USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 682 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 43 SER OG : rot -156:sc= 0.0186 USER MOD Set 1.2: A 58 GLN : amide:sc= 0.0214 K(o=0.04,f=-0.88) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl -149:sc= -0.384 (180deg=-1.79!) USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -100:sc= -0.861 USER MOD Single : A 16 SER OG : rot 129:sc= 0.521 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0391 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -97:sc= -0.29 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 170:sc= -0.263 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 2:sc= 1.69 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00779 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0874 X(o=-0.087,f=-0.1) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= -1.13 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.0458) USER MOD Single : A 79 ASN : amide:sc= -0.0842 X(o=-0.084,f=0) USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 49.348 -18.439 24.204 1.00 0.00 N ATOM 2 CA GLY A -3 48.680 -18.175 25.510 1.00 0.00 C ATOM 3 C GLY A -3 49.057 -16.777 26.005 1.00 0.00 C ATOM 4 O GLY A -3 48.200 -15.955 26.272 1.00 0.00 O ATOM 0 H1 GLY A -3 49.091 -19.389 23.869 1.00 0.00 H new ATOM 0 H2 GLY A -3 49.040 -17.731 23.507 1.00 0.00 H new ATOM 0 H3 GLY A -3 50.379 -18.381 24.324 1.00 0.00 H new ATOM 0 HA2 GLY A -3 47.598 -18.253 25.399 1.00 0.00 H new ATOM 0 HA3 GLY A -3 48.981 -18.925 26.242 1.00 0.00 H new ATOM 10 N ALA A -2 50.334 -16.507 26.127 1.00 0.00 N ATOM 11 CA ALA A -2 50.783 -15.164 26.605 1.00 0.00 C ATOM 12 C ALA A -2 52.075 -14.754 25.893 1.00 0.00 C ATOM 13 O ALA A -2 52.816 -15.590 25.409 1.00 0.00 O ATOM 14 CB ALA A -2 51.028 -15.338 28.104 1.00 0.00 C ATOM 0 H ALA A -2 51.087 -17.162 25.915 1.00 0.00 H new ATOM 0 HA ALA A -2 50.048 -14.386 26.401 1.00 0.00 H new ATOM 0 HB1 ALA A -2 51.362 -14.392 28.530 1.00 0.00 H new ATOM 0 HB2 ALA A -2 50.103 -15.649 28.590 1.00 0.00 H new ATOM 0 HB3 ALA A -2 51.794 -16.097 28.262 1.00 0.00 H new ATOM 20 N MET A -1 52.346 -13.473 25.828 1.00 0.00 N ATOM 21 CA MET A -1 53.588 -12.994 25.147 1.00 0.00 C ATOM 22 C MET A -1 54.695 -12.749 26.178 1.00 0.00 C ATOM 23 O MET A -1 54.451 -12.213 27.243 1.00 0.00 O ATOM 24 CB MET A -1 53.189 -11.683 24.466 1.00 0.00 C ATOM 25 CG MET A -1 52.196 -11.968 23.336 1.00 0.00 C ATOM 26 SD MET A -1 53.051 -12.779 21.961 1.00 0.00 S ATOM 27 CE MET A -1 54.120 -11.391 21.507 1.00 0.00 C ATOM 0 H MET A -1 51.758 -12.737 26.219 1.00 0.00 H new ATOM 0 HA MET A -1 53.974 -13.722 24.433 1.00 0.00 H new ATOM 0 HB2 MET A -1 52.742 -11.006 25.194 1.00 0.00 H new ATOM 0 HB3 MET A -1 54.073 -11.185 24.069 1.00 0.00 H new ATOM 0 HG2 MET A -1 51.389 -12.603 23.700 1.00 0.00 H new ATOM 0 HG3 MET A -1 51.741 -11.038 22.996 1.00 0.00 H new ATOM 0 HE1 MET A -1 54.317 -11.419 20.435 1.00 0.00 H new ATOM 0 HE2 MET A -1 53.626 -10.453 21.760 1.00 0.00 H new ATOM 0 HE3 MET A -1 55.062 -11.464 22.051 1.00 0.00 H new ATOM 37 N ALA A 0 55.907 -13.140 25.864 1.00 0.00 N ATOM 38 CA ALA A 0 57.042 -12.937 26.822 1.00 0.00 C ATOM 39 C ALA A 0 57.349 -11.444 26.973 1.00 0.00 C ATOM 40 O ALA A 0 57.740 -10.989 28.032 1.00 0.00 O ATOM 41 CB ALA A 0 58.235 -13.668 26.202 1.00 0.00 C ATOM 0 H ALA A 0 56.160 -13.591 24.985 1.00 0.00 H new ATOM 0 HA ALA A 0 56.808 -13.317 27.816 1.00 0.00 H new ATOM 0 HB1 ALA A 0 59.104 -13.562 26.851 1.00 0.00 H new ATOM 0 HB2 ALA A 0 57.995 -14.725 26.088 1.00 0.00 H new ATOM 0 HB3 ALA A 0 58.457 -13.239 25.225 1.00 0.00 H new ATOM 47 N MET A 1 57.175 -10.682 25.919 1.00 0.00 N ATOM 48 CA MET A 1 57.459 -9.215 25.985 1.00 0.00 C ATOM 49 C MET A 1 56.182 -8.416 25.710 1.00 0.00 C ATOM 50 O MET A 1 55.297 -8.871 25.010 1.00 0.00 O ATOM 51 CB MET A 1 58.496 -8.962 24.889 1.00 0.00 C ATOM 52 CG MET A 1 59.814 -9.643 25.263 1.00 0.00 C ATOM 53 SD MET A 1 61.076 -9.230 24.033 1.00 0.00 S ATOM 54 CE MET A 1 62.385 -10.297 24.683 1.00 0.00 C ATOM 0 H MET A 1 56.847 -11.016 25.013 1.00 0.00 H new ATOM 0 HA MET A 1 57.820 -8.908 26.967 1.00 0.00 H new ATOM 0 HB2 MET A 1 58.134 -9.347 23.936 1.00 0.00 H new ATOM 0 HB3 MET A 1 58.652 -7.891 24.762 1.00 0.00 H new ATOM 0 HG2 MET A 1 60.135 -9.319 26.253 1.00 0.00 H new ATOM 0 HG3 MET A 1 59.677 -10.723 25.311 1.00 0.00 H new ATOM 0 HE1 MET A 1 63.276 -10.198 24.063 1.00 0.00 H new ATOM 0 HE2 MET A 1 62.620 -10.003 25.706 1.00 0.00 H new ATOM 0 HE3 MET A 1 62.048 -11.334 24.672 1.00 0.00 H new ATOM 64 N SER A 2 56.084 -7.228 26.259 1.00 0.00 N ATOM 65 CA SER A 2 54.866 -6.383 26.034 1.00 0.00 C ATOM 66 C SER A 2 54.759 -5.984 24.558 1.00 0.00 C ATOM 67 O SER A 2 53.676 -5.886 24.011 1.00 0.00 O ATOM 68 CB SER A 2 55.061 -5.143 26.908 1.00 0.00 C ATOM 69 OG SER A 2 55.289 -5.547 28.252 1.00 0.00 O ATOM 0 H SER A 2 56.796 -6.806 26.855 1.00 0.00 H new ATOM 0 HA SER A 2 53.950 -6.917 26.288 1.00 0.00 H new ATOM 0 HB2 SER A 2 55.905 -4.557 26.544 1.00 0.00 H new ATOM 0 HB3 SER A 2 54.180 -4.503 26.853 1.00 0.00 H new ATOM 0 HG SER A 2 55.416 -4.755 28.815 1.00 0.00 H new ATOM 75 N GLY A 3 55.878 -5.755 23.914 1.00 0.00 N ATOM 76 CA GLY A 3 55.858 -5.368 22.472 1.00 0.00 C ATOM 77 C GLY A 3 57.110 -5.911 21.780 1.00 0.00 C ATOM 78 O GLY A 3 57.997 -6.446 22.419 1.00 0.00 O ATOM 0 H GLY A 3 56.808 -5.820 24.329 1.00 0.00 H new ATOM 0 HA2 GLY A 3 54.963 -5.763 21.991 1.00 0.00 H new ATOM 0 HA3 GLY A 3 55.818 -4.283 22.376 1.00 0.00 H new ATOM 82 N GLY A 4 57.185 -5.774 20.478 1.00 0.00 N ATOM 83 CA GLY A 4 58.376 -6.278 19.730 1.00 0.00 C ATOM 84 C GLY A 4 59.456 -5.194 19.697 1.00 0.00 C ATOM 85 O GLY A 4 59.263 -4.102 20.198 1.00 0.00 O ATOM 0 H GLY A 4 56.469 -5.333 19.901 1.00 0.00 H new ATOM 0 HA2 GLY A 4 58.764 -7.178 20.207 1.00 0.00 H new ATOM 0 HA3 GLY A 4 58.091 -6.553 18.715 1.00 0.00 H new ATOM 89 N LEU A 5 60.589 -5.492 19.107 1.00 0.00 N ATOM 90 CA LEU A 5 61.690 -4.485 19.027 1.00 0.00 C ATOM 91 C LEU A 5 62.605 -4.801 17.830 1.00 0.00 C ATOM 92 O LEU A 5 63.590 -5.501 17.981 1.00 0.00 O ATOM 93 CB LEU A 5 62.448 -4.608 20.350 1.00 0.00 C ATOM 94 CG LEU A 5 63.361 -3.394 20.530 1.00 0.00 C ATOM 95 CD1 LEU A 5 62.547 -2.217 21.069 1.00 0.00 C ATOM 96 CD2 LEU A 5 64.475 -3.739 21.521 1.00 0.00 C ATOM 0 H LEU A 5 60.798 -6.393 18.677 1.00 0.00 H new ATOM 0 HA LEU A 5 61.317 -3.472 18.878 1.00 0.00 H new ATOM 0 HB2 LEU A 5 61.744 -4.673 21.180 1.00 0.00 H new ATOM 0 HB3 LEU A 5 63.038 -5.525 20.360 1.00 0.00 H new ATOM 0 HG LEU A 5 63.798 -3.122 19.569 1.00 0.00 H new ATOM 0 HD11 LEU A 5 63.198 -1.352 21.197 1.00 0.00 H new ATOM 0 HD12 LEU A 5 61.752 -1.971 20.365 1.00 0.00 H new ATOM 0 HD13 LEU A 5 62.109 -2.487 22.030 1.00 0.00 H new ATOM 0 HD21 LEU A 5 65.127 -2.875 21.651 1.00 0.00 H new ATOM 0 HD22 LEU A 5 64.037 -4.010 22.481 1.00 0.00 H new ATOM 0 HD23 LEU A 5 65.056 -4.578 21.138 1.00 0.00 H new ATOM 108 N PRO A 6 62.254 -4.276 16.669 1.00 0.00 N ATOM 109 CA PRO A 6 63.074 -4.518 15.451 1.00 0.00 C ATOM 110 C PRO A 6 64.438 -3.829 15.581 1.00 0.00 C ATOM 111 O PRO A 6 64.541 -2.619 15.484 1.00 0.00 O ATOM 112 CB PRO A 6 62.253 -3.895 14.321 1.00 0.00 C ATOM 113 CG PRO A 6 61.334 -2.921 14.987 1.00 0.00 C ATOM 114 CD PRO A 6 61.087 -3.426 16.383 1.00 0.00 C ATOM 0 HA PRO A 6 63.280 -5.575 15.281 1.00 0.00 H new ATOM 0 HB2 PRO A 6 62.897 -3.396 13.597 1.00 0.00 H new ATOM 0 HB3 PRO A 6 61.692 -4.656 13.778 1.00 0.00 H new ATOM 0 HG2 PRO A 6 61.779 -1.926 15.011 1.00 0.00 H new ATOM 0 HG3 PRO A 6 60.397 -2.838 14.436 1.00 0.00 H new ATOM 0 HD2 PRO A 6 61.008 -2.605 17.096 1.00 0.00 H new ATOM 0 HD3 PRO A 6 60.157 -3.992 16.444 1.00 0.00 H new ATOM 122 N GLU A 7 65.481 -4.594 15.799 1.00 0.00 N ATOM 123 CA GLU A 7 66.849 -3.994 15.942 1.00 0.00 C ATOM 124 C GLU A 7 67.288 -3.337 14.629 1.00 0.00 C ATOM 125 O GLU A 7 67.062 -3.867 13.556 1.00 0.00 O ATOM 126 CB GLU A 7 67.774 -5.168 16.279 1.00 0.00 C ATOM 127 CG GLU A 7 67.409 -5.731 17.656 1.00 0.00 C ATOM 128 CD GLU A 7 68.379 -6.855 18.027 1.00 0.00 C ATOM 129 OE1 GLU A 7 69.564 -6.700 17.775 1.00 0.00 O ATOM 130 OE2 GLU A 7 67.921 -7.853 18.559 1.00 0.00 O ATOM 0 H GLU A 7 65.445 -5.610 15.884 1.00 0.00 H new ATOM 0 HA GLU A 7 66.871 -3.221 16.710 1.00 0.00 H new ATOM 0 HB2 GLU A 7 67.682 -5.946 15.521 1.00 0.00 H new ATOM 0 HB3 GLU A 7 68.813 -4.839 16.273 1.00 0.00 H new ATOM 0 HG2 GLU A 7 67.450 -4.940 18.405 1.00 0.00 H new ATOM 0 HG3 GLU A 7 66.386 -6.108 17.646 1.00 0.00 H new ATOM 137 N LEU A 8 67.914 -2.187 14.711 1.00 0.00 N ATOM 138 CA LEU A 8 68.402 -1.494 13.472 1.00 0.00 C ATOM 139 C LEU A 8 69.489 -2.327 12.784 1.00 0.00 C ATOM 140 O LEU A 8 69.754 -3.451 13.169 1.00 0.00 O ATOM 141 CB LEU A 8 68.990 -0.164 13.958 1.00 0.00 C ATOM 142 CG LEU A 8 67.877 0.712 14.538 1.00 0.00 C ATOM 143 CD1 LEU A 8 68.496 1.907 15.267 1.00 0.00 C ATOM 144 CD2 LEU A 8 66.982 1.218 13.404 1.00 0.00 C ATOM 0 H LEU A 8 68.109 -1.696 15.584 1.00 0.00 H new ATOM 0 HA LEU A 8 67.600 -1.350 12.748 1.00 0.00 H new ATOM 0 HB2 LEU A 8 69.753 -0.348 14.715 1.00 0.00 H new ATOM 0 HB3 LEU A 8 69.479 0.352 13.132 1.00 0.00 H new ATOM 0 HG LEU A 8 67.282 0.126 15.238 1.00 0.00 H new ATOM 0 HD11 LEU A 8 67.704 2.531 15.680 1.00 0.00 H new ATOM 0 HD12 LEU A 8 69.135 1.549 16.075 1.00 0.00 H new ATOM 0 HD13 LEU A 8 69.091 2.493 14.566 1.00 0.00 H new ATOM 0 HD21 LEU A 8 66.189 1.842 13.817 1.00 0.00 H new ATOM 0 HD22 LEU A 8 67.578 1.804 12.704 1.00 0.00 H new ATOM 0 HD23 LEU A 8 66.541 0.369 12.882 1.00 0.00 H new ATOM 156 N GLY A 9 70.115 -1.780 11.769 1.00 0.00 N ATOM 157 CA GLY A 9 71.202 -2.523 11.059 1.00 0.00 C ATOM 158 C GLY A 9 70.635 -3.515 10.030 1.00 0.00 C ATOM 159 O GLY A 9 71.384 -4.180 9.338 1.00 0.00 O ATOM 0 H GLY A 9 69.919 -0.849 11.402 1.00 0.00 H new ATOM 0 HA2 GLY A 