USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 580 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 28 HIS : no HD1:sc= 0.327 K(o=1.1,f=-12!) USER MOD Set 1.2: A 30 SER OG : rot 101:sc= 0.801 USER MOD Single : A 1 MET CE :methyl -155:sc= -0.158 (180deg=-1.13) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0366 (180deg=-0.506) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -140:sc= -0.245! (180deg=-2.46!) USER MOD Single : A 7 SER OG : rot 180:sc=-0.00459 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.00861) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.853 USER MOD Single : A 18 GLN : amide:sc= -0.639 X(o=-0.64,f=-0.25) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 173:sc= -0.772 USER MOD Single : A 35 LYS NZ :NH3+ -132:sc= -0.379 (180deg=-0.97) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -90:sc= -2.11! USER MOD Single : A 46 MET CE :methyl -155:sc= -0.134 (180deg=-0.922) USER MOD Single : A 48 HIS : no HD1:sc= -3.44! C(o=-3.4!,f=-4.6!) USER MOD Single : A 52 THR OG1 : rot -60:sc= -1.98 USER MOD Single : A 54 THR OG1 : rot 70:sc= -2.36! USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.0061) USER MOD Single : A 71 HIS : no HD1:sc= -2.46! K(o=-2.5!,f=-1.2) USER MOD Single : A 72 HIS : no HD1:sc= -3.91! C(o=-3.9!,f=-1.6!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 74 HIS : no HD1:sc= -1.35! K(o=-1.4!,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.450 -1.628 0.358 1.00 0.00 N ATOM 2 CA MET A 1 12.554 -0.619 1.452 1.00 0.00 C ATOM 3 C MET A 1 11.506 0.473 1.237 1.00 0.00 C ATOM 4 O MET A 1 10.482 0.500 1.889 1.00 0.00 O ATOM 5 CB MET A 1 13.946 0.017 1.428 1.00 0.00 C ATOM 6 CG MET A 1 15.016 -1.048 1.691 1.00 0.00 C ATOM 7 SD MET A 1 14.809 -1.737 3.354 1.00 0.00 S ATOM 8 CE MET A 1 15.236 -0.247 4.293 1.00 0.00 C ATOM 0 H1 MET A 1 12.913 -2.511 0.655 1.00 0.00 H new ATOM 0 H2 MET A 1 11.448 -1.815 0.152 1.00 0.00 H new ATOM 0 H3 MET A 1 12.917 -1.263 -0.497 1.00 0.00 H new ATOM 0 HA MET A 1 12.388 -1.108 2.412 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.122 0.489 0.462 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.009 0.801 2.182 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.941 -1.842 0.948 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.009 -0.610 1.591 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.601 -0.531 5.280 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.012 0.306 3.764 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.352 0.381 4.401 1.00 0.00 H new ATOM 20 N LYS A 2 11.760 1.380 0.327 1.00 0.00 N ATOM 21 CA LYS A 2 10.793 2.488 0.058 1.00 0.00 C ATOM 22 C LYS A 2 10.009 2.198 -1.220 1.00 0.00 C ATOM 23 O LYS A 2 10.368 1.338 -1.999 1.00 0.00 O ATOM 24 CB LYS A 2 11.557 3.801 -0.105 1.00 0.00 C ATOM 25 CG LYS A 2 12.134 4.217 1.248 1.00 0.00 C ATOM 26 CD LYS A 2 12.891 5.536 1.096 1.00 0.00 C ATOM 27 CE LYS A 2 13.447 5.959 2.455 1.00 0.00 C ATOM 28 NZ LYS A 2 14.193 7.240 2.314 1.00 0.00 N ATOM 0 H LYS A 2 12.604 1.400 -0.246 1.00 0.00 H new ATOM 0 HA LYS A 2 10.099 2.566 0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.358 3.682 -0.834 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.893 4.577 -0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.333 4.328 1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.803 3.443 1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.703 5.422 0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.226 6.307 0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.634 6.077 3.171 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.106 5.184 2.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.570 7.526 3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.979 7.112 1.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.552 7.978 1.959 1.00 0.00 H new ATOM 42 N GLY A 3 8.938 2.909 -1.438 1.00 0.00 N ATOM 43 CA GLY A 3 8.132 2.674 -2.663 1.00 0.00 C ATOM 44 C GLY A 3 7.182 3.849 -2.881 1.00 0.00 C ATOM 45 O GLY A 3 7.247 4.846 -2.191 1.00 0.00 O ATOM 0 H GLY A 3 8.588 3.641 -0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.788 2.558 -3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 3 7.566 1.748 -2.566 1.00 0.00 H new ATOM 49 N LYS A 4 6.299 3.741 -3.838 1.00 0.00 N ATOM 50 CA LYS A 4 5.339 4.851 -4.106 1.00 0.00 C ATOM 51 C LYS A 4 3.985 4.262 -4.493 1.00 0.00 C ATOM 52 O LYS A 4 3.891 3.423 -5.367 1.00 0.00 O ATOM 53 CB LYS A 4 5.879 5.713 -5.247 1.00 0.00 C ATOM 54 CG LYS A 4 5.029 6.976 -5.383 1.00 0.00 C ATOM 55 CD LYS A 4 5.657 7.895 -6.431 1.00 0.00 C ATOM 56 CE LYS A 4 4.837 9.180 -6.538 1.00 0.00 C ATOM 57 NZ LYS A 4 3.431 8.847 -6.902 1.00 0.00 N ATOM 0 H LYS A 4 6.201 2.929 -4.448 1.00 0.00 H new ATOM 0 HA LYS A 4 5.220 5.466 -3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.918 5.981 -5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.863 5.150 -6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.012 6.714 -5.674 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.964 7.490 -4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.685 8.129 -6.156 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.692 7.392 -7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.860 9.718 -5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.272 9.839 -7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.076 9.543 -7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.397 7.897 -7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.837 8.868 -6.049 1.00 0.00 H new ATOM 71 N VAL A 5 2.934 4.686 -3.847 1.00 0.00 N ATOM 72 CA VAL A 5 1.586 4.143 -4.168 1.00 0.00 C ATOM 73 C VAL A 5 1.088 4.730 -5.495 1.00 0.00 C ATOM 74 O VAL A 5 1.109 5.927 -5.704 1.00 0.00 O ATOM 75 CB VAL A 5 0.619 4.506 -3.030 1.00 0.00 C ATOM 76 CG1 VAL A 5 0.849 5.965 -2.599 1.00 0.00 C ATOM 77 CG2 VAL A 5 -0.834 4.319 -3.489 1.00 0.00 C ATOM 0 H VAL A 5 2.952 5.388 -3.108 1.00 0.00 H new ATOM 0 HA VAL A 5 1.639 3.059 -4.268 1.00 0.00 H new ATOM 0 HB VAL A 5 0.806 3.847 -2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.162 6.219 -1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.875 6.084 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.673 6.627 -3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.509 4.579 -2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.031 4.965 -4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.994 3.279 -3.775 1.00 0.00 H new ATOM 87 N VAL A 6 0.629 3.888 -6.386 1.00 0.00 N ATOM 88 CA VAL A 6 0.110 4.375 -7.700 1.00 0.00 C ATOM 89 C VAL A 6 -1.419 4.367 -7.671 1.00 0.00 C ATOM 90 O VAL A 6 -2.058 5.234 -8.230 1.00 0.00 O ATOM 91 CB VAL A 6 0.613 3.457 -8.816 1.00 0.00 C ATOM 92 CG1 VAL A 6 0.224 2.011 -8.506 1.00 0.00 C ATOM 93 CG2 VAL A 6 -0.016 3.879 -10.145 1.00 0.00 C ATOM 0 H VAL A 6 0.591 2.877 -6.258 1.00 0.00 H new ATOM 0 HA VAL A 6 0.463 5.390 -7.884 1.00 0.00 H new ATOM 0 HB VAL A 6 1.698 3.533 -8.885 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.583 1.359 -9.302 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.672 1.709 -7.559 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.861 1.933 -8.435 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.342 3.226 -10.941 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.101 3.804 -10.074 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.262 4.909 -10.369 1.00 0.00 H new ATOM 103 N SER A 7 -2.019 3.398 -7.025 1.00 0.00 N ATOM 104 CA SER A 7 -3.509 3.362 -6.976 1.00 0.00 C ATOM 105 C SER A 7 -3.987 2.524 -5.790 1.00 0.00 C ATOM 106 O SER A 7 -3.255 1.728 -5.237 1.00 0.00 O ATOM 107 CB SER A 7 -4.042 2.745 -8.268 1.00 0.00 C ATOM 108 OG SER A 7 -3.389 1.502 -8.499 1.00 0.00 O ATOM 0 H SER A 7 -1.546 2.639 -6.535 1.00 0.00 H new ATOM 0 HA SER A 7 -3.880 4.381 -6.863 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.119 2.595 -8.196 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.870 3.421 -9.106 1.00 0.00 H new ATOM 0 HG SER A 7 -3.730 1.102 -9.326 1.00 0.00 H new ATOM 114 N TYR A 8 -5.223 2.695 -5.409 1.00 0.00 N ATOM 115 CA TYR A 8 -5.784 1.911 -4.278 1.00 0.00 C ATOM 116 C TYR A 8 -7.304 2.057 -4.296 1.00 0.00 C ATOM 117 O TYR A 8 -7.848 2.995 -3.750 1.00 0.00 O ATOM 118 CB TYR A 8 -5.228 2.435 -2.948 1.00 0.00 C ATOM 119 CG TYR A 8 -5.968 1.785 -1.798 1.00 0.00 C ATOM 120 CD1 TYR A 8 -5.671 0.470 -1.426 1.00 0.00 C ATOM 121 CD2 TYR A 8 -6.957 2.498 -1.109 1.00 0.00 C ATOM 122 CE1 TYR A 8 -6.361 -0.134 -0.369 1.00 0.00 C ATOM 123 CE2 TYR A 8 -7.646 1.896 -0.050 1.00 0.00 C ATOM 124 CZ TYR A 8 -7.348 0.579 0.320 1.00 0.00 C ATOM 125 OH TYR A 8 -8.030 -0.017 1.361 1.00 0.00 O ATOM 0 H TYR A 8 -5.873 3.352 -5.839 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.506 0.862 -4.381 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.162 2.218 -2.877 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.337 