USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 716 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 15 SER OG : rot 172:sc= 1.21 USER MOD Set 1.2: A 81 HIS : no HD1:sc= -6.11! C(o=-4.9!,f=-16!) USER MOD Set 2.1: A 73 MET CE :methyl 178:sc= 0 (180deg=-0.00284) USER MOD Set 2.2: A 76 GLN : amide:sc= -0.375 X(o=-0.38,f=-0.36) USER MOD Set 3.1: A 47 ASN : amide:sc= -2.18 K(o=-4,f=-1.3) USER MOD Set 3.2: A 55 ASN : amide:sc= -1.78 K(o=-4,f=-0.0094) USER MOD Set 4.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 19 MET CE :methyl -147:sc= 0 (180deg=-0.59) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 164:sc= -5.59! USER MOD Single : A 38 HIS : no HD1:sc= -1.53! K(o=-1.5!,f=-0.58) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= -0.283 USER MOD Single : A 61 GLN : amide:sc= -0.0783 K(o=-0.078,f=-1.5) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 75 SER OG : rot -140:sc= -0.0796 USER MOD Single : A 77 LYS NZ :NH3+ -127:sc= 0.013 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 49:sc= 0.139 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc=-0.00513 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.523 -7.781 -21.441 1.00 0.00 N ATOM 2 CA GLY A 1 0.591 -6.936 -22.167 1.00 0.00 C ATOM 3 C GLY A 1 -0.764 -7.629 -22.330 1.00 0.00 C ATOM 4 O GLY A 1 -0.901 -8.550 -23.134 1.00 0.00 O ATOM 0 H1 GLY A 1 2.434 -7.289 -21.343 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.139 -7.990 -20.497 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.664 -8.670 -21.962 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.460 -5.993 -21.636 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.001 -6.695 -23.148 1.00 0.00 H new ATOM 8 N SER A 2 -1.730 -7.158 -21.555 1.00 0.00 N ATOM 9 CA SER A 2 -3.069 -7.721 -21.604 1.00 0.00 C ATOM 10 C SER A 2 -4.060 -6.773 -20.926 1.00 0.00 C ATOM 11 O SER A 2 -5.008 -6.306 -21.555 1.00 0.00 O ATOM 12 CB SER A 2 -3.112 -9.098 -20.940 1.00 0.00 C ATOM 13 OG SER A 2 -3.631 -10.097 -21.815 1.00 0.00 O ATOM 0 H SER A 2 -1.612 -6.393 -20.890 1.00 0.00 H new ATOM 0 HA SER A 2 -3.351 -7.843 -22.650 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.108 -9.379 -20.624 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.727 -9.048 -20.041 1.00 0.00 H new ATOM 0 HG SER A 2 -3.641 -10.962 -21.355 1.00 0.00 H new ATOM 19 N SER A 3 -3.807 -6.517 -19.651 1.00 0.00 N ATOM 20 CA SER A 3 -4.665 -5.633 -18.880 1.00 0.00 C ATOM 21 C SER A 3 -6.077 -6.216 -18.798 1.00 0.00 C ATOM 22 O SER A 3 -6.779 -6.295 -19.805 1.00 0.00 O ATOM 23 CB SER A 3 -4.703 -4.231 -19.492 1.00 0.00 C ATOM 24 OG SER A 3 -4.529 -3.215 -18.508 1.00 0.00 O ATOM 0 H SER A 3 -3.020 -6.906 -19.132 1.00 0.00 H new ATOM 0 HA SER A 3 -4.255 -5.549 -17.874 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.921 -4.143 -20.246 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.655 -4.083 -20.001 1.00 0.00 H new ATOM 0 HG SER A 3 -4.558 -2.335 -18.938 1.00 0.00 H new ATOM 30 N GLY A 4 -6.452 -6.608 -17.589 1.00 0.00 N ATOM 31 CA GLY A 4 -7.768 -7.180 -17.363 1.00 0.00 C ATOM 32 C GLY A 4 -7.740 -8.178 -16.204 1.00 0.00 C