9 71.859 -1.814 10.556 1.00 0.00 H new ATOM 0 HA3 GLY A 9 71.810 -3.061 11.786 1.00 0.00 H new ATOM 163 N SER A 10 69.326 -3.626 9.918 1.00 0.00 N ATOM 164 CA SER A 10 68.729 -4.584 8.926 1.00 0.00 C ATOM 165 C SER A 10 69.146 -4.206 7.500 1.00 0.00 C ATOM 166 O SER A 10 69.252 -3.040 7.169 1.00 0.00 O ATOM 167 CB SER A 10 67.214 -4.445 9.089 1.00 0.00 C ATOM 168 OG SER A 10 66.857 -4.739 10.433 1.00 0.00 O ATOM 0 H SER A 10 68.650 -3.097 10.468 1.00 0.00 H new ATOM 0 HA SER A 10 69.066 -5.606 9.097 1.00 0.00 H new ATOM 0 HB2 SER A 10 66.900 -3.434 8.830 1.00 0.00 H new ATOM 0 HB3 SER A 10 66.700 -5.123 8.407 1.00 0.00 H new ATOM 0 HG SER A 10 65.887 -4.649 10.541 1.00 0.00 H new ATOM 174 N LYS A 11 69.383 -5.185 6.660 1.00 0.00 N ATOM 175 CA LYS A 11 69.784 -4.888 5.248 1.00 0.00 C ATOM 176 C LYS A 11 68.546 -4.588 4.389 1.00 0.00 C ATOM 177 O LYS A 11 67.590 -5.344 4.378 1.00 0.00 O ATOM 178 CB LYS A 11 70.519 -6.149 4.752 1.00 0.00 C ATOM 179 CG LYS A 11 69.557 -7.344 4.659 1.00 0.00 C ATOM 180 CD LYS A 11 70.356 -8.623 4.398 1.00 0.00 C ATOM 181 CE LYS A 11 70.848 -8.633 2.949 1.00 0.00 C ATOM 182 NZ LYS A 11 72.075 -9.477 2.966 1.00 0.00 N ATOM 0 H LYS A 11 69.316 -6.176 6.891 1.00 0.00 H new ATOM 0 HA LYS A 11 70.424 -4.008 5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 11 70.961 -5.956 3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 11 71.338 -6.388 5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 11 68.989 -7.440 5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 11 68.836 -7.183 3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 11 71.204 -8.680 5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 11 69.734 -9.498 4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 11 70.094 -9.046 2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 11 71.067 -7.624 2.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 72.472 -9.532 2.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 72.777 -9.056 3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 71.834 -10.433 3.296 1.00 0.00 H new ATOM 196 N ILE A 12 68.561 -3.489 3.673 1.00 0.00 N ATOM 197 CA ILE A 12 67.401 -3.142 2.793 1.00 0.00 C ATOM 198 C ILE A 12 67.869 -2.991 1.340 1.00 0.00 C ATOM 199 O ILE A 12 68.951 -2.494 1.076 1.00 0.00 O ATOM 200 CB ILE A 12 66.856 -1.809 3.333 1.00 0.00 C ATOM 201 CG1 ILE A 12 66.420 -1.983 4.795 1.00 0.00 C ATOM 202 CG2 ILE A 12 65.647 -1.367 2.498 1.00 0.00 C ATOM 203 CD1 ILE A 12 66.084 -0.618 5.399 1.00 0.00 C ATOM 0 H ILE A 12 69.328 -2.817 3.660 1.00 0.00 H new ATOM 0 HA ILE A 12 66.634 -3.917 2.802 1.00 0.00 H new ATOM 0 HB ILE A 12 67.639 -1.054 3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 12 65.552 -2.639 4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 12 67.216 -2.459 5.368 1.00 0.00 H new ATOM 0 HG21 ILE A 12 65.264 -0.422 2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 12 65.950 -1.238 1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 12 64.867 -2.126 2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 12 65.775 -0.745 6.436 1.00 0.00 H new ATOM 0 HD12 ILE A 12 66.964 0.024 5.359 1.00 0.00 H new ATOM 0 HD13 ILE A 12 65.274 -0.159 4.833 1.00 0.00 H new ATOM 215 N SER A 13 67.054 -3.422 0.408 1.00 0.00 N ATOM 216 CA SER A 13 67.364 -3.220 -1.038 1.00 0.00 C ATOM 217 C SER A 13 66.511 -2.074 -1.588 1.00 0.00 C ATOM 218 O SER A 13 65.333 -1.976 -1.295 1.00 0.00 O ATOM 219 CB SER A 13 66.997 -4.540 -1.714 1.00 0.00 C ATOM 220 OG SER A 13 67.368 -4.484 -3.085 1.00 0.00 O ATOM 0 H SER A 13 66.178 -3.910 0.592 1.00 0.00 H new ATOM 0 HA SER A 13 68.408 -2.960 -1.212 1.00 0.00 H new ATOM 0 HB2 SER A 13 67.506 -5.368 -1.221 1.00 0.00 H new ATOM 0 HB3 SER A 13 65.927 -4.724 -1.622 1.00 0.00 H new ATOM 0 HG SER A 13 66.578 -4.287 -3.630 1.00 0.00 H new ATOM 226 N LEU A 14 67.096 -1.212 -2.379 1.00 0.00 N ATOM 227 CA LEU A 14 66.404 0.053 -2.770 1.00 0.00 C ATOM 228 C LEU A 14 66.559 0.301 -4.277 1.00 0.00 C ATOM 229 O LEU A 14 67.658 0.327 -4.794 1.00 0.00 O ATOM 230 CB LEU A 14 67.128 1.133 -1.963 1.00 0.00 C ATOM 231 CG LEU A 14 66.258 2.386 -1.852 1.00 0.00 C ATOM 232 CD1 LEU A 14 65.042 2.097 -0.968 1.00 0.00 C ATOM 233 CD2 LEU A 14 67.083 3.513 -1.223 1.00 0.00 C ATOM 0 H LEU A 14 68.029 -1.331 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 14 65.333 0.032 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 14 67.363 0.756 -0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 14 68.075 1.381 -2.442 1.00 0.00 H new ATOM 0 HG LEU A 14 65.918 2.681 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.426 2.993 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 14 64.456 1.290 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 14 65.377 1.802 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 14 66.470 4.410 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 14 67.417 3.209 -0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 14 67.950 3.723 -1.850 1.00 0.00 H new ATOM 245 N ILE A 15 65.465 0.481 -4.980 1.00 0.00 N ATOM 246 CA ILE A 15 65.539 0.703 -6.460 1.00 0.00 C ATOM 247 C ILE A 15 65.231 2.174 -6.779 1.00 0.00 C ATOM 248 O ILE A 15 64.143 2.660 -6.505 1.00 0.00 O ATOM 249 CB ILE A 15 64.468 -0.222 -7.066 1.00 0.00 C ATOM 250 CG1 ILE A 15 64.771 -1.682 -6.696 1.00 0.00 C ATOM 251 CG2 ILE A 15 64.467 -0.085 -8.593 1.00 0.00 C ATOM 252 CD1 ILE A 15 63.566 -2.560 -7.043 1.00 0.00 C ATOM 0 H ILE A 15 64.522 0.484 -4.591 1.00 0.00 H new ATOM 0 HA ILE A 15 66.528 0.485 -6.864 1.00 0.00 H new ATOM 0 HB ILE A 15 63.493 0.062 -6.671 1.00 0.00 H new ATOM 0 HG12 ILE A 15 65.653 -2.029 -7.234 1.00 0.00 H new ATOM 0 HG13 ILE A 15 64.996 -1.759 -5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 15 63.707 -0.742 -9.017 1.00 0.00 H new ATOM 0 HG22 ILE A 15 64.247 0.947 -8.866 1.00 0.00 H new ATOM 0 HG23 ILE A 15 65.446 -0.363 -8.984 1.00 0.00 H new ATOM 0 HD11 ILE A 15 63.782 -3.595 -6.780 1.00 0.00 H new ATOM 0 HD12 ILE A 15 62.694 -2.218 -6.485 1.00 0.00 H new ATOM 0 HD13 ILE A 15 63.362 -2.492 -8.112 1.00 0.00 H new ATOM 264 N SER A 16 66.185 2.873 -7.354 1.00 0.00 N ATOM 265 CA SER A 16 66.001 4.331 -7.642 1.00 0.00 C ATOM 266 C SER A 16 65.455 4.554 -9.059 1.00 0.00 C ATOM 267 O SER A 16 65.613 3.717 -9.934 1.00 0.00 O ATOM 268 CB SER A 16 67.402 4.932 -7.520 1.00 0.00 C ATOM 269 OG SER A 16 67.886 4.730 -6.198 1.00 0.00 O ATOM 0 H SER A 16 67.088 2.492 -7.637 1.00 0.00 H new ATOM 0 HA SER A 16 65.285 4.788 -6.959 1.00 0.00 H new ATOM 0 HB2 SER A 16 68.074 4.466 -8.241 1.00 0.00 H new ATOM 0 HB3 SER A 16 67.375 5.997 -7.751 1.00 0.00 H new ATOM 0 HG SER A 16 68.777 4.324 -6.234 1.00 0.00 H new ATOM 275 N LYS A 17 64.834 5.697 -9.284 1.00 0.00 N ATOM 276 CA LYS A 17 64.096 5.961 -10.573 1.00 0.00 C ATOM 277 C LYS A 17 64.973 5.738 -11.818 1.00 0.00 C ATOM 278 O LYS A 17 64.465 5.668 -12.923 1.00 0.00 O ATOM 279 CB LYS A 17 63.679 7.433 -10.492 1.00 0.00 C ATOM 280 CG LYS A 17 62.685 7.749 -11.613 1.00 0.00 C ATOM 281 CD LYS A 17 62.318 9.233 -11.568 1.00 0.00 C ATOM 282 CE LYS A 17 61.208 9.517 -12.582 1.00 0.00 C ATOM 283 NZ LYS A 17 61.102 11.002 -12.631 1.00 0.00 N ATOM 0 H LYS A 17 64.807 6.470 -8.619 1.00 0.00 H new ATOM 0 HA LYS A 17 63.255 5.276 -10.678 1.00 0.00 H new ATOM 0 HB2 LYS A 17 63.227 7.640 -9.522 1.00 0.00 H new ATOM 0 HB3 LYS A 17 64.556 8.075 -10.578 1.00 0.00 H new ATOM 0 HG2 LYS A 17 63.121 7.501 -12.581 1.00 0.00 H new ATOM 0 HG3 LYS A 17 61.789 7.139 -11.501 1.00 0.00 H new ATOM 0 HD2 LYS A 17 61.988 9.506 -10.566 1.00 0.00 H new ATOM 0 HD3 LYS A 17 63.194 9.842 -11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 17 61.453 9.106 -13.561 1.00 0.00 H new ATOM 0 HE3 LYS A 17 60.266 9.064 -12.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 60.360 11.275 -13.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 60.861 11.364 -11.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 62.011 11.405 -12.935 1.00 0.00 H new ATOM 297 N ALA A 18 66.271 5.627 -11.659 1.00 0.00 N ATOM 298 CA ALA A 18 67.162 5.415 -12.841 1.00 0.00 C ATOM 299 C ALA A 18 67.343 3.915 -13.113 1.00 0.00 C ATOM 300 O ALA A 18 68.290 3.511 -13.761 1.00 0.00 O ATOM 301 CB ALA A 18 68.498 6.049 -12.446 1.00 0.00 C ATOM 0 H ALA A 18 66.751 5.674 -10.760 1.00 0.00 H new ATOM 0 HA ALA A 18 66.750 5.854 -13.750 1.00 0.00 H new ATOM 0 HB1 ALA A 18 69.210 5.936 -13.263 1.00 0.00 H new ATOM 0 HB2 ALA A 18 68.350 7.109 -12.238 1.00 0.00 H new ATOM 0 HB3 ALA A 18 68.886 5.555 -11.555 1.00 0.00 H new ATOM 307 N ASP A 19 66.439 3.086 -12.622 1.00 0.00 N ATOM 308 CA ASP A 19 66.601 1.596 -12.729 1.00 0.00 C ATOM 309 C ASP A 19 67.954 1.178 -12.150 1.00 0.00 C ATOM 310 O ASP A 19 68.584 0.248 -12.619 1.00 0.00 O ATOM 311 CB ASP A 19 66.510 1.257 -14.224 1.00 0.00 C ATOM 312 CG ASP A 19 65.083 1.502 -14.721 1.00 0.00 C ATOM 313 OD1 ASP A 19 64.508 2.511 -14.345 1.00 0.00 O ATOM 314 OD2 ASP A 19 64.589 0.675 -15.470 1.00 0.00 O ATOM 0 H ASP A 19 65.588 3.386 -12.147 1.00 0.00 H new ATOM 0 HA ASP A 19 65.833 1.063 -12.168 1.00 0.00 H new ATOM 0 HB2 ASP A 19 67.213 1.869 -14.789 1.00 0.00 H new ATOM 0 HB3 ASP A 19 66.789 0.216 -14.389 1.00 0.00 H new ATOM 319 N ILE A 20 68.395 1.870 -11.127 1.00 0.00 N ATOM 320 CA ILE A 20 69.690 1.513 -10.472 1.00 0.00 C ATOM 321 C ILE A 20 69.403 0.774 -9.166 1.00 0.00 C ATOM 322 O ILE A 20 68.479 1.116 -8.451 1.00 0.00 O ATOM 323 CB ILE A 20 70.403 2.845 -10.184 1.00 0.00 C ATOM 324 CG1 ILE A 20 70.547 3.661 -11.478 1.00 0.00 C ATOM 325 CG2 ILE A 20 71.796 2.558 -9.607 1.00 0.00 C ATOM 326 CD1 ILE A 20 71.133 5.042 -11.164 1.00 0.00 C ATOM 0 H ILE A 20 67.911 2.669 -10.717 1.00 0.00 H new ATOM 0 HA ILE A 20 70.304 0.867 -11.100 1.00 0.00 H new ATOM 0 HB ILE A 20 69.814 3.417 -9.468 1.00 0.00 H new ATOM 0 HG12 ILE A 20 71.193 3.134 -12.180 1.00 0.00 H