USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 676 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 46 SER OG : rot -120:sc= 0.141 USER MOD Set 1.2: A 74 GLN : amide:sc= -0.399 K(o=-0.26,f=-1.1) USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= -0.729 USER MOD Set 2.2: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLN : amide:sc= -1.37 X(o=-1.4,f=-1.4) USER MOD Single : A 1 GLN N :NH3+ 163:sc= -0.67 (180deg=-1.6) USER MOD Single : A 5 MET CE :methyl -126:sc= -0.0322 (180deg=-0.66) USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00535) USER MOD Single : A 8 LYS NZ :NH3+ 157:sc= -0.0991 (180deg=-0.811) USER MOD Single : A 9 CYS SG : rot 160:sc= -0.273 USER MOD Single : A 14 THR OG1 : rot 68:sc= 0.561 USER MOD Single : A 17 CYS SG : rot -29:sc= 0.596 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.125 X(o=-0.12,f=-0.017) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 33 ASN : amide:sc= -0.836 X(o=-0.84,f=-1) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -80:sc= 1.26 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 78:sc= 0.201 USER MOD Single : A 45 SER OG : rot 180:sc= -0.0357 USER MOD Single : A 53 GLN : amide:sc= -0.578 X(o=-0.58,f=-0.97) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 100:sc= 1.28 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA GLN A 1 2.092 0.001 -1.242 1.00 0.00 C ATOM 3 C GLN A 1 1.179 -0.224 -2.443 1.00 0.00 C ATOM 4 O GLN A 1 1.613 -0.726 -3.480 1.00 0.00 O ATOM 5 CB GLN A 1 3.175 -1.079 -1.201 1.00 0.00 C ATOM 6 CG GLN A 1 2.632 -2.475 -0.942 1.00 0.00 C ATOM 7 CD GLN A 1 2.353 -2.729 0.527 1.00 0.00 C ATOM 8 OE1 GLN A 1 3.216 -2.522 1.380 1.00 0.00 O ATOM 9 NE2 GLN A 1 1.141 -3.181 0.829 1.00 0.00 N ATOM 0 H1 GLN A 1 1.975 -0.135 0.804 1.00 0.00 H new ATOM 0 H2 GLN A 1 0.833 0.908 0.103 1.00 0.00 H new ATOM 0 H3 GLN A 1 0.635 -0.774 -0.020 1.00 0.00 H new ATOM 0 HA GLN A 1 2.565 0.977 -1.347 1.00 0.00 H new ATOM 0 HB2 GLN A 1 3.714 -1.078 -2.149 1.00 0.00 H new ATOM 0 HB3 GLN A 1 3.897 -0.829 -0.423 1.00 0.00 H new ATOM 0 HG2 GLN A 1 1.714 -2.615 -1.512 1.00 0.00 H new ATOM 0 HG3 GLN A 1 3.348 -3.212 -1.305 1.00 0.00 H new ATOM 0 HE21 GLN A 1 0.456 -3.338 0.089 1.00 0.00 H new ATOM 0 HE22 GLN A 1 0.895 -3.371 1.801 1.00 0.00 H new ATOM 18 N ARG A 2 -0.087 0.151 -2.295 1.00 0.00 N ATOM 19 CA ARG A 2 -1.062 -0.011 -3.366 1.00 0.00 C ATOM 20 C ARG A 2 -0.586 0.676 -4.643 1.00 0.00 C ATOM 21 O ARG A 2 -0.725 0.134 -5.739 1.00 0.00 O ATOM 22 CB ARG A 2 -2.417 0.560 -2.943 1.00 0.00 C ATOM 23 CG ARG A 2 -3.467 0.515 -4.041 1.00 0.00 C ATOM 24 CD ARG A 2 -4.873 0.625 -3.472 1.00 0.00 C ATOM 25 NE ARG A 2 -5.263 -0.577 -2.739 1.00 0.00 N ATOM 26 CZ ARG A 2 -6.344 -0.652 -1.971 1.00 0.00 C ATOM 27 NH1 ARG A 2 -7.139 0.401 -1.837 1.00 0.00 N ATOM 28 NH2 ARG A 2 -6.632 -1.781 -1.337 1.00 0.00 N ATOM 0 H ARG A 2 -0.462 0.569 -1.443 1.00 0.00 H new ATOM 0 HA ARG A 2 -1.171 -1.077 -3.565 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.782 0.004 -2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.282 1.593 -2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.294 1.329 -4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.371 -0.416 -4.600 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.929 1.488 -2.809 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.580 0.800 -4.283 1.00 0.00 H new ATOM 0 HE ARG A 2 -4.672 -1.404 -2.822 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.921 1.270 -2.324 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.969 0.342 -1.247 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.023 -2.593 -1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.462 -1.837 -0.747 1.00 0.00 H new ATOM 42 N GLU A 3 -0.024 1.871 -4.492 1.00 0.00 N ATOM 43 CA GLU A 3 0.471 2.631 -5.634 1.00 0.00 C ATOM 44 C GLU A 3 1.467 1.807 -6.445 1.00 0.00 C ATOM 45 O GLU A 3 1.519 1.910 -7.670 1.00 0.00 O ATOM 46 CB GLU A 3 1.130 3.929 -5.163 1.00 0.00 C ATOM 47 CG GLU A 3 0.142 4.962 -4.647 1.00 0.00 C ATOM 48 CD GLU A 3 -0.200 4.761 -3.183 1.00 0.00 C ATOM 49 OE1 GLU A 3 0.699 4.940 -2.335 1.00 0.00 O ATOM 50 OE2 GLU A 3 -1.366 4.426 -2.886 1.00 0.00 O ATOM 0 H GLU A 3 0.100 2.333 -3.591 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.378 2.874 -6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.846 3.698 -4.374 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.695 4.360 -5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 3 0.559 5.959 -4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -0.771 4.914 -5.240 1.00 0.00 H new ATOM 57 N GLU A 4 2.254 0.991 -5.752 1.00 0.00 N ATOM 58 CA GLU A 4 3.249 0.151 -6.408 1.00 0.00 C ATOM 59 C GLU A 4 2.580 -0.875 -7.318 1.00 0.00 C ATOM 60 O GLU A 4 2.987 -1.063 -8.464 1.00 0.00 O ATOM 61 CB GLU A 4 4.114 -0.562 -5.367 1.00 0.00 C ATOM 62 CG GLU A 4 4.687 0.370 -4.312 1.00 0.00 C ATOM 63 CD GLU A 4 5.636 1.399 -4.895 1.00 0.00 C ATOM 64 OE1 GLU A 4 6.679 0.998 -5.451 1.00 0.00 O ATOM 65 OE2 GLU A 4 5.333 2.607 -4.795 1.00 0.00 O ATOM 0 H GLU A 4 2.222 0.894 -4.737 1.00 0.00 H new ATOM 0 HA GLU A 4 3.884 0.794 -7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.517 -1.331 -4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.934 -1.071 -5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.870 0.882 -3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.213 -0.218 -3.560 1.00 0.00 H new ATOM 72 N MET A 5 1.552 -1.537 -6.797 1.00 0.00 N ATOM 73 CA MET A 5 0.825 -2.544 -7.562 1.00 0.00 C ATOM 74 C MET A 5 0.133 -1.917 -8.768 1.00 0.00 C ATOM 75 O MET A 5 0.167 -2.464 -9.870 1.00 0.00 O ATOM 76 CB MET A 5 -0.206 -3.244 -6.675 1.00 0.00 C ATOM 77 CG MET A 5 0.351 -4.444 -5.926 1.00 0.00 C ATOM 78 SD MET A 5 1.198 -3.980 -4.403 1.00 0.00 S ATOM 79 CE MET A 5 -0.144 -4.094 -3.222 1.00 0.00 C ATOM 0 H MET A 5 1.204 -1.395 -5.849 1.00 0.00 H new ATOM 0 HA MET A 5 1.545 -3.280 -7.921 1.00 0.00 H new ATOM 0 HB2 MET A 5 -0.600 -2.527 -5.954 1.00 0.00 H new ATOM 0 HB3 MET A 5 -1.044 -3.568 -7.292 1.00 0.00 H new ATOM 0 HG2 MET A 5 -0.463 -5.130 -5.690 1.00 0.00 H new ATOM 0 HG3 MET A 5 1.044 -4.982 -6.573 1.00 0.00 H new ATOM 0 HE1 MET A 5 -0.230 -3.154 -2.677 1.00 0.00 H new ATOM 0 HE2 MET A 5 -1.077 -4.294 -3.749 1.00 0.00 H new ATOM 0 HE3 MET A 5 0.057 -4.903 -2.520 1.00 0.00 H new ATOM 89 N VAL A 6 -0.494 -0.765 -8.552 1.00 0.00 N ATOM 90 CA VAL A 6 -1.193 -0.063 -9.621 1.00 0.00 C ATOM 91 C VAL A 6 -0.218 0.430 -10.685 1.00 0.00 C ATOM 92 O VAL A 6 -0.444 0.249 -11.882 1.00 0.00 O ATOM 93 CB VAL A 6 -1.991 1.137 -9.077 1.00 0.00 C ATOM 94 CG1 VAL A 6 -2.682 1.878 -10.212 1.00 0.00 C ATOM 95 CG2 VAL A 6 -3.001 0.677 -8.037 1.00 0.00 C ATOM 0 H VAL A 6 -0.532 -0.298 -7.646 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.884 -0.777 -10.069 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.296 1.825 -8.596 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.241 2.722 -9.808 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.935 2.241 -10.917 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.366 1.202 -10.725 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.556 1.537 -7.663 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.693 -0.032 -8.491 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.478 0.195 -7.210 1.00 0.00 H new ATOM 105 N LYS A 7 0.868 1.053 -10.241 1.00 0.00 N ATOM 106 CA LYS A 7 1.881 1.571 -11.153 1.00 0.00 C ATOM 107 C LYS A 7 2.464 0.452 -12.010 1.00 0.00 C ATOM 108 O LYS A 7 2.623 0.601 -13.222 1.00 0.00 O ATOM 109 CB LYS A 7 2.998 2.262 -10.368 1.00 0.00 C ATOM 110 CG LYS A 7 2.691 3.708 -10.020 1.00 0.00 C ATOM 111 CD LYS A 7 3.829 4.349 -9.244 1.00 0.00 C ATOM 112 CE LYS A 7 3.366 5.591 -8.498 1.00 0.00 C ATOM 113 NZ LYS A 7 2.917 6.662 -9.430 1.00 0.00 N ATOM 0 H LYS A 7 1.070 1.212 -9.254 1.00 0.00 H new ATOM 0 HA LYS A 7 1.405 2.298 -11.811 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.182 1.707 -9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.918 2.225 -10.952 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.510 4.273 -10.935 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.776 3.755 -9.430 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.238 3.629 -8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.634 4.614 -9.929 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.549 5.328 -7.826 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.180 5.967 -7.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.641 7.504 -8.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.694 6.907 -10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.102 6.324 -9.980 1.00 0.00 H new ATOM 127 N LYS A 8 2.782 -0.671 -11.373 1.00 0.00 N ATOM 128 CA LYS A 8 3.345 -1.817 -12.077 1.00 0.00 C ATOM 129 C LYS A 8 2.347 -2.384 -13.080 1.00 0.00 C ATOM 130 O LYS A 8 2.701 -2.682 -14.221 1.00 0.00 O ATOM 131 CB LYS A 8 3.755 -2.902 -11.079 1.00 0.00 C ATOM 132 CG LYS A 8 4.936 -3.738 -11.540 1.00 0.00 C ATOM 133 CD LYS A 8 4.485 -4.939 -12.356 1.00 0.00 C ATOM 134 CE LYS A 8 4.220 -6.146 -11.469 1.00 0.00 C ATOM 135 NZ LYS A 8 2.815 -6.175 -10.977 1.00 0.00 N ATOM 0 H LYS A 8 2.659 -0.811 -10.370 1.00 0.00 H new ATOM 0 HA LYS A 8 4.227 -1.480 -12.621 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.002 -2.433 -10.127 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.904 -3.559 -10.899 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.607 -3.122 -12.138 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.503 -4.078 -10.673 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.580 -4.686 -12.908 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.249 -5.188 -13.093 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.428 -7.059 -12.027 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.902 -6.129 -10.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.556 -7.150 -10.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.728 -5.564 -10.