USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 700 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 203 SEP H2 : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 203 SEP H : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 205 SEP H2 : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD NoAdj-H: B 205 SEP H : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD Set 1.1: A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: B 199 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 19:sc= 1.24 USER MOD Single : A 23 LYS NZ :NH3+ -142:sc= 1.25 (180deg=-2.43) USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 1.27 (180deg=1.17) USER MOD Single : A 29 GLN : amide:sc= -0.0771 X(o=-0.077,f=-0.21) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -120:sc= 1.14 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 138:sc= 0.46 (180deg=-0.364!) USER MOD Single : A 40 MET CE :methyl 175:sc= 0 (180deg=-0.0453) USER MOD Single : A 41 THR OG1 : rot 59:sc= 0.573 USER MOD Single : A 42 THR OG1 : rot 10:sc= 0.442 USER MOD Single : A 43 HIS : no HE2:sc= -3.51! K(o=-3.5!,f=-2.6) USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.16) USER MOD Single : A 46 LYS NZ :NH3+ -153:sc= 1.11 (180deg=0.846) USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= 2.35 (180deg=1.88) USER MOD Single : A 50 SER OG : rot 73:sc= 1.25 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0579 USER MOD Single : A 52 CYS SG : rot 80:sc= 1.24 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 55 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.38) USER MOD Single : A 59 MET CE :methyl 155:sc= 0 (180deg=-0.41) USER MOD Single : A 60 ASN : amide:sc= -0.145 K(o=-0.14,f=-1.6!) USER MOD Single : A 61 SER OG : rot -113:sc= 0.863 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 74 ASN : amide:sc= 0.00242 X(o=0.0024,f=-0.38) USER MOD Single : A 75 HIS : no HD1:sc= -0.308 K(o=-0.31,f=-7!) USER MOD Single : A 76 THR OG1 : rot -53:sc= 0.962 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.117 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 13.029 -6.761 -1.100 1.00 10.00 N ATOM 2 CA TYR A 21 11.792 -5.995 -1.021 1.00 10.00 C ATOM 3 C TYR A 21 11.022 -6.348 0.247 1.00 10.00 C ATOM 4 O TYR A 21 11.183 -7.439 0.799 1.00 10.00 O ATOM 5 CB TYR A 21 10.904 -6.265 -2.241 1.00 10.00 C ATOM 6 CG TYR A 21 11.418 -5.673 -3.534 1.00 10.00 C ATOM 7 CD1 TYR A 21 10.840 -4.531 -4.072 1.00 10.00 C ATOM 8 CD2 TYR A 21 12.469 -6.262 -4.222 1.00 10.00 C ATOM 9 CE1 TYR A 21 11.297 -3.994 -5.259 1.00 10.00 C ATOM 10 CE2 TYR A 21 12.933 -5.730 -5.407 1.00 10.00 C ATOM 11 CZ TYR A 21 12.344 -4.597 -5.923 1.00 10.00 C ATOM 12 OH TYR A 21 12.801 -4.072 -7.107 1.00 10.00 O ATOM 0 HA TYR A 21 12.058 -4.938 -1.000 1.00 10.00 H new ATOM 0 HB2 TYR A 21 10.798 -7.343 -2.366 1.00 10.00 H new ATOM 0 HB3 TYR A 21 9.908 -5.868 -2.045 1.00 10.00 H new ATOM 0 HD1 TYR A 21 10.020 -4.055 -3.554 1.00 10.00 H new ATOM 0 HD2 TYR A 21 12.932 -7.152 -3.823 1.00 10.00 H new ATOM 0 HE1 TYR A 21 10.836 -3.106 -5.665 1.00 10.00 H new ATOM 0 HE2 TYR A 21 13.754 -6.200 -5.928 1.00 10.00 H new ATOM 0 HH TYR A 21 12.506 -3.141 -7.188 1.00 10.00 H new ATOM 22 N ILE A 22 10.198 -5.420 0.701 1.00 10.00 N ATOM 23 CA ILE A 22 9.381 -5.624 1.883 1.00 10.00 C ATOM 24 C ILE A 22 8.000 -6.096 1.456 1.00 10.00 C ATOM 25 O ILE A 22 7.281 -5.377 0.764 1.00 10.00 O ATOM 26 CB ILE A 22 9.248 -4.326 2.713 1.00 10.00 C ATOM 27 CG1 ILE A 22 10.632 -3.749 3.039 1.00 10.00 C ATOM 28 CG2 ILE A 22 8.455 -4.581 3.989 1.00 10.00 C ATOM 29 CD1 ILE A 22 11.495 -4.665 3.881 1.00 10.00 C ATOM 0 H ILE A 22 10.077 -4.507 0.262 1.00 10.00 H new ATOM 0 HA ILE A 22 9.864 -6.374 2.509 1.00 10.00 H new ATOM 0 HB ILE A 22 8.705 -3.593 2.117 1.00 10.00 H new ATOM 0 HG12 ILE A 22 11.153 -3.531 2.107 1.00 10.00 H new ATOM 0 HG13 ILE A 22 10.506 -2.802 3.563 1.00 10.00 H new ATOM 0 HG21 ILE A 22 8.373 -3.655 4.558 1.00 10.00 H new ATOM 0 HG22 ILE A 22 7.458 -4.938 3.732 1.00 10.00 H new ATOM 0 HG23 ILE A 22 8.966 -5.333 4.591 1.00 10.00 H new ATOM 0 HD11 ILE A 22 12.457 -4.188 4.069 1.00 10.00 H new ATOM 0 HD12 ILE A 22 10.997 -4.864 4.830 1.00 10.00 H new ATOM 0 HD13 ILE A 22 11.654 -5.604 3.351 1.00 10.00 H new ATOM 41 N LYS A 23 7.641 -7.306 1.845 1.00 10.00 N ATOM 42 CA LYS A 23 6.354 -7.869 1.472 1.00 10.00 C ATOM 43 C LYS A 23 5.282 -7.521 2.496 1.00 10.00 C ATOM 44 O LYS A 23 5.324 -7.979 3.641 1.00 10.00 O ATOM 45 CB LYS A 23 6.476 -9.383 1.319 1.00 10.00 C ATOM 46 CG LYS A 23 5.300 -10.037 0.615 1.00 10.00 C ATOM 47 CD LYS A 23 5.657 -11.433 0.126 1.00 10.00 C ATOM 48 CE LYS A 23 5.355 -12.503 1.167 1.00 10.00 C ATOM 49 NZ LYS A 23 6.182 -12.366 2.399 1.00 10.00 N ATOM 0 H LYS A 23 8.221 -7.918 2.419 1.00 10.00 H new ATOM 0 HA LYS A 23 6.053 -7.436 0.518 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.387 -9.608 0.765 1.00 10.00 H new ATOM 0 HB3 LYS A 23 6.586 -9.829 2.308 1.00 10.00 H new ATOM 0 HG2 LYS A 23 4.451 -10.094 1.296 1.00 10.00 H new ATOM 0 HG3 LYS A 23 4.990 -9.421 -0.230 1.00 10.00 H new ATOM 0 HD2 LYS A 23 5.101 -11.649 -0.786 1.00 10.00 H new ATOM 0 HD3 LYS A 23 6.716 -11.466 -0.130 1.00 10.00 H new ATOM 0 HE2 LYS A 23 4.300 -12.452 1.437 1.00 10.00 H new ATOM 0 HE3 LYS A 23 5.525 -13.487 0.729 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 6.449 -13.310 2.745 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 7.041 -11.822 2.182 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 5.634 -11.871 3.131 1.00 10.00 H new ATOM 63 N LEU A 24 4.333 -6.698 2.074 1.00 10.00 N ATOM 64 CA LEU A 24 3.236 -6.278 2.926 1.00 10.00 C ATOM 65 C LEU A 24 1.973 -7.054 2.565 1.00 10.00 C ATOM 66 O LEU A 24 1.746 -7.378 1.396 1.00 10.00 O ATOM 67 CB LEU A 24 2.995 -4.775 2.772 1.00 10.00 C ATOM 68 CG LEU A 24 4.197 -3.892 3.114 1.00 10.00 C ATOM 69 CD1 LEU A 24 4.004 -2.492 2.556 1.00 10.00 C ATOM 70 CD2 LEU A 24 4.408 -3.843 4.621 1.00 10.00 C ATOM 0 H LEU A 24 4.304 -6.305 1.133 1.00 10.00 H new ATOM 0 HA LEU A 24 3.494 -6.485 3.965 1.00 10.00 H new ATOM 0 HB2 LEU A 24 2.695 -4.573 1.744 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.159 -4.489 3.410 1.00 10.00 H new ATOM 0 HG LEU A 24 5.086 -4.325 2.655 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.868 -1.877 2.808 1.00 10.00 H new ATOM 0 HD12 LEU A 24 3.899 -2.543 1.472 1.00 10.00 H new ATOM 0 HD13 LEU A 24 3.106 -2.049 2.986 1.00 10.00 H new ATOM 0 HD21 LEU A 24 5.267 -3.211 4.848 1.00 10.00 H new ATOM 0 HD22 LEU A 24 3.519 -3.433 5.100 1.00 10.00 H new ATOM 0 HD23 LEU A 24 4.590 -4.850 4.996 1.00 10.00 H new ATOM 82 N LYS A 25 1.163 -7.349 3.565 1.00 10.00 N ATOM 83 CA LYS A 25 -0.063 -8.099 3.358 1.00 10.00 C ATOM 84 C LYS A 25 -1.267 -7.177 3.230 1.00 10.00 C ATOM 85 O LYS A 25 -1.714 -6.578 4.211 1.00 10.00 O ATOM 86 CB LYS A 25 -0.289 -9.073 4.514 1.00 10.00 C ATOM 87 CG LYS A 25 0.851 -10.059 4.714 1.00 10.00 C ATOM 88 CD LYS A 25 0.417 -11.249 5.553 1.00 10.00 C ATOM 89 CE LYS A 25 -0.576 -12.126 4.804 1.00 10.00 C ATOM 90 NZ LYS A 25 -1.000 -13.298 5.610 1.00 10.00 N ATOM 0 H LYS A 25 1.333 -7.079 4.534 1.00 10.00 H new ATOM 0 HA LYS A 25 0.045 -8.654 2.426 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -0.432 -8.505 5.433 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -1.210 -9.628 4.335 1.00 10.00 H new ATOM 0 HG2 LYS A 25 1.207 -10.407 3.744 1.00 10.00 H new ATOM 0 HG3 LYS A 25 1.688 -9.556 5.199 1.00 10.00 H new ATOM 0 HD2 LYS A 25 1.291 -11.840 5.828 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -0.034 -10.897 6.480 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -1.451 -11.535 4.535 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -0.126 -12.470 3.873 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -1.750 -13.813 5.106 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -0.187 -13.929 5.759 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -1.360 -12.974 6.530 1.00 10.00 H new ATOM 104 N VAL A 26 -1.775 -7.051 2.016 1.00 10.00 N ATOM 105 CA VAL A 26 -2.941 -6.225 1.761 1.00 10.00 C ATOM 106 C VAL A 26 -4.182 -7.104 1.761 1.00 10.00 C ATOM 107 O VAL A 26 -4.407 -7.872 0.825 1.00 10.00 O ATOM 108 CB VAL A 26 -2.838 -5.482 0.414 1.00 10.00 C ATOM 109 CG1 VAL A 26 -3.992 -4.503 0.250 1.00 10.00 C ATOM 110 CG2 VAL A 26 -1.504 -4.765 0.297 1.00 10.00 C ATOM 0 H VAL A 26 -1.396 -7.512 1.189 1.00 10.00 H new ATOM 0 HA VAL A 26 -3.002 -5.474 2.549 1.00 10.00 H new ATOM 0 HB VAL A 26 -2.900 -6.218 -0.387 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -3.900 -3.989 -0.707 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -4.937 -5.046 0.281 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -3.967 -3.772 1.058 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.452 -4.247 -0.661 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.408 -4.041 1.106 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -0.694 -5.491 0.361 1.00 10.00 H new ATOM 120 N ILE A 27 -4.968 -7.007 2.819 1.00 10.00 N ATOM 121 CA ILE A 27 -6.170 -7.810 2.950 1.00 10.00 C ATOM 122 C ILE A 27 -7.401 -7.022 2.520 1.00 10.00 C ATOM 123 O ILE A 27 -7.679 -5.948 3.053 1.00 10.00 O ATOM 124 CB ILE A 27 -6.359 -8.304 4.402 1.00 10.00 C ATOM 125 CG1 ILE A 27 -5.069 -8.945 4.927 1.00 10.00 C ATOM 126 CG2 ILE A 27 -7.515 -9.289 4.487 1.00 10.00 C ATOM 127 CD1 ILE A 27 -4.614 -10.154 4.133 1.00 10.00 C ATOM 0 H ILE A 27 -4.794 -6.377 3.602 1.00 10.00 H new ATOM 0 HA ILE A 27 -6.052 -8.675 2.297 1.00 10.00 H new ATOM 0 HB ILE A 27 -6.594 -7.443 5.027 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -4.275 -8.198 4.919 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -5.219 -9.240 5.965 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -7.632 -9.625 5.517 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -8.433 -8.802 4.158 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -7.310 -10.147 3.847 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -3.696 -10.550 4.567 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -5.389 -10.920 4.161 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.430 -9.862 3.099 1.00 10.00 H new ATOM 139 N GLY A 28 -8.121 -7.556 1.543 1.00 10.00 N ATOM 140 CA GLY A 28 -9.319 -6.901 1.056 1.00 10.00 C ATOM 141 C GLY A 28 -10.546 -7.268 1.872 1.00 10.00 C ATOM 142 O GLY A 28 -10.496 -8.171 2.709 1.00 10.00 O ATOM 0 H GLY A 28 -7.896 -8.435 1.077 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -9.177 -5.821 1.083 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -9.483 -7.175 0.014 1.00 10.00 H new ATOM 146 N GLN A 29 -11.654 -6.579 1.616 1.00 10.00 N ATOM 147 CA GLN A 29 -12.900 -6.825 2.334 1.00 10.00 C ATOM 148 C GLN A 29 -13.483 -8.188 1.970 1.00 10.00 C ATOM 149 O GLN A 29 -14.218 -8.786 2.751 1.00 10.00 O ATOM 150 