new ATOM 0 HG13 ILE A 20 69.575 3.770 -11.959 1.00 0.00 H new ATOM 0 HG21 ILE A 20 72.306 3.499 -9.401 1.00 0.00 H new ATOM 0 HG22 ILE A 20 71.697 1.989 -8.682 1.00 0.00 H new ATOM 0 HG23 ILE A 20 72.376 1.981 -10.327 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.232 5.614 -12.087 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.471 5.571 -10.478 1.00 0.00 H new ATOM 0 HD13 ILE A 20 72.114 4.925 -10.703 1.00 0.00 H new ATOM 338 N ARG A 21 70.182 -0.227 -8.851 1.00 0.00 N ATOM 339 CA ARG A 21 69.942 -0.989 -7.592 1.00 0.00 C ATOM 340 C ARG A 21 70.981 -0.600 -6.539 1.00 0.00 C ATOM 341 O ARG A 21 72.170 -0.768 -6.735 1.00 0.00 O ATOM 342 CB ARG A 21 70.090 -2.461 -7.981 1.00 0.00 C ATOM 343 CG ARG A 21 69.640 -3.347 -6.817 1.00 0.00 C ATOM 344 CD ARG A 21 69.849 -4.818 -7.184 1.00 0.00 C ATOM 345 NE ARG A 21 69.260 -5.591 -6.046 1.00 0.00 N ATOM 346 CZ ARG A 21 67.955 -5.731 -5.905 1.00 0.00 C ATOM 347 NH1 ARG A 21 67.109 -5.184 -6.749 1.00 0.00 N ATOM 348 NH2 ARG A 21 67.494 -6.425 -4.901 1.00 0.00 N ATOM 0 H ARG A 21 70.972 -0.549 -9.410 1.00 0.00 H new ATOM 0 HA ARG A 21 68.962 -0.783 -7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 21 69.492 -2.675 -8.867 1.00 0.00 H new ATOM 0 HB3 ARG A 21 71.127 -2.678 -8.236 1.00 0.00 H new ATOM 0 HG2 ARG A 21 70.207 -3.101 -5.919 1.00 0.00 H new ATOM 0 HG3 ARG A 21 68.590 -3.163 -6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 21 69.356 -5.064 -8.125 1.00 0.00 H new ATOM 0 HD3 ARG A 21 70.907 -5.046 -7.310 1.00 0.00 H new ATOM 0 HE ARG A 21 69.883 -6.021 -5.362 1.00 0.00 H new ATOM 0 HH11 ARG A 21 67.456 -4.636 -7.536 1.00 0.00 H new ATOM 0 HH12 ARG A 21 66.105 -5.308 -6.617 1.00 0.00 H new ATOM 0 HH21 ARG A 21 68.140 -6.852 -4.237 1.00 0.00 H new ATOM 0 HH22 ARG A 21 66.488 -6.541 -4.780 1.00 0.00 H new ATOM 362 N TYR A 22 70.529 -0.082 -5.426 1.00 0.00 N ATOM 363 CA TYR A 22 71.448 0.221 -4.290 1.00 0.00 C ATOM 364 C TYR A 22 71.092 -0.675 -3.104 1.00 0.00 C ATOM 365 O TYR A 22 69.950 -1.053 -2.933 1.00 0.00 O ATOM 366 CB TYR A 22 71.181 1.685 -3.934 1.00 0.00 C ATOM 367 CG TYR A 22 71.602 2.673 -5.000 1.00 0.00 C ATOM 368 CD1 TYR A 22 72.911 3.211 -4.983 1.00 0.00 C ATOM 369 CD2 TYR A 22 70.686 3.070 -6.007 1.00 0.00 C ATOM 370 CE1 TYR A 22 73.307 4.144 -5.971 1.00 0.00 C ATOM 371 CE2 TYR A 22 71.082 4.004 -6.998 1.00 0.00 C ATOM 372 CZ TYR A 22 72.393 4.541 -6.979 1.00 0.00 C ATOM 373 OH TYR A 22 72.780 5.451 -7.941 1.00 0.00 O ATOM 0 H TYR A 22 69.550 0.146 -5.255 1.00 0.00 H new ATOM 0 HA TYR A 22 72.494 0.050 -4.543 1.00 0.00 H new ATOM 0 HB2 TYR A 22 70.116 1.811 -3.739 1.00 0.00 H new ATOM 0 HB3 TYR A 22 71.705 1.923 -3.008 1.00 0.00 H new ATOM 0 HD1 TYR A 22 73.608 2.909 -4.215 1.00 0.00 H new ATOM 0 HD2 TYR A 22 69.687 2.661 -6.019 1.00 0.00 H new ATOM 0 HE1 TYR A 22 74.306 4.554 -5.957 1.00 0.00 H new ATOM 0 HE2 TYR A 22 70.385 4.306 -7.766 1.00 0.00 H new ATOM 0 HH TYR A 22 72.035 5.613 -8.557 1.00 0.00 H new ATOM 383 N GLU A 23 72.055 -1.019 -2.291 1.00 0.00 N ATOM 384 CA GLU A 23 71.749 -1.809 -1.058 1.00 0.00 C ATOM 385 C GLU A 23 72.602 -1.298 0.098 1.00 0.00 C ATOM 386 O GLU A 23 73.762 -0.984 -0.081 1.00 0.00 O ATOM 387 CB GLU A 23 72.126 -3.249 -1.410 1.00 0.00 C ATOM 388 CG GLU A 23 71.671 -4.188 -0.289 1.00 0.00 C ATOM 389 CD GLU A 23 72.162 -5.609 -0.578 1.00 0.00 C ATOM 390 OE1 GLU A 23 73.304 -5.751 -0.982 1.00 0.00 O ATOM 391 OE2 GLU A 23 71.386 -6.531 -0.389 1.00 0.00 O ATOM 0 H GLU A 23 73.040 -0.789 -2.425 1.00 0.00 H new ATOM 0 HA GLU A 23 70.706 -1.728 -0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 23 71.659 -3.538 -2.352 1.00 0.00 H new ATOM 0 HB3 GLU A 23 73.204 -3.329 -1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 23 72.063 -3.845 0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 23 70.584 -4.177 -0.211 1.00 0.00 H new ATOM 398 N GLY A 24 72.044 -1.218 1.281 1.00 0.00 N ATOM 399 CA GLY A 24 72.807 -0.623 2.421 1.00 0.00 C ATOM 400 C GLY A 24 72.119 -0.932 3.751 1.00 0.00 C ATOM 401 O GLY A 24 71.021 -1.457 3.787 1.00 0.00 O ATOM 0 H GLY A 24 71.101 -1.536 1.505 1.00 0.00 H new ATOM 0 HA2 GLY A 24 73.823 -1.018 2.431 1.00 0.00 H new ATOM 0 HA3 GLY A 24 72.886 0.456 2.289 1.00 0.00 H new ATOM 405 N ARG A 25 72.769 -0.607 4.844 1.00 0.00 N ATOM 406 CA ARG A 25 72.170 -0.863 6.194 1.00 0.00 C ATOM 407 C ARG A 25 71.244 0.289 6.598 1.00 0.00 C ATOM 408 O ARG A 25 71.556 1.447 6.385 1.00 0.00 O ATOM 409 CB ARG A 25 73.363 -0.943 7.153 1.00 0.00 C ATOM 410 CG ARG A 25 74.227 -2.158 6.804 1.00 0.00 C ATOM 411 CD ARG A 25 73.495 -3.441 7.206 1.00 0.00 C ATOM 412 NE ARG A 25 74.457 -4.548 6.908 1.00 0.00 N ATOM 413 CZ ARG A 25 75.488 -4.798 7.693 1.00 0.00 C ATOM 414 NH1 ARG A 25 75.729 -4.079 8.766 1.00 0.00 N ATOM 415 NH2 ARG A 25 76.290 -5.783 7.395 1.00 0.00 N ATOM 0 H ARG A 25 73.692 -0.174 4.859 1.00 0.00 H new ATOM 0 HA ARG A 25 71.570 -1.773 6.206 1.00 0.00 H new ATOM 0 HB2 ARG A 25 73.957 -0.031 7.086 1.00 0.00 H new ATOM 0 HB3 ARG A 25 73.010 -1.019 8.182 1.00 0.00 H new ATOM 0 HG2 ARG A 25 74.442 -2.169 5.735 1.00 0.00 H new ATOM 0 HG3 ARG A 25 75.185 -2.096 7.321 1.00 0.00 H new ATOM 0 HD2 ARG A 25 73.225 -3.427 8.262 1.00 0.00 H new ATOM 0 HD3 ARG A 25 72.570 -3.560 6.642 1.00 0.00 H new ATOM 0 HE ARG A 25 74.312 -5.123 6.078 1.00 0.00 H new ATOM 0 HH11 ARG A 25 75.112 -3.305 9.010 1.00 0.00 H new ATOM 0 HH12 ARG A 25 76.534 -4.295 9.355 1.00 0.00 H new ATOM 0 HH21 ARG A 25 76.116 -6.349 6.564 1.00 0.00 H new ATOM 0 HH22 ARG A 25 77.091 -5.987 7.993 1.00 0.00 H new ATOM 429 N LEU A 26 70.108 -0.021 7.178 1.00 0.00 N ATOM 430 CA LEU A 26 69.195 1.057 7.686 1.00 0.00 C ATOM 431 C LEU A 26 69.845 1.812 8.851 1.00 0.00 C ATOM 432 O LEU A 26 70.139 1.235 9.882 1.00 0.00 O ATOM 433 CB LEU A 26 67.957 0.308 8.195 1.00 0.00 C ATOM 434 CG LEU A 26 66.863 1.312 8.573 1.00 0.00 C ATOM 435 CD1 LEU A 26 66.186 1.844 7.305 1.00 0.00 C ATOM 436 CD2 LEU A 26 65.822 0.620 9.457 1.00 0.00 C ATOM 0 H LEU A 26 69.772 -0.973 7.322 1.00 0.00 H new ATOM 0 HA LEU A 26 68.964 1.790 6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 26 67.590 -0.372 7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 26 68.219 -0.301 9.060 1.00 0.00 H new ATOM 0 HG LEU A 26 67.309 2.144 9.117 1.00 0.00 H new ATOM 0 HD11 LEU A 26 65.409 2.557 7.579 1.00 0.00 H new ATOM 0 HD12 LEU A 26 66.927 2.338 6.677 1.00 0.00 H new ATOM 0 HD13 LEU A 26 65.740 1.015 6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 26 65.043 1.333 9.727 1.00 0.00 H new ATOM 0 HD22 LEU A 26 65.379 -0.214 8.912 1.00 0.00 H new ATOM 0 HD23 LEU A 26 66.303 0.248 10.362 1.00 0.00 H new ATOM 448 N TYR A 27 70.071 3.094 8.692 1.00 0.00 N ATOM 449 CA TYR A 27 70.639 3.902 9.812 1.00 0.00 C ATOM 450 C TYR A 27 69.531 4.691 10.516 1.00 0.00 C ATOM 451 O TYR A 27 69.412 4.655 11.727 1.00 0.00 O ATOM 452 CB TYR A 27 71.639 4.853 9.154 1.00 0.00 C ATOM 453 CG TYR A 27 72.487 5.609 10.150 1.00 0.00 C ATOM 454 CD1 TYR A 27 73.217 4.903 11.138 1.00 0.00 C ATOM 455 CD2 TYR A 27 72.550 7.022 10.098 1.00 0.00 C ATOM 456 CE1 TYR A 27 74.009 5.611 12.074 1.00 0.00 C ATOM 457 CE2 TYR A 27 73.343 7.730 11.034 1.00 0.00 C ATOM 458 CZ TYR A 27 74.072 7.025 12.022 1.00 0.00 C ATOM 459 OH TYR A 27 74.845 7.715 12.934 1.00 0.00 O ATOM 0 H TYR A 27 69.886 3.614 7.834 1.00 0.00 H new ATOM 0 HA TYR A 27 71.111 3.276 10.569 1.00 0.00 H new ATOM 0 HB2 TYR A 27 72.290 4.283 8.491 1.00 0.00 H new ATOM 0 HB3 TYR A 27 71.097 5.566 8.533 1.00 0.00 H new ATOM 0 HD1 TYR A 27 73.169 3.825 11.177 1.00 0.00 H new ATOM 0 HD2 TYR A 27 71.994 7.560 9.345 1.00 0.00 H new ATOM 0 HE1 TYR A 27 74.565 5.073 12.827 1.00 0.00 H new ATOM 0 HE2 TYR A 27 73.392 8.808 10.994 1.00 0.00 H new ATOM 0 HH TYR A 27 74.778 8.677 12.758 1.00 0.00 H new ATOM 469 N THR A 28 68.721 5.399 9.763 1.00 0.00 N ATOM 470 CA THR A 28 67.628 6.217 10.381 1.00 0.00 C ATOM 471 C THR A 28 66.483 6.414 9.382 1.00 0.00 C ATOM 472 O THR A 28 66.687 6.384 8.183 1.00 0.00 O ATOM 473 CB THR A 28 68.270 7.565 10.727 1.00 0.00 C ATOM 474 OG1 THR A 28 69.053 8.013 9.628 1.00 0.00 O ATOM 475 CG2 THR A 28 69.160 7.414 11.962 1.00 0.00 C ATOM 0 H THR A 28 68.770 5.445 8.745 1.00 0.00 H new ATOM 0 HA THR A 28 67.207 5.732 11.262 1.00 0.00 H new ATOM 0 HB THR A 28 67.487 8.293 10.937 1.00 0.00 H new ATOM 0 HG1 THR A 28 69.992 7.774 9.776 1.00 0.00 H new ATOM 0 HG21 THR A 28 69.614 8.375 12.203 1.00 0.00 H new ATOM 0 HG22 THR A 28 68.558 7.075 12.805 1.00 0.00 H new ATOM 0 HG23 THR A 28 69.943 6.684 11.759 1.00 0.00 H new ATOM 483 N VAL A 29 65.283 6.616 9.873 1.00 0.00 N ATOM 484 CA VAL A 29 64.110 6.802 8.962 1.00 0.00 C ATOM 485 C VAL A 29 63.155 7.860 9.541 1.00 0.00 C ATOM 486 O VAL A 29 62.996 7.968 10.743 1.00 0.00 O ATOM 487 CB VAL A 29 63.444 5.415 8.876 1.00 0.00 C ATOM 488 CG1 VAL A 29 62.934 4.979 10.256 1.00 0.00 C ATOM 489 CG2 VAL A 29 62.270 5.464 7.890 1.00 0.00 C ATOM 0 H VAL A 29 65.066 6.660 10.869 1.00 0.00 H new ATOM 0 HA VAL A 29 64.397 7.160 7.973 1.00 0.00 H new ATOM 0 HB VAL A 29 64.184 4.694 8.529 1.00 0.00 H new ATOM 0 HG11 VAL A 29 62.466 3.998 10.178 1.00 0.00 H new ATOM 0 HG12 VAL A 29 63.770 4.928 10.953 1.00 0.00 H new ATOM 0 HG13 VAL A 29 62.203 5.701 10.619 1.00 0.00 H new ATOM 0 HG21 VAL A 29 61.802 4.481 7.832 1.00 0.00 H new ATOM 0 HG22 VAL A 29 61.538 6.195 8.232 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.635 5.751 6.904 1.00 0.00 H new ATOM 499 N ASP A 30 62.524 8.635 8.690 1.00 0.00 N ATOM 500 CA ASP A 30 61.536 9.647 9.170 1.00 0.00 C ATOM 501 C ASP A 30 60.220 9.491 8.391 1.00 0.00 C ATOM 502 O ASP A 30 60.127 9.948 7.266 1.00 0.00 O ATOM 503 CB ASP A 30 62.180 11.001 8.871 1.00 0.00 C ATOM 504 CG ASP A 30 61.559 12.071 9.770 1.00 0.00 C ATOM 505 OD1 ASP A 30 60.354 12.248 9.701 1.00 0.00 O ATOM 506 OD2 ASP A 30 62.299 12.695 