3.518 -2.898 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.908 -0.080 -1.956 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -7.188 3.513 -1.395 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.132 -1.150 -0.085 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -8.407 2.447 0.482 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.680 0.616 1.731 1.00 0.00 H new ATOM 135 N LEU A 9 -7.996 1.138 -4.923 1.00 0.00 N ATOM 136 CA LEU A 9 -9.485 1.226 -4.985 1.00 0.00 C ATOM 137 C LEU A 9 -10.089 0.269 -3.954 1.00 0.00 C ATOM 138 O LEU A 9 -9.847 -0.923 -3.974 1.00 0.00 O ATOM 139 CB LEU A 9 -9.949 0.841 -6.399 1.00 0.00 C ATOM 140 CG LEU A 9 -9.837 2.058 -7.330 1.00 0.00 C ATOM 141 CD1 LEU A 9 -8.372 2.506 -7.427 1.00 0.00 C ATOM 142 CD2 LEU A 9 -10.353 1.686 -8.725 1.00 0.00 C ATOM 0 H LEU A 9 -7.591 0.329 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.812 2.242 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.341 0.021 -6.781 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.979 0.487 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.436 2.874 -6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.299 3.369 -8.088 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.008 2.776 -6.436 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.768 1.691 -7.826 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.273 2.550 -9.385 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.757 0.866 -9.127 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.396 1.377 -8.657 1.00 0.00 H new ATOM 154 N ALA A 10 -10.873 0.793 -3.054 1.00 0.00 N ATOM 155 CA ALA A 10 -11.507 -0.056 -2.012 1.00 0.00 C ATOM 156 C ALA A 10 -12.685 -0.814 -2.623 1.00 0.00 C ATOM 157 O ALA A 10 -13.207 -1.743 -2.040 1.00 0.00 O ATOM 158 CB ALA A 10 -12.008 0.845 -0.884 1.00 0.00 C ATOM 0 H ALA A 10 -11.103 1.785 -2.997 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.784 -0.772 -1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.476 0.235 -0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.168 1.392 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.737 1.552 -1.280 1.00 0.00 H new ATOM 164 N ALA A 11 -13.114 -0.405 -3.788 1.00 0.00 N ATOM 165 CA ALA A 11 -14.271 -1.069 -4.457 1.00 0.00 C ATOM 166 C ALA A 11 -14.187 -2.588 -4.295 1.00 0.00 C ATOM 167 O ALA A 11 -14.995 -3.191 -3.618 1.00 0.00 O ATOM 168 CB ALA A 11 -14.244 -0.725 -5.945 1.00 0.00 C ATOM 0 H ALA A 11 -12.707 0.370 -4.311 1.00 0.00 H new ATOM 0 HA ALA A 11 -15.195 -0.717 -3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.085 -1.205 -6.445 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.316 0.355 -6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.311 -1.080 -6.384 1.00 0.00 H new ATOM 174 N LYS A 12 -13.219 -3.210 -4.918 1.00 0.00 N ATOM 175 CA LYS A 12 -13.078 -4.694 -4.814 1.00 0.00 C ATOM 176 C LYS A 12 -12.010 -5.023 -3.767 1.00 0.00 C ATOM 177 O LYS A 12 -11.463 -6.105 -3.748 1.00 0.00 O ATOM 178 CB LYS A 12 -12.667 -5.261 -6.185 1.00 0.00 C ATOM 179 CG LYS A 12 -13.079 -6.732 -6.289 1.00 0.00 C ATOM 180 CD LYS A 12 -12.779 -7.250 -7.695 1.00 0.00 C ATOM 181 CE LYS A 12 -13.201 -8.715 -7.790 1.00 0.00 C ATOM 182 NZ LYS A 12 -12.939 -9.221 -9.164 1.00 0.00 N ATOM 0 H LYS A 12 -12.516 -2.751 -5.498 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.026 -5.141 -4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.139 -4.686 -6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.589 -5.166 -6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.540 -7.324 -5.550 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -14.141 -6.839 -6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.314 -6.656 -8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.716 -7.150 -7.913 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.651 -9.310 -7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.260 -8.815 -7.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.227 -10.218 -9.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.483 -8.660 -9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.924 -9.139 -9.376 1.00 0.00 H new ATOM 196 N LYS A 13 -11.708 -4.085 -2.907 1.00 0.00 N ATOM 197 CA LYS A 13 -10.674 -4.317 -1.857 1.00 0.00 C ATOM 198 C LYS A 13 -9.351 -4.730 -2.507 1.00 0.00 C ATOM 199 O LYS A 13 -8.887 -5.839 -2.341 1.00 0.00 O ATOM 200 CB LYS A 13 -11.150 -5.406 -0.884 1.00 0.00 C ATOM 201 CG LYS A 13 -12.274 -4.844 -0.011 1.00 0.00 C ATOM 202 CD LYS A 13 -12.762 -5.924 0.961 1.00 0.00 C ATOM 203 CE LYS A 13 -13.815 -5.330 1.901 1.00 0.00 C ATOM 204 NZ LYS A 13 -15.113 -5.202 1.181 1.00 0.00 N ATOM 0 H LYS A 13 -12.138 -3.160 -2.888 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.518 -3.392 -1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.504 -6.276 -1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.321 -5.741 -0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.917 -3.976 0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.099 -4.505 -0.637 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.185 -6.762 0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.924 -6.314 1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.935 -5.967 2.777 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.488 -4.354 2.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.546 -4.283 1.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.949 -5.266 0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.752 -5.967 1.478 1.00 0.00 H new ATOM 218 N TYR A 14 -8.739 -3.838 -3.247 1.00 0.00 N ATOM 219 CA TYR A 14 -7.443 -4.167 -3.908 1.00 0.00 C ATOM 220 C TYR A 14 -6.672 -2.875 -4.175 1.00 0.00 C ATOM 221 O TYR A 14 -7.195 -1.789 -4.024 1.00 0.00 O ATOM 222 CB TYR A 14 -7.699 -4.892 -5.236 1.00 0.00 C ATOM 223 CG TYR A 14 -8.340 -3.946 -6.233 1.00 0.00 C ATOM 224 CD1 TYR A 14 -9.640 -3.471 -6.018 1.00 0.00 C ATOM 225 CD2 TYR A 14 -7.636 -3.553 -7.382 1.00 0.00 C ATOM 226 CE1 TYR A 14 -10.235 -2.606 -6.945 1.00 0.00 C ATOM 227 CE2 TYR A 14 -8.230 -2.687 -8.307 1.00 0.00 C ATOM 228 CZ TYR A 14 -9.530 -2.214 -8.089 1.00 0.00 C ATOM 229 OH TYR A 14 -10.117 -1.361 -9.002 1.00 0.00 O ATOM 0 H TYR A 14 -9.084 -2.894 -3.421 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.861 -4.817 -3.254 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.760 -5.274 -5.637 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.348 -5.752 -5.070 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.185 -3.772 -5.135 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.634 -3.919 -7.552 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.238 -2.241 -6.777 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.686 -2.383 -9.189 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.492 -1.188 -9.737 1.00 0.00 H new ATOM 239 N GLY A 15 -5.437 -2.981 -4.578 1.00 0.00 N ATOM 240 CA GLY A 15 -4.645 -1.756 -4.858 1.00 0.00 C ATOM 241 C GLY A 15 -3.290 -2.151 -5.437 1.00 0.00 C ATOM 242 O GLY A 15 -2.902 -3.301 -5.395 1.00 0.00 O ATOM 0 H GLY A 15 -4.944 -3.862 -4.725 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.180 -1.116 -5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.508 -1.181 -3.942 1.00 0.00 H new ATOM 246 N PHE A 16 -2.571 -1.203 -5.986 1.00 0.00 N ATOM 247 CA PHE A 16 -1.236 -1.504 -6.584 1.00 0.00 C ATOM 248 C PHE A 16 -0.222 -0.476 -6.095 1.00 0.00 C ATOM 249 O PHE A 16 -0.565 0.655 -5.806 1.00 0.00 O ATOM 250 CB PHE A 16 -1.339 -1.428 -8.107 1.00 0.00 C ATOM 251 CG PHE A 16 -2.187 -2.570 -8.609 1.00 0.00 C ATOM 252 CD1 PHE A 16 -1.624 -3.840 -8.764 1.00 0.00 C ATOM 253 CD2 PHE A 16 -3.537 -2.359 -8.916 1.00 0.00 C ATOM 254 CE1 PHE A 16 -2.409 -4.902 -9.227 1.00 0.00 C ATOM 255 CE2 PHE A 16 -4.323 -3.421 -9.379 1.00 0.00 C ATOM 256 CZ PHE A 16 -3.758 -4.693 -9.535 1.00 0.00 C ATOM 0 H PHE A 16 -2.856 -0.225 -6.045 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.916 -2.503 -6.287 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.778 -0.476 -8.406 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.345 -1.475 -8.553 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.583 -4.002 -8.526 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.971 -1.378 -8.796 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.974 -5.883 -9.347 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.364 -3.259 -9.616 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.363 -5.513 -9.893 1.00 0.00 H new ATOM 266 N ILE A 17 1.027 -0.860 -6.006 1.00 0.00 N ATOM 267 CA ILE A 17 2.086 0.084 -5.539 1.00 0.00 C ATOM 268 C ILE A 17 3.290 -0.016 -6.468 1.00 0.00 C ATOM 269 O ILE A 17 3.579 -1.063 -7.012 1.00 0.00 O ATOM 270 CB ILE A 17 2.509 -0.282 -4.117 1.00 0.00 C ATOM 271 CG1 ILE A 17 1.333 -0.047 -3.165 1.00 0.00 C ATOM 272 CG2 ILE A 17 3.691 0.591 -3.693 1.00 0.00 C ATOM 273 CD1 ILE A 17 1.653 -0.633 -1.787 1.00 0.00 C ATOM 0 H ILE A 