USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=23 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 79 ASN : amide:sc= -1.89 K(o=-2.7,f=-9.9!) USER MOD Set 1.2: A 80 ASN : amide:sc= -0.82 K(o=-2.7,f=-3.2) USER MOD Set 2.1: A 58 GLN : amide:sc= 1.04 K(o=2.2,f=-3.6) USER MOD Set 2.2: A 62 TYR OH : rot 66:sc= 1.15 USER MOD Single : A 1 MET CE :methyl -152:sc= -0.182 (180deg=-1.45!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl 126:sc= -0.0771 (180deg=-0.67) USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 74:sc= 0.966 USER MOD Single : A 11 LYS NZ :NH3+ -164:sc=-0.000351 (180deg=-0.28) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 128: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= -0.0628 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.27 USER MOD Single : A 32 GLN : amide:sc=-0.00177 K(o=-0.0018,f=-0.84) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 0:sc= 1.57 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 87:sc= 1 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0759 USER MOD Single : A 52 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.4!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 64 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HE2:sc= -2.16 X(o=-2.2,f=-2.3!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 39.503 0.441 16.998 1.00 0.00 N ATOM 2 CA GLY A -3 40.356 0.606 18.210 1.00 0.00 C ATOM 3 C GLY A -3 41.416 1.676 17.947 1.00 0.00 C ATOM 4 O GLY A -3 42.211 1.560 17.033 1.00 0.00 O ATOM 0 H1 GLY A -3 38.782 -0.287 17.177 1.00 0.00 H new ATOM 0 H2 GLY A -3 39.036 1.344 16.777 1.00 0.00 H new ATOM 0 H3 GLY A -3 40.095 0.151 16.194 1.00 0.00 H new ATOM 0 HA2 GLY A -3 39.741 0.890 19.064 1.00 0.00 H new ATOM 0 HA3 GLY A -3 40.834 -0.340 18.462 1.00 0.00 H new ATOM 10 N ALA A -2 41.431 2.719 18.745 1.00 0.00 N ATOM 11 CA ALA A -2 42.439 3.810 18.548 1.00 0.00 C ATOM 12 C ALA A -2 43.849 3.293 18.855 1.00 0.00 C ATOM 13 O ALA A -2 44.814 3.698 18.234 1.00 0.00 O ATOM 14 CB ALA A -2 42.047 4.913 19.535 1.00 0.00 C ATOM 0 H ALA A -2 40.788 2.861 19.524 1.00 0.00 H new ATOM 0 HA ALA A -2 42.448 4.173 17.520 1.00 0.00 H new ATOM 0 HB1 ALA A -2 42.744 5.746 19.445 1.00 0.00 H new ATOM 0 HB2 ALA A -2 41.038 5.259 19.312 1.00 0.00 H new ATOM 0 HB3 ALA A -2 42.080 4.520 20.551 1.00 0.00 H new ATOM 20 N MET A -1 43.967 2.404 19.812 1.00 0.00 N ATOM 21 CA MET A -1 45.308 1.847 20.167 1.00 0.00 C ATOM 22 C MET A -1 45.482 0.456 19.553 1.00 0.00 C ATOM 23 O MET A -1 44.784 -0.477 19.906 1.00 0.00 O ATOM 24 CB MET A -1 45.309 1.766 21.694 1.00 0.00 C ATOM 25 CG MET A -1 46.716 1.419 22.189 1.00 0.00 C ATOM 26 SD MET A -1 46.687 1.197 23.984 1.00 0.00 S ATOM 27 CE MET A -1 45.882 -0.424 24.001 1.00 0.00 C ATOM 0 H MET A -1 43.190 2.040 20.363 1.00 0.00 H new ATOM 0 HA MET A -1 46.125 2.462 19.791 1.00 0.00 H new ATOM 0 HB2 MET A -1 44.987 2.717 22.119 1.00 0.00 H new ATOM 0 HB3 MET A -1 44.598 1.010 22.029 1.00 0.00 H new ATOM 0 HG2 MET A -1 47.069 0.508 21.705 1.00 0.00 H new ATOM 0 HG3 MET A -1 47.413 2.213 21.921 1.00 0.00 H new ATOM 0 HE1 MET A -1 46.488 -1.125 24.574 1.00 0.00 H new ATOM 0 HE2 MET A -1 44.897 -0.336 24.460 1.00 0.00 H new ATOM 0 HE3 MET A -1 45.775 -0.788 22.979 1.00 0.00 H new ATOM 37 N ALA A 0 46.409 0.313 18.635 1.00 0.00 N ATOM 38 CA ALA A 0 46.646 -1.017 17.995 1.00 0.00 C ATOM 39 C ALA A 0 47.980 -1.602 18.469 1.00 0.00 C ATOM 40 O ALA A 0 48.964 -0.895 18.597 1.00 0.00 O ATOM 41 CB ALA A 0 46.688 -0.731 16.494 1.00 0.00 C ATOM 0 H ALA A 0 47.013 1.064 18.302 1.00 0.00 H new ATOM 0 HA ALA A 0 45.874 -1.743 18.250 1.00 0.00 H new ATOM 0 HB1 ALA A 0 46.859 -1.661 15.951 1.00 0.00 H new ATOM 0 HB2 ALA A 0 45.739 -0.297 16.180 1.00 0.00 H new ATOM 0 HB3 ALA A 0 47.496 -0.032 16.279 1.00 0.00 H new ATOM 47 N MET A 1 48.015 -2.886 18.730 1.00 0.00 N ATOM 48 CA MET A 1 49.284 -3.533 19.189 1.00 0.00 C ATOM 49 C MET A 1 49.833 -4.468 18.105 1.00 0.00 C ATOM 50 O MET A 1 50.498 -5.445 18.400 1.00 0.00 O ATOM 51 CB MET A 1 48.893 -4.331 20.434 1.00 0.00 C ATOM 52 CG MET A 1 48.502 -3.368 21.558 1.00 0.00 C ATOM 53 SD MET A 1 48.195 -4.304 23.077 1.00 0.00 S ATOM 54 CE MET A 1 46.796 -5.277 22.467 1.00 0.00 C ATOM 0 H MET A 1 47.217 -3.516 18.645 1.00 0.00 H new ATOM 0 HA MET A 1 50.064 -2.801 19.398 1.00 0.00 H new ATOM 0 HB2 MET A 1 48.061 -4.997 20.205 1.00 0.00 H new ATOM 0 HB3 MET A 1 49.725 -4.959 20.752 1.00 0.00 H new ATOM 0 HG2 MET A 1 49.297 -2.641 21.721 1.00 0.00 H new ATOM 0 HG3 MET A 1 47.610 -2.808 21.277 1.00 0.00 H new ATOM 0 HE1 MET A 1 46.145 -5.540 23.301 1.00 0.00 H new ATOM 0 HE2 MET A 1 46.235 -4.691 21.739 1.00 0.00 H new ATOM 0 HE3 MET A 1 47.165 -6.187 21.993 1.00 0.00 H new ATOM 64 N SER A 2 49.559 -4.177 16.854 1.00 0.00 N ATOM 65 CA SER A 2 50.048 -5.054 15.746 1.00 0.00 C ATOM 66 C SER A 2 51.219 -4.391 15.011 1.00 0.00 C ATOM 67 O SER A 2 51.420 -4.611 13.831 1.00 0.00 O ATOM 68 CB SER A 2 48.851 -5.211 14.811 1.00 0.00 C ATOM 69 OG SER A 2 47.843 -5.972 15.464 1.00 0.00 O ATOM 0 H SER A 2 49.016 -3.367 16.554 1.00 0.00 H new ATOM 0 HA SER A 2 50.412 -6.014 16.113 1.00 0.00 H new ATOM 0 HB2 SER A 2 48.461 -4.232 14.533 1.00 0.00 H new ATOM 0 HB3 SER A 2 49.157 -5.706 13.889 1.00 0.00 H new ATOM 0 HG SER A 2 47.072 -6.074 14.868 1.00 0.00 H new ATOM 75 N GLY A 3 51.989 -3.582 15.700 1.00 0.00 N ATOM 76 CA GLY A 3 53.141 -2.893 15.044 1.00 0.00 C ATOM 77 C GLY A 3 54.314 -2.810 16.024 1.00 0.00 C ATOM 78 O GLY A 3 54.155 -3.029 17.211 1.00 0.00 O ATOM 0 H GLY A 3 51.867 -3.370 16.690 1.00 0.00 H new ATOM 0 HA2 GLY A 3 53.440 -3.436 14.148 1.00 0.00 H new ATOM 0 HA3 GLY A 3 52.847 -1.892 14.727 1.00 0.00 H new ATOM 82 N GLY A 4 55.487 -2.497 15.532 1.00 0.00 N ATOM 83 CA GLY A 4 56.681 -2.387 16.423 1.00 0.00 C ATOM 84 C GLY A 4 57.710 -1.452 15.785 1.00 0.00 C ATOM 85 O GLY A 4 57.486 -0.909 14.719 1.00 0.00 O ATOM 0 H GLY A 4 55.669 -2.312 14.546 1.00 0.00 H new ATOM 0 HA2 GLY A 4 56.385 -2.006 17.400 1.00 0.00 H new ATOM 0 HA3 GLY A 4 57.120 -3.372 16.584 1.00 0.00 H new ATOM 89 N LEU A 5 58.836 -1.264 16.431 1.00 0.00 N ATOM 90 CA LEU A 5 59.893 -0.369 15.864 1.00 0.00 C ATOM 91 C LEU A 5 60.693 -1.116 14.783 1.00 0.00 C ATOM 92 O LEU A 5 60.816 -2.324 14.845 1.00 0.00 O ATOM 93 CB LEU A 5 60.797 -0.008 17.045 1.00 0.00 C ATOM 94 CG LEU A 5 60.028 0.883 18.022 1.00 0.00 C ATOM 95 CD1 LEU A 5 60.705 0.838 19.394 1.00 0.00 C ATOM 96 CD2 LEU A 5 60.025 2.322 17.504 1.00 0.00 C ATOM 0 H LEU A 5 59.068 -1.692 17.327 1.00 0.00 H new ATOM 0 HA LEU A 5 59.469 0.519 15.395 1.00 0.00 H new ATOM 0 HB2 LEU A 5 61.133 -0.914 17.550 1.00 0.00 H new ATOM 0 HB3 LEU A 5 61.689 0.509 16.690 1.00 0.00 H new ATOM 0 HG LEU A 5 59.002 0.525 18.110 1.00 0.00 H new ATOM 0 HD11 LEU A 5 60.158 1.473 20.091 1.00 0.00 H new ATOM 0 HD12 LEU A 5 60.710 -0.187 19.764 1.00 0.00 H new ATOM 0 HD13 LEU A 5 61.731 1.196 19.306 1.00 0.00 H new ATOM 0 HD21 LEU A 5 59.477 2.958 18.199 1.00 0.00 H new ATOM 0 HD22 LEU A 5 61.051 2.679 17.417 1.00 0.00 H new ATOM 0 HD23 LEU A 5 59.545 2.356 16.526 1.00 0.00 H new ATOM 108 N PRO A 6 61.216 -0.376 13.820 1.00 0.00 N ATOM 109 CA PRO A 6 62.003 -1.007 12.727 1.00 0.00 C ATOM 110 C PRO A 6 63.325 -1.558 13.272 1.00 0.00 C ATOM 111 O PRO A 6 64.010 -0.902 14.037 1.00 0.00 O ATOM 112 CB PRO A 6 62.253 0.135 11.742 1.00 0.00 C ATOM 113 CG PRO A 6 62.091 1.389 12.541 1.00 0.00 C ATOM 114 CD PRO A 6 61.128 1.085 13.657 1.00 0.00 C ATOM 0 HA PRO A 6 61.488 -1.849 12.264 1.00 0.00 H new ATOM 0 HB2 PRO A 6 63.252 0.070 11.310 1.00 0.00 H new ATOM 0 HB3 PRO A 6 61.545 0.102 10.914 1.00 0.00 H new ATOM 0 HG2 PRO A 6 63.051 1.718 12.940 1.00 0.00 H new ATOM 0 HG3 PRO A 6 61.712 2.197 11.916 1.00 0.00 H new ATOM 0 HD2 PRO A 6 61.404 1.606 14.574 1.00 0.00 H new ATOM 0 HD3 PRO A 6 60.115 1.398 13.405 1.00 0.00 H new ATOM 122 N GLU A 7 63.686 -2.759 12.883 1.00 0.00 N ATOM 123 CA GLU A 7 64.976 -3.357 13.363 1.00 0.00 C ATOM 124 C GLU A 7 66.168 -2.551 12.838 1.00 0.00 C ATOM 125 O GLU A 7 66.423 -2.510 11.648 1.00 0.00 O ATOM 126 CB GLU A 7 65.003 -4.778 12.789 1.00 0.00 C ATOM 127 CG GLU A 7 64.140 -5.700 13.656 1.00 0.00 C ATOM 128 CD GLU A 7 62.673 -5.587 13.231 1.00 0.00 C ATOM 129 OE1 GLU A 7 62.422 -5.515 12.039 1.00 0.00 O ATOM 130 OE2 GLU A 7 61.824 -5.576 14.108 1.00 0.00 O ATOM 0 H GLU A 7 63.144 -3.351 12.254 1.00 0.00 H new ATOM 0 HA GLU A 7 65.043 -3.355 14.451 1.00 0.00 H new ATOM 0 HB2 GLU A 7 64.632 -4.774 11.764 1.00 0.00 H new ATOM 0 HB3 GLU A 7 66.028 -5.148 12.756 1.00 0.00 H new ATOM 0 HG2 GLU A 7 64.479 -6.731 13.556 1.00 0.00 H new ATOM 0 HG3 GLU A 7 64.246 -5.430 14.707 1.00 0.00 H new ATOM 137 N LEU A 8 66.898 -1.911 13.721 1.00 0.00 N ATOM 138 CA LEU A 8 68.082 -1.097 13.284 1.00 0.00 C ATOM 139 C LEU A 8 69.160 -1.996 12.671 1.00 0.00 C ATOM 140 O LEU A 8 69.363 -3.117 13.102 1.00 0.00 O ATOM 141 CB LEU A 8 68.614 -0.439 14.563 1.00 0.00 C ATOM 142 CG LEU A 8 67.571 0.535 15.119 1.00 0.00 C ATOM 143 CD1 LEU A 8 67.987 0.982 16.521 1.00 0.00 C ATOM 144 CD2 LEU A 8 67.476 1.760 14.204 1.00 0.00 C ATOM 0 H LEU A 8 66.726 -1.916 14.726 1.00 0.00 H new ATOM 0 HA LEU A 8 67.807 -0.364 12.525 1.00 0.00 H new ATOM 0 HB2 LEU A 8 68.845 -1.202 15.306 1.00 0.00 H new ATOM 0 HB3 LEU A 8 69.543 0.091 14.351 1.00 0.00 H new ATOM 0 HG LEU A 8 66.602 0.039 15.166 1.00 0.00 H new ATOM 0 HD11 LEU A 8 67.245 1.675 16.917 1.00 0.00 H new ATOM 0 HD12 LEU A 8 68.056 0.112 17.175 1.00 0.00 H new ATOM 0 HD13 LEU A 8 68.957 1.477 16.472 1.00 0.00 H new ATOM 0 HD21 LEU A 8 66.734 2.453 14.600 1.00 0.00 H new ATOM 0 HD22 LEU A 8 68.446 2.255 14.157 1.00 0.00 H new ATOM 0 HD23 LEU A 8 67.181 1.445 13.203 1.00 0.00 H new ATOM 156 N GLY A 9 69.850 -1.509 11.667 1.00 0.00 N ATOM 157 CA GLY A 9 70.955 -2.304 11.046 1.00 0.00 C ATOM 158 C GLY A 9 70.421 -3.330 10.033 1.00 0.00 C ATOM 159 