USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 656 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 MET CE :methyl -124:sc= -0.148 (180deg=-0.257) USER MOD Set 1.2: A 33 SER OG : rot -64:sc= -0.128 USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0344 (180deg=0) USER MOD Single : A 2 SER OG : rot 31:sc= 0.588 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0128 X(o=-0.013,f=0.0079) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc=-0.00267 X(o=-0.0027,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -2.91 K(o=-2.9,f=-0.37) USER MOD Single : A 45 GLN : amide:sc= -2.39! C(o=-2.4!,f=-5.2!) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -2:sc= -4.93! USER MOD Single : A 51 TYR OH : rot -140:sc= -2.08 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 76:sc= 0.0689 USER MOD Single : A 61 THR OG1 : rot -148:sc= -1.36 USER MOD Single : A 65 THR OG1 : rot -170:sc= -3.63! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -102:sc= 0.00184 USER MOD Single : A 85 SER OG : rot 180:sc= -0.131 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.706 -10.770 -1.807 1.00 0.00 N ATOM 2 CA GLY A 1 18.282 -10.737 -0.474 1.00 0.00 C ATOM 3 C GLY A 1 17.825 -11.941 0.351 1.00 0.00 C ATOM 4 O GLY A 1 17.596 -13.020 -0.193 1.00 0.00 O ATOM 0 H1 GLY A 1 18.449 -10.583 -2.511 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.290 -11.707 -1.983 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.966 -10.043 -1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.370 -10.732 -0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.990 -9.815 0.029 1.00 0.00 H new ATOM 8 N SER A 2 17.705 -11.717 1.652 1.00 0.00 N ATOM 9 CA SER A 2 17.280 -12.770 2.557 1.00 0.00 C ATOM 10 C SER A 2 15.817 -13.132 2.289 1.00 0.00 C ATOM 11 O SER A 2 14.924 -12.313 2.498 1.00 0.00 O ATOM 12 CB SER A 2 17.464 -12.350 4.017 1.00 0.00 C ATOM 13 OG SER A 2 16.690 -11.199 4.342 1.00 0.00 O ATOM 0 H SER A 2 17.895 -10.821 2.100 1.00 0.00 H new ATOM 0 HA SER A 2 17.903 -13.646 2.378 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.179 -13.175 4.670 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.518 -12.143 4.205 1.00 0.00 H new ATOM 0 HG SER A 2 15.872 -11.192 3.803 1.00 0.00 H new ATOM 19 N SER A 3 15.619 -14.359 1.831 1.00 0.00 N ATOM 20 CA SER A 3 14.280 -14.839 1.533 1.00 0.00 C ATOM 21 C SER A 3 13.757 -15.686 2.694 1.00 0.00 C ATOM 22 O SER A 3 14.538 -16.276 3.439 1.00 0.00 O ATOM 23 CB SER A 3 14.262 -15.648 0.235 1.00 0.00 C ATOM 24 OG SER A 3 13.872 -14.856 -0.884 1.00 0.00 O ATOM 0 H SER A 3 16.363 -15.035 1.659 1.00 0.00 H new ATOM 0 HA SER A 3 13.628 -13.975 1.400 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.252 -16.066 0.055 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.576 -16.488 0.341 1.00 0.00 H new ATOM 0 HG SER A 3 13.875 -15.409 -1.693 1.00 0.00 H new ATOM 30 N GLY A 4 12.437 -15.720 2.813 1.00 0.00 N ATOM 31 CA GLY A 4 11.801 -16.485 3.871 1.00 0.00 C ATOM 32 C GLY A 4 10.782 -15.631 4.629 1.00 0.00 C ATOM 33 O GLY A 4 9.811 -15.153 4.045 1.00 0.00 O ATOM 0 H GLY A 4 11.791 -15.230 2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.305 -17.358 3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.558 -16.854 4.563 1.00 0.00 H new ATOM 37 N SER A 5 11.039 -15.466 5.918 1.00 0.00 N ATOM 38 CA SER A 5 10.157 -14.678 6.761 1.00 0.00 C ATOM 39 C SER A 5 10.027 -13.259 6.202 1.00 0.00 C ATOM 40 O SER A 5 8.926 -12.811 5.888 1.00 0.00 O ATOM 41 CB SER A 5 10.667 -14.635 8.203 1.00 0.00 C ATOM 42 OG SER A 5 9.866 -13.793 9.028 1.00 0.00 O ATOM 0 H SER A 5 11.845 -15.865 6.399 1.00 0.00 H new ATOM 0 HA SER A 5 9.175 -15.151 6.765 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.675 -15.644 8.615 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.697 -14.278 8.213 1.00 0.00 H new ATOM 0 HG SER A 5 10.223 -13.794 9.941 1.00 0.00 H new ATOM 48 N SER A 6 11.168 -12.593 6.096 1.00 0.00 N ATOM 49 CA SER A 6 11.196 -11.235 5.580 1.00 0.00 C ATOM 50 C SER A 6 12.046 -11.175 4.310 1.00 0.00 C ATOM 51 O SER A 6 12.891 -12.040 4.083 1.00 0.00 O ATOM 52 CB SER A 6 11.736 -10.259 6.627 1.00 0.00 C ATOM 53 OG SER A 6 10.731 -9.361 7.089 1.00 0.00 O ATOM 0 H SER A 6 12.079 -12.969 6.359 1.00 0.00 H new ATOM 0 HA SER A 6 10.175 -10.939 5.340 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.138 -10.819 7.472 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.562 -9.690 6.200 1.00 0.00 H new ATOM 0 HG SER A 6 11.115 -8.756 7.757 1.00 0.00 H new ATOM 59 N GLY A 7 11.794 -10.145 3.515 1.00 0.00 N ATOM 60 CA GLY A 7 12.526 -9.961 2.274 1.00 0.00 C ATOM 61 C GLY A 7 13.571 -8.852 2.413 1.00 0.00 C ATOM 62 O GLY A 7 14.611 -9.049 3.039 1.00 0.00 O ATOM 0 H GLY A 7 11.093 -9.429 3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.016 -10.894 1.995 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.832 -9.713 1.471 1.00 0.00 H new ATOM 66 N GLY A 8 13.257 -7.710 1.819 1.00 0.00 N ATOM 67 CA GLY A 8 14.156 -6.569 1.868 1.00 0.00 C ATOM 68 C GLY A 8 13.390 -5.259 1.674 1.00 0.00 C ATOM 69 O GLY A 8 13.632 -4.283 2.383 1.00 0.00 O ATOM 0 H GLY A 8 12.393 -7.550 1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.676 -6.552 2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.917 -6.668 1.094 1.00 0.00 H new ATOM 73 N THR A 9 12.481 -5.279 0.710 1.00 0.00 N ATOM 74 CA THR A 9 11.678 -4.105 0.414 1.00 0.00 C ATOM 75 C THR A 9 10.390 -4.508 -0.307 1.00 0.00 C ATOM 76 O THR A 9 10.254 -5.646 -0.753 1.00 0.00 O ATOM 77 CB THR A 9 12.544 -3.130 -0.387 1.00 0.00 C ATOM 78 OG1 THR A 9 13.294 -3.969 -1.261 1.00 0.00 O ATOM 79 CG2 THR A 9 13.606 -2.446 0.475 1.00 0.00 C ATOM 0 H THR A 9 12.283 -6.090 0.124 1.00 0.00 H new ATOM 0 HA THR A 9 11.358 -3.603 1.327 1.00 0.00 H new ATOM 0 HB THR A 9 11.908 -2.374 -0.847 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.882 -3.418 -1.819 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.192 -1.765 -0.142 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.120 -1.885 1.274 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.263 -3.200 0.909 1.00 0.00 H new ATOM 87 N VAL A 10 9.478 -3.551 -0.400 1.00 0.00 N ATOM 88 CA VAL A 10 8.205 -3.792 -1.059 1.00 0.00 C ATOM 89 C VAL A 10 7.823 -2.563 -1.885 1.00 0.00 C ATOM 90 O VAL A 10 8.169 -1.438 -1.527 1.00 0.00 O ATOM 91 CB VAL A 10 7.144 -4.171 -0.025 1.00 0.00 C ATOM 92 CG1 VAL A 10 5.736 -4.046 -0.613 1.00 0.00 C ATOM 93 CG2 VAL A 10 7.387 -5.580 0.520 1.00 0.00 C ATOM 0 H VAL A 10 9.595 -2.608 -0.030 1.00 0.00 H new ATOM 0 HA VAL A 10 8.284 -4.634 -1.747 1.00 0.00 H new ATOM 0 HB VAL A 10 7.223 -3.472 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.000 -4.321 0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.564 -3.017 -0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.640 -4.710 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.618 -5.824 1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.349 -6.298 -0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.367 -5.623 0.994 1.00 0.00 H new ATOM 103 N LYS A 11 7.115 -2.818 -2.976 1.00 0.00 N ATOM 104 CA LYS A 11 6.683 -1.746 -3.856 1.00 0.00 C ATOM 105 C LYS A 11 5.295 -1.267 -3.424 1.00 0.00 C ATOM 106 O LYS A 11 4.383 -2.073 -3.246 1.00 0.00 O ATOM 107 CB LYS A 11 6.752 -2.192 -5.318 1.00 0.00 C ATOM 108 CG LYS A 11 8.193 -2.496 -5.731 1.00 0.00 C ATOM 109 CD LYS A 11 8.270 -3.788 -6.546 1.00 0.00 C ATOM 110 CE LYS A 11 8.783 -3.514 -7.961 1.00 0.00 C ATOM 111 NZ LYS A 11 8.223 -4.497 -8.915 1.00 0.00 N ATOM 0 H LYS A 11 6.830 -3.752 -3.270 1.00 0.00 H new ATOM 0 HA LYS A 11 7.356 -0.892 -3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.134 -3.079 -5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.343 -1.412 -5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.589 -1.668 -6.318 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.818 -2.585 -4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.930 -4.498 -6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.284 -4.250 -6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.506 -2.505 -8.265 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.872 -3.564 -7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.581 -4.297 -9.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.508 -5.456 -8.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.185 -4.430 -8.913 1.00 0.00 H new ATOM 125 N VAL A 12 5.180 0.044 -3.268 1.00 0.00 N ATOM 126 CA VAL A 12 3.919 0.641 -2.861 1.00 0.00 C ATOM 127 C VAL A 12 3.403 1.547 -3.980 1.00 0.00 C ATOM 128 O VAL A 12 4.004 2.580 -4.274 1.00 0.00 O ATOM 129 CB VAL A 12 4.093 1.375 -1.530 1.00 0.00 C ATOM 130 CG1 VAL A 12 2.823 2.141 -1.155 1.00 0.00 C ATOM 131 CG2 VAL A 12 4.497 0.405 -0.417 1.00 0.00 C ATOM 0 H VAL A 12 5.939 0.709 -3.416 1.00 0.00 H new ATOM 0 HA VAL A 12 3.167 -0.131 -2.696 1.00 0.00 H new ATOM 0 HB VAL A 12 4.898 2.100 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.974 2.653 -0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.597 2.873 -1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.991 1.443 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.614 0.953 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.724 -0.355 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.441 -0.075 -0.677 1.00 0.00 H new ATOM 141 N TYR A 13 2.296 1.128 -4.575 1.00 0.00 N ATOM 142 CA TYR A 13 1.693 1.889 -5.655 1.00 0.00 C ATOM 143 C TYR A 13 0.790 2.997 -5.108 1.00 0.00 C ATOM 144 O TYR A 13 -0.214 2.719 -4.454 1.00 0.00 O ATOM 145 CB TYR A 13 0.839 0.896 -6.445 1.00 0.00 C ATOM 146 CG TYR A 13 1.644 -0.017 -7.373 1.00 0.00 C ATOM 147 CD1 TYR A 13 2.453 0.531 -8.347 1.00 0.00 C ATOM 148 CD2 TYR A 13 1.560 -1.387 -7.234 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.211 -0.329 -9.220 1.00 0.00 C ATOM 150 