0 HE1 HIS A 51 -13.860 5.056 -7.196 1.00 2.73 H new ATOM 0 HE2 HIS A 51 -11.636 5.943 -8.064 1.00 2.56 H new ATOM 435 N GLU A 52 -7.827 4.625 -3.591 1.00 0.68 N ATOM 436 CA GLU A 52 -6.546 4.861 -4.234 1.00 0.69 C ATOM 437 C GLU A 52 -5.675 3.609 -4.161 1.00 0.55 C ATOM 438 O GLU A 52 -4.867 3.337 -5.049 1.00 0.56 O ATOM 439 CB GLU A 52 -5.878 6.050 -3.546 1.00 0.92 C ATOM 440 CG GLU A 52 -4.472 6.366 -4.014 1.00 0.72 C ATOM 441 CD GLU A 52 -4.071 7.765 -3.614 1.00 0.85 C ATOM 442 OE1 GLU A 52 -3.800 7.982 -2.423 1.00 1.19 O ATOM 443 OE2 GLU A 52 -4.086 8.663 -4.486 1.00 1.21 O ATOM 0 H GLU A 52 -7.886 4.996 -2.643 1.00 0.68 H new ATOM 0 HA GLU A 52 -6.687 5.090 -5.290 1.00 0.69 H new ATOM 0 HB2 GLU A 52 -6.500 6.932 -3.698 1.00 0.92 H new ATOM 0 HB3 GLU A 52 -5.851 5.859 -2.473 1.00 0.92 H new ATOM 0 HG2 GLU A 52 -3.773 5.647 -3.587 1.00 0.72 H new ATOM 0 HG3 GLU A 52 -4.414 6.263 -5.098 1.00 0.72 H new ATOM 450 N LEU A 53 -5.877 2.834 -3.105 1.00 0.51 N ATOM 451 CA LEU A 53 -5.170 1.576 -2.908 1.00 0.48 C ATOM 452 C LEU A 53 -5.446 0.612 -4.057 1.00 0.42 C ATOM 453 O LEU A 53 -4.624 -0.242 -4.370 1.00 0.44 O ATOM 454 CB LEU A 53 -5.604 0.940 -1.581 1.00 0.55 C ATOM 455 CG LEU A 53 -4.914 -0.376 -1.218 1.00 0.59 C ATOM 456 CD1 LEU A 53 -3.423 -0.162 -1.005 1.00 1.23 C ATOM 457 CD2 LEU A 53 -5.554 -0.983 0.021 1.00 1.41 C ATOM 0 H LEU A 53 -6.536 3.060 -2.360 1.00 0.51 H new ATOM 0 HA LEU A 53 -4.100 1.782 -2.881 1.00 0.48 H new ATOM 0 HB2 LEU A 53 -5.423 1.657 -0.780 1.00 0.55 H new ATOM 0 HB3 LEU A 53 -6.680 0.767 -1.617 1.00 0.55 H new ATOM 0 HG LEU A 53 -5.039 -1.072 -2.047 1.00 0.59 H new ATOM 0 HD11 LEU A 53 -2.952 -1.111 -0.748 1.00 1.23 H new ATOM 0 HD12 LEU A 53 -2.977 0.228 -1.920 1.00 1.23 H new ATOM 0 HD13 LEU A 53 -3.270 0.550 -0.194 1.00 1.23 H new ATOM 0 HD21 LEU A 53 -5.053 -1.919 0.268 1.00 1.41 H new ATOM 0 HD22 LEU A 53 -5.459 -0.289 0.856 1.00 1.41 H new ATOM 0 HD23 LEU A 53 -6.609 -1.176 -0.172 1.00 1.41 H new ATOM 469 N LYS A 54 -6.595 0.777 -4.698 1.00 0.44 N ATOM 470 CA LYS A 54 -7.026 -0.128 -5.755 1.00 0.47 C ATOM 471 C LYS A 54 -6.038 -0.154 -6.921 1.00 0.45 C ATOM 472 O LYS A 54 -5.774 -1.215 -7.487 1.00 0.55 O ATOM 473 CB LYS A 54 -8.422 0.259 -6.243 1.00 0.59 C ATOM 474 CG LYS A 54 -9.478 0.180 -5.152 1.00 1.36 C ATOM 475 CD LYS A 54 -10.854 0.582 -5.666 1.00 1.61 C ATOM 476 CE LYS A 54 -11.400 -0.414 -6.678 1.00 1.79 C ATOM 477 NZ LYS A 54 -11.618 -1.755 -6.074 1.00 2.47 N ATOM 0 H LYS A 54 -7.249 1.535 -4.503 1.00 0.44 H new ATOM 0 HA LYS A 54 -7.060 -1.134 -5.337 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -8.393 1.274 -6.640 1.00 0.59 H new ATOM 0 HB3 LYS A 54 -8.708 -0.397 -7.065 1.00 0.59 H new ATOM 0 HG2 LYS A 54 -9.519 -0.836 -4.759 1.00 1.36 H new ATOM 0 HG3 LYS A 54 -9.195 0.830 -4.324 1.00 1.36 H new ATOM 0 HD2 LYS A 54 -11.545 0.661 -4.827 1.00 1.61 H new ATOM 0 HD3 LYS A 54 -10.795 1.569 -6.125 1.00 1.61 H new ATOM 0 HE2 LYS A 54 -12.341 -0.041 -7.083 1.00 1.79 H new ATOM 0 HE3 LYS A 54 -10.705 -0.501 -7.513 1.00 1.79 H new ATOM 0 HZ1 LYS A 54 -12.216 -2.327 -6.704 1.00 2.47 H new ATOM 0 HZ2 LYS A 54 -10.702 -2.229 -5.942 1.00 2.47 H new ATOM 0 HZ3 LYS A 54 -12.089 -1.648 -5.153 1.00 2.47 H new ATOM 491 N VAL A 55 -5.475 1.001 -7.267 1.00 0.44 N ATOM 492 CA VAL A 55 -4.518 1.063 -8.369 1.00 0.48 C ATOM 493 C VAL A 55 -3.163 0.528 -7.923 1.00 0.46 C ATOM 494 O VAL A 55 -2.406 -0.023 -8.723 1.00 0.50 O ATOM 495 CB VAL A 55 -4.358 2.494 -8.938 1.00 0.60 C ATOM 496 CG1 VAL A 55 -5.697 3.030 -9.424 1.00 1.21 C ATOM 497 CG2 VAL A 55 -3.741 3.436 -7.917 1.00 1.16 C ATOM 0 H VAL A 55 -5.660 1.893 -6.809 1.00 0.44 H new ATOM 0 HA VAL A 55 -4.915 0.438 -9.169 1.00 0.48 H new ATOM 0 HB VAL A 55 -3.677 2.438 -9.787 1.00 0.60 H new ATOM 0 HG11 VAL A 55 -5.564 4.037 -9.820 1.00 1.21 H new ATOM 0 HG12 VAL A 55 -6.086 2.380 -10.208 1.00 1.21 H new ATOM 0 HG13 VAL A 55 -6.401 3.058 -8.593 1.00 1.21 H new ATOM 0 HG21 VAL A 55 -3.644 4.431 -8.352 1.00 1.16 H new ATOM 0 HG22 VAL A 55 -4.380 3.486 -7.035 1.00 1.16 H new ATOM 0 HG23 VAL A 55 -2.756 3.068 -7.631 1.00 1.16 H new ATOM 507 N ALA A 56 -2.872 0.675 -6.635 1.00 0.46 N ATOM 508 CA ALA A 56 -1.645 0.145 -6.065 1.00 0.51 C ATOM 509 C ALA A 56 -1.691 -1.374 -6.052 1.00 0.49 C ATOM 510 O ALA A 56 -0.778 -2.037 -6.544 1.00 0.58 O ATOM 511 CB ALA A 56 -1.432 0.690 -4.659 1.00 0.55 C ATOM 0 H ALA A 56 -3.473 1.158 -5.967 1.00 0.46 H new ATOM 0 HA ALA A 56 -0.804 0.462 -6.682 1.00 0.51 H new ATOM 0 HB1 ALA A 56 -0.509 0.283 -4.247 1.00 0.55 H new ATOM 0 HB2 ALA A 56 -1.364 1.777 -4.697 1.00 0.55 H new ATOM 0 HB3 ALA A 56 -2.271 0.400 -4.026 1.00 0.55 H new ATOM 517 N MET A 57 -2.778 -1.912 -5.516 1.00 0.44 N ATOM 518 CA MET A 57 -2.978 -3.355 -5.431 1.00 0.49 C ATOM 519 C MET A 57 -2.906 -3.991 -6.814 1.00 0.48 C ATOM 520 O MET A 57 -2.394 -5.099 -6.972 1.00 0.55 O ATOM 521 CB MET A 57 -4.330 -3.664 -4.789 1.00 0.59 C ATOM 522 CG MET A 57 -4.484 -3.075 -3.397 1.00 0.70 C ATOM 523 SD MET A 57 -3.471 -3.901 -2.164 1.00 1.75 S ATOM 524 CE MET A 57 -4.410 -5.408 -1.949 1.00 1.48 C ATOM 0 H MET A 57 -3.545 -1.363 -5.128 1.00 0.44 H new ATOM 