17 1.360 -1.795 -6.239 1.00 0.00 H new ATOM 0 HA ILE A 17 1.697 1.102 -5.548 1.00 0.00 H new ATOM 0 HB ILE A 17 2.805 -1.331 -4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.132 1.021 -3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.431 -0.509 -3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.992 0.329 -2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.527 0.427 -4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.398 1.640 -3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.812 -0.462 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.832 -1.704 -1.880 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.543 -0.150 -1.384 1.00 0.00 H new ATOM 285 N GLN A 18 3.992 1.066 -6.658 1.00 0.00 N ATOM 286 CA GLN A 18 5.176 1.040 -7.560 1.00 0.00 C ATOM 287 C GLN A 18 6.440 0.803 -6.738 1.00 0.00 C ATOM 288 O GLN A 18 6.808 1.601 -5.900 1.00 0.00 O ATOM 289 CB GLN A 18 5.286 2.387 -8.277 1.00 0.00 C ATOM 290 CG GLN A 18 6.411 2.333 -9.312 1.00 0.00 C ATOM 291 CD GLN A 18 6.040 1.344 -10.417 1.00 0.00 C ATOM 292 OE1 GLN A 18 5.051 1.522 -11.097 1.00 0.00 O ATOM 293 NE2 GLN A 18 6.791 0.298 -10.618 1.00 0.00 N ATOM 0 H GLN A 18 3.796 1.969 -6.226 1.00 0.00 H new ATOM 0 HA GLN A 18 5.063 0.238 -8.290 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.342 2.628 -8.765 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.482 3.179 -7.554 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.577 3.323 -9.736 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.343 2.030 -8.836 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.622 0.149 -10.046 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.548 -0.372 -11.348 1.00 0.00 H new ATOM 302 N GLY A 19 7.110 -0.289 -6.979 1.00 0.00 N ATOM 303 CA GLY A 19 8.356 -0.584 -6.224 1.00 0.00 C ATOM 304 C GLY A 19 9.483 0.319 -6.727 1.00 0.00 C ATOM 305 O GLY A 19 9.434 0.842 -7.821 1.00 0.00 O ATOM 0 H GLY A 19 6.846 -0.992 -7.670 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.195 -0.423 -5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.631 -1.631 -6.350 1.00 0.00 H new ATOM 309 N ASP A 20 10.503 0.496 -5.935 1.00 0.00 N ATOM 310 CA ASP A 20 11.646 1.352 -6.356 1.00 0.00 C ATOM 311 C ASP A 20 12.346 0.718 -7.561 1.00 0.00 C ATOM 312 O ASP A 20 12.831 1.399 -8.440 1.00 0.00 O ATOM 313 CB ASP A 20 12.626 1.464 -5.192 1.00 0.00 C ATOM 314 CG ASP A 20 13.655 2.553 -5.484 1.00 0.00 C ATOM 315 OD1 ASP A 20 13.399 3.365 -6.359 1.00 0.00 O ATOM 316 OD2 ASP A 20 14.683 2.558 -4.828 1.00 0.00 O ATOM 0 H ASP A 20 10.594 0.081 -5.008 1.00 0.00 H new ATOM 0 HA ASP A 20 11.287 2.342 -6.636 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.088 1.697 -4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.128 0.509 -5.035 1.00 0.00 H new ATOM 321 N ASP A 21 12.413 -0.585 -7.600 1.00 0.00 N ATOM 322 CA ASP A 21 13.087 -1.267 -8.737 1.00 0.00 C ATOM 323 C ASP A 21 12.131 -1.335 -9.931 1.00 0.00 C ATOM 324 O ASP A 21 12.470 -1.840 -10.981 1.00 0.00 O ATOM 325 CB ASP A 21 13.478 -2.683 -8.307 1.00 0.00 C ATOM 326 CG ASP A 21 14.508 -2.604 -7.179 1.00 0.00 C ATOM 327 OD1 ASP A 21 14.711 -1.516 -6.664 1.00 0.00 O ATOM 328 OD2 ASP A 21 15.074 -3.632 -6.846 1.00 0.00 O ATOM 0 H ASP A 21 12.028 -1.207 -6.890 1.00 0.00 H new ATOM 0 HA ASP A 21 13.980 -0.712 -9.025 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.597 -3.230 -7.972 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.891 -3.231 -9.154 1.00 0.00 H new ATOM 333 N GLY A 22 10.931 -0.828 -9.777 1.00 0.00 N ATOM 334 CA GLY A 22 9.941 -0.858 -10.897 1.00 0.00 C ATOM 335 C GLY A 22 9.008 -2.056 -10.715 1.00 0.00 C ATOM 336 O GLY A 22 8.064 -2.238 -11.456 1.00 0.00 O ATOM 0 H GLY A 22 10.594 -0.393 -8.918 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.365 0.067 -10.913 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.459 -0.928 -11.854 1.00 0.00 H new ATOM 340 N GLU A 23 9.267 -2.881 -9.737 1.00 0.00 N ATOM 341 CA GLU A 23 8.402 -4.075 -9.512 1.00 0.00 C ATOM 342 C GLU A 23 7.127 -3.676 -8.760 1.00 0.00 C ATOM 343 O GLU A 23 7.165 -2.949 -7.787 1.00 0.00 O ATOM 344 CB GLU A 23 9.181 -5.115 -8.705 1.00 0.00 C ATOM 345 CG GLU A 23 9.694 -4.489 -7.406 1.00 0.00 C ATOM 346 CD GLU A 23 10.593 -5.490 -6.682 1.00 0.00 C ATOM 347 OE1 GLU A 23 10.652 -6.627 -7.118 1.00 0.00 O ATOM 348 OE2 GLU A 23 11.217 -5.099 -5.708 1.00 0.00 O ATOM 0 H GLU A 23 10.042 -2.779 -9.082 1.00 0.00 H new ATOM 0 HA GLU A 23 8.116 -4.498 -10.475 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.540 -5.968 -8.480 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.018 -5.492 -9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.248 -3.576 -7.623 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.856 -4.209 -6.768 1.00 0.00 H new ATOM 355 N SER A 24 5.994 -4.144 -9.216 1.00 0.00 N ATOM 356 CA SER A 24 4.703 -3.797 -8.551 1.00 0.00 C ATOM 357 C SER A 24 4.451 -4.720 -7.356 1.00 0.00 C ATOM 358 O SER A 24 5.045 -5.774 -7.236 1.00 0.00 O ATOM 359 CB SER A 24 3.565 -3.961 -9.557 1.00 0.00 C ATOM 360 OG SER A 24 3.198 -5.332 -9.625 1.00 0.00 O ATOM 0 H SER A 24 5.908 -4.757 -10.027 1.00 0.00 H new ATOM 0 HA SER A 24 4.752 -2.767 -8.198 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.709 -3.357 -9.258 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.877 -3.606 -10.539 1.00 0.00 H new ATOM 0 HG SER A 24 2.467 -5.443 -10.268 1.00 0.00 H new ATOM 366 N TYR A 25 3.557 -4.332 -6.475 1.00 0.00 N ATOM 367 CA TYR A 25 3.234 -5.173 -5.281 1.00 0.00 C ATOM 368 C TYR A 25 1.717 -5.240 -5.099 1.00 0.00 C ATOM 369 O TYR A 25 1.004 -4.303 -5.397 1.00 0.00 O ATOM 370 CB TYR A 25 3.878 -4.560 -4.036 1.00 0.00 C ATOM 371 CG TYR A 25 5.367 -4.806 -4.077 1.00 0.00 C ATOM 372 CD1 TYR A 25 5.863 -6.077 -3.771 1.00 0.00 C ATOM 373 CD2 TYR A 25 6.250 -3.774 -4.419 1.00 0.00 C ATOM 374 CE1 TYR A 25 7.239 -6.320 -3.802 1.00 0.00 C ATOM 375 CE2 TYR A 25 7.629 -4.018 -4.452 1.00 0.00 C ATOM 376 CZ TYR A 25 8.123 -5.291 -4.143 1.00 0.00 C ATOM 377 OH TYR A 25 9.481 -5.532 -4.171 1.00 0.00 O ATOM 0 H TYR A 25 3.033 -3.459 -6.535 1.00 0.00 H new ATOM 0 HA TYR A 25 3.623 -6.180 -5.428 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.675 -3.490 -3.996 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.449 -5.000 -3.136 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.181 -6.873 -3.510 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.868 -2.792 -4.657 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.620 -7.302 -3.563 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.311 -3.224 -4.716 1.00 0.00 H new ATOM 0 HH TYR A 25 9.945 -4.749 -4.534 1.00 0.00 H new ATOM 387 N PHE A 26 1.219 -6.349 -4.620 1.00 0.00 N ATOM 388 CA PHE A 26 -0.251 -6.491 -4.427 1.00 0.00 C ATOM 389 C PHE A 26 -0.627 -5.989 -3.034 1.00 0.00 C ATOM 390 O PHE A 26 -0.081 -6.431 -2.043 1.00 0.00 O ATOM 391 CB PHE A 26 -0.631 -7.967 -4.553 1.00 0.00 C ATOM 392 CG PHE A 26 -2.133 -8.096 -4.620 1.00 0.00 C ATOM 393 CD1 PHE A 26 -2.823 -7.588 -5.727 1.00 0.00 C ATOM 394 CD2 PHE A 26 -2.839 -8.723 -3.584 1.00 0.00 C ATOM 395 CE1 PHE A 26 -4.214 -7.706 -5.800 1.00 0.00 C ATOM 396 CE2 PHE A 26 -4.231 -8.841 -3.658 1.00 0.00 C ATOM 397 CZ PHE A 26 -4.920 -8.332 -4.766 1.00 0.00 C ATOM 0 H PHE A 26 1.770 -7.165 -4.354 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.781 -5.908 -5.180 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.178 -8.395 -5.447 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.245 -8.527 -3.701 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.280 -7.104 -6.526 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.308 -9.115 -2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.745 -7.314 -6.655 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.775 -9.325 -2.860 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.995 -8.422 -4.823 1.00 0.00 H new ATOM 407 N LEU A 27 -1.551 -5.065 -2.949 1.00 0.00 N ATOM 408 CA LEU A 27 -1.961 -4.527 -1.614 1.00 0.00 C ATOM 409 C LEU A 27 -3.304 -5.142 -1.223 1.00 0.00 C ATOM 410 O LEU A 27 -4.281 -5.020 -1.934 1.00 0.00 O ATOM 411 CB LEU A 27 -2.101 -3.004 -1.719 1.00 0.00 C ATOM 412 CG LEU A 27 -2.131 -2.375 -0.314 1.00 0.00 C ATOM 413 CD1 LEU A 27 -2.030 -0.848 -0.433 1.00 0.00 C ATOM 414 CD2 LEU A 27 -3.432 -2.756 0.422 1.00 0.00 C ATOM 0 H LEU A 27 -2.040 -4.659 -3.747 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.215 -4.775 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.269 -2.594 -2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.014 -2.752 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.284 -2.754 0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.051 -0.403 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.096 -0.583 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.870 -0.472 -1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.435 -2.303 