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.178 -5.832 -11.724 1.00 0.00 H new ATOM 149 N CYS A 9 1.099 -2.529 -12.649 1.00 0.00 N ATOM 150 CA CYS A 9 0.049 -3.060 -13.510 1.00 0.00 C ATOM 151 C CYS A 9 -0.084 -2.228 -14.782 1.00 0.00 C ATOM 152 O CYS A 9 -0.076 -2.764 -15.891 1.00 0.00 O ATOM 153 CB CYS A 9 -1.286 -3.089 -12.764 1.00 0.00 C ATOM 154 SG CYS A 9 -2.586 -4.015 -13.613 1.00 0.00 S ATOM 0 H CYS A 9 0.790 -2.286 -11.708 1.00 0.00 H new ATOM 0 HA CYS A 9 0.323 -4.077 -13.789 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.129 -3.525 -11.777 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.626 -2.065 -12.609 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.509 -4.348 -12.760 1.00 0.00 H new ATOM 160 N LEU A 10 -0.208 -0.916 -14.614 1.00 0.00 N ATOM 161 CA LEU A 10 -0.344 -0.009 -15.748 1.00 0.00 C ATOM 162 C LEU A 10 0.886 -0.073 -16.647 1.00 0.00 C ATOM 163 O LEU A 10 0.771 -0.141 -17.870 1.00 0.00 O ATOM 164 CB LEU A 10 -0.557 1.424 -15.257 1.00 0.00 C ATOM 165 CG LEU A 10 -1.921 1.724 -14.635 1.00 0.00 C ATOM 166 CD1 LEU A 10 -2.003 3.181 -14.206 1.00 0.00 C ATOM 167 CD2 LEU A 10 -3.039 1.390 -15.612 1.00 0.00 C ATOM 0 H LEU A 10 -0.217 -0.457 -13.703 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.212 -0.321 -16.329 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.214 1.653 -14.521 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.406 2.101 -16.098 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.041 1.098 -13.750 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.981 3.376 -13.766 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.226 3.388 -13.470 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.861 3.824 -15.074 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.002 1.610 -15.152 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.923 1.989 -16.516 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.993 0.332 -15.869 1.00 0.00 H new ATOM 179 N GLY A 11 2.065 -0.054 -16.032 1.00 0.00 N ATOM 180 CA GLY A 11 3.299 -0.112 -16.792 1.00 0.00 C ATOM 181 C GLY A 11 3.367 -1.328 -17.695 1.00 0.00 C ATOM 182 O GLY A 11 3.765 -1.225 -18.855 1.00 0.00 O ATOM 0 H GLY A 11 2.187 0.001 -15.021 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.393 0.791 -17.396 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.145 -0.126 -16.105 1.00 0.00 H new ATOM 186 N GLU A 12 2.979 -2.482 -17.162 1.00 0.00 N ATOM 187 CA GLU A 12 3.000 -3.722 -17.928 1.00 0.00 C ATOM 188 C GLU A 12 1.890 -3.734 -18.975 1.00 0.00 C ATOM 189 O GLU A 12 2.065 -4.258 -20.076 1.00 0.00 O ATOM 190 CB GLU A 12 2.849 -4.926 -16.996 1.00 0.00 C ATOM 191 CG GLU A 12 4.146 -5.338 -16.319 1.00 0.00 C ATOM 192 CD GLU A 12 5.008 -6.223 -17.198 1.00 0.00 C ATOM 193 OE1 GLU A 12 4.448 -6.919 -18.070 1.00 0.00 O ATOM 194 OE2 GLU A 12 6.243 -6.218 -17.013 1.00 0.00 O ATOM 0 H GLU A 12 2.646 -2.584 -16.203 1.00 0.00 H new ATOM 0 HA GLU A 12 3.960 -3.786 -18.440 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.108 -4.692 -16.231 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.463 -5.770 -17.567 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.709 -4.445 -16.046 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.916 -5.865 -15.393 1.00 0.00 H new ATOM 201 N LEU A 13 0.748 -3.154 -18.624 1.00 0.00 N ATOM 202 CA LEU A 13 -0.392 -3.097 -19.533 1.00 0.00 C ATOM 203 C LEU A 13 -0.081 -2.224 -20.744 1.00 0.00 C ATOM 204 O LEU A 13 -0.575 -2.469 -21.844 1.00 0.00 O ATOM 205 CB LEU A 13 -1.624 -2.557 -18.804 1.00 0.00 C ATOM 206 CG LEU A 13 -2.918 -3.350 -18.994 1.00 0.00 C ATOM 207 CD1 LEU A 13 -2.723 -4.798 -18.571 1.00 0.00 C ATOM 208 CD2 LEU A 13 -4.055 -2.712 -18.210 1.00 0.00 C ATOM 0 H LEU A 13 0.586 -2.717 -17.717 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.598 -4.109 -19.882 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.401 -2.514 -17.738 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.797 -1.533 -19.135 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.180 -3.334 -20.052 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.654 -5.347 -18.713 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.938 -5.251 -19.177 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.437 -4.835 -17.520 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.968 -3.290 -18.357 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.802 -2.697 -17.150 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.211 -1.692 -18.561 1.00 0.00 H new ATOM 220 N THR A 14 0.745 -1.203 -20.534 1.00 0.00 N ATOM 221 CA THR A 14 1.124 -0.293 -21.608 1.00 0.00 C ATOM 222 C THR A 14 1.947 -1.011 -22.671 1.00 0.00 C ATOM 223 O THR A 14 1.667 -0.901 -23.864 1.00 0.00 O ATOM 224 CB THR A 14 1.931 0.904 -21.071 1.00 0.00 C ATOM 225 OG1 THR A 14 1.125 1.676 -20.174 1.00 0.00 O ATOM 226 CG2 THR A 14 2.415 1.786 -22.213 1.00 0.00 C ATOM 0 H THR A 14 1.164 -0.986 -19.630 1.00 0.00 H new ATOM 0 HA THR A 14 0.199 0.073 -22.054 1.00 0.00 H new ATOM 0 HB THR A 14 2.800 0.518 -20.537 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.946 1.154 -19.364 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.982 2.625 -21.810 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.052 1.203 -22.878 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.557 2.163 -22.770 1.00 0.00 H new ATOM 234 N GLU A 15 2.964 -1.746 -22.230 1.00 0.00 N ATOM 235 CA GLU A 15 3.827 -2.481 -23.147 1.00 0.00 C ATOM 236 C GLU A 15 3.065 -3.620 -23.817 1.00 0.00 C ATOM 237 O GLU A 15 3.245 -3.888 -25.005 1.00 0.00 O ATOM 238 CB GLU A 15 5.043 -3.036 -22.402 1.00 0.00 C ATOM 239 CG GLU A 15 4.687 -3.790 -21.131 1.00 0.00 C ATOM 240 CD GLU A 15 5.885 -4.477 -20.505 1.00 0.00 C ATOM 241 OE1 GLU A 15 6.668 -3.793 -19.813 1.00 0.00 O ATOM 242 OE2 GLU A 15 6.039 -5.700 -20.708 1.00 0.00 O ATOM 0 H GLU A 15 3.210 -1.848 -21.245 1.00 0.00 H new ATOM 0 HA GLU A 15 4.166 -1.790 -23.919 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.593 -3.702 -23.067 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.711 -2.213 -22.151 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.254 -3.096 -20.411 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.923 -4.534 -21.356 1.00 0.00 H new ATOM 249 N VAL A 16 2.212 -4.288 -23.046 1.00 0.00 N ATOM 250 CA VAL A 16 1.421 -5.398 -23.564 1.00 0.00 C ATOM 251 C VAL A 16 0.438 -4.923 -24.627 1.00 0.00 C ATOM 252 O VAL A 16 0.336 -5.515 -25.703 1.00 0.00 O ATOM 253 CB VAL A 16 0.642 -6.105 -22.439 1.00 0.00 C ATOM 254 CG1 VAL A 16 -0.306 -7.144 -23.018 1.00 0.00 C ATOM 255 CG2 VAL A 16 1.602 -6.742 -21.445 1.00 0.00 C ATOM 0 H VAL A 16 2.051 -4.080 -22.061 1.00 0.00 H new ATOM 0 HA VAL A 16 2.121 -6.104 -24.010 1.00 0.00 H new ATOM 0 HB VAL A 16 0.048 -5.361 -21.909 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.848 -7.633 -22.209 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.015 -6.657 -23.687 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.265 -7.888 -23.574 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.034 -7.237 -20.657 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.225 -7.475 -21.959 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.236 -5.971 -21.006 1.00 0.00 H new ATOM 265 N CYS A 17 -0.284 -3.851 -24.321 1.00 0.00 N ATOM 266 CA CYS A 17 -1.261 -3.295 -25.251 1.00 0.00 C ATOM 267 C CYS A 17 -0.567 -2.622 -26.430 1.00 0.00 C ATOM 268 O CYS A 17 -1.115 -2.553 -27.531 1.00 0.00 O ATOM 269 CB CYS A 17 -2.164 -2.291 -24.534 1.00 0.00 C ATOM 270 SG CYS A 17 -1.385 -0.689 -24.222 1.00 0.00 S ATOM 0 H CYS A 17 -0.211 -3.349 -23.436 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.871 -4.114 -25.632 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.063 -2.136 -25.131 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.483 -2.719 -23.584 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.103 -0.850 -24.079 1.00 0.00 H new ATOM 276 N LYS A 18 0.642 -2.125 -26.194 1.00 0.00 N ATOM 277 CA LYS A 18 1.413 -1.457 -27.235 1.00 0.00 C ATOM 278 C LYS A 18 1.887 -2.455 -28.287 1.00 0.00 C ATOM 279 O LYS A 18 1.744 -2.222 -29.487 1.00 0.00 O ATOM 280 CB LYS A 18 2.615 -0.733 -26.624 1.00 0.00 C ATOM 281 CG LYS A 18 3.474 -0.010 -27.647 1.00 0.00 C ATOM 282 CD LYS A 18 2.834 1.295 -28.090 1.00 0.00 C ATOM 283 CE LYS A 18 3.072 2.405 -27.077 1.00 0.00 C ATOM 284 NZ LYS A 18 2.671 3.737 -27.609 1.00 0.00 N ATOM 0 H LYS A 18 1.110 -2.172 -25.289 1.00 0.00 H new ATOM 0 HA LYS A 18 0.765 -0.726 -27.719 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.259 -0.013 -25.887 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.232 -1.456 -26.091 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.457 0.192 -27.221 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.628 -0.653 -28.513 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.240 1.591 -29.057 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.762 1.148 -28.226 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.510 2.193 -26.167 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.127 2.426 -26.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.849 4.466 -26.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.225 3.951 -28.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.659 3.725 -27.847 1.00 0.00 H new ATOM 298 N SER A 19 2.452 -3.567 -27.828 1.00 0.00 N ATOM 299 CA SER A 19 2.950 -4.599 -28.729 1.00 0.00 C ATOM 300 C SER A 19 1.797 -5.304 -29.438 1.00 0.00 C ATOM 301 O SER A 19 1.836 -5.518 -30.650 1.00 0.00 O ATOM 302 CB SER A 19 3.788 -5.620 -27.957 1.00 0.00 C ATOM 303 OG SER A 19 4.685 -6.300 -28.818 1.00 0.00 O ATOM 0 H SER A 19 2.576 -3.776 -26.837 1.00 0.00 H new ATOM 0 HA SER A 19 3.577 -4.118 -29.480 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.347 -5.115 -27.170 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.131 -6.340 -27.469 1.00 0.00 H new ATOM 0 HG SER A 19 5.210 -6.945 -28.300 1.00 0.00 H new ATOM 309 N LEU A 20 0.771 -5.662 -28.673 1.00 0.00 N ATOM 310 CA LEU A 20 -0.394 -6.343 -29.226 1.00 0.00 C ATOM 311 C LEU A 20 -1.163 -5.425 -30.171 1.00 0.00 C ATOM 312 O LEU A 20 -1.629 -5.854 -31.226 1.00 0.00 O ATOM 313 CB LEU A 20 -1.313 -6.820 -28.099 1.00 0.00 C ATOM 314 CG LEU A 20 -0.984 -8.187 -27.498 1.00 0.00 C ATOM 315 CD1 LEU A 20 -1.918 -8.499 -26.339 1.00 0.00 C ATOM 316 CD2 LEU A 20 -1.070 -9.272 -28.562 1.00 0.00 C ATOM 0 H LEU A 20 0.723 -5.492 -27.668 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.045 -7.207 -29.792 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.290 -6.079 -27.300 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.335 -6.848 -28.478 1.00 0.00 H new ATOM 0 HG LEU A 20 0.037 -8.159 -27.118 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.669 -9.476 -25.924 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.807 -7.737 -25.567 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.948 -8.508 -26.694 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.833 -10.238 -28.116 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.079 -9.300 -28.973 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.360 -9.056 -29.360 1.00 0.00 H new ATOM 328 N GLY A 21 -1.291 -4.159 -29.785 1.00 0.00 N ATOM 329 CA GLY A 21 -2.003 -3.201 -30.610 1.00 0.00 C ATOM 330 C GLY A 21 -1.234 -2.830 -31.862 1.00 0.00 C ATOM 331 O GLY A 21 -1.828 -2.550 -32.904 1.00 0.00 O ATOM 0 H GLY A 21 -0.914 -3.780 -28.916 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.971 -3.617 -30.891 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.200 -2.301 -30.028 1.00 0.00 H new ATOM 335 N LYS A 22 0.091 -2.827 -31.763 1.00 0.00 N ATOM 336 CA LYS A 22 0.943 -2.488 -32.896 1.00 0.00 C ATOM 337 C LYS A 22 0.952 -3.613 -33.926 1.00 0.00 C ATOM 338 O LYS A 22 0.803 -3.373 -35.124 1.00 0.00 O ATOM 339 CB LYS A 22 2.370 -2.206 -32.421 1.00 0.00 C ATOM 340 CG LYS A 22 3.429 -2.492 -33.472 1.00 0.00 C ATOM 341 CD LYS A 22 4.654 -1.614 -33.282 1.00 0.00 C ATOM 342 CE LYS A 22 5.901 -2.265 -33.860 1.00 0.00 C ATOM 343 NZ LYS A 22 5.992 -2.076 -35.335 1.00 0.00 N ATOM 0 H LYS A 22 0.598 -3.056 -30.908 1.00 0.00 H new ATOM 0 HA LYS A 22 0.539 -1.592 -33.367 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.443 -1.161 -32.118 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.575 -2.809 -31.537 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.720 -3.541 -33.420 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.012 -2.326 -34.465 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.490 -0.649 -33.762 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.803 -1.420 -32.220 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.786 -1.842 -33.384 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.894 -3.330 -33.