CB GLN A 29 -13.916 -5.725 2.017 1.00 10.00 C ATOM 151 CG GLN A 29 -15.142 -5.728 2.915 1.00 10.00 C ATOM 152 CD GLN A 29 -14.809 -5.396 4.356 1.00 10.00 C ATOM 153 OE1 GLN A 29 -14.687 -4.227 4.722 1.00 10.00 O ATOM 154 NE2 GLN A 29 -14.681 -6.418 5.187 1.00 10.00 N ATOM 0 H GLN A 29 -11.714 -5.842 0.913 1.00 10.00 H new ATOM 0 HA GLN A 29 -12.682 -6.819 3.402 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -13.423 -4.756 2.099 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -14.238 -5.832 0.981 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.866 -5.006 2.538 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -15.617 -6.708 2.872 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -14.790 -7.372 4.843 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -14.474 -6.252 6.172 1.00 10.00 H new ATOM 163 N ASP A 30 -13.135 -8.674 0.786 1.00 10.00 N ATOM 164 CA ASP A 30 -13.618 -9.965 0.302 1.00 10.00 C ATOM 165 C ASP A 30 -12.696 -11.099 0.741 1.00 10.00 C ATOM 166 O ASP A 30 -12.791 -12.215 0.231 1.00 10.00 O ATOM 167 CB ASP A 30 -13.726 -9.953 -1.226 1.00 10.00 C ATOM 168 CG ASP A 30 -12.410 -9.609 -1.894 1.00 10.00 C ATOM 169 OD1 ASP A 30 -12.085 -8.407 -1.982 1.00 10.00 O ATOM 170 OD2 ASP A 30 -11.692 -10.533 -2.332 1.00 10.00 O ATOM 0 H ASP A 30 -12.515 -8.190 0.137 1.00 10.00 H new ATOM 0 HA ASP A 30 -14.604 -10.134 0.734 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -14.061 -10.931 -1.572 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -14.484 -9.231 -1.529 1.00 10.00 H new ATOM 175 N SER A 31 -11.814 -10.797 1.692 1.00 10.00 N ATOM 176 CA SER A 31 -10.859 -11.769 2.219 1.00 10.00 C ATOM 177 C SER A 31 -9.932 -12.289 1.120 1.00 10.00 C ATOM 178 O SER A 31 -10.124 -13.377 0.575 1.00 10.00 O ATOM 179 CB SER A 31 -11.584 -12.924 2.919 1.00 10.00 C ATOM 180 OG SER A 31 -12.271 -12.462 4.073 1.00 10.00 O ATOM 0 H SER A 31 -11.742 -9.873 2.118 1.00 10.00 H new ATOM 0 HA SER A 31 -10.241 -11.260 2.959 1.00 10.00 H new ATOM 0 HB2 SER A 31 -12.291 -13.386 2.230 1.00 10.00 H new ATOM 0 HB3 SER A 31 -10.865 -13.693 3.202 1.00 10.00 H new ATOM 0 HG SER A 31 -12.728 -13.214 4.504 1.00 10.00 H new ATOM 186 N SER A 32 -8.935 -11.485 0.795 1.00 10.00 N ATOM 187 CA SER A 32 -7.957 -11.829 -0.223 1.00 10.00 C ATOM 188 C SER A 32 -6.583 -11.336 0.210 1.00 10.00 C ATOM 189 O SER A 32 -6.423 -10.161 0.549 1.00 10.00 O ATOM 190 CB SER A 32 -8.352 -11.195 -1.558 1.00 10.00 C ATOM 191 OG SER A 32 -9.182 -10.058 -1.355 1.00 10.00 O ATOM 0 H SER A 32 -8.780 -10.575 1.229 1.00 10.00 H new ATOM 0 HA SER A 32 -7.925 -12.911 -0.348 1.00 10.00 H new ATOM 0 HB2 SER A 32 -7.456 -10.903 -2.105 1.00 10.00 H new ATOM 0 HB3 SER A 32 -8.876 -11.928 -2.172 1.00 10.00 H new ATOM 0 HG SER A 32 -10.043 -10.198 -1.802 1.00 10.00 H new ATOM 197 N GLU A 33 -5.605 -12.230 0.223 1.00 10.00 N ATOM 198 CA GLU A 33 -4.256 -11.868 0.623 1.00 10.00 C ATOM 199 C GLU A 33 -3.439 -11.411 -0.581 1.00 10.00 C ATOM 200 O GLU A 33 -2.884 -12.229 -1.316 1.00 10.00 O ATOM 201 CB GLU A 33 -3.560 -13.049 1.306 1.00 10.00 C ATOM 202 CG GLU A 33 -4.330 -13.613 2.490 1.00 10.00 C ATOM 203 CD GLU A 33 -3.509 -14.598 3.297 1.00 10.00 C ATOM 204 OE1 GLU A 33 -3.175 -14.291 4.461 1.00 10.00 O ATOM 205 OE2 GLU A 33 -3.184 -15.680 2.773 1.00 10.00 O ATOM 0 H GLU A 33 -5.721 -13.209 -0.039 1.00 10.00 H new ATOM 0 HA GLU A 33 -4.327 -11.043 1.332 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -3.406 -13.841 0.573 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -2.573 -12.732 1.644 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.648 -12.795 3.136 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -5.234 -14.106 2.131 1.00 10.00 H new ATOM 212 N ILE A 34 -3.391 -10.105 -0.798 1.00 10.00 N ATOM 213 CA ILE A 34 -2.626 -9.555 -1.904 1.00 10.00 C ATOM 214 C ILE A 34 -1.253 -9.129 -1.402 1.00 10.00 C ATOM 215 O ILE A 34 -1.135 -8.286 -0.509 1.00 10.00 O ATOM 216 CB ILE A 34 -3.340 -8.359 -2.571 1.00 10.00 C ATOM 217 CG1 ILE A 34 -4.844 -8.635 -2.726 1.00 10.00 C ATOM 218 CG2 ILE A 34 -2.713 -8.066 -3.929 1.00 10.00 C ATOM 219 CD1 ILE A 34 -5.166 -9.797 -3.646 1.00 10.00 C ATOM 0 H ILE A 34 -3.871 -9.410 -0.225 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.526 -10.332 -2.662 1.00 10.00 H new ATOM 0 HB ILE A 34 -3.220 -7.486 -1.929 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -5.270 -8.835 -1.743 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -5.330 -7.737 -3.107 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -3.224 -7.221 -4.391 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -1.658 -7.825 -3.798 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.808 -8.942 -4.570 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -6.247 -9.927 -3.703 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -4.772 -9.593 -4.642 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -4.711 -10.707 -3.256 1.00 10.00 H new ATOM 231 N HIS A 35 -0.220 -9.722 -1.973 1.00 10.00 N ATOM 232 CA HIS A 35 1.148 -9.441 -1.573 1.00 10.00 C ATOM 233 C HIS A 35 1.699 -8.220 -2.295 1.00 10.00 C ATOM 234 O HIS A 35 1.925 -8.243 -3.507 1.00 10.00 O ATOM 235 CB HIS A 35 2.042 -10.654 -1.846 1.00 10.00 C ATOM 236 CG HIS A 35 1.628 -11.891 -1.104 1.00 10.00 C ATOM 237 ND1 HIS A 35 1.808 -13.145 -1.643 1.00 10.00 N ATOM 238 CD2 HIS A 35 1.052 -12.012 0.118 1.00 10.00 C ATOM 239 CE1 HIS A 35 1.339 -13.994 -0.740 1.00 10.00 C ATOM 240 NE2 HIS A 35 0.872 -13.352 0.337 1.00 10.00 N ATOM 0 H HIS A 35 -0.304 -10.408 -2.723 1.00 10.00 H new ATOM 0 HA HIS A 35 1.143 -9.230 -0.504 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.037 -10.864 -2.916 1.00 10.00 H new ATOM 0 HB3 HIS A 35 3.068 -10.406 -1.575 1.00 10.00 H new ATOM 0 HD2 HIS A 35 0.787 -11.208 0.788 1.00 10.00 H new ATOM 0 HE1 HIS A 35 1.334 -15.067 -0.858 1.00 10.00 H new ATOM 0 HE2 HIS A 35 0.459 -13.780 1.166 1.00 10.00 H new ATOM 248 N PHE A 36 1.910 -7.156 -1.544 1.00 10.00 N ATOM 249 CA PHE A 36 2.451 -5.926 -2.091 1.00 10.00 C ATOM 250 C PHE A 36 3.878 -5.754 -1.593 1.00 10.00 C ATOM 251 O PHE A 36 4.105 -5.589 -0.397 1.00 10.00 O ATOM 252 CB PHE A 36 1.582 -4.738 -1.668 1.00 10.00 C ATOM 253 CG PHE A 36 1.547 -3.615 -2.661 1.00 10.00 C ATOM 254 CD1 PHE A 36 2.705 -3.155 -3.257 1.00 10.00 C ATOM 255 CD2 PHE A 36 0.343 -3.017 -2.995 1.00 10.00 C ATOM 256 CE1 PHE A 36 2.665 -2.122 -4.168 1.00 10.00 C ATOM 257 CE2 PHE A 36 0.296 -1.983 -3.905 1.00 10.00 C ATOM 258 CZ PHE A 36 1.459 -1.535 -4.493 1.00 10.00 C ATOM 0 H PHE A 36 1.713 -7.119 -0.544 1.00 10.00 H new ATOM 0 HA PHE A 36 2.453 -5.972 -3.180 1.00 10.00 H new ATOM 0 HB2 PHE A 36 0.564 -5.089 -1.498 1.00 10.00 H new ATOM 0 HB3 PHE A 36 1.950 -4.355 -0.716 1.00 10.00 H new ATOM 0 HD1 PHE A 36 3.652 -3.610 -3.006 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -0.571 -3.365 -2.536 1.00 10.00 H new ATOM 0 HE1 PHE A 36 3.577 -1.772 -4.628 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -0.649 -1.525 -4.156 1.00 10.00 H new ATOM 0 HZ PHE A 36 1.427 -0.726 -5.207 1.00 10.00 H new ATOM 268 N LYS A 37 4.838 -5.807 -2.500 1.00 10.00 N ATOM 269 CA LYS A 37 6.235 -5.682 -2.117 1.00 10.00 C ATOM 270 C LYS A 37 6.814 -4.333 -2.534 1.00 10.00 C ATOM 271 O LYS A 37 6.774 -3.955 -3.708 1.00 10.00 O ATOM 272 CB LYS A 37 7.057 -6.836 -2.700 1.00 10.00 C ATOM 273 CG LYS A 37 6.679 -7.216 -4.126 1.00 10.00 C ATOM 274 CD LYS A 37 7.157 -8.618 -4.477 1.00 10.00 C ATOM 275 CE LYS A 37 8.668 -8.755 -4.342 1.00 10.00 C ATOM 276 NZ LYS A 37 9.133 -10.132 -4.662 1.00 10.00 N ATOM 0 H LYS A 37 4.679 -5.935 -3.499 1.00 10.00 H new ATOM 0 HA LYS A 37 6.288 -5.735 -1.030 1.00 10.00 H new ATOM 0 HB2 LYS A 37 8.112 -6.563 -2.676 1.00 10.00 H new ATOM 0 HB3 LYS A 37 6.939 -7.710 -2.060 1.00 10.00 H new ATOM 0 HG2 LYS A 37 5.597 -7.160 -4.244 1.00 10.00 H new ATOM 0 HG3 LYS A 37 7.113 -6.498 -4.822 1.00 10.00 H new ATOM 0 HD2 LYS A 37 6.667 -9.342 -3.825 1.00 10.00 H new ATOM 0 HD3 LYS A 37 6.861 -8.857 -5.498 1.00 10.00 H new ATOM 0 HE2 LYS A 37 9.158 -8.043 -5.007 1.00 10.00 H new ATOM 0 HE3 LYS A 37 8.966 -8.499 -3.325 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 10.167 -10.182 -4.558 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 8.686 -10.809 -4.011 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 8.872 -10.368 -5.641 1.00 10.00 H new ATOM 290 N VAL A 38 7.341 -3.614 -1.555 1.00 10.00 N ATOM 291 CA VAL A 38 7.933 -2.305 -1.786 1.00 10.00 C ATOM 292 C VAL A 38 9.440 -2.361 -1.553 1.00 10.00 C ATOM 293 O VAL A 38 9.929 -3.259 -0.868 1.00 10.00 O ATOM 294 CB VAL A 38 7.312 -1.233 -0.857 1.00 10.00 C ATOM 295 CG1 VAL A 38 5.796 -1.248 -0.963 1.00 10.00 C ATOM 296 CG2 VAL A 38 7.743 -1.449 0.588 1.00 10.00 C ATOM 0 H VAL A 38 7.371 -3.919 -0.582 1.00 10.00 H new ATOM 0 HA VAL A 38 7.729 -2.028 -2.820 1.00 10.00 H new ATOM 0 HB VAL A 38 7.675 -0.257 -1.180 1.00 10.00 H new ATOM 0 HG11 VAL A 38 5.378 -0.488 -0.303 1.00 10.00 H new ATOM 0 HG12 VAL A 38 5.501 -1.038 -1.991 1.00 10.00 H new ATOM 0 HG13 VAL A 38 5.421 -2.229 -0.671 1.00 10.00 H new ATOM 0 HG21 VAL A 38 7.293 -0.683 1.220 1.00 10.00 H new ATOM 0 HG22 VAL A 38 7.415 -2.433 0.922 1.00 10.00 H new ATOM 0 HG23 VAL A 38 8.829 -1.385 0.657 1.00 10.00 H new ATOM 306 N LYS A 39 10.173 -1.410 -2.110 1.00 10.00 N ATOM 307 CA LYS A 39 11.619 -1.379 -1.940 1.00 10.00 C ATOM 308 C LYS A 39 12.006 -0.243 -1.000 1.00 10.00 C ATOM 309 O LYS A 39 11.294 0.759 -0.907 1.00 10.00 O ATOM 310 CB LYS A 39 12.320 -1.209 -3.291 1.00 10.00 C ATOM 311 CG LYS A 39 13.689 -1.865 -3.358 1.00 10.00 C ATOM 312 CD LYS A 39 14.396 -1.556 -4.666 1.00 10.00 C ATOM 313 CE LYS A 39 14.802 -0.092 -4.754 1.00 10.00 C ATOM 314 NZ LYS A 39 15.415 0.232 -6.065 1.00 10.00 N ATOM 0 H LYS A 39 9.795 -0.654 -2.680 1.00 10.00 H new ATOM 0 HA LYS A 39 11.938 -2.327 -1.506 1.00 10.00 H new ATOM 0 HB2 LYS A 39 11.688 -1.629 -4.073 1.00 10.00 H new ATOM 0 HB3 LYS A 39 12.426 -0.145 -3.503 1.00 10.00 H new ATOM 0 HG2 LYS A 39 14.299 -1.519 -2.524 1.00 10.00 H new ATOM 0 HG3 LYS A 39 13.581 -2.944 -3.249 1.00 10.00 H new ATOM 0 HD2 LYS A 39 15.281 -2.185 -4.759 1.00 10.00 H new ATOM 0 HD3 LYS A 39 13.740 -1.803 -5.501 1.00 10.00 H new ATOM 0 HE2 LYS A 39 13.927 0.538 -4.597 1.00 10.00 H new ATOM 0 HE3 LYS A 39 15.508 0.138 -3.956 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 15.055 1.149 -6.399 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 16.449 0.282 -5.962 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 15.171 -0.508 -6.754 1.00 10.00 H new ATOM 328 N MET A 40 13.128 -0.394 -0.309 1.00 10.00 N ATOM 329 CA MET A 40 13.593 0.624 0.624 1.00 10.00 C ATOM 330 C MET A 40 14.204 1.808 -0.126 1.00 10.00 C ATOM 331 O MET A 40 15.419 2.014 -0.117 1.00 10.00 O ATOM 332 CB MET A 40 14.601 0.024 1.607 