0 HA MET A 57 -2.184 -3.774 -4.812 1.00 0.49 H new ATOM 0 HB2 MET A 57 -5.124 -3.279 -5.429 1.00 0.59 H new ATOM 0 HB3 MET A 57 -4.460 -4.745 -4.735 1.00 0.59 H new ATOM 0 HG2 MET A 57 -4.221 -2.018 -3.426 1.00 0.70 H new ATOM 0 HG3 MET A 57 -5.530 -3.135 -3.098 1.00 0.70 H new ATOM 0 HE1 MET A 57 -3.873 -6.079 -1.279 1.00 1.48 H new ATOM 0 HE2 MET A 57 -5.384 -5.172 -1.521 1.00 1.48 H new ATOM 0 HE3 MET A 57 -4.546 -5.893 -2.916 1.00 1.48 H new ATOM 534 N ARG A 58 -3.425 -3.281 -7.808 1.00 0.48 N ATOM 535 CA ARG A 58 -3.367 -3.738 -9.190 1.00 0.55 C ATOM 536 C ARG A 58 -1.921 -3.820 -9.679 1.00 0.59 C ATOM 537 O ARG A 58 -1.479 -4.866 -10.153 1.00 0.68 O ATOM 538 CB ARG A 58 -4.173 -2.802 -10.093 1.00 0.68 C ATOM 539 CG ARG A 58 -3.951 -3.051 -11.575 1.00 1.10 C ATOM 540 CD ARG A 58 -4.763 -2.099 -12.437 1.00 1.25 C ATOM 541 NE ARG A 58 -6.197 -2.376 -12.373 1.00 1.66 N ATOM 542 CZ ARG A 58 -7.117 -1.686 -13.049 1.00 2.15 C ATOM 543 NH1 ARG A 58 -6.750 -0.684 -13.845 1.00 2.27 N ATOM 544 NH2 ARG A 58 -8.400 -2.012 -12.943 1.00 2.97 N ATOM 0 H ARG A 58 -3.892 -2.383 -7.682 1.00 0.48 H new ATOM 0 HA ARG A 58 -3.802 -4.737 -9.234 1.00 0.55 H new ATOM 0 HB2 ARG A 58 -5.233 -2.917 -9.868 1.00 0.68 H new ATOM 0 HB3 ARG A 58 -3.908 -1.770 -9.862 1.00 0.68 H new ATOM 0 HG2 ARG A 58 -2.892 -2.938 -11.808 1.00 1.10 H new ATOM 0 HG3 ARG A 58 -4.222 -4.079 -11.815 1.00 1.10 H new ATOM 0 HD2 ARG A 58 -4.579 -1.074 -12.115 1.00 1.25 H new ATOM 0 HD3 ARG A 58 -4.427 -2.173 -13.471 1.00 1.25 H new ATOM 0 HE ARG A 58 -6.512 -3.141 -11.777 1.00 1.66 H new ATOM 0 HH11 ARG A 58 -5.763 -0.442 -13.939 1.00 2.27 H new ATOM 0 HH12 ARG A 58 -7.455 -0.158 -14.361 1.00 2.27 H new ATOM 0 HH21 ARG A 58 -8.681 -2.789 -12.345 1.00 2.97 H new ATOM 0 HH22 ARG A 58 -9.104 -1.485 -13.459 1.00 2.97 H new ATOM 558 N ALA A 59 -1.192 -2.717 -9.543 1.00 0.60 N ATOM 559 CA ALA A 59 0.179 -2.640 -10.040 1.00 0.72 C ATOM 560 C ALA A 59 1.108 -3.599 -9.300 1.00 0.73 C ATOM 561 O ALA A 59 2.005 -4.192 -9.901 1.00 0.84 O ATOM 562 CB ALA A 59 0.699 -1.216 -9.936 1.00 0.81 C ATOM 0 H ALA A 59 -1.526 -1.865 -9.093 1.00 0.60 H new ATOM 0 HA ALA A 59 0.165 -2.940 -11.088 1.00 0.72 H new ATOM 0 HB1 ALA A 59 1.722 -1.174 -10.310 1.00 0.81 H new ATOM 0 HB2 ALA A 59 0.068 -0.554 -10.529 1.00 0.81 H new ATOM 0 HB3 ALA A 59 0.680 -0.897 -8.894 1.00 0.81 H new ATOM 568 N LEU A 60 0.900 -3.741 -7.997 1.00 0.68 N ATOM 569 CA LEU A 60 1.692 -4.665 -7.191 1.00 0.78 C ATOM 570 C LEU A 60 1.368 -6.100 -7.567 1.00 0.78 C ATOM 571 O LEU A 60 2.252 -6.956 -7.630 1.00 0.96 O ATOM 572 CB LEU A 60 1.401 -4.466 -5.710 1.00 0.80 C ATOM 573 CG LEU A 60 1.653 -3.066 -5.167 1.00 0.95 C ATOM 574 CD1 LEU A 60 1.041 -2.944 -3.786 1.00 1.82 C ATOM 575 CD2 LEU A 60 3.143 -2.758 -5.132 1.00 1.32 C ATOM 0 H LEU A 60 0.190 -3.228 -7.475 1.00 0.68 H new ATOM 0 HA LEU A 60 2.746 -4.463 -7.383 1.00 0.78 H new ATOM 0 HB2 LEU A 60 0.358 -4.724 -5.526 1.00 0.80 H new ATOM 0 HB3 LEU A 60 2.009 -5.170 -5.142 1.00 0.80 H new ATOM 0 HG LEU A 60 1.184 -2.337 -5.828 1.00 0.95 H new ATOM 0 HD11 LEU A 60 1.221 -1.942 -3.396 1.00 1.82 H new ATOM 0 HD12 LEU A 60 -0.033 -3.123 -3.847 1.00 1.82 H new ATOM 0 HD13 LEU A 60 1.494 -3.679 -3.121 1.00 1.82 H new ATOM 0 HD21 LEU A 60 3.298 -1.753 -4.741 1.00 1.32 H new ATOM 0 HD22 LEU A 60 3.649 -3.479 -4.490 1.00 1.32 H new ATOM 0 HD23 LEU A 60 3.551 -2.821 -6.141 1.00 1.32 H new ATOM 587 N GLY A 61 0.088 -6.353 -7.797 1.00 0.68 N ATOM 588 CA GLY A 61 -0.346 -7.662 -8.213 1.00 0.72 C ATOM 589 C GLY A 61 -1.085 -8.420 -7.131 1.00 0.75 C ATOM 590 O GLY A 61 -0.673 -9.508 -6.732 1.00 0.96 O ATOM 0 H GLY A 61 -0.660 -5.666 -7.701 1.00 0.68 H new ATOM 0 HA2 GLY A 61 -0.994 -7.563 -9.084 1.00 0.72 H new ATOM 0 HA3 GLY A 61 0.522 -8.243 -8.526 1.00 0.72 H new ATOM 594 N PHE A 62 -2.177 -7.846 -6.648 1.00 0.72 N ATOM 595 CA PHE A 62 -3.032 -8.522 -5.682 1.00 0.80 C ATOM 596 C PHE A 62 -4.425 -8.719 -6.258 1.00 0.89 C ATOM 597 O PHE A 62 -4.876 -7.929 -7.088 1.00 1.01 O ATOM 598 CB PHE A 62 -3.144 -7.724 -4.384 1.00 0.78 C ATOM 599 CG PHE A 62 -1.846 -7.540 -3.658 1.00 0.80 C ATOM 600 CD1 PHE A 62 -1.208 -8.615 -3.063 1.00 0.97 C ATOM 601 CD2 PHE A 62 -1.276 -6.286 -3.558 1.00 0.80 C ATOM 602 CE1 PHE A 62 -0.019 -8.438 -2.382 1.00 1.08 C ATOM 603 CE2 PHE A 62 -0.091 -6.103 -2.878 1.00 0.91 C ATOM 604 CZ PHE A 62 0.540 -7.179 -2.288 1.00 1.03 C ATOM 0 H PHE A 62 -2.493 -6.912 -6.909 1.00 0.72 H new ATOM 0 HA PHE A 62 -2.578 -9.489 -5.465 1.00 0.80 H new ATOM 0 HB2 PHE A 62 -3.563 -6.743 -4.609 1.00 0.78 H new ATOM 0 HB3 PHE A 62 -3.849 -8.227 -3.722 1.00 0.78 H new ATOM 0 HD1 PHE A 62 -1.644 -9.601 -3.132 1.00 0.97 H new ATOM 0 HD2 PHE A 62 -1.764 -5.439 -4.018 1.00 0.80 H new ATOM 0 HE1 PHE A 62 0.473 -9.283 -1.924 1.00 1.08 H new ATOM 0 HE2 PHE A 62 0.344 -5.117 -2.807 1.00 0.91 H new ATOM 0 HZ PHE A 62 1.468 -7.037 -1.754 1.00 1.03 H new ATOM 614 N ASP A 63 -5.107 -9.760 -5.809 1.00 1.21 N ATOM 615 CA ASP A 63 -6.474 -10.014 -6.231 1.00 1.42 C ATOM 616 C ASP A 63 -7.396 -10.012 -5.019 1.00 1.36 C ATOM 617 O ASP A 63 -7.683 -11.054 -4.433 1.00 1.98 O ATOM 618 CB ASP A 63 -6.576 -11.343 -6.983 1.00 1.81 C ATOM 619 CG ASP A 63 -7.976 -11.608 -7.496 1.00 2.36 C ATOM 620 OD1 ASP A 63 -8.437 -10.871 -8.388 1.00 2.85 O ATOM 621 OD2 ASP A 63 -8.616 -12.572 -7.024 1.00 2.74 O ATOM 0 H ASP A 63 -4.735 -10.444 -5.151 1.00 1.21 H new ATOM 0 HA ASP A 63 -6.782 -9.221 -6.913 1.00 1.42 H new ATOM 0 HB2 ASP A 63 -5.879 -11.338 -7.821 1.00 1.81 H new ATOM 0 HB3 ASP A 63 -6.274 -12.156 -6.322 1.00 1.81 H new ATOM 626 N VAL A 64 -7.815 -8.822 -4.615 1.00 0.90 N ATOM 627 CA VAL A 64 -8.663 -8.674 -3.438 1.00 0.93 C ATOM 628 C VAL A 64 -10.042 -8.131 -3.800 1.00 0.86 C ATOM 629 O VAL A 64 -10.980 -8.231 -3.012 1.00 0.95 O ATOM 630 CB VAL A 64 -8.011 -7.757 -2.386 1.00 1.16 C ATOM 631 CG1 VAL A 64 -6.801 -8.434 -1.761 1.00 1.35 C ATOM 632 CG2 VAL A 64 -7.616 -6.434 -3.018 1.00 1.33 C ATOM 0 H VAL A 64 -7.583 -7.946 -5.083 1.00 0.90 H new ATOM 0 HA VAL A 64 -8.781 -9.671 -3.014 1.00 0.93 H new ATOM 0 HB VAL A 64 -8.737 -7.563 -1.596 1.00 1.16 H new ATOM 0 HG11 VAL A 64 -6.355 -7.770 -1.021 1.00 1.35 H new ATOM 0 HG12 VAL A 64 -7.112 -9.360 -1.277 1.00 1.35 H new ATOM 0 HG13 VAL A 64 -6.068 -8.658 -2.536 1.00 1.35 H new ATOM 0 HG21 VAL A 64 -7.156 -5.794 -2.265 1.00 1.33 H new ATOM 0 HG22 VAL A 64 -6.905 -6.614 -3.824 1.00 1.33 H new ATOM 0 HG23 VAL A 64 -8.503 -5.943 -3.419 1.00 1.33 H new ATOM 642 N LYS A 65 -10.167 -7.576 -5.008 1.00 0.88 N ATOM 643 CA LYS A 65 -11.442 -7.044 -5.490 1.00 0.94 C ATOM 644 C LYS A 65 -11.968 -5.955 -4.549 1.00 0.80 C ATOM 645 O LYS A 65 -11.215 -5.415 -3.745 1.00 0.74 O ATOM 646 CB LYS A 65 -12.457 -8.181 -5.644 1.00 1.18 C ATOM 647 CG LYS A 65 -12.053 -9.217 -6.684 1.00 1.54 C ATOM 648 CD LYS A 65 -12.142 -10.627 -6.124 1.00 1.58 C ATOM 649 CE LYS A 65 -11.096 -10.856 -5.043 1.00 1.75 C ATOM 650 NZ LYS A 65 -11.334 -12.107 -4.273 1.00 2.52 N ATOM 0 H LYS A 65 -9.398 -7.484 -5.671 1.00 0.88 H new ATOM 0 HA LYS A 65 -11.286 -6.586 -6.467 1.00 0.94 H new ATOM 0 HB2 LYS A 65 -12.586 -8.675 -4.681 1.00 1.18 H new ATOM 0 HB3 LYS A 65 -13.424 -7.760 -5.919 1.00 1.18 H new ATOM 0 HG2 LYS A 65 -12.699 -9.129 -7.558 1.00 1.54 H new ATOM 0 HG3 LYS A 65 -11.035 -9.020 -7.019 1.00 1.54 H new ATOM 0 HD2 LYS A 65 -13.137 -10.796 -5.713 1.00 1.58 H new ATOM 0 HD3 LYS A 65 -12.003 -11.350 -6.928 1.00 1.58 H new ATOM 0 HE2 LYS A 65 -10.108 -10.898 -5.502 1.00 1.75 H new ATOM 0 HE3 LYS A 65 -11.094 -10.007 -4.359 1.00 1.75 H new ATOM 0 HZ1 LYS A 65 -10.961 -11.997 -3.308 1.00 2.52 H new ATOM 0 HZ2 LYS A 65 -12.355 -12.299 -4.230 1.00 2.52 H new ATOM 0 HZ3 LYS A 65 -10.852 -12.900 -4.742 1.00 2.52 H new ATOM 664 N LYS A 66 -13.252 -5.634 -4.643 1.00 0.87 N ATOM 665 CA LYS A 66 -13.814 -4.532 -3.864 1.00 0.86 C ATOM 666 C LYS A 66 -13.949 -4.870 -2.369 1.00 0.77 C ATOM 667 O LYS A 66 -13.353 -4.185 -1.537 1.00 0.71 O ATOM 668 CB LYS A 66 -15.165 -4.094 -4.440 1.00 1.09 C ATOM 669 CG LYS A 66 -15.794 -2.929 -3.690 1.00 1.44 C ATOM 670 CD LYS A 66 -17.111 -2.507 -4.315 1.00 1.88 C ATOM 671 CE LYS A 66 -18.138 -3.625 -4.259 1.00 2.34 C ATOM 672 NZ LYS A 66 -19.406 -3.237 -4.925 1.00 2.94 N ATOM 0 H LYS A 66 -13.921 -6.115 -5.245 1.00 0.87 H new ATOM 0 HA LYS A 66 -13.110 -3.704 -3.940 1.00 0.86 H new ATOM 0 HB2 LYS A 66 -15.032 -3.814 -5.485 1.00 1.09 H new ATOM 0 HB3 LYS A 66 -15.851 -4.941 -4.422 1.00 1.09 H new ATOM 0 HG2 LYS A 66 -15.958 -3.211 -2.650 1.00 1.44 H new ATOM 0 HG3 LYS A 66 -15.105 -2.084 -3.686 1.00 1.44 H new ATOM 0 HD2 LYS A 66 -17.497 -1.630 -3.795 1.00 1.88 H new ATOM 0 HD3 LYS A 66 -16.946 -2.215 -5.352 1.00 1.88 H new ATOM 0 HE2 LYS A 66 -17.733 -4.516 -4.738 1.00 2.34 H new ATOM 0 HE3 LYS A 66 -18.337 -3.885 -3.219 1.00 2.34 H new ATOM 0 HZ1 LYS A 66 -20.083 -4.024 -4.867 1.00 2.94 H new ATOM 0 HZ2 LYS A 66 -19.805 -2.401 -4.452 1.00 2.94 H new ATOM 0 HZ3 LYS A 66 -19.219 -3.013 -5.923 1.00 2.94 H new ATOM 686 N PRO A 67 -14.711 -5.930 -1.993 1.00 0.88 N ATOM 687 CA PRO A 67 -15.018 -6.223 -0.581 1.00 0.94 C ATOM 688 C PRO A 67 -13.775 -6.433 0.284 1.00 0.86 C ATOM 689 O PRO A 67 -13.741 -6.033 1.452 1.00 0.89 O ATOM 690 CB PRO A 67 -15.847 -7.512 -0.637 1.00 1.14 C ATOM 691 CG PRO A 67 -15.577 -8.092 -1.981 1.00 1.21 C ATOM 692 CD PRO A 67 -15.329 -6.923 -2.889 1.00 1.05 C ATOM 0 HA PRO A 67 -15.536 -5.383 -0.119 1.00 0.94 H new ATOM 0 HB2 PRO A 67 -15.556 -8.202 0.155 1.00 1.14 H new ATOM 0 HB3 PRO A 67 -16.909 -7.303 -0.504 1.00 1.14 H new ATOM 0 HG2 PRO A 67 -14.713 -8.756 -1.954 1.00 1.21 H new ATOM 0 HG3 PRO A 67 -16.424 -8.684 -2.328 1.00 1.21 H new ATOM 0 HD2 PRO A 67 -14.669 -7.187 -3.715 1.00 1.05 H new ATOM 0 HD3 PRO A 67 -16.254 -6.550 -3.328 1.00 1.05 H new ATOM 700 N GLU A 68 -12.745 -7.039 -0.284 1.00 0.82 N ATOM 701 CA GLU A 68 -11.549 -7.344 0.478 1.00 0.81 C ATOM 702 C GLU A 68 -10.571 -6.173 0.467 1.00 0.68 C ATOM 703 O GLU A 68 -9.649 -6.132 1.272 1.00 0.72 O ATOM 704 CB GLU A 68 -10.871 -8.606 -0.063 1.00 0.91 C ATOM 705 CG GLU A 68 -11.763 -9.838 -0.026 1.00 1.63 C ATOM 706 CD GLU A 68 -11.071 -11.087 -0.538 1.00 1.76 C ATOM 707 OE1 GLU A 68 -10.428 -11.791 0.268 1.00 1.77 O ATOM 708 OE2 GLU A 68 -11.148 -11.355 -1.756 1.00 2.38 O ATOM 0 H GLU A 68 -12.714 -7.327 -1.262 1.00 0.82 H new ATOM 0 HA GLU A 68 -11.851 -7.523 1.510 1.00 0.81 H new ATOM 0 HB2 GLU A 68 -10.555 -8.427 -1.091 1.00 0.91 H new ATOM 0 HB3 GLU A 68 -9.970 -8.802 0.518 1.00 0.91 H new ATOM 0 HG2 GLU A 68 -12.096 -10.008 0.998 1.00 1.63 H new ATOM 0 HG3 GLU A 68 -12.655 -9.652 -0.625 1.00 1.63 H new ATOM 715 N ILE A 69 -10.776 -5.208 -0.428 1.00 0.65 N ATOM 716 CA ILE A 69 -9.818 -4.118 -0.580 1.00 0.63 C ATOM 717 C ILE A 69 -10.084 -2.975 0.399 1.00 0.58 C ATOM 718 O ILE A 69 -9.144 -2.385 0.934 1.00 0.61 O ATOM 719 CB ILE A 69 -9.776 -3.598 -2.039 1.00 0.72 C ATOM 720 CG1 ILE A 69 -8.395 -3.046 -2.375 1.00 0.76 C ATOM 721 CG2 ILE A 69 -10.837 -2.535 -2.293 1.00 1.23 C ATOM 722 CD1 ILE A 69 -8.127 -3.018 -3.863 1.00 0.95 C ATOM 0 H ILE A 69 -11.584 -5.159 -1.049 1.00 0.65 H new ATOM 0 HA ILE A 69 -8.837 -4.529 -0.340 1.00 0.63 H new ATOM 0 HB ILE A 69 -9.989 -4.447 -2.689 1.00 0.72 H new ATOM 0 HG12 ILE A 69 -8.304 -2.037 -1.974 1.00 0.76 H new ATOM 0 HG13 ILE A 69 -7.635 -3.654 -1.884 1.00 0.76 H new ATOM 0 HG21 ILE A 69 -10.773 -2.197 -3.327 1.00 1.23 H new ATOM 0 HG22 ILE A 69 -11.825 -2.956 -2.109 1.00 1.23 H new ATOM 0 HG23 ILE A 69 -10.673 -1.690 -1.625 1.00 1.23 H new ATOM 0 HD11 ILE A 69 -7.130 -2.616 -4.046 1.00 0.95 H new ATOM 0 HD12 ILE A 69 -8.189 -4.030 -4.263 1.00 0.95 H new ATOM 0 HD13 ILE A 69 -8.868 -2.387 -4.354 1.00 0.95 H new ATOM 734 N LEU A 70 -11.346 -2.668 0.665 1.00 0.60 N ATOM 735 CA LEU A 70 -11.648 -1.605 1.614 1.00 0.63 C ATOM 736 C LEU A 70 -11.517 -2.129 3.037 1.00 0.63 C ATOM 737 O LEU A 70 -11.112 -1.395 3.942 1.00 0.68 O ATOM 738 CB LEU A 70 -13.030 -0.953 1.352 1.00 0.77 C ATOM 739 CG LEU A 70 -14.302 -1.718 1.776 1.00 0.82 C ATOM 740 CD1 LEU A 70 -14.307 -3.125 1.223 1.00 1.13 C ATOM 741 CD2 LEU A 70 -14.467 -1.729 3.291 1.00 1.08 C ATOM 0 H LEU A 70 -12.158 -3.125 0.250 1.00 0.60 H new ATOM 0 HA LEU A 70 -10.918 -0.807 1.474 1.00 0.63 H new ATOM 0 HB2 LEU A 70 -13.041 0.013 1.857 1.00 0.77 H new ATOM 0 HB3 LEU A 70 -13.105 -0.754 0.283 1.00 0.77 H new ATOM 0 HG LEU A 70 -15.155 -1.188 1.352 1.00 0.82 H new ATOM 0 HD11 LEU A 70 -15.216 -3.637 1.540 1.00 1.13 H new ATOM 0 HD12 LEU A 70 -14.272 -3.088 0.134 1.00 1.13 H new ATOM 0 HD13 LEU A 70 -13.437 -3.666 1.596 1.00 1.13 H new ATOM 0 HD21 LEU A 70 -15.372 -2.276 3.554 1.00 1.08 H new ATOM 0 HD22 LEU A 70 -13.604 -2.214 3.747 1.00 1.08 H new ATOM 0 HD23 LEU A 70 -14.543 -0.705 3.656 1.00 1.08 H new ATOM 753 N GLU A 71 -11.849 -3.404 3.232 1.00 0.64 N ATOM 754 CA GLU A 71 -11.710 -4.020 4.539 1.00 0.70 C ATOM 755 C GLU A 71 -10.233 -4.219 4.820 1.00 0.65 C ATOM 756 O GLU A 71 -9.794 -4.188 5.961 1.00 0.70 O ATOM 757 CB GLU A 71 -12.464 -5.350 4.600 1.00 0.85 C ATOM 758 CG GLU A 71 -13.058 -5.662 5.972 1.00 1.17 C ATOM 759 CD GLU A 71 -12.017 -5.978 7.032 1.00 1.22 C ATOM 760 OE1 GLU A 71 -11.663 -7.165 7.178 1.00 1.66 O ATOM 761 OE2 GLU A 71 -11.568 -5.047 7.736 1.00 1.61 O ATOM 0 H GLU A 71 -12.212 -4.021 2.506 1.00 0.64 H new ATOM 0 HA GLU A 71 -12.144 -3.371 5.300 1.00 0.70 H new ATOM 0 HB2 GLU A 71 -13.266 -5.336 3.862 1.00 0.85 H new ATOM 0 HB3 GLU A 71 -11.785 -6.155 4.317 1.00 0.85 H new ATOM 0 HG2 GLU A 71 -13.653 -4.810 6.302 1.00 1.17 H new ATOM 0 HG3 GLU A 71 -13.738 -6.509 5.879 1.00 1.17 H new ATOM 768 N LEU A 72 -9.453 -4.376 3.757 1.00 0.62 N ATOM 769 CA LEU A 72 -8.012 -4.453 3.896 1.00 0.68 C ATOM 770 C LEU A 72 -7.502 -3.157 4.512 1.00 0.67 C ATOM 771 O LEU A 72 -6.535 -3.145 5.267 1.00 0.74 O ATOM 772 CB LEU A 72 -7.348 -4.720 2.536 1.00 0.74 C ATOM 773 CG LEU A 72 -5.848 -5.032 2.566 1.00 0.92 C ATOM 774 CD1 LEU A 72 -5.472 -5.884 1.368 1.00 1.07 C ATOM 775 CD2 LEU A 72 -5.025 -3.751 2.559 1.00 1.01 C ATOM 0 H LEU A 72 -9.795 -4.451 2.799 1.00 0.62 H new ATOM 0 HA LEU A 72 -7.754 -5.284 4.552 1.00 0.68 H new ATOM 0 HB2 LEU A 72 -7.862 -5.556 2.062 1.00 0.74 H new ATOM 0 HB3 LEU A 72 -7.504 -3.848 1.901 1.00 0.74 H new ATOM 0 HG LEU A 72 -5.633 -5.578 3.485 1.00 0.92 H new ATOM 0 HD11 LEU A 72 -4.404 -6.101 1.397 1.00 1.07 H new ATOM 0 HD12 LEU A 72 -6.033 -6.818 1.395 1.00 1.07 H new ATOM 0 HD13 LEU A 72 -5.708 -5.346 0.450 1.00 1.07 H new ATOM 0 HD21 LEU A 72 -3.964 -4.000 2.581 1.00 1.01 H new ATOM 0 HD22 LEU A 72 -5.246 -3.182 1.656 1.00 1.01 H new ATOM 0 HD23 LEU A 72 -5.275 -3.153 3.435 1.00 1.01 H new ATOM 787 N MET A 73 -8.194 -2.071 4.214 1.00 0.70 N ATOM 788 CA MET A 73 -7.844 -0.781 4.770 1.00 0.82 C ATOM 789 C MET A 73 -8.379 -0.666 6.177 1.00 0.85 C ATOM 790 O MET A 73 -7.698 -0.188 7.057 1.00 1.02 O ATOM 791 CB MET A 73 -8.389 0.355 3.914 1.00 0.96 C ATOM 792 CG MET A 73 -7.377 0.910 2.930 1.00 0.98 C ATOM 793 SD MET A 73 -6.047 1.815 3.734 1.00 1.29 S ATOM 794 CE MET A 73 -6.983 3.057 4.619 1.00 0.76 C ATOM 0 H MET A 73 -9.001 -2.060 3.590 1.00 0.70 H new ATOM 0 HA MET A 73 -6.757 -0.702 4.786 1.00 0.82 H new ATOM 0 HB2 MET A 73 -9.261 -0.000 3.365 1.00 0.96 H new ATOM 0 HB3 MET A 73 -8.729 1.160 4.566 1.00 0.96 H new ATOM 0 HG2 MET A 73 -6.954 0.090 2.350 1.00 0.98 H new ATOM 0 HG3 MET A 73 -7.885 1.569 2.226 1.00 0.98 H new ATOM 0 HE1 MET A 73 -6.360 3.937 4.778 1.00 0.76 