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.855 -2.534 -35.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.160 -2.502 -35.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.024 -1.060 -35.553 1.00 0.00 H new ATOM 357 N VAL A 23 1.126 -4.843 -33.451 1.00 0.00 N ATOM 358 CA VAL A 23 1.152 -6.005 -34.331 1.00 0.00 C ATOM 359 C VAL A 23 -0.230 -6.288 -34.908 1.00 0.00 C ATOM 360 O VAL A 23 -0.365 -6.643 -36.080 1.00 0.00 O ATOM 361 CB VAL A 23 1.653 -7.259 -33.589 1.00 0.00 C ATOM 362 CG1 VAL A 23 3.100 -7.081 -33.156 1.00 0.00 C ATOM 363 CG2 VAL A 23 0.762 -7.561 -32.393 1.00 0.00 C ATOM 0 H VAL A 23 1.251 -5.060 -32.462 1.00 0.00 H new ATOM 0 HA VAL A 23 1.841 -5.772 -35.143 1.00 0.00 H new ATOM 0 HB VAL A 23 1.606 -8.108 -34.272 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.436 -7.977 -32.634 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.725 -6.917 -34.034 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.177 -6.222 -32.490 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.130 -8.450 -31.880 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.775 -6.714 -31.707 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.258 -7.736 -32.734 1.00 0.00 H new ATOM 373 N PHE A 24 -1.256 -6.127 -34.079 1.00 0.00 N ATOM 374 CA PHE A 24 -2.630 -6.365 -34.507 1.00 0.00 C ATOM 375 C PHE A 24 -3.019 -5.418 -35.639 1.00 0.00 C ATOM 376 O PHE A 24 -3.961 -5.680 -36.385 1.00 0.00 O ATOM 377 CB PHE A 24 -3.591 -6.192 -33.329 1.00 0.00 C ATOM 378 CG PHE A 24 -5.014 -6.537 -33.661 1.00 0.00 C ATOM 379 CD1 PHE A 24 -5.317 -7.706 -34.341 1.00 0.00 C ATOM 380 CD2 PHE A 24 -6.050 -5.693 -33.293 1.00 0.00 C ATOM 381 CE1 PHE A 24 -6.626 -8.025 -34.648 1.00 0.00 C ATOM 382 CE2 PHE A 24 -7.361 -6.008 -33.597 1.00 0.00 C ATOM 383 CZ PHE A 24 -7.649 -7.176 -34.275 1.00 0.00 C ATOM 0 H PHE A 24 -1.162 -5.833 -33.107 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.697 -7.389 -34.874 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.257 -6.819 -32.503 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.547 -5.159 -32.983 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.521 -8.375 -34.634 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.830 -4.778 -32.762 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.849 -8.938 -35.180 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.159 -5.342 -33.305 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.673 -7.425 -34.513 1.00 0.00 H new ATOM 393 N GLY A 25 -2.285 -4.316 -35.759 1.00 0.00 N ATOM 394 CA GLY A 25 -2.568 -3.347 -36.801 1.00 0.00 C ATOM 395 C GLY A 25 -3.551 -2.284 -36.353 1.00 0.00 C ATOM 396 O GLY A 25 -4.441 -1.893 -37.108 1.00 0.00 O ATOM 0 H GLY A 25 -1.500 -4.077 -35.153 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.638 -2.870 -37.111 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.968 -3.863 -37.674 1.00 0.00 H new ATOM 400 N VAL A 26 -3.392 -1.815 -35.119 1.00 0.00 N ATOM 401 CA VAL A 26 -4.273 -0.792 -34.570 1.00 0.00 C ATOM 402 C VAL A 26 -3.528 0.105 -33.588 1.00 0.00 C ATOM 403 O VAL A 26 -2.320 -0.035 -33.396 1.00 0.00 O ATOM 404 CB VAL A 26 -5.486 -1.418 -33.858 1.00 0.00 C ATOM 405 CG1 VAL A 26 -6.322 -2.227 -34.838 1.00 0.00 C ATOM 406 CG2 VAL A 26 -5.031 -2.283 -32.692 1.00 0.00 C ATOM 0 H VAL A 26 -2.661 -2.128 -34.481 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.624 -0.193 -35.410 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.108 -0.615 -33.464 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.175 -2.662 -34.316 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.678 -1.576 -35.636 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.713 -3.024 -35.265 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.901 -2.718 -32.200 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.386 -3.081 -33.061 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.479 -1.671 -31.979 1.00 0.00 H new ATOM 416 N HIS A 27 -4.257 1.028 -32.967 1.00 0.00 N ATOM 417 CA HIS A 27 -3.665 1.948 -32.003 1.00 0.00 C ATOM 418 C HIS A 27 -4.096 1.597 -30.582 1.00 0.00 C ATOM 419 O HIS A 27 -5.144 0.984 -30.373 1.00 0.00 O ATOM 420 CB HIS A 27 -4.065 3.387 -32.328 1.00 0.00 C ATOM 421 CG HIS A 27 -3.268 3.994 -33.441 1.00 0.00 C ATOM 422 ND1 HIS A 27 -3.770 4.960 -34.287 1.00 0.00 N ATOM 423 CD2 HIS A 27 -1.996 3.767 -33.844 1.00 0.00 C ATOM 424 CE1 HIS A 27 -2.842 5.300 -35.164 1.00 0.00 C ATOM 425 NE2 HIS A 27 -1.755 4.591 -34.916 1.00 0.00 N ATOM 0 H HIS A 27 -5.258 1.158 -33.115 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.581 1.856 -32.069 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.122 3.410 -32.594 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.948 3.999 -31.433 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -1.300 3.068 -33.404 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.953 6.033 -35.950 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -0.879 4.647 -35.436 1.00 0.00 H new ATOM 433 N TYR A 28 -3.281 1.987 -29.608 1.00 0.00 N ATOM 434 CA TYR A 28 -3.576 1.710 -28.207 1.00 0.00 C ATOM 435 C TYR A 28 -4.948 2.253 -27.822 1.00 0.00 C ATOM 436 O TYR A 28 -5.688 1.624 -27.065 1.00 0.00 O ATOM 437 CB TYR A 28 -2.501 2.323 -27.308 1.00 0.00 C ATOM 438 CG TYR A 28 -2.383 3.825 -27.442 1.00 0.00 C ATOM 439 CD1 TYR A 28 -1.548 4.393 -28.396 1.00 0.00 C ATOM 440 CD2 TYR A 28 -3.106 4.675 -26.615 1.00 0.00 C ATOM 441 CE1 TYR A 28 -1.437 5.764 -28.523 1.00 0.00 C ATOM 442 CE2 TYR A 28 -3.002 6.048 -26.735 1.00 0.00 C ATOM 443 CZ TYR A 28 -2.166 6.587 -27.690 1.00 0.00 C ATOM 444 OH TYR A 28 -2.058 7.953 -27.812 1.00 0.00 O ATOM 0 H TYR A 28 -2.411 2.496 -29.763 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.582 0.629 -28.069 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.723 2.076 -26.270 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.539 1.869 -27.545 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.976 3.751 -29.050 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.761 4.256 -25.865 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.783 6.189 -29.270 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.572 6.695 -26.085 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.638 8.387 -27.152 1.00 0.00 H new ATOM 454 N PHE A 29 -5.283 3.426 -28.350 1.00 0.00 N ATOM 455 CA PHE A 29 -6.566 4.056 -28.062 1.00 0.00 C ATOM 456 C PHE A 29 -7.698 3.347 -28.801 1.00 0.00 C ATOM 457 O PHE A 29 -8.872 3.530 -28.482 1.00 0.00 O ATOM 458 CB PHE A 29 -6.533 5.534 -28.456 1.00 0.00 C ATOM 459 CG PHE A 29 -7.008 6.455 -27.368 1.00 0.00 C ATOM 460 CD1 PHE A 29 -6.442 6.405 -26.104 1.00 0.00 C ATOM 461 CD2 PHE A 29 -8.019 7.370 -27.610 1.00 0.00 C ATOM 462 CE1 PHE A 29 -6.878 7.250 -25.101 1.00 0.00 C ATOM 463 CE2 PHE A 29 -8.459 8.219 -26.611 1.00 0.00 C ATOM 464 CZ PHE A 29 -7.887 8.159 -25.355 1.00 0.00 C ATOM 0 H PHE A 29 -4.683 3.959 -28.980 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.749 3.977 -26.990 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.514 5.806 -28.732 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.153 5.680 -29.341 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.651 5.698 -25.900 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.469 7.421 -28.590 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.430 7.200 -24.119 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.249 8.928 -26.812 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.228 8.821 -24.573 1.00 0.00 H new ATOM 474 N ASN A 30 -7.334 2.538 -29.791 1.00 0.00 N ATOM 475 CA ASN A 30 -8.318 1.802 -30.577 1.00 0.00 C ATOM 476 C ASN A 30 -8.654 0.468 -29.917 1.00 0.00 C ATOM 477 O ASN A 30 -9.670 -0.152 -30.230 1.00 0.00 O ATOM 478 CB ASN A 30 -7.795 1.565 -31.995 1.00 0.00 C ATOM 479 CG ASN A 30 -8.907 1.246 -32.976 1.00 0.00 C ATOM 480 OD1 ASN A 30 -9.401 0.120 -33.025 1.00 0.00 O ATOM 481 ND2 ASN A 30 -9.304 2.239 -33.762 1.00 0.00 N ATOM 0 H ASN A 30 -6.366 2.376 -30.068 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.227 2.401 -30.628 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.258 2.451 -32.334 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.079 0.744 -31.982 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.048 2.085 -34.442 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.865 3.157 -33.686 1.00 0.00 H new ATOM 488 N ILE A 31 -7.794 0.034 -29.002 1.00 0.00 N ATOM 489 CA ILE A 31 -8.000 -1.225 -28.297 1.00 0.00 C ATOM 490 C ILE A 31 -8.421 -0.983 -26.851 1.00 0.00 C ATOM 491 O ILE A 31 -9.220 -1.734 -26.292 1.00 0.00 O ATOM 492 CB ILE A 31 -6.728 -2.093 -28.311 1.00 0.00 C ATOM 493 CG1 ILE A 31 -5.518 -1.271 -27.862 1.00 0.00 C ATOM 494 CG2 ILE A 31 -6.497 -2.672 -29.699 1.00 0.00 C ATOM 495 CD1 ILE A 31 -4.234 -2.068 -27.803 1.00 0.00 C ATOM 0 H ILE A 31 -6.948 0.536 -28.732 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.796 -1.753 -28.821 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.862 -2.919 -27.612 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.385 -0.433 -28.546 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.720 -0.850 -26.877 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.594 -3.283 -29.693 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.350 -3.288 -29.983 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.381 -1.860 -30.417 