CE2 TYR A 13 2.318 -2.246 -8.107 1.00 0.00 C ATOM 151 CZ TYR A 13 3.106 -1.674 -9.057 1.00 0.00 C ATOM 152 OH TYR A 13 3.822 -2.486 -9.881 1.00 0.00 O ATOM 0 H TYR A 13 1.801 0.271 -4.329 1.00 0.00 H new ATOM 0 HA TYR A 13 2.462 2.360 -6.268 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.276 0.279 -5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.112 1.450 -7.038 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.518 1.604 -8.455 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.926 -1.815 -6.471 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.848 0.086 -9.987 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.262 -3.320 -8.010 1.00 0.00 H new ATOM 0 HH TYR A 13 3.650 -3.422 -9.648 1.00 0.00 H new ATOM 162 N LEU A 14 1.179 4.230 -5.397 1.00 0.00 N ATOM 163 CA LEU A 14 0.418 5.381 -4.942 1.00 0.00 C ATOM 164 C LEU A 14 -0.651 5.724 -5.982 1.00 0.00 C ATOM 165 O LEU A 14 -0.536 5.340 -7.145 1.00 0.00 O ATOM 166 CB LEU A 14 1.353 6.547 -4.615 1.00 0.00 C ATOM 167 CG LEU A 14 1.912 6.579 -3.190 1.00 0.00 C ATOM 168 CD1 LEU A 14 3.157 7.464 -3.109 1.00 0.00 C ATOM 169 CD2 LEU A 14 0.837 7.008 -2.190 1.00 0.00 C ATOM 0 H LEU A 14 2.012 4.457 -5.941 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.103 5.150 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.190 6.522 -5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.816 7.479 -4.795 1.00 0.00 H new ATOM 0 HG LEU A 14 2.218 5.568 -2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.534 7.469 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.925 7.074 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.901 8.481 -3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.260 7.023 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.478 8.004 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.006 6.303 -2.224 1.00 0.00 H new ATOM 181 N PRO A 15 -1.693 6.462 -5.514 1.00 0.00 N ATOM 182 CA PRO A 15 -2.781 6.860 -6.391 1.00 0.00 C ATOM 183 C PRO A 15 -2.349 7.997 -7.320 1.00 0.00 C ATOM 184 O PRO A 15 -2.798 9.132 -7.168 1.00 0.00 O ATOM 185 CB PRO A 15 -3.914 7.254 -5.457 1.00 0.00 C ATOM 186 CG PRO A 15 -3.270 7.506 -4.104 1.00 0.00 C ATOM 187 CD PRO A 15 -1.862 6.934 -4.143 1.00 0.00 C ATOM 0 HA PRO A 15 -3.095 6.060 -7.062 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.426 8.146 -5.818 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.661 6.462 -5.393 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.242 8.574 -3.888 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.851 7.035 -3.311 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.120 7.691 -3.890 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.745 6.121 -3.427 1.00 0.00 H new ATOM 195 N ASN A 16 -1.482 7.652 -8.260 1.00 0.00 N ATOM 196 CA ASN A 16 -0.984 8.629 -9.213 1.00 0.00 C ATOM 197 C ASN A 16 0.087 7.979 -10.092 1.00 0.00 C ATOM 198 O ASN A 16 1.184 8.515 -10.240 1.00 0.00 O ATOM 199 CB ASN A 16 -0.347 9.822 -8.498 1.00 0.00 C ATOM 200 CG ASN A 16 -0.637 11.127 -9.243 1.00 0.00 C ATOM 201 OD1 ASN A 16 -0.166 11.361 -10.343 1.00 0.00 O ATOM 202 ND2 ASN A 16 -1.436 11.960 -8.583 1.00 0.00 N ATOM 0 H ASN A 16 -1.112 6.710 -8.382 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.827 8.975 -9.811 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.731 9.887 -7.480 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.730 9.673 -8.424 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.689 12.858 -8.995 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.796 11.701 -7.664 1.00 0.00 H new ATOM 209 N LYS A 17 -0.269 6.832 -10.652 1.00 0.00 N ATOM 210 CA LYS A 17 0.648 6.103 -11.511 1.00 0.00 C ATOM 211 C LYS A 17 2.063 6.198 -10.938 1.00 0.00 C ATOM 212 O LYS A 17 3.041 6.185 -11.684 1.00 0.00 O ATOM 213 CB LYS A 17 0.535 6.595 -12.955 1.00 0.00 C ATOM 214 CG LYS A 17 1.550 7.705 -13.237 1.00 0.00 C ATOM 215 CD LYS A 17 1.056 8.629 -14.352 1.00 0.00 C ATOM 216 CE LYS A 17 0.157 9.733 -13.792 1.00 0.00 C ATOM 217 NZ LYS A 17 -0.344 10.598 -14.883 1.00 0.00 N ATOM 0 H LYS A 17 -1.180 6.390 -10.527 1.00 0.00 H new ATOM 0 HA LYS A 17 0.385 5.045 -11.537 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.700 5.764 -13.640 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.474 6.964 -13.139 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.723 8.284 -12.330 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.506 7.265 -13.521 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.909 9.075 -14.864 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.506 8.049 -15.093 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.683 9.290 -13.257 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.713 10.332 -13.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.952 11.342 -14.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.460 11.036 -15.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.893 10.025 -15.556 1.00 0.00 H new ATOM 231 N GLN A 18 2.127 6.292 -9.618 1.00 0.00 N ATOM 232 CA GLN A 18 3.407 6.390 -8.936 1.00 0.00 C ATOM 233 C GLN A 18 3.604 5.193 -8.004 1.00 0.00 C ATOM 234 O GLN A 18 2.639 4.529 -7.627 1.00 0.00 O ATOM 235 CB GLN A 18 3.519 7.708 -8.167 1.00 0.00 C ATOM 236 CG GLN A 18 3.993 8.838 -9.084 1.00 0.00 C ATOM 237 CD GLN A 18 4.992 9.746 -8.363 1.00 0.00 C ATOM 238 OE1 GLN A 18 4.689 10.863 -7.977 1.00 0.00 O ATOM 239 NE2 GLN A 18 6.197 9.205 -8.204 1.00 0.00 N ATOM 0 H GLN A 18 1.314 6.302 -9.003 1.00 0.00 H new ATOM 0 HA GLN A 18 4.198 6.377 -9.685 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.551 7.966 -7.736 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.216 7.591 -7.337 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.457 8.417 -9.976 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.137 9.425 -9.417 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.384 8.264 -8.551 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.934 9.731 -7.735 1.00 0.00 H new ATOM 248 N ARG A 19 4.861 4.953 -7.658 1.00 0.00 N ATOM 249 CA ARG A 19 5.197 3.848 -6.777 1.00 0.00 C ATOM 250 C ARG A 19 6.412 4.205 -5.918 1.00 0.00 C ATOM 251 O ARG A 19 7.266 4.983 -6.338 1.00 0.00 O ATOM 252 CB ARG A 19 5.500 2.579 -7.576 1.00 0.00 C ATOM 253 CG ARG A 19 6.578 2.840 -8.630 1.00 0.00 C ATOM 254 CD ARG A 19 5.950 3.193 -9.980 1.00 0.00 C ATOM 255 NE ARG A 19 6.517 4.464 -10.485 1.00 0.00 N ATOM 256 CZ ARG A 19 6.440 4.866 -11.761 1.00 0.00 C ATOM 257 NH1 ARG A 19 5.821 4.099 -12.669 1.00 0.00 N ATOM 258 NH2 ARG A 19 6.983 6.034 -12.129 1.00 0.00 N ATOM 0 H ARG A 19 5.659 5.505 -7.972 1.00 0.00 H new ATOM 0 HA ARG A 19 4.336 3.662 -6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.830 1.790 -6.901 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.591 2.224 -8.061 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.224 3.654 -8.301 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.208 1.957 -8.738 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.135 2.393 -10.697 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.869 3.284 -9.875 1.00 0.00 H new ATOM 0 HE ARG A 19 6.996 5.071 -9.820 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.408 3.209 -12.389 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.762 4.405 -13.640 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.455 6.617 -11.438 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.924 6.340 -13.100 1.00 0.00 H new ATOM 272 N THR A 20 6.449 3.618 -4.731 1.00 0.00 N ATOM 273 CA THR A 20 7.546 3.864 -3.809 1.00 0.00 C ATOM 274 C THR A 20 7.932 2.573 -3.084 1.00 0.00 C ATOM 275 O THR A 20 7.066 1.844 -2.603 1.00 0.00 O ATOM 276 CB THR A 20 7.124 4.990 -2.863 1.00 0.00 C ATOM 277 OG1 THR A 20 8.354 5.473 -2.329 1.00 0.00 O ATOM 278 CG2 THR A 20 6.364 4.473 -1.639 1.00 0.00 C ATOM 0 H THR A 20 5.738 2.973 -4.386 1.00 0.00 H new ATOM 0 HA THR A 20 8.444 4.184 -4.338 1.00 0.00 H new ATOM 0 HB THR A 20 6.501 5.703 -3.403 1.00 0.00 H new ATOM 0 HG1 THR A 20 8.174 6.207 -1.706 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.088 5.312 -1.001 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.463 3.952 -1.963 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.999 3.786 -1.080 1.00 0.00 H new ATOM 286 N VAL A 21 9.233 2.331 -3.027 1.00 0.00 N ATOM 287 CA VAL A 21 9.745 1.141 -2.369 1.00 0.00 C ATOM 288 C VAL A 21 9.920 1.425 -0.876 1.00 0.00 C ATOM 289 O VAL A 21 10.468 2.459 -0.497 1.00 0.00 O ATOM 290 CB VAL A 21 11.039 0.684 -3.046 1.00 0.00 C ATOM 291 CG1 VAL A 21 11.299 -0.801 -2.786 1.00 0.00 C ATOM 292 CG2 VAL A 21 11.008 0.981 -4.546 1.00 0.00 C ATOM 0 H VAL A 21 9.948 2.939 -3.426 1.00 0.00 H new ATOM 0 HA VAL A 21 9.037 0.318 -2.463 1.00 0.00 H new ATOM 0 HB VAL A 21 11.863 1.249 -2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.224 -1.100 -3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.387 -0.973 -1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.471 -1.390 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.939 0.646 -5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.170 0.455 -5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.892 2.054 -4.702 1.00 0.00 H new ATOM 302 N VAL A 22 9.443 0.489 -0.068 1.00 0.00 N ATOM 303 CA VAL A 22 9.539 0.626 1.375 1.00 0.00 C ATOM 304 C VAL A 22 10.242 -0.604 1.954 1.00 0.00 C ATOM 305 O VAL A 22 10.303 -1.649 1.309 1.00 0.00 O ATOM 306 CB VAL A 22 8.149 0.857 1.973 1.00 0.00 C ATOM 307 CG1 VAL A 22 8.226 1.016 3.493 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.469 2.066 1.328 1.00 0.00 C ATOM 0 H VAL A 22 8.989 -0.367 -0.386 1.00 0.00 H new ATOM 0 HA VAL A 22 10.139 1.497 1.637 1.00 0.00 H new ATOM 0 HB VAL A 22 7.541 -0.022 1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.225 1.179 3.893 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.650 