O GLY A 9 71.190 -4.038 9.409 1.00 0.00 O ATOM 0 H GLY A 9 69.694 -0.591 11.250 1.00 0.00 H new ATOM 0 HA2 GLY A 9 71.652 -1.630 10.548 1.00 0.00 H new ATOM 0 HA3 GLY A 9 71.514 -2.821 11.826 1.00 0.00 H new ATOM 163 N SER A 10 69.117 -3.423 9.860 1.00 0.00 N ATOM 164 CA SER A 10 68.552 -4.407 8.875 1.00 0.00 C ATOM 165 C SER A 10 69.025 -4.076 7.455 1.00 0.00 C ATOM 166 O SER A 10 69.145 -2.921 7.091 1.00 0.00 O ATOM 167 CB SER A 10 67.033 -4.252 8.975 1.00 0.00 C ATOM 168 OG SER A 10 66.602 -4.672 10.263 1.00 0.00 O ATOM 0 H SER A 10 68.424 -2.862 10.356 1.00 0.00 H new ATOM 0 HA SER A 10 68.875 -5.426 9.090 1.00 0.00 H new ATOM 0 HB2 SER A 10 66.750 -3.213 8.805 1.00 0.00 H new ATOM 0 HB3 SER A 10 66.544 -4.846 8.203 1.00 0.00 H new ATOM 0 HG SER A 10 66.857 -3.999 10.929 1.00 0.00 H new ATOM 174 N LYS A 11 69.296 -5.081 6.658 1.00 0.00 N ATOM 175 CA LYS A 11 69.726 -4.830 5.246 1.00 0.00 C ATOM 176 C LYS A 11 68.503 -4.577 4.351 1.00 0.00 C ATOM 177 O LYS A 11 67.572 -5.364 4.319 1.00 0.00 O ATOM 178 CB LYS A 11 70.494 -6.095 4.813 1.00 0.00 C ATOM 179 CG LYS A 11 69.559 -7.313 4.740 1.00 0.00 C ATOM 180 CD LYS A 11 70.391 -8.578 4.523 1.00 0.00 C ATOM 181 CE LYS A 11 69.475 -9.725 4.093 1.00 0.00 C ATOM 182 NZ LYS A 11 68.678 -10.058 5.307 1.00 0.00 N ATOM 0 H LYS A 11 69.238 -6.064 6.924 1.00 0.00 H new ATOM 0 HA LYS A 11 70.355 -3.944 5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 11 70.956 -5.928 3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 11 71.301 -6.294 5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 11 68.981 -7.398 5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 11 68.845 -7.189 3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 11 71.150 -8.400 3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 11 70.916 -8.843 5.441 1.00 0.00 H new ATOM 0 HE2 LYS A 11 68.830 -9.426 3.267 1.00 0.00 H new ATOM 0 HE3 LYS A 11 70.052 -10.584 3.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 68.232 -10.989 5.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 69.303 -10.080 6.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 67.942 -9.337 5.447 1.00 0.00 H new ATOM 196 N ILE A 12 68.502 -3.482 3.629 1.00 0.00 N ATOM 197 CA ILE A 12 67.342 -3.164 2.737 1.00 0.00 C ATOM 198 C ILE A 12 67.824 -2.963 1.295 1.00 0.00 C ATOM 199 O ILE A 12 68.904 -2.449 1.056 1.00 0.00 O ATOM 200 CB ILE A 12 66.734 -1.868 3.303 1.00 0.00 C ATOM 201 CG1 ILE A 12 66.260 -2.110 4.743 1.00 0.00 C ATOM 202 CG2 ILE A 12 65.536 -1.439 2.446 1.00 0.00 C ATOM 203 CD1 ILE A 12 65.872 -0.779 5.390 1.00 0.00 C ATOM 0 H ILE A 12 69.255 -2.794 3.619 1.00 0.00 H new ATOM 0 HA ILE A 12 66.608 -3.969 2.713 1.00 0.00 H new ATOM 0 HB ILE A 12 67.491 -1.084 3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 12 65.407 -2.789 4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 12 67.051 -2.589 5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 12 65.109 -0.521 2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 12 65.865 -1.265 1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 12 64.781 -2.225 2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 12 65.536 -0.955 6.412 1.00 0.00 H new ATOM 0 HD12 ILE A 12 66.736 -0.115 5.402 1.00 0.00 H new ATOM 0 HD13 ILE A 12 65.067 -0.317 4.818 1.00 0.00 H new ATOM 215 N SER A 13 67.019 -3.370 0.342 1.00 0.00 N ATOM 216 CA SER A 13 67.351 -3.145 -1.096 1.00 0.00 C ATOM 217 C SER A 13 66.513 -1.985 -1.640 1.00 0.00 C ATOM 218 O SER A 13 65.333 -1.882 -1.363 1.00 0.00 O ATOM 219 CB SER A 13 66.985 -4.452 -1.799 1.00 0.00 C ATOM 220 OG SER A 13 67.375 -4.376 -3.163 1.00 0.00 O ATOM 0 H SER A 13 66.136 -3.854 0.504 1.00 0.00 H new ATOM 0 HA SER A 13 68.399 -2.887 -1.250 1.00 0.00 H new ATOM 0 HB2 SER A 13 67.482 -5.291 -1.313 1.00 0.00 H new ATOM 0 HB3 SER A 13 65.912 -4.630 -1.725 1.00 0.00 H new ATOM 0 HG SER A 13 67.143 -5.213 -3.617 1.00 0.00 H new ATOM 226 N LEU A 14 67.119 -1.116 -2.409 1.00 0.00 N ATOM 227 CA LEU A 14 66.446 0.161 -2.794 1.00 0.00 C ATOM 228 C LEU A 14 66.597 0.408 -4.301 1.00 0.00 C ATOM 229 O LEU A 14 67.694 0.457 -4.818 1.00 0.00 O ATOM 230 CB LEU A 14 67.196 1.226 -1.990 1.00 0.00 C ATOM 231 CG LEU A 14 66.371 2.511 -1.906 1.00 0.00 C ATOM 232 CD1 LEU A 14 65.140 2.278 -1.027 1.00 0.00 C ATOM 233 CD2 LEU A 14 67.232 3.617 -1.290 1.00 0.00 C ATOM 0 H LEU A 14 68.058 -1.238 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 14 65.375 0.159 -2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 14 67.404 0.854 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 14 68.158 1.434 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 14 66.049 2.804 -2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.555 3.196 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 14 64.530 1.485 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 14 65.458 1.987 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 14 66.651 4.537 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 14 67.548 3.318 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 14 68.110 3.784 -1.914 1.00 0.00 H new ATOM 245 N ILE A 15 65.499 0.563 -5.007 1.00 0.00 N ATOM 246 CA ILE A 15 65.572 0.781 -6.489 1.00 0.00 C ATOM 247 C ILE A 15 65.254 2.248 -6.813 1.00 0.00 C ATOM 248 O ILE A 15 64.155 2.722 -6.559 1.00 0.00 O ATOM 249 CB ILE A 15 64.508 -0.153 -7.094 1.00 0.00 C ATOM 250 CG1 ILE A 15 64.814 -1.609 -6.713 1.00 0.00 C ATOM 251 CG2 ILE A 15 64.516 -0.027 -8.623 1.00 0.00 C ATOM 252 CD1 ILE A 15 63.615 -2.494 -7.062 1.00 0.00 C ATOM 0 H ILE A 15 64.555 0.548 -4.620 1.00 0.00 H new ATOM 0 HA ILE A 15 66.563 0.568 -6.891 1.00 0.00 H new ATOM 0 HB ILE A 15 63.530 0.130 -6.706 1.00 0.00 H new ATOM 0 HG12 ILE A 15 65.701 -1.955 -7.243 1.00 0.00 H new ATOM 0 HG13 ILE A 15 65.032 -1.678 -5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 15 63.761 -0.690 -9.047 1.00 0.00 H new ATOM 0 HG22 ILE A 15 64.294 1.002 -8.904 1.00 0.00 H new ATOM 0 HG23 ILE A 15 65.498 -0.304 -9.006 1.00 0.00 H new ATOM 0 HD11 ILE A 15 63.834 -3.527 -6.791 1.00 0.00 H new ATOM 0 HD12 ILE A 15 62.738 -2.152 -6.512 1.00 0.00 H new ATOM 0 HD13 ILE A 15 63.418 -2.434 -8.132 1.00 0.00 H new ATOM 264 N SER A 16 66.211 2.958 -7.370 1.00 0.00 N ATOM 265 CA SER A 16 66.018 4.414 -7.664 1.00 0.00 C ATOM 266 C SER A 16 65.502 4.629 -9.095 1.00 0.00 C ATOM 267 O SER A 16 65.690 3.791 -9.963 1.00 0.00 O ATOM 268 CB SER A 16 67.409 5.029 -7.513 1.00 0.00 C ATOM 269 OG SER A 16 67.866 4.834 -6.180 1.00 0.00 O ATOM 0 H SER A 16 67.123 2.586 -7.635 1.00 0.00 H new ATOM 0 HA SER A 16 65.282 4.864 -6.998 1.00 0.00 H new ATOM 0 HB2 SER A 16 68.101 4.569 -8.218 1.00 0.00 H new ATOM 0 HB3 SER A 16 67.376 6.093 -7.747 1.00 0.00 H new ATOM 0 HG SER A 16 68.755 4.421 -6.196 1.00 0.00 H new ATOM 275 N LYS A 17 64.873 5.763 -9.337 1.00 0.00 N ATOM 276 CA LYS A 17 64.160 6.013 -10.643 1.00 0.00 C ATOM 277 C LYS A 17 65.066 5.810 -11.873 1.00 0.00 C ATOM 278 O LYS A 17 64.584 5.766 -12.990 1.00 0.00 O ATOM 279 CB LYS A 17 63.687 7.476 -10.572 1.00 0.00 C ATOM 280 CG LYS A 17 64.885 8.427 -10.435 1.00 0.00 C ATOM 281 CD LYS A 17 64.382 9.858 -10.239 1.00 0.00 C ATOM 282 CE LYS A 17 65.551 10.835 -10.381 1.00 0.00 C ATOM 283 NZ LYS A 17 64.916 12.157 -10.640 1.00 0.00 N ATOM 0 H LYS A 17 64.822 6.538 -8.675 1.00 0.00 H new ATOM 0 HA LYS A 17 63.342 5.304 -10.766 1.00 0.00 H new ATOM 0 HB2 LYS A 17 63.120 7.724 -11.469 1.00 0.00 H new ATOM 0 HB3 LYS A 17 63.015 7.605 -9.724 1.00 0.00 H new ATOM 0 HG2 LYS A 17 65.504 8.129 -9.589 1.00 0.00 H new ATOM 0 HG3 LYS A 17 65.512 8.369 -11.325 1.00 0.00 H new ATOM 0 HD2 LYS A 17 63.611 10.088 -10.975 1.00 0.00 H new ATOM 0 HD3 LYS A 17 63.925 9.962 -9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 17 66.158 10.859 -9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 17 66.210 10.546 -11.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 65.654 12.881 -10.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 64.350 12.106 -11.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 64.300 12.409 -9.841 1.00 0.00 H new ATOM 297 N ALA A 18 66.359 5.688 -11.688 1.00 0.00 N ATOM 298 CA ALA A 18 67.272 5.476 -12.852 1.00 0.00 C ATOM 299 C ALA A 18 67.450 3.976 -13.128 1.00 0.00 C ATOM 300 O ALA A 18 68.402 3.571 -13.768 1.00 0.00 O ATOM 301 CB ALA A 18 68.604 6.102 -12.430 1.00 0.00 C ATOM 0 H ALA A 18 66.820 5.726 -10.779 1.00 0.00 H new ATOM 0 HA ALA A 18 66.880 5.921 -13.766 1.00 0.00 H new ATOM 0 HB1 ALA A 18 69.331 5.987 -13.234 1.00 0.00 H new ATOM 0 HB2 ALA A 18 68.458 7.162 -12.221 1.00 0.00 H new ATOM 0 HB3 ALA A 18 68.973 5.603 -11.534 1.00 0.00 H new ATOM 307 N ASP A 19 66.539 3.149 -12.647 1.00 0.00 N ATOM 308 CA ASP A 19 66.697 1.659 -12.758 1.00 0.00 C ATOM 309 C ASP A 19 68.040 1.232 -12.157 1.00 0.00 C ATOM 310 O ASP A 19 68.667 0.294 -12.612 1.00 0.00 O ATOM 311 CB ASP A 19 66.633 1.322 -14.256 1.00 0.00 C ATOM 312 CG ASP A 19 65.264 1.717 -14.818 1.00 0.00 C ATOM 313 OD1 ASP A 19 64.275 1.480 -14.143 1.00 0.00 O ATOM 314 OD2 ASP A 19 65.229 2.252 -15.914 1.00 0.00 O ATOM 0 H ASP A 19 65.685 3.450 -12.178 1.00 0.00 H new ATOM 0 HA ASP A 19 65.915 1.130 -12.213 1.00 0.00 H new ATOM 0 HB2 ASP A 19 67.422 1.850 -14.791 1.00 0.00 H new ATOM 0 HB3 ASP A 19 66.804 0.256 -14.406 1.00 0.00 H new ATOM 319 N ILE A 20 68.474 1.927 -11.133 1.00 0.00 N ATOM 320 CA ILE A 20 69.758 1.561 -10.460 1.00 0.00 C ATOM 321 C ILE A 20 69.448 0.824 -9.159 1.00 0.00 C ATOM 322 O ILE A 20 68.523 1.175 -8.451 1.00 0.00 O ATOM 323 CB ILE A 20 70.477 2.887 -10.161 1.00 0.00 C ATOM 324 CG1 ILE A 20 70.645 3.702 -11.452 1.00 0.00 C ATOM 325 CG2 ILE A 20 71.861 2.589 -9.568 1.00 0.00 C ATOM 326 CD1 ILE A 20 71.227 5.082 -11.125 1.00 0.00 C ATOM 0 H ILE A 20 67.993 2.733 -10.734 1.00 0.00 H new ATOM 0 HA ILE A 20 70.376 0.912 -11.080 1.00 0.00 H new ATOM 0 HB ILE A 20 69.882 3.462 -9.451 1.00 0.00 H new ATOM 0 HG12 ILE A 20 71.303 3.174 -12.143 1.00 0.00 H new ATOM 0 HG13 ILE A 20 69.682 3.812 -11.951 1.00 0.00 H new ATOM 0 HG21 ILE A 20 72.375 3.526 -9.354 1.00 0.00 H new ATOM 0 HG22 ILE A 20 71.747 2.019 -8.646 1.00 0.00 H new ATOM 0 HG23 ILE A 20 72.446 2.009 -10.282 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.344 5.655 -12.045 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.553 5.611 -10.451 1.00 0.00 H new ATOM 0 HD13 ILE A 20 72.199 4.963 -10.646 1.00 0.00 H new ATOM 338 N ARG A 21 70.213 -0.188 -8.838 1.00 0.00 N ATOM 339 CA ARG A 21 69.958 -0.945 -7.580 1.00 0.00 C ATOM 340 C ARG A 21 71.002 -0.571 -6.525 1.00 0.00 C ATOM 341 O ARG A 21 72.189 -0.757 -6.718 1.00 0.00 O ATOM 342 CB ARG A 21 70.086 -2.419 -7.968 1.00 0.00 C ATOM 343 CG ARG A 21 69.622 -3.297 -6.804 1.00 0.00 C ATOM 344 CD ARG A 21 69.834 -4.773 -7.158 1.00 0.00 C ATOM 345 NE ARG A 21 68.891 -5.053 -8.289 1.00 0.00 N ATOM 346 CZ ARG A 21 69.036 -6.113 -9.061 1.00 0.00 C ATOM 347 NH1 ARG A 21 70.007 -6.979 -8.869 1.00 0.00 N ATOM 348 NH2 ARG A 21 68.192 -6.311 -10.036 1.00 0.00 N ATOM 0 H ARG A 21 71.001 -0.521 -9.393 1.00 0.00 H new ATOM 0 HA ARG A 21 68.980 -0.724 -7.153 1.00 0.00 H new ATOM 0 HB2 ARG A 21 69.486 -2.626 -8.854 1.00 0.00 H new ATOM 0 HB3 ARG A 21 71.120 -2.650 -8.222 1.00 0.00 H new ATOM 0 HG2 ARG A 21 70.178 -3.045 -5.901 1.00 0.00 H new ATOM 0 HG3 ARG A 21 68.569 -3.111 -6.592 1.00 0.00 H new ATOM 0 HD2 ARG A 21 70.866 -4.962 -7.452 1.00 0.00 H new ATOM 0 HD3 ARG A 21 69.623 -5.416 -6.303 1.00 0.00 H new ATOM 0 HE ARG A 21 68.120 -4.409 -8.466 1.00 0.00 H new ATOM 0 HH11 ARG A 21 70.672 -6.840 -8.108 1.00 0.00 H new ATOM 0 HH12 ARG A 21 70.096 -7.790 -9.481 1.00 0.00 H new ATOM 0 HH21 ARG A 21 67.431 -5.650 -10.194 1.00 0.00 H new ATOM 0 HH22 ARG A 21 68.293 -7.127 -10.640 1.00 0.00 H new ATOM 362 N TYR A 22 70.555 -0.043 -5.413 1.00 0.00 N ATOM 363 CA TYR A 22 71.475 0.242 -4.274 1.00 0.00 C ATOM 364 C TYR A 22 71.104 -0.656 -3.095 1.00 0.00 C ATOM 365 O TYR A 22 69.956 -1.014 -2.926 1.00 0.00 O ATOM 366 CB TYR A 22 71.227 1.706 -3.912 1.00 0.00 C ATOM 367 CG TYR A 22 71.649 2.693 -4.977 1.00 0.00 C ATOM 368 CD1 TYR A 22 72.964 3.218 -4.969 1.00 0.00 C ATOM 369 CD2 TYR A 22 70.729 3.102 -5.977 1.00 0.00 C ATOM 370 CE1 TYR A 22 73.362 4.150 -5.958 1.00 0.00 C ATOM 371 CE2 TYR A 22 71.129 4.035 -6.969 1.00 0.00 C ATOM 372 CZ TYR A 22 72.445 4.558 -6.958 1.00 0.00 C ATOM 373 OH TYR A 22 72.835 5.467 -7.920 1.00 0.00 O ATOM 0 H TYR A 22 69.580 0.205 -5.246 1.00 0.00 H new ATOM 0 HA TYR A 22 72.520 0.059 -4.524 1.00 0.00 H new ATOM 0 HB2 TYR A 22 70.165 1.842 -3.708 1.00 0.00 H new ATOM 0 HB3 TYR A 22 71.761 1.935 -2.990 1.00 0.00 H new ATOM 0 HD1 TYR A 22 73.664 2.907 -4.208 1.00 0.00 H new ATOM 0 HD2 TYR A 22 69.725 2.704 -5.983 1.00 0.00 H new ATOM 0 HE1 TYR A 22 74.365 4.550 -5.950 1.00 0.00 H new ATOM 0 HE2 TYR A 22 70.430 4.346 -7.732 1.00 0.00 H new ATOM 0 HH TYR A 22 72.088 5.638 -8.530 1.00 0.00 H new ATOM 383 N GLU A 23 72.061 -1.021 -2.284 1.00 0.00 N ATOM 384 CA GLU A 23 71.739 -1.809 -1.054 1.00 0.00 C ATOM 385 C GLU A 23 72.599 -1.319 0.105 1.00 0.00 C ATOM 386 O GLU A 23 73.765 -1.027 -0.071 1.00 0.00 O ATOM 387 CB GLU A 23 72.089 -3.255 -1.411 1.00 0.00 C ATOM 388 CG GLU A 23 71.615 -4.189 -0.294 1.00 0.00 C ATOM 389 CD GLU A 23 72.081 -5.618 -0.586 1.00 0.00 C ATOM 390 OE1 GLU A 23 73.221 -5.778 -0.991 1.00 0.00 O ATOM 391 OE2 GLU A 23 71.290 -6.527 -0.400 1.00 0.00 O ATOM 0 H GLU A 23 73.050 -0.809 -2.418 1.00 0.00 H new ATOM 0 HA GLU A 23 70.697 -1.709 -0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 23 71.618 -3.531 -2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 23 73.165 -3.355 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 23 72.011 -3.856 0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 23 70.528 -4.159 -0.218 1.00 0.00 H new ATOM 398 N GLY A 24 72.039 -1.233 1.287 1.00 0.00 N ATOM 399 CA GLY A 24 72.818 -0.670 2.433 1.00 0.00 C ATOM 400 C GLY A 24 72.104 -0.946 3.757 1.00 0.00 C ATOM 401 O GLY A 24 70.988 -1.432 3.783 1.00 0.00 O ATOM 0 H GLY A 24 71.087 -1.525 1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 24 73.815 -1.110 2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 24 72.946 0.404 2.300 1.00 0.00 H new ATOM 405 N ARG A 25 72.753 -0.636 4.856 1.00 0.00 N ATOM 406 CA ARG A 25 72.125 -0.852 6.199 1.00 0.00 C ATOM 407 C ARG A 25 71.253 0.348 6.583 1.00 0.00 C ATOM 408 O ARG A 25 71.647 1.488 6.414 1.00 0.00 O ATOM 409 CB ARG A 25 73.300 -0.984 7.172 1.00 0.00 C ATOM 410 CG ARG A 25 74.075 -2.268 6.868 1.00 0.00 C ATOM 411 CD ARG A 25 75.191 -2.449 7.903 1.00 0.00 C ATOM 412 NE ARG A 25 76.015 -3.597 7.402 1.00 0.00 N ATOM 413 CZ ARG A 25 76.855 -4.237 8.194 1.00 0.00 C ATOM 414 NH1 ARG A 25 77.014 -3.896 9.452 1.00 0.00 N ATOM 415 NH2 ARG A 25 77.549 -5.232 7.712 1.00 0.00 N ATOM 0 H ARG A 25 73.693 -0.242 4.880 1.00 0.00 H new ATOM 0 HA ARG A 25 71.480 -1.731 6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 25 73.958 -0.120 7.083 1.00 0.00 H new ATOM 0 HB3 ARG A 25 72.935 -1.002 8.199 1.00 0.00 H new ATOM 0 HG2 ARG A 25 73.402 -3.125 6.889 1.00 0.00 H new ATOM 0 HG3 ARG A 25 74.499 -2.221 5.865 1.00 0.00 H new ATOM 0 HD2 ARG A 25 75.792 -1.544 7.995 1.00 0.00 H new ATOM 0 HD3 ARG A 25 74.781 -2.661 8.890 1.00 0.00 H new ATOM 0 HE ARG A 25 75.925 -3.890 6.429 1.00 0.00 H new ATOM 0 HH11 ARG A 25 76.481 -3.118 9.841 1.00 0.00 H new ATOM 0 HH12 ARG A 25 77.671 -4.409 10.040 1.00 0.00 H new ATOM 0 HH21 ARG A 25 77.438 -5.505 6.736 1.00 0.00 H new ATOM 0 HH22 ARG A 25 78.202 -5.736 8.312 1.00 0.00 H new ATOM 429 N LEU A 26 70.072 0.098 7.096 1.00 0.00 N ATOM 430 CA LEU A 26 69.200 1.221 7.575 1.00 0.00 C ATOM 431 C LEU A 26 69.831 1.917 8.786 1.00 0.00 C ATOM 432 O LEU A 26 70.075 1.300 9.807 1.00 0.00 O ATOM 433 CB LEU A 26 67.890 0.542 7.998 1.00 0.00 C ATOM 434 CG LEU A 26 66.841 1.605 8.340 1.00 0.00 C ATOM 435 CD1 LEU A 26 66.391 2.317 7.062 1.00 0.00 C ATOM 436 CD2 LEU A 26 65.634 0.933 8.999 1.00 0.00 C ATOM 0 H LEU A 26 69.673 -0.834 7.204 1.00 0.00 H new ATOM 0 HA LEU A 26 69.056 1.980 6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 26 67.525 -0.097 7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 26 68.065 -0.100 8.861 1.00 0.00 H new ATOM 0 HG LEU A 26 67.275 2.333 9.025 1.00 0.00 H new ATOM 0 HD11 LEU A 26 65.645 3.072 7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 26 67.249 2.796 6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 26 65.958 1.591 6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 26 64.886 1.687 9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 26 65.203 0.204 8.312 1.00 0.00 H new ATOM 0 HD23 LEU A 26 65.952 0.428 9.911 1.00 0.00 H new ATOM 448 N TYR A 27 70.093 3.198 8.676 1.00 0.00 N ATOM 449 CA TYR A 27 70.671 3.951 9.830 1.00 0.00 C ATOM 450 C TYR A 27 69.569 4.717 10.569 1.00 0.00 C ATOM 451 O TYR A 27 69.451 4.632 11.777 1.00 0.00 O ATOM 452 CB TYR A 27 71.677 4.920 9.208 1.00 0.00 C ATOM 453 CG TYR A 27 72.516 5.655 10.229 1.00 0.00 C ATOM 454 CD1 TYR A 27 73.189 4.933 11.248 1.00 0.00 C ATOM 455 CD2 TYR A 27 72.630 7.065 10.169 1.00 0.00 C ATOM 456 CE1 TYR A 27 73.973 5.622 12.204 1.00 0.00 C ATOM 457 CE2 TYR A 27 73.416 7.753 11.125 1.00 0.00 C ATOM 458 CZ TYR A 27 74.086 7.033 12.143 1.00 0.00 C ATOM 459 OH TYR A 27 74.851 7.704 13.075 1.00 0.00 O ATOM 0 H TYR A 27 69.931 3.753 7.836 1.00 0.00 H new ATOM 0 HA TYR A 27 71.140 3.291 10.560 1.00 0.00 H new ATOM 0 HB2 TYR A 27 72.336 4.367 8.538 1.00 0.00 H new ATOM 0 HB3 TYR A 27 71.140 5.647 8.599 1.00 0.00 H new ATOM 0 HD1 TYR A 27 73.103 3.857 11.294 1.00 0.00 H new ATOM 0 HD2 TYR A 27 72.117 7.616 9.394 1.00 0.00 H new ATOM 0 HE1 TYR A 27 74.485 5.072 12.980 1.00 0.00 H new ATOM 0 HE2 TYR A 27 73.504 8.828 11.077 1.00 0.00 H new ATOM 0 HH TYR A 27 74.823 8.666 12.890 1.00 0.00 H new ATOM 469 N THR A 28 68.763 5.460 9.847 1.00 0.00 N ATOM 470 CA THR A 28 67.672 6.254 10.500 1.00 0.00 C ATOM 471 C THR A 28 66.521 6.477 9.513 1.00 0.00 C ATOM 472 O THR A 28 66.708 6.431 8.312 1.00 0.00 O ATOM 473 CB THR A 28 68.315 7.591 10.883 1.00 0.00 C ATOM 474 OG1 THR A 28 69.060 8.091 9.782 1.00 0.00 O ATOM 475 CG2 THR A 28 69.243 7.394 12.083 1.00 0.00 C ATOM 0 H THR A 28 68.814 5.551 8.832 1.00 0.00 H new ATOM 0 HA THR A 28 67.257 5.743 11.369 1.00 0.00 H new ATOM 0 HB THR A 28 67.534 8.304 11.147 1.00 0.00 H new ATOM 0 HG1 THR A 28 69.470 8.947 10.026 1.00 0.00 H new ATOM 0 HG21 THR A 28 69.698 8.347 12.352 1.00 0.00 H new ATOM 0 HG22 THR A 28 68.669 7.015 12.928 1.00 0.00 H new ATOM 0 HG23 THR A 28 70.024 6.679 11.825 1.00 0.00 H new ATOM 483 N VAL A 29 65.335 6.722 10.016 1.00 0.00 N ATOM 484 CA VAL A 29 64.151 6.902 9.119 1.00 0.00 C ATOM 485 C VAL A 29 63.227 8.000 9.672 1.00 0.00 C ATOM 486 O VAL A 29 63.093 8.161 10.871 1.00 0.00 O ATOM 487 CB VAL A 29 63.455 5.528 9.092 1.00 0.00 C ATOM 488 CG1 VAL A 29 62.958 5.151 10.494 1.00 0.00 C ATOM 489 CG2 VAL A 29 62.267 5.566 8.123 1.00 0.00 C ATOM 0 H VAL A 29 65.136 6.805 11.013 1.00 0.00 H new ATOM 0 HA VAL A 29 64.430 7.220 8.114 1.00 0.00 H new ATOM 0 HB VAL A 29 64.175 4.781 8.759 1.00 0.00 H new ATOM 0 HG11 VAL A 29 62.469 4.178 10.457 1.00 0.00 H new ATOM 0 HG12 VAL A 29 63.804 5.106 11.180 1.00 0.00 H new ATOM 0 HG13 VAL A 29 62.248 5.901 10.842 1.00 0.00 H new ATOM 0 HG21 VAL A 29 61.779 4.592 8.108 1.00 0.00 H new ATOM 0 HG22 VAL A 29 61.555 6.324 8.450 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.622 5.809 7.122 1.00 0.00 H new ATOM 499 N ASP A 30 62.592 8.750 8.802 1.00 0.00 N ATOM 500 CA ASP A 30 61.626 9.794 9.256 1.00 0.00 C ATOM 501 C ASP A 30 60.290 9.614 8.516 1.00 0.00 C ATOM 502 O ASP A 30 60.177 10.010 7.371 1.00 0.00 O ATOM 503 CB ASP A 30 62.276 11.124 8.873 1.00 0.00 C ATOM 504 CG ASP A 30 61.678 12.247 