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.290 -2.395 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.491 -3.840 0.519 1.00 0.00 H new ATOM 426 N HIS A 28 -3.355 -5.805 -0.095 1.00 0.00 N ATOM 427 CA HIS A 28 -4.627 -6.441 0.362 1.00 0.00 C ATOM 428 C HIS A 28 -4.831 -6.160 1.855 1.00 0.00 C ATOM 429 O HIS A 28 -3.932 -5.722 2.545 1.00 0.00 O ATOM 430 CB HIS A 28 -4.536 -7.951 0.137 1.00 0.00 C ATOM 431 CG HIS A 28 -5.862 -8.582 0.452 1.00 0.00 C ATOM 432 ND1 HIS A 28 -6.095 -9.258 1.638 1.00 0.00 N ATOM 433 CD2 HIS A 28 -7.037 -8.647 -0.256 1.00 0.00 C ATOM 434 CE1 HIS A 28 -7.367 -9.698 1.610 1.00 0.00 C ATOM 435 NE2 HIS A 28 -7.986 -9.352 0.478 1.00 0.00 N ATOM 0 H HIS A 28 -2.562 -5.934 0.534 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.467 -6.033 -0.200 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.257 -8.160 -0.896 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.758 -8.378 0.770 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.200 -8.217 -1.233 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -7.831 -10.262 2.406 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -8.948 -9.560 0.209 1.00 0.00 H new ATOM 443 N PHE A 29 -6.010 -6.412 2.355 1.00 0.00 N ATOM 444 CA PHE A 29 -6.301 -6.170 3.797 1.00 0.00 C ATOM 445 C PHE A 29 -5.400 -7.057 4.660 1.00 0.00 C ATOM 446 O PHE A 29 -4.909 -6.649 5.692 1.00 0.00 O ATOM 447 CB PHE A 29 -7.768 -6.526 4.070 1.00 0.00 C ATOM 448 CG PHE A 29 -8.671 -5.407 3.598 1.00 0.00 C ATOM 449 CD1 PHE A 29 -8.704 -5.055 2.243 1.00 0.00 C ATOM 450 CD2 PHE A 29 -9.482 -4.726 4.516 1.00 0.00 C ATOM 451 CE1 PHE A 29 -9.544 -4.026 1.809 1.00 0.00 C ATOM 452 CE2 PHE A 29 -10.321 -3.696 4.080 1.00 0.00 C ATOM 453 CZ PHE A 29 -10.354 -3.346 2.725 1.00 0.00 C ATOM 0 H PHE A 29 -6.795 -6.780 1.818 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.116 -5.124 4.039 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.027 -7.453 3.558 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.916 -6.698 5.136 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.080 -5.579 1.534 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.459 -4.997 5.561 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.568 -3.755 0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.944 -3.170 4.789 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.004 -2.552 2.387 1.00 0.00 H new ATOM 463 N SER A 30 -5.198 -8.273 4.247 1.00 0.00 N ATOM 464 CA SER A 30 -4.352 -9.206 5.034 1.00 0.00 C ATOM 465 C SER A 30 -2.930 -8.651 5.151 1.00 0.00 C ATOM 466 O SER A 30 -2.184 -9.022 6.035 1.00 0.00 O ATOM 467 CB SER A 30 -4.331 -10.563 4.325 1.00 0.00 C ATOM 468 OG SER A 30 -5.597 -10.786 3.715 1.00 0.00 O ATOM 0 H SER A 30 -5.587 -8.664 3.389 1.00 0.00 H new ATOM 0 HA SER A 30 -4.761 -9.321 6.038 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.542 -10.583 3.573 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.112 -11.357 5.038 1.00 0.00 H new ATOM 0 HG SER A 30 -5.535 -10.598 2.755 1.00 0.00 H new ATOM 474 N GLU A 31 -2.543 -7.772 4.266 1.00 0.00 N ATOM 475 CA GLU A 31 -1.169 -7.205 4.328 1.00 0.00 C ATOM 476 C GLU A 31 -1.176 -5.944 5.194 1.00 0.00 C ATOM 477 O GLU A 31 -0.144 -5.381 5.491 1.00 0.00 O ATOM 478 CB GLU A 31 -0.713 -6.854 2.911 1.00 0.00 C ATOM 479 CG GLU A 31 -0.527 -8.140 2.102 1.00 0.00 C ATOM 480 CD GLU A 31 -0.141 -7.788 0.664 1.00 0.00 C ATOM 481 OE1 GLU A 31 0.035 -6.612 0.389 1.00 0.00 O ATOM 482 OE2 GLU A 31 -0.027 -8.700 -0.138 1.00 0.00 O ATOM 0 H GLU A 31 -3.122 -7.423 3.502 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.486 -7.934 4.764 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.450 -6.212 2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.222 -6.295 2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.247 -8.759 2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.448 -8.723 2.110 1.00 0.00 H new ATOM 489 N LEU A 32 -2.335 -5.496 5.608 1.00 0.00 N ATOM 490 CA LEU A 32 -2.397 -4.271 6.458 1.00 0.00 C ATOM 491 C LEU A 32 -2.243 -4.655 7.929 1.00 0.00 C ATOM 492 O LEU A 32 -3.143 -5.198 8.539 1.00 0.00 O ATOM 493 CB LEU A 32 -3.743 -3.566 6.257 1.00 0.00 C ATOM 494 CG LEU A 32 -3.902 -3.127 4.794 1.00 0.00 C ATOM 495 CD1 LEU A 32 -5.277 -2.469 4.613 1.00 0.00 C ATOM 496 CD2 LEU A 32 -2.796 -2.123 4.414 1.00 0.00 C ATOM 0 H LEU A 32 -3.236 -5.924 5.395 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.589 -3.599 6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.557 -4.236 6.533 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.808 -2.698 6.913 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.820 -4.000 4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.396 -2.155 3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.059 -3.184 4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.353 -1.600 5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.921 -1.820 3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.864 -1.246 5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.820 -2.592 4.541 1.00 0.00 H new ATOM 508 N LEU A 33 -1.113 -4.362 8.506 1.00 0.00 N ATOM 509 CA LEU A 33 -0.895 -4.689 9.939 1.00 0.00 C ATOM 510 C LEU A 33 -1.883 -3.876 10.769 1.00 0.00 C ATOM 511 O LEU A 33 -2.475 -4.366 11.709 1.00 0.00 O ATOM 512 CB LEU A 33 0.543 -4.322 10.319 1.00 0.00 C ATOM 513 CG LEU A 33 1.508 -5.426 9.850 1.00 0.00 C ATOM 514 CD1 LEU A 33 1.326 -6.711 10.685 1.00 0.00 C ATOM 515 CD2 LEU A 33 1.252 -5.723 8.366 1.00 0.00 C ATOM 0 H LEU A 33 -0.326 -3.907 8.043 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.049 -5.752 10.123 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.817 -3.370 9.864 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.621 -4.193 11.399 1.00 0.00 H new ATOM 0 HG LEU A 33 2.532 -5.079 9.986 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.019 -7.475 10.333 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.526 -6.495 11.734 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.303 -7.073 10.578 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.933 -6.504 8.029 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.223 -6.057 8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.418 -4.819 7.780 1.00 0.00 H new ATOM 527 N ASP A 34 -2.070 -2.632 10.407 1.00 0.00 N ATOM 528 CA ASP A 34 -3.029 -1.753 11.134 1.00 0.00 C ATOM 529 C ASP A 34 -4.183 -1.414 10.189 1.00 0.00 C ATOM 530 O ASP A 34 -4.089 -0.523 9.371 1.00 0.00 O ATOM 531 CB ASP A 34 -2.310 -0.473 11.569 1.00 0.00 C ATOM 532 CG ASP A 34 -1.393 -0.779 12.758 1.00 0.00 C ATOM 533 OD1 ASP A 34 -1.537 -1.844 13.336 1.00 0.00 O ATOM 534 OD2 ASP A 34 -0.565 0.060 13.074 1.00 0.00 O ATOM 0 H ASP A 34 -1.590 -2.184 9.626 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.416 -2.257 12.020 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.727 -0.072 10.740 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.038 0.290 11.845 1.00 0.00 H new ATOM 539 N LYS A 35 -5.271 -2.127 10.295 1.00 0.00 N ATOM 540 CA LYS A 35 -6.434 -1.864 9.408 1.00 0.00 C ATOM 541 C LYS A 35 -6.985 -0.471 9.701 1.00 0.00 C ATOM 542 O LYS A 35 -7.582 0.164 8.854 1.00 0.00 O ATOM 543 CB LYS A 35 -7.520 -2.908 9.660 1.00 0.00 C ATOM 544 CG LYS A 35 -7.029 -4.280 9.191 1.00 0.00 C ATOM 545 CD LYS A 35 -8.135 -5.312 9.415 1.00 0.00 C ATOM 546 CE LYS A 35 -7.619 -6.702 9.041 1.00 0.00 C ATOM 547 NZ LYS A 35 -7.354 -6.754 7.575 1.00 0.00 N ATOM 0 H LYS A 35 -5.403 -2.886 10.964 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.118 -1.921 8.366 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.767 -2.942 10.721 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.432 -2.635 9.129 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.759 -4.242 8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.132 -4.566 9.740 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.453 -5.299 10.457 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.008 -5.062 8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.707 -6.924 9.595 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.352 -7.460 9.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.783 -7.613 7.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.767 -5.916 7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.328 -6.769 7.408 1.00 0.00 H new ATOM 561 N LYS A 36 -6.797 0.004 10.899 1.00 0.00 N ATOM 562 CA LYS A 36 -7.311 1.351 11.255 1.00 0.00 C ATOM 563 C LYS A 36 -6.671 2.389 10.332 1.00 0.00 C ATOM 564 O LYS A 36 -7.238 3.425 10.055 1.00 0.00 O ATOM 565 CB LYS A 36 -6.955 1.650 12.714 1.00 0.00 C ATOM 566 CG LYS A 36 -5.444 1.478 12.917 1.00 0.00 C ATOM 567 CD LYS A 36 -5.049 1.917 14.332 1.00 0.00 C ATOM 568 CE LYS A 36 -5.461 0.853 15.357 1.00 0.00 C ATOM 569 NZ LYS A 36 -4.831 1.166 16.671 1.00 0.00 N ATOM 0 H LYS A 36 -6.308 -0.485 11.648 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.394 1.387 11.136 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.254 2.666 12.972 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.501 0.979 13.378 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.164 0.436 12.760 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.901 2.069 12.180 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.973 2.081 14.381 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.527 2.867 14.572 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.546 0.829 15.457 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.150 -0.135 15.