0.113 3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.858 1.870 3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.483 2.208 1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.074 2.957 1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.364 1.896 0.256 1.00 0.00 H new ATOM 318 N THR A 23 10.756 -0.437 3.164 1.00 0.00 N ATOM 319 CA THR A 23 11.452 -1.520 3.837 1.00 0.00 C ATOM 320 C THR A 23 10.450 -2.525 4.409 1.00 0.00 C ATOM 321 O THR A 23 9.295 -2.182 4.657 1.00 0.00 O ATOM 322 CB THR A 23 12.369 -0.907 4.896 1.00 0.00 C ATOM 323 OG1 THR A 23 13.307 -0.143 4.143 1.00 0.00 O ATOM 324 CG2 THR A 23 13.228 -1.956 5.606 1.00 0.00 C ATOM 0 H THR A 23 10.704 0.432 3.695 1.00 0.00 H new ATOM 0 HA THR A 23 12.070 -2.086 3.140 1.00 0.00 H new ATOM 0 HB THR A 23 11.767 -0.373 5.631 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.940 0.291 4.753 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.860 -1.467 6.347 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.582 -2.681 6.101 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.855 -2.468 4.876 1.00 0.00 H new ATOM 332 N VAL A 24 10.928 -3.746 4.601 1.00 0.00 N ATOM 333 CA VAL A 24 10.088 -4.802 5.139 1.00 0.00 C ATOM 334 C VAL A 24 10.337 -4.929 6.643 1.00 0.00 C ATOM 335 O VAL A 24 11.400 -5.382 7.064 1.00 0.00 O ATOM 336 CB VAL A 24 10.338 -6.107 4.379 1.00 0.00 C ATOM 337 CG1 VAL A 24 9.258 -7.143 4.699 1.00 0.00 C ATOM 338 CG2 VAL A 24 10.428 -5.856 2.873 1.00 0.00 C ATOM 0 H VAL A 24 11.886 -4.027 4.394 1.00 0.00 H new ATOM 0 HA VAL A 24 9.034 -4.559 5.003 1.00 0.00 H new ATOM 0 HB VAL A 24 11.296 -6.509 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.459 -8.061 4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.263 -7.355 5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.282 -6.752 4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.606 -6.799 2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.493 -5.420 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.249 -5.169 2.667 1.00 0.00 H new ATOM 348 N ARG A 25 9.338 -4.521 7.412 1.00 0.00 N ATOM 349 CA ARG A 25 9.435 -4.583 8.861 1.00 0.00 C ATOM 350 C ARG A 25 8.528 -5.688 9.406 1.00 0.00 C ATOM 351 O ARG A 25 7.487 -5.986 8.823 1.00 0.00 O ATOM 352 CB ARG A 25 9.041 -3.249 9.497 1.00 0.00 C ATOM 353 CG ARG A 25 10.052 -2.155 9.147 1.00 0.00 C ATOM 354 CD ARG A 25 10.744 -1.625 10.404 1.00 0.00 C ATOM 355 NE ARG A 25 12.123 -1.195 10.080 1.00 0.00 N ATOM 356 CZ ARG A 25 12.424 -0.062 9.432 1.00 0.00 C ATOM 357 NH1 ARG A 25 11.445 0.762 9.034 1.00 0.00 N ATOM 358 NH2 ARG A 25 13.703 0.247 9.181 1.00 0.00 N ATOM 0 H ARG A 25 8.457 -4.146 7.059 1.00 0.00 H new ATOM 0 HA ARG A 25 10.472 -4.801 9.115 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.049 -2.956 9.152 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.982 -3.362 10.580 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.797 -2.551 8.457 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.545 -1.337 8.634 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.180 -0.787 10.814 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.766 -2.399 11.171 1.00 0.00 H new ATOM 0 HE ARG A 25 12.892 -1.800 10.368 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.471 0.526 9.225 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.674 1.625 8.541 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.448 -0.381 9.483 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.932 1.110 8.688 1.00 0.00 H new ATOM 372 N ASP A 26 8.956 -6.265 10.519 1.00 0.00 N ATOM 373 CA ASP A 26 8.195 -7.331 11.150 1.00 0.00 C ATOM 374 C ASP A 26 7.829 -6.914 12.576 1.00 0.00 C ATOM 375 O ASP A 26 8.474 -7.335 13.535 1.00 0.00 O ATOM 376 CB ASP A 26 9.015 -8.620 11.230 1.00 0.00 C ATOM 377 CG ASP A 26 10.316 -8.511 12.028 1.00 0.00 C ATOM 378 OD1 ASP A 26 11.089 -7.575 11.727 1.00 0.00 O ATOM 379 OD2 ASP A 26 10.508 -9.365 12.920 1.00 0.00 O ATOM 0 H ASP A 26 9.820 -6.015 11.000 1.00 0.00 H new ATOM 0 HA ASP A 26 7.302 -7.509 10.551 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.397 -9.399 11.677 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.254 -8.944 10.217 1.00 0.00 H new ATOM 384 N GLY A 27 6.793 -6.093 12.671 1.00 0.00 N ATOM 385 CA GLY A 27 6.333 -5.615 13.963 1.00 0.00 C ATOM 386 C GLY A 27 5.352 -4.452 13.800 1.00 0.00 C ATOM 387 O GLY A 27 4.183 -4.566 14.167 1.00 0.00 O ATOM 0 H GLY A 27 6.259 -5.747 11.874 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.851 -6.429 14.505 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.186 -5.295 14.561 1.00 0.00 H new ATOM 391 N MET A 28 5.863 -3.361 13.250 1.00 0.00 N ATOM 392 CA MET A 28 5.047 -2.178 13.034 1.00 0.00 C ATOM 393 C MET A 28 3.793 -2.518 12.226 1.00 0.00 C ATOM 394 O MET A 28 3.730 -3.564 11.581 1.00 0.00 O ATOM 395 CB MET A 28 5.865 -1.122 12.289 1.00 0.00 C ATOM 396 CG MET A 28 6.224 -1.601 10.881 1.00 0.00 C ATOM 397 SD MET A 28 7.643 -0.703 10.275 1.00 0.00 S ATOM 398 CE MET A 28 6.844 0.783 9.692 1.00 0.00 C ATOM 0 H MET A 28 6.833 -3.271 12.947 1.00 0.00 H new ATOM 0 HA MET A 28 4.737 -1.791 14.005 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.297 -0.193 12.228 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.776 -0.903 12.846 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.438 -2.670 10.895 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.377 -1.454 10.211 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.088 0.939 8.641 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.764 0.683 9.803 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.191 1.636 10.275 1.00 0.00 H new ATOM 408 N SER A 29 2.825 -1.615 12.287 1.00 0.00 N ATOM 409 CA SER A 29 1.577 -1.806 11.569 1.00 0.00 C ATOM 410 C SER A 29 1.717 -1.299 10.133 1.00 0.00 C ATOM 411 O SER A 29 2.765 -0.780 9.753 1.00 0.00 O ATOM 412 CB SER A 29 0.421 -1.092 12.274 1.00 0.00 C ATOM 413 OG SER A 29 0.459 -1.281 13.686 1.00 0.00 O ATOM 0 H SER A 29 2.880 -0.749 12.823 1.00 0.00 H new ATOM 0 HA SER A 29 1.353 -2.872 11.551 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.462 -0.026 12.050 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.527 -1.463 11.884 1.00 0.00 H new ATOM 0 HG SER A 29 -0.294 -0.809 14.100 1.00 0.00 H new ATOM 419 N VAL A 30 0.645 -1.468 9.372 1.00 0.00 N ATOM 420 CA VAL A 30 0.635 -1.034 7.986 1.00 0.00 C ATOM 421 C VAL A 30 0.454 0.485 7.932 1.00 0.00 C ATOM 422 O VAL A 30 0.982 1.145 7.039 1.00 0.00 O ATOM 423 CB VAL A 30 -0.442 -1.792 7.208 1.00 0.00 C ATOM 424 CG1 VAL A 30 -0.590 -1.234 5.791 1.00 0.00 C ATOM 425 CG2 VAL A 30 -0.144 -3.292 7.178 1.00 0.00 C ATOM 0 H VAL A 30 -0.223 -1.900 9.690 1.00 0.00 H new ATOM 0 HA VAL A 30 1.587 -1.265 7.507 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.391 -1.650 7.725 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.362 -1.791 5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.871 -0.182 5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.357 -1.331 5.261 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.925 -3.807 6.619 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.819 -3.462 6.697 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.113 -3.677 8.197 1.00 0.00 H new ATOM 435 N TYR A 31 -0.294 0.994 8.900 1.00 0.00 N ATOM 436 CA TYR A 31 -0.552 2.422 8.974 1.00 0.00 C ATOM 437 C TYR A 31 0.754 3.208 9.106 1.00 0.00 C ATOM 438 O TYR A 31 1.041 4.084 8.291 1.00 0.00 O ATOM 439 CB TYR A 31 -1.390 2.634 10.237 1.00 0.00 C ATOM 440 CG TYR A 31 -1.446 4.088 10.709 1.00 0.00 C ATOM 441 CD1 TYR A 31 -0.457 4.585 11.532 1.00 0.00 C ATOM 442 CD2 TYR A 31 -2.487 4.903 10.311 1.00 0.00 C ATOM 443 CE1 TYR A 31 -0.510 5.954 11.977 1.00 0.00 C ATOM 444 CE2 TYR A 31 -2.541 6.272 10.755 1.00 0.00 C ATOM 445 CZ TYR A 31 -1.550 6.730 11.566 1.00 0.00 C ATOM 446 OH TYR A 31 -1.600 8.022 11.986 1.00 0.00 O ATOM 0 H TYR A 31 -0.730 0.443 9.640 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.058 2.768 8.073 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.405 2.284 10.050 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.983 2.018 11.039 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.357 3.947 11.843 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.261 4.514 9.666 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.258 6.355 12.622 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.350 6.920 10.451 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.396 8.456 11.614 1.00 0.00 H new ATOM 456 N ASP A 32 1.512 2.867 10.138 1.00 0.00 N ATOM 457 CA ASP A 32 2.781 3.530 10.387 1.00 0.00 C ATOM 458 C ASP A 32 3.716 3.294 9.199 1.00 0.00 C ATOM 459 O ASP A 32 4.631 4.080 8.959 1.00 0.00 O ATOM 460 CB ASP A 32 3.457 2.972 11.640 1.00 0.00 C ATOM 461 CG ASP A 32 3.065 3.662 12.948 1.00 0.00 C ATOM 462 OD1 ASP A 32 2.042 3.239 13.528 1.00 0.00 O ATOM 463 OD2 ASP A 32 3.798 4.597 13.339 1.00 0.00 O ATOM 0 H ASP A 32 1.272 2.140 10.812 1.00 0.00 H new ATOM 0 HA ASP A 32 2.585 4.593 10.527 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.219 1.911 11.721 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.537 3.048 11.516 1.00 0.00 H new ATOM 468 N SER A 33 3.454 2.207 8.488 1.00 0.00 N ATOM 469 CA SER A 33 4.261 1.857 7.332 1.00 0.00 C ATOM 470 C SER A 33 3.860 2.720 6.133 1.00 0.00 C ATOM 471 O SER A 33 4.682 3.460 5.595 1.00 0.00 O ATOM 472 CB SER A 33 4.118 0.373 6.989 1.00 0.00 C ATOM 473 OG SER A 33 5.232 -0.390 7.443 1.00 0.00 O ATOM 0 H SER A 33 2.694 1.557 8.690 1.00 0.00 H new ATOM 0 HA SER A 33 5.307 2.047 7.575 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.205 -0.016 7.439 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.016 0.259 5.910 1.00 0.00 H new ATOM 0 HG SER A 33 6.041 -0.100 6.972 1.00 0.00 H new ATOM 479 N LEU A 34 