1.00 10.00 C ATOM 333 CG MET A 40 14.957 0.947 2.764 1.00 10.00 C ATOM 334 SD MET A 40 13.512 1.718 3.525 1.00 10.00 S ATOM 335 CE MET A 40 12.635 0.282 4.139 1.00 10.00 C ATOM 0 H MET A 40 13.733 -1.212 -0.377 1.00 10.00 H new ATOM 0 HA MET A 40 12.737 0.990 1.190 1.00 10.00 H new ATOM 0 HB2 MET A 40 14.195 -0.905 2.008 1.00 10.00 H new ATOM 0 HB3 MET A 40 15.512 -0.233 1.067 1.00 10.00 H new ATOM 0 HG2 MET A 40 15.499 0.379 3.520 1.00 10.00 H new ATOM 0 HG3 MET A 40 15.631 1.726 2.406 1.00 10.00 H new ATOM 0 HE1 MET A 40 11.765 0.604 4.712 1.00 10.00 H new ATOM 0 HE2 MET A 40 12.309 -0.332 3.299 1.00 10.00 H new ATOM 0 HE3 MET A 40 13.296 -0.301 4.780 1.00 10.00 H new ATOM 345 N THR A 41 13.332 2.568 -0.777 1.00 10.00 N ATOM 346 CA THR A 41 13.708 3.739 -1.559 1.00 10.00 C ATOM 347 C THR A 41 12.466 4.293 -2.241 1.00 10.00 C ATOM 348 O THR A 41 12.305 5.506 -2.394 1.00 10.00 O ATOM 349 CB THR A 41 14.779 3.395 -2.634 1.00 10.00 C ATOM 350 OG1 THR A 41 16.083 3.779 -2.174 1.00 10.00 O ATOM 351 CG2 THR A 41 14.490 4.083 -3.968 1.00 10.00 C ATOM 0 H THR A 41 12.329 2.385 -0.776 1.00 10.00 H new ATOM 0 HA THR A 41 14.140 4.478 -0.884 1.00 10.00 H new ATOM 0 HB THR A 41 14.743 2.317 -2.793 1.00 10.00 H new ATOM 0 HG1 THR A 41 16.284 3.314 -1.335 1.00 10.00 H new ATOM 0 HG21 THR A 41 15.262 3.816 -4.690 1.00 10.00 H new ATOM 0 HG22 THR A 41 13.518 3.761 -4.340 1.00 10.00 H new ATOM 0 HG23 THR A 41 14.484 5.164 -3.826 1.00 10.00 H new ATOM 359 N THR A 42 11.582 3.387 -2.631 1.00 10.00 N ATOM 360 CA THR A 42 10.362 3.760 -3.315 1.00 10.00 C ATOM 361 C THR A 42 9.432 4.516 -2.367 1.00 10.00 C ATOM 362 O THR A 42 8.949 3.950 -1.380 1.00 10.00 O ATOM 363 CB THR A 42 9.640 2.510 -3.877 1.00 10.00 C ATOM 364 OG1 THR A 42 9.041 1.750 -2.815 1.00 10.00 O ATOM 365 CG2 THR A 42 10.616 1.616 -4.614 1.00 10.00 C ATOM 0 H THR A 42 11.692 2.384 -2.482 1.00 10.00 H new ATOM 0 HA THR A 42 10.627 4.411 -4.149 1.00 10.00 H new ATOM 0 HB THR A 42 8.867 2.858 -4.563 1.00 10.00 H new ATOM 0 HG1 THR A 42 9.083 2.264 -1.981 1.00 10.00 H new ATOM 0 HG21 THR A 42 10.089 0.744 -5.001 1.00 10.00 H new ATOM 0 HG22 THR A 42 11.061 2.168 -5.442 1.00 10.00 H new ATOM 0 HG23 THR A 42 11.401 1.292 -3.930 1.00 10.00 H new ATOM 373 N HIS A 43 9.212 5.797 -2.638 1.00 10.00 N ATOM 374 CA HIS A 43 8.328 6.598 -1.800 1.00 10.00 C ATOM 375 C HIS A 43 6.908 6.062 -1.933 1.00 10.00 C ATOM 376 O HIS A 43 6.482 5.693 -3.028 1.00 10.00 O ATOM 377 CB HIS A 43 8.376 8.106 -2.142 1.00 10.00 C ATOM 378 CG HIS A 43 9.103 8.466 -3.412 1.00 10.00 C ATOM 379 ND1 HIS A 43 8.420 8.836 -4.546 1.00 10.00 N ATOM 380 CD2 HIS A 43 10.438 8.514 -3.667 1.00 10.00 C ATOM 381 CE1 HIS A 43 9.342 9.092 -5.460 1.00 10.00 C ATOM 382 NE2 HIS A 43 10.574 8.906 -4.975 1.00 10.00 N ATOM 0 H HIS A 43 9.628 6.299 -3.422 1.00 10.00 H new ATOM 0 HA HIS A 43 8.672 6.512 -0.769 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.353 8.476 -2.213 1.00 10.00 H new ATOM 0 HB3 HIS A 43 8.849 8.633 -1.313 1.00 10.00 H new ATOM 0 HD1 HIS A 43 7.408 8.900 -4.660 1.00 10.00 H new ATOM 0 HD2 HIS A 43 11.236 8.288 -2.975 1.00 10.00 H new ATOM 0 HE1 HIS A 43 9.127 9.411 -6.469 1.00 10.00 H new ATOM 390 N LEU A 44 6.176 6.031 -0.822 1.00 10.00 N ATOM 391 CA LEU A 44 4.810 5.500 -0.812 1.00 10.00 C ATOM 392 C LEU A 44 3.865 6.314 -1.694 1.00 10.00 C ATOM 393 O LEU A 44 2.705 5.944 -1.882 1.00 10.00 O ATOM 394 CB LEU A 44 4.279 5.409 0.622 1.00 10.00 C ATOM 395 CG LEU A 44 4.912 4.296 1.467 1.00 10.00 C ATOM 396 CD1 LEU A 44 4.479 4.402 2.921 1.00 10.00 C ATOM 397 CD2 LEU A 44 4.547 2.930 0.905 1.00 10.00 C ATOM 0 H LEU A 44 6.503 6.367 0.084 1.00 10.00 H new ATOM 0 HA LEU A 44 4.850 4.496 -1.235 1.00 10.00 H new ATOM 0 HB2 LEU A 44 4.446 6.365 1.119 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.201 5.252 0.587 1.00 10.00 H new ATOM 0 HG LEU A 44 5.995 4.415 1.426 1.00 10.00 H new ATOM 0 HD11 LEU A 44 4.942 3.601 3.498 1.00 10.00 H new ATOM 0 HD12 LEU A 44 4.790 5.366 3.324 1.00 10.00 H new ATOM 0 HD13 LEU A 44 3.394 4.315 2.985 1.00 10.00 H new ATOM 0 HD21 LEU A 44 5.004 2.151 1.516 1.00 10.00 H new ATOM 0 HD22 LEU A 44 3.464 2.810 0.915 1.00 10.00 H new ATOM 0 HD23 LEU A 44 4.912 2.849 -0.119 1.00 10.00 H new ATOM 409 N LYS A 45 4.375 7.410 -2.237 1.00 10.00 N ATOM 410 CA LYS A 45 3.616 8.271 -3.128 1.00 10.00 C ATOM 411 C LYS A 45 3.079 7.472 -4.319 1.00 10.00 C ATOM 412 O LYS A 45 1.877 7.456 -4.590 1.00 10.00 O ATOM 413 CB LYS A 45 4.523 9.398 -3.626 1.00 10.00 C ATOM 414 CG LYS A 45 3.876 10.297 -4.661 1.00 10.00 C ATOM 415 CD LYS A 45 2.722 11.076 -4.065 1.00 10.00 C ATOM 416 CE LYS A 45 2.052 11.961 -5.096 1.00 10.00 C ATOM 417 NZ LYS A 45 1.030 12.840 -4.474 1.00 10.00 N ATOM 0 H LYS A 45 5.330 7.727 -2.071 1.00 10.00 H new ATOM 0 HA LYS A 45 2.769 8.690 -2.585 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.832 10.005 -2.775 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.427 8.962 -4.052 1.00 10.00 H new ATOM 0 HG2 LYS A 45 4.618 10.989 -5.060 1.00 10.00 H new ATOM 0 HG3 LYS A 45 3.519 9.695 -5.497 1.00 10.00 H new ATOM 0 HD2 LYS A 45 1.991 10.383 -3.650 1.00 10.00 H new ATOM 0 HD3 LYS A 45 3.084 11.689 -3.240 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.803 12.572 -5.597 1.00 10.00 H new ATOM 0 HE3 LYS A 45 1.584 11.341 -5.861 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 0.614 13.457 -5.201 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 0.283 12.256 -4.047 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 1.476 13.424 -3.738 1.00 10.00 H new ATOM 431 N LYS A 46 3.985 6.792 -5.007 1.00 10.00 N ATOM 432 CA LYS A 46 3.631 5.996 -6.171 1.00 10.00 C ATOM 433 C LYS A 46 2.986 4.679 -5.751 1.00 10.00 C ATOM 434 O LYS A 46 2.213 4.088 -6.501 1.00 10.00 O ATOM 435 CB LYS A 46 4.880 5.734 -7.005 1.00 10.00 C ATOM 436 CG LYS A 46 4.616 5.186 -8.397 1.00 10.00 C ATOM 437 CD LYS A 46 5.899 5.172 -9.214 1.00 10.00 C ATOM 438 CE LYS A 46 6.151 6.540 -9.808 1.00 10.00 C ATOM 439 NZ LYS A 46 7.589 6.780 -10.092 1.00 10.00 N ATOM 0 H LYS A 46 4.978 6.777 -4.776 1.00 10.00 H new ATOM 0 HA LYS A 46 2.907 6.548 -6.770 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.440 6.665 -7.097 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.517 5.031 -6.468 1.00 10.00 H new ATOM 0 HG2 LYS A 46 4.211 4.176 -8.326 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.865 5.796 -8.898 1.00 10.00 H new ATOM 0 HD2 LYS A 46 6.738 4.881 -8.583 1.00 10.00 H new ATOM 0 HD3 LYS A 46 5.825 4.430 -10.009 1.00 10.00 H new ATOM 0 HE2 LYS A 46 5.580 6.643 -10.730 1.00 10.00 H new ATOM 0 HE3 LYS A 46 5.787 7.304 -9.121 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 7.785 7.801 -10.052 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 8.170 6.287 -9.384 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 7.820 6.420 -11.040 1.00 10.00 H new ATOM 453 N LEU A 47 3.294 4.231 -4.544 1.00 10.00 N ATOM 454 CA LEU A 47 2.742 2.981 -4.031 1.00 10.00 C ATOM 455 C LEU A 47 1.228 3.065 -3.903 1.00 10.00 C ATOM 456 O LEU A 47 0.516 2.096 -4.175 1.00 10.00 O ATOM 457 CB LEU A 47 3.356 2.630 -2.674 1.00 10.00 C ATOM 458 CG LEU A 47 4.651 1.817 -2.726 1.00 10.00 C ATOM 459 CD1 LEU A 47 4.514 0.668 -3.694 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.836 2.689 -3.106 1.00 10.00 C ATOM 0 H LEU A 47 3.922 4.712 -3.900 1.00 10.00 H new ATOM 0 HA LEU A 47 2.990 2.195 -4.744 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.551 3.556 -2.133 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.620 2.071 -2.096 1.00 10.00 H new ATOM 0 HG LEU A 47 4.834 1.417 -1.729 1.00 10.00 H new ATOM 0 HD11 LEU A 47 5.444 0.100 -3.719 1.00 10.00 H new ATOM 0 HD12 LEU A 47 3.700 0.018 -3.374 1.00 10.00 H new ATOM 0 HD13 LEU A 47 4.299 1.055 -4.690 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.741 2.082 -3.134 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.664 3.129 -4.088 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.955 3.483 -2.369 1.00 10.00 H new ATOM 472 N LYS A 48 0.743 4.228 -3.495 1.00 10.00 N ATOM 473 CA LYS A 48 -0.685 4.439 -3.327 1.00 10.00 C ATOM 474 C LYS A 48 -1.406 4.444 -4.673 1.00 10.00 C ATOM 475 O LYS A 48 -2.465 3.828 -4.820 1.00 10.00 O ATOM 476 CB LYS A 48 -0.942 5.746 -2.578 1.00 10.00 C ATOM 477 CG LYS A 48 -0.420 5.732 -1.149 1.00 10.00 C ATOM 478 CD LYS A 48 -0.576 7.087 -0.478 1.00 10.00 C ATOM 479 CE LYS A 48 -2.038 7.430 -0.241 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.196 8.706 0.505 1.00 10.00 N ATOM 0 H LYS A 48 1.319 5.040 -3.274 1.00 10.00 H new ATOM 0 HA LYS A 48 -1.082 3.612 -2.739 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.473 6.566 -3.121 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -2.014 5.944 -2.564 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -0.956 4.977 -0.573 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.632 5.445 -1.149 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -0.043 7.086 0.473 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -0.117 7.856 -1.099 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -2.553 7.504 -1.199 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.514 6.623 0.316 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -3.171 9.051 0.399 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -1.992 8.547 1.512 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -1.535 9.414 0.126 1.00 10.00 H new ATOM 494 N GLU A 49 -0.830 5.123 -5.661 1.00 10.00 N ATOM 495 CA GLU A 49 -1.447 5.188 -6.983 1.00 10.00 C ATOM 496 C GLU A 49 -1.333 3.849 -7.710 1.00 10.00 C ATOM 497 O GLU A 49 -2.244 3.467 -8.438 1.00 10.00 O ATOM 498 CB GLU A 49 -0.848 6.313 -7.831 1.00 10.00 C ATOM 499 CG GLU A 49 0.665 6.396 -7.777 1.00 10.00 C ATOM 500 CD GLU A 49 1.237 7.276 -8.868 1.00 10.00 C ATOM 501 OE1 GLU A 49 1.763 6.733 -9.859 1.00 10.00 O ATOM 502 OE2 GLU A 49 1.149 8.518 -8.745 1.00 10.00 O ATOM 0 H GLU A 49 0.051 5.630 -5.574 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.504 5.409 -6.835 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -1.156 6.175 -8.867 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -1.265 7.264 -7.499 1.00 10.00 H new ATOM 0 HG2 GLU A 49 0.970 6.784 -6.805 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.084 5.394 -7.866 1.00 10.00 H new ATOM 509 N SER A 50 -0.227 3.132 -7.497 1.00 10.00 N ATOM 510 CA SER A 50 -0.033 1.831 -8.137 1.00 10.00 C ATOM 511 C SER A 50 -1.162 0.880 -7.747 1.00 10.00 C ATOM 512 O SER A 50 -1.649 0.100 -8.568 1.00 10.00 O ATOM 513 CB SER A 50 1.323 1.233 -7.750 1.00 10.00 C ATOM 514 OG SER A 50 2.388 2.077 -8.157 1.00 10.00 O ATOM 0 H SER A 50 0.540 3.427 -6.893 1.00 10.00 H new ATOM 0 HA SER A 50 -0.048 1.973 -9.218 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.364 1.085 -6.671 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.436 0.252 -8.211 1.00 10.00 H new ATOM 0 HG SER A 50 2.418 2.868 -7.579 1.00 10.00 H new ATOM 520 N TYR A 51 -1.583 0.968 -6.489 1.00 10.00 N ATOM 521 CA TYR A 51 -2.666 0.140 -5.985 1.00 10.00 C ATOM 522 C TYR A 51 -3.965 0.504 -6.693 1.00 10.00 C ATOM 523 O TYR A 51 -4.716 -0.367 -7.129 1.00 10.00 O ATOM 524 CB TYR A 51 -2.819 0.330 -4.474 1.00 10.00 C ATOM 525 CG TYR A 51 -3.934 -0.492 -3.866 1.00 10.00 C ATOM 526 CD1 TYR A 51 -3.753 -1.838 -3.583 1.00 10.00 C ATOM 527 CD2 TYR A 51 -5.169 0.079 -3.585 1.00 10.00 C ATOM 528 CE1 TYR A 51 -4.770 -2.592 -3.031 1.00 10.00 C ATOM 529 CE2 TYR A 51 -6.189 -0.669 -3.031 1.00 10.00 C ATOM 530 CZ TYR A 51 -5.985 -2.004 -2.761 1.00 10.00 C ATOM 531 OH TYR A 51 -7.000 -2.755 -2.211 1.00 10.00 O ATOM 0 H TYR A 51 -1.187 1.608 -5.800 1.00 10.00 H new ATOM 0 HA TYR A 51 -2.433 -0.906 -6.182 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.880 0.068 -3.987 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -3.002 1.384 -4.266 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -2.802 -2.303 -3.798 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -5.334 1.124 -3.803 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -4.613 -3.638 -2.812 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -7.141 -0.210 -2.811 1.00 10.00 H new ATOM 0 HH TYR A 51 -7.791 -2.191 -2.081 1.00 10.00 H new ATOM 541 N CYS A 52 -4.209 1.807 -6.816 1.00 10.00 N ATOM 542 CA CYS A 52 -5.407 2.311 -7.474 1.00 10.00 C ATOM 543 C CYS A 52 -5.469 1.821 -8.919 1.00 10.00 C ATOM 544 O CYS A 52 -6.523 1.405 -9.402 1.00 10.00 O ATOM 545 CB CYS A 52 -5.434 3.844 -7.438 1.00 10.00 C ATOM 546 SG CYS A 52 -5.205 4.561 -5.791 1.00 10.00 S ATOM 0 H CYS A 52 -3.587 2.535 -6.465 1.00 10.00 H new ATOM 0 HA CYS A 52 -6.277 1.932 -6.938 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.654 4.224 -8.097 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.387 4.187 -7.841 1.00 10.00 H new ATOM 0 HG CYS A 52 -3.941 4.555 -5.487 1.00 10.00 H new ATOM 552 N GLN A 53 -4.327 1.855 -9.596 1.00 10.00 N ATOM 553 CA GLN A 53 -4.242 1.414 -10.984 1.00 10.00 C ATOM 554 C GLN A 53 -4.563 -0.072 -11.104 1.00 10.00 C ATOM 555 O GLN A 53 -5.307 -0.484 -11.996 1.00 10.00 O ATOM 556 CB GLN A 53 -2.846 1.682 -11.547 1.00 10.00 C ATOM 557 CG GLN A 53 -2.429 3.141 -11.482 1.00 10.00 C ATOM 558 CD GLN A 53 -1.003 3.358 -11.946 1.00 10.00 C ATOM 559 OE1 GLN A 53 -0.164 2.459 -11.864 1.00 10.00 O ATOM 560 NE2 GLN A 53 -0.713 4.559 -12.418 1.00 10.00 N ATOM 0 H GLN A 53 -3.444 2.184 -9.205 1.00 10.00 H new ATOM 0 HA GLN A 53 -4.976 1.980 -11.558 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -2.121 1.082 -10.997 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -2.813 1.350 -12.585 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -3.103 3.736 -12.099 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -2.533 3.500 -10.458 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -1.437 5.275 -12.469 1.00 10.00 H new ATOM 0 HE22 GLN A 53 0.235 4.769 -12.731 1.00 10.00 H new ATOM 569 N ARG A 54 -4.008 -0.869 -10.197 1.00 10.00 N ATOM 570 CA ARG A 54 -4.231 -2.311 -10.205 1.00 10.00 C ATOM 571 C ARG A 54 -5.697 -2.647 -9.930 1.00 10.00 C ATOM 572 O ARG A 54 -6.243 -3.596 -10.498 1.00 10.00 O ATOM 573 CB ARG A 54 -3.327 -2.999 -9.179 1.00 10.00 C ATOM 574 CG ARG A 54 -3.549 -4.499 -9.089 1.00 10.00 C ATOM 575 CD ARG A 54 -2.315 -5.226 -8.588 1.00 10.00 C ATOM 576 NE ARG A 54 -2.541 -6.666 -8.489 1.00 10.00 N ATOM 577 CZ ARG A 54 -1.744 -7.587 -9.031 1.00 10.00 C ATOM 578 NH1 ARG A 54 -0.664 -7.221 -9.716 1.00 10.00 N ATOM 579 NH2 ARG A 54 -2.038 -8.874 -8.899 1.00 10.00 N ATOM 0 H ARG A 54 -3.400 -0.541 -9.447 1.00 10.00 H new ATOM 0 HA ARG A 54 -3.981 -2.682 -11.199 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -2.285 -2.808 -9.438 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -3.498 -2.554 -8.199 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -4.386 -4.702 -8.421 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -3.824 -4.885 -10.071 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -1.480 -5.034 -9.262 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -2.033 -4.834 -7.611 1.00 10.00 H new ATOM 0 HE ARG A 54 -3.360 -6.987 -7.973 1.00 10.00 H new ATOM 0 HH11 ARG A 54 -0.442 -6.232 -9.828 1.00 10.00 H new ATOM 0 HH12 ARG A 54 -0.057 -7.930 -10.129 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -2.872 -9.156 -8.384 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -1.430 -9.581 -9.313 1.00 10.00 H new ATOM 593 N GLN A 55 -6.334 -1.865 -9.068 1.00 10.00 N ATOM 594 CA GLN A 55 -7.734 -2.087 -8.729 1.00 10.00 C ATOM 595 C GLN A 55 -8.657 -1.504 -9.796 1.00 10.00 C ATOM 596 O GLN A 55 -9.832 -1.854 -9.870 1.00 10.00 O ATOM 597 CB GLN A 55 -8.053 -1.485 -7.359 1.00 10.00 C ATOM 598 CG GLN A 55 -7.304 -2.150 -6.214 1.00 10.00 C ATOM 599 CD GLN A 55 -7.588 -3.637 -6.117 1.00 10.00 C ATOM 600 OE1 GLN A 55 -6.907 -4.455 -6.735 1.00 10.00 O ATOM 601 NE2 GLN A 55 -8.598 -3.993 -5.340 1.00 10.00 N ATOM 0 H GLN A 55 -5.904 -1.072 -8.591 1.00 10.00 H new ATOM 0 HA GLN A 55 -7.905 -3.163 -8.687 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -7.810 -0.422 -7.373 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.125 -1.565 -7.177 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -6.233 -1.996 -6.347 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -7.581 -1.669 -5.276 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -9.136 -3.282 -4.846 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -8.838 -4.979 -5.235 1.00 10.00 H new ATOM 610 N GLY A 56 -8.118 -0.617 -10.621 1.00 10.00 N ATOM 611 CA GLY A 56 -8.908 -0.008 -11.673 1.00 10.00 C ATOM 612 C GLY A 56 -9.739 1.151 -11.164 1.00 10.00 C ATOM 613 O GLY A 56 -10.878 1.351 -11.592 1.00 10.00 O ATOM 0 H GLY A 56 -7.147 -0.308 -10.581 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.247 0.341 -12.466 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.565 -0.758 -12.113 1.00 10.00 H new ATOM 617 N VAL A 57 -9.167 1.913 -10.246 1.00 10.00 N ATOM 618 CA VAL A 57 -9.844 3.060 -9.659 1.00 10.00 C ATOM 619 C VAL A 57 -8.950 4.293 -9.744 1.00 10.00 C ATOM 620 O VAL A 57 -7.736 4.166 -9.917 1.00 10.00 O ATOM 621 CB VAL A 57 -10.218 2.798 -8.182 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.384 1.828 -8.086 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.023 2.271 -7.406 1.00 10.00 C ATOM 0 H VAL A 57 -8.225 1.756 -9.888 1.00 10.00 H new ATOM 0 HA VAL A 57 -10.762 3.229 -10.222 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.522 3.746 -7.739 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -11.630 1.658 -7.038 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.250 2.248 -8.599 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.109 0.882 -8.552 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -9.311 2.094 -6.370 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -8.683 1.337 -7.852 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.216 3.003 -7.438 1.00 10.00 H new ATOM 633 N PRO A 58 -9.534 5.501 -9.656 1.00 10.00 N ATOM 634 CA PRO A 58 -8.765 6.749 -9.708 1.00 10.00 C ATOM 635 C PRO A 58 -7.891 6.928 -8.469 1.00 10.00 C ATOM 636 O PRO A 58 -8.080 6.247 -7.461 1.00 10.00 O ATOM 637 CB PRO A 58 -9.846 7.834 -9.761 1.00 10.00 C ATOM 638 CG PRO A 58 -11.047 7.205 -9.150 1.00 10.00 C ATOM 639 CD PRO A 58 -10.983 5.751 -9.522 1.00 10.00 C ATOM 0 HA PRO A 58 -8.080 6.776 -10.555 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -9.541 8.723 -9.209 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -10.042 8.147 -10.786 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -11.047 7.332 -8.067 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -11.962 7.664 -9.524 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.432 5.119 -8.755 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.514 5.549 -10.452 1.00 10.00 H new ATOM 647 N MET A 59 -6.937 7.842 -8.544 1.00 10.00 N ATOM 648 CA MET A 59 -6.043 8.098 -7.424 1.00 10.00 C ATOM 649 C MET A 59 -6.790 8.787 -6.284 1.00 10.00 C ATOM 650 O MET A 59 -7.653 9.634 -6.524 1.00 10.00 O ATOM 651 CB MET A 59 -4.860 8.958 -7.878 1.00 10.00 C ATOM 652 CG MET A 59 -3.750 9.068 -6.847 1.00 10.00 C ATOM 653 SD MET A 59 -2.308 9.952 -7.468 1.00 10.00 S ATOM 654 CE MET A 59 -1.194 9.796 -6.072 1.00 10.00 C ATOM 0 H MET A 59 -6.761 8.419 -9.367 1.00 10.00 H new ATOM 0 HA MET A 59 -5.665 7.143 -7.059 1.00 10.00 H new ATOM 0 HB2 MET A 59 -4.450 8.539 -8.797 1.00 10.00 H new ATOM 0 HB3 MET A 59 -5.221 9.958 -8.118 1.00 10.00 H new ATOM 0 HG2 MET A 59 -4.131 9.579 -5.962 1.00 10.00 H new ATOM 0 HG3 MET A 59 -3.451 8.068 -6.534 1.00 10.00 H new ATOM 0 HE1 MET A 59 -0.163 9.875 -6.418 1.00 10.00 H new ATOM 0 HE2 MET A 59 -1.397 10.590 -5.354 1.00 10.00 H new ATOM 0 HE3 MET A 59 -1.343 8.828 -5.594 1.00 10.00 H new ATOM 664 N ASN A 60 -6.457 8.394 -5.052 1.00 10.00 N ATOM 665 CA ASN A 60 -7.066 8.958 -3.839 1.00 10.00 C ATOM 666 C ASN A 60 -8.520 8.508 -3.683 1.00 10.00 C ATOM 667 O ASN A 60 -9.365 9.241 -3.167 1.00 10.00 O ATOM 668 CB ASN A 60 -6.966 10.494 -3.831 1.00 10.00 C ATOM 669 CG ASN A 60 -7.115 11.084 -2.439 1.00 10.00 C ATOM 670 OD1 ASN A 60 -6.866 10.413 -1.436 1.00 10.00 O ATOM 671 ND2 ASN A 60 -7.504 12.349 -2.370 1.00 10.00 N ATOM 0 H ASN A 60 -5.758 7.676 -4.864 1.00 10.00 H new ATOM 0 HA ASN A 60 -6.506 8.577 -2.985 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -6.004 10.794 -4.247 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -7.737 10.908 -4.481 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -7.607 12.802 -1.462 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -7.700 12.870 -3.225 1.00 10.00 H new ATOM 678 N SER A 61 -8.804 7.292 -4.127 1.00 10.00 N ATOM 679 CA SER A 61 -10.144 6.734 -4.024 1.00 10.00 C ATOM 680 C SER A 61 -10.281 5.920 -2.741 1.00 10.00 C ATOM 681 O SER A 61 -11.321 5.945 -2.080 1.00 10.00 O ATOM 682 CB SER A 61 -10.432 5.849 -5.234 1.00 10.00 C ATOM 683 OG SER A 61 -9.319 5.021 -5.519 1.00 10.00 O ATOM 0 H SER A 61 -8.122 6.672 -4.563 1.00 10.00 H new ATOM 0 HA SER A 61 -10.864 7.552 -3.999 1.00 10.00 H new ATOM 0 HB2 SER A 61 -11.311 5.234 -5.041 1.00 10.00 H new ATOM 0 HB3 SER A 61 -10.662 6.470 -6.100 1.00 10.00 H new ATOM 0 HG SER A 61 -8.926 5.285 -6.377 1.00 10.00 H new ATOM 689 N LEU A 62 -9.222 5.197 -2.400 1.00 10.00 N ATOM 690 CA LEU A 62 -9.211 4.372 -1.207 1.00 10.00 C ATOM 691 C LEU A 62 -8.200 4.903 -0.199 1.00 10.00 C ATOM 692 O LEU A 62 -7.201 5.524 -0.572 1.00 10.00 O ATOM 693 CB LEU A 62 -8.883 2.916 -1.558 1.00 10.00 C ATOM 694 CG LEU A 62 -9.969 2.172 -2.340 1.00 10.00 C ATOM 695 CD1 LEU A 62 -9.590 2.057 -3.808 