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.419 -1.421 -27.477 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.349 -2.891 -27.097 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.008 -2.467 -28.792 1.00 0.00 H new ATOM 507 N PHE A 32 -7.879 0.072 -26.252 1.00 0.00 N ATOM 508 CA PHE A 32 -8.199 0.414 -24.871 1.00 0.00 C ATOM 509 C PHE A 32 -8.101 1.921 -24.647 1.00 0.00 C ATOM 510 O PHE A 32 -7.263 2.594 -25.245 1.00 0.00 O ATOM 511 CB PHE A 32 -7.259 -0.317 -23.911 1.00 0.00 C ATOM 512 CG PHE A 32 -7.704 -1.714 -23.584 1.00 0.00 C ATOM 513 CD1 PHE A 32 -8.981 -1.953 -23.103 1.00 0.00 C ATOM 514 CD2 PHE A 32 -6.846 -2.788 -23.758 1.00 0.00 C ATOM 515 CE1 PHE A 32 -9.393 -3.238 -22.800 1.00 0.00 C ATOM 516 CE2 PHE A 32 -7.252 -4.074 -23.458 1.00 0.00 C ATOM 517 CZ PHE A 32 -8.528 -4.300 -22.980 1.00 0.00 C ATOM 0 H PHE A 32 -7.217 0.705 -26.701 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.224 0.101 -24.674 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.262 -0.355 -24.350 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.179 0.256 -22.987 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.662 -1.127 -22.963 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.848 -2.618 -24.133 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.390 -3.411 -22.423 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.572 -4.902 -23.597 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.849 -5.305 -22.747 1.00 0.00 H new ATOM 527 N ASN A 33 -8.965 2.442 -23.782 1.00 0.00 N ATOM 528 CA ASN A 33 -8.977 3.869 -23.480 1.00 0.00 C ATOM 529 C ASN A 33 -8.364 4.139 -22.109 1.00 0.00 C ATOM 530 O ASN A 33 -8.249 3.237 -21.278 1.00 0.00 O ATOM 531 CB ASN A 33 -10.407 4.409 -23.528 1.00 0.00 C ATOM 532 CG ASN A 33 -10.456 5.888 -23.861 1.00 0.00 C ATOM 533 OD1 ASN A 33 -10.183 6.289 -24.993 1.00 0.00 O ATOM 534 ND2 ASN A 33 -10.804 6.705 -22.875 1.00 0.00 N ATOM 0 H ASN A 33 -9.665 1.898 -23.278 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.378 4.381 -24.233 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.978 3.853 -24.272 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.889 4.240 -22.565 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.854 7.710 -23.039 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.022 6.328 -21.953 1.00 0.00 H new ATOM 541 N THR A 34 -7.973 5.389 -21.878 1.00 0.00 N ATOM 542 CA THR A 34 -7.372 5.779 -20.609 1.00 0.00 C ATOM 543 C THR A 34 -8.244 5.352 -19.433 1.00 0.00 C ATOM 544 O THR A 34 -7.740 4.880 -18.414 1.00 0.00 O ATOM 545 CB THR A 34 -7.146 7.301 -20.539 1.00 0.00 C ATOM 546 OG1 THR A 34 -6.690 7.669 -19.232 1.00 0.00 O ATOM 547 CG2 THR A 34 -8.426 8.054 -20.866 1.00 0.00 C ATOM 0 H THR A 34 -8.062 6.148 -22.554 1.00 0.00 H new ATOM 0 HA THR A 34 -6.409 5.272 -20.547 1.00 0.00 H new ATOM 0 HB THR A 34 -6.389 7.568 -21.276 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.547 8.638 -19.196 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.241 9.127 -20.810 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.754 7.794 -21.873 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.201 7.781 -20.150 1.00 0.00 H new ATOM 555 N VAL A 35 -9.554 5.520 -19.582 1.00 0.00 N ATOM 556 CA VAL A 35 -10.496 5.149 -18.533 1.00 0.00 C ATOM 557 C VAL A 35 -10.475 3.646 -18.281 1.00 0.00 C ATOM 558 O VAL A 35 -10.393 3.198 -17.136 1.00 0.00 O ATOM 559 CB VAL A 35 -11.931 5.578 -18.891 1.00 0.00 C ATOM 560 CG1 VAL A 35 -12.899 5.177 -17.788 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.992 7.077 -19.144 1.00 0.00 C ATOM 0 H VAL A 35 -9.987 5.911 -20.419 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.183 5.670 -17.628 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.227 5.065 -19.806 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.908 5.488 -18.058 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.875 4.095 -17.659 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.608 5.660 -16.855 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.013 7.362 -19.396 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.677 7.610 -18.247 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.330 7.334 -19.971 1.00 0.00 H new ATOM 571 N THR A 36 -10.548 2.870 -19.357 1.00 0.00 N ATOM 572 CA THR A 36 -10.538 1.416 -19.253 1.00 0.00 C ATOM 573 C THR A 36 -9.295 0.926 -18.520 1.00 0.00 C ATOM 574 O THR A 36 -9.386 0.123 -17.590 1.00 0.00 O ATOM 575 CB THR A 36 -10.595 0.753 -20.643 1.00 0.00 C ATOM 576 OG1 THR A 36 -11.796 1.138 -21.320 1.00 0.00 O ATOM 577 CG2 THR A 36 -10.538 -0.762 -20.522 1.00 0.00 C ATOM 0 H THR A 36 -10.615 3.224 -20.311 1.00 0.00 H new ATOM 0 HA THR A 36 -11.426 1.133 -18.687 1.00 0.00 H new ATOM 0 HB THR A 36 -9.731 1.088 -21.217 1.00 0.00 H new ATOM 0 HG1 THR A 36 -12.544 0.594 -20.994 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.580 -1.208 -21.516 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.609 -1.053 -20.032 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.385 -1.112 -19.931 1.00 0.00 H new ATOM 585 N LEU A 37 -8.134 1.414 -18.942 1.00 0.00 N ATOM 586 CA LEU A 37 -6.870 1.026 -18.323 1.00 0.00 C ATOM 587 C LEU A 37 -6.839 1.427 -16.852 1.00 0.00 C ATOM 588 O LEU A 37 -6.437 0.643 -15.992 1.00 0.00 O ATOM 589 CB LEU A 37 -5.698 1.671 -19.065 1.00 0.00 C ATOM 590 CG LEU A 37 -5.640 1.423 -20.573 1.00 0.00 C ATOM 591 CD1 LEU A 37 -4.855 2.527 -21.265 1.00 0.00 C ATOM 592 CD2 LEU A 37 -5.023 0.063 -20.866 1.00 0.00 C ATOM 0 H LEU A 37 -8.041 2.079 -19.710 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.779 -0.058 -18.386 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.734 2.747 -18.895 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.770 1.310 -18.622 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.658 1.430 -20.963 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.824 2.334 -22.337 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.339 3.487 -21.083 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.839 2.552 -20.871 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.990 -0.097 -21.944 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.011 0.028 -20.462 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.626 -0.718 -20.402 1.00 0.00 H new ATOM 604 N LYS A 38 -7.267 2.653 -16.569 1.00 0.00 N ATOM 605 CA LYS A 38 -7.291 3.158 -15.201 1.00 0.00 C ATOM 606 C LYS A 38 -8.064 2.213 -14.286 1.00 0.00 C ATOM 607 O LYS A 38 -7.575 1.822 -13.225 1.00 0.00 O ATOM 608 CB LYS A 38 -7.921 4.552 -15.162 1.00 0.00 C ATOM 609 CG LYS A 38 -8.051 5.121 -13.760 1.00 0.00 C ATOM 610 CD LYS A 38 -8.311 6.618 -13.788 1.00 0.00 C ATOM 611 CE LYS A 38 -7.026 7.403 -14.000 1.00 0.00 C ATOM 612 NZ LYS A 38 -6.279 7.599 -12.726 1.00 0.00 N ATOM 0 H LYS A 38 -7.602 3.315 -17.269 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.263 3.220 -14.844 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.319 5.231 -15.766 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.909 4.508 -15.620 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.865 4.619 -13.237 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.139 4.920 -13.198 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.017 6.851 -14.585 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.776 6.925 -12.851 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.393 6.877 -14.715 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.261 8.374 -14.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.410 8.138 -12.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.873 8.123 -12.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.032 6.673 -12.322 1.00 0.00 H new ATOM 626 N LYS A 39 -9.271 1.849 -14.703 1.00 0.00 N ATOM 627 CA LYS A 39 -10.111 0.948 -13.922 1.00 0.00 C ATOM 628 C LYS A 39 -9.484 -0.440 -13.834 1.00 0.00 C ATOM 629 O LYS A 39 -9.578 -1.110 -12.804 1.00 0.00 O ATOM 630 CB LYS A 39 -11.506 0.851 -14.544 1.00 0.00 C ATOM 631 CG LYS A 39 -12.526 0.170 -13.648 1.00 0.00 C ATOM 632 CD LYS A 39 -13.039 1.111 -12.572 1.00 0.00 C ATOM 633 CE LYS A 39 -14.073 2.080 -13.125 1.00 0.00 C ATOM 634 NZ LYS A 39 -14.623 2.970 -12.065 1.00 0.00 N ATOM 0 H LYS A 39 -9.690 2.164 -15.578 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.197 1.353 -12.914 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.858 1.854 -14.784 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.438 0.304 -15.484 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.362 -0.185 -14.251 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.075 -0.706 -13.182 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.479 0.532 -11.760 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.205 1.670 -12.148 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.619 2.686 -13.909 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.886 1.519 -13.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.324 3.615 -12.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.078 2.393 -11.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.851 3.524 -11.642 1.00 0.00 H new ATOM 648 N LEU A 40 -8.845 -0.865 -14.918 1.00 0.00 N ATOM 649 CA LEU A 40 -8.201 -2.174 -14.962 1.00 0.00 C ATOM 650 C LEU A 40 -7.166 -2.309 -13.850 1.00 0.00 C ATOM 651 O LEU A 40 -7.234 -3.229 -13.035 1.00 0.00 O ATOM 652 CB LEU A 40 -7.536 -2.391 -16.322 1.00 0.00 C ATOM 653 CG LEU A 40 -8.273 -3.317 -17.290 1.00 0.00 C ATOM 654 CD1 LEU A 40 -9.744 -2.940 -17.375 1.00 0.00 C ATOM 655 CD2 LEU A 40 -7.628 -3.271 -18.667 1.00 0.00 C ATOM 0 H LEU A 40 -8.759 -0.323 -15.778 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.968 -2.934 -14.814 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.412 -1.420 -16.802 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.537 -2.794 -16.155 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.202 -4.337 -16.912 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.252 -3.610 -18.069 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.199 -3.026 -16.388 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.837 -1.913 -17.729 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.165 -3.936 -19.343 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.667 -2.252 -19.053 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.589 -3.592 -18.593 1.00 0.00 H new ATOM 667 N ALA A 41 -6.211 -1.385 -13.821 1.00 0.00 N ATOM 668 CA ALA A 41 -5.165 -1.399 -12.806 1.00 0.00 C ATOM 669 C ALA A 41 -5.739 -1.114 -11.422 1.00 0.00 C ATOM 670 O ALA A 41 -5.280 -1.669 -10.425 1.00 0.00 O ATOM 671 CB ALA A 41 -4.083 -0.386 -13.150 1.00 0.00 C ATOM 0 H ALA A 41 -6.140 -0.617 -14.489 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.723 -2.395 -12.789 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.308 -0.407 -12.384 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.645 -0.636 -14.116 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.520 0.611 -13.197 1.00 0.00 H new ATOM 677 N GLU A 42 -6.744 -0.246 -11.371 1.00 0.00 N ATOM 678 CA GLU A 42 -7.379 0.113 -10.108 1.00 0.00 C ATOM 679 C GLU A 42 -7.998 -1.113 -9.442 1.00 0.00 C ATOM 680 O GLU A 42 -7.833 -1.331 -8.242 1.00 0.00 O ATOM 681 CB GLU A 42 -8.452 1.179 -10.336 1.00 0.00 C ATOM 682 CG GLU A 42 -7.943 2.601 -10.166 1.00 0.00 C ATOM 683 CD GLU A 42 -9.058 3.590 -9.885 1.00 0.00 C ATOM 684 OE1 GLU A 42 -9.585 3.582 -8.753 1.00 0.00 O ATOM 685 OE2 GLU A 42 -9.403 4.370 -10.796 1.00 0.00 O ATOM 0 H GLU A 42 -7.136 0.221 -12.189 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.612 0.516 -9.447 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.858 1.065 -11.341 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.274 1.010 -9.640 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.222 2.630 -9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.413 2.904 -11.069 1.00 0.00 H new ATOM 692 N SER A 43 -8.710 -1.911 -10.231 1.00 0.00 N ATOM 693 CA SER A 43 -9.358 -3.113 -9.719 1.00 0.00 C ATOM 694 C SER A 43 -8.326 -4.185 -9.383 1.00 0.00 C ATOM 695 O SER A 43 -8.337 -4.755 -8.291 1.00 0.00 O ATOM 696 CB SER A 43 -10.358 -3.655 -10.742 1.00 0.00 C ATOM 697 OG SER A 43 -11.407 -2.729 -10.970 1.00 0.00 O ATOM 0 H SER A 43 -8.853 -1.747 -11.228 1.00 0.00 H new ATOM 0 HA SER A 43 -9.891 -2.847 -8.806 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.845 -3.866 -11.680 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.772 -4.598 -10.386 1.00 0.00 H new ATOM 0 HG SER A 43 -11.091 -2.016 -11.563 1.00 0.00 H new ATOM 703 N LEU A 44 -7.434 -4.455 -10.329 1.00 0.00 N ATOM 704 CA LEU A 44 -6.393 -5.459 -10.136 1.00 0.00 C ATOM 705 C LEU A 44 -6.992 -6.782 -9.670 1.00 0.00 C ATOM 706 O LEU A 44 -6.928 -7.123 -8.489 1.00 0.00 O ATOM 707 CB LEU A 44 -5.364 -4.966 -9.116 1.00 0.00 C ATOM 708 CG LEU A 44 -4.116 -4.296 -9.693 1.00 0.00 C ATOM 709 CD1 LEU A 44 -3.566 -3.265 -8.720 1.00 0.00 C ATOM 710 CD2 LEU A 44 -3.057 -5.337 -10.024 1.00 0.00 C ATOM 0 H LEU A 44 -7.410 -3.993 -11.238 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.898 -5.622 -11.094 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.855 -4.259 -8.447 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.049 -5.814 -8.508 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.395 -3.784 -10.614 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.678 -2.799 -9.147 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.322 -2.502 -8.532 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.303 -3.754 -7.782 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.176 -4.842 -10.433 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.782 -5.877 -9.118 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.453 -6.039 -10.758 1.00 0.00 H new ATOM 722 N SER A 45 -7.573 -7.525 -10.607 1.00 0.00 N ATOM 723 CA SER A 45 -8.186 -8.810 -10.293 1.00 0.00 C ATOM 724 C SER A 45 -8.305 -9.676 -11.544 1.00 0.00 C ATOM 725 O SER A 45 -8.713 -9.201 -12.604 1.00 0.00 O ATOM 726 CB SER A 45 -9.567 -8.602 -9.670 1.00 0.00 C ATOM 727 OG SER A 45 -9.938 -7.235 -9.697 1.00 0.00 O ATOM 0 H SER A 45 -7.632 -7.259 -11.590 1.00 0.00 H new ATOM 0 HA SER A 45 -7.546 -9.324 -9.576 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.306 -9.193 -10.211 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.563 -8.961 -8.641 1.00 0.00 H new ATOM 0 HG SER A 45 -10.825 -7.129 -9.294 1.00 0.00 H new ATOM 733 N SER A 46 -7.945 -10.948 -11.412 1.00 0.00 N ATOM 734 CA SER A 46 -8.007 -11.880 -12.532 1.00 0.00 C ATOM 735 C SER A 46 -9.448 -12.086 -12.988 1.00 0.00 C ATOM 736 O SER A 46 -9.730 -12.145 -14.185 1.00 0.00 O ATOM 737 CB SER A 46 -7.387 -13.223 -12.140 1.00 0.00 C ATOM 738 OG SER A 46 -6.833 -13.168 -10.837 1.00 0.00 O ATOM 0 H SER A 46 -7.607 -11.357 -10.541 1.00 0.00 H new ATOM 0 HA SER A 46 -7.440 -11.454 -13.360 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.146 -14.004 -12.183 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.612 -13.492 -12.857 1.00 0.00 H new ATOM 0 HG SER A 46 -5.874 -13.365 -10.881 1.00 0.00 H new ATOM 744 N ASP A 47 -10.357 -12.196 -12.025 1.00 0.00 N ATOM 745 CA ASP A 47 -11.770 -12.395 -12.325 1.00 0.00 C ATOM 746 C ASP A 47 -12.229 -11.448 -13.430 1.00 0.00 C ATOM 747 O ASP A 47 -12.405 -10.248 -13.218 1.00 0.00 O ATOM 748 CB ASP A 47 -12.615 -12.181 -11.069 1.00 0.00 C ATOM 749 CG ASP A 47 -12.390 -13.260 -10.029 1.00 0.00 C ATOM 750 OD1 ASP A 47 -13.051 -14.316 -10.116 1.00 0.00 O ATOM 751 OD2 ASP A 47 -11.553 -13.049 -9.126 1.00 0.00 O ATOM 0 H ASP A 47 -10.140 -12.151 -11.029 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.902 -13.420 -12.671 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.378 -11.209 -10.637 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.670 -12.159 -11.344 1.00 0.00 H new ATOM 756 N PRO A 48 -12.426 -11.998 -14.637 1.00 0.00 N ATOM 757 CA PRO A 48 -12.867 -11.220 -15.799 1.00 0.00 C ATOM 758 C PRO A 48 -14.312 -10.750 -15.668 1.00 0.00 C ATOM 759 O PRO A 48 -14.796 -9.969 -16.486 1.00 0.00 O ATOM 760 CB PRO A 48 -12.728 -12.207 -16.960 1.00 0.00 C ATOM 761 CG PRO A 48 -12.844 -13.552 -16.330 1.00 0.00 C ATOM 762 CD PRO A 48 -12.235 -13.421 -14.961 1.00 0.00 C ATOM 0 HA PRO A 48 -12.283 -10.308 -15.925 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.506 -12.051 -17.707 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.771 -12.089 -17.468 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.886 -13.864 -16.265 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.321 -14.306 -16.919 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.731 -14.068 -14.237 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.180 -13.695 -14.963 1.00 0.00 H new ATOM 770 N GLU A 49 -14.994 -11.231 -14.634 1.00 0.00 N ATOM 771 CA GLU A 49 -16.384 -10.860 -14.397 1.00 0.00 C ATOM 772 C GLU A 49 -16.499 -9.381 -14.039 1.00 0.00 C ATOM 773 O GLU A 49 -17.312 -8.654 -14.610 1.00 0.00 O ATOM 774 CB GLU A 49 -16.981 -11.715 -13.277 1.00 0.00 C ATOM 775 CG GLU A 49 -17.015 -13.200 -13.598 1.00 0.00 C ATOM 776 CD GLU A 49 -18.120 -13.561 -14.572 1.00 0.00 C ATOM 777 OE1 GLU A 49 -19.269 -13.747 -14.122 1.00 0.00 O ATOM 778 OE2 GLU A 49 -17.835 -13.657 -15.784 1.00 0.00 O ATOM 0 H GLU A 49 -14.607 -11.878 -13.947 1.00 0.00 H new ATOM 0 HA GLU A 49 -16.942 -11.038 -15.316 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.402 -11.562 -12.366 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.995 -11.373 -13.071 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.054 -13.499 -14.017 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -17.150 -13.764 -12.675 1.00 0.00 H new ATOM 785 N VAL A 50 -15.679 -8.943 -13.089 1.00 0.00 N ATOM 786 CA VAL A 50 -15.688 -7.551 -12.654 1.00 0.00 C ATOM 787 C VAL A 50 -15.167 -6.629 -13.751 1.00 0.00 C ATOM 788 O VAL A 50 -15.616 -5.490 -13.884 1.00 0.00 O ATOM 789 CB VAL A 50 -14.835 -7.355 -11.386 1.00 0.00 C ATOM 790 CG1 VAL A 50 -15.347 -8.236 -10.256 1.00 0.00 C ATOM 791 CG2 VAL A 50 -13.371 -7.646 -11.678 1.00 0.00 C ATOM 0 H VAL A 50 -15.000 -9.532 -12.606 1.00 0.00 H new ATOM 0 HA VAL A 50 -16.724 -7.295 -12.430 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.919 -6.315 -11.070 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.732 -8.084 -9.369 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -16.381 -7.974 -10.030 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -15.295 -9.282 -10.558 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.784 -7.502 -10.771 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.266 -8.676 -12.019 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -13.013 -6.969 -12.453 1.00 0.00 H new ATOM 801 N LEU A 51 -14.218 -7.129 -14.534 1.00 0.00 N ATOM 802 CA LEU A 51 -13.635 -6.350 -15.622 1.00 0.00 C ATOM 803 C LEU A 51 -14.656 -6.115 -16.731 1.00 0.00 C ATOM 804 O LEU A 51 -14.681 -5.051 -17.350 1.00 0.00 O ATOM 805 CB LEU A 51 -12.407 -7.066 -16.187 1.00 0.00 C ATOM 806 CG LEU A 51 -11.495 -7.742 -15.164 1.00 0.00 C ATOM 807 CD1 LEU A 51 -10.316 -8.408 -15.857 1.00 0.00 C ATOM 808 CD2 LEU A 51 -11.009 -6.734 -14.133 1.00 0.00 C ATOM 0 H LEU A 51 -13.836 -8.070 -14.437 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.332 -5.383 -15.222 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.746 -7.821 -16.897 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.816 -6.343 -16.749 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.069 -8.511 -14.648 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.678 -8.884 -15.112 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.682 -9.160 -16.555 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.742 -7.657 -16.400 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.361 -7.234 -13.413 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.452 -5.941 -14.633 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.865 -6.304 -13.613 1.00 0.00 H new ATOM 820 N LEU A 52 -15.498 -7.113 -16.974 1.00 0.00 N ATOM 821 CA LEU A 52 -16.523 -7.015 -18.007 1.00 0.00 C ATOM 822 C LEU A 52 -17.453 -5.836 -17.740 1.00 0.00 C ATOM 823 O LEU A 52 -18.087 -5.314 -18.657 1.00 0.00 O ATOM 824 CB LEU A 52 -17.332 -8.311 -18.076 1.00 0.00 C ATOM 825 CG LEU A 52 -18.228 -8.479 -19.304 1.00 0.00 C ATOM 826 CD1 LEU A 52 -17.448 -9.097 -20.454 1.00 0.00 C ATOM 827 CD2 LEU A 52 -19.444 -9.329 -18.964 1.00 0.00 C ATOM 0 H LEU A 52 -15.491 -8.000 -16.470 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.026 -6.853 -18.963 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -16.638 -9.151 -18.040 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -17.956 -8.374 -17.185 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.574 -7.493 -19.615 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.102 -9.209 -21.319 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -16.610 -8.450 -20.714 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.072 -10.075 -20.155 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -20.071 -9.438 -19.849 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -19.117 -10.313 -18.627 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -20.016 -8.845 -18.172 1.00 0.00 H new ATOM 839 N GLN A 53 -17.527 -5.420 -16.480 1.00 0.00 N ATOM 840 CA GLN A 53 -18.379 -4.302 -16.094 1.00 0.00 C ATOM 841 C GLN A 53 -17.693 -2.970 -16.384 1.00 0.00 C ATOM 842 O GLN A 53 -18.255 -1.904 -16.131 1.00 0.00 O ATOM 