2.598 2.596 5.751 1.00 0.00 N ATOM 480 CA LEU A 34 2.078 3.355 4.627 1.00 0.00 C ATOM 481 C LEU A 34 1.889 4.814 5.046 1.00 0.00 C ATOM 482 O LEU A 34 1.509 5.654 4.231 1.00 0.00 O ATOM 483 CB LEU A 34 0.807 2.702 4.081 1.00 0.00 C ATOM 484 CG LEU A 34 1.007 1.671 2.968 1.00 0.00 C ATOM 485 CD1 LEU A 34 1.709 2.297 1.761 1.00 0.00 C ATOM 486 CD2 LEU A 34 1.750 0.439 3.488 1.00 0.00 C ATOM 0 H LEU A 34 1.920 1.981 6.200 1.00 0.00 H new ATOM 0 HA LEU A 34 2.790 3.350 3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.287 2.218 4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.150 3.488 3.707 1.00 0.00 H new ATOM 0 HG LEU A 34 0.026 1.336 2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.839 1.543 0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.104 3.117 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.684 2.677 2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.879 -0.278 2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.727 0.737 3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.174 -0.021 4.291 1.00 0.00 H new ATOM 498 N ASP A 35 2.163 5.072 6.316 1.00 0.00 N ATOM 499 CA ASP A 35 2.027 6.415 6.854 1.00 0.00 C ATOM 500 C ASP A 35 2.797 7.395 5.966 1.00 0.00 C ATOM 501 O ASP A 35 2.242 8.394 5.511 1.00 0.00 O ATOM 502 CB ASP A 35 2.605 6.503 8.268 1.00 0.00 C ATOM 503 CG ASP A 35 2.802 7.925 8.798 1.00 0.00 C ATOM 504 OD1 ASP A 35 1.871 8.736 8.607 1.00 0.00 O ATOM 505 OD2 ASP A 35 3.881 8.168 9.382 1.00 0.00 O ATOM 0 H ASP A 35 2.479 4.373 6.989 1.00 0.00 H new ATOM 0 HA ASP A 35 0.966 6.661 6.883 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.944 5.966 8.949 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.566 5.989 8.284 1.00 0.00 H new ATOM 510 N LYS A 36 4.064 7.074 5.746 1.00 0.00 N ATOM 511 CA LYS A 36 4.916 7.914 4.921 1.00 0.00 C ATOM 512 C LYS A 36 4.402 7.894 3.480 1.00 0.00 C ATOM 513 O LYS A 36 4.107 8.942 2.908 1.00 0.00 O ATOM 514 CB LYS A 36 6.380 7.490 5.058 1.00 0.00 C ATOM 515 CG LYS A 36 7.285 8.706 5.264 1.00 0.00 C ATOM 516 CD LYS A 36 8.484 8.664 4.314 1.00 0.00 C ATOM 517 CE LYS A 36 8.368 9.745 3.237 1.00 0.00 C ATOM 518 NZ LYS A 36 9.694 10.339 2.955 1.00 0.00 N ATOM 0 H LYS A 36 4.521 6.244 6.125 1.00 0.00 H new ATOM 0 HA LYS A 36 4.875 8.949 5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.487 6.806 5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.691 6.948 4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.716 9.620 5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.635 8.733 6.296 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.405 8.806 4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.546 7.682 3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.954 9.315 2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.677 10.522 3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.598 11.071 2.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.075 10.767 3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.343 9.598 2.621 1.00 0.00 H new ATOM 532 N ALA A 37 4.311 6.690 2.935 1.00 0.00 N ATOM 533 CA ALA A 37 3.838 6.520 1.571 1.00 0.00 C ATOM 534 C ALA A 37 2.703 7.510 1.302 1.00 0.00 C ATOM 535 O ALA A 37 2.547 7.991 0.181 1.00 0.00 O ATOM 536 CB ALA A 37 3.406 5.067 1.358 1.00 0.00 C ATOM 0 H ALA A 37 4.557 5.823 3.413 1.00 0.00 H new ATOM 0 HA ALA A 37 4.636 6.731 0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.051 4.939 0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.255 4.406 1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.604 4.820 2.054 1.00 0.00 H new ATOM 542 N LEU A 38 1.941 7.787 2.350 1.00 0.00 N ATOM 543 CA LEU A 38 0.826 8.712 2.241 1.00 0.00 C ATOM 544 C LEU A 38 1.314 10.130 2.539 1.00 0.00 C ATOM 545 O LEU A 38 1.249 11.007 1.679 1.00 0.00 O ATOM 546 CB LEU A 38 -0.334 8.260 3.131 1.00 0.00 C ATOM 547 CG LEU A 38 -0.969 6.915 2.774 1.00 0.00 C ATOM 548 CD1 LEU A 38 -2.210 6.650 3.629 1.00 0.00 C ATOM 549 CD2 LEU A 38 -1.277 6.834 1.277 1.00 0.00 C ATOM 0 H LEU A 38 2.074 7.387 3.279 1.00 0.00 H new ATOM 0 HA LEU A 38 0.434 8.717 1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.022 8.209 4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.110 9.025 3.099 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.249 6.128 2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.642 5.688 3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.930 6.635 4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.944 7.438 3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.728 5.868 1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.969 7.630 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.353 6.946 0.709 1.00 0.00 H new ATOM 561 N LYS A 39 1.792 10.312 3.762 1.00 0.00 N ATOM 562 CA LYS A 39 2.291 11.610 4.185 1.00 0.00 C ATOM 563 C LYS A 39 3.067 12.253 3.033 1.00 0.00 C ATOM 564 O LYS A 39 2.783 13.385 2.645 1.00 0.00 O ATOM 565 CB LYS A 39 3.103 11.477 5.474 1.00 0.00 C ATOM 566 CG LYS A 39 2.190 11.206 6.672 1.00 0.00 C ATOM 567 CD LYS A 39 2.518 12.144 7.835 1.00 0.00 C ATOM 568 CE LYS A 39 1.751 11.743 9.096 1.00 0.00 C ATOM 569 NZ LYS A 39 1.592 12.906 9.998 1.00 0.00 N ATOM 0 H LYS A 39 1.844 9.583 4.473 1.00 0.00 H new ATOM 0 HA LYS A 39 1.463 12.277 4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.825 10.666 5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.672 12.391 5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.149 11.337 6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.303 10.170 6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.589 12.121 8.034 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.266 13.169 7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.771 11.350 8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.282 10.944 9.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.069 12.616 10.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.529 13.263 10.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.066 13.657 9.507 1.00 0.00 H new ATOM 583 N VAL A 40 4.031 11.503 2.519 1.00 0.00 N ATOM 584 CA VAL A 40 4.849 11.986 1.420 1.00 0.00 C ATOM 585 C VAL A 40 3.971 12.767 0.441 1.00 0.00 C ATOM 586 O VAL A 40 4.344 13.851 -0.005 1.00 0.00 O ATOM 587 CB VAL A 40 5.585 10.817 0.762 1.00 0.00 C ATOM 588 CG1 VAL A 40 4.596 9.828 0.140 1.00 0.00 C ATOM 589 CG2 VAL A 40 6.589 11.316 -0.278 1.00 0.00 C ATOM 0 H VAL A 40 4.264 10.564 2.844 1.00 0.00 H new ATOM 0 HA VAL A 40 5.615 12.670 1.786 1.00 0.00 H new ATOM 0 HB VAL A 40 6.141 10.292 1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.144 9.007 -0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.938 9.435 0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.000 10.337 -0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.098 10.465 -0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.064 11.877 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.322 11.962 0.205 1.00 0.00 H new ATOM 599 N ARG A 41 2.820 12.186 0.134 1.00 0.00 N ATOM 600 CA ARG A 41 1.886 12.814 -0.784 1.00 0.00 C ATOM 601 C ARG A 41 0.930 13.734 -0.022 1.00 0.00 C ATOM 602 O ARG A 41 0.424 14.707 -0.579 1.00 0.00 O ATOM 603 CB ARG A 41 1.074 11.765 -1.547 1.00 0.00 C ATOM 604 CG ARG A 41 1.985 10.882 -2.402 1.00 0.00 C ATOM 605 CD ARG A 41 1.274 10.440 -3.683 1.00 0.00 C ATOM 606 NE ARG A 41 0.698 11.616 -4.373 1.00 0.00 N ATOM 607 CZ ARG A 41 1.376 12.390 -5.231 1.00 0.00 C ATOM 608 NH1 ARG A 41 2.658 12.119 -5.509 1.00 0.00 N ATOM 609 NH2 ARG A 41 0.772 13.437 -5.810 1.00 0.00 N ATOM 0 H ARG A 41 2.514 11.287 0.505 1.00 0.00 H new ATOM 0 HA ARG A 41 2.466 13.398 -1.498 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.519 11.146 -0.842 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.340 12.260 -2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.893 11.428 -2.656 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.290 10.006 -1.830 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.977 9.930 -4.341 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.486 9.726 -3.444 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.276 11.852 -4.183 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.118 11.323 -5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.174 12.709 -6.162 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.204 13.644 -5.597 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.288 14.026 -6.463 1.00 0.00 H new ATOM 623 N GLY A 42 0.712 13.393 1.239 1.00 0.00 N ATOM 624 CA GLY A 42 -0.175 14.177 2.083 1.00 0.00 C ATOM 625 C GLY A 42 -1.523 13.477 2.261 1.00 0.00 C ATOM 626 O GLY A 42 -2.471 14.068 2.776 1.00 0.00 O ATOM 0 H GLY A 42 1.134 12.585 1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.289 14.334 3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.328 15.161 1.640 1.00 0.00 H new ATOM 630 N LEU A 43 -1.567 12.227 1.823 1.00 0.00 N ATOM 631 CA LEU A 43 -2.785 11.440 1.927 1.00 0.00 C ATOM 632 C LEU A 43 -3.115 11.212 3.404 1.00 0.00 C ATOM 633 O LEU A 43 -2.363 11.629 4.283 1.00 0.00 O ATOM 634 CB LEU A 43 -2.658 10.147 1.119 1.00 0.00 C ATOM 635 CG LEU A 43 -2.820 10.285 -0.396 1.00 0.00 C ATOM 636 CD1 LEU A 43 -2.205 9.088 -1.125 1.00 0.00 C ATOM 637 CD2 LEU A 43 -4.288 10.493 -0.774 1.00 0.00 C ATOM 0 H LEU A 43 -0.779 11.740 1.396 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.626 11.980 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.680 9.710 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.405 9.440 1.482 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.275 11.173 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.334 9.211 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.142 9.027 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.700 8.172 -0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.375 