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.207 0.794 -1.741 1.00 10.00 C ATOM 0 H LEU A 62 -8.356 5.168 -2.939 1.00 10.00 H new ATOM 0 HA LEU A 62 -10.205 4.409 -0.762 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.962 2.898 -2.141 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.686 2.372 -0.634 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.894 2.744 -2.270 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -10.375 1.525 -4.346 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -9.471 3.054 -4.232 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -8.652 1.509 -3.900 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -10.982 0.279 -2.309 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -9.284 0.216 -1.780 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.526 0.898 -0.704 1.00 10.00 H new ATOM 708 N ARG A 63 -8.472 4.657 1.070 1.00 10.00 N ATOM 709 CA ARG A 63 -7.606 5.098 2.148 1.00 10.00 C ATOM 710 C ARG A 63 -6.770 3.936 2.664 1.00 10.00 C ATOM 711 O ARG A 63 -7.278 2.832 2.865 1.00 10.00 O ATOM 712 CB ARG A 63 -8.430 5.701 3.295 1.00 10.00 C ATOM 713 CG ARG A 63 -9.429 4.730 3.912 1.00 10.00 C ATOM 714 CD ARG A 63 -10.260 5.388 5.001 1.00 10.00 C ATOM 715 NE ARG A 63 -11.417 4.569 5.379 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.671 4.823 5.000 1.00 10.00 C ATOM 717 NH1 ARG A 63 -12.943 5.874 4.243 1.00 10.00 N ATOM 718 NH2 ARG A 63 -13.655 4.013 5.370 1.00 10.00 N ATOM 0 H ARG A 63 -9.298 4.147 1.382 1.00 10.00 H new ATOM 0 HA ARG A 63 -6.940 5.867 1.757 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.751 6.052 4.072 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -8.968 6.574 2.924 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -10.089 4.345 3.134 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -8.895 3.876 4.329 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -9.636 5.562 5.878 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.603 6.363 4.656 1.00 10.00 H new ATOM 0 HE ARG A 63 -11.252 3.753 5.969 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -12.192 6.496 3.945 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -13.904 6.062 3.957 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -13.453 3.195 5.945 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -14.613 4.209 5.080 1.00 10.00 H new ATOM 732 N PHE A 64 -5.488 4.185 2.854 1.00 10.00 N ATOM 733 CA PHE A 64 -4.579 3.174 3.367 1.00 10.00 C ATOM 734 C PHE A 64 -4.358 3.429 4.846 1.00 10.00 C ATOM 735 O PHE A 64 -3.880 4.499 5.228 1.00 10.00 O ATOM 736 CB PHE A 64 -3.249 3.213 2.612 1.00 10.00 C ATOM 737 CG PHE A 64 -3.390 3.005 1.129 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.677 4.069 0.291 1.00 10.00 C ATOM 739 CD2 PHE A 64 -3.234 1.744 0.575 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.809 3.883 -1.070 1.00 10.00 C ATOM 741 CE2 PHE A 64 -3.363 1.551 -0.786 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.651 2.623 -1.610 1.00 10.00 C ATOM 0 H PHE A 64 -5.049 5.085 2.660 1.00 10.00 H new ATOM 0 HA PHE A 64 -5.013 2.184 3.224 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.768 4.174 2.791 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.589 2.446 3.017 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -3.799 5.058 0.708 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -3.009 0.903 1.215 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -4.036 4.722 -1.711 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -3.239 0.564 -1.206 1.00 10.00 H new ATOM 0 HZ PHE A 64 -3.752 2.475 -2.675 1.00 10.00 H new ATOM 752 N LEU A 65 -4.719 2.465 5.676 1.00 10.00 N ATOM 753 CA LEU A 65 -4.590 2.627 7.113 1.00 10.00 C ATOM 754 C LEU A 65 -3.568 1.670 7.707 1.00 10.00 C ATOM 755 O LEU A 65 -3.485 0.498 7.330 1.00 10.00 O ATOM 756 CB LEU A 65 -5.945 2.419 7.794 1.00 10.00 C ATOM 757 CG LEU A 65 -7.075 3.328 7.298 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.395 2.933 7.939 1.00 10.00 C ATOM 759 CD2 LEU A 65 -6.759 4.787 7.590 1.00 10.00 C ATOM 0 H LEU A 65 -5.102 1.567 5.381 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.240 3.644 7.292 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.248 1.381 7.654 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -5.822 2.573 8.866 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.163 3.206 6.218 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.186 3.589 7.576 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.631 1.901 7.680 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.316 3.026 9.022 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -7.574 5.415 7.230 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -6.642 4.926 8.665 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -5.835 5.067 7.085 1.00 10.00 H new ATOM 771 N PHE A 66 -2.791 2.198 8.634 1.00 10.00 N ATOM 772 CA PHE A 66 -1.779 1.440 9.343 1.00 10.00 C ATOM 773 C PHE A 66 -1.737 1.931 10.780 1.00 10.00 C ATOM 774 O PHE A 66 -1.449 3.104 11.030 1.00 10.00 O ATOM 775 CB PHE A 66 -0.406 1.596 8.681 1.00 10.00 C ATOM 776 CG PHE A 66 0.710 0.927 9.440 1.00 10.00 C ATOM 777 CD1 PHE A 66 0.612 -0.404 9.815 1.00 10.00 C ATOM 778 CD2 PHE A 66 1.853 1.630 9.779 1.00 10.00 C ATOM 779 CE1 PHE A 66 1.631 -1.019 10.515 1.00 10.00 C ATOM 780 CE2 PHE A 66 2.877 1.020 10.479 1.00 10.00 C ATOM 781 CZ PHE A 66 2.766 -0.305 10.847 1.00 10.00 C ATOM 0 H PHE A 66 -2.846 3.176 8.919 1.00 10.00 H new ATOM 0 HA PHE A 66 -2.031 0.380 9.315 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.449 1.181 7.674 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -0.180 2.657 8.579 1.00 10.00 H new ATOM 0 HD1 PHE A 66 -0.273 -0.967 9.556 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.946 2.667 9.493 1.00 10.00 H new ATOM 0 HE1 PHE A 66 1.541 -2.056 10.802 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.763 1.580 10.738 1.00 10.00 H new ATOM 0 HZ PHE A 66 3.565 -0.783 11.394 1.00 10.00 H new ATOM 791 N GLU A 67 -2.067 1.041 11.711 1.00 10.00 N ATOM 792 CA GLU A 67 -2.101 1.372 13.133 1.00 10.00 C ATOM 793 C GLU A 67 -3.173 2.423 13.406 1.00 10.00 C ATOM 794 O GLU A 67 -3.093 3.184 14.370 1.00 10.00 O ATOM 795 CB GLU A 67 -0.732 1.854 13.621 1.00 10.00 C ATOM 796 CG GLU A 67 0.244 0.716 13.868 1.00 10.00 C ATOM 797 CD GLU A 67 -0.327 -0.326 14.806 1.00 10.00 C ATOM 798 OE1 GLU A 67 -0.695 -1.420 14.337 1.00 10.00 O ATOM 799 OE2 GLU A 67 -0.426 -0.048 16.019 1.00 10.00 O ATOM 0 H GLU A 67 -2.317 0.074 11.503 1.00 10.00 H new ATOM 0 HA GLU A 67 -2.351 0.467 13.687 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -0.308 2.535 12.883 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -0.860 2.422 14.542 1.00 10.00 H new ATOM 0 HG2 GLU A 67 0.502 0.247 12.919 1.00 10.00 H new ATOM 0 HG3 GLU A 67 1.167 1.115 14.288 1.00 10.00 H new ATOM 806 N GLY A 68 -4.178 2.453 12.536 1.00 10.00 N ATOM 807 CA GLY A 68 -5.263 3.402 12.675 1.00 10.00 C ATOM 808 C GLY A 68 -4.991 4.711 11.961 1.00 10.00 C ATOM 809 O GLY A 68 -5.916 5.460 11.646 1.00 10.00 O ATOM 0 H GLY A 68 -4.258 1.831 11.732 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -6.178 2.961 12.280 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -5.434 3.599 13.733 1.00 10.00 H new ATOM 813 N GLN A 69 -3.720 4.981 11.700 1.00 10.00 N ATOM 814 CA GLN A 69 -3.319 6.205 11.026 1.00 10.00 C ATOM 815 C GLN A 69 -3.384 6.012 9.515 1.00 10.00 C ATOM 816 O GLN A 69 -3.321 4.883 9.026 1.00 10.00 O ATOM 817 CB GLN A 69 -1.905 6.609 11.462 1.00 10.00 C ATOM 818 CG GLN A 69 -1.667 6.460 12.959 1.00 10.00 C ATOM 819 CD GLN A 69 -0.437 7.203 13.442 1.00 10.00 C ATOM 820 OE1 GLN A 69 0.519 7.411 12.692 1.00 10.00 O ATOM 821 NE2 GLN A 69 -0.449 7.600 14.704 1.00 10.00 N ATOM 0 H GLN A 69 -2.946 4.364 11.947 1.00 10.00 H new ATOM 0 HA GLN A 69 -4.005 7.006 11.302 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -1.179 5.999 10.924 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -1.727 7.645 11.175 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -2.541 6.826 13.498 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -1.564 5.402 13.201 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -1.260 7.408 15.291 1.00 10.00 H new ATOM 0 HE22 GLN A 69 0.353 8.098 15.090 1.00 10.00 H new ATOM 830 N ARG A 70 -3.505 7.108 8.778 1.00 10.00 N ATOM 831 CA ARG A 70 -3.598 7.042 7.325 1.00 10.00 C ATOM 832 C ARG A 70 -2.238 7.271 6.669 1.00 10.00 C ATOM 833 O ARG A 70 -1.476 8.148 7.078 1.00 10.00 O ATOM 834 CB ARG A 70 -4.620 8.065 6.808 1.00 10.00 C ATOM 835 CG ARG A 70 -4.287 9.510 7.160 1.00 10.00 C ATOM 836 CD ARG A 70 -5.482 10.431 6.948 1.00 10.00 C ATOM 837 NE ARG A 70 -5.906 10.486 5.546 1.00 10.00 N ATOM 838 CZ ARG A 70 -7.100 10.078 5.109 1.00 10.00 C ATOM 839 NH1 ARG A 70 -7.992 9.585 5.956 1.00 10.00 N ATOM 840 NH2 ARG A 70 -7.408 10.173 3.822 1.00 10.00 N ATOM 0 H ARG A 70 -3.541 8.053 9.161 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.934 6.040 7.057 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -4.693 7.974 5.724 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -5.601 7.820 7.215 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -3.964 9.566 8.200 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -3.452 9.851 6.548 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -6.314 10.088 7.563 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -5.227 11.435 7.287 1.00 10.00 H new ATOM 0 HE ARG A 70 -5.248 10.859 4.862 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -7.768 9.515 6.949 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -8.902 9.275 5.615 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -6.732 10.559 3.163 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -8.321 9.860 3.492 1.00 10.00 H new ATOM 854 N ILE A 71 -1.940 6.466 5.657 1.00 10.00 N ATOM 855 CA ILE A 71 -0.682 6.579 4.931 1.00 10.00 C ATOM 856 C ILE A 71 -0.688 7.832 4.061 1.00 10.00 C ATOM 857 O ILE A 71 -1.530 7.984 3.171 1.00 10.00 O ATOM 858 CB ILE A 71 -0.419 5.335 4.049 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.378 4.064 4.909 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.877 5.492 3.262 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.731 4.056 5.941 1.00 10.00 C ATOM 0 H ILE A 71 -2.555 5.725 5.320 1.00 10.00 H new ATOM 0 HA ILE A 71 0.118 6.648 5.668 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.239 5.243 3.337 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.335 3.951 5.418 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.260 3.199 4.256 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.040 4.605 2.650 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.808 6.369 2.619 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.710 5.614 3.954 1.00 10.00 H new ATOM 0 HD11 ILE A 