9.723 1.00 0.00 C ATOM 505 OD1 ASP A 30 60.474 12.430 9.666 1.00 0.00 O ATOM 506 OD2 ASP A 30 62.436 12.906 10.416 1.00 0.00 O ATOM 0 H ASP A 30 62.704 8.681 7.791 1.00 0.00 H new ATOM 0 HA ASP A 30 61.416 9.739 10.324 1.00 0.00 H new ATOM 0 HB2 ASP A 30 63.354 11.072 9.026 1.00 0.00 H new ATOM 0 HB3 ASP A 30 62.114 11.329 7.815 1.00 0.00 H new ATOM 511 N PRO A 31 59.313 9.021 9.186 1.00 0.00 N ATOM 512 CA PRO A 31 58.024 8.692 8.514 1.00 0.00 C ATOM 513 C PRO A 31 57.320 9.965 8.032 1.00 0.00 C ATOM 514 O PRO A 31 56.783 10.011 6.941 1.00 0.00 O ATOM 515 CB PRO A 31 57.202 7.989 9.599 1.00 0.00 C ATOM 516 CG PRO A 31 57.858 8.346 10.894 1.00 0.00 C ATOM 517 CD PRO A 31 59.308 8.608 10.599 1.00 0.00 C ATOM 0 HA PRO A 31 58.161 8.071 7.629 1.00 0.00 H new ATOM 0 HB2 PRO A 31 56.164 8.321 9.581 1.00 0.00 H new ATOM 0 HB3 PRO A 31 57.195 6.910 9.448 1.00 0.00 H new ATOM 0 HG2 PRO A 31 57.389 9.227 11.333 1.00 0.00 H new ATOM 0 HG3 PRO A 31 57.752 7.536 11.615 1.00 0.00 H new ATOM 0 HD2 PRO A 31 59.712 9.388 11.245 1.00 0.00 H new ATOM 0 HD3 PRO A 31 59.915 7.717 10.757 1.00 0.00 H new ATOM 525 N GLN A 32 57.333 11.005 8.828 1.00 0.00 N ATOM 526 CA GLN A 32 56.510 12.212 8.499 1.00 0.00 C ATOM 527 C GLN A 32 57.232 13.078 7.461 1.00 0.00 C ATOM 528 O GLN A 32 56.606 13.829 6.734 1.00 0.00 O ATOM 529 CB GLN A 32 56.332 12.968 9.818 1.00 0.00 C ATOM 530 CG GLN A 32 55.490 12.129 10.782 1.00 0.00 C ATOM 531 CD GLN A 32 55.342 12.868 12.114 1.00 0.00 C ATOM 532 OE1 GLN A 32 56.256 13.534 12.558 1.00 0.00 O ATOM 533 NE2 GLN A 32 54.220 12.778 12.774 1.00 0.00 N ATOM 0 H GLN A 32 57.876 11.072 9.689 1.00 0.00 H new ATOM 0 HA GLN A 32 55.546 11.942 8.068 1.00 0.00 H new ATOM 0 HB2 GLN A 32 57.305 13.181 10.261 1.00 0.00 H new ATOM 0 HB3 GLN A 32 55.847 13.927 9.636 1.00 0.00 H new ATOM 0 HG2 GLN A 32 54.508 11.938 10.350 1.00 0.00 H new ATOM 0 HG3 GLN A 32 55.962 11.160 10.943 1.00 0.00 H new ATOM 0 HE21 GLN A 32 53.453 12.219 12.401 1.00 0.00 H new ATOM 0 HE22 GLN A 32 54.110 13.267 13.663 1.00 0.00 H new ATOM 542 N GLU A 33 58.537 12.982 7.385 1.00 0.00 N ATOM 543 CA GLU A 33 59.284 13.689 6.298 1.00 0.00 C ATOM 544 C GLU A 33 59.371 12.824 5.026 1.00 0.00 C ATOM 545 O GLU A 33 59.966 13.230 4.045 1.00 0.00 O ATOM 546 CB GLU A 33 60.682 13.939 6.868 1.00 0.00 C ATOM 547 CG GLU A 33 60.593 14.942 8.021 1.00 0.00 C ATOM 548 CD GLU A 33 61.999 15.259 8.540 1.00 0.00 C ATOM 549 OE1 GLU A 33 62.894 15.404 7.723 1.00 0.00 O ATOM 550 OE2 GLU A 33 62.155 15.354 9.746 1.00 0.00 O ATOM 0 H GLU A 33 59.117 12.444 8.029 1.00 0.00 H new ATOM 0 HA GLU A 33 58.784 14.613 6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 33 61.116 13.003 7.219 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.341 14.322 6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 33 60.105 15.856 7.683 1.00 0.00 H new ATOM 0 HG3 GLU A 33 59.982 14.533 8.825 1.00 0.00 H new ATOM 557 N CYS A 34 58.786 11.634 5.027 1.00 0.00 N ATOM 558 CA CYS A 34 58.897 10.710 3.842 1.00 0.00 C ATOM 559 C CYS A 34 60.360 10.550 3.394 1.00 0.00 C ATOM 560 O CYS A 34 60.651 10.479 2.213 1.00 0.00 O ATOM 561 CB CYS A 34 58.064 11.370 2.738 1.00 0.00 C ATOM 562 SG CYS A 34 56.305 11.074 3.049 1.00 0.00 S ATOM 0 H CYS A 34 58.236 11.266 5.803 1.00 0.00 H new ATOM 0 HA CYS A 34 58.541 9.708 4.082 1.00 0.00 H new ATOM 0 HB2 CYS A 34 58.264 12.441 2.708 1.00 0.00 H new ATOM 0 HB3 CYS A 34 58.345 10.966 1.765 1.00 0.00 H new ATOM 0 HG CYS A 34 55.598 11.636 2.114 1.00 0.00 H new ATOM 568 N THR A 35 61.278 10.492 4.331 1.00 0.00 N ATOM 569 CA THR A 35 62.727 10.466 3.961 1.00 0.00 C ATOM 570 C THR A 35 63.472 9.428 4.800 1.00 0.00 C ATOM 571 O THR A 35 63.072 9.108 5.901 1.00 0.00 O ATOM 572 CB THR A 35 63.240 11.876 4.269 1.00 0.00 C ATOM 573 OG1 THR A 35 62.829 12.252 5.575 1.00 0.00 O ATOM 574 CG2 THR A 35 62.681 12.875 3.248 1.00 0.00 C ATOM 0 H THR A 35 61.086 10.462 5.332 1.00 0.00 H new ATOM 0 HA THR A 35 62.880 10.195 2.916 1.00 0.00 H new ATOM 0 HB THR A 35 64.328 11.881 4.211 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.158 13.153 5.775 1.00 0.00 H new ATOM 0 HG21 THR A 35 63.052 13.874 3.476 1.00 0.00 H new ATOM 0 HG22 THR A 35 63.001 12.589 2.246 1.00 0.00 H new ATOM 0 HG23 THR A 35 61.592 12.873 3.295 1.00 0.00 H new ATOM 582 N ILE A 36 64.553 8.904 4.282 1.00 0.00 N ATOM 583 CA ILE A 36 65.366 7.919 5.062 1.00 0.00 C ATOM 584 C ILE A 36 66.859 8.140 4.799 1.00 0.00 C ATOM 585 O ILE A 36 67.237 8.772 3.831 1.00 0.00 O ATOM 586 CB ILE A 36 64.921 6.528 4.574 1.00 0.00 C ATOM 587 CG1 ILE A 36 65.127 6.400 3.056 1.00 0.00 C ATOM 588 CG2 ILE A 36 63.438 6.319 4.902 1.00 0.00 C ATOM 589 CD1 ILE A 36 64.977 4.935 2.640 1.00 0.00 C ATOM 0 H ILE A 36 64.910 9.116 3.350 1.00 0.00 H new ATOM 0 HA ILE A 36 65.215 8.026 6.136 1.00 0.00 H new ATOM 0 HB ILE A 36 65.523 5.772 5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.399 7.015 2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 36 66.116 6.768 2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 36 63.124 5.334 4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 36 63.290 6.389 5.980 1.00 0.00 H new ATOM 0 HG23 ILE A 36 62.844 7.085 4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 36 65.123 4.846 1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.722 4.331 3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.979 4.583 2.901 1.00 0.00 H new ATOM 601 N ALA A 37 67.704 7.622 5.654 1.00 0.00 N ATOM 602 CA ALA A 37 69.175 7.718 5.419 1.00 0.00 C ATOM 603 C ALA A 37 69.824 6.355 5.663 1.00 0.00 C ATOM 604 O ALA A 37 69.634 5.746 6.701 1.00 0.00 O ATOM 605 CB ALA A 37 69.686 8.749 6.427 1.00 0.00 C ATOM 0 H ALA A 37 67.436 7.134 6.509 1.00 0.00 H new ATOM 0 HA ALA A 37 69.413 8.013 4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 37 70.763 8.870 6.310 1.00 0.00 H new ATOM 0 HB2 ALA A 37 69.193 9.705 6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 37 69.467 8.408 7.439 1.00 0.00 H new ATOM 611 N LEU A 38 70.587 5.881 4.711 1.00 0.00 N ATOM 612 CA LEU A 38 71.199 4.524 4.828 1.00 0.00 C ATOM 613 C LEU A 38 72.706 4.656 5.030 1.00 0.00 C ATOM 614 O LEU A 38 73.317 5.591 4.548 1.00 0.00 O ATOM 615 CB LEU A 38 70.898 3.827 3.495 1.00 0.00 C ATOM 616 CG LEU A 38 69.384 3.690 3.298 1.00 0.00 C ATOM 617 CD1 LEU A 38 69.100 3.177 1.886 1.00 0.00 C ATOM 618 CD2 LEU A 38 68.818 2.700 4.321 1.00 0.00 C ATOM 0 H LEU A 38 70.814 6.381 3.851 1.00 0.00 H new ATOM 0 HA LEU A 38 70.803 3.962 5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.329 4.398 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.365 2.842 3.478 1.00 0.00 H new ATOM 0 HG LEU A 38 68.913 4.663 3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 38 68.024 3.079 1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 38 69.500 3.881 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 38 69.574 2.205 1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 38 67.742 2.605 4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 38 69.289 1.727 4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 38 69.020 3.063 5.329 1.00 0.00 H new ATOM 630 N SER A 39 73.307 3.728 5.730 1.00 0.00 N ATOM 631 CA SER A 39 74.776 3.808 5.981 1.00 0.00 C ATOM 632 C SER A 39 75.441 2.536 5.465 1.00 0.00 C ATOM 633 O SER A 39 74.810 1.501 5.381 1.00 0.00 O ATOM 634 CB SER A 39 74.919 3.918 7.498 1.00 0.00 C ATOM 635 OG SER A 39 74.454 2.718 8.102 1.00 0.00 O ATOM 0 H SER A 39 72.842 2.917 6.139 1.00 0.00 H new ATOM 0 HA SER A 39 75.247 4.652 5.477 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.961 4.093 7.765 1.00 0.00 H new ATOM 0 HB3 SER A 39 74.348 4.770 7.868 1.00 0.00 H new ATOM 0 HG SER A 39 74.546 2.785 9.075 1.00 0.00 H new ATOM 641 N SER A 40 76.708 2.609 5.118 1.00 0.00 N ATOM 642 CA SER A 40 77.397 1.463 4.431 1.00 0.00 C ATOM 643 C SER A 40 76.511 0.903 3.304 1.00 0.00 C ATOM 644 O SER A 40 75.781 -0.056 3.485 1.00 0.00 O ATOM 645 CB SER A 40 77.662 0.417 5.524 1.00 0.00 C ATOM 646 OG SER A 40 76.459 -0.263 5.857 1.00 0.00 O ATOM 0 H SER A 40 77.301 3.423 5.283 1.00 0.00 H new ATOM 0 HA SER A 40 78.330 1.769 3.958 1.00 0.00 H new ATOM 0 HB2 SER A 40 78.409 -0.298 5.179 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.071 0.902 6.410 1.00 0.00 H new ATOM 0 HG SER A 40 75.724 0.086 5.310 1.00 0.00 H new ATOM 652 N VAL A 41 76.572 1.521 2.150 1.00 0.00 N ATOM 653 CA VAL A 41 75.730 1.081 0.998 1.00 0.00 C ATOM 654 C VAL A 41 76.584 1.025 -0.279 1.00 0.00 C ATOM 655 O VAL A 41 77.532 1.774 -0.433 1.00 0.00 O ATOM 656 CB VAL A 41 74.608 2.132 0.899 1.00 0.00 C ATOM 657 CG1 VAL A 41 75.200 3.506 0.575 1.00 0.00 C ATOM 658 CG2 VAL A 41 73.608 1.739 -0.199 1.00 0.00 C ATOM 0 H VAL A 41 77.176 2.320 1.957 1.00 0.00 H new ATOM 0 HA VAL A 41 75.314 0.082 1.129 1.00 0.00 H new ATOM 0 HB VAL A 41 74.092 2.177 1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 41 74.398 4.241 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 41 75.894 3.798 1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 41 75.730 3.459 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 41 72.820 2.490 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 41 74.125 1.678 -1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 41 73.169 0.770 0.039 1.00 0.00 H new ATOM 668 N ARG A 42 76.251 0.143 -1.188 1.00 0.00 N ATOM 669 CA ARG A 42 77.013 0.042 -2.471 1.00 0.00 C ATOM 670 C ARG A 42 76.040 -0.069 -3.651 1.00 0.00 C ATOM 671 O ARG A 42 74.927 -0.539 -3.498 1.00 0.00 O ATOM 672 CB ARG A 42 77.876 -1.223 -2.339 1.00 0.00 C ATOM 673 CG ARG A 42 76.994 -2.462 -2.133 1.00 0.00 C ATOM 674 CD ARG A 42 77.877 -3.674 -1.820 1.00 0.00 C ATOM 675 NE ARG A 42 76.943 -4.845 -1.771 1.00 0.00 N ATOM 676 CZ ARG A 42 77.389 -6.085 -1.856 1.00 0.00 C ATOM 677 NH1 ARG A 42 78.669 -6.350 -1.980 1.00 0.00 N ATOM 678 NH2 ARG A 42 76.535 -7.072 -1.812 1.00 0.00 