10.588 -1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.875 9.639 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.661 11.400 -0.299 1.00 0.00 H new ATOM 649 N ASN A 44 -4.240 10.550 3.630 1.00 0.00 N ATOM 650 CA ASN A 44 -4.678 10.261 4.985 1.00 0.00 C ATOM 651 C ASN A 44 -5.041 8.779 5.094 1.00 0.00 C ATOM 652 O ASN A 44 -5.334 8.132 4.090 1.00 0.00 O ATOM 653 CB ASN A 44 -5.919 11.079 5.348 1.00 0.00 C ATOM 654 CG ASN A 44 -6.012 11.293 6.860 1.00 0.00 C ATOM 655 OD1 ASN A 44 -5.641 12.327 7.391 1.00 0.00 O ATOM 656 ND2 ASN A 44 -6.526 10.260 7.522 1.00 0.00 N ATOM 0 H ASN A 44 -4.861 10.206 2.898 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.865 10.517 5.664 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.884 12.044 4.842 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.813 10.566 4.994 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.629 10.304 8.536 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.817 9.424 7.016 1.00 0.00 H new ATOM 663 N GLN A 45 -5.009 8.284 6.323 1.00 0.00 N ATOM 664 CA GLN A 45 -5.330 6.889 6.576 1.00 0.00 C ATOM 665 C GLN A 45 -6.817 6.738 6.903 1.00 0.00 C ATOM 666 O GLN A 45 -7.186 5.974 7.793 1.00 0.00 O ATOM 667 CB GLN A 45 -4.462 6.322 7.701 1.00 0.00 C ATOM 668 CG GLN A 45 -3.042 6.037 7.207 1.00 0.00 C ATOM 669 CD GLN A 45 -2.090 7.172 7.591 1.00 0.00 C ATOM 670 OE1 GLN A 45 -2.375 8.344 7.409 1.00 0.00 O ATOM 671 NE2 GLN A 45 -0.946 6.759 8.130 1.00 0.00 N ATOM 0 H GLN A 45 -4.766 8.823 7.154 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.116 6.318 5.673 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.428 7.029 8.530 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.909 5.404 8.083 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.686 5.099 7.633 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.048 5.913 6.124 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.771 5.762 8.254 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.244 7.440 8.419 1.00 0.00 H new ATOM 680 N ASP A 46 -7.631 7.478 6.164 1.00 0.00 N ATOM 681 CA ASP A 46 -9.069 7.436 6.364 1.00 0.00 C ATOM 682 C ASP A 46 -9.769 7.428 5.003 1.00 0.00 C ATOM 683 O ASP A 46 -10.635 6.592 4.752 1.00 0.00 O ATOM 684 CB ASP A 46 -9.554 8.664 7.137 1.00 0.00 C ATOM 685 CG ASP A 46 -10.753 8.418 8.056 1.00 0.00 C ATOM 686 OD1 ASP A 46 -11.885 8.435 7.528 1.00 0.00 O ATOM 687 OD2 ASP A 46 -10.509 8.218 9.265 1.00 0.00 O ATOM 0 H ASP A 46 -7.321 8.110 5.426 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.304 6.536 6.932 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.728 9.047 7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.817 9.444 6.422 1.00 0.00 H new ATOM 692 N CYS A 47 -9.366 8.368 4.161 1.00 0.00 N ATOM 693 CA CYS A 47 -9.943 8.480 2.832 1.00 0.00 C ATOM 694 C CYS A 47 -9.007 7.785 1.842 1.00 0.00 C ATOM 695 O CYS A 47 -8.922 8.180 0.680 1.00 0.00 O ATOM 696 CB CYS A 47 -10.200 9.938 2.447 1.00 0.00 C ATOM 697 SG CYS A 47 -11.711 10.548 3.279 1.00 0.00 S ATOM 0 H CYS A 47 -8.647 9.059 4.373 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.917 7.992 2.814 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.346 10.553 2.730 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.311 10.023 1.366 1.00 0.00 H new ATOM 0 HG CYS A 47 -11.919 11.788 2.947 1.00 0.00 H new ATOM 703 N CYS A 48 -8.328 6.761 2.337 1.00 0.00 N ATOM 704 CA CYS A 48 -7.401 6.007 1.510 1.00 0.00 C ATOM 705 C CYS A 48 -7.529 4.526 1.873 1.00 0.00 C ATOM 706 O CYS A 48 -7.880 4.188 3.003 1.00 0.00 O ATOM 707 CB CYS A 48 -5.965 6.511 1.666 1.00 0.00 C ATOM 708 SG CYS A 48 -5.837 8.233 1.060 1.00 0.00 S ATOM 0 H CYS A 48 -8.401 6.435 3.301 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.652 6.145 0.458 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.665 6.462 2.713 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.283 5.869 1.109 1.00 0.00 H new ATOM 0 HG CYS A 48 -6.987 8.614 0.589 1.00 0.00 H new ATOM 714 N VAL A 49 -7.237 3.682 0.894 1.00 0.00 N ATOM 715 CA VAL A 49 -7.314 2.245 1.097 1.00 0.00 C ATOM 716 C VAL A 49 -6.090 1.579 0.466 1.00 0.00 C ATOM 717 O VAL A 49 -5.488 2.125 -0.458 1.00 0.00 O ATOM 718 CB VAL A 49 -8.637 1.710 0.544 1.00 0.00 C ATOM 719 CG1 VAL A 49 -8.854 2.170 -0.899 1.00 0.00 C ATOM 720 CG2 VAL A 49 -8.697 0.185 0.649 1.00 0.00 C ATOM 0 H VAL A 49 -6.947 3.966 -0.042 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.301 2.008 2.161 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.445 2.120 1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.801 1.776 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.876 3.259 -0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.040 1.803 -1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.647 -0.170 0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.877 -0.252 0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.610 -0.111 1.694 1.00 0.00 H new ATOM 730 N VAL A 50 -5.757 0.409 0.991 1.00 0.00 N ATOM 731 CA VAL A 50 -4.615 -0.338 0.491 1.00 0.00 C ATOM 732 C VAL A 50 -5.079 -1.716 0.018 1.00 0.00 C ATOM 733 O VAL A 50 -5.775 -2.424 0.745 1.00 0.00 O ATOM 734 CB VAL A 50 -3.526 -0.409 1.564 1.00 0.00 C ATOM 735 CG1 VAL A 50 -2.251 -1.048 1.010 1.00 0.00 C ATOM 736 CG2 VAL A 50 -3.237 0.976 2.146 1.00 0.00 C ATOM 0 H VAL A 50 -6.258 -0.040 1.758 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.174 0.168 -0.368 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.894 -1.041 2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.493 -1.086 1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.470 -2.059 0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.880 -0.454 0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.460 0.896 2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.901 1.642 1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.145 1.378 2.596 1.00 0.00 H new ATOM 746 N TYR A 51 -4.676 -2.057 -1.197 1.00 0.00 N ATOM 747 CA TYR A 51 -5.042 -3.338 -1.775 1.00 0.00 C ATOM 748 C TYR A 51 -3.831 -4.269 -1.858 1.00 0.00 C ATOM 749 O TYR A 51 -2.717 -3.822 -2.127 1.00 0.00 O ATOM 750 CB TYR A 51 -5.535 -3.036 -3.192 1.00 0.00 C ATOM 751 CG TYR A 51 -6.369 -1.758 -3.301 1.00 0.00 C ATOM 752 CD1 TYR A 51 -7.353 -1.495 -2.369 1.00 0.00 C ATOM 753 CD2 TYR A 51 -6.138 -0.869 -4.331 1.00 0.00 C ATOM 754 CE1 TYR A 51 -8.138 -0.292 -2.472 1.00 0.00 C ATOM 755 CE2 TYR A 51 -6.923 0.334 -4.433 1.00 0.00 C ATOM 756 CZ TYR A 51 -7.885 0.563 -3.499 1.00 0.00 C ATOM 757 OH TYR A 51 -8.626 1.699 -3.596 1.00 0.00 O ATOM 0 H TYR A 51 -4.099 -1.468 -1.797 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.798 -3.832 -1.165 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.674 -2.954 -3.855 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.131 -3.878 -3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.534 -2.191 -1.563 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.369 -1.075 -5.060 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.911 -0.074 -1.750 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.752 1.039 -5.233 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.840 1.871 -4.537 1.00 0.00 H new ATOM 767 N ARG A 52 -4.089 -5.547 -1.620 1.00 0.00 N ATOM 768 CA ARG A 52 -3.034 -6.545 -1.664 1.00 0.00 C ATOM 769 C ARG A 52 -3.284 -7.533 -2.805 1.00 0.00 C ATOM 770 O ARG A 52 -4.426 -7.912 -3.062 1.00 0.00 O ATOM 771 CB ARG A 52 -2.947 -7.313 -0.343 1.00 0.00 C ATOM 772 CG ARG A 52 -3.092 -6.368 0.851 1.00 0.00 C ATOM 773 CD ARG A 52 -3.170 -7.150 2.164 1.00 0.00 C ATOM 774 NE ARG A 52 -4.534 -7.694 2.348 1.00 0.00 N ATOM 775 CZ ARG A 52 -4.824 -8.752 3.118 1.00 0.00 C ATOM 776 NH1 ARG A 52 -3.847 -9.385 3.781 1.00 0.00 N ATOM 777 NH2 ARG A 52 -6.090 -9.175 3.226 1.00 0.00 N ATOM 0 H ARG A 52 -5.014 -5.914 -1.396 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.092 -6.024 -1.831 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.728 -8.072 -0.307 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.992 -7.835 -0.284 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.245 -5.683 0.882 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.989 -5.761 0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.443 -7.962 2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.913 -6.500 3.000 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.302 -7.235 1.858 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.883 -9.062 3.700 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.067 -10.190 4.367 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.834 -8.692 2.722 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.310 -9.980 3.812 1.00 0.00 H new ATOM 791 N LEU A 53 -2.199 -7.921 -3.458 1.00 0.00 N ATOM 792 CA LEU A 53 -2.287 -8.857 -4.565 1.00 0.00 C ATOM 793 C LEU A 53 -2.145 -10.284 -4.033 1.00 0.00 C ATOM 794 O LEU A 53 -1.032 -10.769 -3.835 1.00 0.00 O ATOM 795 CB LEU A 53 -1.268 -8.501 -5.650 1.00 0.00 C ATOM 796 CG LEU A 53 -1.764 -7.567 -6.755 1.00 0.00 C ATOM 797 CD1 LEU A 53 -2.338 -8.362 -7.929 1.00 0.00 C ATOM 798 CD2 LEU A 53 -2.767 -6.551 -6.206 1.00 0.00 C ATOM 0 H LEU A 53 -1.254 -7.604 -3.242 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.264 -8.790 -5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.404 -8.039 -5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.921 -9.425 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.911 -7.004 -7.134 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.683 -7.674 -8.700 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.565 -9.011 -8.341 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.175 -8.969 -7.583 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.103 -5.900 -7.013 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.623 -7.077 -5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.290 -5.952 -5.430 1.00 0.00 H new ATOM 810 N ILE A 54 -3.289 -10.917 -3.817 1.00 0.00 N ATOM 811 CA ILE A 54 -3.306 -12.279 -3.311 1.00 0.00 C ATOM 812 C ILE A 54 -3.504 -13.249 -4.478 1.00 0.00 C ATOM 813 O ILE A 54 -2.572 -13.947 -4.874 1.00 0.00 O ATOM 814 CB ILE A 54 -4.353 -12.427 -2.205 1.00 0.00 C ATOM 815 CG1 ILE A 54 -3.834 -11.863 -0.880 1.00 0.00 C ATOM 816 CG2 ILE A 54 -4.806 -13.882 -2.070 1.00 0.00 C ATOM 817 CD1 ILE A 54 -4.404 -10.468 -0.618 1.00 0.00 C ATOM 0 H ILE A 54 -4.210 -10.512 -3.983 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.350 -12.525 -2.849 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.229 -11.842 -2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.108 -12.531 -0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.745 -11.817 -0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.550 -13.959 -1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.243 -14.216 -3.011 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.949 -14.509 -1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.020 -10.090 0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.107 -9.797 -1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.492 -10.522 -0.573 1.00 0.00 H new ATOM 829 N LYS A 55 -4.724 -13.262 -4.995 1.00 0.00 N ATOM 830 CA LYS A 55 -5.055 -14.135 -6.108 1.00 0.00 C ATOM 831 C LYS A 55 -5.220 -13.295 -7.377 1.00 0.00 C ATOM 832 O LYS A 55 -6.091 -13.573 -8.200 1.00 0.00 O ATOM 833 CB LYS A 55 -6.279 -14.989 -5.773 1.00 0.00 C ATOM 834 CG LYS A 55 -5.935 -16.480 -5.815 1.00 0.00 C ATOM 835 CD LYS A 55 -5.922 -17.079 -4.407 1.00 0.00 C ATOM 836 CE LYS A 55 -4.637 -17.872 -4.160 1.00 0.00 C ATOM 837 NZ LYS A 55 -4.892 -18.996 -3.232 1.00 0.00 N ATOM 0 H LYS A 55 -5.495 -12.682 -4.664 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.245 -14.840 -6.294 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.651 -14.726 -4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.080 -14.777 -6.481 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.662 -17.008 -6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.960 -16.619 -6.282 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.010 -16.282 -3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.786 -17.730 -4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.251 -18.254 -5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.872 -17.216 -3.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.010 -19.524 -3.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.240 -18.625 -2.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.606 -19.630 -3.643 1.00 0.00 H new ATOM 851 N GLY A 56 -4.371 -12.286 -7.495 1.00 0.00 N ATOM 852 CA GLY A 56 -4.411 -11.404 -8.649 1.00 0.00 C ATOM 853 C GLY A 56 -5.616 -10.464 -8.578 1.00 0.00 C ATOM 854 O GLY A 56 -6.184 -10.099 -9.606 1.00 0.00 O ATOM 0 H GLY A 56 -3.650 -12.059 -6.810 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.492 -10.820 -8.697 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.460 -11.996 -9.563 1.00 0.00 H new ATOM 858 N ARG A 57 -5.969 -10.098 -7.355 1.00 0.00 N ATOM 859 CA ARG A 57 -7.096 -9.206 -7.137 1.00 0.00 C ATOM 860 C ARG A 57 -6.784 -8.223 -6.007 1.00 0.00 C ATOM 861 O ARG A 57 -6.115 -8.579 -5.037 1.00 0.00 O ATOM 862 CB ARG A 57 -8.360 -9.993 -6.785 1.00 0.00 C ATOM 863 CG ARG A 57 -8.150 -10.834 -5.524 1.00 0.00 C ATOM 864 CD ARG A 57 -8.519 -12.297 -5.773 1.00 0.00 C ATOM 865 NE ARG A 57 -8.918 -12.942 -4.502 1.00 0.00 N ATOM 866 CZ ARG A 57 -9.553 -14.119 -4.423 1.00 0.00 C ATOM 867 NH1 ARG A 57 -9.865 -14.788 -5.542 1.00 0.00 N ATOM 868 NH2 ARG A 57 -9.875 -14.628 -3.227 1.00 0.00 N ATOM 0 H ARG A 57 -5.495 -10.402 -6.505 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.269 -8.657 -8.063 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.191 -9.304 -6.633 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.632 -10.642 -7.618 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.109 -10.767 -5.207 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.757 -10.435 -4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.335 -12.357 -6.493 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.671 -12.826 -6.208 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.695 -12.460 -3.631 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.619 -14.401 -6.453 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.348 -15.684 -5.482 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.637 -14.120 -2.375 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.358 -15.524 -3.168 1.00 0.00 H new ATOM 882 N LYS A 58 -7.283 -7.007 -6.169 1.00 0.00 N ATOM 883 CA LYS A 58 -7.066 -5.970 -5.174 1.00 0.00 C ATOM 884 C LYS A 58 -7.765 -6.364 -3.872 1.00 0.00 C ATOM 885 O LYS A 58 -8.969 -6.159 -3.723 1.00 0.00 O ATOM 886 CB LYS A 58 -7.500 -4.607 -5.717 1.00 0.00 C ATOM 887 CG LYS A 58 -6.311 -3.849 -6.310 1.00 0.00 C ATOM 888 CD LYS A 58 -5.561 -4.714 -7.326 1.00 0.00 C ATOM 889 CE LYS A 58 -5.283 -3.932 -8.612 1.00 0.00 C ATOM 890 NZ LYS A 58 -4.819 -4.843 -9.682 1.00 0.00 N ATOM 0 H LYS A 58 -7.837 -6.716 -6.974 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.004 -5.874 -4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.266 -4.743 -6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.948 -4.019 -4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.661 -2.936 -6.792 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.632 -3.548 -5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.621 -5.056 -6.894 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.148 -5.603 -7.556 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.187 -3.415 -8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.529 -3.168 -8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.635 -4.297 -10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.944 -5.317 -9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.551 -5.556 -9.872 1.00 0.00 H new ATOM 904 N THR A 59 -6.981 -6.923 -2.962 1.00 0.00 N ATOM 905 CA THR A 59 -7.510 -7.348 -1.677 1.00 0.00 C ATOM 906 C THR A 59 -7.249 -6.279 -0.613 1.00 0.00 C ATOM 907 O THR A 59 -6.159 -6.214 -0.048 1.00 0.00 O ATOM 908 CB THR A 59 -6.893 -8.706 -1.337 1.00 0.00 C ATOM 909 OG1 THR A 59 -7.456 -9.593 -2.300 1.00 0.00 O ATOM 910 CG2 THR A 59 -7.384 -9.253 0.005 1.00 0.00 C ATOM 0 H THR A 59 -5.983 -7.092 -3.089 1.00 0.00 H new ATOM 0 HA THR A 59 -8.593 -7.467 -1.715 1.00 0.00 H new ATOM 0 HB THR A 59 -5.807 -8.617 -1.317 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.018 -9.456 -3.166 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.916 -10.218 0.198 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.120 -8.556 0.800 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.467 -9.375 -0.026 1.00 0.00 H new ATOM 918 N VAL A 60 -8.269 -5.468 -0.374 1.00 0.00 N ATOM 919 CA VAL A 60 -8.164 -4.405 0.612 1.00 0.00 C ATOM 920 C VAL A 60 -7.485 -4.948 1.871 1.00 0.00 C ATOM 921 O VAL A 60 -7.502 -6.153 2.119 1.00 0.00 O ATOM 922 CB VAL A 60 -9.546 -3.809 0.888 1.00 0.00 C ATOM 923 CG1 VAL A 60 -9.515 -2.902 2.120 1.00 0.00 C ATOM 924 CG2 VAL A 60 -10.072 -3.055 -0.335 1.00 0.00 C ATOM 0 H VAL A 60 -9.172 -5.525 -0.846 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.544 -3.593 0.233 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.231 -4.631 1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.509 -2.491 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.204 -3.480 2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.810 -2.088 1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.056 -2.641 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.386 -2.246 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.149 -3.740 -1.179 1.00 0.00 H new ATOM 934 N THR A 61 -6.902 -4.034 2.632 1.00 0.00 N ATOM 935 CA THR A 61 -6.219 -4.406 3.859 1.00 0.00 C ATOM 936 C THR A 61 -6.533 -3.402 4.970 1.00 0.00 C ATOM 937 O THR A 61 -6.878 -2.254 4.695 1.00 0.00 O ATOM 938 CB THR A 61 -4.725 -4.523 3.551 1.00 0.00 C ATOM 939 OG1 THR A 61 -4.272 -5.563 4.414 1.00 0.00 O ATOM 940 CG2 THR A 61 -3.935 -3.293 4.003 1.00 0.00 C ATOM 0 H THR A 61 -6.889 -3.036 2.422 1.00 0.00 H new ATOM 0 HA THR A 61 -6.567 -5.371 4.228 1.00 0.00 H new ATOM 0 HB THR A 61 -4.587 -4.669 2.480 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.344 -5.390 4.676 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.881 -3.428 3.761 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.314 -2.409 3.491 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.046 -3.165 5.080 1.00 0.00 H new ATOM 948 N ALA A 62 -6.402 -3.872 6.202 1.00 0.00 N ATOM 949 CA ALA A 62 -6.668 -3.030 7.356 1.00 0.00 C ATOM 950 C ALA A 62 -5.423 -2.201 7.675 1.00 0.00 C ATOM 951 O ALA A 62 -4.326 -2.523 7.221 1.00 0.00 O ATOM 952 CB ALA A 62 -7.105 -3.903 8.535 1.00 0.00 C ATOM 0 H ALA A 62 -6.115 -4.825 6.426 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.481 -2.336 7.145 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.305 -3.272 9.401 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.010 -4.449 8.268 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.312 -4.611 8.777 1.00 0.00 H new ATOM 958 N TRP A 63 -5.634 -1.150 8.453 1.00 0.00 N ATOM 959 CA TRP A 63 -4.542 -0.272 8.838 1.00 0.00 C ATOM 960 C TRP A 63 -3.920 -0.826 10.121 1.00 0.00 C ATOM 961 O TRP A 63 -2.698 -0.883 10.249 1.00 0.00 O ATOM 962 CB TRP A 63 -5.024 1.173 8.983 1.00 0.00 C ATOM 963 CG TRP A 63 -5.463 1.817 7.666 1.00 0.00 C ATOM 964 CD1 TRP A 63 -6.703 2.156 7.287 1.00 0.00 C ATOM 965 CD2 TRP A 63 -4.609 2.188 6.563 1.00 0.00 C ATOM 966 NE1 TRP A 63 -6.710 2.716 6.025 1.00 0.00 N ATOM 967 CE2 TRP A 63 -5.397 2.736 5.572 1.00 0.00 C ATOM 968 CE3 TRP A 63 -3.217 2.064 6.409 1.00 0.00 C ATOM 969 CZ2 TRP A 63 -4.883 3.204 4.356 1.00 0.00 C ATOM 970 CZ3 TRP A 63 -2.720 2.536 5.189 1.00 0.00 C ATOM 971 CH2 TRP A 63 -3.499 3.091 4.180 1.00 0.00 C ATOM 0 H TRP A 63 -6.545 -0.886 8.828 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.777 -0.246 8.062 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.858 1.198 9.684 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.223 1.770 9.419 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.585 2.010 7.892 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.529 3.053 5.518 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.582 1.638 7.