71 0.694 3.126 6.508 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.695 4.137 5.439 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.603 4.900 6.619 1.00 10.00 H new ATOM 873 N ALA A 72 0.248 8.725 4.328 1.00 10.00 N ATOM 874 CA ALA A 72 0.358 9.972 3.591 1.00 10.00 C ATOM 875 C ALA A 72 1.132 9.777 2.295 1.00 10.00 C ATOM 876 O ALA A 72 1.864 8.803 2.138 1.00 10.00 O ATOM 877 CB ALA A 72 1.027 11.032 4.452 1.00 10.00 C ATOM 0 H ALA A 72 0.950 8.608 5.058 1.00 10.00 H new ATOM 0 HA ALA A 72 -0.648 10.306 3.335 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.104 11.962 3.889 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.433 11.199 5.350 1.00 10.00 H new ATOM 0 HB3 ALA A 72 2.024 10.695 4.734 1.00 10.00 H new ATOM 883 N ASP A 73 0.969 10.717 1.375 1.00 10.00 N ATOM 884 CA ASP A 73 1.645 10.660 0.082 1.00 10.00 C ATOM 885 C ASP A 73 3.136 10.937 0.233 1.00 10.00 C ATOM 886 O ASP A 73 3.928 10.646 -0.662 1.00 10.00 O ATOM 887 CB ASP A 73 1.030 11.676 -0.884 1.00 10.00 C ATOM 888 CG ASP A 73 -0.217 11.154 -1.568 1.00 10.00 C ATOM 889 OD1 ASP A 73 -1.121 10.658 -0.867 1.00 10.00 O ATOM 890 OD2 ASP A 73 -0.305 11.259 -2.810 1.00 10.00 O ATOM 0 H ASP A 73 0.371 11.534 1.499 1.00 10.00 H new ATOM 0 HA ASP A 73 1.516 9.655 -0.320 1.00 10.00 H new ATOM 0 HB2 ASP A 73 0.785 12.587 -0.339 1.00 10.00 H new ATOM 0 HB3 ASP A 73 1.768 11.945 -1.640 1.00 10.00 H new ATOM 895 N ASN A 74 3.512 11.501 1.372 1.00 10.00 N ATOM 896 CA ASN A 74 4.909 11.818 1.649 1.00 10.00 C ATOM 897 C ASN A 74 5.485 10.856 2.684 1.00 10.00 C ATOM 898 O ASN A 74 6.509 11.133 3.310 1.00 10.00 O ATOM 899 CB ASN A 74 5.047 13.268 2.130 1.00 10.00 C ATOM 900 CG ASN A 74 4.381 13.514 3.470 1.00 10.00 C ATOM 901 OD1 ASN A 74 3.157 13.615 3.560 1.00 10.00 O ATOM 902 ND2 ASN A 74 5.179 13.626 4.519 1.00 10.00 N ATOM 0 H ASN A 74 2.868 11.750 2.123 1.00 10.00 H new ATOM 0 HA ASN A 74 5.474 11.705 0.724 1.00 10.00 H new ATOM 0 HB2 ASN A 74 6.105 13.521 2.204 1.00 10.00 H new ATOM 0 HB3 ASN A 74 4.611 13.935 1.386 1.00 10.00 H new ATOM 0 HD21 ASN A 74 4.785 13.802 5.443 1.00 10.00 H new ATOM 0 HD22 ASN A 74 6.188 13.536 4.404 1.00 10.00 H new ATOM 909 N HIS A 75 4.823 9.721 2.857 1.00 10.00 N ATOM 910 CA HIS A 75 5.268 8.714 3.809 1.00 10.00 C ATOM 911 C HIS A 75 6.299 7.791 3.173 1.00 10.00 C ATOM 912 O HIS A 75 6.283 7.557 1.961 1.00 10.00 O ATOM 913 CB HIS A 75 4.083 7.883 4.317 1.00 10.00 C ATOM 914 CG HIS A 75 3.493 8.367 5.606 1.00 10.00 C ATOM 915 ND1 HIS A 75 2.290 7.884 6.066 1.00 10.00 N ATOM 916 CD2 HIS A 75 3.971 9.272 6.491 1.00 10.00 C ATOM 917 CE1 HIS A 75 2.067 8.500 7.211 1.00 10.00 C ATOM 918 NE2 HIS A 75 3.057 9.348 7.507 1.00 10.00 N ATOM 0 H HIS A 75 3.974 9.474 2.349 1.00 10.00 H new ATOM 0 HA HIS A 75 5.725 9.233 4.652 1.00 10.00 H new ATOM 0 HB2 HIS A 75 3.304 7.879 3.554 1.00 10.00 H new ATOM 0 HB3 HIS A 75 4.408 6.851 4.446 1.00 10.00 H new ATOM 0 HD2 HIS A 75 4.894 9.827 6.411 1.00 10.00 H new ATOM 0 HE1 HIS A 75 1.196 8.340 7.830 1.00 10.00 H new ATOM 0 HE2 HIS A 75 3.120 9.941 8.335 1.00 10.00 H new ATOM 926 N THR A 76 7.199 7.279 3.994 1.00 10.00 N ATOM 927 CA THR A 76 8.226 6.365 3.533 1.00 10.00 C ATOM 928 C THR A 76 8.105 5.033 4.269 1.00 10.00 C ATOM 929 O THR A 76 7.674 4.999 5.421 1.00 10.00 O ATOM 930 CB THR A 76 9.636 6.952 3.756 1.00 10.00 C ATOM 931 OG1 THR A 76 9.779 7.404 5.110 1.00 10.00 O ATOM 932 CG2 THR A 76 9.905 8.108 2.803 1.00 10.00 C ATOM 0 H THR A 76 7.238 7.484 4.992 1.00 10.00 H new ATOM 0 HA THR A 76 8.083 6.209 2.464 1.00 10.00 H new ATOM 0 HB THR A 76 10.361 6.162 3.559 1.00 10.00 H new ATOM 0 HG1 THR A 76 9.045 8.015 5.330 1.00 10.00 H new ATOM 0 HG21 THR A 76 10.905 8.502 2.982 1.00 10.00 H new ATOM 0 HG22 THR A 76 9.833 7.756 1.774 1.00 10.00 H new ATOM 0 HG23 THR A 76 9.170 8.895 2.969 1.00 10.00 H new ATOM 940 N PRO A 77 8.474 3.915 3.619 1.00 10.00 N ATOM 941 CA PRO A 77 8.402 2.582 4.236 1.00 10.00 C ATOM 942 C PRO A 77 9.342 2.432 5.434 1.00 10.00 C ATOM 943 O PRO A 77 9.238 1.479 6.206 1.00 10.00 O ATOM 944 CB PRO A 77 8.831 1.633 3.110 1.00 10.00 C ATOM 945 CG PRO A 77 8.705 2.422 1.854 1.00 10.00 C ATOM 946 CD PRO A 77 8.970 3.848 2.235 1.00 10.00 C ATOM 0 HA PRO A 77 7.405 2.381 4.628 1.00 10.00 H new ATOM 0 HB2 PRO A 77 9.855 1.289 3.256 1.00 10.00 H new ATOM 0 HB3 PRO A 77 8.198 0.746 3.082 1.00 10.00 H new ATOM 0 HG2 PRO A 77 9.418 2.079 1.104 1.00 10.00 H new ATOM 0 HG3 PRO A 77 7.710 2.312 1.422 1.00 10.00 H new ATOM 0 HD2 PRO A 77 10.030 4.092 2.173 1.00 10.00 H new ATOM 0 HD3 PRO A 77 8.444 4.545 1.583 1.00 10.00 H new ATOM 954 N LYS A 78 10.262 3.377 5.581 1.00 10.00 N ATOM 955 CA LYS A 78 11.222 3.347 6.676 1.00 10.00 C ATOM 956 C LYS A 78 10.599 3.860 7.972 1.00 10.00 C ATOM 957 O LYS A 78 10.837 3.303 9.046 1.00 10.00 O ATOM 958 CB LYS A 78 12.456 4.184 6.320 1.00 10.00 C ATOM 959 CG LYS A 78 13.488 4.280 7.439 1.00 10.00 C ATOM 960 CD LYS A 78 14.195 2.952 7.679 1.00 10.00 C ATOM 961 CE LYS A 78 15.153 2.613 6.549 1.00 10.00 C ATOM 962 NZ LYS A 78 16.096 1.524 6.925 1.00 10.00 N ATOM 0 H LYS A 78 10.363 4.175 4.954 1.00 10.00 H new ATOM 0 HA LYS A 78 11.523 2.311 6.831 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.931 3.754 5.438 1.00 10.00 H new ATOM 0 HB3 LYS A 78 12.134 5.190 6.050 1.00 10.00 H new ATOM 0 HG2 LYS A 78 14.225 5.043 7.188 1.00 10.00 H new ATOM 0 HG3 LYS A 78 12.997 4.601 8.358 1.00 10.00 H new ATOM 0 HD2 LYS A 78 14.743 2.997 8.620 1.00 10.00 H new ATOM 0 HD3 LYS A 78 13.455 2.158 7.779 1.00 10.00 H new ATOM 0 HE2 LYS A 78 14.584 2.312 5.669 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.718 3.503 6.274 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 16.732 1.324 6.126 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 16.658 1.820 7.749 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 15.558 0.666 7.163 1.00 10.00 H new ATOM 976 N GLU A 79 9.793 4.910 7.870 1.00 10.00 N ATOM 977 CA GLU A 79 9.157 5.498 9.043 1.00 10.00 C ATOM 978 C GLU A 79 7.937 4.684 9.472 1.00 10.00 C ATOM 979 O GLU A 79 7.585 3.694 8.820 1.00 10.00 O ATOM 980 CB GLU A 79 8.756 6.952 8.763 1.00 10.00 C ATOM 981 CG GLU A 79 7.562 7.097 7.837 1.00 10.00 C ATOM 982 CD GLU A 79 7.371 8.519 7.361 1.00 10.00 C ATOM 983 OE1 GLU A 79 6.865 9.355 8.140 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.736 8.812 6.205 1.00 10.00 O ATOM 0 H GLU A 79 9.565 5.371 6.989 1.00 10.00 H new ATOM 0 HA GLU A 79 9.878 5.484 9.860 1.00 10.00 H new ATOM 0 HB2 GLU A 79 8.531 7.444 9.709 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.607 7.475 8.326 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.693 6.443 6.975 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.662 6.766 8.355 1.00 10.00 H new ATOM 991 N LEU A 80 7.317 5.105 10.580 1.00 10.00 N ATOM 992 CA LEU A 80 6.131 4.451 11.149 1.00 10.00 C ATOM 993 C LEU A 80 6.491 3.116 11.798 1.00 10.00 C ATOM 994 O LEU A 80 6.167 2.875 12.961 1.00 10.00 O ATOM 995 CB LEU A 80 5.033 4.257 10.095 1.00 10.00 C ATOM 996 CG LEU A 80 4.286 5.530 9.689 1.00 10.00 C ATOM 997 CD1 LEU A 80 3.449 5.286 8.444 1.00 10.00 C ATOM 998 CD2 LEU A 80 3.408 6.019 10.831 1.00 10.00 C ATOM 0 H LEU A 80 7.627 5.918 11.113 1.00 10.00 H new ATOM 0 HA LEU A 80 5.741 5.112 11.923 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.481 3.818 9.204 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.309 3.536 10.476 1.00 10.00 H new ATOM 0 HG LEU A 80 5.022 6.301 9.463 1.00 10.00 H new ATOM 0 HD11 LEU A 80 2.926 6.203 8.172 1.00 10.00 H new ATOM 0 HD12 LEU A 80 4.098 4.981 7.623 1.00 10.00 H new ATOM 0 HD13 LEU A 80 2.722 4.499 8.643 1.00 10.00 H new ATOM 0 HD21 LEU A 80 2.884 6.925 10.525 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.681 5.248 11.087 1.00 10.00 H new ATOM 0 HD23 LEU A 80 4.029 6.235 11.701 1.00 10.00 H new ATOM 1010 N GLY A 81 7.161 2.257 11.048 1.00 10.00 N ATOM 1011 CA GLY A 81 7.554 0.966 11.569 1.00 10.00 C ATOM 1012 C GLY A 81 7.107 -0.179 10.684 1.00 10.00 C ATOM 1013 O GLY A 81 6.646 -1.205 11.179 1.00 10.00 O ATOM 0 H GLY A 81 7.441 2.432 10.083 1.00 10.00 H new ATOM 0 HA2 GLY A 81 8.638 0.936 11.676 1.00 10.00 H new ATOM 0 HA3 GLY A 81 7.132 0.836 12.566 1.00 10.00 H new ATOM 1017 N MET A 82 7.235 -0.006 9.375 1.00 10.00 N ATOM 1018 CA MET A 82 6.849 -1.047 8.430 1.00 10.00 C ATOM 1019 C MET A 82 7.831 -2.206 8.500 1.00 10.00 C ATOM 1020 O MET A 82 9.030 -2.004 8.727 1.00 10.00 O ATOM 1021 CB MET A 82 6.788 -0.497 7.004 1.00 10.00 C ATOM 1022 CG MET A 82 5.385 -0.144 6.544 1.00 10.00 C ATOM 1023 SD MET A 82 5.335 0.371 4.815 1.00 10.00 S ATOM 1024 CE MET A 82 3.596 0.763 4.640 1.00 10.00 C ATOM 0 H MET A 82 7.602 0.842 8.944 1.00 10.00 H new ATOM 0 HA MET A 82 5.855 -1.403 8.702 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.416 0.392 6.940 1.00 10.00 H new ATOM 0 HB3 MET A 82 7.209 -1.235 6.321 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.733 -1.006 6.682 1.00 10.00 H new ATOM 0 HG3 MET A 82 4.991 0.657 7.170 1.00 10.00 H new ATOM 0 HE1 MET A 82 3.399 1.099 3.622 1.00 10.00 H new ATOM 0 HE2 MET A 82 3.000 -0.125 4.851 1.00 10.00 H new ATOM 0 HE3 MET A 82 3.329 1.554 5.341 1.00 10.00 H new ATOM 1034 N GLU A 83 7.327 -3.417 8.318 1.00 10.00 N ATOM 1035 CA GLU A 83 8.164 -4.605 8.373 1.00 10.00 C ATOM 1036 C GLU A 83 7.647 -5.680 7.429 1.00 10.00 C ATOM 1037 O GLU A 83 6.586 -5.536 6.825 1.00 10.00 O ATOM 1038 CB GLU A 83 8.213 -5.148 9.803 1.00 10.00 C ATOM 1039 CG GLU A 83 9.568 -4.979 10.471 1.00 10.00 C ATOM 1040 CD GLU A 83 10.577 -6.017 10.025 1.00 10.00 C ATOM 1041 OE1 GLU A 83 10.686 -6.271 8.808 1.00 10.00 O ATOM 1042 OE2 GLU A 83 11.275 -6.585 10.892 1.00 10.00 O ATOM 0 H GLU A 83 6.342 -3.603 8.131 1.00 10.00 H new ATOM 0 HA GLU A 83 9.170 -4.326 8.059 1.00 10.00 H new ATOM 0 HB2 GLU A 83 7.456 -4.641 10.402 1.00 10.00 H new ATOM 0 HB3 GLU A 83 7.953 -6.206 9.790 1.00 10.00 H new ATOM 0 HG2 GLU A 83 9.955 -3.984 10.250 1.00 10.00 H new ATOM 0 HG3 GLU A 83 9.445 -5.040 11.552 1.00 10.00 H new ATOM 1049 N GLU A 84 8.416 -6.752 7.310 1.00 10.00 N ATOM 1050 CA GLU A 84 8.058 -7.873 6.456 1.00 10.00 C ATOM 1051 C GLU A 84 6.892 -8.648 7.071 1.00 10.00 C ATOM 1052 O GLU A 84 6.848 -8.848 8.288 1.00 10.00 O ATOM 1053 CB GLU A 84 9.280 -8.782 6.267 1.00 10.00 C ATOM 1054 CG GLU A 84 8.992 -10.092 5.548 1.00 10.00 C ATOM 1055 CD GLU A 84 8.795 -9.926 4.054 1.00 10.00 C ATOM 1056 OE1 GLU A 84 9.300 -8.935 3.483 1.00 10.00 O ATOM 1057 OE2 GLU A 84 8.155 -10.804 3.440 1.00 10.00 O ATOM 0 H GLU A 84 9.302 -6.869 7.801 1.00 10.00 H new ATOM 0 HA GLU A 84 7.743 -7.503 5.480 1.00 10.00 H new ATOM 0 HB2 GLU A 84 10.039 -8.236 5.708 1.00 10.00 H new ATOM 0 HB3 GLU A 84 9.704 -9.006 7.246 1.00 10.00 H new ATOM 0 HG2 GLU A 84 9.816 -10.784 5.724 1.00 10.00 H new ATOM 0 HG3 