10.513 1.00 0.00 O ATOM 0 H ASP A 30 62.654 8.608 7.679 1.00 0.00 H new ATOM 0 HA ASP A 30 61.302 9.537 10.229 1.00 0.00 H new ATOM 0 HB2 ASP A 30 63.256 10.949 9.039 1.00 0.00 H new ATOM 0 HB3 ASP A 30 62.034 11.262 7.823 1.00 0.00 H new ATOM 511 N PRO A 31 59.237 8.847 9.003 1.00 0.00 N ATOM 512 CA PRO A 31 57.964 8.552 8.289 1.00 0.00 C ATOM 513 C PRO A 31 57.255 9.849 7.882 1.00 0.00 C ATOM 514 O PRO A 31 56.710 9.952 6.799 1.00 0.00 O ATOM 515 CB PRO A 31 57.131 7.770 9.309 1.00 0.00 C ATOM 516 CG PRO A 31 57.760 8.047 10.637 1.00 0.00 C ATOM 517 CD PRO A 31 59.211 8.345 10.386 1.00 0.00 C ATOM 0 HA PRO A 31 58.123 7.993 7.367 1.00 0.00 H new ATOM 0 HB2 PRO A 31 56.090 8.091 9.294 1.00 0.00 H new ATOM 0 HB3 PRO A 31 57.139 6.703 9.086 1.00 0.00 H new ATOM 0 HG2 PRO A 31 57.273 8.891 11.125 1.00 0.00 H new ATOM 0 HG3 PRO A 31 57.652 7.189 11.301 1.00 0.00 H new ATOM 0 HD2 PRO A 31 59.593 9.087 11.087 1.00 0.00 H new ATOM 0 HD3 PRO A 31 59.827 7.453 10.499 1.00 0.00 H new ATOM 525 N GLN A 32 57.275 10.844 8.732 1.00 0.00 N ATOM 526 CA GLN A 32 56.451 12.068 8.474 1.00 0.00 C ATOM 527 C GLN A 32 57.169 12.985 7.476 1.00 0.00 C ATOM 528 O GLN A 32 56.539 13.759 6.778 1.00 0.00 O ATOM 529 CB GLN A 32 56.286 12.753 9.832 1.00 0.00 C ATOM 530 CG GLN A 32 55.272 13.893 9.711 1.00 0.00 C ATOM 531 CD GLN A 32 55.102 14.578 11.070 1.00 0.00 C ATOM 532 OE1 GLN A 32 55.167 13.937 12.101 1.00 0.00 O ATOM 533 NE2 GLN A 32 54.883 15.864 11.115 1.00 0.00 N ATOM 0 H GLN A 32 57.824 10.864 9.592 1.00 0.00 H new ATOM 0 HA GLN A 32 55.482 11.825 8.038 1.00 0.00 H new ATOM 0 HB2 GLN A 32 55.950 12.031 10.576 1.00 0.00 H new ATOM 0 HB3 GLN A 32 57.245 13.141 10.174 1.00 0.00 H new ATOM 0 HG2 GLN A 32 55.610 14.616 8.968 1.00 0.00 H new ATOM 0 HG3 GLN A 32 54.314 13.505 9.366 1.00 0.00 H new ATOM 0 HE21 GLN A 32 54.828 16.403 10.251 1.00 0.00 H new ATOM 0 HE22 GLN A 32 54.767 16.330 12.015 1.00 0.00 H new ATOM 542 N GLU A 33 58.475 12.904 7.404 1.00 0.00 N ATOM 543 CA GLU A 33 59.220 13.663 6.350 1.00 0.00 C ATOM 544 C GLU A 33 59.323 12.850 5.045 1.00 0.00 C ATOM 545 O GLU A 33 59.919 13.301 4.085 1.00 0.00 O ATOM 546 CB GLU A 33 60.613 13.903 6.937 1.00 0.00 C ATOM 547 CG GLU A 33 60.509 14.852 8.135 1.00 0.00 C ATOM 548 CD GLU A 33 61.911 15.198 8.649 1.00 0.00 C ATOM 549 OE1 GLU A 33 62.771 14.331 8.610 1.00 0.00 O ATOM 550 OE2 GLU A 33 62.101 16.326 9.073 1.00 0.00 O ATOM 0 H GLU A 33 59.057 12.346 8.028 1.00 0.00 H new ATOM 0 HA GLU A 33 58.712 14.593 6.095 1.00 0.00 H new ATOM 0 HB2 GLU A 33 61.056 12.957 7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.270 14.329 6.179 1.00 0.00 H new ATOM 0 HG2 GLU A 33 59.984 15.762 7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 33 59.925 14.387 8.929 1.00 0.00 H new ATOM 557 N CYS A 34 58.748 11.656 4.995 1.00 0.00 N ATOM 558 CA CYS A 34 58.879 10.779 3.778 1.00 0.00 C ATOM 559 C CYS A 34 60.346 10.652 3.335 1.00 0.00 C ATOM 560 O CYS A 34 60.648 10.639 2.154 1.00 0.00 O ATOM 561 CB CYS A 34 58.046 11.471 2.693 1.00 0.00 C ATOM 562 SG CYS A 34 56.289 11.151 2.985 1.00 0.00 S ATOM 0 H CYS A 34 58.193 11.255 5.751 1.00 0.00 H new ATOM 0 HA CYS A 34 58.534 9.765 3.978 1.00 0.00 H new ATOM 0 HB2 CYS A 34 58.237 12.544 2.702 1.00 0.00 H new ATOM 0 HB3 CYS A 34 58.335 11.104 1.708 1.00 0.00 H new ATOM 0 HG CYS A 34 55.582 11.740 2.066 1.00 0.00 H new ATOM 568 N THR A 35 61.259 10.558 4.275 1.00 0.00 N ATOM 569 CA THR A 35 62.711 10.548 3.914 1.00 0.00 C ATOM 570 C THR A 35 63.449 9.475 4.715 1.00 0.00 C ATOM 571 O THR A 35 63.041 9.111 5.800 1.00 0.00 O ATOM 572 CB THR A 35 63.229 11.942 4.282 1.00 0.00 C ATOM 573 OG1 THR A 35 62.724 12.318 5.556 1.00 0.00 O ATOM 574 CG2 THR A 35 62.774 12.954 3.228 1.00 0.00 C ATOM 0 H THR A 35 61.060 10.488 5.273 1.00 0.00 H new ATOM 0 HA THR A 35 62.868 10.323 2.859 1.00 0.00 H new ATOM 0 HB THR A 35 64.318 11.924 4.318 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.179 13.131 5.861 1.00 0.00 H new ATOM 0 HG21 THR A 35 63.144 13.945 3.492 1.00 0.00 H new ATOM 0 HG22 THR A 35 63.169 12.667 2.254 1.00 0.00 H new ATOM 0 HG23 THR A 35 61.685 12.972 3.187 1.00 0.00 H new ATOM 582 N ILE A 36 64.533 8.969 4.183 1.00 0.00 N ATOM 583 CA ILE A 36 65.332 7.944 4.925 1.00 0.00 C ATOM 584 C ILE A 36 66.829 8.160 4.681 1.00 0.00 C ATOM 585 O ILE A 36 67.221 8.829 3.744 1.00 0.00 O ATOM 586 CB ILE A 36 64.876 6.580 4.374 1.00 0.00 C ATOM 587 CG1 ILE A 36 65.091 6.516 2.853 1.00 0.00 C ATOM 588 CG2 ILE A 36 63.390 6.371 4.685 1.00 0.00 C ATOM 589 CD1 ILE A 36 64.928 5.072 2.373 1.00 0.00 C ATOM 0 H ILE A 36 64.900 9.221 3.266 1.00 0.00 H new ATOM 0 HA ILE A 36 65.176 8.008 6.002 1.00 0.00 H new ATOM 0 HB ILE A 36 65.467 5.797 4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.374 7.162 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 36 66.085 6.884 2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 36 63.069 5.405 4.294 1.00 0.00 H new ATOM 0 HG22 ILE A 36 63.237 6.395 5.764 1.00 0.00 H new ATOM 0 HG23 ILE A 36 62.806 7.164 4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 36 65.081 5.028 1.295 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.663 4.438 2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.924 4.720 2.612 1.00 0.00 H new ATOM 601 N ALA A 37 67.662 7.598 5.520 1.00 0.00 N ATOM 602 CA ALA A 37 69.136 7.673 5.291 1.00 0.00 C ATOM 603 C ALA A 37 69.769 6.308 5.558 1.00 0.00 C ATOM 604 O ALA A 37 69.567 5.717 6.605 1.00 0.00 O ATOM 605 CB ALA A 37 69.654 8.715 6.285 1.00 0.00 C ATOM 0 H ALA A 37 67.382 7.088 6.358 1.00 0.00 H new ATOM 0 HA ALA A 37 69.382 7.948 4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 37 70.733 8.821 6.172 1.00 0.00 H new ATOM 0 HB2 ALA A 37 69.173 9.674 6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 37 69.426 8.393 7.301 1.00 0.00 H new ATOM 611 N LEU A 38 70.530 5.810 4.617 1.00 0.00 N ATOM 612 CA LEU A 38 71.145 4.458 4.770 1.00 0.00 C ATOM 613 C LEU A 38 72.653 4.600 4.964 1.00 0.00 C ATOM 614 O LEU A 38 73.269 5.495 4.418 1.00 0.00 O ATOM 615 CB LEU A 38 70.840 3.727 3.460 1.00 0.00 C ATOM 616 CG LEU A 38 69.328 3.535 3.309 1.00 0.00 C ATOM 617 CD1 LEU A 38 69.014 3.047 1.894 1.00 0.00 C ATOM 618 CD2 LEU A 38 68.840 2.497 4.324 1.00 0.00 C ATOM 0 H LEU A 38 70.753 6.286 3.743 1.00 0.00 H new ATOM 0 HA LEU A 38 70.754 3.918 5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.229 4.297 2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.341 2.759 3.449 1.00 0.00 H new ATOM 0 HG LEU A 38 68.823 4.484 3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 38 67.938 2.910 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 38 69.360 3.784 1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 38 69.520 2.098 1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 38 67.764 2.361 4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 38 69.346 1.548 4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 38 69.063 2.843 5.334 1.00 0.00 H new ATOM 630 N SER A 39 73.249 3.724 5.732 1.00 0.00 N ATOM 631 CA SER A 39 74.715 3.824 5.991 1.00 0.00 C ATOM 632 C SER A 39 75.404 2.572 5.458 1.00 0.00 C ATOM 633 O SER A 39 74.796 1.523 5.370 1.00 0.00 O ATOM 634 CB SER A 39 74.849 3.910 7.511 1.00 0.00 C ATOM 635 OG SER A 39 74.394 2.695 8.092 1.00 0.00 O ATOM 0 H SER A 39 72.782 2.942 6.191 1.00 0.00 H new ATOM 0 HA SER A 39 75.173 4.684 5.503 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.888 4.092 7.786 1.00 0.00 H new ATOM 0 HB3 SER A 39 74.267 4.749 7.892 1.00 0.00 H new ATOM 0 HG SER A 39 74.480 2.746 9.067 1.00 0.00 H new ATOM 641 N SER A 40 76.667 2.677 5.101 1.00 0.00 N ATOM 642 CA SER A 40 77.377 1.549 4.405 1.00 0.00 C ATOM 643 C SER A 40 76.498 0.976 3.281 1.00 0.00 C ATOM 644 O SER A 40 75.772 0.014 3.468 1.00 0.00 O ATOM 645 CB SER A 40 77.672 0.505 5.492 1.00 0.00 C ATOM 646 OG SER A 40 76.488 -0.207 5.826 1.00 0.00 O ATOM 0 H SER A 40 77.241 3.504 5.264 1.00 0.00 H new ATOM 0 HA SER A 40 78.301 1.877 3.928 1.00 0.00 H new ATOM 0 HB2 SER A 40 78.435 -0.189 5.141 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.071 0.996 6.379 1.00 0.00 H new ATOM 0 HG SER A 40 75.747 0.111 5.269 1.00 0.00 H new ATOM 652 N VAL A 41 76.558 1.584 2.123 1.00 0.00 N ATOM 653 CA VAL A 41 75.718 1.132 0.973 1.00 0.00 C ATOM 654 C VAL A 41 76.574 1.068 -0.302 1.00 0.00 C ATOM 655 O VAL A 41 77.528 1.810 -0.455 1.00 0.00 O ATOM 656 CB VAL A 41 74.596 2.183 0.865 1.00 0.00 C ATOM 657 CG1 VAL A 41 75.188 3.553 0.529 1.00 0.00 C ATOM 658 CG2 VAL A 41 73.597 1.781 -0.229 1.00 0.00 C ATOM 0 H VAL A 41 77.160 2.383 1.924 1.00 0.00 H new ATOM 0 HA VAL A 41 75.304 0.133 1.111 1.00 0.00 H new ATOM 0 HB VAL A 41 74.080 2.237 1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 41 74.386 4.288 0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 41 75.883 3.852 1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 41 75.718 3.497 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 41 72.809 2.531 -0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 41 74.114 1.712 -1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 41 73.158 0.814 0.017 1.00 0.00 H new ATOM 668 N ARG A 42 76.237 0.188 -1.209 1.00 0.00 N ATOM 669 CA ARG A 42 76.991 0.091 -2.497 1.00 0.00 C ATOM 670 C ARG A 42 76.010 -0.029 -3.670 1.00 0.00 C ATOM 671 O ARG A 42 74.902 -0.507 -3.510 1.00 0.00 O ATOM 672 CB ARG A 42 77.864 -1.169 -2.370 1.00 0.00 C ATOM 673 CG ARG A 42 76.991 -2.414 -2.156 1.00 0.00 C ATOM 674 CD ARG A 42 77.885 -3.619 -1.846 1.00 0.00 C ATOM 675 NE ARG A 42 76.959 -4.796 -1.787 1.00 0.00 N ATOM 676 CZ ARG A 42 77.412 -6.032 -1.870 1.00 0.00 C ATOM 677 NH1 ARG A 42 78.694 -6.290 -2.001 1.00 0.00 N ATOM 678 NH2 ARG A 42 76.566 -7.025 -1.817 1.00 0.00 N ATOM 0 H ARG A 42 75.466 -0.473 -1.113 1.00 0.00 H new ATOM 0 HA ARG A 42 77.602 