H new ATOM 0 HE2 MET A 73 -7.862 3.334 4.036 1.00 0.76 H new ATOM 0 HE3 MET A 73 -7.298 2.657 5.583 1.00 0.76 H new ATOM 804 N ASN A 74 -9.597 -1.128 6.382 1.00 0.82 N ATOM 805 CA ASN A 74 -10.206 -1.103 7.704 1.00 0.94 C ATOM 806 C ASN A 74 -9.374 -1.927 8.698 1.00 0.92 C ATOM 807 O ASN A 74 -9.177 -1.524 9.846 1.00 1.00 O ATOM 808 CB ASN A 74 -11.648 -1.612 7.616 1.00 1.05 C ATOM 809 CG ASN A 74 -12.270 -1.853 8.971 1.00 1.26 C ATOM 810 OD1 ASN A 74 -12.790 -0.938 9.609 1.00 1.62 O ATOM 811 ND2 ASN A 74 -12.246 -3.095 9.395 1.00 1.88 N ATOM 0 H ASN A 74 -10.187 -1.526 5.652 1.00 0.82 H new ATOM 0 HA ASN A 74 -10.228 -0.077 8.073 1.00 0.94 H new ATOM 0 HB2 ASN A 74 -12.251 -0.887 7.069 1.00 1.05 H new ATOM 0 HB3 ASN A 74 -11.666 -2.539 7.043 1.00 1.05 H new ATOM 0 HD21 ASN A 74 -12.671 -3.337 10.290 1.00 1.88 H new ATOM 0 HD22 ASN A 74 -11.802 -3.819 8.829 1.00 1.88 H new ATOM 818 N GLU A 75 -8.896 -3.084 8.248 1.00 0.88 N ATOM 819 CA GLU A 75 -7.924 -3.883 9.002 1.00 0.95 C ATOM 820 C GLU A 75 -6.655 -3.093 9.350 1.00 0.85 C ATOM 821 O GLU A 75 -6.184 -3.132 10.487 1.00 0.90 O ATOM 822 CB GLU A 75 -7.526 -5.119 8.189 1.00 1.07 C ATOM 823 CG GLU A 75 -8.418 -6.326 8.408 1.00 1.66 C ATOM 824 CD GLU A 75 -8.238 -6.931 9.783 1.00 2.20 C ATOM 825 OE1 GLU A 75 -7.225 -7.627 10.003 1.00 2.73 O ATOM 826 OE2 GLU A 75 -9.114 -6.729 10.646 1.00 2.59 O ATOM 0 H GLU A 75 -9.168 -3.496 7.355 1.00 0.88 H new ATOM 0 HA GLU A 75 -8.408 -4.171 9.935 1.00 0.95 H new ATOM 0 HB2 GLU A 75 -7.537 -4.861 7.130 1.00 1.07 H new ATOM 0 HB3 GLU A 75 -6.501 -5.390 8.440 1.00 1.07 H new ATOM 0 HG2 GLU A 75 -9.460 -6.034 8.276 1.00 1.66 H new ATOM 0 HG3 GLU A 75 -8.199 -7.079 7.651 1.00 1.66 H new ATOM 833 N TYR A 76 -6.108 -2.383 8.370 1.00 0.80 N ATOM 834 CA TYR A 76 -4.774 -1.789 8.502 1.00 0.80 C ATOM 835 C TYR A 76 -4.805 -0.330 8.968 1.00 0.84 C ATOM 836 O TYR A 76 -3.793 0.192 9.435 1.00 1.09 O ATOM 837 CB TYR A 76 -4.025 -1.869 7.165 1.00 0.81 C ATOM 838 CG TYR A 76 -3.534 -3.254 6.786 1.00 0.80 C ATOM 839 CD1 TYR A 76 -4.363 -4.358 6.929 1.00 1.22 C ATOM 840 CD2 TYR A 76 -2.251 -3.463 6.298 1.00 1.28 C ATOM 841 CE1 TYR A 76 -3.929 -5.626 6.601 1.00 1.44 C ATOM 842 CE2 TYR A 76 -1.808 -4.729 5.966 1.00 1.65 C ATOM 843 CZ TYR A 76 -2.615 -5.781 6.063 1.00 1.51 C ATOM 844 OH TYR A 76 -2.220 -7.077 5.797 1.00 1.98 O ATOM 0 H TYR A 76 -6.563 -2.202 7.475 1.00 0.80 H new ATOM 0 HA TYR A 76 -4.258 -2.367 9.269 1.00 0.80 H new ATOM 0 HB2 TYR A 76 -4.682 -1.504 6.375 1.00 0.81 H new ATOM 0 HB3 TYR A 76 -3.169 -1.195 7.204 1.00 0.81 H new ATOM 0 HD1 TYR A 76 -5.367 -4.222 7.304 1.00 1.22 H new ATOM 0 HD2 TYR A 76 -1.587 -2.620 6.176 1.00 1.28 H new ATOM 0 HE1 TYR A 76 -4.569 -6.483 6.748 1.00 1.44 H new ATOM 0 HE2 TYR A 76 -0.793 -4.866 5.623 1.00 1.65 H new ATOM 0 HH TYR A 76 -1.244 -7.112 5.722 1.00 1.98 H new ATOM 854 N ASP A 77 -5.947 0.329 8.837 1.00 0.72 N ATOM 855 CA ASP A 77 -6.032 1.760 9.116 1.00 0.83 C ATOM 856 C ASP A 77 -6.027 2.033 10.625 1.00 1.13 C ATOM 857 O ASP A 77 -5.959 1.107 11.434 1.00 1.71 O ATOM 858 CB ASP A 77 -7.268 2.374 8.443 1.00 0.91 C ATOM 859 CG ASP A 77 -8.440 2.600 9.380 1.00 1.10 C ATOM 860 OD1 ASP A 77 -9.262 1.668 9.532 1.00 1.63 O ATOM 861 OD2 ASP A 77 -8.531 3.680 9.995 1.00 1.44 O ATOM 0 H ASP A 77 -6.824 -0.099 8.541 1.00 0.72 H new ATOM 0 HA ASP A 77 -5.148 2.238 8.694 1.00 0.83 H new ATOM 0 HB2 ASP A 77 -6.987 3.327 7.994 1.00 0.91 H new ATOM 0 HB3 ASP A 77 -7.587 1.721 7.631 1.00 0.91 H new ATOM 926 N GLY A 82 -9.840 6.739 6.692 1.00 1.33 N ATOM 927 CA GLY A 82 -8.996 7.892 6.458 1.00 1.30 C ATOM 928 C GLY A 82 -7.941 7.602 5.413 1.00 1.00 C ATOM 929 O GLY A 82 -8.239 7.533 4.221 1.00 1.04 O ATOM 0 HA2 GLY A 82 -9.609 8.733 6.135 1.00 1.30 H new ATOM 0 HA3 GLY A 82 -8.515 8.188 7.390 1.00 1.30 H new ATOM 933 N TYR A 83 -6.715 7.404 5.874 1.00 0.83 N ATOM 934 CA TYR A 83 -5.606 7.025 5.014 1.00 0.60 C ATOM 935 C TYR A 83 -4.616 6.198 5.815 1.00 0.51 C ATOM 936 O TYR A 83 -4.705 6.116 7.038 1.00 0.62 O ATOM 937 CB TYR A 83 -4.837 8.220 4.443 1.00 0.66 C ATOM 938 CG TYR A 83 -5.658 9.299 3.769 1.00 0.95 C ATOM 939 CD1 TYR A 83 -6.102 9.153 2.458 1.00 1.52 C ATOM 940 CD2 TYR A 83 -6.026 10.446 4.460 1.00 1.22 C ATOM 941 CE1 TYR A 83 -6.879 10.126 1.855 1.00 2.23 C ATOM 942 CE2 TYR A 83 -6.808 11.418 3.867 1.00 1.81 C ATOM 943 CZ TYR A 83 -7.102 11.307 2.493 1.00 2.34 C ATOM 944 OH TYR A 83 -8.022 12.218 1.981 1.00 3.05 O ATOM 0 H TYR A 83 -6.462 7.502 6.857 1.00 0.83 H new ATOM 0 HA TYR A 83 -6.042 6.472 4.182 1.00 0.60 H new ATOM 0 HB2 TYR A 83 -4.272 8.679 5.254 1.00 0.66 H new ATOM 0 HB3 TYR A 83 -4.111 7.844 3.722 1.00 0.66 H new ATOM 0 HD1 TYR A 83 -5.836 8.266 1.903 1.00 1.52 H new ATOM 0 HD2 TYR A 83 -5.695 10.580 5.479 1.00 1.22 H new ATOM 0 HE1 TYR A 83 -7.308 9.949 0.880 1.00 2.23 H new ATOM 0 HE2 TYR A 83 -7.187 12.248 4.445 1.00 1.81 H new ATOM 0 HH TYR A 83 -8.058 13.007 2.561 1.00 3.05 H new ATOM 954 N ILE A 84 -3.680 5.591 5.122 1.00 0.42 N ATOM 955 CA ILE A 84 -2.573 4.911 5.774 1.00 0.41 C ATOM 956 C ILE A 84 -1.317 5.763 5.686 1.00 0.38 C ATOM 957 O ILE A 84 -1.212 6.643 4.828 1.00 0.42 