GLU A 84 8.098 -10.545 5.977 1.00 10.00 H new ATOM 1064 N GLU A 85 5.945 -9.051 6.220 1.00 10.00 N ATOM 1065 CA GLU A 85 4.765 -9.809 6.643 1.00 10.00 C ATOM 1066 C GLU A 85 3.818 -8.946 7.470 1.00 10.00 C ATOM 1067 O GLU A 85 3.009 -9.459 8.245 1.00 10.00 O ATOM 1068 CB GLU A 85 5.165 -11.059 7.435 1.00 10.00 C ATOM 1069 CG GLU A 85 5.782 -12.151 6.576 1.00 10.00 C ATOM 1070 CD GLU A 85 4.806 -12.716 5.569 1.00 10.00 C ATOM 1071 OE1 GLU A 85 4.623 -12.102 4.501 1.00 10.00 O ATOM 1072 OE2 GLU A 85 4.228 -13.790 5.838 1.00 10.00 O ATOM 0 H GLU A 85 5.975 -8.861 5.218 1.00 10.00 H new ATOM 0 HA GLU A 85 4.242 -10.123 5.740 1.00 10.00 H new ATOM 0 HB2 GLU A 85 5.875 -10.775 8.212 1.00 10.00 H new ATOM 0 HB3 GLU A 85 4.284 -11.458 7.938 1.00 10.00 H new ATOM 0 HG2 GLU A 85 6.649 -11.750 6.051 1.00 10.00 H new ATOM 0 HG3 GLU A 85 6.142 -12.954 7.219 1.00 10.00 H new ATOM 1079 N ASP A 86 3.910 -7.636 7.293 1.00 10.00 N ATOM 1080 CA ASP A 86 3.055 -6.714 8.025 1.00 10.00 C ATOM 1081 C ASP A 86 1.717 -6.559 7.321 1.00 10.00 C ATOM 1082 O ASP A 86 1.641 -6.634 6.096 1.00 10.00 O ATOM 1083 CB ASP A 86 3.730 -5.355 8.177 1.00 10.00 C ATOM 1084 CG ASP A 86 3.154 -4.558 9.324 1.00 10.00 C ATOM 1085 OD1 ASP A 86 2.440 -5.151 10.164 1.00 10.00 O ATOM 1086 OD2 ASP A 86 3.421 -3.343 9.403 1.00 10.00 O ATOM 0 H ASP A 86 4.565 -7.189 6.652 1.00 10.00 H new ATOM 0 HA ASP A 86 2.883 -7.126 9.019 1.00 10.00 H new ATOM 0 HB2 ASP A 86 4.799 -5.498 8.336 1.00 10.00 H new ATOM 0 HB3 ASP A 86 3.618 -4.790 7.252 1.00 10.00 H new ATOM 1091 N VAL A 87 0.668 -6.335 8.094 1.00 10.00 N ATOM 1092 CA VAL A 87 -0.671 -6.195 7.537 1.00 10.00 C ATOM 1093 C VAL A 87 -1.067 -4.726 7.402 1.00 10.00 C ATOM 1094 O VAL A 87 -0.795 -3.913 8.287 1.00 10.00 O ATOM 1095 CB VAL A 87 -1.724 -6.924 8.404 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -3.034 -7.076 7.647 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -1.203 -8.281 8.856 1.00 10.00 C ATOM 0 H VAL A 87 0.715 -6.246 9.109 1.00 10.00 H new ATOM 0 HA VAL A 87 -0.647 -6.652 6.548 1.00 10.00 H new ATOM 0 HB VAL A 87 -1.912 -6.318 9.291 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -3.760 -7.591 8.276 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -3.418 -6.091 7.383 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -2.865 -7.655 6.739 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -1.959 -8.777 9.464 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -0.980 -8.894 7.983 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -0.296 -8.145 9.445 1.00 10.00 H new ATOM 1107 N ILE A 88 -1.706 -4.396 6.289 1.00 10.00 N ATOM 1108 CA ILE A 88 -2.157 -3.036 6.034 1.00 10.00 C ATOM 1109 C ILE A 88 -3.642 -3.045 5.670 1.00 10.00 C ATOM 1110 O ILE A 88 -4.130 -3.993 5.045 1.00 10.00 O ATOM 1111 CB ILE A 88 -1.327 -2.367 4.908 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -1.766 -0.914 4.695 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -1.440 -3.158 3.611 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -0.852 -0.131 3.774 1.00 10.00 C ATOM 0 H ILE A 88 -1.925 -5.057 5.543 1.00 10.00 H new ATOM 0 HA ILE A 88 -2.012 -2.450 6.942 1.00 10.00 H new ATOM 0 HB ILE A 88 -0.282 -2.364 5.216 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.776 -0.905 4.284 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -1.811 -0.412 5.661 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -0.850 -2.671 2.835 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -1.067 -4.170 3.768 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -2.484 -3.200 3.300 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.226 0.888 3.671 1.00 10.00 H new ATOM 0 HD12 ILE A 88 0.154 -0.108 4.193 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.826 -0.609 2.795 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.366 -2.015 6.083 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.792 -1.925 5.796 1.00 10.00 C ATOM 1128 C GLU A 89 -6.050 -0.928 4.674 1.00 10.00 C ATOM 1129 O GLU A 89 -5.316 0.048 4.519 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.571 -1.498 7.043 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.050 -2.094 8.341 1.00 10.00 C ATOM 1132 CD GLU A 89 -6.865 -1.661 9.540 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -6.701 -0.510 9.997 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -7.683 -2.464 10.030 1.00 10.00 O ATOM 0 H GLU A 89 -3.991 -1.231 6.617 1.00 10.00 H new ATOM 0 HA GLU A 89 -6.132 -2.913 5.485 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.544 -0.411 7.119 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.616 -1.783 6.920 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.063 -3.182 8.270 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -5.011 -1.796 8.484 1.00 10.00 H new ATOM 1141 N VAL A 90 -7.087 -1.178 3.893 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.446 -0.296 2.797 1.00 10.00 C ATOM 1143 C VAL A 90 -8.959 -0.315 2.582 1.00 10.00 C ATOM 1144 O VAL A 90 -9.563 -1.378 2.430 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.703 -0.673 1.490 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -6.963 -2.124 1.098 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.085 0.271 0.360 1.00 10.00 C ATOM 0 H VAL A 90 -7.697 -1.988 3.999 1.00 10.00 H new ATOM 0 HA VAL A 90 -7.138 0.715 3.065 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.634 -0.569 1.676 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.427 -2.354 0.177 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.617 -2.784 1.894 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -8.031 -2.273 0.942 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.551 -0.013 -0.547 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.159 0.211 0.183 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -6.819 1.292 0.633 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.570 0.862 2.612 1.00 10.00 N ATOM 1158 CA TYR A 91 -11.014 0.984 2.429 1.00 10.00 C ATOM 1159 C TYR A 91 -11.336 2.183 1.550 1.00 10.00 C ATOM 1160 O TYR A 91 -10.572 3.140 1.502 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.721 1.136 3.779 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.499 -0.023 4.726 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -12.219 -1.203 4.591 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -10.568 0.065 5.753 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -12.018 -2.264 5.455 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -10.360 -0.991 6.619 1.00 10.00 C ATOM 1167 CZ TYR A 91 -11.087 -2.153 6.465 1.00 10.00 C ATOM 1168 OH TYR A 91 -10.883 -3.203 7.332 1.00 10.00 O ATOM 0 H TYR A 91 -9.089 1.749 2.762 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.370 0.075 1.944 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -11.376 2.053 4.257 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.791 1.250 3.606 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -12.947 -1.293 3.799 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -9.998 0.974 5.877 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -12.587 -3.174 5.339 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -9.632 -0.907 7.412 1.00 10.00 H new ATOM 0 HH TYR A 91 -10.192 -2.960 7.983 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.465 2.129 0.864 1.00 10.00 N ATOM 1179 CA GLN A 92 -12.887 3.213 -0.012 1.00 10.00 C ATOM 1180 C GLN A 92 -13.263 4.452 0.800 1.00 10.00 C ATOM 1181 O GLN A 92 -13.927 4.346 1.833 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.076 2.760 -0.862 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.579 3.809 -1.838 1.00 10.00 C ATOM 1184 CD GLN A 92 -15.726 3.301 -2.687 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -15.519 2.774 -3.782 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -16.940 3.446 -2.182 1.00 10.00 N ATOM 0 H GLN A 92 -13.111 1.341 0.896 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.055 3.474 -0.667 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -13.791 1.868 -1.420 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -14.893 2.474 -0.200 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -14.902 4.691 -1.285 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -13.760 4.121 -2.486 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -17.064 3.888 -1.271 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -17.752 3.115 -2.703 1.00 10.00 H new ATOM 1195 N GLU A 93 -12.824 5.618 0.340 1.00 10.00 N ATOM 1196 CA GLU A 93 -13.121 6.873 1.020 1.00 10.00 C ATOM 1197 C GLU A 93 -14.570 7.280 0.774 1.00 10.00 C ATOM 1198 O GLU A 93 -15.249 6.698 -0.069 1.00 10.00 O ATOM 1199 CB GLU A 93 -12.178 7.979 0.539 1.00 10.00 C ATOM 1200 CG GLU A 93 -10.764 7.853 1.086 1.00 10.00 C ATOM 1201 CD GLU A 93 -10.641 8.331 2.520 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -11.463 7.920 3.367 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -9.717 9.123 2.813 1.00 10.00 O ATOM 0 H GLU A 93 -12.260 5.720 -0.503 1.00 10.00 H new ATOM 0 HA GLU A 93 -12.973 6.727 2.090 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -12.140 7.965 -0.550 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -12.587 8.946 0.831 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -10.449 6.811 1.027 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -10.084 8.428 0.457 1.00 10.00 H new ATOM 1210 N GLN A 94 -15.036 8.282 1.508 1.00 10.00 N ATOM 1211 CA GLN A 94 -16.409 8.754 1.363 1.00 10.00 C ATOM 1212 C GLN A 94 -16.598 9.459 0.024 1.00 10.00 C ATOM 1213 O GLN A 94 -17.664 9.377 -0.588 1.00 10.00 O ATOM 1214 CB GLN A 94 -16.772 9.699 2.507 1.00 10.00 C ATOM 1215 CG GLN A 94 -18.267 9.934 2.657 1.00 10.00 C ATOM 1216 CD GLN A 94 -18.591 10.928 3.749 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -17.823 11.856 4.005 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -19.722 10.740 4.410 1.00 10.00 N ATOM 0 H GLN A 94 -14.487 8.782 2.207 1.00 10.00 H new ATOM 0 HA GLN A 94 -17.071 7.889 1.397 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -16.382 9.292 3.440 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -16.277 10.657 2.346 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -18.671 10.294 1.711 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -18.760 8.987 2.875 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -20.331 9.959 4.167 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -19.985 11.376 5.163 1.00 10.00 H new ATOM 1227 N THR A 95 -15.558 10.144 -0.427 1.00 10.00 N ATOM 1228 CA THR A 95 -15.603 10.860 -1.691 1.00 10.00 C ATOM 1229 C THR A 95 -15.588 9.891 -2.871 1.00 10.00 C ATOM 1230 O THR A 95 -16.352 10.047 -3.826 1.00 10.00 O ATOM 1231 CB THR A 95 -14.412 11.820 -1.802 1.00 10.00 C ATOM 1232 OG1 THR A 95 -13.382 11.400 -0.897 1.00 