N ATOM 0 H ARG A 42 75.478 -0.516 -1.096 1.00 0.00 H new ATOM 0 HA ARG A 42 77.631 0.921 -2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 42 78.485 -1.349 -3.234 1.00 0.00 H new ATOM 0 HB3 ARG A 42 78.562 -1.115 -1.499 1.00 0.00 H new ATOM 0 HG2 ARG A 42 76.292 -2.290 -1.317 1.00 0.00 H new ATOM 0 HG3 ARG A 42 76.402 -2.652 -3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 42 78.640 -3.812 -2.586 1.00 0.00 H new ATOM 0 HD3 ARG A 42 78.397 -3.546 -0.871 1.00 0.00 H new ATOM 0 HE ARG A 42 75.941 -4.681 -1.670 1.00 0.00 H new ATOM 0 HH11 ARG A 42 79.347 -5.588 -2.013 1.00 0.00 H new ATOM 0 HH12 ARG A 42 78.986 -7.318 -2.044 1.00 0.00 H new ATOM 0 HH21 ARG A 42 75.538 -6.880 -1.713 1.00 0.00 H new ATOM 0 HH22 ARG A 42 76.865 -8.035 -1.877 1.00 0.00 H new ATOM 692 N SER A 43 76.451 0.362 -4.820 1.00 0.00 N ATOM 693 CA SER A 43 75.556 0.286 -6.015 1.00 0.00 C ATOM 694 C SER A 43 76.043 -0.816 -6.962 1.00 0.00 C ATOM 695 O SER A 43 77.229 -0.967 -7.189 1.00 0.00 O ATOM 696 CB SER A 43 75.661 1.662 -6.676 1.00 0.00 C ATOM 697 OG SER A 43 76.952 1.812 -7.252 1.00 0.00 O ATOM 0 H SER A 43 77.371 0.764 -4.997 1.00 0.00 H new ATOM 0 HA SER A 43 74.526 0.044 -5.753 1.00 0.00 H new ATOM 0 HB2 SER A 43 74.894 1.769 -7.443 1.00 0.00 H new ATOM 0 HB3 SER A 43 75.486 2.446 -5.939 1.00 0.00 H new ATOM 0 HG SER A 43 77.020 2.692 -7.677 1.00 0.00 H new ATOM 703 N PHE A 44 75.133 -1.582 -7.516 1.00 0.00 N ATOM 704 CA PHE A 44 75.542 -2.758 -8.350 1.00 0.00 C ATOM 705 C PHE A 44 75.868 -2.325 -9.783 1.00 0.00 C ATOM 706 O PHE A 44 76.792 -2.834 -10.390 1.00 0.00 O ATOM 707 CB PHE A 44 74.336 -3.700 -8.338 1.00 0.00 C ATOM 708 CG PHE A 44 74.086 -4.343 -6.994 1.00 0.00 C ATOM 709 CD1 PHE A 44 74.886 -5.433 -6.571 1.00 0.00 C ATOM 710 CD2 PHE A 44 73.053 -3.857 -6.157 1.00 0.00 C ATOM 711 CE1 PHE A 44 74.651 -6.036 -5.312 1.00 0.00 C ATOM 712 CE2 PHE A 44 72.818 -4.460 -4.897 1.00 0.00 C ATOM 713 CZ PHE A 44 73.619 -5.550 -4.474 1.00 0.00 C ATOM 0 H PHE A 44 74.126 -1.444 -7.427 1.00 0.00 H new ATOM 0 HA PHE A 44 76.439 -3.236 -7.957 1.00 0.00 H new ATOM 0 HB2 PHE A 44 73.448 -3.143 -8.636 1.00 0.00 H new ATOM 0 HB3 PHE A 44 74.488 -4.481 -9.083 1.00 0.00 H new ATOM 0 HD1 PHE A 44 75.675 -5.804 -7.209 1.00 0.00 H new ATOM 0 HD2 PHE A 44 72.444 -3.026 -6.479 1.00 0.00 H new ATOM 0 HE1 PHE A 44 75.260 -6.868 -4.990 1.00 0.00 H new ATOM 0 HE2 PHE A 44 72.029 -4.089 -4.259 1.00 0.00 H new ATOM 0 HZ PHE A 44 73.442 -6.010 -3.513 1.00 0.00 H new ATOM 723 N GLY A 45 75.120 -1.393 -10.327 1.00 0.00 N ATOM 724 CA GLY A 45 75.410 -0.915 -11.710 1.00 0.00 C ATOM 725 C GLY A 45 74.247 -0.069 -12.234 1.00 0.00 C ATOM 726 O GLY A 45 73.192 -0.003 -11.631 1.00 0.00 O ATOM 0 H GLY A 45 74.324 -0.946 -9.871 1.00 0.00 H new ATOM 0 HA2 GLY A 45 76.327 -0.326 -11.714 1.00 0.00 H new ATOM 0 HA3 GLY A 45 75.575 -1.767 -12.370 1.00 0.00 H new ATOM 730 N THR A 46 74.445 0.578 -13.357 1.00 0.00 N ATOM 731 CA THR A 46 73.351 1.390 -13.986 1.00 0.00 C ATOM 732 C THR A 46 72.981 0.842 -15.377 1.00 0.00 C ATOM 733 O THR A 46 72.204 1.445 -16.091 1.00 0.00 O ATOM 734 CB THR A 46 73.906 2.816 -14.096 1.00 0.00 C ATOM 735 OG1 THR A 46 75.288 2.773 -14.431 1.00 0.00 O ATOM 736 CG2 THR A 46 73.720 3.550 -12.763 1.00 0.00 C ATOM 0 H THR A 46 75.326 0.579 -13.871 1.00 0.00 H new ATOM 0 HA THR A 46 72.439 1.355 -13.390 1.00 0.00 H new ATOM 0 HB THR A 46 73.365 3.349 -14.878 1.00 0.00 H new ATOM 0 HG1 THR A 46 75.387 2.731 -15.405 1.00 0.00 H new ATOM 0 HG21 THR A 46 74.116 4.562 -12.847 1.00 0.00 H new ATOM 0 HG22 THR A 46 72.659 3.594 -12.517 1.00 0.00 H new ATOM 0 HG23 THR A 46 74.253 3.016 -11.976 1.00 0.00 H new ATOM 744 N GLU A 47 73.536 -0.293 -15.765 1.00 0.00 N ATOM 745 CA GLU A 47 73.421 -0.787 -17.183 1.00 0.00 C ATOM 746 C GLU A 47 71.974 -0.754 -17.708 1.00 0.00 C ATOM 747 O GLU A 47 71.751 -0.696 -18.904 1.00 0.00 O ATOM 748 CB GLU A 47 73.930 -2.233 -17.141 1.00 0.00 C ATOM 749 CG GLU A 47 74.110 -2.757 -18.569 1.00 0.00 C ATOM 750 CD GLU A 47 74.491 -4.239 -18.528 1.00 0.00 C ATOM 751 OE1 GLU A 47 73.897 -4.965 -17.746 1.00 0.00 O ATOM 752 OE2 GLU A 47 75.371 -4.625 -19.280 1.00 0.00 O ATOM 0 H GLU A 47 74.071 -0.905 -15.148 1.00 0.00 H new ATOM 0 HA GLU A 47 73.992 -0.149 -17.858 1.00 0.00 H new ATOM 0 HB2 GLU A 47 74.877 -2.280 -16.604 1.00 0.00 H new ATOM 0 HB3 GLU A 47 73.224 -2.862 -16.599 1.00 0.00 H new ATOM 0 HG2 GLU A 47 73.188 -2.624 -19.135 1.00 0.00 H new ATOM 0 HG3 GLU A 47 74.884 -2.186 -19.082 1.00 0.00 H new ATOM 759 N ASP A 48 70.994 -0.791 -16.833 1.00 0.00 N ATOM 760 CA ASP A 48 69.559 -0.775 -17.291 1.00 0.00 C ATOM 761 C ASP A 48 69.278 0.426 -18.210 1.00 0.00 C ATOM 762 O ASP A 48 68.653 0.285 -19.246 1.00 0.00 O ATOM 763 CB ASP A 48 68.727 -0.667 -16.009 1.00 0.00 C ATOM 764 CG ASP A 48 68.885 -1.946 -15.183 1.00 0.00 C ATOM 765 OD1 ASP A 48 68.861 -3.016 -15.770 1.00 0.00 O ATOM 766 OD2 ASP A 48 69.026 -1.834 -13.977 1.00 0.00 O ATOM 0 H ASP A 48 71.123 -0.832 -15.822 1.00 0.00 H new ATOM 0 HA ASP A 48 69.318 -1.668 -17.868 1.00 0.00 H new ATOM 0 HB2 ASP A 48 69.049 0.196 -15.426 1.00 0.00 H new ATOM 0 HB3 ASP A 48 67.677 -0.510 -16.257 1.00 0.00 H new ATOM 771 N ARG A 49 69.734 1.600 -17.840 1.00 0.00 N ATOM 772 CA ARG A 49 69.489 2.810 -18.690 1.00 0.00 C ATOM 773 C ARG A 49 70.669 3.057 -19.637 1.00 0.00 C ATOM 774 O ARG A 49 70.508 3.091 -20.843 1.00 0.00 O ATOM 775 CB ARG A 49 69.347 3.970 -17.704 1.00 0.00 C ATOM 776 CG ARG A 49 67.999 3.870 -16.989 1.00 0.00 C ATOM 777 CD ARG A 49 67.778 5.123 -16.134 1.00 0.00 C ATOM 778 NE ARG A 49 67.586 6.242 -17.113 1.00 0.00 N ATOM 779 CZ ARG A 49 67.724 7.504 -16.752 1.00 0.00 C ATOM 780 NH1 ARG A 49 68.026 7.840 -15.518 1.00 0.00 N ATOM 781 NH2 ARG A 49 67.549 8.442 -17.642 1.00 0.00 N ATOM 0 H ARG A 49 70.265 1.773 -16.986 1.00 0.00 H new ATOM 0 HA ARG A 49 68.604 2.692 -19.316 1.00 0.00 H new ATOM 0 HB2 ARG A 49 70.159 3.945 -16.977 1.00 0.00 H new ATOM 0 HB3 ARG A 49 69.421 4.921 -18.232 1.00 0.00 H new ATOM 0 HG2 ARG A 49 67.195 3.768 -17.718 1.00 0.00 H new ATOM 0 HG3 ARG A 49 67.974 2.979 -16.361 1.00 0.00 H new ATOM 0 HD2 ARG A 49 66.906 5.010 -15.490 1.00 0.00 H new ATOM 0 HD3 ARG A 49 68.633 5.311 -15.484 1.00 0.00 H new ATOM 0 HE ARG A 49 67.343 6.023 -18.079 1.00 0.00 H new ATOM 0 HH11 ARG A 49 68.160 7.117 -14.811 1.00 0.00 H new ATOM 0 HH12 ARG A 49 68.126 8.824 -15.267 1.00 0.00 H new ATOM 0 HH21 ARG A 49 67.309 8.196 -18.602 1.00 0.00 H new ATOM 0 HH22 ARG A 49 67.652 9.422 -17.378 1.00 0.00 H new ATOM 795 N ASP A 50 71.850 3.228 -19.094 1.00 0.00 N ATOM 796 CA ASP A 50 73.050 3.504 -19.948 1.00 0.00 C ATOM 797 C ASP A 50 73.393 2.275 -20.801 1.00 0.00 C ATOM 798 O ASP A 50 72.788 1.227 -20.665 1.00 0.00 O ATOM 799 CB ASP A 50 74.193 3.858 -18.982 1.00 0.00 C ATOM 800 CG ASP A 50 74.517 2.672 -18.070 1.00 0.00 C ATOM 801 OD1 ASP A 50 74.988 1.671 -18.581 1.00 0.00 O ATOM 802 OD2 ASP A 50 74.294 2.791 -16.879 1.00 0.00 O ATOM 0 H ASP A 50 72.036 3.188 -18.092 1.00 0.00 H new ATOM 0 HA ASP A 50 72.870 4.323 -20.645 1.00 0.00 H new ATOM 0 HB2 ASP A 50 75.080 4.141 -19.549 1.00 0.00 H new ATOM 0 HB3 ASP A 50 73.912 4.721 -18.379 1.00 0.00 H new ATOM 807 N THR A 51 74.359 2.403 -21.675 1.00 0.00 N ATOM 808 CA THR A 51 74.621 1.330 -22.687 1.00 0.00 C ATOM 809 C THR A 51 75.378 0.166 -22.054 1.00 0.00 C ATOM 810 O THR A 51 75.934 0.282 -20.977 1.00 0.00 O ATOM 811 CB THR A 51 75.490 1.979 -23.772 1.00 0.00 C ATOM 812 OG1 THR A 51 76.407 2.888 -23.178 1.00 0.00 O ATOM 813 CG2 THR A 51 74.602 2.720 -24.767 1.00 0.00 C ATOM 0 H THR A 51 74.982 3.209 -21.733 1.00 0.00 H new ATOM 0 HA THR A 51 73.688 0.934 -23.090 1.00 0.00 H new ATOM 0 HB THR A 51 76.047 1.202 -24.295 1.00 0.00 H new ATOM 0 HG1 THR A 51 76.960 3.298 -23.876 1.00 0.00 H new ATOM 0 HG21 THR A 51 75.222 3.180 -25.536 1.00 0.00 H new ATOM 0 HG22 THR A 51 73.910 2.017 -25.231 1.00 0.00 H new ATOM 0 HG23 THR A 51 74.038 3.493 -24.246 1.00 0.00 H new ATOM 821 N GLN A 52 75.396 -0.959 -22.727 1.00 0.00 N ATOM 822 CA GLN A 52 76.072 -2.175 -22.163 1.00 0.00 C ATOM 823 C GLN A 52 77.598 -2.086 -22.308 1.00 0.00 C ATOM 824 O GLN A 52 78.306 -3.003 -21.930 1.00 0.00 O ATOM 825 CB GLN A 52 75.546 -3.377 -22.969 1.00 0.00 C ATOM 826 CG GLN A 52 75.747 -3.162 -24.477 1.00 0.00 C ATOM 827 CD GLN A 52 75.776 -4.516 -25.189 1.00 0.00 C ATOM 828 OE1 GLN A 52 76.300 -5.481 -24.666 1.00 0.00 O ATOM 829 NE2 GLN A 52 75.233 -4.631 -26.370 1.00 0.00 N ATOM 0 H GLN A 52 74.971 -1.090 -23.645 1.00 0.00 H new ATOM 0 HA GLN A 52 75.856 -2.269 -21.099 1.00 0.00 H new ATOM 0 HB2 GLN A 52 76.064 -4.284 -22.656 1.00 0.00 H new ATOM 0 HB3 GLN A 52 74.487 -3.525 -22.758 1.00 0.00 H new ATOM 0 HG2 GLN A 52 74.941 -2.546 -24.877 1.00 0.00 H new ATOM 0 HG3 GLN A 52 76.678 -2.625 -24.657 1.00 0.00 H new ATOM 0 HE21 GLN A 52 74.793 -3.823 -26.810 1.00 0.00 H new ATOM 0 HE22 GLN A 52 75.248 -5.529 -26.853 1.00 0.00 H new ATOM 838 N PHE A 53 78.115 -1.005 -22.845 1.00 0.00 N ATOM 839 CA PHE A 53 79.601 -0.856 -22.925 1.00 0.00 C ATOM 840 C PHE A 53 80.171 -0.580 -21.530 1.00 0.00 C ATOM 841 O PHE A 53 79.457 -0.177 -20.630 1.00 0.00 O ATOM 842 CB PHE A 53 79.838 0.324 -23.872 1.00 0.00 C ATOM 843 CG PHE A 53 79.664 -0.014 -25.345 1.00 0.00 C ATOM 844 CD1 PHE A 53 78.906 -1.150 -25.753 1.00 0.00 C ATOM 845 CD2 PHE A 53 80.263 0.817 -26.325 1.00 0.00 C ATOM 846 CE1 PHE A 53 78.755 -1.444 -27.130 1.00 0.00 C ATOM 847 CE2 PHE A 53 80.110 0.519 -27.701 1.00 0.00 C ATOM 848 CZ PHE A 53 79.357 -0.611 -28.103 1.00 0.00 C ATOM 0 H PHE A 53 77.577 -0.227 -23.227 1.00 0.00 H new ATOM 0 HA PHE A 53 80.095 -1.756 -23.291 1.00 0.00 H new ATOM 0 HB2 PHE A 53 79.150 1.128 -23.612 1.00 0.00 H new ATOM 0 HB3 PHE A 53 80.847 0.705 -23.715 1.00 0.00 H new ATOM 0 HD1 PHE A 53 78.447 -1.787 -25.012 1.00 0.00 H new ATOM 0 HD2 PHE A 53 80.838 1.680 -26.021 