O ATOM 958 CB ILE A 84 -2.286 3.542 5.139 1.00 0.51 C ATOM 959 CG1 ILE A 84 -2.189 3.681 3.618 1.00 0.62 C ATOM 960 CG2 ILE A 84 -3.348 2.532 5.542 1.00 0.64 C ATOM 961 CD1 ILE A 84 -2.042 2.371 2.897 1.00 0.72 C ATOM 0 H ILE A 84 -3.659 5.552 4.103 1.00 0.42 H new ATOM 0 HA ILE A 84 -2.858 4.756 6.815 1.00 0.41 H new ATOM 0 HB ILE A 84 -1.329 3.172 5.506 1.00 0.51 H new ATOM 0 HG12 ILE A 84 -3.081 4.189 3.251 1.00 0.62 H new ATOM 0 HG13 ILE A 84 -1.338 4.317 3.374 1.00 0.62 H new ATOM 0 HG21 ILE A 84 -3.127 1.569 5.082 1.00 0.64 H new ATOM 0 HG22 ILE A 84 -3.354 2.424 6.627 1.00 0.64 H new ATOM 0 HG23 ILE A 84 -4.326 2.878 5.207 1.00 0.64 H new ATOM 0 HD11 ILE A 84 -1.980 2.551 1.824 1.00 0.72 H new ATOM 0 HD12 ILE A 84 -1.135 1.870 3.234 1.00 0.72 H new ATOM 0 HD13 ILE A 84 -2.905 1.740 3.109 1.00 0.72 H new ATOM 973 N GLY A 85 -0.366 5.496 6.561 1.00 0.40 N ATOM 974 CA GLY A 85 0.861 6.256 6.568 1.00 0.42 C ATOM 975 C GLY A 85 2.000 5.481 5.953 1.00 0.37 C ATOM 976 O GLY A 85 1.902 4.264 5.774 1.00 0.37 O ATOM 0 H GLY A 85 -0.422 4.764 7.269 1.00 0.40 H new ATOM 0 HA2 GLY A 85 0.716 7.187 6.020 1.00 0.42 H new ATOM 0 HA3 GLY A 85 1.116 6.526 7.593 1.00 0.42 H new ATOM 980 N PHE A 86 3.079 6.176 5.633 1.00 0.38 N ATOM 981 CA PHE A 86 4.231 5.559 5.007 1.00 0.35 C ATOM 982 C PHE A 86 4.803 4.452 5.888 1.00 0.40 C ATOM 983 O PHE A 86 5.277 3.427 5.392 1.00 0.43 O ATOM 984 CB PHE A 86 5.298 6.618 4.725 1.00 0.39 C ATOM 985 CG PHE A 86 6.631 6.025 4.401 1.00 0.43 C ATOM 986 CD1 PHE A 86 6.907 5.552 3.133 1.00 0.48 C ATOM 987 CD2 PHE A 86 7.599 5.906 5.385 1.00 0.61 C ATOM 988 CE1 PHE A 86 8.118 4.971 2.853 1.00 0.58 C ATOM 989 CE2 PHE A 86 8.815 5.332 5.108 1.00 0.71 C ATOM 990 CZ PHE A 86 9.076 4.860 3.840 1.00 0.65 C ATOM 0 H PHE A 86 3.179 7.177 5.800 1.00 0.38 H new ATOM 0 HA PHE A 86 3.914 5.111 4.065 1.00 0.35 H new ATOM 0 HB2 PHE A 86 4.972 7.243 3.894 1.00 0.39 H new ATOM 0 HB3 PHE A 86 5.396 7.269 5.594 1.00 0.39 H new ATOM 0 HD1 PHE A 86 6.163 5.640 2.355 1.00 0.48 H new ATOM 0 HD2 PHE A 86 7.395 6.269 6.381 1.00 0.61 H new ATOM 0 HE1 PHE A 86 8.322 4.600 1.859 1.00 0.58 H new ATOM 0 HE2 PHE A 86 9.564 5.251 5.881 1.00 0.71 H new ATOM 0 HZ PHE A 86 10.030 4.404 3.619 1.00 0.65 H new ATOM 1000 N ASP A 87 4.737 4.661 7.196 1.00 0.47 N ATOM 1001 CA ASP A 87 5.262 3.704 8.162 1.00 0.57 C ATOM 1002 C ASP A 87 4.609 2.335 7.994 1.00 0.56 C ATOM 1003 O ASP A 87 5.274 1.307 8.103 1.00 0.68 O ATOM 1004 CB ASP A 87 5.059 4.213 9.593 1.00 0.71 C ATOM 1005 CG ASP A 87 3.596 4.382 9.964 1.00 1.38 C ATOM 1006 OD1 ASP A 87 3.020 5.445 9.665 1.00 1.82 O ATOM 1007 OD2 ASP A 87 3.017 3.441 10.552 1.00 2.13 O ATOM 0 H ASP A 87 4.321 5.492 7.616 1.00 0.47 H new ATOM 0 HA ASP A 87 6.331 3.598 7.975 1.00 0.57 H new ATOM 0 HB2 ASP A 87 5.526 3.517 10.289 1.00 0.71 H new ATOM 0 HB3 ASP A 87 5.569 5.169 9.708 1.00 0.71 H new ATOM 1012 N ASP A 88 3.315 2.324 7.694 1.00 0.52 N ATOM 1013 CA ASP A 88 2.589 1.071 7.532 1.00 0.58 C ATOM 1014 C ASP A 88 2.752 0.558 6.109 1.00 0.59 C ATOM 1015 O ASP A 88 2.725 -0.644 5.855 1.00 0.80 O ATOM 1016 CB ASP A 88 1.104 1.258 7.855 1.00 0.64 C ATOM 1017 CG ASP A 88 0.424 -0.052 8.209 1.00 1.27 C ATOM 1018 OD1 ASP A 88 0.018 -0.790 7.292 1.00 2.13 O ATOM 1019 OD2 ASP A 88 0.308 -0.356 9.417 1.00 1.21 O ATOM 0 H ASP A 88 2.751 3.163 7.559 1.00 0.52 H new ATOM 0 HA ASP A 88 3.002 0.340 8.227 1.00 0.58 H new ATOM 0 HB2 ASP A 88 1.000 1.955 8.686 1.00 0.64 H new ATOM 0 HB3 ASP A 88 0.601 1.706 6.998 1.00 0.64 H new ATOM 1024 N PHE A 89 2.975 1.495 5.187 1.00 0.45 N ATOM 1025 CA PHE A 89 3.127 1.193 3.774 1.00 0.45 C ATOM 1026 C PHE A 89 4.368 0.348 3.544 1.00 0.45 C ATOM 1027 O PHE A 89 4.396 -0.547 2.695 1.00 0.46 O ATOM 1028 CB PHE A 89 3.252 2.502 3.001 1.00 0.44 C ATOM 1029 CG PHE A 89 3.528 2.315 1.548 1.00 0.46 C ATOM 1030 CD1 PHE A 89 2.537 1.889 0.685 1.00 0.55 C ATOM 1031 CD2 PHE A 89 4.793 2.557 1.053 1.00 0.46 C ATOM 1032 CE1 PHE A 89 2.805 1.710 -0.655 1.00 0.60 C ATOM 1033 CE2 PHE A 89 5.070 2.380 -0.279 1.00 0.50 C ATOM 1034 CZ PHE A 89 4.075 1.954 -1.142 1.00 0.56 C ATOM 0 H PHE A 89 3.055 2.488 5.406 1.00 0.45 H new ATOM 0 HA PHE A 89 2.257 0.635 3.430 1.00 0.45 H new ATOM 0 HB2 PHE A 89 2.330 3.071 3.116 1.00 0.44 H new ATOM 0 HB3 PHE A 89 4.052 3.098 3.440 1.00 0.44 H new ATOM 0 HD1 PHE A 89 1.544 1.695 1.063 1.00 0.55 H new ATOM 0 HD2 PHE A 89 5.574 2.889 1.721 1.00 0.46 H new ATOM 0 HE1 PHE A 89 2.024 1.380 -1.323 1.00 0.60 H new ATOM 0 HE2 PHE A 89 6.064 2.573 -0.654 1.00 0.50 H new ATOM 0 HZ PHE A 89 4.290 1.813 -2.191 1.00 0.56 H new ATOM 1044 N LEU A 90 5.390 0.651 4.317 1.00 0.45 N ATOM 1045 CA LEU A 90 6.661 -0.027 4.229 1.00 0.44 C ATOM 1046 C LEU A 90 6.494 -1.513 4.457 1.00 0.43 C ATOM 1047 O LEU A 90 7.005 -2.331 3.697 1.00 0.46 O ATOM 1048 CB LEU A 90 7.597 0.554 5.269 1.00 0.46 C ATOM 1049 CG LEU A 90 8.968 0.929 4.732 1.00 0.60 C ATOM 1050 CD1 LEU A 90 9.656 1.910 5.660 1.00 1.41 C ATOM 1051 CD2 LEU A 90 9.822 -0.314 4.546 1.00 1.14 C ATOM 0 H LEU A 90 5.359 1.381 5.029 1.00 0.45 H new ATOM 0 HA LEU A 90 7.076 0.116 3.231 1.00 0.44 H new ATOM 0 HB2 LEU A 90 7.134 1.440 