10.00 O ATOM 1233 CG2 THR A 95 -14.835 13.243 -1.478 1.00 10.00 C ATOM 0 H THR A 95 -14.669 10.219 0.067 1.00 10.00 H new ATOM 0 HA THR A 95 -16.532 11.430 -1.719 1.00 10.00 H new ATOM 0 HB THR A 95 -14.036 11.800 -2.825 1.00 10.00 H new ATOM 0 HG1 THR A 95 -12.618 12.010 -0.966 1.00 10.00 H new ATOM 0 HG21 THR A 95 -13.975 13.907 -1.563 1.00 10.00 H new ATOM 0 HG22 THR A 95 -15.609 13.561 -2.177 1.00 10.00 H new ATOM 0 HG23 THR A 95 -15.226 13.284 -0.461 1.00 10.00 H new ATOM 1241 N GLY A 96 -14.726 8.883 -2.790 1.00 10.00 N ATOM 1242 CA GLY A 96 -14.624 7.905 -3.855 1.00 10.00 C ATOM 1243 C GLY A 96 -13.854 8.432 -5.048 1.00 10.00 C ATOM 1244 O GLY A 96 -14.187 8.129 -6.192 1.00 10.00 O ATOM 0 H GLY A 96 -14.095 8.727 -2.004 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -14.133 7.008 -3.476 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -15.625 7.611 -4.172 1.00 10.00 H new ATOM 1248 N GLY A 97 -12.832 9.230 -4.780 1.00 10.00 N ATOM 1249 CA GLY A 97 -12.025 9.788 -5.848 1.00 10.00 C ATOM 1250 C GLY A 97 -11.322 11.057 -5.423 1.00 10.00 C ATOM 1251 O GLY A 97 -11.339 11.404 -4.238 1.00 10.00 O ATOM 0 H GLY A 97 -12.545 9.503 -3.840 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -11.286 9.053 -6.166 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -12.658 9.996 -6.710 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASP B 195 -7.264 -20.574 -3.490 1.00 10.00 N ATOM 1257 CA ASP B 195 -7.447 -19.132 -3.339 1.00 10.00 C ATOM 1258 C ASP B 195 -6.611 -18.382 -4.378 1.00 10.00 C ATOM 1259 O ASP B 195 -5.891 -19.007 -5.165 1.00 10.00 O ATOM 1260 CB ASP B 195 -7.055 -18.691 -1.930 1.00 10.00 C ATOM 1261 CG ASP B 195 -7.889 -17.520 -1.449 1.00 10.00 C ATOM 1262 OD1 ASP B 195 -8.884 -17.749 -0.737 1.00 10.00 O ATOM 1263 OD2 ASP B 195 -7.555 -16.363 -1.785 1.00 10.00 O ATOM 0 HA ASP B 195 -8.499 -18.896 -3.498 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -7.174 -19.528 -1.242 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -6.001 -18.415 -1.917 1.00 10.00 H new ATOM 1268 N THR B 196 -6.700 -17.063 -4.388 1.00 10.00 N ATOM 1269 CA THR B 196 -5.945 -16.273 -5.346 1.00 10.00 C ATOM 1270 C THR B 196 -4.985 -15.314 -4.655 1.00 10.00 C ATOM 1271 O THR B 196 -5.375 -14.551 -3.775 1.00 10.00 O ATOM 1272 CB THR B 196 -6.884 -15.466 -6.255 1.00 10.00 C ATOM 1273 OG1 THR B 196 -8.243 -15.865 -6.037 1.00 10.00 O ATOM 1274 CG2 THR B 196 -6.519 -15.655 -7.717 1.00 10.00 C ATOM 0 H THR B 196 -7.282 -16.520 -3.750 1.00 10.00 H new ATOM 0 HA THR B 196 -5.369 -16.977 -5.946 1.00 10.00 H new ATOM 0 HB THR B 196 -6.774 -14.410 -6.006 1.00 10.00 H new ATOM 0 HG1 THR B 196 -8.834 -15.344 -6.619 1.00 10.00 H new ATOM 0 HG21 THR B 196 -7.199 -15.073 -8.340 1.00 10.00 H new ATOM 0 HG22 THR B 196 -5.496 -15.318 -7.883 1.00 10.00 H new ATOM 0 HG23 THR B 196 -6.600 -16.710 -7.979 1.00 10.00 H new ATOM 1282 N ALA B 197 -3.728 -15.360 -5.062 1.00 10.00 N ATOM 1283 CA ALA B 197 -2.719 -14.491 -4.504 1.00 10.00 C ATOM 1284 C ALA B 197 -2.084 -13.663 -5.601 1.00 10.00 C ATOM 1285 O ALA B 197 -1.626 -14.197 -6.607 1.00 10.00 O ATOM 1286 CB ALA B 197 -1.669 -15.301 -3.753 1.00 10.00 C ATOM 0 H ALA B 197 -3.385 -15.996 -5.782 1.00 10.00 H new ATOM 0 HA ALA B 197 -3.191 -13.815 -3.791 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -0.917 -14.628 -3.340 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -2.146 -15.853 -2.943 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -1.192 -16.002 -4.438 1.00 10.00 H new ATOM 1292 N GLY B 198 -2.038 -12.362 -5.388 1.00 10.00 N ATOM 1293 CA GLY B 198 -1.470 -11.468 -6.366 1.00 10.00 C ATOM 1294 C GLY B 198 -0.293 -10.710 -5.814 1.00 10.00 C ATOM 1295 O GLY B 198 -0.360 -10.192 -4.700 1.00 10.00 O ATOM 0 H GLY B 198 -2.388 -11.905 -4.546 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -1.157 -12.038 -7.241 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -2.232 -10.763 -6.700 1.00 10.00 H new ATOM 1299 N CYS B 199 0.800 -10.673 -6.562 1.00 10.00 N ATOM 1300 CA CYS B 199 1.974 -9.955 -6.103 1.00 10.00 C ATOM 1301 C CYS B 199 2.293 -8.812 -7.060 1.00 10.00 C ATOM 1302 O CYS B 199 2.420 -9.016 -8.270 1.00 10.00 O ATOM 1303 CB CYS B 199 3.177 -10.900 -5.989 1.00 10.00 C ATOM 1304 SG CYS B 199 2.744 -12.624 -5.644 1.00 10.00 S ATOM 0 H CYS B 199 0.896 -11.123 -7.472 1.00 10.00 H new ATOM 0 HA CYS B 199 1.765 -9.545 -5.115 1.00 10.00 H new ATOM 0 HB2 CYS B 199 3.745 -10.860 -6.919 1.00 10.00 H new ATOM 0 HB3 CYS B 199 3.834 -10.538 -5.198 1.00 10.00 H new ATOM 0 HG CYS B 199 3.828 -13.337 -5.570 1.00 10.00 H new ATOM 1310 N ILE B 200 2.410 -7.611 -6.509 1.00 10.00 N ATOM 1311 CA ILE B 200 2.695 -6.428 -7.306 1.00 10.00 C ATOM 1312 C ILE B 200 3.977 -5.742 -6.844 1.00 10.00 C ATOM 1313 O ILE B 200 4.148 -5.459 -5.653 1.00 10.00 O ATOM 1314 CB ILE B 200 1.497 -5.437 -7.275 1.00 10.00 C ATOM 1315 CG1 ILE B 200 1.924 -3.993 -7.598 1.00 10.00 C ATOM 1316 CG2 ILE B 200 0.787 -5.486 -5.927 1.00 10.00 C ATOM 1317 CD1 ILE B 200 0.758 -3.025 -7.667 1.00 10.00 C ATOM 0 H ILE B 200 2.311 -7.431 -5.510 1.00 10.00 H new ATOM 0 HA ILE B 200 2.844 -6.752 -8.336 1.00 10.00 H new ATOM 0 HB ILE B 200 0.805 -5.756 -8.054 1.00 10.00 H new ATOM 0 HG12 ILE B 200 2.627 -3.651 -6.839 1.00 10.00 H new ATOM 0 HG13 ILE B 200 2.453 -3.982 -8.551 1.00 10.00 H new ATOM 0 HG21 ILE B 200 -0.047 -4.784 -5.929 1.00 10.00 H new ATOM 0 HG22 ILE B 200 0.413 -6.494 -5.749 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.487 -5.214 -5.137 1.00 10.00 H new ATOM 0 HD11 ILE B 200 1.128 -2.026 -7.898 1.00 10.00 H new ATOM 0 HD12 ILE B 200 0.065 -3.345 -8.446 1.00 10.00 H new ATOM 0 HD13 ILE B 200 0.242 -3.008 -6.707 1.00 10.00 H new ATOM 1329 N VAL B 201 4.876 -5.480 -7.789 1.00 10.00 N ATOM 1330 CA VAL B 201 6.137 -4.822 -7.490 1.00 10.00 C ATOM 1331 C VAL B 201 6.245 -3.509 -8.262 1.00 10.00 C ATOM 1332 O VAL B 201 5.979 -3.443 -9.464 1.00 10.00 O ATOM 1333 CB VAL B 201 7.368 -5.719 -7.777 1.00 10.00 C ATOM 1334 CG1 VAL B 201 7.623 -5.858 -9.274 1.00 10.00 C ATOM 1335 CG2 VAL B 201 8.595 -5.164 -7.069 1.00 10.00 C ATOM 0 H VAL B 201 4.750 -5.717 -8.773 1.00 10.00 H new ATOM 0 HA VAL B 201 6.140 -4.617 -6.419 1.00 10.00 H new ATOM 0 HB VAL B 201 7.158 -6.716 -7.390 1.00 10.00 H new ATOM 0 HG11 VAL B 201 8.493 -6.493 -9.437 1.00 10.00 H new ATOM 0 HG12 VAL B 201 6.752 -6.306 -9.751 1.00 10.00 H new ATOM 0 HG13 VAL B 201 7.806 -4.874 -9.705 1.00 10.00 H new ATOM 0 HG21 VAL B 201 9.454 -5.801 -7.277 1.00 10.00 H new ATOM 0 HG22 VAL B 201 8.797 -4.155 -7.428 1.00 10.00 H new ATOM 0 HG23 VAL B 201 8.414 -5.138 -5.994 1.00 10.00 H new ATOM 1345 N ILE B 202 6.596 -2.461 -7.546 1.00 10.00 N ATOM 1346 CA ILE B 202 6.735 -1.129 -8.112 1.00 10.00 C ATOM 1347 C ILE B 202 8.151 -0.603 -7.897 1.00 10.00 C ATOM 1348 O ILE B 202 8.747 -0.855 -6.849 1.00 10.00 O ATOM 1349 CB ILE B 202 5.692 -0.133 -7.525 1.00 10.00 C ATOM 1350 CG1 ILE B 202 6.384 1.053 -6.837 1.00 10.00 C ATOM 1351 CG2 ILE B 202 4.764 -0.835 -6.541 1.00 10.00 C ATOM 1352 CD1 ILE B 202 5.708 2.374 -7.073 1.00 10.00 C ATOM 0 H ILE B 202 6.795 -2.507 -6.547 1.00 10.00 H new ATOM 0 HA ILE B 202 6.543 -1.210 -9.182 1.00 10.00 H new ATOM 0 HB ILE B 202 5.099 0.248 -8.356 1.00 10.00 H new ATOM 0 HG12 ILE B 202 6.426 0.864 -5.764 1.00 10.00 H new ATOM 0 HG13 ILE B 202 7.413 1.115 -7.190 1.00 10.00 H new ATOM 0 HG21 ILE B 202 4.045 -0.118 -6.145 1.00 10.00 H new ATOM 0 HG22 ILE B 202 4.233 -1.638 -7.052 1.00 10.00 H new ATOM 0 HG23 ILE B 202 5.350 -1.251 -5.722 1.00 10.00 H new ATOM 0 HD11 ILE B 202 6.256 3.161 -6.555 1.00 10.00 H new ATOM 0 HD12 ILE B 202 5.690 2.588 -8.142 1.00 10.00 H new ATOM 0 HD13 ILE B 202 4.687 2.333 -6.694 1.00 10.00 H new HETATM 1364 N SEP B 203 8.724 0.057 -8.891 1.00 10.00 N HETATM 1365 CA SEP B 203 10.048 0.608 -8.710 1.00 10.00 C HETATM 1366 CB SEP B 203 10.970 0.083 -9.809 1.00 10.00 C HETATM 1367 OG SEP B 203 12.339 0.330 -9.522 1.00 10.00 O HETATM 1368 C SEP B 203 9.983 2.122 -8.751 1.00 10.00 C HETATM 1369 O SEP B 203 9.600 2.737 -9.744 1.00 10.00 O HETATM 1370 P SEP B 203 13.051 -0.402 -8.295 1.00 10.00 P HETATM 1371 O1P SEP B 203 14.506 -0.553 -8.454 1.00 10.00 O HETATM 1372 O2P SEP B 203 12.382 -1.631 -7.840 1.00 10.00 O HETATM 1373 O3P SEP B 203 12.898 0.619 -7.077 1.00 10.00 O HETATM 0 HB3 SEP B 203 10.813 -0.989 -9.931 1.00 10.00 H new HETATM 0 HB2 SEP B 203 10.708 0.554 -10.757 1.00 10.00 H new HETATM 0 HA SEP B 203 10.443 0.304 -7.741 1.00 10.00 H new ATOM 1378 N ASP B 204 10.345 2.706 -7.628 1.00 10.00 N ATOM 1379 CA ASP B 204 10.345 4.142 -7.460 1.00 10.00 C ATOM 1380 C ASP B 204 11.641 4.636 -6.826 1.00 10.00 C ATOM 1381 O ASP B 204 12.087 4.091 -5.827 1.00 10.00 O ATOM 1382 CB ASP B 204 9.136 4.559 -6.652 1.00 10.00 C ATOM 1383 CG ASP B 204 8.670 5.950 -7.008 1.00 10.00 C ATOM 1384 OD1 ASP B 204 9.208 6.530 -7.985 1.00 10.00 O ATOM 1385 OD2 ASP B 204 7.750 6.459 -6.348 1.00 10.00 O ATOM 0 H ASP B 204 10.650 2.193 -6.801 1.00 10.00 H new ATOM 0 HA ASP B 204 10.285 4.607 -8.444 1.00 10.00 H new ATOM 0 HB2 ASP B 204 8.325 3.851 -6.821 1.00 10.00 H new ATOM 0 HB3 ASP B 204 9.378 4.519 -5.590 1.00 10.00 H new HETATM 1390 N SEP B 205 12.245 5.651 -7.396 1.00 10.00 N HETATM 1391 CA SEP B 205 13.498 6.173 -6.864 1.00 10.00 C HETATM 1392 CB SEP B 205 14.623 5.891 -7.825 1.00 10.00 C HETATM 1393 OG SEP B 205 15.829 5.599 -7.131 1.00 10.00 O HETATM 1394 C SEP B 205 13.455 7.663 -6.546 1.00 10.00 C HETATM 1395 O SEP B 205 12.960 8.465 -7.338 1.00 10.00 O HETATM 1396 P SEP B 205 17.229 5.689 -7.883 1.00 10.00 P HETATM 1397 O1P SEP B 205 17.924 7.002 -7.290 1.00 10.00 O HETATM 1398 O2P SEP B 205 17.129 5.958 -9.327 1.00 10.00 O HETATM 1399 O3P SEP B 205 18.154 4.596 -7.544 1.00 10.00 O HETATM 0 HB3 SEP B 205 14.356 5.050 -8.466 1.00 10.00 H new HETATM 0 HB2 SEP B 205 14.774 6.752 -8.476 1.00 10.00 H new HETATM 0 HA SEP B 205 13.666 5.658 -5.918 1.00 10.00 H new ATOM 1404 N GLU B 206 13.955 8.030 -5.374 1.00 10.00 N ATOM 1405 CA GLU B 206 14.014 9.429 -4.985 1.00 10.00 C ATOM 1406 C GLU B 206 15.414 9.984 -5.252 1.00 10.00 C ATOM 1407 O GLU B 206 16.417 9.375 -4.872 1.00 10.00 O ATOM 1408 CB GLU B 206 13.641 9.607 -3.511 1.00 10.00 C ATOM 1409 CG GLU B 206 13.894 11.005 -2.966 1.00 10.00 C ATOM 1410 CD GLU B 206 13.292 12.095 -3.833 1.00 10.00 C ATOM 1411 OE1 GLU B 206 14.061 12.813 -4.507 1.00 10.00 O ATOM 1412 OE2 GLU B 206 12.055 12.233 -3.854 1.00 10.00 O ATOM 0 H GLU B 206 14.324 7.380 -4.680 1.00 10.00 H new ATOM 0 HA GLU B 206 13.290 9.984 -5.582 1.00 10.00 H new ATOM 0 HB2 GLU B 206 12.586 9.365 -3.384 1.00 10.00 H new ATOM 0 HB3 GLU B 206 14.206 8.890 -2.916 1.00 10.00 H new ATOM 0 HG2 GLU B 206 13.480 11.078 -1.960 1.00 10.00 H new ATOM 0 HG3 GLU B 206 14.968 11.167 -2.881 1.00 10.00 H new TER 1419 GLU B 206