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.108 0.447 17.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.796 1.168 16.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.149 2.102 16.994 1.00 0.00 H new ATOM 583 N ASP A 37 -5.491 2.109 9.851 1.00 0.00 N ATOM 584 CA ASP A 37 -4.803 3.060 8.941 1.00 0.00 C ATOM 585 C ASP A 37 -5.487 3.033 7.571 1.00 0.00 C ATOM 586 O ASP A 37 -5.206 3.839 6.708 1.00 0.00 O ATOM 587 CB ASP A 37 -3.343 2.632 8.790 1.00 0.00 C ATOM 588 CG ASP A 37 -2.607 2.838 10.117 1.00 0.00 C ATOM 589 OD1 ASP A 37 -3.137 3.534 10.968 1.00 0.00 O ATOM 590 OD2 ASP A 37 -1.525 2.294 10.258 1.00 0.00 O ATOM 0 H ASP A 37 -4.972 1.254 10.053 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.851 4.069 9.350 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.290 1.585 8.492 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.863 3.213 8.002 1.00 0.00 H new ATOM 595 N GLU A 38 -6.379 2.099 7.368 1.00 0.00 N ATOM 596 CA GLU A 38 -7.084 1.997 6.059 1.00 0.00 C ATOM 597 C GLU A 38 -7.946 3.241 5.830 1.00 0.00 C ATOM 598 O GLU A 38 -8.097 3.703 4.719 1.00 0.00 O ATOM 599 CB GLU A 38 -7.976 0.756 6.069 1.00 0.00 C ATOM 600 CG GLU A 38 -8.636 0.584 4.699 1.00 0.00 C ATOM 601 CD GLU A 38 -9.493 -0.680 4.701 1.00 0.00 C ATOM 602 OE1 GLU A 38 -9.310 -1.493 5.594 1.00 0.00 O ATOM 603 OE2 GLU A 38 -10.317 -0.815 3.814 1.00 0.00 O ATOM 0 H GLU A 38 -6.650 1.399 8.058 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.349 1.922 5.257 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.385 -0.127 6.312 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.739 0.851 6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.252 1.453 4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.874 0.518 3.922 1.00 0.00 H new ATOM 610 N GLY A 39 -8.523 3.779 6.872 1.00 0.00 N ATOM 611 CA GLY A 39 -9.387 4.983 6.710 1.00 0.00 C ATOM 612 C GLY A 39 -8.521 6.207 6.413 1.00 0.00 C ATOM 613 O GLY A 39 -9.018 7.303 6.255 1.00 0.00 O ATOM 0 H GLY A 39 -8.433 3.436 7.828 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.099 4.825 5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.968 5.149 7.617 1.00 0.00 H new ATOM 617 N LYS A 40 -7.228 6.032 6.328 1.00 0.00 N ATOM 618 CA LYS A 40 -6.331 7.186 6.031 1.00 0.00 C ATOM 619 C LYS A 40 -5.102 6.679 5.273 1.00 0.00 C ATOM 620 O LYS A 40 -3.980 6.847 5.703 1.00 0.00 O ATOM 621 CB LYS A 40 -5.909 7.864 7.337 1.00 0.00 C ATOM 622 CG LYS A 40 -5.416 6.820 8.335 1.00 0.00 C ATOM 623 CD LYS A 40 -5.003 7.522 9.628 1.00 0.00 C ATOM 624 CE LYS A 40 -4.527 6.482 10.636 1.00 0.00 C ATOM 625 NZ LYS A 40 -4.111 7.159 11.899 1.00 0.00 N ATOM 0 H LYS A 40 -6.754 5.137 6.452 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.858 7.916 5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.121 8.591 7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.751 8.413 7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.202 6.092 8.537 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.571 6.271 7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.209 8.241 9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.844 8.082 10.036 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.325 5.768 10.841 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.692 5.917 10.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.787 6.447 12.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.337 7.823 11.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.919 7.679 12.296 1.00 0.00 H new ATOM 639 N LEU A 41 -5.315 6.052 4.145 1.00 0.00 N ATOM 640 CA LEU A 41 -4.178 5.516 3.344 1.00 0.00 C ATOM 641 C LEU A 41 -3.550 6.631 2.503 1.00 0.00 C ATOM 642 O LEU A 41 -3.787 7.803 2.719 1.00 0.00 O ATOM 643 CB LEU A 41 -4.703 4.386 2.424 1.00 0.00 C ATOM 644 CG LEU A 41 -4.570 3.017 3.124 1.00 0.00 C ATOM 645 CD1 LEU A 41 -5.593 2.038 2.536 1.00 0.00 C ATOM 646 CD2 LEU A 41 -3.154 2.456 2.909 1.00 0.00 C ATOM 0 H LEU A 41 -6.238 5.888 3.742 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.414 5.120 4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.746 4.571 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.143 4.380 1.489 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.753 3.144 4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.498 1.072 3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.599 2.427 2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.410 1.918 1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.066 1.490 3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.969 2.334 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.422 3.147 3.327 1.00 0.00 H new ATOM 658 N VAL A 42 -2.735 6.256 1.546 1.00 0.00 N ATOM 659 CA VAL A 42 -2.049 7.250 0.669 1.00 0.00 C ATOM 660 C VAL A 42 -2.430 7.001 -0.787 1.00 0.00 C ATOM 661 O VAL A 42 -2.871 5.933 -1.158 1.00 0.00 O ATOM 662 CB VAL A 42 -0.519 7.106 0.828 1.00 0.00 C ATOM 663 CG1 VAL A 42 -0.046 7.924 2.026 1.00 0.00 C ATOM 664 CG2 VAL A 42 -0.145 5.631 1.051 1.00 0.00 C ATOM 0 H VAL A 42 -2.514 5.283 1.334 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.355 8.256 0.957 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.039 7.468 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.034 7.820 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.295 8.974 1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.538 7.564 2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.936 5.542 1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.633 5.264 1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.472 5.039 0.196 1.00 0.00 H new ATOM 674 N LYS A 43 -2.254 7.997 -1.611 1.00 0.00 N ATOM 675 CA LYS A 43 -2.595 7.861 -3.048 1.00 0.00 C ATOM 676 C LYS A 43 -1.643 8.734 -3.865 1.00 0.00 C ATOM 677 O LYS A 43 -1.879 9.908 -4.066 1.00 0.00 O ATOM 678 CB LYS A 43 -4.037 8.320 -3.255 1.00 0.00 C ATOM 679 CG LYS A 43 -4.442 8.092 -4.713 1.00 0.00 C ATOM 680 CD LYS A 43 -5.894 8.542 -4.931 1.00 0.00 C ATOM 681 CE LYS A 43 -6.871 7.506 -4.356 1.00 0.00 C ATOM 682 NZ LYS A 43 -8.251 7.818 -4.826 1.00 0.00 N ATOM 0 H LYS A 43 -1.884 8.909 -1.343 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.497 6.824 -3.370 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.704 7.770 -2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.134 9.375 -3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.777 8.647 -5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.337 7.037 -4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.057 9.508 -4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.083 8.677 -5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.584 6.503 -4.673 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.834 7.519 -3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.916 7.119 -4.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.521 8.769 -4.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.280 7.785 -5.865 1.00 0.00 H new ATOM 696 N GLY A 44 -0.564 8.164 -4.339 1.00 0.00 N ATOM 697 CA GLY A 44 0.421 8.944 -5.147 1.00 0.00 C ATOM 698 C GLY A 44 1.593 9.384 -4.262 1.00 0.00 C ATOM 699 O GLY A 44 2.613 9.817 -4.753 1.00 0.00 O ATOM 0 H GLY A 44 -0.322 7.183 -4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.787 8.336 -5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.064 9.817 -5.583 1.00 0.00 H new ATOM 703 N SER A 45 1.461 9.291 -2.961 1.00 0.00 N ATOM 704 CA SER A 45 2.576 9.724 -2.063 1.00 0.00 C ATOM 705 C SER A 45 3.578 8.585 -1.842 1.00 0.00 C ATOM 706 O SER A 45 3.457 7.511 -2.398 1.00 0.00 O ATOM 707 CB SER A 45 1.997 10.166 -0.720 1.00 0.00 C ATOM 708 OG SER A 45 1.423 11.457 -0.868 1.00 0.00 O ATOM 0 H SER A 45 0.633 8.935 -2.484 1.00 0.00 H new ATOM 0 HA SER A 45 3.102 10.554 -2.535 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.243 9.455 -0.382 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.779 10.186 0.039 1.00 0.00 H new ATOM 0 HG SER A 45 2.100 12.140 -0.678 1.00 0.00 H new ATOM 714 N MET A 46 4.578 8.829 -1.032 1.00 0.00 N ATOM 715 CA MET A 46 5.613 7.791 -0.758 1.00 0.00 C ATOM 716 C MET A 46 5.122 6.818 0.310 1.00 0.00 C ATOM 717 O MET A 46 4.412 7.191 1.223 1.00 0.00 O ATOM 718 CB MET A 46 6.884 8.474 -0.261 1.00 0.00 C ATOM 719 CG MET A 46 7.488 9.296 -1.395 1.00 