5.703 1.00 0.46 H new ATOM 0 HB3 LEU A 90 7.720 -0.169 6.075 1.00 0.46 H new ATOM 0 HG LEU A 90 8.837 1.409 3.762 1.00 0.60 H new ATOM 0 HD11 LEU A 90 10.636 2.166 5.257 1.00 1.41 H new ATOM 0 HD12 LEU A 90 9.052 2.813 5.747 1.00 1.41 H new ATOM 0 HD13 LEU A 90 9.775 1.457 6.644 1.00 1.41 H new ATOM 0 HD21 LEU A 90 10.801 -0.029 4.161 1.00 1.14 H new ATOM 0 HD22 LEU A 90 9.942 -0.819 5.504 1.00 1.14 H new ATOM 0 HD23 LEU A 90 9.336 -0.987 3.839 1.00 1.14 H new ATOM 1063 N ASP A 91 5.734 -1.847 5.488 1.00 0.45 N ATOM 1064 CA ASP A 91 5.523 -3.233 5.871 1.00 0.50 C ATOM 1065 C ASP A 91 4.678 -3.985 4.858 1.00 0.52 C ATOM 1066 O ASP A 91 4.431 -5.164 5.026 1.00 0.59 O ATOM 1067 CB ASP A 91 4.884 -3.324 7.249 1.00 0.56 C ATOM 1068 CG ASP A 91 5.917 -3.342 8.354 1.00 1.14 C ATOM 1069 OD1 ASP A 91 6.376 -4.447 8.711 1.00 1.85 O ATOM 1070 OD2 ASP A 91 6.292 -2.259 8.853 1.00 1.84 O ATOM 0 H ASP A 91 5.250 -1.171 6.078 1.00 0.45 H new ATOM 0 HA ASP A 91 6.505 -3.704 5.901 1.00 0.50 H new ATOM 0 HB2 ASP A 91 4.213 -2.477 7.394 1.00 0.56 H new ATOM 0 HB3 ASP A 91 4.275 -4.226 7.307 1.00 0.56 H new ATOM 1075 N ILE A 92 4.217 -3.283 3.836 1.00 0.51 N ATOM 1076 CA ILE A 92 3.426 -3.867 2.751 1.00 0.55 C ATOM 1077 C ILE A 92 4.304 -4.197 1.574 1.00 0.53 C ATOM 1078 O ILE A 92 4.216 -5.280 0.989 1.00 0.60 O ATOM 1079 CB ILE A 92 2.372 -2.866 2.302 1.00 0.58 C ATOM 1080 CG1 ILE A 92 1.651 -2.364 3.537 1.00 0.65 C ATOM 1081 CG2 ILE A 92 1.416 -3.492 1.293 1.00 0.62 C ATOM 1082 CD1 ILE A 92 0.597 -3.309 4.045 1.00 1.30 C ATOM 0 H ILE A 92 4.380 -2.282 3.730 1.00 0.51 H new ATOM 0 HA ILE A 92 2.956 -4.780 3.117 1.00 0.55 H new ATOM 0 HB ILE A 92 2.840 -2.025 1.791 1.00 0.58 H new ATOM 0 HG12 ILE A 92 2.381 -2.188 4.327 1.00 0.65 H new ATOM 0 HG13 ILE A 92 1.188 -1.403 3.312 1.00 0.65 H new ATOM 0 HG21 ILE A 92 0.673 -2.754 0.989 1.00 0.62 H new ATOM 0 HG22 ILE A 92 1.976 -3.824 0.419 1.00 0.62 H new ATOM 0 HG23 ILE A 92 0.914 -4.346 1.748 1.00 0.62 H new ATOM 0 HD11 ILE A 92 0.123 -2.884 4.930 1.00 1.30 H new ATOM 0 HD12 ILE A 92 -0.154 -3.466 3.271 1.00 1.30 H new ATOM 0 HD13 ILE A 92 1.057 -4.263 4.303 1.00 1.30 H new ATOM 1094 N MET A 93 5.153 -3.252 1.225 1.00 0.47 N ATOM 1095 CA MET A 93 6.152 -3.490 0.213 1.00 0.48 C ATOM 1096 C MET A 93 7.086 -4.585 0.693 1.00 0.49 C ATOM 1097 O MET A 93 7.723 -5.271 -0.100 1.00 0.55 O ATOM 1098 CB MET A 93 6.913 -2.211 -0.102 1.00 0.50 C ATOM 1099 CG MET A 93 6.060 -1.175 -0.810 1.00 0.61 C ATOM 1100 SD MET A 93 7.045 0.017 -1.733 1.00 0.57 S ATOM 1101 CE MET A 93 7.845 -1.051 -2.931 1.00 0.63 C ATOM 0 H MET A 93 5.168 -2.315 1.628 1.00 0.47 H new ATOM 0 HA MET A 93 5.671 -3.813 -0.710 1.00 0.48 H new ATOM 0 HB2 MET A 93 7.298 -1.786 0.825 1.00 0.50 H new ATOM 0 HB3 MET A 93 7.775 -2.451 -0.724 1.00 0.50 H new ATOM 0 HG2 MET A 93 5.373 -1.678 -1.491 1.00 0.61 H new ATOM 0 HG3 MET A 93 5.451 -0.647 -0.076 1.00 0.61 H new ATOM 0 HE1 MET A 93 8.082 -0.478 -3.828 1.00 0.63 H new ATOM 0 HE2 MET A 93 8.764 -1.453 -2.504 1.00 0.63 H new ATOM 0 HE3 MET A 93 7.176 -1.871 -3.191 1.00 0.63 H new ATOM 1111 N THR A 94 7.136 -4.755 2.006 1.00 0.48 N ATOM 1112 CA THR A 94 7.855 -5.865 2.594 1.00 0.54 C ATOM 1113 C THR A 94 6.909 -7.029 2.896 1.00 0.61 C ATOM 1114 O THR A 94 7.336 -8.183 2.918 1.00 0.74 O ATOM 1115 CB THR A 94 8.583 -5.448 3.883 1.00 0.59 C ATOM 1116 OG1 THR A 94 7.637 -5.021 4.866 1.00 0.64 O ATOM 1117 CG2 THR A 94 9.565 -4.323 3.601 1.00 0.60 C ATOM 0 H THR A 94 6.686 -4.136 2.681 1.00 0.48 H new ATOM 0 HA THR A 94 8.599 -6.186 1.865 1.00 0.54 H new ATOM 0 HB THR A 94 9.132 -6.311 4.260 1.00 0.59 H new ATOM 0 HG1 THR A 94 8.078 -4.958 5.739 1.00 0.64 H new ATOM 0 HG21 THR A 94 10.071 -4.041 4.525 1.00 0.60 H new ATOM 0 HG22 THR A 94 10.302 -4.658 2.871 1.00 0.60 H new ATOM 0 HG23 THR A 94 9.027 -3.462 3.204 1.00 0.60 H new ATOM 1125 N GLU A 95 5.619 -6.726 3.099 1.00 0.58 N ATOM 1126 CA GLU A 95 4.640 -7.728 3.533 1.00 0.68 C ATOM 1127 C GLU A 95 4.708 -8.970 2.670 1.00 0.71 C ATOM 1128 O GLU A 95 4.944 -10.079 3.153 1.00 0.79 O ATOM 1129 CB GLU A 95 3.204 -7.196 3.503 1.00 0.72 C ATOM 1130 CG GLU A 95 2.202 -8.185 4.084 1.00 0.92 C ATOM 1131 CD GLU A 95 0.839 -7.581 4.352 1.00 1.32 C ATOM 1132 OE1 GLU A 95 0.060 -7.404 3.386 1.00 2.09 O ATOM 1133 OE2 GLU A 95 0.547 -7.263 5.519 1.00 1.67 O ATOM 0 H GLU A 95 5.230 -5.792 2.969 1.00 0.58 H new ATOM 0 HA GLU A 95 4.902 -7.972 4.563 1.00 0.68 H new ATOM 0 HB2 GLU A 95 3.154 -6.262 4.063 1.00 0.72 H new ATOM 0 HB3 GLU A 95 2.927 -6.966 2.474 1.00 0.72 H new ATOM 0 HG2 GLU A 95 2.090 -9.023 3.395 1.00 0.92 H new ATOM 0 HG3 GLU A 95 2.601 -8.589 5.015 1.00 0.92 H new ATOM 1140 N LYS A 96 4.549 -8.766 1.381 1.00 0.68 N ATOM 1141 CA LYS A 96 4.367 -9.869 0.469 1.00 0.75 C ATOM 1142 C LYS A 96 5.691 -10.508 0.023 1.00 0.77 C ATOM 1143 O LYS A 96 5.672 -11.485 -0.717 1.00 0.90 O ATOM 1144 CB LYS A 96 3.540 -9.421 -0.744 1.00 0.78 C ATOM 1145 CG LYS A 96 3.964 -8.076 -1.322 1.00 0.75 C ATOM 1146 CD LYS A 96 5.348 -8.143 -1.936 1.00 0.89 C ATOM 1147 CE LYS A 96 5.950 -6.765 -2.111 1.00 0.80 C ATOM 1148 NZ LYS A 96 5.209 -5.957 -3.119 1.00 1.16 N ATOM 