843 CB GLN A 53 -18.734 -4.393 -14.609 1.00 0.00 C ATOM 844 CG GLN A 53 -17.793 -3.608 -13.709 1.00 0.00 C ATOM 845 CD GLN A 53 -17.665 -4.216 -12.326 1.00 0.00 C ATOM 846 OE1 GLN A 53 -18.561 -4.918 -11.858 1.00 0.00 O ATOM 847 NE2 GLN A 53 -16.545 -3.950 -11.664 1.00 0.00 N ATOM 0 H GLN A 53 -17.007 -5.840 -15.709 1.00 0.00 H new ATOM 0 HA GLN A 53 -19.295 -4.355 -16.683 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -19.751 -4.028 -14.464 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -18.725 -5.440 -14.305 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -16.808 -3.560 -14.173 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -18.153 -2.583 -13.619 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -15.828 -3.363 -12.090 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -16.402 -4.333 -10.729 1.00 0.00 H new ATOM 856 N ILE A 54 -16.477 -3.040 -16.915 1.00 0.00 N ATOM 857 CA ILE A 54 -15.716 -1.840 -17.240 1.00 0.00 C ATOM 858 C ILE A 54 -15.943 -1.420 -18.688 1.00 0.00 C ATOM 859 O ILE A 54 -15.737 -2.207 -19.612 1.00 0.00 O ATOM 860 CB ILE A 54 -14.208 -2.050 -17.008 1.00 0.00 C ATOM 861 CG1 ILE A 54 -13.953 -2.552 -15.586 1.00 0.00 C ATOM 862 CG2 ILE A 54 -13.448 -0.757 -17.263 1.00 0.00 C ATOM 863 CD1 ILE A 54 -12.495 -2.827 -15.294 1.00 0.00 C ATOM 0 H ILE A 54 -15.998 -3.915 -17.129 1.00 0.00 H new ATOM 0 HA ILE A 54 -16.071 -1.052 -16.576 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.850 -2.804 -17.709 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.324 -1.812 -14.876 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.526 -3.465 -15.424 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.384 -0.921 -17.095 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.608 -0.438 -18.293 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.807 0.016 -16.584 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.390 -3.180 -14.268 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.124 -3.589 -15.979 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.919 -1.911 -15.424 1.00 0.00 H new ATOM 875 N ASP A 55 -16.368 -0.176 -18.878 1.00 0.00 N ATOM 876 CA ASP A 55 -16.620 0.350 -20.214 1.00 0.00 C ATOM 877 C ASP A 55 -15.414 0.130 -21.122 1.00 0.00 C ATOM 878 O ASP A 55 -14.315 0.603 -20.837 1.00 0.00 O ATOM 879 CB ASP A 55 -16.956 1.841 -20.144 1.00 0.00 C ATOM 880 CG ASP A 55 -15.889 2.640 -19.421 1.00 0.00 C ATOM 881 OD1 ASP A 55 -15.974 2.757 -18.181 1.00 0.00 O ATOM 882 OD2 ASP A 55 -14.970 3.150 -20.096 1.00 0.00 O ATOM 0 H ASP A 55 -16.545 0.487 -18.123 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.471 -0.187 -20.634 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.076 2.231 -21.155 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.911 1.972 -19.636 1.00 0.00 H new ATOM 887 N GLY A 56 -15.628 -0.594 -22.217 1.00 0.00 N ATOM 888 CA GLY A 56 -14.549 -0.866 -23.148 1.00 0.00 C ATOM 889 C GLY A 56 -13.933 -2.235 -22.939 1.00 0.00 C ATOM 890 O GLY A 56 -12.712 -2.386 -22.970 1.00 0.00 O ATOM 0 H GLY A 56 -16.529 -0.997 -22.475 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.926 -0.793 -24.168 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.778 -0.104 -23.038 1.00 0.00 H new ATOM 894 N VAL A 57 -14.780 -3.237 -22.724 1.00 0.00 N ATOM 895 CA VAL A 57 -14.313 -4.601 -22.508 1.00 0.00 C ATOM 896 C VAL A 57 -15.232 -5.611 -23.187 1.00 0.00 C ATOM 897 O VAL A 57 -16.446 -5.600 -22.980 1.00 0.00 O ATOM 898 CB VAL A 57 -14.223 -4.933 -21.007 1.00 0.00 C ATOM 899 CG1 VAL A 57 -13.766 -6.369 -20.804 1.00 0.00 C ATOM 900 CG2 VAL A 57 -13.287 -3.962 -20.302 1.00 0.00 C ATOM 0 H VAL A 57 -15.794 -3.129 -22.695 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.318 -4.668 -22.947 1.00 0.00 H new ATOM 0 HB VAL A 57 -15.216 -4.828 -20.569 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.708 -6.585 -19.737 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.478 -7.047 -21.274 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.783 -6.505 -21.255 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.235 -4.211 -19.242 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.292 -4.033 -20.741 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.663 -2.945 -20.418 1.00 0.00 H new ATOM 910 N THR A 58 -14.645 -6.485 -23.999 1.00 0.00 N ATOM 911 CA THR A 58 -15.410 -7.502 -24.709 1.00 0.00 C ATOM 912 C THR A 58 -14.740 -8.867 -24.604 1.00 0.00 C ATOM 913 O THR A 58 -13.559 -8.964 -24.273 1.00 0.00 O ATOM 914 CB THR A 58 -15.581 -7.139 -26.196 1.00 0.00 C ATOM 915 OG1 THR A 58 -14.328 -6.716 -26.745 1.00 0.00 O ATOM 916 CG2 THR A 58 -16.615 -6.036 -26.369 1.00 0.00 C ATOM 0 H THR A 58 -13.642 -6.509 -24.181 1.00 0.00 H new ATOM 0 HA THR A 58 -16.392 -7.546 -24.238 1.00 0.00 H new ATOM 0 HB THR A 58 -15.928 -8.026 -26.726 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.445 -6.489 -27.691 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.718 -5.797 -27.427 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.575 -6.373 -25.978 1.00 0.00 H new ATOM 0 HG23 THR A 58 -16.293 -5.147 -25.826 1.00 0.00 H new ATOM 924 N GLU A 59 -15.502 -9.918 -24.889 1.00 0.00 N ATOM 925 CA GLU A 59 -14.980 -11.278 -24.826 1.00 0.00 C ATOM 926 C GLU A 59 -13.734 -11.424 -25.694 1.00 0.00 C ATOM 927 O GLU A 59 -12.753 -12.048 -25.290 1.00 0.00 O ATOM 928 CB GLU A 59 -16.047 -12.279 -25.275 1.00 0.00 C ATOM 929 CG GLU A 59 -15.768 -13.706 -24.833 1.00 0.00 C ATOM 930 CD GLU A 59 -16.812 -14.686 -25.333 1.00 0.00 C ATOM 931 OE1 GLU A 59 -16.664 -15.183 -26.469 1.00 0.00 O ATOM 932 OE2 GLU A 59 -17.776 -14.956 -24.587 1.00 0.00 O ATOM 0 H GLU A 59 -16.482 -9.854 -25.165 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.708 -11.487 -23.791 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.014 -11.968 -24.880 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.123 -12.253 -26.362 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.786 -14.010 -25.197 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.731 -13.745 -23.744 1.00 0.00 H new ATOM 939 N ASP A 60 -13.780 -10.843 -26.887 1.00 0.00 N ATOM 940 CA ASP A 60 -12.655 -10.906 -27.813 1.00 0.00 C ATOM 941 C ASP A 60 -11.466 -10.115 -27.278 1.00 0.00 C ATOM 942 O ASP A 60 -10.328 -10.585 -27.311 1.00 0.00 O ATOM 943 CB ASP A 60 -13.065 -10.368 -29.185 1.00 0.00 C ATOM 944 CG ASP A 60 -11.871 -10.023 -30.052 1.00 0.00 C ATOM 945 OD1 ASP A 60 -11.265 -8.954 -29.828 1.00 0.00 O ATOM 946 OD2 ASP A 60 -11.541 -10.821 -30.955 1.00 0.00 O ATOM 0 H ASP A 60 -14.585 -10.323 -27.236 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.358 -11.950 -27.914 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.678 -11.111 -29.695 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.684 -9.480 -29.054 1.00 0.00 H new ATOM 951 N LYS A 61 -11.736 -8.912 -26.785 1.00 0.00 N ATOM 952 CA LYS A 61 -10.689 -8.054 -26.241 1.00 0.00 C ATOM 953 C LYS A 61 -9.985 -8.731 -25.070 1.00 0.00 C ATOM 954 O LYS A 61 -8.756 -8.805 -25.030 1.00 0.00 O ATOM 955 CB LYS A 61 -11.280 -6.716 -25.791 1.00 0.00 C ATOM 956 CG LYS A 61 -11.372 -5.687 -26.904 1.00 0.00 C ATOM 957 CD LYS A 61 -11.216 -4.273 -26.370 1.00 0.00 C ATOM 958 CE LYS A 61 -11.974 -3.268 -27.224 1.00 0.00 C ATOM 959 NZ LYS A 61 -13.398 -3.147 -26.806 1.00 0.00 N ATOM 0 H LYS A 61 -12.672 -8.508 -26.751 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.956 -7.874 -27.027 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.276 -6.887 -25.383 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.670 -6.312 -24.983 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.599 -5.884 -27.647 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.333 -5.782 -27.410 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.581 -4.228 -25.344 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.159 -4.007 -26.345 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.491 -2.294 -27.153 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.927 -3.572 -28.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.880 -2.453 -27.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.866 -4.071 -26.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.444 -2.833 -25.816 1.00 0.00 H new ATOM 973 N LEU A 62 -10.770 -9.226 -24.119 1.00 0.00 N ATOM 974 CA LEU A 62 -10.221 -9.899 -22.947 1.00 0.00 C ATOM 975 C LEU A 62 -9.595 -11.236 -23.330 1.00 0.00 C ATOM 976 O LEU A 62 -8.692 -11.726 -22.653 1.00 0.00 O ATOM 977 CB LEU A 62 -11.315 -10.116 -21.901 1.00 0.00 C ATOM 978 CG LEU A 62 -12.472 -11.025 -22.318 1.00 0.00 C ATOM 979 CD1 LEU A 62 -12.107 -12.486 -22.105 1.00 0.00 C ATOM 980 CD2 LEU A 62 -13.734 -10.671 -21.544 1.00 0.00 C ATOM 0 H LEU A 62 -11.789 -9.174 -24.137 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.443 -9.263 -22.524 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.856 -10.534 -21.005 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.724 -9.144 -21.625 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.665 -10.871 -23.380 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.942 -13.118 -22.407 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.230 -12.733 -22.704 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.886 -12.656 -21.051 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.547 -11.328 -21.854 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.553 -10.796 -20.476 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.007 -9.635 -21.747 1.00 0.00 H new ATOM 992 N GLU A 63 -10.081 -11.820 -24.422 1.00 0.00 N ATOM 993 CA GLU A 63 -9.567 -13.100 -24.895 1.00 0.00 C ATOM 994 C GLU A 63 -8.190 -12.932 -25.531 1.00 0.00 C ATOM 995 O GLU A 63 -7.348 -13.828 -25.461 1.00 0.00 O ATOM 996 CB GLU A 63 -10.535 -13.721 -25.905 1.00 0.00 C ATOM 997 CG GLU A 63 -9.976 -14.944 -26.611 1.00 0.00 C ATOM 998 CD GLU A 63 -11.062 -15.844 -27.168 1.00 0.00 C ATOM 999 OE1 GLU A 63 -11.761 -16.498 -26.366 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -11.213 -15.893 -28.407 1.00 0.00 O ATOM 0 H GLU A 63 -10.829 -11.427 -24.994 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.473 -13.765 -24.036 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.455 -13.998 -25.391 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.800 -12.971 -26.650 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.323 -14.623 -27.423 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.361 -15.512 -25.913 1.00 0.00 H new ATOM 1007 N LYS A 64 -7.968 -11.779 -26.151 1.00 0.00 N ATOM 1008 CA LYS A 64 -6.694 -11.491 -26.800 1.00 0.00 C ATOM 1009 C LYS A 64 -5.712 -10.864 -25.816 1.00 0.00 C ATOM 1010 O LYS A 64 -4.581 -11.329 -25.671 1.00 0.00 O ATOM 1011 CB LYS A 64 -6.905 -10.555 -27.992 1.00 0.00 C ATOM 1012 CG LYS A 64 -7.574 -11.225 -29.180 1.00 0.00 C ATOM 1013 CD LYS A 64 -6.703 -12.326 -29.762 1.00 0.00 C ATOM 1014 CE LYS A 64 -7.193 -12.756 -31.136 1.00 0.00 C ATOM 1015 NZ LYS A 64 -6.681 -11.863 -32.212 1.00 0.00 N ATOM 0 H LYS A 64 -8.654 -11.027 -26.218 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.275 -12.432 -27.155 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.512 -9.707 -27.675 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.940 -10.157 -28.306 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.532 -11.643 -28.871 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.783 -10.481 -29.948 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.673 -11.977 -29.835 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.702 -13.184 -29.090 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.874 -13.780 -31.331 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.283 -12.754 -31.