1.00 0.00 H new ATOM 0 HE1 PHE A 53 78.180 -2.305 -27.438 1.00 0.00 H new ATOM 0 HE2 PHE A 53 80.568 1.154 -28.445 1.00 0.00 H new ATOM 0 HZ PHE A 53 79.242 -0.837 -29.153 1.00 0.00 H new ATOM 858 N GLN A 54 81.450 -0.795 -21.348 1.00 0.00 N ATOM 859 CA GLN A 54 82.029 -0.805 -19.965 1.00 0.00 C ATOM 860 C GLN A 54 81.941 0.584 -19.322 1.00 0.00 C ATOM 861 O GLN A 54 82.324 1.578 -19.910 1.00 0.00 O ATOM 862 CB GLN A 54 83.495 -1.217 -20.141 1.00 0.00 C ATOM 863 CG GLN A 54 84.117 -1.500 -18.771 1.00 0.00 C ATOM 864 CD GLN A 54 85.583 -1.906 -18.947 1.00 0.00 C ATOM 865 OE1 GLN A 54 85.936 -2.561 -19.908 1.00 0.00 O ATOM 866 NE2 GLN A 54 86.458 -1.543 -18.050 1.00 0.00 N ATOM 0 H GLN A 54 82.121 -0.965 -22.097 1.00 0.00 H new ATOM 0 HA GLN A 54 81.486 -1.487 -19.311 1.00 0.00 H new ATOM 0 HB2 GLN A 54 83.561 -2.104 -20.772 1.00 0.00 H new ATOM 0 HB3 GLN A 54 84.048 -0.425 -20.646 1.00 0.00 H new ATOM 0 HG2 GLN A 54 84.048 -0.615 -18.139 1.00 0.00 H new ATOM 0 HG3 GLN A 54 83.567 -2.295 -18.268 1.00 0.00 H new ATOM 0 HE21 GLN A 54 86.163 -0.993 -17.243 1.00 0.00 H new ATOM 0 HE22 GLN A 54 87.437 -1.809 -18.156 1.00 0.00 H new ATOM 875 N ILE A 55 81.434 0.649 -18.113 1.00 0.00 N ATOM 876 CA ILE A 55 81.439 1.935 -17.348 1.00 0.00 C ATOM 877 C ILE A 55 82.337 1.782 -16.115 1.00 0.00 C ATOM 878 O ILE A 55 82.291 0.778 -15.429 1.00 0.00 O ATOM 879 CB ILE A 55 79.974 2.182 -16.939 1.00 0.00 C ATOM 880 CG1 ILE A 55 79.097 2.278 -18.196 1.00 0.00 C ATOM 881 CG2 ILE A 55 79.866 3.499 -16.158 1.00 0.00 C ATOM 882 CD1 ILE A 55 77.620 2.233 -17.801 1.00 0.00 C ATOM 0 H ILE A 55 81.014 -0.140 -17.621 1.00 0.00 H new ATOM 0 HA ILE A 55 81.824 2.771 -17.932 1.00 0.00 H new ATOM 0 HB ILE A 55 79.638 1.355 -16.313 1.00 0.00 H new ATOM 0 HG12 ILE A 55 79.312 3.203 -18.731 1.00 0.00 H new ATOM 0 HG13 ILE A 55 79.327 1.457 -18.875 1.00 0.00 H new ATOM 0 HG21 ILE A 55 78.828 3.668 -15.872 1.00 0.00 H new ATOM 0 HG22 ILE A 55 80.485 3.443 -15.263 1.00 0.00 H new ATOM 0 HG23 ILE A 55 80.208 4.323 -16.785 1.00 0.00 H new ATOM 0 HD11 ILE A 55 77.002 2.301 -18.696 1.00 0.00 H new ATOM 0 HD12 ILE A 55 77.410 1.296 -17.285 1.00 0.00 H new ATOM 0 HD13 ILE A 55 77.395 3.070 -17.140 1.00 0.00 H new ATOM 894 N ALA A 56 83.151 2.772 -15.831 1.00 0.00 N ATOM 895 CA ALA A 56 84.144 2.645 -14.712 1.00 0.00 C ATOM 896 C ALA A 56 83.419 2.495 -13.360 1.00 0.00 C ATOM 897 O ALA A 56 82.780 3.428 -12.910 1.00 0.00 O ATOM 898 CB ALA A 56 84.947 3.949 -14.737 1.00 0.00 C ATOM 0 H ALA A 56 83.172 3.664 -16.326 1.00 0.00 H new ATOM 0 HA ALA A 56 84.779 1.768 -14.833 1.00 0.00 H new ATOM 0 HB1 ALA A 56 85.695 3.931 -13.945 1.00 0.00 H new ATOM 0 HB2 ALA A 56 85.443 4.053 -15.702 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.275 4.793 -14.582 1.00 0.00 H new ATOM 904 N PRO A 57 83.535 1.327 -12.746 1.00 0.00 N ATOM 905 CA PRO A 57 82.884 1.102 -11.430 1.00 0.00 C ATOM 906 C PRO A 57 83.724 1.722 -10.310 1.00 0.00 C ATOM 907 O PRO A 57 84.932 1.829 -10.418 1.00 0.00 O ATOM 908 CB PRO A 57 82.853 -0.417 -11.304 1.00 0.00 C ATOM 909 CG PRO A 57 84.006 -0.901 -12.125 1.00 0.00 C ATOM 910 CD PRO A 57 84.262 0.127 -13.199 1.00 0.00 C ATOM 0 HA PRO A 57 81.894 1.553 -11.356 1.00 0.00 H new ATOM 0 HB2 PRO A 57 82.952 -0.728 -10.264 1.00 0.00 H new ATOM 0 HB3 PRO A 57 81.910 -0.824 -11.670 1.00 0.00 H new ATOM 0 HG2 PRO A 57 84.891 -1.033 -11.502 1.00 0.00 H new ATOM 0 HG3 PRO A 57 83.780 -1.871 -12.569 1.00 0.00 H new ATOM 0 HD2 PRO A 57 85.328 0.327 -13.310 1.00 0.00 H new ATOM 0 HD3 PRO A 57 83.899 -0.214 -14.169 1.00 0.00 H new ATOM 918 N GLN A 58 83.090 2.130 -9.237 1.00 0.00 N ATOM 919 CA GLN A 58 83.849 2.693 -8.079 1.00 0.00 C ATOM 920 C GLN A 58 83.974 1.641 -6.971 1.00 0.00 C ATOM 921 O GLN A 58 82.993 1.241 -6.372 1.00 0.00 O ATOM 922 CB GLN A 58 83.021 3.885 -7.599 1.00 0.00 C ATOM 923 CG GLN A 58 83.049 4.987 -8.663 1.00 0.00 C ATOM 924 CD GLN A 58 82.213 6.178 -8.190 1.00 0.00 C ATOM 925 OE1 GLN A 58 81.192 6.007 -7.555 1.00 0.00 O ATOM 926 NE2 GLN A 58 82.607 7.389 -8.477 1.00 0.00 N ATOM 0 H GLN A 58 82.078 2.097 -9.114 1.00 0.00 H new ATOM 0 HA GLN A 58 84.862 2.989 -8.353 1.00 0.00 H new ATOM 0 HB2 GLN A 58 81.994 3.575 -7.408 1.00 0.00 H new ATOM 0 HB3 GLN A 58 83.420 4.263 -6.658 1.00 0.00 H new ATOM 0 HG2 GLN A 58 84.076 5.301 -8.849 1.00 0.00 H new ATOM 0 HG3 GLN A 58 82.657 4.606 -9.606 1.00 0.00 H new ATOM 0 HE21 GLN A 58 83.464 7.533 -9.010 1.00 0.00 H new ATOM 0 HE22 GLN A 58 82.057 8.191 -8.168 1.00 0.00 H new ATOM 935 N SER A 59 85.177 1.196 -6.698 1.00 0.00 N ATOM 936 CA SER A 59 85.380 0.149 -5.642 1.00 0.00 C ATOM 937 C SER A 59 85.029 0.707 -4.259 1.00 0.00 C ATOM 938 O SER A 59 84.554 -0.010 -3.397 1.00 0.00 O ATOM 939 CB SER A 59 86.865 -0.214 -5.709 1.00 0.00 C ATOM 940 OG SER A 59 87.192 -0.609 -7.034 1.00 0.00 O ATOM 0 H SER A 59 86.029 1.512 -7.161 1.00 0.00 H new ATOM 0 HA SER A 59 84.742 -0.719 -5.806 1.00 0.00 H new ATOM 0 HB2 SER A 59 87.474 0.640 -5.411 1.00 0.00 H new ATOM 0 HB3 SER A 59 87.086 -1.022 -5.011 1.00 0.00 H new ATOM 0 HG SER A 59 88.143 -0.841 -7.081 1.00 0.00 H new ATOM 946 N GLN A 60 85.259 1.981 -4.044 1.00 0.00 N ATOM 947 CA GLN A 60 84.978 2.591 -2.702 1.00 0.00 C ATOM 948 C GLN A 60 83.485 2.493 -2.363 1.00 0.00 C ATOM 949 O GLN A 60 82.636 2.621 -3.226 1.00 0.00 O ATOM 950 CB GLN A 60 85.397 4.060 -2.826 1.00 0.00 C ATOM 951 CG GLN A 60 86.913 4.147 -3.021 1.00 0.00 C ATOM 952 CD GLN A 60 87.327 5.611 -3.183 1.00 0.00 C ATOM 953 OE1 GLN A 60 86.614 6.396 -3.775 1.00 0.00 O ATOM 954 NE2 GLN A 60 88.461 6.014 -2.678 1.00 0.00 N ATOM 0 H GLN A 60 85.630 2.627 -4.741 1.00 0.00 H new ATOM 0 HA GLN A 60 85.518 2.077 -1.907 1.00 0.00 H new ATOM 0 HB2 GLN A 60 84.885 4.525 -3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 60 85.103 4.609 -1.932 1.00 0.00 H new ATOM 0 HG2 GLN A 60 87.426 3.706 -2.166 1.00 0.00 H new ATOM 0 HG3 GLN A 60 87.210 3.575 -3.900 1.00 0.00 H new ATOM 0 HE21 GLN A 60 89.060 5.355 -2.181 1.00 0.00 H new ATOM 0 HE22 GLN A 60 88.748 6.987 -2.781 1.00 0.00 H new ATOM 963 N ILE A 61 83.169 2.266 -1.112 1.00 0.00 N ATOM 964 CA ILE A 61 81.735 2.178 -0.692 1.00 0.00 C ATOM 965 C ILE A 61 81.276 3.530 -0.134 1.00 0.00 C ATOM 966 O ILE A 61 82.086 4.342 0.277 1.00 0.00 O ATOM 967 CB ILE A 61 81.699 1.096 0.405 1.00 0.00 C ATOM 968 CG1 ILE A 61 82.271 -0.237 -0.127 1.00 0.00 C ATOM 969 CG2 ILE A 61 80.257 0.877 0.877 1.00 0.00 C ATOM 970 CD1 ILE A 61 81.507 -0.703 -1.378 1.00 0.00 C ATOM 0 H ILE A 61 83.846 2.137 -0.360 1.00 0.00 H new ATOM 0 HA ILE A 61 81.073 1.929 -1.521 1.00 0.00 H new ATOM 0 HB ILE A 61 82.310 1.435 1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.327 -0.114 -0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 61 82.206 -1.000 0.649 1.00 0.00 H new ATOM 0 HG21 ILE A 61 80.240 0.111 1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 61 79.860 1.809 1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 61 79.644 0.555 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 61 81.929 -1.643 -1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 61 80.456 -0.848 -1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 61 81.594 0.052 -2.160 1.00 0.00 H new ATOM 982 N TYR A 62 79.988 3.774 -0.114 1.00 0.00 N ATOM 983 CA TYR A 62 79.476 5.085 0.393 1.00 0.00 C ATOM 984 C TYR A 62 79.133 4.977 1.881 1.00 0.00 C ATOM 985 O TYR A 62 78.209 4.282 2.261 1.00 0.00 O ATOM 986 CB TYR A 62 78.215 5.368 -0.423 1.00 0.00 C ATOM 987 CG TYR A 62 78.464 5.477 -1.909 1.00 0.00 C ATOM 988 CD1 TYR A 62 79.077 6.638 -2.442 1.00 0.00 C ATOM 989 CD2 TYR A 62 78.080 4.420 -2.771 1.00 0.00 C ATOM 990 CE1 TYR A 62 79.307 6.740 -3.835 1.00 0.00 C ATOM 991 CE2 TYR A 62 78.310 4.522 -4.163 1.00 0.00 C ATOM 992 CZ TYR A 62 78.923 5.682 -4.696 1.00 0.00 C ATOM 993 OH TYR A 62 79.147 5.782 -6.054 1.00 0.00 O ATOM 0 H TYR A 62 79.269 3.121 -0.427 1.00 0.00 H new ATOM 0 HA TYR A 62 80.214 5.880 0.289 1.00 0.00 H new ATOM 0 HB2 TYR A 62 77.490 4.574 -0.242 1.00 0.00 H new ATOM 0 HB3 TYR A 62 77.765 6.296 -0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 62 79.369 7.445 -1.786 1.00 0.00 H new ATOM 0 HD2 TYR A 62 77.611 3.536 -2.365 1.00 0.00 H new ATOM 0 HE1 TYR A 62 79.775 7.624 -4.242 1.00 0.00 H new ATOM 0 HE2 TYR A 62 78.018 3.715 -4.819 1.00 0.00 H new ATOM 0 HH TYR A 62 80.112 5.791 -6.227 1.00 0.00 H new ATOM 1003 N ASP A 63 79.878 5.658 2.722 1.00 0.00 N ATOM 1004 CA ASP A 63 79.578 5.663 4.196 1.00 0.00 C ATOM 1005 C ASP A 63 78.110 6.022 4.474 1.00 0.00 C ATOM 1006 O ASP A 63 77.465 5.419 5.313 1.00 0.00 O ATOM 1007 CB ASP A 63 80.492 6.743 4.782 1.00 0.00 C ATOM 1008 CG ASP A 63 81.954 6.302 4.663 1.00 0.00 C ATOM 1009 OD1 ASP A 63 82.227 5.141 4.922 1.00 0.00 O ATOM 1010 OD2 ASP A 63 82.776 7.133 4.313 1.00 0.00 O ATOM 0 H ASP A 63 80.688 6.215 2.450 1.00 0.00 H new ATOM 0 HA ASP A 63 79.745 4.679 4.634 1.00 0.00 H new ATOM 0 HB2 ASP A 63 80.342 7.685 4.255 1.00 0.00 H new ATOM 0 HB3 ASP A 63 80.239 6.919 5.828 1.00 0.00 H new ATOM 1015 N TYR A 64 77.584 6.999 3.774 1.00 0.00 N ATOM 1016 CA TYR A 64 76.206 7.496 4.077 1.00 0.00 C ATOM 1017 C TYR A 64 75.568 8.097 2.821 1.00 0.00 C ATOM 1018 O TYR A 64 76.154 8.934 2.160 1.00 0.00 O ATOM 1019 CB TYR A 64 76.410 8.576 5.141 1.00 0.00 C ATOM 1020 CG TYR A 64 75.137 9.017 5.832 1.00 0.00 C ATOM 1021 CD1 TYR A 64 74.115 9.676 5.102 1.00 0.00 C ATOM 1022 CD2 TYR A 64 74.971 8.784 7.220 1.00 0.00 C ATOM 1023 CE1 TYR A 64 72.934 10.098 5.757 1.00 0.00 C ATOM 1024 CE2 TYR A 64 73.788 9.205 7.874 1.00 0.00 C ATOM 1025 CZ TYR A 64 72.770 9.863 7.143 1.00 0.00 C ATOM 1026 OH TYR A 64 71.619 10.275 7.782 1.00 0.00 O ATOM 0 H TYR A 64 78.053 7.475 3.003 1.00 0.00 H new ATOM 0 HA TYR A 64 75.543 6.700 4.417 1.00 0.00 H new ATOM 0 HB2 TYR A 64 77.107 8.203 5.892 1.00 0.00 H new ATOM 0 HB3 TYR A 64 76.877 9.444 4.676 1.00 