0.974 -2.687 1.00 0.00 H new ATOM 0 HB2 ARG A 42 78.467 -1.292 -3.269 1.00 0.00 H new ATOM 0 HB3 ARG A 42 78.556 -1.056 -1.535 1.00 0.00 H new ATOM 0 HG2 ARG A 42 76.293 -2.245 -1.336 1.00 0.00 H new ATOM 0 HG3 ARG A 42 76.394 -2.610 -3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 42 78.644 -3.754 -2.617 1.00 0.00 H new ATOM 0 HD3 ARG A 42 78.411 -3.485 -0.901 1.00 0.00 H new ATOM 0 HE ARG A 42 75.957 -4.638 -1.680 1.00 0.00 H new ATOM 0 HH11 ARG A 42 79.367 -5.524 -2.041 1.00 0.00 H new ATOM 0 HH12 ARG A 42 79.016 -7.256 -2.063 1.00 0.00 H new ATOM 0 HH21 ARG A 42 75.568 -6.840 -1.713 1.00 0.00 H new ATOM 0 HH22 ARG A 42 76.903 -7.986 -1.880 1.00 0.00 H new ATOM 692 N SER A 43 76.410 0.404 -4.841 1.00 0.00 N ATOM 693 CA SER A 43 75.511 0.310 -6.033 1.00 0.00 C ATOM 694 C SER A 43 76.024 -0.773 -6.988 1.00 0.00 C ATOM 695 O SER A 43 77.215 -0.894 -7.214 1.00 0.00 O ATOM 696 CB SER A 43 75.576 1.690 -6.689 1.00 0.00 C ATOM 697 OG SER A 43 76.865 1.882 -7.259 1.00 0.00 O ATOM 0 H SER A 43 77.324 0.820 -5.023 1.00 0.00 H new ATOM 0 HA SER A 43 74.489 0.040 -5.766 1.00 0.00 H new ATOM 0 HB2 SER A 43 74.809 1.775 -7.459 1.00 0.00 H new ATOM 0 HB3 SER A 43 75.374 2.466 -5.951 1.00 0.00 H new ATOM 0 HG SER A 43 77.050 2.841 -7.335 1.00 0.00 H new ATOM 703 N PHE A 44 75.134 -1.558 -7.547 1.00 0.00 N ATOM 704 CA PHE A 44 75.575 -2.715 -8.389 1.00 0.00 C ATOM 705 C PHE A 44 75.890 -2.261 -9.818 1.00 0.00 C ATOM 706 O PHE A 44 76.830 -2.738 -10.429 1.00 0.00 O ATOM 707 CB PHE A 44 74.394 -3.689 -8.388 1.00 0.00 C ATOM 708 CG PHE A 44 74.143 -4.329 -7.043 1.00 0.00 C ATOM 709 CD1 PHE A 44 74.957 -5.404 -6.608 1.00 0.00 C ATOM 710 CD2 PHE A 44 73.094 -3.856 -6.217 1.00 0.00 C ATOM 711 CE1 PHE A 44 74.721 -6.005 -5.347 1.00 0.00 C ATOM 712 CE2 PHE A 44 72.859 -4.457 -4.957 1.00 0.00 C ATOM 713 CZ PHE A 44 73.672 -5.531 -4.521 1.00 0.00 C ATOM 0 H PHE A 44 74.124 -1.448 -7.457 1.00 0.00 H new ATOM 0 HA PHE A 44 76.484 -3.172 -7.998 1.00 0.00 H new ATOM 0 HB2 PHE A 44 73.495 -3.158 -8.703 1.00 0.00 H new ATOM 0 HB3 PHE A 44 74.577 -4.471 -9.125 1.00 0.00 H new ATOM 0 HD1 PHE A 44 75.757 -5.765 -7.237 1.00 0.00 H new ATOM 0 HD2 PHE A 44 72.473 -3.037 -6.549 1.00 0.00 H new ATOM 0 HE1 PHE A 44 75.341 -6.825 -5.015 1.00 0.00 H new ATOM 0 HE2 PHE A 44 72.059 -4.096 -4.328 1.00 0.00 H new ATOM 0 HZ PHE A 44 73.493 -5.989 -3.559 1.00 0.00 H new ATOM 723 N GLY A 45 75.118 -1.346 -10.355 1.00 0.00 N ATOM 724 CA GLY A 45 75.419 -0.817 -11.716 1.00 0.00 C ATOM 725 C GLY A 45 74.235 -0.007 -12.247 1.00 0.00 C ATOM 726 O GLY A 45 73.151 -0.034 -11.695 1.00 0.00 O ATOM 0 H GLY A 45 74.294 -0.945 -9.907 1.00 0.00 H new ATOM 0 HA2 GLY A 45 76.310 -0.190 -11.681 1.00 0.00 H new ATOM 0 HA3 GLY A 45 75.637 -1.642 -12.394 1.00 0.00 H new ATOM 730 N THR A 46 74.448 0.713 -13.321 1.00 0.00 N ATOM 731 CA THR A 46 73.332 1.459 -13.987 1.00 0.00 C ATOM 732 C THR A 46 73.114 0.953 -15.425 1.00 0.00 C ATOM 733 O THR A 46 72.333 1.516 -16.168 1.00 0.00 O ATOM 734 CB THR A 46 73.779 2.923 -13.993 1.00 0.00 C ATOM 735 OG1 THR A 46 75.122 3.006 -14.450 1.00 0.00 O ATOM 736 CG2 THR A 46 73.681 3.507 -12.578 1.00 0.00 C ATOM 0 H THR A 46 75.358 0.817 -13.771 1.00 0.00 H new ATOM 0 HA THR A 46 72.385 1.321 -13.465 1.00 0.00 H new ATOM 0 HB THR A 46 73.130 3.492 -14.659 1.00 0.00 H new ATOM 0 HG1 THR A 46 75.408 3.943 -14.456 1.00 0.00 H new ATOM 0 HG21 THR A 46 74.001 4.549 -12.591 1.00 0.00 H new ATOM 0 HG22 THR A 46 72.649 3.449 -12.231 1.00 0.00 H new ATOM 0 HG23 THR A 46 74.323 2.939 -11.905 1.00 0.00 H new ATOM 744 N GLU A 47 73.801 -0.104 -15.817 1.00 0.00 N ATOM 745 CA GLU A 47 73.884 -0.500 -17.266 1.00 0.00 C ATOM 746 C GLU A 47 72.506 -0.563 -17.946 1.00 0.00 C ATOM 747 O GLU A 47 72.403 -0.413 -19.149 1.00 0.00 O ATOM 748 CB GLU A 47 74.526 -1.891 -17.263 1.00 0.00 C ATOM 749 CG GLU A 47 75.989 -1.779 -16.829 1.00 0.00 C ATOM 750 CD GLU A 47 76.656 -3.155 -16.904 1.00 0.00 C ATOM 751 OE1 GLU A 47 76.406 -3.864 -17.866 1.00 0.00 O ATOM 752 OE2 GLU A 47 77.406 -3.477 -15.997 1.00 0.00 O ATOM 0 H GLU A 47 74.314 -0.716 -15.183 1.00 0.00 H new ATOM 0 HA GLU A 47 74.456 0.238 -17.829 1.00 0.00 H new ATOM 0 HB2 GLU A 47 73.985 -2.551 -16.586 1.00 0.00 H new ATOM 0 HB3 GLU A 47 74.464 -2.334 -18.257 1.00 0.00 H new ATOM 0 HG2 GLU A 47 76.516 -1.073 -17.471 1.00 0.00 H new ATOM 0 HG3 GLU A 47 76.048 -1.390 -15.812 1.00 0.00 H new ATOM 759 N ASP A 48 71.450 -0.783 -17.196 1.00 0.00 N ATOM 760 CA ASP A 48 70.095 -0.906 -17.832 1.00 0.00 C ATOM 761 C ASP A 48 69.679 0.421 -18.482 1.00 0.00 C ATOM 762 O ASP A 48 69.435 0.484 -19.673 1.00 0.00 O ATOM 763 CB ASP A 48 69.139 -1.261 -16.688 1.00 0.00 C ATOM 764 CG ASP A 48 69.480 -2.650 -16.141 1.00 0.00 C ATOM 765 OD1 ASP A 48 69.744 -3.533 -16.941 1.00 0.00 O ATOM 766 OD2 ASP A 48 69.472 -2.806 -14.931 1.00 0.00 O ATOM 0 H ASP A 48 71.466 -0.882 -16.181 1.00 0.00 H new ATOM 0 HA ASP A 48 70.087 -1.660 -18.619 1.00 0.00 H new ATOM 0 HB2 ASP A 48 69.215 -0.518 -15.894 1.00 0.00 H new ATOM 0 HB3 ASP A 48 68.109 -1.243 -17.043 1.00 0.00 H new ATOM 771 N ARG A 49 69.597 1.477 -17.709 1.00 0.00 N ATOM 772 CA ARG A 49 69.279 2.823 -18.286 1.00 0.00 C ATOM 773 C ARG A 49 70.557 3.622 -18.592 1.00 0.00 C ATOM 774 O ARG A 49 70.495 4.800 -18.890 1.00 0.00 O ATOM 775 CB ARG A 49 68.447 3.532 -17.217 1.00 0.00 C ATOM 776 CG ARG A 49 67.015 2.995 -17.250 1.00 0.00 C ATOM 777 CD ARG A 49 66.094 3.941 -16.472 1.00 0.00 C ATOM 778 NE ARG A 49 65.980 5.172 -17.319 1.00 0.00 N ATOM 779 CZ ARG A 49 65.017 6.053 -17.125 1.00 0.00 C ATOM 780 NH1 ARG A 49 64.120 5.897 -16.179 1.00 0.00 N ATOM 781 NH2 ARG A 49 64.957 7.108 -17.892 1.00 0.00 N ATOM 0 H ARG A 49 69.737 1.465 -16.699 1.00 0.00 H new ATOM 0 HA ARG A 49 68.746 2.732 -19.232 1.00 0.00 H new ATOM 0 HB2 ARG A 49 68.885 3.370 -16.232 1.00 0.00 H new ATOM 0 HB3 ARG A 49 68.448 4.608 -17.393 1.00 0.00 H new ATOM 0 HG2 ARG A 49 66.673 2.905 -18.281 1.00 0.00 H new ATOM 0 HG3 ARG A 49 66.980 1.997 -16.814 1.00 0.00 H new ATOM 0 HD2 ARG A 49 65.117 3.488 -16.304 1.00 0.00 H new ATOM 0 HD3 ARG A 49 66.509 4.176 -15.492 1.00 0.00 H new ATOM 0 HE ARG A 49 66.661 5.332 -18.061 1.00 0.00 H new ATOM 0 HH11 ARG A 49 64.157 5.079 -15.571 1.00 0.00 H new ATOM 0 HH12 ARG A 49 63.386 6.594 -16.052 1.00 0.00 H new ATOM 0 HH21 ARG A 49 65.649 7.243 -18.629 1.00 0.00 H new ATOM 0 HH22 ARG A 49 64.218 7.798 -17.754 1.00 0.00 H new ATOM 795 N ASP A 50 71.712 2.997 -18.521 1.00 0.00 N ATOM 796 CA ASP A 50 73.002 3.765 -18.599 1.00 0.00 C ATOM 797 C ASP A 50 73.106 4.557 -19.912 1.00 0.00 C ATOM 798 O ASP A 50 72.270 4.442 -20.789 1.00 0.00 O ATOM 799 CB ASP A 50 74.119 2.708 -18.516 1.00 0.00 C ATOM 800 CG ASP A 50 74.072 1.758 -19.727 1.00 0.00 C ATOM 801 OD1 ASP A 50 73.051 1.713 -20.396 1.00 0.00 O ATOM 802 OD2 ASP A 50 75.066 1.090 -19.962 1.00 0.00 O ATOM 0 H ASP A 50 71.818 1.988 -18.412 1.00 0.00 H new ATOM 0 HA ASP A 50 73.072 4.498 -17.795 1.00 0.00 H new ATOM 0 HB2 ASP A 50 75.090 3.202 -18.475 1.00 0.00 H new ATOM 0 HB3 ASP A 50 74.014 2.134 -17.595 1.00 0.00 H new ATOM 807 N THR A 51 74.134 5.358 -20.036 1.00 0.00 N ATOM 808 CA THR A 51 74.379 6.103 -21.310 1.00 0.00 C ATOM 809 C THR A 51 75.016 5.170 -22.340 1.00 0.00 C ATOM 810 O THR A 51 75.508 4.109 -22.003 1.00 0.00 O ATOM 811 CB THR A 51 75.341 7.236 -20.943 1.00 0.00 C ATOM 812 OG1 THR A 51 74.842 7.931 -19.809 1.00 0.00 O ATOM 813 CG2 THR A 51 75.468 8.203 -22.121 1.00 0.00 C ATOM 0 H THR A 51 74.821 5.530 -19.302 1.00 0.00 H new ATOM 0 HA THR A 51 73.457 6.488 -21.747 1.00 0.00 H new ATOM 0 HB THR A 51 76.321 6.819 -20.712 1.00 0.00 H new ATOM 0 HG1 THR A 51 75.458 8.655 -19.572 1.00 0.00 H new ATOM 0 HG21 THR A 51 76.153 9.009 -21.858 1.00 0.00 H new ATOM 0 HG22 THR A 51 75.852 7.669 -22.990 1.00 0.00 H new ATOM 0 HG23 THR A 51 74.489 8.621 -22.356 1.00 0.00 H new ATOM 821 N GLN A 52 75.011 5.559 -23.592 1.00 0.00 N ATOM 822 CA GLN A 52 75.588 4.675 -24.658 1.00 0.00 C ATOM 823 C GLN A 52 77.128 4.733 -24.660 1.00 0.00 C ATOM 824 O GLN A 52 77.768 4.148 -25.514 1.00 0.00 O ATOM 825 CB GLN A 52 75.021 5.193 -25.994 1.00 0.00 C ATOM 826 CG GLN A 52 75.414 6.660 -26.225 1.00 0.00 C ATOM 827 CD GLN A 52 75.138 7.036 -27.682 1.00 0.00 C ATOM 828 OE1 GLN A 52 74.024 7.368 -28.036 1.00 0.00 O ATOM 829 NE2 GLN A 52 76.113 6.998 -28.549 1.00 0.00 N ATOM 0 H GLN A 52 74.634 6.447 -23.923 1.00 0.00 H new ATOM 0 HA GLN A 52 75.321 3.632 -24.487 1.00 0.00 H new ATOM 0 HB2 GLN A 52 75.394 4.579 -26.814 1.00 0.00 H new ATOM 0 HB3 GLN A 52 73.935 5.099 -25.993 1.00 0.00 H new ATOM 0 HG2 GLN A 52 74.848 7.309 -25.557 1.00 0.00 H new ATOM 0 HG3 GLN A 52 76.469 6.806 -25.994 1.00 0.00 H new ATOM 0 HE21 GLN A 52 77.048 6.719 -28.253 1.00 0.00 H new ATOM 0 HE22 GLN A 52 75.939 7.247 -29.523 1.00 0.00 H new ATOM 838 N PHE A 53 77.726 5.429 -23.716 1.00 0.00 N ATOM 839 CA PHE A 53 79.201 5.309 -23.509 1.00 0.00 C ATOM 840 C PHE A 53 79.483 4.291 -22.398 1.00 0.00 C ATOM 841 O PHE A 53 78.593 3.909 -21.660 1.00 0.00 O ATOM 842 CB PHE A 53 79.664 6.711 -23.099 1.00 0.00 C ATOM 843 CG PHE A 53 80.061 7.590 -24.267 1.00 0.00 C ATOM 844 CD1 PHE A 53 79.273 7.613 -25.446 1.00 0.00 C ATOM 845 CD2 PHE A 53 81.224 8.394 -24.179 1.00 0.00 C ATOM 846 CE1 PHE A 53 79.649 8.439 -26.533 1.00 0.00 C ATOM 847 CE2 PHE A 53 81.599 9.219 -25.267 1.00 0.00 C ATOM 848 CZ PHE A 53 80.812 9.242 -26.444 1.00 0.00 C ATOM 0 H PHE A 53 77.252 6.073 -23.083 1.00 0.00 H new ATOM 0 HA PHE A 53 79.724 4.963 -24.401 1.00 0.00 H new ATOM 0 HB2 PHE A 53 78.863 7.200 -22.544 1.00 0.00 H new ATOM 0 HB3 PHE A 53 80.512 6.619 -22.421 1.00 0.00 H new ATOM 0 HD1 PHE A 53 78.386 7.001 -25.515 1.00 0.00 H new ATOM 0 HD2 PHE A 53 81.825 8.378 -23.282 1.00 0.00 H new ATOM 0 HE1 PHE A 53 79.048 8.457 -27.430 1.00 0.00 H new