0.00 C ATOM 720 SD MET A 46 9.045 10.035 -0.839 1.00 0.00 S ATOM 721 CE MET A 46 8.344 11.215 0.345 1.00 0.00 C ATOM 0 H MET A 46 4.721 9.714 -0.545 1.00 0.00 H new ATOM 0 HA MET A 46 5.813 7.239 -1.676 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.657 9.117 0.589 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.600 7.729 0.085 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.663 8.663 -2.265 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.792 10.076 -1.704 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.030 12.052 0.475 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.389 11.584 -0.031 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.190 10.720 1.304 1.00 0.00 H new ATOM 731 N VAL A 47 5.503 5.569 0.202 1.00 0.00 N ATOM 732 CA VAL A 47 5.075 4.544 1.205 1.00 0.00 C ATOM 733 C VAL A 47 6.291 3.723 1.620 1.00 0.00 C ATOM 734 O VAL A 47 7.307 3.737 0.953 1.00 0.00 O ATOM 735 CB VAL A 47 4.012 3.626 0.574 1.00 0.00 C ATOM 736 CG1 VAL A 47 3.020 4.474 -0.240 1.00 0.00 C ATOM 737 CG2 VAL A 47 4.679 2.591 -0.352 1.00 0.00 C ATOM 0 H VAL A 47 6.098 5.212 -0.546 1.00 0.00 H new ATOM 0 HA VAL A 47 4.649 5.032 2.081 1.00 0.00 H new ATOM 0 HB VAL A 47 3.484 3.101 1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.267 3.824 -0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.533 5.195 0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.555 5.004 -1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.915 1.949 -0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.219 3.107 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.376 1.983 0.224 1.00 0.00 H new ATOM 747 N HIS A 48 6.199 2.999 2.706 1.00 0.00 N ATOM 748 CA HIS A 48 7.356 2.163 3.150 1.00 0.00 C ATOM 749 C HIS A 48 6.857 0.779 3.556 1.00 0.00 C ATOM 750 O HIS A 48 5.870 0.644 4.248 1.00 0.00 O ATOM 751 CB HIS A 48 8.040 2.827 4.344 1.00 0.00 C ATOM 752 CG HIS A 48 9.333 2.118 4.617 1.00 0.00 C ATOM 753 ND1 HIS A 48 10.399 2.168 3.734 1.00 0.00 N ATOM 754 CD2 HIS A 48 9.746 1.328 5.660 1.00 0.00 C ATOM 755 CE1 HIS A 48 11.393 1.429 4.256 1.00 0.00 C ATOM 756 NE2 HIS A 48 11.048 0.894 5.431 1.00 0.00 N ATOM 0 H HIS A 48 5.374 2.950 3.304 1.00 0.00 H new ATOM 0 HA HIS A 48 8.069 2.068 2.331 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.224 3.881 4.135 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.394 2.784 5.221 1.00 0.00 H new ATOM 0 HD2 HIS A 48 9.151 1.081 6.527 1.00 0.00 H new ATOM 0 HE1 HIS A 48 12.353 1.285 3.783 1.00 0.00 H new ATOM 0 HE2 HIS A 48 11.617 0.296 6.031 1.00 0.00 H new ATOM 764 N PHE A 49 7.536 -0.253 3.134 1.00 0.00 N ATOM 765 CA PHE A 49 7.109 -1.632 3.500 1.00 0.00 C ATOM 766 C PHE A 49 8.327 -2.545 3.509 1.00 0.00 C ATOM 767 O PHE A 49 9.365 -2.206 2.977 1.00 0.00 O ATOM 768 CB PHE A 49 6.090 -2.154 2.487 1.00 0.00 C ATOM 769 CG PHE A 49 6.721 -2.253 1.118 1.00 0.00 C ATOM 770 CD1 PHE A 49 7.373 -3.430 0.726 1.00 0.00 C ATOM 771 CD2 PHE A 49 6.640 -1.172 0.234 1.00 0.00 C ATOM 772 CE1 PHE A 49 7.944 -3.522 -0.550 1.00 0.00 C ATOM 773 CE2 PHE A 49 7.207 -1.265 -1.042 1.00 0.00 C ATOM 774 CZ PHE A 49 7.859 -2.440 -1.435 1.00 0.00 C ATOM 0 H PHE A 49 8.370 -0.199 2.550 1.00 0.00 H new ATOM 0 HA PHE A 49 6.649 -1.615 4.488 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.724 -3.132 2.799 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.228 -1.488 2.451 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.435 -4.266 1.407 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.139 -0.264 0.537 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.450 -4.427 -0.851 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.142 -0.430 -1.724 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.296 -2.512 -2.420 1.00 0.00 H new ATOM 784 N ASP A 50 8.217 -3.699 4.113 1.00 0.00 N ATOM 785 CA ASP A 50 9.377 -4.636 4.161 1.00 0.00 C ATOM 786 C ASP A 50 9.189 -5.747 3.112 1.00 0.00 C ATOM 787 O ASP A 50 8.072 -6.085 2.771 1.00 0.00 O ATOM 788 CB ASP A 50 9.450 -5.267 5.549 1.00 0.00 C ATOM 789 CG ASP A 50 9.842 -4.195 6.566 1.00 0.00 C ATOM 790 OD1 ASP A 50 9.105 -3.230 6.692 1.00 0.00 O ATOM 791 OD2 ASP A 50 10.875 -4.353 7.194 1.00 0.00 O ATOM 0 H ASP A 50 7.372 -4.033 4.576 1.00 0.00 H new ATOM 0 HA ASP A 50 10.296 -4.089 3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.487 -5.703 5.815 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.180 -6.077 5.556 1.00 0.00 H new ATOM 796 N PRO A 51 10.262 -6.331 2.614 1.00 0.00 N ATOM 797 CA PRO A 51 10.168 -7.434 1.606 1.00 0.00 C ATOM 798 C PRO A 51 9.235 -8.569 2.049 1.00 0.00 C ATOM 799 O PRO A 51 9.230 -8.977 3.192 1.00 0.00 O ATOM 800 CB PRO A 51 11.611 -7.956 1.495 1.00 0.00 C ATOM 801 CG PRO A 51 12.475 -6.810 1.903 1.00 0.00 C ATOM 802 CD PRO A 51 11.670 -6.002 2.927 1.00 0.00 C ATOM 0 HA PRO A 51 9.753 -7.072 0.665 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.769 -8.818 2.143 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.837 -8.276 0.478 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.410 -7.164 2.337 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.736 -6.195 1.042 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.928 -6.282 3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.861 -4.933 2.832 1.00 0.00 H new ATOM 810 N THR A 52 8.457 -9.085 1.135 1.00 0.00 N ATOM 811 CA THR A 52 7.528 -10.200 1.472 1.00 0.00 C ATOM 812 C THR A 52 7.259 -11.022 0.203 1.00 0.00 C ATOM 813 O THR A 52 6.313 -10.762 -0.515 1.00 0.00 O ATOM 814 CB THR A 52 6.206 -9.623 1.996 1.00 0.00 C ATOM 815 OG1 THR A 52 6.486 -8.539 2.869 1.00 0.00 O ATOM 816 CG2 THR A 52 5.428 -10.708 2.757 1.00 0.00 C ATOM 0 H THR A 52 8.426 -8.779 0.163 1.00 0.00 H new ATOM 0 HA THR A 52 7.973 -10.835 2.238 1.00 0.00 H new ATOM 0 HB THR A 52 5.603 -9.275 1.157 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.027 -8.857 3.622 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.491 -10.292 3.126 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.216 -11.541 2.087 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.025 -11.061 3.598 1.00 0.00 H new ATOM 824 N PRO A 53 8.080 -12.003 -0.079 1.00 0.00 N ATOM 825 CA PRO A 53 7.910 -12.862 -1.292 1.00 0.00 C ATOM 826 C PRO A 53 6.504 -13.464 -1.362 1.00 0.00 C ATOM 827 O PRO A 53 5.870 -13.483 -2.397 1.00 0.00 O ATOM 828 CB PRO A 53 8.967 -13.964 -1.096 1.00 0.00 C ATOM 829 CG PRO A 53 10.008 -13.341 -0.224 1.00 0.00 C ATOM 830 CD PRO A 53 9.255 -12.404 0.714 1.00 0.00 C ATOM 0 HA PRO A 53 8.033 -12.305 -2.221 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.535 -14.848 -0.627 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.388 -14.283 -2.049 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.554 -14.100 0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.740 -12.794 -0.818 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.965 -12.906 1.637 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.862 -11.544 0.996 1.00 0.00 H new ATOM 838 N THR A 54 6.022 -13.932 -0.246 1.00 0.00 N ATOM 839 CA THR A 54 4.658 -14.535 -0.168 1.00 0.00 C ATOM 840 C THR A 54 4.500 -15.650 -1.222 1.00 0.00 C ATOM 841 O THR A 54 5.231 -15.709 -2.191 1.00 0.00 O ATOM 842 CB THR A 54 3.586 -13.438 -0.394 1.00 0.00 C ATOM 843 OG1 THR A 54 4.181 -12.334 -1.058 1.00 0.00 O ATOM 844 CG2 THR A 54 3.005 -12.974 0.947 1.00 0.00 C ATOM 0 H THR A 54 6.528 -13.922 0.640 1.00 0.00 H new ATOM 0 HA THR A 54 4.524 -14.971 0.822 1.00 0.00 H new ATOM 0 HB THR A 54 2.780 -13.849 -1.002 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.401 -12.586 -1.979 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.254 -12.204 0.771 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.544 -13.820 1.456 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.803 -12.567 1.568 1.00 0.00 H new ATOM 852 N PRO A 55 3.529 -16.523 -1.042 1.00 0.00 N ATOM 853 CA PRO A 55 3.263 -17.634 -2.008 1.00 0.00 C ATOM 854 C PRO A 55 3.094 -17.120 -3.445 1.00 0.00 C ATOM 855 O PRO A 55 3.573 -17.717 -4.388 1.00 0.00 O ATOM 856 CB PRO A 55 1.945 -18.254 -1.504 1.00 0.00 C ATOM 857 CG PRO A 55 1.874 -17.903 -0.053 1.00 0.00 C ATOM 858 CD PRO A 55 2.589 -16.559 0.099 1.00 0.00 C ATOM 0 HA PRO A 55 4.090 -18.343 -2.047 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.089 -17.854 -2.048 1.00 0.00 H new ATOM 0 HB3 PRO A 55 1.938 -19.334 -1.648 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.838 -17.832 0.280 1.00 0.00 H new ATOM 0 HG3 PRO A 55 2.353 -18.669 0.556 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.886 -15.727 0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.115 -16.492 1.052 1.00 0.00 H new ATOM 866 N LYS A 56 2.404 -16.025 -3.616 1.00 0.00 N ATOM 867 CA LYS A 56 2.191 -15.480 -4.984 1.00 0.00 C ATOM 868 C LYS A 56 3.534 -15.075 -5.594 1.00 0.00 C ATOM 869 O LYS A 56 3.802 -15.343 -6.747 1.00 0.00 O ATOM 870 CB LYS A 56 1.273 -14.258 -4.906 1.00 0.00 C ATOM 871 CG LYS A 56 -0.136 -14.706 -4.505 1.00 0.00 C ATOM 872 CD LYS A 56 -1.056 -13.488 -4.404 1.00 0.00 C ATOM 873 CE LYS A 56 -2.459 -13.945 -4.000 1.00 0.00 C ATOM 874 NZ LYS A 56 -3.353 -12.761 -3.870 1.00 0.00 N ATOM 0 H LYS A 56 1.978 -15.484 -2.864 1.00 0.00 H new ATOM 0 HA LYS A 56 1.729 -16.244 -5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.660 -13.544 -4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.244 -13.749 -5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.527 -15.409 -5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.103 -15.229 -3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.665 -12.783 -3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.093 -12.965 -5.360 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.857 -14.633 -4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.418 -14.487 -3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.306 -13.074 -3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.976 -12.120 -3.