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -5.520 3.629 3.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -1.656 2.464 5.019 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.039 3.433 3.265 1.00 0.00 H new ATOM 982 N ASP A 64 -4.789 -1.220 11.040 1.00 0.00 N ATOM 983 CA ASP A 64 -4.341 -1.768 12.309 1.00 0.00 C ATOM 984 C ASP A 64 -3.507 -3.024 12.051 1.00 0.00 C ATOM 985 O ASP A 64 -2.660 -3.389 12.865 1.00 0.00 O ATOM 986 CB ASP A 64 -5.528 -2.160 13.190 1.00 0.00 C ATOM 987 CG ASP A 64 -6.076 -1.039 14.075 1.00 0.00 C ATOM 988 OD1 ASP A 64 -5.241 -0.277 14.608 1.00 0.00 O ATOM 989 OD2 ASP A 64 -7.318 -0.968 14.197 1.00 0.00 O ATOM 0 H ASP A 64 -5.802 -1.171 10.931 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.753 -1.004 12.817 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.332 -2.522 12.550 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.229 -2.992 13.827 1.00 0.00 H new ATOM 994 N THR A 65 -3.776 -3.652 10.916 1.00 0.00 N ATOM 995 CA THR A 65 -3.062 -4.860 10.541 1.00 0.00 C ATOM 996 C THR A 65 -1.553 -4.657 10.695 1.00 0.00 C ATOM 997 O THR A 65 -1.093 -3.538 10.920 1.00 0.00 O ATOM 998 CB THR A 65 -3.482 -5.235 9.118 1.00 0.00 C ATOM 999 OG1 THR A 65 -4.829 -5.677 9.259 1.00 0.00 O ATOM 1000 CG2 THR A 65 -2.739 -6.467 8.594 1.00 0.00 C ATOM 0 H THR A 65 -4.479 -3.346 10.243 1.00 0.00 H new ATOM 0 HA THR A 65 -3.316 -5.690 11.200 1.00 0.00 H new ATOM 0 HB THR A 65 -3.302 -4.391 8.452 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.129 -6.086 8.420 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.074 -6.690 7.581 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.667 -6.270 8.587 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.946 -7.319 9.241 1.00 0.00 H new ATOM 1008 N ALA A 66 -0.824 -5.756 10.569 1.00 0.00 N ATOM 1009 CA ALA A 66 0.623 -5.713 10.692 1.00 0.00 C ATOM 1010 C ALA A 66 1.247 -5.652 9.296 1.00 0.00 C ATOM 1011 O ALA A 66 0.557 -5.836 8.295 1.00 0.00 O ATOM 1012 CB ALA A 66 1.104 -6.924 11.494 1.00 0.00 C ATOM 0 H ALA A 66 -1.209 -6.682 10.383 1.00 0.00 H new ATOM 0 HA ALA A 66 0.936 -4.820 11.233 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.190 -6.892 11.586 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.655 -6.905 12.487 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.811 -7.840 10.981 1.00 0.00 H new ATOM 1018 N ILE A 67 2.547 -5.394 9.275 1.00 0.00 N ATOM 1019 CA ILE A 67 3.272 -5.307 8.019 1.00 0.00 C ATOM 1020 C ILE A 67 4.147 -6.551 7.853 1.00 0.00 C ATOM 1021 O ILE A 67 4.957 -6.626 6.930 1.00 0.00 O ATOM 1022 CB ILE A 67 4.050 -3.992 7.940 1.00 0.00 C ATOM 1023 CG1 ILE A 67 4.555 -3.739 6.518 1.00 0.00 C ATOM 1024 CG2 ILE A 67 5.186 -3.965 8.965 1.00 0.00 C ATOM 1025 CD1 ILE A 67 3.629 -2.778 5.770 1.00 0.00 C ATOM 0 H ILE A 67 3.116 -5.243 10.108 1.00 0.00 H new ATOM 0 HA ILE A 67 2.578 -5.291 7.178 1.00 0.00 H new ATOM 0 HB ILE A 67 3.371 -3.177 8.190 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.562 -3.324 6.554 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.618 -4.683 5.977 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.723 -3.020 8.888 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.773 -4.067 9.969 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.872 -4.789 8.770 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.011 -2.615 4.762 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.628 -3.207 5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.587 -1.827 6.300 1.00 0.00 H new ATOM 1037 N ALA A 68 3.955 -7.496 8.761 1.00 0.00 N ATOM 1038 CA ALA A 68 4.716 -8.733 8.727 1.00 0.00 C ATOM 1039 C ALA A 68 4.235 -9.591 7.555 1.00 0.00 C ATOM 1040 O ALA A 68 5.030 -9.985 6.703 1.00 0.00 O ATOM 1041 CB ALA A 68 4.582 -9.453 10.071 1.00 0.00 C ATOM 0 H ALA A 68 3.283 -7.430 9.525 1.00 0.00 H new ATOM 0 HA ALA A 68 5.775 -8.527 8.572 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.153 -10.381 10.045 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.965 -8.813 10.866 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.532 -9.678 10.260 1.00 0.00 H new ATOM 1047 N PRO A 69 2.903 -9.862 7.550 1.00 0.00 N ATOM 1048 CA PRO A 69 2.306 -10.666 6.497 1.00 0.00 C ATOM 1049 C PRO A 69 2.184 -9.866 5.199 1.00 0.00 C ATOM 1050 O PRO A 69 1.089 -9.720 4.656 1.00 0.00 O ATOM 1051 CB PRO A 69 0.962 -11.107 7.052 1.00 0.00 C ATOM 1052 CG PRO A 69 0.654 -10.160 8.200 1.00 0.00 C ATOM 1053 CD PRO A 69 1.932 -9.412 8.543 1.00 0.00 C ATOM 0 HA PRO A 69 2.915 -11.530 6.232 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.188 -11.057 6.286 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.002 -12.140 7.398 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.133 -9.461 7.918 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.292 -10.715 9.066 1.00 0.00 H new ATOM 0 HD2 PRO A 69 1.785 -8.333 8.492 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.265 -9.641 9.555 1.00 0.00 H new ATOM 1061 N LEU A 70 3.322 -9.368 4.738 1.00 0.00 N ATOM 1062 CA LEU A 70 3.356 -8.585 3.514 1.00 0.00 C ATOM 1063 C LEU A 70 4.611 -8.947 2.718 1.00 0.00 C ATOM 1064 O LEU A 70 4.548 -9.131 1.503 1.00 0.00 O ATOM 1065 CB LEU A 70 3.235 -7.093 3.829 1.00 0.00 C ATOM 1066 CG LEU A 70 1.821 -6.577 4.102 1.00 0.00 C ATOM 1067 CD1 LEU A 70 0.858 -7.003 2.993 1.00 0.00 C ATOM 1068 CD2 LEU A 70 1.335 -7.017 5.485 1.00 0.00 C ATOM 0 H LEU A 70 4.228 -9.492 5.190 1.00 0.00 H new ATOM 0 HA LEU A 70 2.499 -8.824 2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.854 -6.874 4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.650 -6.531 2.993 1.00 0.00 H new ATOM 0 HG LEU A 70 1.849 -5.487 4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.140 -6.623 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.199 -6.599 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.828 -8.091 2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.327 -6.637 5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.326 -8.106 5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.005 -6.622 6.249 1.00 0.00 H new ATOM 1080 N ASP A 71 5.722 -9.038 3.434 1.00 0.00 N ATOM 1081 CA ASP A 71 6.990 -9.374 2.809 1.00 0.00 C ATOM 1082 C ASP A 71 6.732 -10.247 1.579 1.00 0.00 C ATOM 1083 O ASP A 71 6.147 -11.324 1.690 1.00 0.00 O ATOM 1084 CB ASP A 71 7.885 -10.161 3.768 1.00 0.00 C ATOM 1085 CG ASP A 71 9.011 -10.952 3.100 1.00 0.00 C ATOM 1086 OD1 ASP A 71 9.653 -10.372 2.197 1.00 0.00 O ATOM 1087 OD2 ASP A 71 9.205 -12.118 3.506 1.00 0.00 O ATOM 0 H ASP A 71 5.770 -8.885 4.441 1.00 0.00 H new ATOM 0 HA ASP A 71 7.487 -8.444 2.533 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.325 -9.466 4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.263 -10.853 4.336 1.00 0.00 H new ATOM 1092 N GLY A 72 7.179 -9.750 0.436 1.00 0.00 N ATOM 1093 CA GLY A 72 7.004 -10.472 -0.813 1.00 0.00 C ATOM 1094 C GLY A 72 5.593 -10.271 -1.369 1.00 0.00 C ATOM 1095 O GLY A 72 4.859 -11.237 -1.573 1.00 0.00 O ATOM 0 H GLY A 72 7.662 -8.856 0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.738 -10.129 -1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.187 -11.534 -0.652 1.00 0.00 H new ATOM 1099 N GLU A 73 5.255 -9.011 -1.598 1.00 0.00 N ATOM 1100 CA GLU A 73 3.945 -8.671 -2.126 1.00 0.00 C ATOM 1101 C GLU A 73 3.957 -7.255 -2.706 1.00 0.00 C ATOM 1102 O GLU A 73 5.018 -6.653 -2.861 1.00 0.00 O ATOM 1103 CB GLU A 73 2.866 -8.814 -1.050 1.00 0.00 C ATOM 1104 CG GLU A 73 2.997 -7.715 0.006 1.00 0.00 C ATOM 1105 CD GLU A 73 2.214 -6.465 -0.403 1.00 0.00 C ATOM 1106 OE1 GLU A 73 1.093 -6.644 -0.925 1.00 0.00 O ATOM 1107 OE2 GLU A 73 2.756 -5.360 -0.185 1.00 0.00 O ATOM 0 H GLU A 73 5.866 -8.212 -1.427 1.00 0.00 H new ATOM 0 HA GLU A 73 3.706 -9.369 -2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.879 -8.765 -1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.948 -9.792 -0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.629 -8.081 0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.048 -7.461 0.143 1.00 0.00 H new ATOM 1114 N GLU A 74 2.764 -6.765 -3.010 1.00 0.00 N ATOM 1115 CA GLU A 74 2.624 -5.431 -3.570 1.00 0.00 C ATOM 1116 C GLU A 74 1.312 -4.796 -3.106 1.00 0.00 C ATOM 1117 O GLU A 74 0.231 -5.264 -3.463 1.00 0.00 O ATOM 1118 CB GLU A 74 2.706 -5.466 -5.097 1.00 0.00 C ATOM 1119 CG GLU A 74 4.124 -5.149 -5.577 1.00 0.00 C ATOM 1120 CD GLU A 74 4.350 -5.666 -7.000 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.354 -5.704 -7.754 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.513 -6.010 -7.301 1.00 0.00 O ATOM 0 H GLU A 74 1.886 -7.267 -2.879 1.00 0.00 H new ATOM 0 HA GLU A 74 3.450 -4.818 -3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.407 -6.450 -5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.006 -4.745 -5.519 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.290 -4.072 -5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.850 -5.602 -4.902 1.00 0.00 H new ATOM 1129 N LEU A 75 1.448 -3.741 -2.317 1.00 0.00 N ATOM 1130 CA LEU A 75 0.287 -3.037 -1.801 1.00 0.00 C ATOM 1131 C LEU A 75 -0.030 -1.848 -2.710 1.00 0.00 C ATOM 1132 O LEU A 75 0.877 -1.155 -3.170 1.00 0.00 O ATOM 1133 CB LEU A 75 0.502 -2.651 -0.336 1.00 0.00 C ATOM 1134 CG LEU A 75 0.556 -3.810 0.662 1.00 0.00 C ATOM 1135 CD1 LEU A 75 1.783 -3.695 1.569 1.00 0.00 C ATOM 1136 CD2 LEU A 75 -0.743 -3.903 1.465 1.00 0.00 C ATOM 0 H LEU A 75 2.346 -3.356 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.588 -3.687 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.434 -2.090 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.301 -1.977 -0.037 1.00 0.00 H new ATOM 0 HG LEU A 75 0.655 -4.739 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.798 -4.531 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.688 -3.715 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.739 -2.758 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.678 -4.735 2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.898 -2.975 2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.580 -4.066 0.786 1.00 0.00 H new ATOM 1148 N ILE A 76 -1.319 -1.647 -2.941 1.00 0.00 N ATOM 1149 CA ILE A 76 -1.766 -0.554 -3.787 1.00 0.00 C ATOM 1150 C ILE A 76 -2.563 0.444 -2.945 1.00 0.00 C ATOM 1151 O ILE A 76 -3.647 0.125 -2.459 1.00 0.00 O ATOM 1152 CB ILE A 76 -2.535 -1.091 -4.996 1.00 0.00 C ATOM 1153 CG1 ILE A 76 -1.595 -1.802 -5.972 1.00 0.00 C ATOM 1154 CG2 ILE A 76 -3.333 0.022 -5.677 1.00 0.00 C ATOM 1155 CD1 ILE A 76 -2.385 -2.626 -6.991 1.00 0.00 C ATOM 0 H ILE A 76 -2.068 -2.223 -2.557 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.911 -0.015 -4.196 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.253 -1.831 -4.643 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.980 -1.067 -6.491 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.916 -2.453 -5.420 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.870 -0.387 -6.533 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.046 0.444 -4.969 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.652 0.803 -6.015 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.694 -3.121 -7.673 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.980 -3.376 -6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.045 -1.969 -7.557 1.00 0.00 H new ATOM 1167 N VAL A 77 -1.996 1.632 -2.798 1.00 0.00 N ATOM 1168 CA VAL A 77 -2.640 2.679 -2.023 1.00 0.00 C ATOM 1169 C VAL A 77 -3.508 3.532 -2.949 1.00 0.00 C ATOM 1170 O VAL A 77 -3.052 3.971 -4.004 1.00 0.00 O ATOM 1171 CB VAL A 77 -1.588 3.495 -1.269 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -2.242 4.614 -0.455 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -0.733 2.594 -0.375 1.00 0.00 C ATOM 0 H VAL A 77 -1.097 1.893 -3.203 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.297 2.246 -1.269 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.931 3.957 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.472 5.179 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.787 5.280 -1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.933 4.181 0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.007 3.199 0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.371 2.091 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.225 1.850 -0.988 1.00 0.00 H new ATOM 1183 N GLU A 78 -4.744 3.743 -2.521 1.00 0.00 N ATOM 1184 CA GLU A 78 -5.680 4.537 -3.299 1.00 0.00 C ATOM 1185 C GLU A 78 -6.534 5.407 -2.375 1.00 0.00 C ATOM 1186 O GLU A 78 -6.478 5.264 -1.154 1.00 0.00 O ATOM 1187 CB GLU A 78 -6.559 3.643 -4.177 1.00 0.00 C ATOM 1188 CG GLU A 78 -6.110 3.699 -5.639 1.00 0.00 C ATOM 1189 CD GLU A 78 -7.161 4.393 -6.509 1.00 0.00 C ATOM 1190 OE1 GLU A 78 -8.358 4.235 -6.187 1.00 0.00 O ATOM 1191 OE2 GLU A 78 -6.742 5.065 -7.475 1.00 0.00 O ATOM 0 H GLU A 78 -5.119 3.378 -1.646 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.111 5.192 -3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.512 2.615 -3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.599 3.961 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.162 4.233 -5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.936 2.688 -6.009 1.00 0.00 H new ATOM 1198 N VAL A 79 -7.305 6.291 -2.992 1.00 0.00 N ATOM 1199 CA VAL A 79 -8.169 7.185 -2.240 1.00 0.00 C ATOM 1200 C VAL A 79 -9.601 6.647 -2.270 1.00 0.00 C ATOM 1201 O VAL A 79 -10.112 6.289 -3.330 1.00 0.00 O ATOM 1202 CB VAL A 79 -8.054 8.608 -2.789 1.00 0.00 C ATOM 1203 CG1 VAL A 79 -9.094 9.529 -2.148 1.00 0.00 C ATOM 1204 CG2 VAL A 79 -6.639 9.158 -2.592 1.00 0.00 C ATOM 0 H VAL A 79 -7.349 6.407 -4.004 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.859 7.228 -1.196 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.254 8.571 -3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.990 10.534 -2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.094 9.152 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.939 9.557 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.584 10.171 -2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.399 9.173 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.925 8.522 -3.116 1.00 0.00 H new ATOM 1214 N LEU A 80 -10.209 6.607 -1.093 1.00 0.00 N ATOM 1215 CA LEU A 80 -11.572 6.119 -0.971 1.00 0.00 C ATOM 1216 C LEU A 80 -12.537 7.171 -1.520 1.00 0.00 C ATOM 1217 O LEU A 80 -13.223 6.931 -2.513 1.00 0.00 O ATOM 1218 CB LEU A 80 -11.867 5.709 0.473 1.00 0.00 C ATOM 1219 CG LEU A 80 -11.099 4.493 0.995 1.00 0.00 C ATOM 1220 CD1 LEU A 80 -10.847 4.607 2.500 1.00 0.00 C ATOM 1221 CD2 LEU A 80 -11.818 3.192 0.632 1.00 0.00 C ATOM 0 H LEU A 80 -9.782 6.905 -0.216 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.708 5.218 -1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.650 6.557 1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.934 5.505 0.561 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.125 4.470 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.300 3.730 2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.261 5.503 2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -11.800 4.669 3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.251 2.344 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -12.814 3.191 1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.902 3.113 -0.452 1.00 0.00 H new ATOM 1233 N SER A 81 -12.559 8.315 -0.852 1.00 0.00 N ATOM 1234 CA SER A 81 -13.428 9.404 -1.261 1.00 0.00 C ATOM 1235 C SER A 81 -12.769 10.206 -2.385 1.00 0.00 C ATOM 1236 O SER A 81 -11.800 10.927 -2.151 1.00 0.00 O ATOM 1237 CB SER A 81 -13.758 10.319 -0.079 1.00 0.00 C ATOM 1238 OG SER A 81 -15.153 10.599 0.005 1.00 0.00 O ATOM 0 H SER A 81 -11.988 8.511 -0.030 1.00 0.00 H new ATOM 0 HA SER A 81 -14.362 8.977 -1.627 1.00 0.00 H new ATOM 0 HB2 SER A 81 -13.426 9.849 0.847 1.00 0.00 H new ATOM 0 HB3 SER A 81 -13.206 11.253 -0.178 1.00 0.00 H new ATOM 0 HG SER A 81 -15.324 11.184 0.772 1.00 0.00 H new ATOM 1244 N GLY A 82 -13.320 10.053 -3.580 1.00 0.00 N ATOM 1245 CA GLY A 82 -12.798 10.754 -4.740 1.00 0.00 C ATOM 1246 C GLY A 82 -12.915 9.894 -5.999 1.00 0.00 C ATOM 1247 O GLY A 82 -13.882 10.015 -6.750 1.00 0.00 O ATOM 0 H GLY A 82 -14.123 9.453 -3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.343 11.687 -4.881 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.754 11.017 -4.571 1.00 0.00 H new ATOM 1251 N PRO A 83 -11.891 9.021 -6.197 1.00 0.00 N ATOM 1252 CA PRO A 83 -11.870 8.140 -7.352 1.00 0.00 C ATOM 1253 C PRO A 83 -12.864 6.989 -7.182 1.00 0.00 C ATOM 1254 O PRO A 83 -12.746 6.196 -6.250 1.00 0.00 O ATOM 1255 CB PRO A 83 -10.429 7.670 -7.462 1.00 0.00 C ATOM 1256 CG PRO A 83 -9.800 7.930 -6.103 1.00 0.00 C ATOM 1257 CD PRO A 83 -10.730 8.850 -5.329 1.00 0.00 C ATOM 0 HA PRO A 83 -12.182 8.640 -8.269 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -10.382 6.611 -7.718 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -9.901 8.211 -8.247 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -9.654 6.994 -5.564 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -8.818 8.388 -6.218 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.013 8.412 -4.372 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.252 9.806 -5.114 1.00 0.00 H new ATOM 1265 N SER A 84 -13.820 6.935 -8.098 1.00 0.00 N ATOM 1266 CA SER A 84 -14.833 5.894 -8.061 1.00 0.00 C ATOM 1267 C SER A 84 -14.171 4.525 -7.890 1.00 0.00 C ATOM 1268 O SER A 84 -13.158 4.237 -8.526 1.00 0.00 O ATOM 1269 CB SER A 84 -15.690 5.914 -9.328 1.00 0.00 C ATOM 1270 OG SER A 84 -16.975 5.339 -9.113 1.00 0.00 O ATOM 0 H SER A 84 -13.914 7.595 -8.870 1.00 0.00 H new ATOM 0 HA SER A 84 -15.487 6.083 -7.210 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.806 6.942 -9.671 1.00 0.00 H new ATOM 0 HB3 SER A 84 -15.177 5.369 -10.121 1.00 0.00 H new ATOM 0 HG SER A 84 -16.991 4.429 -9.477 1.00 0.00 H new ATOM 1276 N SER A 85 -14.770 3.718 -7.027 1.00 0.00 N ATOM 1277 CA SER A 85 -14.252 2.386 -6.764 1.00 0.00 C ATOM 1278 C SER A 85 -14.654 1.435 -7.893 1.00 0.00 C ATOM 1279 O SER A 85 -13.797 0.840 -8.544 1.00 0.00 O ATOM 1280 CB SER A 85 -14.753 1.856 -5.419 1.00 0.00 C ATOM 1281 OG SER A 85 -16.175 1.870 -5.336 1.00 0.00 O ATOM 0 H SER A 85 -15.609 3.961 -6.501 1.00 0.00 H new ATOM 0 HA SER A 85 -13.165 2.445 -6.718 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.391 0.838 -5.273 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.337 2.461 -4.613 1.00 0.00 H new ATOM 0 HG SER A 85 -16.455 1.523 -4.463 1.00 0.00 H new ATOM 1287 N GLY A 86 -15.960 1.322 -8.091 1.00 0.00 N ATOM 1288 CA GLY A 86 -16.486 0.453 -9.130 1.00 0.00 C ATOM 1289 C GLY A 86 -16.479 1.157 -10.489 1.00 0.00 C ATOM 1290 O GLY A 86 -16.458 2.385 -10.555 1.00 0.00 O ATOM 0 H GLY A 86 -16.668 1.818 -7.550 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.889 -0.457 -9.185 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -17.503 0.152 -8.877 1.00 0.00 H new TER 1294 GLY A 86