0 H LYS A 96 4.542 -7.845 0.942 1.00 0.68 H new ATOM 0 HA LYS A 96 3.824 -10.643 1.011 1.00 0.75 H new ATOM 0 HB2 LYS A 96 3.616 -10.180 -1.523 1.00 0.78 H new ATOM 0 HB3 LYS A 96 2.491 -9.366 -0.455 1.00 0.78 H new ATOM 0 HG2 LYS A 96 3.245 -7.762 -2.078 1.00 0.75 H new ATOM 0 HG3 LYS A 96 3.950 -7.321 -0.536 1.00 0.75 H new ATOM 0 HD2 LYS A 96 5.998 -8.746 -1.303 1.00 0.89 H new ATOM 0 HD3 LYS A 96 5.293 -8.642 -2.904 1.00 0.89 H new ATOM 0 HE2 LYS A 96 5.946 -6.243 -1.154 1.00 0.80 H new ATOM 0 HE3 LYS A 96 6.992 -6.861 -2.418 1.00 0.80 H new ATOM 0 HZ1 LYS A 96 5.653 -5.021 -3.208 1.00 1.16 H new ATOM 0 HZ2 LYS A 96 5.234 -6.442 -4.039 1.00 1.16 H new ATOM 0 HZ3 LYS A 96 4.221 -5.843 -2.815 1.00 1.16 H new ATOM 1162 N ILE A 97 6.832 -9.943 0.424 1.00 0.72 N ATOM 1163 CA ILE A 97 8.122 -10.511 0.010 1.00 0.78 C ATOM 1164 C ILE A 97 8.748 -11.423 1.074 1.00 0.86 C ATOM 1165 O ILE A 97 9.191 -12.522 0.759 1.00 0.97 O ATOM 1166 CB ILE A 97 9.145 -9.445 -0.467 1.00 0.78 C ATOM 1167 CG1 ILE A 97 9.199 -8.227 0.451 1.00 0.73 C ATOM 1168 CG2 ILE A 97 8.846 -9.020 -1.894 1.00 0.90 C ATOM 1169 CD1 ILE A 97 10.088 -8.426 1.656 1.00 0.79 C ATOM 0 H ILE A 97 6.894 -9.116 1.018 1.00 0.72 H new ATOM 0 HA ILE A 97 7.878 -11.130 -0.853 1.00 0.78 H new ATOM 0 HB ILE A 97 10.128 -9.914 -0.430 1.00 0.78 H new ATOM 0 HG12 ILE A 97 9.556 -7.368 -0.117 1.00 0.73 H new ATOM 0 HG13 ILE A 97 8.190 -7.990 0.788 1.00 0.73 H new ATOM 0 HG21 ILE A 97 9.573 -8.273 -2.211 1.00 0.90 H new ATOM 0 HG22 ILE A 97 8.906 -9.887 -2.552 1.00 0.90 H new ATOM 0 HG23 ILE A 97 7.844 -8.595 -1.945 1.00 0.90 H new ATOM 0 HD11 ILE A 97 10.081 -7.523 2.266 1.00 0.79 H new ATOM 0 HD12 ILE A 97 9.719 -9.265 2.246 1.00 0.79 H new ATOM 0 HD13 ILE A 97 11.106 -8.634 1.327 1.00 0.79 H new ATOM 1181 N LYS A 98 8.783 -10.982 2.329 1.00 0.93 N ATOM 1182 CA LYS A 98 9.383 -11.790 3.392 1.00 1.13 C ATOM 1183 C LYS A 98 8.389 -12.821 3.899 1.00 1.19 C ATOM 1184 O LYS A 98 8.748 -13.774 4.589 1.00 1.39 O ATOM 1185 CB LYS A 98 9.915 -10.908 4.539 1.00 1.33 C ATOM 1186 CG LYS A 98 8.995 -9.769 4.959 1.00 1.54 C ATOM 1187 CD LYS A 98 7.720 -10.263 5.615 1.00 1.29 C ATOM 1188 CE LYS A 98 6.687 -9.157 5.705 1.00 1.14 C ATOM 1189 NZ LYS A 98 7.015 -8.153 6.754 1.00 1.56 N ATOM 0 H LYS A 98 8.409 -10.083 2.634 1.00 0.93 H new ATOM 0 HA LYS A 98 10.239 -12.320 2.974 1.00 1.13 H new ATOM 0 HB2 LYS A 98 10.103 -11.541 5.406 1.00 1.33 H new ATOM 0 HB3 LYS A 98 10.874 -10.487 4.238 1.00 1.33 H new ATOM 0 HG2 LYS A 98 9.525 -9.114 5.651 1.00 1.54 H new ATOM 0 HG3 LYS A 98 8.741 -9.170 4.084 1.00 1.54 H new ATOM 0 HD2 LYS A 98 7.314 -11.098 5.044 1.00 1.29 H new ATOM 0 HD3 LYS A 98 7.943 -10.638 6.614 1.00 1.29 H new ATOM 0 HE2 LYS A 98 6.610 -8.657 4.740 1.00 1.14 H new ATOM 0 HE3 LYS A 98 5.711 -9.593 5.917 1.00 1.14 H new ATOM 0 HZ1 LYS A 98 6.278 -7.419 6.775 1.00 1.56 H new ATOM 0 HZ2 LYS A 98 7.062 -8.622 7.681 1.00 1.56 H new ATOM 0 HZ3 LYS A 98 7.934 -7.715 6.540 1.00 1.56 H new ATOM 1203 N ASN A 99 7.134 -12.613 3.545 1.00 1.11 N ATOM 1204 CA ASN A 99 6.090 -13.580 3.813 1.00 1.24 C ATOM 1205 C ASN A 99 5.513 -14.012 2.477 1.00 1.27 C ATOM 1206 O ASN A 99 4.328 -14.313 2.348 1.00 1.57 O ATOM 1207 CB ASN A 99 5.010 -12.972 4.714 1.00 1.30 C ATOM 1208 CG ASN A 99 4.142 -14.023 5.388 1.00 1.53 C ATOM 1209 OD1 ASN A 99 4.481 -14.526 6.461 1.00 1.97 O ATOM 1210 ND2 ASN A 99 3.020 -14.359 4.775 1.00 1.86 N ATOM 0 H ASN A 99 6.812 -11.772 3.066 1.00 1.11 H new ATOM 0 HA ASN A 99 6.493 -14.444 4.341 1.00 1.24 H new ATOM 0 HB2 ASN A 99 5.485 -12.356 5.478 1.00 1.30 H new ATOM 0 HB3 ASN A 99 4.378 -12.312 4.120 1.00 1.30 H new ATOM 0 HD21 ASN A 99 2.402 -15.056 5.189 1.00 1.86 H new ATOM 0 HD22 ASN A 99 2.773 -13.921 3.888 1.00 1.86 H new ATOM 1217 N ARG A 100 6.386 -14.027 1.471 1.00 1.20 N ATOM 1218 CA ARG A 100 5.986 -14.393 0.125 1.00 1.28 C ATOM 1219 C ARG A 100 5.615 -15.873 0.088 1.00 1.61 C ATOM 1220 O ARG A 100 4.796 -16.308 -0.724 1.00 1.75 O ATOM 1221 CB ARG A 100 7.101 -14.095 -0.889 1.00 1.26 C ATOM 1222 CG ARG A 100 8.270 -15.069 -0.866 1.00 1.58 C ATOM 1223 CD ARG A 100 9.338 -14.646 -1.858 1.00 1.70 C ATOM 1224 NE ARG A 100 10.297 -15.712 -2.133 1.00 2.35 N ATOM 1225 CZ ARG A 100 11.113 -15.721 -3.185 1.00 2.88 C ATOM 1226 NH1 ARG A 100 11.183 -14.664 -3.986 1.00 2.86 N ATOM 1227 NH2 ARG A 100 11.880 -16.773 -3.422 1.00 3.81 N ATOM 0 H ARG A 100 7.373 -13.789 1.568 1.00 1.20 H new ATOM 0 HA ARG A 100 5.119 -13.794 -0.153 1.00 1.28 H new ATOM 0 HB2 ARG A 100 6.670 -14.093 -1.890 1.00 1.26 H new ATOM 0 HB3 ARG A 100 7.481 -13.090 -0.703 1.00 1.26 H new ATOM 0 HG2 ARG A 100 8.694 -15.112 0.137 1.00 1.58 H new ATOM 0 HG3 ARG A 100 7.919 -16.072 -1.107 1.00 1.58 H new ATOM 0 HD2 ARG A 100 8.863 -14.339 -2.790 1.00 1.70 H new ATOM 0 HD3 ARG A 100 9.867 -13.776 -1.469 1.00 1.70 H new ATOM 0 HE ARG A 100 10.345 -16.495 -1.481 1.00 2.35 H new ATOM 0 HH11 ARG A 100 10.610 -13.841 -3.796 1.00 2.86 H new ATOM 0 HH12 ARG A 100 11.809 -14.675 -4.791 1.00 2.86 H new ATOM 0 HH21 ARG A 100 11.847 -17.579 -2.798 1.00 3.81 H new ATOM 0 HH22 ARG A 100 12.504 -16.778 -4.229 1.00 3.81 H new