0.00 H new ATOM 0 HD1 TYR A 64 74.238 9.856 4.044 1.00 0.00 H new ATOM 0 HD2 TYR A 64 75.748 8.285 7.780 1.00 0.00 H new ATOM 0 HE1 TYR A 64 72.157 10.600 5.199 1.00 0.00 H new ATOM 0 HE2 TYR A 64 73.662 9.024 8.931 1.00 0.00 H new ATOM 0 HH TYR A 64 71.668 10.035 8.731 1.00 0.00 H new ATOM 1036 N ILE A 65 74.372 7.672 2.491 1.00 0.00 N ATOM 1037 CA ILE A 65 73.618 8.324 1.369 1.00 0.00 C ATOM 1038 C ILE A 65 72.211 8.716 1.842 1.00 0.00 C ATOM 1039 O ILE A 65 71.521 7.933 2.471 1.00 0.00 O ATOM 1040 CB ILE A 65 73.549 7.279 0.242 1.00 0.00 C ATOM 1041 CG1 ILE A 65 74.974 6.932 -0.223 1.00 0.00 C ATOM 1042 CG2 ILE A 65 72.751 7.847 -0.945 1.00 0.00 C ATOM 1043 CD1 ILE A 65 74.926 5.865 -1.325 1.00 0.00 C ATOM 0 H ILE A 65 73.884 6.902 2.949 1.00 0.00 H new ATOM 0 HA ILE A 65 74.106 9.236 1.026 1.00 0.00 H new ATOM 0 HB ILE A 65 73.055 6.381 0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 65 75.471 7.828 -0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 65 75.561 6.568 0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 65 72.704 7.104 -1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 65 71.740 8.094 -0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 65 73.242 8.746 -1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 65 75.940 5.628 -1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 65 74.447 4.965 -0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 65 74.356 6.244 -2.174 1.00 0.00 H new ATOM 1055 N LEU A 66 71.792 9.921 1.542 1.00 0.00 N ATOM 1056 CA LEU A 66 70.402 10.353 1.889 1.00 0.00 C ATOM 1057 C LEU A 66 69.450 10.032 0.732 1.00 0.00 C ATOM 1058 O LEU A 66 69.772 10.247 -0.422 1.00 0.00 O ATOM 1059 CB LEU A 66 70.495 11.867 2.108 1.00 0.00 C ATOM 1060 CG LEU A 66 69.159 12.396 2.639 1.00 0.00 C ATOM 1061 CD1 LEU A 66 68.956 11.927 4.082 1.00 0.00 C ATOM 1062 CD2 LEU A 66 69.167 13.926 2.598 1.00 0.00 C ATOM 0 H LEU A 66 72.356 10.627 1.069 1.00 0.00 H new ATOM 0 HA LEU A 66 70.017 9.841 2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 66 71.293 12.093 2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 66 70.748 12.365 1.172 1.00 0.00 H new ATOM 0 HG LEU A 66 68.347 12.017 2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.005 12.305 4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 66 68.951 10.837 4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.767 12.304 4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 66 68.217 14.305 2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 66 69.980 14.302 3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 66 69.309 14.262 1.571 1.00 0.00 H new ATOM 1074 N PHE A 67 68.283 9.519 1.037 1.00 0.00 N ATOM 1075 CA PHE A 67 67.329 9.109 -0.039 1.00 0.00 C ATOM 1076 C PHE A 67 65.918 9.622 0.265 1.00 0.00 C ATOM 1077 O PHE A 67 65.367 9.354 1.317 1.00 0.00 O ATOM 1078 CB PHE A 67 67.352 7.576 -0.026 1.00 0.00 C ATOM 1079 CG PHE A 67 68.390 6.960 -0.939 1.00 0.00 C ATOM 1080 CD1 PHE A 67 68.575 7.462 -2.251 1.00 0.00 C ATOM 1081 CD2 PHE A 67 69.162 5.862 -0.489 1.00 0.00 C ATOM 1082 CE1 PHE A 67 69.526 6.866 -3.108 1.00 0.00 C ATOM 1083 CE2 PHE A 67 70.120 5.269 -1.346 1.00 0.00 C ATOM 1084 CZ PHE A 67 70.302 5.771 -2.657 1.00 0.00 C ATOM 0 H PHE A 67 67.949 9.366 1.989 1.00 0.00 H new ATOM 0 HA PHE A 67 67.610 9.518 -1.009 1.00 0.00 H new ATOM 0 HB2 PHE A 67 67.534 7.236 0.993 1.00 0.00 H new ATOM 0 HB3 PHE A 67 66.367 7.207 -0.314 1.00 0.00 H new ATOM 0 HD1 PHE A 67 67.988 8.301 -2.596 1.00 0.00 H new ATOM 0 HD2 PHE A 67 69.020 5.476 0.510 1.00 0.00 H new ATOM 0 HE1 PHE A 67 69.662 7.246 -4.110 1.00 0.00 H new ATOM 0 HE2 PHE A 67 70.712 4.434 -1.000 1.00 0.00 H new ATOM 0 HZ PHE A 67 71.032 5.319 -3.312 1.00 0.00 H new ATOM 1094 N ARG A 68 65.335 10.358 -0.650 1.00 0.00 N ATOM 1095 CA ARG A 68 63.900 10.753 -0.503 1.00 0.00 C ATOM 1096 C ARG A 68 62.992 9.742 -1.217 1.00 0.00 C ATOM 1097 O ARG A 68 63.347 9.186 -2.244 1.00 0.00 O ATOM 1098 CB ARG A 68 63.794 12.129 -1.167 1.00 0.00 C ATOM 1099 CG ARG A 68 64.576 13.155 -0.345 1.00 0.00 C ATOM 1100 CD ARG A 68 64.383 14.549 -0.949 1.00 0.00 C ATOM 1101 NE ARG A 68 65.339 15.430 -0.208 1.00 0.00 N ATOM 1102 CZ ARG A 68 66.635 15.413 -0.462 1.00 0.00 C ATOM 1103 NH1 ARG A 68 67.150 14.614 -1.367 1.00 0.00 N ATOM 1104 NH2 ARG A 68 67.423 16.210 0.205 1.00 0.00 N ATOM 0 H ARG A 68 65.793 10.703 -1.494 1.00 0.00 H new ATOM 0 HA ARG A 68 63.587 10.778 0.541 1.00 0.00 H new ATOM 0 HB2 ARG A 68 64.187 12.085 -2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 68 62.749 12.428 -1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 68 64.233 13.145 0.690 1.00 0.00 H new ATOM 0 HG3 ARG A 68 65.635 12.896 -0.333 1.00 0.00 H new ATOM 0 HD2 ARG A 68 64.595 14.548 -2.018 1.00 0.00 H new ATOM 0 HD3 ARG A 68 63.356 14.892 -0.828 1.00 0.00 H new ATOM 0 HE ARG A 68 64.981 16.059 0.511 1.00 0.00 H new ATOM 0 HH11 ARG A 68 66.545 13.985 -1.895 1.00 0.00 H new ATOM 0 HH12 ARG A 68 68.155 14.622 -1.542 1.00 0.00 H new ATOM 0 HH21 ARG A 68 67.036 16.835 0.912 1.00 0.00 H new ATOM 0 HH22 ARG A 68 68.426 16.208 0.020 1.00 0.00 H new ATOM 1118 N GLY A 69 61.819 9.502 -0.682 1.00 0.00 N ATOM 1119 CA GLY A 69 60.873 8.536 -1.326 1.00 0.00 C ATOM 1120 C GLY A 69 60.502 9.006 -2.743 1.00 0.00 C ATOM 1121 O GLY A 69 60.135 8.207 -3.587 1.00 0.00 O ATOM 0 H GLY A 69 61.475 9.935 0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 69 61.330 7.547 -1.373 1.00 0.00 H new ATOM 0 HA3 GLY A 69 59.972 8.442 -0.720 1.00 0.00 H new ATOM 1125 N SER A 70 60.594 10.289 -3.009 1.00 0.00 N ATOM 1126 CA SER A 70 60.115 10.825 -4.326 1.00 0.00 C ATOM 1127 C SER A 70 60.999 10.333 -5.480 1.00 0.00 C ATOM 1128 O SER A 70 60.500 9.966 -6.529 1.00 0.00 O ATOM 1129 CB SER A 70 60.207 12.347 -4.200 1.00 0.00 C ATOM 1130 OG SER A 70 59.479 12.769 -3.053 1.00 0.00 O ATOM 0 H SER A 70 60.979 10.987 -2.373 1.00 0.00 H new ATOM 0 HA SER A 70 59.102 10.489 -4.547 1.00 0.00 H new ATOM 0 HB2 SER A 70 61.250 12.654 -4.116 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.805 12.822 -5.095 1.00 0.00 H new ATOM 0 HG SER A 70 59.538 13.744 -2.969 1.00 0.00 H new ATOM 1136 N ASP A 71 62.301 10.322 -5.302 1.00 0.00 N ATOM 1137 CA ASP A 71 63.207 9.936 -6.434 1.00 0.00 C ATOM 1138 C ASP A 71 63.383 8.414 -6.507 1.00 0.00 C ATOM 1139 O ASP A 71 63.692 7.877 -7.554 1.00 0.00 O ATOM 1140 CB ASP A 71 64.545 10.647 -6.168 1.00 0.00 C ATOM 1141 CG ASP A 71 65.161 10.177 -4.847 1.00 0.00 C ATOM 1142 OD1 ASP A 71 64.684 10.603 -3.812 1.00 0.00 O ATOM 1143 OD2 ASP A 71 66.107 9.409 -4.898 1.00 0.00 O ATOM 0 H ASP A 71 62.772 10.561 -4.430 1.00 0.00 H new ATOM 0 HA ASP A 71 62.791 10.234 -7.396 1.00 0.00 H new ATOM 0 HB2 ASP A 71 65.236 10.448 -6.987 1.00 0.00 H new ATOM 0 HB3 ASP A 71 64.389 11.725 -6.138 1.00 0.00 H new ATOM 1148 N ILE A 72 63.192 7.713 -5.412 1.00 0.00 N ATOM 1149 CA ILE A 72 63.212 6.216 -5.475 1.00 0.00 C ATOM 1150 C ILE A 72 61.784 5.673 -5.584 1.00 0.00 C ATOM 1151 O ILE A 72 60.860 6.198 -4.990 1.00 0.00 O ATOM 1152 CB ILE A 72 63.914 5.758 -4.188 1.00 0.00 C ATOM 1153 CG1 ILE A 72 65.357 6.282 -4.217 1.00 0.00 C ATOM 1154 CG2 ILE A 72 63.933 4.221 -4.102 1.00 0.00 C ATOM 1155 CD1 ILE A 72 66.076 5.957 -2.907 1.00 0.00 C ATOM 0 H ILE A 72 63.025 8.109 -4.487 1.00 0.00 H new ATOM 0 HA ILE A 72 63.741 5.841 -6.351 1.00 0.00 H new ATOM 0 HB ILE A 72 63.379 6.146 -3.322 1.00 0.00 H new ATOM 0 HG12 ILE A 72 65.895 5.835 -5.053 1.00 0.00 H new ATOM 0 HG13 ILE A 72 65.355 7.360 -4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 72 64.434 3.914 -3.184 1.00 0.00 H new ATOM 0 HG22 ILE A 72 62.910 3.844 -4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 72 64.468 3.815 -4.961 1.00 0.00 H new ATOM 0 HD11 ILE A 72 67.097 6.337 -2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 72 65.548 6.425 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 72 66.096 4.877 -2.761 1.00 0.00 H new ATOM 1167 N LYS A 73 61.611 4.620 -6.346 1.00 0.00 N ATOM 1168 CA LYS A 73 60.240 4.144 -6.688 1.00 0.00 C ATOM 1169 C LYS A 73 59.866 2.896 -5.880 1.00 0.00 C ATOM 1170 O LYS A 73 58.696 2.590 -5.732 1.00 0.00 O ATOM 1171 CB LYS A 73 60.299 3.817 -8.180 1.00 0.00 C ATOM 1172 CG LYS A 73 58.884 3.565 -8.706 1.00 0.00 C ATOM 1173 CD LYS A 73 58.950 3.178 -10.185 1.00 0.00 C ATOM 1174 CE LYS A 73 57.532 3.086 -10.753 1.00 0.00 C ATOM 1175 NZ LYS A 73 57.704 3.155 -12.231 1.00 0.00 N ATOM 0 H LYS A 73 62.369 4.068 -6.747 1.00 0.00 H new ATOM 0 HA LYS A 73 59.484 4.894 -6.456 1.00 0.00 H new ATOM 0 HB2 LYS A 73 60.759 4.641 -8.725 1.00 0.00 H new ATOM 0 HB3 LYS A 73 60.922 2.938 -8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 73 58.408 2.770 -8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 73 58.273 4.459 -8.580 1.00 0.00 H new ATOM 0 HD2 LYS A 73 59.528 3.917 -10.740 1.00 0.00 H new ATOM 0 HD3 LYS A 73 59.462 2.222 -10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 73 57.047 2.156 -10.455 1.00 0.00 H new ATOM 0 HE3 LYS A 73 56.907 3.902 -10.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 56.773 3.098 -12.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 58.162 4.053 -12.