ATOM 0 HE2 PHE A 53 82.486 9.831 -25.199 1.00 0.00 H new ATOM 0 HZ PHE A 53 81.099 9.872 -27.273 1.00 0.00 H new ATOM 858 N GLN A 54 80.712 3.854 -22.275 1.00 0.00 N ATOM 859 CA GLN A 54 81.037 2.780 -21.282 1.00 0.00 C ATOM 860 C GLN A 54 81.184 3.375 -19.877 1.00 0.00 C ATOM 861 O GLN A 54 81.862 4.367 -19.682 1.00 0.00 O ATOM 862 CB GLN A 54 82.365 2.182 -21.753 1.00 0.00 C ATOM 863 CG GLN A 54 82.677 0.921 -20.943 1.00 0.00 C ATOM 864 CD GLN A 54 84.065 0.401 -21.322 1.00 0.00 C ATOM 865 OE1 GLN A 54 85.043 1.114 -21.220 1.00 0.00 O ATOM 866 NE2 GLN A 54 84.192 -0.822 -21.760 1.00 0.00 N ATOM 0 H GLN A 54 81.505 4.194 -22.819 1.00 0.00 H new ATOM 0 HA GLN A 54 80.250 2.028 -21.225 1.00 0.00 H new ATOM 0 HB2 GLN A 54 82.310 1.940 -22.814 1.00 0.00 H new ATOM 0 HB3 GLN A 54 83.166 2.911 -21.633 1.00 0.00 H new ATOM 0 HG2 GLN A 54 82.639 1.142 -19.876 1.00 0.00 H new ATOM 0 HG3 GLN A 54 81.925 0.156 -21.137 1.00 0.00 H new ATOM 0 HE21 GLN A 54 83.371 -1.421 -21.846 1.00 0.00 H new ATOM 0 HE22 GLN A 54 85.112 -1.179 -22.017 1.00 0.00 H new ATOM 875 N ILE A 55 80.549 2.770 -18.900 1.00 0.00 N ATOM 876 CA ILE A 55 80.693 3.245 -17.487 1.00 0.00 C ATOM 877 C ILE A 55 81.402 2.168 -16.656 1.00 0.00 C ATOM 878 O ILE A 55 81.075 0.998 -16.738 1.00 0.00 O ATOM 879 CB ILE A 55 79.258 3.473 -16.976 1.00 0.00 C ATOM 880 CG1 ILE A 55 78.545 4.504 -17.863 1.00 0.00 C ATOM 881 CG2 ILE A 55 79.301 3.999 -15.536 1.00 0.00 C ATOM 882 CD1 ILE A 55 77.051 4.521 -17.532 1.00 0.00 C ATOM 0 H ILE A 55 79.935 1.965 -19.022 1.00 0.00 H new ATOM 0 HA ILE A 55 81.285 4.157 -17.414 1.00 0.00 H new ATOM 0 HB ILE A 55 78.717 2.527 -17.008 1.00 0.00 H new ATOM 0 HG12 ILE A 55 78.974 5.493 -17.705 1.00 0.00 H new ATOM 0 HG13 ILE A 55 78.692 4.257 -18.915 1.00 0.00 H new ATOM 0 HG21 ILE A 55 78.284 4.160 -15.177 1.00 0.00 H new ATOM 0 HG22 ILE A 55 79.801 3.271 -14.897 1.00 0.00 H new ATOM 0 HG23 ILE A 55 79.848 4.941 -15.509 1.00 0.00 H new ATOM 0 HD11 ILE A 55 76.547 5.253 -18.163 1.00 0.00 H new ATOM 0 HD12 ILE A 55 76.627 3.533 -17.713 1.00 0.00 H new ATOM 0 HD13 ILE A 55 76.913 4.788 -16.484 1.00 0.00 H new ATOM 894 N ALA A 56 82.368 2.558 -15.859 1.00 0.00 N ATOM 895 CA ALA A 56 83.122 1.558 -15.041 1.00 0.00 C ATOM 896 C ALA A 56 82.401 1.316 -13.702 1.00 0.00 C ATOM 897 O ALA A 56 81.808 2.231 -13.161 1.00 0.00 O ATOM 898 CB ALA A 56 84.496 2.188 -14.802 1.00 0.00 C ATOM 0 H ALA A 56 82.666 3.526 -15.740 1.00 0.00 H new ATOM 0 HA ALA A 56 83.200 0.593 -15.542 1.00 0.00 H new ATOM 0 HB1 ALA A 56 85.108 1.511 -14.207 1.00 0.00 H new ATOM 0 HB2 ALA A 56 84.984 2.371 -15.759 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.376 3.132 -14.270 1.00 0.00 H new ATOM 904 N PRO A 57 82.467 0.092 -13.200 1.00 0.00 N ATOM 905 CA PRO A 57 81.830 -0.225 -11.890 1.00 0.00 C ATOM 906 C PRO A 57 82.486 0.583 -10.763 1.00 0.00 C ATOM 907 O PRO A 57 83.660 0.903 -10.822 1.00 0.00 O ATOM 908 CB PRO A 57 82.079 -1.726 -11.697 1.00 0.00 C ATOM 909 CG PRO A 57 82.514 -2.244 -13.032 1.00 0.00 C ATOM 910 CD PRO A 57 83.118 -1.091 -13.783 1.00 0.00 C ATOM 0 HA PRO A 57 80.769 0.025 -11.871 1.00 0.00 H new ATOM 0 HB2 PRO A 57 82.845 -1.901 -10.942 1.00 0.00 H new ATOM 0 HB3 PRO A 57 81.175 -2.232 -11.357 1.00 0.00 H new ATOM 0 HG2 PRO A 57 83.240 -3.048 -12.914 1.00 0.00 H new ATOM 0 HG3 PRO A 57 81.666 -2.657 -13.579 1.00 0.00 H new ATOM 0 HD2 PRO A 57 84.200 -1.055 -13.656 1.00 0.00 H new ATOM 0 HD3 PRO A 57 82.925 -1.166 -14.853 1.00 0.00 H new ATOM 918 N GLN A 58 81.734 0.912 -9.741 1.00 0.00 N ATOM 919 CA GLN A 58 82.309 1.672 -8.589 1.00 0.00 C ATOM 920 C GLN A 58 82.708 0.707 -7.468 1.00 0.00 C ATOM 921 O GLN A 58 81.888 -0.034 -6.958 1.00 0.00 O ATOM 922 CB GLN A 58 81.187 2.602 -8.123 1.00 0.00 C ATOM 923 CG GLN A 58 80.912 3.653 -9.201 1.00 0.00 C ATOM 924 CD GLN A 58 79.767 4.563 -8.751 1.00 0.00 C ATOM 925 OE1 GLN A 58 78.833 4.117 -8.114 1.00 0.00 O ATOM 926 NE2 GLN A 58 79.800 5.832 -9.056 1.00 0.00 N ATOM 0 H GLN A 58 80.743 0.686 -9.656 1.00 0.00 H new ATOM 0 HA GLN A 58 83.205 2.226 -8.867 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.283 2.026 -7.923 1.00 0.00 H new ATOM 0 HB3 GLN A 58 81.468 3.089 -7.189 1.00 0.00 H new ATOM 0 HG2 GLN A 58 81.809 4.244 -9.384 1.00 0.00 H new ATOM 0 HG3 GLN A 58 80.654 3.165 -10.141 1.00 0.00 H new ATOM 0 HE21 GLN A 58 80.583 6.208 -9.591 1.00 0.00 H new ATOM 0 HE22 GLN A 58 79.043 6.448 -8.760 1.00 0.00 H new ATOM 935 N SER A 59 83.962 0.714 -7.086 1.00 0.00 N ATOM 936 CA SER A 59 84.431 -0.208 -6.005 1.00 0.00 C ATOM 937 C SER A 59 84.331 0.478 -4.639 1.00 0.00 C ATOM 938 O SER A 59 84.082 -0.163 -3.634 1.00 0.00 O ATOM 939 CB SER A 59 85.890 -0.513 -6.345 1.00 0.00 C ATOM 940 OG SER A 59 86.346 -1.587 -5.534 1.00 0.00 O ATOM 0 H SER A 59 84.683 1.320 -7.478 1.00 0.00 H new ATOM 0 HA SER A 59 83.828 -1.114 -5.949 1.00 0.00 H new ATOM 0 HB2 SER A 59 85.983 -0.773 -7.399 1.00 0.00 H new ATOM 0 HB3 SER A 59 86.507 0.370 -6.179 1.00 0.00 H new ATOM 0 HG SER A 59 87.281 -1.786 -5.750 1.00 0.00 H new ATOM 946 N GLN A 60 84.523 1.776 -4.598 1.00 0.00 N ATOM 947 CA GLN A 60 84.455 2.516 -3.293 1.00 0.00 C ATOM 948 C GLN A 60 83.052 2.405 -2.683 1.00 0.00 C ATOM 949 O GLN A 60 82.057 2.464 -3.382 1.00 0.00 O ATOM 950 CB GLN A 60 84.770 3.975 -3.639 1.00 0.00 C ATOM 951 CG GLN A 60 84.964 4.777 -2.349 1.00 0.00 C ATOM 952 CD GLN A 60 86.300 4.397 -1.708 1.00 0.00 C ATOM 953 OE1 GLN A 60 87.348 4.636 -2.273 1.00 0.00 O ATOM 954 NE2 GLN A 60 86.306 3.810 -0.542 1.00 0.00 N ATOM 0 H GLN A 60 84.724 2.357 -5.412 1.00 0.00 H new ATOM 0 HA GLN A 60 85.152 2.109 -2.561 1.00 0.00 H new ATOM 0 HB2 GLN A 60 85.670 4.028 -4.251 1.00 0.00 H new ATOM 0 HB3 GLN A 60 83.959 4.403 -4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 60 84.943 5.845 -2.566 1.00 0.00 H new ATOM 0 HG3 GLN A 60 84.146 4.576 -1.657 1.00 0.00 H new ATOM 0 HE21 GLN A 60 85.426 3.609 -0.068 1.00 0.00 H new ATOM 0 HE22 GLN A 60 87.191 3.552 -0.105 1.00 0.00 H new ATOM 963 N ILE A 61 82.974 2.244 -1.384 1.00 0.00 N ATOM 964 CA ILE A 61 81.642 2.140 -0.709 1.00 0.00 C ATOM 965 C ILE A 61 81.239 3.509 -0.148 1.00 0.00 C ATOM 966 O ILE A 61 82.079 4.296 0.249 1.00 0.00 O ATOM 967 CB ILE A 61 81.843 1.124 0.432 1.00 0.00 C ATOM 968 CG1 ILE A 61 82.360 -0.220 -0.126 1.00 0.00 C ATOM 969 CG2 ILE A 61 80.516 0.895 1.167 1.00 0.00 C ATOM 970 CD1 ILE A 61 81.376 -0.797 -1.156 1.00 0.00 C ATOM 0 H ILE A 61 83.778 2.180 -0.760 1.00 0.00 H new ATOM 0 HA ILE A 61 80.853 1.824 -1.392 1.00 0.00 H new ATOM 0 HB ILE A 61 82.580 1.526 1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.336 -0.075 -0.590 1.00 0.00 H new ATOM 0 HG13 ILE A 61 82.497 -0.929 0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 61 80.665 0.176 1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 61 80.163 1.838 1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 61 79.775 0.508 0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 61 81.760 -1.744 -1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 61 80.408 -0.962 -0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 61 81.260 -0.095 -1.982 1.00 0.00 H new ATOM 982 N TYR A 62 79.959 3.794 -0.114 1.00 0.00 N ATOM 983 CA TYR A 62 79.492 5.116 0.405 1.00 0.00 C ATOM 984 C TYR A 62 79.140 5.006 1.891 1.00 0.00 C ATOM 985 O TYR A 62 78.211 4.314 2.264 1.00 0.00 O ATOM 986 CB TYR A 62 78.245 5.447 -0.413 1.00 0.00 C ATOM 987 CG TYR A 62 78.543 5.851 -1.837 1.00 0.00 C ATOM 988 CD1 TYR A 62 79.083 4.906 -2.744 1.00 0.00 C ATOM 989 CD2 TYR A 62 78.281 7.174 -2.267 1.00 0.00 C ATOM 990 CE1 TYR A 62 79.360 5.285 -4.080 1.00 0.00 C ATOM 991 CE2 TYR A 62 78.559 7.553 -3.602 1.00 0.00 C ATOM 992 CZ TYR A 62 79.098 6.609 -4.509 1.00 0.00 C ATOM 993 OH TYR A 62 79.368 6.978 -5.811 1.00 0.00 O ATOM 0 H TYR A 62 79.217 3.166 -0.424 1.00 0.00 H new ATOM 0 HA TYR A 62 80.257 5.887 0.313 1.00 0.00 H new ATOM 0 HB2 TYR A 62 77.586 4.579 -0.421 1.00 0.00 H new ATOM 0 HB3 TYR A 62 77.703 6.255 0.079 1.00 0.00 H new ATOM 0 HD1 TYR A 62 79.283 3.897 -2.416 1.00 0.00 H new ATOM 0 HD2 TYR A 62 77.869 7.894 -1.576 1.00 0.00 H new ATOM 0 HE1 TYR A 62 79.771 4.565 -4.772 1.00 0.00 H new ATOM 0 HE2 TYR A 62 78.360 8.563 -3.929 1.00 0.00 H new ATOM 0 HH TYR A 62 79.129 7.920 -5.940 1.00 0.00 H new ATOM 1003 N ASP A 63 79.884 5.681 2.739 1.00 0.00 N ATOM 1004 CA ASP A 63 79.579 5.678 4.213 1.00 0.00 C ATOM 1005 C ASP A 63 78.109 6.034 4.487 1.00 0.00 C ATOM 1006 O ASP A 63 77.462 5.425 5.319 1.00 0.00 O ATOM 1007 CB ASP A 63 80.490 6.758 4.807 1.00 0.00 C ATOM 1008 CG ASP A 63 81.952 6.320 4.690 1.00 0.00 C ATOM 1009 OD1 ASP A 63 82.227 5.158 4.944 1.00 0.00 O ATOM 1010 OD2 ASP A 63 82.774 7.155 4.348 1.00 0.00 O ATOM 0 H ASP A 63 80.696 6.238 2.473 1.00 0.00 H new ATOM 0 HA ASP A 63 79.746 4.692 4.647 1.00 0.00 H new ATOM 0 HB2 ASP A 63 80.340 7.702 4.284 1.00 0.00 H new ATOM 0 HB3 ASP A 63 80.234 6.929 5.853 1.00 0.00 H new ATOM 1015 N TYR A 64 77.586 7.015 3.791 1.00 0.00 N ATOM 1016 CA TYR A 64 76.200 7.498 4.082 1.00 0.00 C ATOM 1017 C TYR A 64 75.575 8.103 2.822 1.00 0.00 C ATOM 1018 O TYR A 64 76.171 8.937 2.165 1.00 0.00 O ATOM 1019 CB TYR A 64 76.380 8.573 5.157 1.00 0.00 C ATOM 1020 CG TYR A 64 75.089 9.022 5.811 1.00 0.00 C ATOM 1021 CD1 TYR A 64 74.097 9.697 5.053 1.00 0.00 C ATOM 1022 CD2 TYR A 64 74.877 8.779 7.190 1.00 0.00 C ATOM 1023 CE1 TYR A 64 72.900 10.126 5.675 1.00 0.00 C ATOM 1024 CE2 TYR A 64 73.678 9.208 7.809 1.00 0.00 C ATOM 1025 CZ TYR A 64 72.691 9.881 7.053 1.00 0.00 C ATOM 1026 OH TYR A 64 71.524 10.300 7.658 1.00 0.00 O ATOM 0 H TYR A 64 78.061 7.503 3.032 1.00 0.00 H new ATOM 0 HA TYR A 64 75.540 6.694 4.409 1.00 0.00 H new ATOM 0 HB2 TYR A 64 77.050 8.192 5.927 1.00 0.00 H new ATOM 0 HB3 TYR A 64 76.868 9.439 4.710 1.00 0.00 H new ATOM 0 HD1 TYR A 64 