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.402 -12.261 -4.781 1.00 0.00 H new ATOM 888 N GLY A 57 4.384 -14.435 -4.826 1.00 0.00 N ATOM 889 CA GLY A 57 5.720 -14.011 -5.349 1.00 0.00 C ATOM 890 C GLY A 57 5.994 -12.563 -4.943 1.00 0.00 C ATOM 891 O GLY A 57 6.924 -12.287 -4.216 1.00 0.00 O ATOM 0 H GLY A 57 4.207 -14.187 -3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.500 -14.663 -4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.743 -14.105 -6.435 1.00 0.00 H new ATOM 895 N LEU A 58 5.199 -11.632 -5.417 1.00 0.00 N ATOM 896 CA LEU A 58 5.418 -10.192 -5.068 1.00 0.00 C ATOM 897 C LEU A 58 4.305 -9.702 -4.141 1.00 0.00 C ATOM 898 O LEU A 58 3.135 -9.801 -4.453 1.00 0.00 O ATOM 899 CB LEU A 58 5.409 -9.360 -6.353 1.00 0.00 C ATOM 900 CG LEU A 58 6.477 -9.888 -7.321 1.00 0.00 C ATOM 901 CD1 LEU A 58 6.454 -9.053 -8.606 1.00 0.00 C ATOM 902 CD2 LEU A 58 7.870 -9.804 -6.672 1.00 0.00 C ATOM 0 H LEU A 58 4.405 -11.809 -6.033 1.00 0.00 H new ATOM 0 HA LEU A 58 6.377 -10.086 -4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.426 -9.407 -6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.602 -8.313 -6.120 1.00 0.00 H new ATOM 0 HG LEU A 58 6.262 -10.930 -7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.211 -9.426 -9.296 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.471 -9.128 -9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.663 -8.010 -8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.619 -10.181 -7.368 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.094 -8.766 -6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.885 -10.405 -5.763 1.00 0.00 H new ATOM 914 N ALA A 59 4.661 -9.154 -3.009 1.00 0.00 N ATOM 915 CA ALA A 59 3.628 -8.637 -2.072 1.00 0.00 C ATOM 916 C ALA A 59 4.266 -7.614 -1.134 1.00 0.00 C ATOM 917 O ALA A 59 5.443 -7.682 -0.840 1.00 0.00 O ATOM 918 CB ALA A 59 3.048 -9.792 -1.255 1.00 0.00 C ATOM 0 H ALA A 59 5.625 -9.043 -2.695 1.00 0.00 H new ATOM 0 HA ALA A 59 2.827 -8.163 -2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.292 -9.409 -0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.594 -10.521 -1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.845 -10.271 -0.685 1.00 0.00 H new ATOM 924 N ALA A 60 3.496 -6.666 -0.661 1.00 0.00 N ATOM 925 CA ALA A 60 4.040 -5.624 0.262 1.00 0.00 C ATOM 926 C ALA A 60 3.479 -5.860 1.662 1.00 0.00 C ATOM 927 O ALA A 60 2.282 -5.827 1.867 1.00 0.00 O ATOM 928 CB ALA A 60 3.602 -4.247 -0.232 1.00 0.00 C ATOM 0 H ALA A 60 2.504 -6.569 -0.877 1.00 0.00 H new ATOM 0 HA ALA A 60 5.128 -5.677 0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.994 -3.479 0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.985 -4.083 -1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.513 -4.195 -0.245 1.00 0.00 H new ATOM 934 N LYS A 61 4.335 -6.103 2.627 1.00 0.00 N ATOM 935 CA LYS A 61 3.865 -6.354 4.028 1.00 0.00 C ATOM 936 C LYS A 61 4.368 -5.248 4.956 1.00 0.00 C ATOM 937 O LYS A 61 5.431 -4.696 4.760 1.00 0.00 O ATOM 938 CB LYS A 61 4.409 -7.701 4.507 1.00 0.00 C ATOM 939 CG LYS A 61 3.631 -8.162 5.745 1.00 0.00 C ATOM 940 CD LYS A 61 4.058 -9.582 6.131 1.00 0.00 C ATOM 941 CE LYS A 61 5.506 -9.581 6.637 1.00 0.00 C ATOM 942 NZ LYS A 61 5.765 -10.841 7.388 1.00 0.00 N ATOM 0 H LYS A 61 5.347 -6.138 2.503 1.00 0.00 H new ATOM 0 HA LYS A 61 2.775 -6.365 4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.321 -8.443 3.713 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.469 -7.612 4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.814 -7.480 6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.560 -8.137 5.542 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.395 -9.971 6.904 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.967 -10.244 5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.197 -9.495 5.798 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.678 -8.718 7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.746 -10.844 7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.114 -10.903 8.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.616 -11.656 6.760 1.00 0.00 H new ATOM 956 N ALA A 62 3.603 -4.927 5.963 1.00 0.00 N ATOM 957 CA ALA A 62 4.010 -3.861 6.921 1.00 0.00 C ATOM 958 C ALA A 62 4.028 -2.512 6.203 1.00 0.00 C ATOM 959 O ALA A 62 4.975 -1.760 6.295 1.00 0.00 O ATOM 960 CB ALA A 62 5.398 -4.175 7.496 1.00 0.00 C ATOM 0 H ALA A 62 2.703 -5.363 6.165 1.00 0.00 H new ATOM 0 HA ALA A 62 3.295 -3.819 7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.688 -3.391 8.195 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.368 -5.132 8.016 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.125 -4.225 6.685 1.00 0.00 H new ATOM 966 N ILE A 63 2.977 -2.200 5.491 1.00 0.00 N ATOM 967 CA ILE A 63 2.919 -0.901 4.764 1.00 0.00 C ATOM 968 C ILE A 63 2.749 0.238 5.767 1.00 0.00 C ATOM 969 O ILE A 63 1.964 0.149 6.690 1.00 0.00 O ATOM 970 CB ILE A 63 1.731 -0.915 3.802 1.00 0.00 C ATOM 971 CG1 ILE A 63 1.971 -1.979 2.730 1.00 0.00 C ATOM 972 CG2 ILE A 63 1.589 0.459 3.143 1.00 0.00 C ATOM 973 CD1 ILE A 63 0.685 -2.215 1.938 1.00 0.00 C ATOM 0 H ILE A 63 2.154 -2.793 5.382 1.00 0.00 H new ATOM 0 HA ILE A 63 3.842 -0.754 4.204 1.00 0.00 H new ATOM 0 HB ILE A 63 0.816 -1.145 4.348 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.769 -1.659 2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.299 -2.909 3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.742 0.448 2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.425 1.215 3.910 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.499 0.694 2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.861 -2.974 1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.101 -2.554 2.613 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.376 -1.285 1.460 1.00 0.00 H new ATOM 985 N SER A 64 3.486 1.311 5.592 1.00 0.00 N ATOM 986 CA SER A 64 3.386 2.472 6.529 1.00 0.00 C ATOM 987 C SER A 64 3.127 3.745 5.728 1.00 0.00 C ATOM 988 O SER A 64 3.547 3.870 4.589 1.00 0.00 O ATOM 989 CB SER A 64 4.698 2.616 7.294 1.00 0.00 C ATOM 990 OG SER A 64 4.832 1.529 8.199 1.00 0.00 O ATOM 0 H SER A 64 4.157 1.431 4.833 1.00 0.00 H new ATOM 0 HA SER A 64 2.568 2.308 7.231 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.538 2.632 6.600 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.715 3.561 7.837 1.00 0.00 H new ATOM 0 HG SER A 64 5.674 1.616 8.692 1.00 0.00 H new ATOM 996 N LEU A 65 2.431 4.685 6.320 1.00 0.00 N ATOM 997 CA LEU A 65 2.111 5.968 5.625 1.00 0.00 C ATOM 998 C LEU A 65 2.886 7.116 6.308 1.00 0.00 C ATOM 999 O LEU A 65 2.456 7.630 7.322 1.00 0.00 O ATOM 1000 CB LEU A 65 0.597 6.233 5.729 1.00 0.00 C ATOM 1001 CG LEU A 65 0.039 5.655 7.050 1.00 0.00 C ATOM 1002 CD1 LEU A 65 -1.152 6.499 7.520 1.00 0.00 C ATOM 1003 CD2 LEU A 65 -0.433 4.206 6.840 1.00 0.00 C ATOM 0 H LEU A 65 2.066 4.615 7.270 1.00 0.00 H new ATOM 0 HA LEU A 65 2.398 5.907 4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.405 7.305 5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.083 5.781 4.881 1.00 0.00 H new ATOM 0 HG LEU A 65 0.830 5.674 7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.543 6.089 8.451 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.828 7.527 7.684 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.933 6.482 6.760 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.824 3.811 7.778 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.217 4.185 6.083 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.407 3.594 6.510 1.00 0.00 H new ATOM 1015 N PRO A 66 4.021 7.508 5.772 1.00 0.00 N ATOM 1016 CA PRO A 66 4.850 8.600 6.356 1.00 0.00 C ATOM 1017 C PRO A 66 4.385 9.992 5.910 1.00 0.00 C ATOM 1018 O PRO A 66 5.017 10.987 6.203 1.00 0.00 O ATOM 1019 CB PRO A 66 6.248 8.289 5.818 1.00 0.00 C ATOM 1020 CG