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 58.297 2.362 -12.549 1.00 0.00 H new ATOM 1189 N ASP A 74 60.832 2.170 -5.355 1.00 0.00 N ATOM 1190 CA ASP A 74 60.479 0.940 -4.574 1.00 0.00 C ATOM 1191 C ASP A 74 61.551 0.618 -3.529 1.00 0.00 C ATOM 1192 O ASP A 74 62.730 0.603 -3.817 1.00 0.00 O ATOM 1193 CB ASP A 74 60.383 -0.179 -5.613 1.00 0.00 C ATOM 1194 CG ASP A 74 59.765 -1.423 -4.972 1.00 0.00 C ATOM 1195 OD1 ASP A 74 58.791 -1.275 -4.253 1.00 0.00 O ATOM 1196 OD2 ASP A 74 60.278 -2.505 -5.212 1.00 0.00 O ATOM 0 H ASP A 74 61.829 2.372 -5.432 1.00 0.00 H new ATOM 0 HA ASP A 74 59.548 1.069 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 74 59.776 0.147 -6.458 1.00 0.00 H new ATOM 0 HB3 ASP A 74 61.374 -0.413 -6.003 1.00 0.00 H new ATOM 1201 N ILE A 75 61.130 0.361 -2.312 1.00 0.00 N ATOM 1202 CA ILE A 75 62.084 -0.067 -1.242 1.00 0.00 C ATOM 1203 C ILE A 75 61.530 -1.307 -0.519 1.00 0.00 C ATOM 1204 O ILE A 75 60.348 -1.387 -0.236 1.00 0.00 O ATOM 1205 CB ILE A 75 62.192 1.140 -0.290 1.00 0.00 C ATOM 1206 CG1 ILE A 75 63.179 0.819 0.840 1.00 0.00 C ATOM 1207 CG2 ILE A 75 60.821 1.473 0.314 1.00 0.00 C ATOM 1208 CD1 ILE A 75 63.540 2.105 1.589 1.00 0.00 C ATOM 0 H ILE A 75 60.157 0.431 -2.014 1.00 0.00 H new ATOM 0 HA ILE A 75 63.062 -0.345 -1.635 1.00 0.00 H new ATOM 0 HB ILE A 75 62.547 2.000 -0.858 1.00 0.00 H new ATOM 0 HG12 ILE A 75 62.738 0.098 1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 75 64.079 0.360 0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 75 60.916 2.328 0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 75 60.120 1.715 -0.485 1.00 0.00 H new ATOM 0 HG23 ILE A 75 60.451 0.614 0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 75 64.241 1.874 2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 75 63.999 2.812 0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 75 62.637 2.545 2.012 1.00 0.00 H new ATOM 1220 N ARG A 76 62.375 -2.265 -0.223 1.00 0.00 N ATOM 1221 CA ARG A 76 61.902 -3.500 0.479 1.00 0.00 C ATOM 1222 C ARG A 76 62.994 -4.038 1.408 1.00 0.00 C ATOM 1223 O ARG A 76 64.137 -4.183 1.017 1.00 0.00 O ATOM 1224 CB ARG A 76 61.603 -4.506 -0.634 1.00 0.00 C ATOM 1225 CG ARG A 76 60.402 -4.028 -1.455 1.00 0.00 C ATOM 1226 CD ARG A 76 59.952 -5.146 -2.400 1.00 0.00 C ATOM 1227 NE ARG A 76 58.931 -4.519 -3.300 1.00 0.00 N ATOM 1228 CZ ARG A 76 58.579 -5.083 -4.440 1.00 0.00 C ATOM 1229 NH1 ARG A 76 59.100 -6.223 -4.836 1.00 0.00 N ATOM 1230 NH2 ARG A 76 57.689 -4.496 -5.192 1.00 0.00 N ATOM 0 H ARG A 76 63.372 -2.245 -0.437 1.00 0.00 H new ATOM 0 HA ARG A 76 61.026 -3.307 1.099 1.00 0.00 H new ATOM 0 HB2 ARG A 76 62.475 -4.619 -1.279 1.00 0.00 H new ATOM 0 HB3 ARG A 76 61.395 -5.486 -0.205 1.00 0.00 H new ATOM 0 HG2 ARG A 76 59.584 -3.746 -0.792 1.00 0.00 H new ATOM 0 HG3 ARG A 76 60.669 -3.139 -2.027 1.00 0.00 H new ATOM 0 HD2 ARG A 76 60.792 -5.539 -2.973 1.00 0.00 H new ATOM 0 HD3 ARG A 76 59.526 -5.982 -1.845 1.00 0.00 H new ATOM 0 HE ARG A 76 58.499 -3.637 -3.025 1.00 0.00 H new ATOM 0 HH11 ARG A 76 59.795 -6.694 -4.257 1.00 0.00 H new ATOM 0 HH12 ARG A 76 58.809 -6.636 -5.722 1.00 0.00 H new ATOM 0 HH21 ARG A 76 57.274 -3.612 -4.896 1.00 0.00 H new ATOM 0 HH22 ARG A 76 57.408 -4.921 -6.076 1.00 0.00 H new ATOM 1244 N VAL A 77 62.645 -4.334 2.638 1.00 0.00 N ATOM 1245 CA VAL A 77 63.643 -4.914 3.593 1.00 0.00 C ATOM 1246 C VAL A 77 63.665 -6.446 3.471 1.00 0.00 C ATOM 1247 O VAL A 77 62.653 -7.067 3.198 1.00 0.00 O ATOM 1248 CB VAL A 77 63.181 -4.460 4.995 1.00 0.00 C ATOM 1249 CG1 VAL A 77 61.789 -5.022 5.326 1.00 0.00 C ATOM 1250 CG2 VAL A 77 64.185 -4.945 6.046 1.00 0.00 C ATOM 0 H VAL A 77 61.710 -4.199 3.022 1.00 0.00 H new ATOM 0 HA VAL A 77 64.659 -4.577 3.389 1.00 0.00 H new ATOM 0 HB VAL A 77 63.127 -3.371 5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 77 61.488 -4.687 6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 77 61.069 -4.667 4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 77 61.822 -6.111 5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 77 63.859 -4.625 7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 77 64.244 -6.033 6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 77 65.167 -4.523 5.833 1.00 0.00 H new ATOM 1260 N VAL A 78 64.810 -7.053 3.671 1.00 0.00 N ATOM 1261 CA VAL A 78 64.907 -8.543 3.562 1.00 0.00 C ATOM 1262 C VAL A 78 64.750 -9.175 4.950 1.00 0.00 C ATOM 1263 O VAL A 78 65.355 -8.734 5.910 1.00 0.00 O ATOM 1264 CB VAL A 78 66.307 -8.821 2.990 1.00 0.00 C ATOM 1265 CG1 VAL A 78 66.497 -10.329 2.792 1.00 0.00 C ATOM 1266 CG2 VAL A 78 66.465 -8.121 1.635 1.00 0.00 C ATOM 0 H VAL A 78 65.683 -6.580 3.905 1.00 0.00 H new ATOM 0 HA VAL A 78 64.128 -8.965 2.927 1.00 0.00 H new ATOM 0 HB VAL A 78 67.053 -8.443 3.689 1.00 0.00 H new ATOM 0 HG11 VAL A 78 67.491 -10.520 2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 78 66.392 -10.838 3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 78 65.744 -10.703 2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 78 67.459 -8.322 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 78 65.712 -8.496 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 78 66.336 -7.046 1.763 1.00 0.00 H new ATOM 1276 N ASN A 79 63.943 -10.203 5.058 1.00 0.00 N ATOM 1277 CA ASN A 79 63.731 -10.864 6.386 1.00 0.00 C ATOM 1278 C ASN A 79 63.677 -12.392 6.238 1.00 0.00 C ATOM 1279 O ASN A 79 64.237 -13.114 7.042 1.00 0.00 O ATOM 1280 CB ASN A 79 62.395 -10.311 6.913 1.00 0.00 C ATOM 1281 CG ASN A 79 61.258 -10.615 5.928 1.00 0.00 C ATOM 1282 OD1 ASN A 79 60.728 -11.708 5.912 1.00 0.00 O ATOM 1283 ND2 ASN A 79 60.861 -9.686 5.101 1.00 0.00 N ATOM 0 H ASN A 79 63.421 -10.614 4.284 1.00 0.00 H new ATOM 0 HA ASN A 79 64.550 -10.655 7.074 1.00 0.00 H new ATOM 0 HB2 ASN A 79 62.170 -10.753 7.884 1.00 0.00 H new ATOM 0 HB3 ASN A 79 62.475 -9.234 7.063 1.00 0.00 H new ATOM 0 HD21 ASN A 79 60.106 -9.878 4.442 1.00 0.00 H new ATOM 0 HD22 ASN A 79 61.305 -8.768 5.114 1.00 0.00 H new ATOM 1290 N ASN A 80 63.010 -12.888 5.221 1.00 0.00 N ATOM 1291 CA ASN A 80 62.889 -14.370 5.046 1.00 0.00 C ATOM 1292 C ASN A 80 63.153 -14.765 3.588 1.00 0.00 C ATOM 1293 O ASN A 80 62.611 -15.739 3.098 1.00 0.00 O ATOM 1294 CB ASN A 80 61.446 -14.698 5.436 1.00 0.00 C ATOM 1295 CG ASN A 80 61.244 -14.442 6.931 1.00 0.00 C ATOM 1296 OD1 ASN A 80 62.129 -14.691 7.727 1.00 0.00 O ATOM 1297 ND2 ASN A 80 60.109 -13.953 7.349 1.00 0.00 N ATOM 0 H ASN A 80 62.545 -12.330 4.505 1.00 0.00 H new ATOM 0 HA ASN A 80 63.613 -14.913 5.653 1.00 0.00 H new ATOM 0 HB2 ASN A 80 60.755 -14.087 4.856 1.00 0.00 H new ATOM 0 HB3 ASN A 80 61.224 -15.739 5.202 1.00 0.00 H new ATOM 0 HD21 ASN A 80 59.964 -13.779 8.344 1.00 0.00 H new ATOM 0 HD22 ASN A 80 59.367 -13.744 6.681 1.00 0.00 H new ATOM 1304 N HIS A 81 63.980 -14.018 2.896 1.00 0.00 N ATOM 1305 CA HIS A 81 64.298 -14.358 1.474 1.00 0.00 C ATOM 1306 C HIS A 81 65.685 -13.828 1.098 1.00 0.00 C ATOM 1307 O HIS A 81 66.192 -12.905 1.709 1.00 0.00 O ATOM 1308 CB HIS A 81 63.210 -13.674 0.641 1.00 0.00 C ATOM 1309 CG HIS A 81 63.133 -12.182 0.839 1.00 0.00 C ATOM 1310 ND1 HIS A 81 62.189 -11.595 1.668 1.00 0.00 N ATOM 1311 CD2 HIS A 81 63.872 -11.148 0.321 1.00 0.00 C ATOM 1312 CE1 HIS A 81 62.385 -10.265 1.625 1.00 0.00 C ATOM 1313 NE2 HIS A 81 63.398 -9.938 0.819 1.00 0.00 N ATOM 0 H HIS A 81 64.449 -13.187 3.256 1.00 0.00 H new ATOM 0 HA HIS A 81 64.316 -15.435 1.304 1.00 0.00 H new ATOM 0 HB2 HIS A 81 63.390 -13.881 -0.414 1.00 0.00 H new ATOM 0 HB3 HIS A 81 62.245 -14.114 0.892 1.00 0.00 H new ATOM 0 HD1 HIS A 81 61.476 -12.083 2.211 1.00 0.00 H new ATOM 0 HD2 HIS A 81 64.696 -11.257 -0.368 1.00 0.00 H new ATOM 0 HE1 HIS A 81 61.794 -9.548 2.176 1.00 0.00 H new ATOM 1321 N THR A 82 66.300 -14.409 0.095 1.00 0.00 N ATOM 1322 CA THR A 82 67.657 -13.951 -0.334 1.00 0.00 C ATOM 1323 C THR A 82 67.650 -13.598 -1.824 1.00 0.00 C ATOM 1324 O THR A 82 66.752 -13.978 -2.553 1.00 0.00 O ATOM 1325 CB THR A 82 68.581 -15.143 -0.072 1.00 0.00 C ATOM 1326 OG1 THR A 82 68.060 -16.296 -0.718 1.00 0.00 O ATOM 1327 CG2 THR A 82 68.680 -15.399 1.434 1.00 0.00 C ATOM 0 H THR A 82 65.917 -15.184 -0.446 1.00 0.00 H new ATOM 0 HA THR A 82 67.979 -13.059 0.203 1.00 0.00 H new ATOM 0 HB THR A 82 69.574 -14.924 -0.464 1.00 0.00 H new ATOM 0 HG1 THR A 82 68.652 -17.059 -0.552 1.00 0.00 H new ATOM 0 HG21 THR A 82 69.339 -16.248 1.616 1.00 0.00 H new ATOM 0 HG22 THR A 82 69.083 -14.515 1.928 1.00 0.00 H new ATOM 0 HG23 THR A 82 67.689 -15.617 1.832 1.00 0.00 H new ATOM 1335 N LEU A 83 68.644 -12.872 -2.276 1.00 0.00 N ATOM 1336 CA LEU A 83 68.710 -12.489 -3.719 1.00 0.00 C ATOM 1337 C LEU A 83 69.820 -13.286 -4.429 1.00 0.00 C ATOM 1338 O LEU A 83 70.987 -13.050 -4.178 1.00 0.00 O ATOM 1339 CB LEU A 83 69.048 -10.998 -3.713 1.00 0.00 C ATOM 1340 CG LEU A 83 68.577 -10.361 -5.020 1.00 0.00 C ATOM 1341 CD1 LEU A 83 68.431 -8.851 -4.832 1.00 0.00 C ATOM 1342 CD2 LEU A 83 69.603 -10.640 -6.121 1.00 0.00 C ATOM 0 H LEU A 83 69.415 -12.527 -1.704 1.00 0.00 H new ATOM 0 HA LEU A 83 67.779 -12.698 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 83 68.568 -10.509 -2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 83 70.123 -10.859 -3.595 1.00 0.00 H new ATOM 0 HG LEU A 83 67.613 -10.785 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 83 68.095 -8.399 -5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 83 67.700 -8.651 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 83 69.393 -8.425 -4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 83 69.268 -10.186 -7.054 1.00 0.00 H new ATOM 0 HD22 LEU A 83 70.566 -10.216 -5.837 1.00 0.00 H new ATOM 0 HD23 LEU A 83 69.706 -11.716 -6.258 1.00 0.00 H new ATOM 1354 N PRO A 84 69.433 -14.209 -5.296 1.00 0.00 N ATOM 1355 CA PRO A 84 70.442 -15.012 -6.040 1.00 0.00 C ATOM 1356 C PRO A 84 71.201 -14.126 -7.034 1.00 0.00 C ATOM 1357 O PRO A 84 72.394 -13.952 -6.851 1.00 0.00 O ATOM 1358 CB PRO A 84 69.611 -16.066 -6.772 1.00 0.00 C ATOM 1359 CG PRO A 84 68.229 -15.500 -6.848 1.00 0.00 C ATOM 1360 CD PRO A 84 68.058 -14.589 -5.661 1.00 0.00 C ATOM 1361 OXT PRO A 84 70.574 -13.637 -7.960 1.00 0.00 O ATOM 0 HA PRO A 84 71.195 -15.456 -5.389 1.00 0.00 H new ATOM 0 HB2 PRO A 84 70.011 -16.260 -7.767 1.00 0.00 H new ATOM 0 HB3 PRO A 84 69.618 -17.014 -6.235 1.00 0.00 H new ATOM 0 HG2 PRO A 84 68.088 -14.950 -7.779 1.00 0.00 H new ATOM 0 HG3 PRO A 84 67.485 -16.297 -6.833 1.00 0.00 H new ATOM 0 HD2 PRO A 84 67.457 -13.715 -5.913 1.00 0.00 H new ATOM 0 HD3 PRO A 84 67.554 -15.097 -4.839 1.00 0.00 H new TER 1369 PRO A 84