74.255 9.883 4.001 1.00 0.00 H new ATOM 0 HD2 TYR A 64 75.630 8.266 7.770 1.00 0.00 H new ATOM 0 HE1 TYR A 64 72.146 10.640 5.098 1.00 0.00 H new ATOM 0 HE2 TYR A 64 73.517 9.021 8.860 1.00 0.00 H new ATOM 0 HH TYR A 64 71.540 10.052 8.606 1.00 0.00 H new ATOM 1036 N ILE A 65 74.378 7.687 2.485 1.00 0.00 N ATOM 1037 CA ILE A 65 73.630 8.355 1.370 1.00 0.00 C ATOM 1038 C ILE A 65 72.220 8.735 1.842 1.00 0.00 C ATOM 1039 O ILE A 65 71.497 7.918 2.384 1.00 0.00 O ATOM 1040 CB ILE A 65 73.573 7.327 0.225 1.00 0.00 C ATOM 1041 CG1 ILE A 65 75.004 6.996 -0.235 1.00 0.00 C ATOM 1042 CG2 ILE A 65 72.780 7.909 -0.957 1.00 0.00 C ATOM 1043 CD1 ILE A 65 74.972 5.940 -1.349 1.00 0.00 C ATOM 0 H ILE A 65 73.886 6.914 2.933 1.00 0.00 H new ATOM 0 HA ILE A 65 74.116 9.275 1.043 1.00 0.00 H new ATOM 0 HB ILE A 65 73.081 6.421 0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 65 75.496 7.900 -0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 65 75.589 6.628 0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 65 72.742 7.178 -1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 65 71.766 8.145 -0.634 1.00 0.00 H new ATOM 0 HG23 ILE A 65 73.269 8.817 -1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 65 75.990 5.714 -1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 65 74.498 5.032 -0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 65 74.405 6.323 -2.197 1.00 0.00 H new ATOM 1055 N LEU A 66 71.834 9.972 1.638 1.00 0.00 N ATOM 1056 CA LEU A 66 70.448 10.408 1.993 1.00 0.00 C ATOM 1057 C LEU A 66 69.517 10.209 0.793 1.00 0.00 C ATOM 1058 O LEU A 66 69.871 10.513 -0.331 1.00 0.00 O ATOM 1059 CB LEU A 66 70.571 11.895 2.340 1.00 0.00 C ATOM 1060 CG LEU A 66 69.238 12.408 2.894 1.00 0.00 C ATOM 1061 CD1 LEU A 66 69.006 11.830 4.292 1.00 0.00 C ATOM 1062 CD2 LEU A 66 69.276 13.935 2.974 1.00 0.00 C ATOM 0 H LEU A 66 72.424 10.702 1.238 1.00 0.00 H new ATOM 0 HA LEU A 66 70.032 9.835 2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 66 71.362 12.043 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 66 70.850 12.463 1.453 1.00 0.00 H new ATOM 0 HG LEU A 66 68.427 12.096 2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.057 12.196 4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 66 68.980 10.742 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.816 12.140 4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 66 68.328 14.302 3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 66 70.087 14.245 3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 66 69.439 14.348 1.978 1.00 0.00 H new ATOM 1074 N PHE A 67 68.332 9.701 1.028 1.00 0.00 N ATOM 1075 CA PHE A 67 67.404 9.388 -0.101 1.00 0.00 C ATOM 1076 C PHE A 67 65.990 9.889 0.210 1.00 0.00 C ATOM 1077 O PHE A 67 65.439 9.597 1.255 1.00 0.00 O ATOM 1078 CB PHE A 67 67.414 7.861 -0.207 1.00 0.00 C ATOM 1079 CG PHE A 67 68.496 7.306 -1.107 1.00 0.00 C ATOM 1080 CD1 PHE A 67 68.754 7.901 -2.366 1.00 0.00 C ATOM 1081 CD2 PHE A 67 69.236 6.169 -0.699 1.00 0.00 C ATOM 1082 CE1 PHE A 67 69.748 7.361 -3.212 1.00 0.00 C ATOM 1083 CE2 PHE A 67 70.235 5.632 -1.545 1.00 0.00 C ATOM 1084 CZ PHE A 67 70.491 6.228 -2.803 1.00 0.00 C ATOM 0 H PHE A 67 67.967 9.489 1.957 1.00 0.00 H new ATOM 0 HA PHE A 67 67.712 9.869 -1.029 1.00 0.00 H new ATOM 0 HB2 PHE A 67 67.537 7.440 0.791 1.00 0.00 H new ATOM 0 HB3 PHE A 67 66.444 7.528 -0.576 1.00 0.00 H new ATOM 0 HD1 PHE A 67 68.191 8.768 -2.679 1.00 0.00 H new ATOM 0 HD2 PHE A 67 69.037 5.712 0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 67 69.941 7.814 -4.173 1.00 0.00 H new ATOM 0 HE2 PHE A 67 70.802 4.768 -1.231 1.00 0.00 H new ATOM 0 HZ PHE A 67 71.253 5.819 -3.450 1.00 0.00 H new ATOM 1094 N ARG A 68 65.405 10.641 -0.690 1.00 0.00 N ATOM 1095 CA ARG A 68 63.971 11.036 -0.530 1.00 0.00 C ATOM 1096 C ARG A 68 63.060 10.019 -1.229 1.00 0.00 C ATOM 1097 O ARG A 68 63.415 9.448 -2.248 1.00 0.00 O ATOM 1098 CB ARG A 68 63.853 12.408 -1.200 1.00 0.00 C ATOM 1099 CG ARG A 68 64.668 13.437 -0.412 1.00 0.00 C ATOM 1100 CD ARG A 68 64.427 14.836 -0.990 1.00 0.00 C ATOM 1101 NE ARG A 68 65.065 14.825 -2.347 1.00 0.00 N ATOM 1102 CZ ARG A 68 65.310 15.946 -3.000 1.00 0.00 C ATOM 1103 NH1 ARG A 68 65.003 17.119 -2.494 1.00 0.00 N ATOM 1104 NH2 ARG A 68 65.868 15.887 -4.177 1.00 0.00 N ATOM 0 H ARG A 68 65.860 10.999 -1.530 1.00 0.00 H new ATOM 0 HA ARG A 68 63.670 11.069 0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 68 64.213 12.354 -2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 68 62.808 12.714 -1.244 1.00 0.00 H new ATOM 0 HG2 ARG A 68 64.383 13.413 0.640 1.00 0.00 H new ATOM 0 HG3 ARG A 68 65.729 13.190 -0.461 1.00 0.00 H new ATOM 0 HD2 ARG A 68 63.361 15.054 -1.059 1.00 0.00 H new ATOM 0 HD3 ARG A 68 64.868 15.604 -0.355 1.00 0.00 H new ATOM 0 HE ARG A 68 65.315 13.933 -2.774 1.00 0.00 H new ATOM 0 HH11 ARG A 68 64.564 17.179 -1.575 1.00 0.00 H new ATOM 0 HH12 ARG A 68 65.203 17.970 -3.020 1.00 0.00 H new ATOM 0 HH21 ARG A 68 66.110 14.983 -4.582 1.00 0.00 H new ATOM 0 HH22 ARG A 68 66.063 16.745 -4.693 1.00 0.00 H new ATOM 1118 N GLY A 69 61.885 9.791 -0.691 1.00 0.00 N ATOM 1119 CA GLY A 69 60.932 8.821 -1.321 1.00 0.00 C ATOM 1120 C GLY A 69 60.600 9.249 -2.760 1.00 0.00 C ATOM 1121 O GLY A 69 60.265 8.427 -3.593 1.00 0.00 O ATOM 0 H GLY A 69 61.544 10.237 0.161 1.00 0.00 H new ATOM 0 HA2 GLY A 69 61.369 7.823 -1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.017 8.766 -0.731 1.00 0.00 H new ATOM 1125 N SER A 70 60.689 10.526 -3.054 1.00 0.00 N ATOM 1126 CA SER A 70 60.331 11.018 -4.424 1.00 0.00 C ATOM 1127 C SER A 70 61.300 10.466 -5.477 1.00 0.00 C ATOM 1128 O SER A 70 60.895 10.098 -6.565 1.00 0.00 O ATOM 1129 CB SER A 70 60.441 12.543 -4.350 1.00 0.00 C ATOM 1130 OG SER A 70 59.959 13.108 -5.562 1.00 0.00 O ATOM 0 H SER A 70 60.995 11.249 -2.403 1.00 0.00 H new ATOM 0 HA SER A 70 59.333 10.692 -4.716 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.865 12.920 -3.505 1.00 0.00 H new ATOM 0 HB3 SER A 70 61.478 12.837 -4.185 1.00 0.00 H new ATOM 0 HG SER A 70 60.027 14.085 -5.517 1.00 0.00 H new ATOM 1136 N ASP A 71 62.574 10.405 -5.164 1.00 0.00 N ATOM 1137 CA ASP A 71 63.583 9.982 -6.190 1.00 0.00 C ATOM 1138 C ASP A 71 63.634 8.454 -6.308 1.00 0.00 C ATOM 1139 O ASP A 71 63.886 7.921 -7.373 1.00 0.00 O ATOM 1140 CB ASP A 71 64.931 10.554 -5.717 1.00 0.00 C ATOM 1141 CG ASP A 71 65.317 9.978 -4.349 1.00 0.00 C ATOM 1142 OD1 ASP A 71 65.632 8.802 -4.290 1.00 0.00 O ATOM 1143 OD2 ASP A 71 65.297 10.726 -3.387 1.00 0.00 O ATOM 0 H ASP A 71 62.958 10.629 -4.246 1.00 0.00 H new ATOM 0 HA ASP A 71 63.326 10.354 -7.182 1.00 0.00 H new ATOM 0 HB2 ASP A 71 65.706 10.321 -6.447 1.00 0.00 H new ATOM 0 HB3 ASP A 71 64.868 11.640 -5.655 1.00 0.00 H new ATOM 1148 N ILE A 72 63.399 7.748 -5.228 1.00 0.00 N ATOM 1149 CA ILE A 72 63.382 6.253 -5.296 1.00 0.00 C ATOM 1150 C ILE A 72 61.936 5.742 -5.330 1.00 0.00 C ATOM 1151 O ILE A 72 61.066 6.253 -4.651 1.00 0.00 O ATOM 1152 CB ILE A 72 64.162 5.799 -4.047 1.00 0.00 C ATOM 1153 CG1 ILE A 72 65.663 5.873 -4.364 1.00 0.00 C ATOM 1154 CG2 ILE A 72 63.803 4.356 -3.654 1.00 0.00 C ATOM 1155 CD1 ILE A 72 66.449 6.152 -3.088 1.00 0.00 C ATOM 0 H ILE A 72 63.219 8.142 -4.304 1.00 0.00 H new ATOM 0 HA ILE A 72 63.842 5.851 -6.199 1.00 0.00 H new ATOM 0 HB ILE A 72 63.902 6.451 -3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 72 65.996 4.936 -4.809 1.00 0.00 H new ATOM 0 HG13 ILE A 72 65.851 6.658 -5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 72 64.371 4.068 -2.769 1.00 0.00 H new ATOM 0 HG22 ILE A 72 62.737 4.293 -3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 72 64.047 3.684 -4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 72 67.513 6.203 -3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 72 66.125 7.101 -2.661 1.00 0.00 H new ATOM 0 HD13 ILE A 72 66.272 5.352 -2.370 1.00 0.00 H new ATOM 1167 N LYS A 73 61.690 4.728 -6.125 1.00 0.00 N ATOM 1168 CA LYS A 73 60.287 4.324 -6.431 1.00 0.00 C ATOM 1169 C LYS A 73 59.890 3.053 -5.671 1.00 0.00 C ATOM 1170 O LYS A 73 58.714 2.785 -5.499 1.00 0.00 O ATOM 1171 CB LYS A 73 60.274 4.070 -7.939 1.00 0.00 C ATOM 1172 CG LYS A 73 58.831 3.898 -8.418 1.00 0.00 C ATOM 1173 CD LYS A 73 58.139 5.262 -8.456 1.00 0.00 C ATOM 1174 CE LYS A 73 56.723 5.102 -9.014 1.00 0.00 C ATOM 1175 NZ LYS A 73 56.890 5.116 -10.494 1.00 0.00 N ATOM 0 H LYS A 73 62.408 4.161 -6.576 1.00 0.00 H new ATOM 0 HA LYS A 73 59.574 5.091 -6.129 1.00 0.00 H new ATOM 0 HB2 LYS A 73 60.745 4.902 -8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 73 60.854 3.177 -8.173 1.00 0.00 H new ATOM 0 HG2 LYS A 73 58.817 3.444 -9.409 1.00 0.00 H new ATOM 0 HG3 LYS A 73 58.293 3.224 -7.751 1.00 0.00 H new ATOM 0 HD2 LYS A 73 58.100 5.690 -7.454 1.00 0.00 H new ATOM 0 HD3 LYS A 73 58.709 5.954 -9.076 1.00 0.00 H new ATOM 0 HE2 LYS A 73 56.268 4.171 -8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 73 56.074 5.912 -8.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 56.451 5.974 -10.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 57.903 5.108 -10.