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.037 -12.189 -33.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.006 -10.890 -32.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.641 -11.885 -32.216 1.00 0.00 H new ATOM 1029 N TYR A 65 -6.152 -9.808 -25.140 1.00 0.00 N ATOM 1030 CA TYR A 65 -5.311 -9.117 -24.170 1.00 0.00 C ATOM 1031 C TYR A 65 -5.636 -9.567 -22.749 1.00 0.00 C ATOM 1032 O TYR A 65 -4.748 -9.946 -21.987 1.00 0.00 O ATOM 1033 CB TYR A 65 -5.493 -7.603 -24.292 1.00 0.00 C ATOM 1034 CG TYR A 65 -6.055 -7.167 -25.626 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -5.373 -7.427 -26.808 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -7.269 -6.495 -25.704 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -5.883 -7.029 -28.029 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -7.787 -6.095 -26.921 1.00 0.00 C ATOM 1039 CZ TYR A 65 -7.090 -6.364 -28.081 1.00 0.00 C ATOM 1040 OH TYR A 65 -7.601 -5.967 -29.295 1.00 0.00 O ATOM 0 H TYR A 65 -7.086 -9.412 -25.246 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.272 -9.369 -24.383 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.156 -7.260 -23.498 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.530 -7.116 -24.136 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.428 -7.949 -26.772 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.817 -6.282 -24.798 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.339 -7.238 -28.938 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.732 -5.575 -26.964 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.458 -5.513 -29.156 1.00 0.00 H new ATOM 1050 N GLY A 66 -6.918 -9.521 -22.400 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.340 -9.927 -21.072 1.00 0.00 C ATOM 1052 C GLY A 66 -6.618 -11.169 -20.588 1.00 0.00 C ATOM 1053 O GLY A 66 -6.318 -11.298 -19.401 1.00 0.00 O ATOM 0 H GLY A 66 -7.672 -9.210 -23.013 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.161 -9.111 -20.372 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.414 -10.114 -21.077 1.00 0.00 H new ATOM 1057 N ALA A 67 -6.339 -12.086 -21.508 1.00 0.00 N ATOM 1058 CA ALA A 67 -5.647 -13.323 -21.169 1.00 0.00 C ATOM 1059 C ALA A 67 -4.389 -13.043 -20.355 1.00 0.00 C ATOM 1060 O ALA A 67 -4.232 -13.550 -19.244 1.00 0.00 O ATOM 1061 CB ALA A 67 -5.299 -14.097 -22.432 1.00 0.00 C ATOM 0 H ALA A 67 -6.582 -11.995 -22.495 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.316 -13.928 -20.558 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.783 -15.019 -22.163 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.213 -14.338 -22.974 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.652 -13.489 -23.064 1.00 0.00 H new ATOM 1067 N GLU A 68 -3.495 -12.234 -20.915 1.00 0.00 N ATOM 1068 CA GLU A 68 -2.249 -11.889 -20.239 1.00 0.00 C ATOM 1069 C GLU A 68 -2.526 -11.183 -18.915 1.00 0.00 C ATOM 1070 O GLU A 68 -1.820 -11.391 -17.928 1.00 0.00 O ATOM 1071 CB GLU A 68 -1.388 -10.996 -21.135 1.00 0.00 C ATOM 1072 CG GLU A 68 -1.121 -11.589 -22.509 1.00 0.00 C ATOM 1073 CD GLU A 68 -0.710 -13.047 -22.445 1.00 0.00 C ATOM 1074 OE1 GLU A 68 0.274 -13.355 -21.741 1.00 0.00 O ATOM 1075 OE2 GLU A 68 -1.372 -13.880 -23.099 1.00 0.00 O ATOM 0 H GLU A 68 -3.610 -11.806 -21.834 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.709 -12.813 -20.032 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.882 -10.032 -21.254 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.436 -10.807 -20.639 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.017 -11.495 -23.122 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.336 -11.015 -23.002 1.00 0.00 H new ATOM 1082 N VAL A 69 -3.559 -10.346 -18.902 1.00 0.00 N ATOM 1083 CA VAL A 69 -3.930 -9.609 -17.700 1.00 0.00 C ATOM 1084 C VAL A 69 -4.321 -10.558 -16.572 1.00 0.00 C ATOM 1085 O VAL A 69 -3.942 -10.356 -15.418 1.00 0.00 O ATOM 1086 CB VAL A 69 -5.100 -8.644 -17.972 1.00 0.00 C ATOM 1087 CG1 VAL A 69 -5.312 -7.714 -16.787 1.00 0.00 C ATOM 1088 CG2 VAL A 69 -4.849 -7.850 -19.245 1.00 0.00 C ATOM 0 H VAL A 69 -4.153 -10.162 -19.710 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.055 -9.033 -17.400 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.008 -9.231 -18.109 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.142 -7.040 -16.998 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.539 -8.303 -15.898 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.407 -7.132 -16.615 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.685 -7.173 -19.422 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.931 -7.272 -19.138 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.751 -8.535 -20.088 1.00 0.00 H new ATOM 1098 N ILE A 70 -5.080 -11.593 -16.914 1.00 0.00 N ATOM 1099 CA ILE A 70 -5.521 -12.574 -15.930 1.00 0.00 C ATOM 1100 C ILE A 70 -4.358 -13.441 -15.459 1.00 0.00 C ATOM 1101 O ILE A 70 -4.261 -13.779 -14.279 1.00 0.00 O ATOM 1102 CB ILE A 70 -6.626 -13.484 -16.498 1.00 0.00 C ATOM 1103 CG1 ILE A 70 -7.863 -12.657 -16.858 1.00 0.00 C ATOM 1104 CG2 ILE A 70 -6.983 -14.572 -15.497 1.00 0.00 C ATOM 1105 CD1 ILE A 70 -9.001 -13.483 -17.415 1.00 0.00 C ATOM 0 H ILE A 70 -5.402 -11.774 -17.865 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.921 -12.014 -15.084 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.253 -13.960 -17.405 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.209 -12.130 -15.969 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.583 -11.899 -17.590 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.765 -15.207 -15.913 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.100 -15.175 -15.285 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.340 -14.115 -14.574 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.843 -12.832 -17.648 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.673 -13.990 -18.323 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.308 -14.224 -16.677 1.00 0.00 H new ATOM 1117 N SER A 71 -3.476 -13.795 -16.388 1.00 0.00 N ATOM 1118 CA SER A 71 -2.320 -14.624 -16.068 1.00 0.00 C ATOM 1119 C SER A 71 -1.436 -13.944 -15.026 1.00 0.00 C ATOM 1120 O SER A 71 -1.056 -14.552 -14.026 1.00 0.00 O ATOM 1121 CB SER A 71 -1.508 -14.913 -17.332 1.00 0.00 C ATOM 1122 OG SER A 71 -0.169 -15.250 -17.012 1.00 0.00 O ATOM 0 H SER A 71 -3.540 -13.521 -17.368 1.00 0.00 H new ATOM 0 HA SER A 71 -2.682 -15.565 -15.654 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.970 -15.731 -17.886 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.521 -14.039 -17.984 1.00 0.00 H new ATOM 0 HG SER A 71 0.329 -15.432 -17.837 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.113 -12.678 -15.270 1.00 0.00 N ATOM 1129 CA VAL A 72 -0.275 -11.913 -14.353 1.00 0.00 C ATOM 1130 C VAL A 72 -0.999 -11.648 -13.038 1.00 0.00 C ATOM 1131 O VAL A 72 -0.403 -11.724 -11.963 1.00 0.00 O ATOM 1132 CB VAL A 72 0.152 -10.569 -14.972 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -1.068 -9.740 -15.343 1.00 0.00 C ATOM 1134 CG2 VAL A 72 1.056 -9.806 -14.016 1.00 0.00 C ATOM 0 H VAL A 72 -1.418 -12.160 -16.094 1.00 0.00 H new ATOM 0 HA VAL A 72 0.614 -12.514 -14.160 1.00 0.00 H new ATOM 0 HB VAL A 72 0.714 -10.771 -15.884 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.746 -8.794 -15.779 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.673 -10.286 -16.067 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.661 -9.545 -14.449 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.348 -8.859 -14.469 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.522 -9.613 -13.086 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.947 -10.398 -13.807 1.00 0.00 H new ATOM 1144 N LEU A 73 -2.287 -11.336 -13.131 1.00 0.00 N ATOM 1145 CA LEU A 73 -3.094 -11.059 -11.948 1.00 0.00 C ATOM 1146 C LEU A 73 -3.213 -12.299 -11.068 1.00 0.00 C ATOM 1147 O LEU A 73 -3.355 -12.195 -9.850 1.00 0.00 O ATOM 1148 CB LEU A 73 -4.486 -10.576 -12.358 1.00 0.00 C ATOM 1149 CG LEU A 73 -4.580 -9.126 -12.835 1.00 0.00 C ATOM 1150 CD1 LEU A 73 -5.947 -8.851 -13.441 1.00 0.00 C ATOM 1151 CD2 LEU A 73 -4.302 -8.168 -11.685 1.00 0.00 C ATOM 0 H LEU A 73 -2.795 -11.269 -14.013 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.598 -10.275 -11.375 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.854 -11.224 -13.154 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.157 -10.702 -11.509 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.825 -8.967 -13.605 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.995 -7.814 -13.775 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.108 -9.514 -14.291 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.719 -9.027 -12.692 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.373 -7.141 -12.042 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.034 -8.328 -10.893 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.300 -8.348 -11.295 1.00 0.00 H new ATOM 1163 N GLN A 74 -3.151 -13.470 -11.692 1.00 0.00 N ATOM 1164 CA GLN A 74 -3.250 -14.730 -10.965 1.00 0.00 C ATOM 1165 C GLN A 74 -1.889 -15.152 -10.420 1.00 0.00 C ATOM 1166 O GLN A 74 -1.796 -15.751 -9.348 1.00 0.00 O ATOM 1167 CB GLN A 74 -3.811 -15.825 -11.873 1.00 0.00 C ATOM 1168 CG GLN A 74 -5.274 -16.143 -11.611 1.00 0.00 C ATOM 1169 CD GLN A 74 -5.546 -16.481 -10.158 1.00 0.00 C ATOM 1170 OE1 GLN A 74 -4.646 -16.890 -9.424 1.00 0.00 O ATOM 1171 NE2 GLN A 74 -6.793 -16.311 -9.734 1.00 0.00 N ATOM 0 H GLN A 74 -3.033 -13.573 -12.700 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.928 -14.583 -10.124 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.695 -15.518 -12.912 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.221 -16.732 -11.741 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.885 -15.289 -11.902 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.578 -16.981 -12.238 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.508 -15.970 -10.376 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.036 -16.522 -8.766 1.00 0.00 H new ATOM 1180 N LYS A 75 -0.835 -14.836 -11.164 1.00 0.00 N ATOM 1181 CA LYS A 75 0.521 -15.182 -10.757 1.00 0.00 C ATOM 1182 C LYS A 75 0.922 -14.418 -9.499 1.00 0.00 C ATOM 1183 O LYS A 75 1.317 -15.015 -8.497 1.00 0.00 O ATOM 1184 CB LYS A 75 1.508 -14.879 -11.887 1.00 0.00 C ATOM 1185 CG LYS A 75 1.556 -15.956 -12.957 1.00 0.00 C ATOM 1186 CD LYS A 75 2.975 -16.192 -13.446 1.00 0.00 C ATOM 1187 CE LYS A 75 3.204 -15.567 -14.814 1.00 0.00 C ATOM 1188 NZ LYS A 75 4.592 -15.796 -15.303 1.00 0.00 N ATOM 0 H LYS A 75 -0.894 -14.340 -12.053 1.00 0.00 H new ATOM 0 HA LYS A 75 0.547 -16.249 -10.537 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.237 -13.930 -12.350 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.505 -14.754 -11.464 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.148 -16.885 -12.558 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.924 -15.665 -13.796 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.682 -15.773 -12.730 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.170 -17.263 -13.497 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.494 -15.985 -15.528 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.010 -14.496 -14.