PRO A 66 6.003 7.683 4.470 1.00 0.00 C ATOM 1021 CD PRO A 66 4.648 6.961 4.554 1.00 0.00 C ATOM 0 HA PRO A 66 4.793 8.630 7.444 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.855 9.191 5.743 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.781 7.600 6.473 1.00 0.00 H new ATOM 0 HG2 PRO A 66 5.986 8.451 3.697 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.798 6.985 4.208 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.038 7.154 3.671 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.776 5.881 4.623 1.00 0.00 H new ATOM 1029 N LEU A 67 3.290 10.075 5.201 1.00 0.00 N ATOM 1030 CA LEU A 67 2.804 11.410 4.744 1.00 0.00 C ATOM 1031 C LEU A 67 2.035 12.077 5.889 1.00 0.00 C ATOM 1032 O LEU A 67 1.544 13.179 5.760 1.00 0.00 O ATOM 1033 CB LEU A 67 1.881 11.236 3.523 1.00 0.00 C ATOM 1034 CG LEU A 67 1.808 12.551 2.719 1.00 0.00 C ATOM 1035 CD1 LEU A 67 3.110 12.776 1.922 1.00 0.00 C ATOM 1036 CD2 LEU A 67 0.615 12.487 1.751 1.00 0.00 C ATOM 0 H LEU A 67 2.714 9.281 4.920 1.00 0.00 H new ATOM 0 HA LEU A 67 3.651 12.035 4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.254 10.433 2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.883 10.946 3.851 1.00 0.00 H new ATOM 0 HG LEU A 67 1.680 13.382 3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.037 13.708 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.953 12.831 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.260 11.948 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.559 13.414 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.745 11.648 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.307 12.354 2.318 1.00 0.00 H new ATOM 1048 N GLU A 68 1.924 11.409 7.007 1.00 0.00 N ATOM 1049 CA GLU A 68 1.185 11.994 8.161 1.00 0.00 C ATOM 1050 C GLU A 68 1.802 13.334 8.558 1.00 0.00 C ATOM 1051 O GLU A 68 3.004 13.508 8.530 1.00 0.00 O ATOM 1052 CB GLU A 68 1.253 11.032 9.348 1.00 0.00 C ATOM 1053 CG GLU A 68 0.420 9.790 9.036 1.00 0.00 C ATOM 1054 CD GLU A 68 0.534 8.790 10.187 1.00 0.00 C ATOM 1055 OE1 GLU A 68 1.220 9.098 11.148 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -0.067 7.733 10.086 1.00 0.00 O ATOM 0 H GLU A 68 2.315 10.481 7.170 1.00 0.00 H new ATOM 0 HA GLU A 68 0.146 12.153 7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.288 10.751 9.545 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.878 11.519 10.248 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.623 10.068 8.885 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.765 9.333 8.109 1.00 0.00 H new ATOM 1063 N HIS A 69 0.979 14.284 8.933 1.00 0.00 N ATOM 1064 CA HIS A 69 1.490 15.627 9.340 1.00 0.00 C ATOM 1065 C HIS A 69 1.343 15.792 10.858 1.00 0.00 C ATOM 1066 O HIS A 69 0.250 15.825 11.387 1.00 0.00 O ATOM 1067 CB HIS A 69 0.673 16.706 8.623 1.00 0.00 C ATOM 1068 CG HIS A 69 0.872 16.578 7.137 1.00 0.00 C ATOM 1069 ND1 HIS A 69 2.041 16.980 6.509 1.00 0.00 N ATOM 1070 CD2 HIS A 69 0.061 16.093 6.140 1.00 0.00 C ATOM 1071 CE1 HIS A 69 1.901 16.735 5.193 1.00 0.00 C ATOM 1072 NE2 HIS A 69 0.712 16.194 4.914 1.00 0.00 N ATOM 0 H HIS A 69 -0.035 14.183 8.974 1.00 0.00 H new ATOM 0 HA HIS A 69 2.542 15.721 9.070 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -0.384 16.602 8.870 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.983 17.696 8.959 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.932 15.694 6.286 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.658 16.950 4.453 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.357 15.915 3.999 1.00 0.00 H new ATOM 1080 N HIS A 70 2.444 15.901 11.552 1.00 0.00 N ATOM 1081 CA HIS A 70 2.404 16.073 13.038 1.00 0.00 C ATOM 1082 C HIS A 70 1.556 14.979 13.690 1.00 0.00 C ATOM 1083 O HIS A 70 0.851 14.241 13.030 1.00 0.00 O ATOM 1084 CB HIS A 70 1.813 17.438 13.381 1.00 0.00 C ATOM 1085 CG HIS A 70 2.703 18.519 12.836 1.00 0.00 C ATOM 1086 ND1 HIS A 70 2.326 19.851 12.821 1.00 0.00 N ATOM 1087 CD2 HIS A 70 3.959 18.478 12.281 1.00 0.00 C ATOM 1088 CE1 HIS A 70 3.334 20.552 12.273 1.00 0.00 C ATOM 1089 NE2 HIS A 70 4.354 19.763 11.926 1.00 0.00 N ATOM 0 H HIS A 70 3.381 15.878 11.150 1.00 0.00 H new ATOM 0 HA HIS A 70 3.423 16.001 13.419 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.812 17.529 12.960 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.715 17.543 14.461 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.549 17.584 12.142 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.320 21.623 12.131 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.234 20.043 11.493 1.00 0.00 H new ATOM 1097 N HIS A 71 1.628 14.873 14.991 1.00 0.00 N ATOM 1098 CA HIS A 71 0.839 13.836 15.712 1.00 0.00 C ATOM 1099 C HIS A 71 -0.650 14.158 15.600 1.00 0.00 C ATOM 1100 O HIS A 71 -1.465 13.293 15.346 1.00 0.00 O ATOM 1101 CB HIS A 71 1.247 13.828 17.188 1.00 0.00 C ATOM 1102 CG HIS A 71 1.303 15.241 17.707 1.00 0.00 C ATOM 1103 ND1 HIS A 71 0.257 15.811 18.417 1.00 0.00 N ATOM 1104 CD2 HIS A 71 2.274 16.209 17.633 1.00 0.00 C ATOM 1105 CE1 HIS A 71 0.621 17.065 18.740 1.00 0.00 C ATOM 1106 NE2 HIS A 71 1.843 17.359 18.285 1.00 0.00 N ATOM 0 H HIS A 71 2.205 15.466 15.588 1.00 0.00 H new ATOM 0 HA HIS A 71 1.033 12.858 15.271 1.00 0.00 H new ATOM 0 HB2 HIS A 71 0.533 13.245 17.769 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.219 13.349 17.304 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.229 16.094 17.142 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.001 17.751 19.299 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.350 18.237 18.393 1.00 0.00 H new ATOM 1114 N HIS A 72 -1.009 15.402 15.791 1.00 0.00 N ATOM 1115 CA HIS A 72 -2.444 15.805 15.706 1.00 0.00 C ATOM 1116 C HIS A 72 -2.559 17.151 14.983 1.00 0.00 C ATOM 1117 O HIS A 72 -2.352 17.244 13.790 1.00 0.00 O ATOM 1118 CB HIS A 72 -3.015 15.944 17.119 1.00 0.00 C ATOM 1119 CG HIS A 72 -4.432 16.438 17.032 1.00 0.00 C ATOM 1120 ND1 HIS A 72 -5.460 15.648 16.544 1.00 0.00 N ATOM 1121 CD2 HIS A 72 -5.005 17.644 17.352 1.00 0.00 C ATOM 1122 CE1 HIS A 72 -6.588 16.381 16.583 1.00 0.00 C ATOM 1123 NE2 HIS A 72 -6.367 17.605 17.067 1.00 0.00 N ATOM 0 H HIS A 72 -0.363 16.162 16.004 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.000 15.047 15.155 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.983 14.984 17.633 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.410 16.638 17.702 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -4.479 18.493 17.762 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -7.555 16.022 16.262 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -7.049 18.351 17.200 1.00 0.00 H new ATOM 1131 N HIS A 73 -2.895 18.190 15.704 1.00 0.00 N ATOM 1132 CA HIS A 73 -3.039 19.538 15.083 1.00 0.00 C ATOM 1133 C HIS A 73 -3.787 19.424 13.752 1.00 0.00 C ATOM 1134 O HIS A 73 -3.191 19.288 12.705 1.00 0.00 O ATOM 1135 CB HIS A 73 -1.657 20.151 14.854 1.00 0.00 C ATOM 1136 CG HIS A 73 -0.986 20.383 16.180 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -1.473 21.294 17.104 1.00 0.00 N ATOM 1138 CD2 HIS A 73 0.135 19.832 16.754 1.00 0.00 C ATOM 1139 CE1 HIS A 73 -0.657 21.264 18.174 1.00 0.00 C ATOM 1140 NE2 HIS A 73 0.340 20.391 18.013 1.00 0.00 N ATOM 0 H HIS A 73 -3.077 18.160 16.707 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.609 20.181 15.754 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.050 19.487 14.238 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.750 21.092 14.312 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.762 19.080 16.298 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.792 21.872 19.056 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.090 20.179 18.671 1.00 0.00 H new ATOM 1148 N HIS A 74 -5.092 19.481 13.791 1.00 0.00 N ATOM 1149 CA HIS A 74 -5.885 19.380 12.535 1.00 0.00 C ATOM 1150 C HIS A 74 -7.273 19.977 12.772 1.00 0.00 C ATOM 1151 O HIS A 74 -8.235 19.234 12.693 1.00 0.00 O ATOM 1152 CB HIS A 74 -6.027 17.912 12.134 1.00 0.00 C ATOM 1153 CG HIS A 74 -6.854 17.812 10.880 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -6.333 18.092 9.626 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -8.165 17.462 10.670 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -7.317 17.909 8.728 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -8.455 17.524 9.311 1.00 0.00 N ATOM 1158 OXT HIS A 74 -7.347 21.168 13.033 1.00 0.00 O ATOM 0 H HIS A 74 -5.643 19.594 14.642 1.00 0.00 H new ATOM 0 HA HIS A 74 -5.378 19.924 11.738 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -5.043 17.472 11.970 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.498 17.348 12.939 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.865 17.181 11.443 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -7.201 18.056 7.664 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -9.345 17.319 8.857 1.00 0.00 H new TER 1166 HIS A 74