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 56.433 4.276 -10.903 1.00 0.00 H new ATOM 1189 N ASP A 74 60.841 2.264 -5.212 1.00 0.00 N ATOM 1190 CA ASP A 74 60.461 1.007 -4.490 1.00 0.00 C ATOM 1191 C ASP A 74 61.531 0.608 -3.471 1.00 0.00 C ATOM 1192 O ASP A 74 62.711 0.607 -3.761 1.00 0.00 O ATOM 1193 CB ASP A 74 60.326 -0.057 -5.580 1.00 0.00 C ATOM 1194 CG ASP A 74 59.630 -1.294 -5.007 1.00 0.00 C ATOM 1195 OD1 ASP A 74 59.988 -1.698 -3.913 1.00 0.00 O ATOM 1196 OD2 ASP A 74 58.751 -1.816 -5.672 1.00 0.00 O ATOM 0 H ASP A 74 61.843 2.434 -5.305 1.00 0.00 H new ATOM 0 HA ASP A 74 59.537 1.133 -3.925 1.00 0.00 H new ATOM 0 HB2 ASP A 74 59.754 0.338 -6.419 1.00 0.00 H new ATOM 0 HB3 ASP A 74 61.310 -0.326 -5.964 1.00 0.00 H new ATOM 1201 N ILE A 75 61.110 0.267 -2.275 1.00 0.00 N ATOM 1202 CA ILE A 75 62.066 -0.215 -1.231 1.00 0.00 C ATOM 1203 C ILE A 75 61.525 -1.502 -0.585 1.00 0.00 C ATOM 1204 O ILE A 75 60.331 -1.653 -0.397 1.00 0.00 O ATOM 1205 CB ILE A 75 62.158 0.933 -0.207 1.00 0.00 C ATOM 1206 CG1 ILE A 75 63.150 0.559 0.901 1.00 0.00 C ATOM 1207 CG2 ILE A 75 60.783 1.210 0.417 1.00 0.00 C ATOM 1208 CD1 ILE A 75 63.517 1.809 1.704 1.00 0.00 C ATOM 0 H ILE A 75 60.135 0.303 -1.977 1.00 0.00 H new ATOM 0 HA ILE A 75 63.047 -0.458 -1.638 1.00 0.00 H new ATOM 0 HB ILE A 75 62.500 1.830 -0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 75 62.711 -0.192 1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 75 64.047 0.117 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 75 60.868 2.024 1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 75 60.078 1.490 -0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 75 60.426 0.313 0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 75 64.222 1.542 2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 75 63.974 2.545 1.043 1.00 0.00 H new ATOM 0 HD13 ILE A 75 62.617 2.231 2.151 1.00 0.00 H new ATOM 1220 N ARG A 76 62.395 -2.423 -0.249 1.00 0.00 N ATOM 1221 CA ARG A 76 61.941 -3.693 0.400 1.00 0.00 C ATOM 1222 C ARG A 76 62.988 -4.177 1.409 1.00 0.00 C ATOM 1223 O ARG A 76 64.162 -4.265 1.103 1.00 0.00 O ATOM 1224 CB ARG A 76 61.794 -4.699 -0.743 1.00 0.00 C ATOM 1225 CG ARG A 76 60.638 -4.280 -1.655 1.00 0.00 C ATOM 1226 CD ARG A 76 60.351 -5.397 -2.663 1.00 0.00 C ATOM 1227 NE ARG A 76 59.367 -4.815 -3.632 1.00 0.00 N ATOM 1228 CZ ARG A 76 58.660 -5.584 -4.439 1.00 0.00 C ATOM 1229 NH1 ARG A 76 58.788 -6.891 -4.434 1.00 0.00 N ATOM 1230 NH2 ARG A 76 57.813 -5.031 -5.264 1.00 0.00 N ATOM 0 H ARG A 76 63.402 -2.350 -0.396 1.00 0.00 H new ATOM 0 HA ARG A 76 61.008 -3.562 0.948 1.00 0.00 H new ATOM 0 HB2 ARG A 76 62.720 -4.752 -1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 76 61.610 -5.696 -0.342 1.00 0.00 H new ATOM 0 HG2 ARG A 76 59.748 -4.075 -1.060 1.00 0.00 H new ATOM 0 HG3 ARG A 76 60.890 -3.358 -2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 76 61.263 -5.712 -3.170 1.00 0.00 H new ATOM 0 HD3 ARG A 76 59.941 -6.277 -2.168 1.00 0.00 H new ATOM 0 HE ARG A 76 59.241 -3.803 -3.669 1.00 0.00 H new ATOM 0 HH11 ARG A 76 59.447 -7.336 -3.795 1.00 0.00 H new ATOM 0 HH12 ARG A 76 58.229 -7.461 -5.069 1.00 0.00 H new ATOM 0 HH21 ARG A 76 57.704 -4.017 -5.279 1.00 0.00 H new ATOM 0 HH22 ARG A 76 57.260 -5.613 -5.893 1.00 0.00 H new ATOM 1244 N VAL A 77 62.564 -4.488 2.611 1.00 0.00 N ATOM 1245 CA VAL A 77 63.521 -4.988 3.651 1.00 0.00 C ATOM 1246 C VAL A 77 63.647 -6.513 3.550 1.00 0.00 C ATOM 1247 O VAL A 77 62.684 -7.203 3.269 1.00 0.00 O ATOM 1248 CB VAL A 77 62.906 -4.583 5.002 1.00 0.00 C ATOM 1249 CG1 VAL A 77 63.841 -4.999 6.143 1.00 0.00 C ATOM 1250 CG2 VAL A 77 62.707 -3.062 5.050 1.00 0.00 C ATOM 0 H VAL A 77 61.594 -4.417 2.918 1.00 0.00 H new ATOM 0 HA VAL A 77 64.521 -4.572 3.527 1.00 0.00 H new ATOM 0 HB VAL A 77 61.944 -5.082 5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 77 63.401 -4.710 7.098 1.00 0.00 H new ATOM 0 HG12 VAL A 77 63.983 -6.079 6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 77 64.805 -4.504 6.023 1.00 0.00 H new ATOM 0 HG21 VAL A 77 62.271 -2.782 6.009 1.00 0.00 H new ATOM 0 HG22 VAL A 77 63.670 -2.565 4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 77 62.038 -2.757 4.245 1.00 0.00 H new ATOM 1260 N VAL A 78 64.827 -7.040 3.776 1.00 0.00 N ATOM 1261 CA VAL A 78 65.019 -8.523 3.706 1.00 0.00 C ATOM 1262 C VAL A 78 64.859 -9.131 5.105 1.00 0.00 C ATOM 1263 O VAL A 78 65.462 -8.676 6.059 1.00 0.00 O ATOM 1264 CB VAL A 78 66.450 -8.727 3.182 1.00 0.00 C ATOM 1265 CG1 VAL A 78 66.744 -10.224 3.036 1.00 0.00 C ATOM 1266 CG2 VAL A 78 66.603 -8.056 1.811 1.00 0.00 C ATOM 0 H VAL A 78 65.665 -6.507 4.006 1.00 0.00 H new ATOM 0 HA VAL A 78 64.288 -9.007 3.058 1.00 0.00 H new ATOM 0 HB VAL A 78 67.149 -8.282 3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 78 67.760 -10.361 2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 78 66.644 -10.711 4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 78 66.038 -10.667 2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 78 67.619 -8.204 1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 78 65.896 -8.498 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 78 66.403 -6.989 1.904 1.00 0.00 H new ATOM 1276 N ASN A 79 64.050 -10.156 5.227 1.00 0.00 N ATOM 1277 CA ASN A 79 63.832 -10.799 6.560 1.00 0.00 C ATOM 1278 C ASN A 79 64.308 -12.254 6.531 1.00 0.00 C ATOM 1279 O ASN A 79 64.113 -12.959 5.557 1.00 0.00 O ATOM 1280 CB ASN A 79 62.321 -10.735 6.789 1.00 0.00 C ATOM 1281 CG ASN A 79 61.890 -9.278 6.968 1.00 0.00 C ATOM 1282 OD1 ASN A 79 60.991 -8.812 6.296 1.00 0.00 O ATOM 1283 ND2 ASN A 79 62.496 -8.534 7.852 1.00 0.00 N ATOM 0 H ASN A 79 63.529 -10.576 4.457 1.00 0.00 H new ATOM 0 HA ASN A 79 64.387 -10.299 7.354 1.00 0.00 H new ATOM 0 HB2 ASN A 79 61.796 -11.179 5.943 1.00 0.00 H new ATOM 0 HB3 ASN A 79 62.052 -11.315 7.672 1.00 0.00 H new ATOM 0 HD21 ASN A 79 62.215 -7.562 7.979 1.00 0.00 H new ATOM 0 HD22 ASN A 79 63.251 -8.925 8.416 1.00 0.00 H new ATOM 1290 N ASN A 80 64.932 -12.704 7.593 1.00 0.00 N ATOM 1291 CA ASN A 80 65.412 -14.119 7.649 1.00 0.00 C ATOM 1292 C ASN A 80 64.518 -14.942 8.580 1.00 0.00 C ATOM 1293 O ASN A 80 64.223 -14.535 9.688 1.00 0.00 O ATOM 1294 CB ASN A 80 66.835 -14.036 8.207 1.00 0.00 C ATOM 1295 CG ASN A 80 67.743 -13.328 7.198 1.00 0.00 C ATOM 1296 OD1 ASN A 80 67.599 -13.502 6.004 1.00 0.00 O ATOM 1297 ND2 ASN A 80 68.681 -12.530 7.632 1.00 0.00 N ATOM 0 H ASN A 80 65.130 -12.149 8.426 1.00 0.00 H new ATOM 0 HA ASN A 80 65.386 -14.602 6.672 1.00 0.00 H new ATOM 0 HB2 ASN A 80 66.834 -13.495 9.153 1.00 0.00 H new ATOM 0 HB3 ASN A 80 67.214 -15.037 8.413 1.00 0.00 H new ATOM 0 HD21 ASN A 80 69.292 -12.053 6.969 1.00 0.00 H new ATOM 0 HD22 ASN A 80 68.803 -12.383 8.634 1.00 0.00 H new ATOM 1304 N HIS A 81 64.086 -16.097 8.133 1.00 0.00 N ATOM 1305 CA HIS A 81 63.201 -16.957 8.979 1.00 0.00 C ATOM 1306 C HIS A 81 63.869 -18.310 9.238 1.00 0.00 C ATOM 1307 O HIS A 81 64.492 -18.880 8.361 1.00 0.00 O ATOM 1308 CB HIS A 81 61.924 -17.138 8.159 1.00 0.00 C ATOM 1309 CG HIS A 81 61.174 -15.854 7.926 1.00 0.00 C ATOM 1310 ND1 HIS A 81 61.382 -15.070 6.802 1.00 0.00 N ATOM 1311 CD2 HIS A 81 60.215 -15.206 8.664 1.00 0.00 C ATOM 1312 CE1 HIS A 81 60.565 -14.005 6.895 1.00 0.00 C ATOM 1313 NE2 HIS A 81 59.832 -14.038 8.011 1.00 0.00 N ATOM 0 H HIS A 81 64.310 -16.482 7.215 1.00 0.00 H new ATOM 0 HA HIS A 81 63.000 -16.511 9.953 1.00 0.00 H new ATOM 0 HB2 HIS A 81 62.179 -17.580 7.196 1.00 0.00 H new ATOM 0 HB3 HIS A 81 61.270 -17.844 8.671 1.00 0.00 H new ATOM 0 HD2 HIS A 81 59.818 -15.550 9.608 1.00 0.00 H new ATOM 0 HE1 HIS A 81 60.509 -13.219 6.157 1.00 0.00 H new ATOM 0 HE2 HIS A 81 59.140 -13.354 8.319 1.00 0.00 H new ATOM 1321 N THR A 82 63.741 -18.825 10.438 1.00 0.00 N ATOM 1322 CA THR A 82 64.359 -20.146 10.769 1.00 0.00 C ATOM 1323 C THR A 82 63.284 -21.125 11.250 1.00 0.00 C ATOM 1324 O THR A 82 62.397 -20.762 12.001 1.00 0.00 O ATOM 1325 CB THR A 82 65.355 -19.846 11.891 1.00 0.00 C ATOM 1326 OG1 THR A 82 66.194 -18.767 11.501 1.00 0.00 O ATOM 1327 CG2 THR A 82 66.210 -21.085 12.164 1.00 0.00 C ATOM 0 H THR A 82 63.233 -18.384 11.205 1.00 0.00 H new ATOM 0 HA THR A 82 64.843 -20.605 9.907 1.00 0.00 H new ATOM 0 HB THR A 82 64.811 -19.577 12.796 1.00 0.00 H new ATOM 0 HG1 THR A 82 66.832 -18.572 12.219 1.00 0.00 H new ATOM 0 HG21 THR A 82 66.919 -20.869 12.963 1.00 0.00 H new ATOM 0 HG22 THR A 82 65.567 -21.912 12.463 1.00 0.00 H new ATOM 0 HG23 THR A 82 66.755 -21.358 11.260 1.00 0.00 H new ATOM 1335 N LEU A 83 63.361 -22.362 10.821 1.00 0.00 N ATOM 1336 CA LEU A 83 62.350 -23.377 11.246 1.00 0.00 C ATOM 1337 C LEU A 83 63.004 -24.425 12.166 1.00 0.00 C ATOM 1338 O LEU A 83 63.800 -25.220 11.705 1.00 0.00 O ATOM 1339 CB LEU A 83 61.882 -24.031 9.945 1.00 0.00 C ATOM 1340 CG LEU A 83 60.510 -24.672 10.160 1.00 0.00 C ATOM 1341 CD1 LEU A 83 59.809 -24.842 8.811 1.00 0.00 C ATOM 1342 CD2 LEU A 83 60.686 -26.042 10.818 1.00 0.00 C ATOM 0 H LEU A 83 64.084 -22.712 10.192 1.00 0.00 H new ATOM 0 HA LEU A 83 61.526 -22.932 11.804 1.00 0.00 H new ATOM 0 HB2 LEU A 83 61.827 -23.286 9.151 1.00 0.00 H new ATOM 0 HB3 LEU A 83 62.601 -24.785 9.626 1.00 0.00 H new ATOM 0 HG LEU A 83 59.907 -24.033 10.805 1.00 0.00 H new ATOM 0 HD11 LEU A 83 58.831 -25.299 8.964 1.00 0.00 H new ATOM 0 HD12 LEU A 83 59.684 -23.867 8.340 1.00 0.00 H new ATOM 0 HD13 LEU A 83 60.411 -25.482 8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 83 59.709 -26.500 10.972 1.00 0.00 H new ATOM 0 HD22 LEU A 83 61.289 -26.681 10.173 1.00 0.00 H new ATOM 0 HD23 LEU A 83 61.186 -25.922 11.779 1.00 0.00 H new ATOM 1354 N PRO A 84 62.654 -24.402 13.443 1.00 0.00 N ATOM 1355 CA PRO A 84 63.221 -25.392 14.401 1.00 0.00 C ATOM 1356 C PRO A 84 62.762 -26.811 14.040 1.00 0.00 C ATOM 1357 O PRO A 84 63.595 -27.589 13.606 1.00 0.00 O ATOM 1358 CB PRO A 84 62.660 -24.968 15.765 1.00 0.00 C ATOM 1359 CG PRO A 84 62.089 -23.599 15.564 1.00 0.00 C ATOM 1360 CD PRO A 84 61.727 -23.479 14.111 1.00 0.00 C ATOM 1361 OXT PRO A 84 61.586 -27.092 14.204 1.00 0.00 O ATOM 0 HA PRO A 84 64.311 -25.409 14.390 1.00 0.00 H new ATOM 0 HB2 PRO A 84 61.894 -25.665 16.106 1.00 0.00 H new ATOM 0 HB3 PRO A 84 63.443 -24.958 16.524 1.00 0.00 H new ATOM 0 HG2 PRO A 84 61.211 -23.452 16.193 1.00 0.00 H new ATOM 0 HG3 PRO A 84 62.814 -22.835 15.845 1.00 0.00 H new ATOM 0 HD2 PRO A 84 60.688 -23.757 13.933 1.00 0.00 H new ATOM 0 HD3 PRO A 84 61.850 -22.458 13.751 1.00 0.00 H new TER 1369 PRO A 84