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.708 -15.355 -16.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.269 -15.375 -14.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.769 -16.818 -15.378 1.00 0.00 H new ATOM 1202 N TYR A 76 0.817 -13.095 -9.557 1.00 0.00 N ATOM 1203 CA TYR A 76 1.170 -12.249 -8.423 1.00 0.00 C ATOM 1204 C TYR A 76 0.206 -12.467 -7.260 1.00 0.00 C ATOM 1205 O TYR A 76 0.561 -12.267 -6.099 1.00 0.00 O ATOM 1206 CB TYR A 76 1.164 -10.777 -8.836 1.00 0.00 C ATOM 1207 CG TYR A 76 -0.112 -10.051 -8.472 1.00 0.00 C ATOM 1208 CD1 TYR A 76 -1.293 -10.292 -9.162 1.00 0.00 C ATOM 1209 CD2 TYR A 76 -0.136 -9.125 -7.436 1.00 0.00 C ATOM 1210 CE1 TYR A 76 -2.461 -9.631 -8.833 1.00 0.00 C ATOM 1211 CE2 TYR A 76 -1.299 -8.460 -7.099 1.00 0.00 C ATOM 1212 CZ TYR A 76 -2.459 -8.716 -7.801 1.00 0.00 C ATOM 1213 OH TYR A 76 -3.620 -8.057 -7.469 1.00 0.00 O ATOM 0 H TYR A 76 0.490 -12.585 -10.378 1.00 0.00 H new ATOM 0 HA TYR A 76 2.173 -12.523 -8.096 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.007 -10.272 -8.363 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.316 -10.710 -9.913 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.299 -11.009 -9.970 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.770 -8.922 -6.885 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.370 -9.830 -9.381 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.300 -7.744 -6.291 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.448 -7.448 -6.720 1.00 0.00 H new ATOM 1223 N SER A 77 -1.015 -12.880 -7.583 1.00 0.00 N ATOM 1224 CA SER A 77 -2.033 -13.123 -6.567 1.00 0.00 C ATOM 1225 C SER A 77 -1.627 -14.278 -5.657 1.00 0.00 C ATOM 1226 O SER A 77 -1.834 -14.229 -4.445 1.00 0.00 O ATOM 1227 CB SER A 77 -3.380 -13.427 -7.226 1.00 0.00 C ATOM 1228 OG SER A 77 -4.155 -12.249 -7.370 1.00 0.00 O ATOM 0 H SER A 77 -1.324 -13.053 -8.540 1.00 0.00 H new ATOM 0 HA SER A 77 -2.129 -12.222 -5.961 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.216 -13.880 -8.204 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.926 -14.154 -6.625 1.00 0.00 H new ATOM 0 HG SER A 77 -4.076 -11.916 -8.288 1.00 0.00 H new ATOM 1234 N GLU A 78 -1.049 -15.317 -6.252 1.00 0.00 N ATOM 1235 CA GLU A 78 -0.614 -16.485 -5.495 1.00 0.00 C ATOM 1236 C GLU A 78 0.436 -16.102 -4.457 1.00 0.00 C ATOM 1237 O GLU A 78 0.532 -16.721 -3.397 1.00 0.00 O ATOM 1238 CB GLU A 78 -0.051 -17.550 -6.438 1.00 0.00 C ATOM 1239 CG GLU A 78 -1.112 -18.461 -7.032 1.00 0.00 C ATOM 1240 CD GLU A 78 -1.508 -19.585 -6.094 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -0.852 -20.647 -6.131 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -2.474 -19.403 -5.324 1.00 0.00 O ATOM 0 H GLU A 78 -0.871 -15.374 -7.255 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.481 -16.892 -4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.488 -17.058 -7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.674 -18.157 -5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.995 -17.871 -7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.740 -18.885 -7.965 1.00 0.00 H new ATOM 1249 N TRP A 79 1.222 -15.078 -4.770 1.00 0.00 N ATOM 1250 CA TRP A 79 2.267 -14.612 -3.865 1.00 0.00 C ATOM 1251 C TRP A 79 1.664 -14.042 -2.586 1.00 0.00 C ATOM 1252 O TRP A 79 2.207 -14.227 -1.496 1.00 0.00 O ATOM 1253 CB TRP A 79 3.130 -13.553 -4.553 1.00 0.00 C ATOM 1254 CG TRP A 79 4.469 -13.366 -3.905 1.00 0.00 C ATOM 1255 CD1 TRP A 79 5.633 -14.001 -4.232 1.00 0.00 C ATOM 1256 CD2 TRP A 79 4.780 -12.487 -2.819 1.00 0.00 C ATOM 1257 NE1 TRP A 79 6.650 -13.570 -3.414 1.00 0.00 N ATOM 1258 CE2 TRP A 79 6.152 -12.640 -2.539 1.00 0.00 C ATOM 1259 CE3 TRP A 79 4.034 -11.584 -2.057 1.00 0.00 C ATOM 1260 CZ2 TRP A 79 6.790 -11.925 -1.530 1.00 0.00 C ATOM 1261 CZ3 TRP A 79 4.669 -10.875 -1.055 1.00 0.00 C ATOM 1262 CH2 TRP A 79 6.036 -11.048 -0.799 1.00 0.00 C ATOM 0 H TRP A 79 1.156 -14.555 -5.643 1.00 0.00 H new ATOM 0 HA TRP A 79 2.892 -15.465 -3.601 1.00 0.00 H new ATOM 0 HB2 TRP A 79 3.275 -13.834 -5.596 1.00 0.00 H new ATOM 0 HB3 TRP A 79 2.597 -12.602 -4.550 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.739 -14.734 -5.018 1.00 0.00 H new ATOM 0 HE1 TRP A 79 7.618 -13.890 -3.452 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.980 -11.443 -2.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 7.843 -12.058 -1.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.102 -10.175 -0.459 1.00 0.00 H new ATOM 0 HH2 TRP A 79 6.503 -10.478 -0.010 1.00 0.00 H new ATOM 1273 N THR A 80 0.539 -13.348 -2.725 1.00 0.00 N ATOM 1274 CA THR A 80 -0.137 -12.750 -1.580 1.00 0.00 C ATOM 1275 C THR A 80 -1.179 -13.699 -0.999 1.00 0.00 C ATOM 1276 O THR A 80 -1.796 -14.477 -1.726 1.00 0.00 O ATOM 1277 CB THR A 80 -0.822 -11.424 -1.961 1.00 0.00 C ATOM 1278 OG1 THR A 80 -1.403 -10.821 -0.799 1.00 0.00 O ATOM 1279 CG2 THR A 80 -1.897 -11.653 -3.012 1.00 0.00 C ATOM 0 H THR A 80 0.076 -13.186 -3.620 1.00 0.00 H new ATOM 0 HA THR A 80 0.628 -12.552 -0.830 1.00 0.00 H new ATOM 0 HB THR A 80 -0.067 -10.757 -2.376 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.835 -9.978 -1.049 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.367 -10.703 -3.265 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.446 -12.084 -3.906 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.650 -12.337 -2.619 1.00 0.00 H new ATOM 1287 N SER A 81 -1.371 -13.628 0.314 1.00 0.00 N ATOM 1288 CA SER A 81 -2.337 -14.484 0.993 1.00 0.00 C ATOM 1289 C SER A 81 -2.917 -13.783 2.217 1.00 0.00 C ATOM 1290 O SER A 81 -2.601 -14.114 3.361 1.00 0.00 O ATOM 1291 CB SER A 81 -1.680 -15.802 1.408 1.00 0.00 C ATOM 1292 OG SER A 81 -0.348 -15.592 1.844 1.00 0.00 O ATOM 0 H SER A 81 -0.870 -12.987 0.929 1.00 0.00 H new ATOM 0 HA SER A 81 -3.150 -14.696 0.298 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.259 -16.265 2.207 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.686 -16.496 0.567 1.00 0.00 H new ATOM 0 HG SER A 81 0.050 -16.449 2.105 1.00 0.00 H new ATOM 1298 N PRO A 82 -3.786 -12.791 1.974 1.00 0.00 N ATOM 1299 CA PRO A 82 -4.430 -12.023 3.044 1.00 0.00 C ATOM 1300 C PRO A 82 -5.444 -12.852 3.824 1.00 0.00 C ATOM 1301 O PRO A 82 -6.126 -13.707 3.260 1.00 0.00 O ATOM 1302 CB PRO A 82 -5.132 -10.889 2.293 1.00 0.00 C ATOM 1303 CG PRO A 82 -5.366 -11.429 0.924 1.00 0.00 C ATOM 1304 CD PRO A 82 -4.209 -12.344 0.636 1.00 0.00 C ATOM 0 HA PRO A 82 -3.711 -11.680 3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.070 -10.615 2.776 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.514 -9.991 2.264 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.312 -11.968 0.874 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -5.419 -10.624 0.191 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.507 -13.183 0.008 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.406 -11.824 0.114 1.00 0.00 H new ATOM 1312 N ALA A 83 -5.538 -12.593 5.124 1.00 0.00 N ATOM 1313 CA ALA A 83 -6.471 -13.315 5.981 1.00 0.00 C ATOM 1314 C ALA A 83 -7.915 -12.986 5.620 1.00 0.00 C ATOM 1315 O ALA A 83 -8.428 -11.927 5.979 1.00 0.00 O ATOM 1316 CB ALA A 83 -6.204 -12.990 7.444 1.00 0.00 C ATOM 0 H ALA A 83 -4.980 -11.889 5.607 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.319 -14.383 5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.908 -13.536 8.072 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.186 -13.282 7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.327 -11.919 7.607 1.00 0.00 H new ATOM 1322 N GLU A 84 -8.565 -13.900 4.906 1.00 0.00 N ATOM 1323 CA GLU A 84 -9.950 -13.705 4.495 1.00 0.00 C ATOM 1324 C GLU A 84 -10.869 -14.709 5.186 1.00 0.00 C ATOM 1325 O GLU A 84 -11.933 -15.050 4.668 1.00 0.00 O ATOM 1326 CB GLU A 84 -10.079 -13.839 2.976 1.00 0.00 C ATOM 1327 CG GLU A 84 -11.215 -13.021 2.387 1.00 0.00 C ATOM 1328 CD GLU A 84 -11.117 -12.888 0.879 1.00 0.00 C ATOM 1329 OE1 GLU A 84 -11.530 -13.832 0.173 1.00 0.00 O ATOM 1330 OE2 GLU A 84 -10.627 -11.841 0.406 1.00 0.00 O ATOM 0 H GLU A 84 -8.155 -14.782 4.600 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.252 -12.700 4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.142 -13.531 2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.230 -14.889 2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.166 -13.487 2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.214 -12.028 2.836 1.00 0.00 H new ATOM 1337 N ASP A 85 -10.450 -15.177 6.356 1.00 0.00 N ATOM 1338 CA ASP A 85 -11.235 -16.142 7.118 1.00 0.00 C ATOM 1339 C ASP A 85 -11.758 -15.518 8.409 1.00 0.00 C ATOM 1340 O ASP A 85 -12.957 -15.559 8.688 1.00 0.00 O ATOM 1341 CB ASP A 85 -10.392 -17.377 7.439 1.00 0.00 C ATOM 1342 CG ASP A 85 -9.040 -17.019 8.025 1.00 0.00 C ATOM 1343 OD1 ASP A 85 -8.944 -16.897 9.264 1.00 0.00 O ATOM 1344 OD2 ASP A 85 -8.078 -16.860 7.244 1.00 0.00 O ATOM 0 H ASP A 85 -9.572 -14.904 6.798 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.088 -16.442 6.509 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.933 -18.010 8.142 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.248 -17.961 6.530 1.00 0.00 H new TER 1349 ASP A 85