ATOM 33 O GLY A 4 -6.849 -9.023 -16.128 1.00 0.00 O ATOM 0 H GLY A 4 -5.867 -6.541 -16.756 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.482 -6.385 -17.146 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.112 -7.679 -18.269 1.00 0.00 H new ATOM 37 N SER A 5 -8.726 -8.047 -15.328 1.00 0.00 N ATOM 38 CA SER A 5 -8.826 -8.927 -14.176 1.00 0.00 C ATOM 39 C SER A 5 -8.593 -10.377 -14.603 1.00 0.00 C ATOM 40 O SER A 5 -9.057 -10.799 -15.662 1.00 0.00 O ATOM 41 CB SER A 5 -10.187 -8.787 -13.493 1.00 0.00 C ATOM 42 OG SER A 5 -10.118 -9.081 -12.100 1.00 0.00 O ATOM 0 H SER A 5 -9.463 -7.345 -15.393 1.00 0.00 H new ATOM 0 HA SER A 5 -8.058 -8.639 -13.458 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.559 -7.772 -13.631 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.903 -9.457 -13.970 1.00 0.00 H new ATOM 0 HG SER A 5 -11.007 -8.979 -11.700 1.00 0.00 H new ATOM 48 N SER A 6 -7.874 -11.101 -13.758 1.00 0.00 N ATOM 49 CA SER A 6 -7.574 -12.496 -14.035 1.00 0.00 C ATOM 50 C SER A 6 -8.057 -13.375 -12.879 1.00 0.00 C ATOM 51 O SER A 6 -7.304 -13.647 -11.945 1.00 0.00 O ATOM 52 CB SER A 6 -6.076 -12.701 -14.268 1.00 0.00 C ATOM 53 OG SER A 6 -5.820 -13.521 -15.405 1.00 0.00 O ATOM 0 H SER A 6 -7.490 -10.748 -12.881 1.00 0.00 H new ATOM 0 HA SER A 6 -8.099 -12.785 -14.946 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.594 -11.733 -14.404 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.631 -13.158 -13.384 1.00 0.00 H new ATOM 0 HG SER A 6 -4.853 -13.627 -15.521 1.00 0.00 H new ATOM 59 N GLY A 7 -9.310 -13.794 -12.980 1.00 0.00 N ATOM 60 CA GLY A 7 -9.902 -14.636 -11.955 1.00 0.00 C ATOM 61 C GLY A 7 -9.904 -13.929 -10.598 1.00 0.00 C ATOM 62 O GLY A 7 -10.618 -12.945 -10.408 1.00 0.00 O ATOM 0 H GLY A 7 -9.931 -13.566 -13.756 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.923 -14.894 -12.236 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.346 -15.571 -11.881 1.00 0.00 H new ATOM 66 N VAL A 8 -9.098 -14.458 -9.690 1.00 0.00 N ATOM 67 CA VAL A 8 -8.998 -13.889 -8.356 1.00 0.00 C ATOM 68 C VAL A 8 -7.545 -13.966 -7.881 1.00 0.00 C ATOM 69 O VAL A 8 -6.855 -14.951 -8.140 1.00 0.00 O ATOM 70 CB VAL A 8 -9.973 -14.595 -7.412 1.00 0.00 C ATOM 71 CG1 VAL A 8 -9.633 -16.081 -7.283 1.00 0.00 C ATOM 72 CG2 VAL A 8 -9.998 -13.916 -6.041 1.00 0.00 C ATOM 0 H VAL A 8 -8.508 -15.274 -9.851 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.281 -12.837 -8.367 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.971 -14.517 -7.842 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.341 -16.559 -6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.692 -16.554 -8.263 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.623 -16.190 -6.887 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.699 -14.438 -5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.001 -13.948 -5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.312 -12.878 -6.155 1.00 0.00 H new ATOM 82 N PRO A 9 -7.113 -12.886 -7.177 1.00 0.00 N ATOM 83 CA PRO A 9 -5.755 -12.821 -6.664 1.00 0.00 C ATOM 84 C PRO A 9 -5.587 -13.728 -5.443 1.00 0.00 C ATOM 85 O PRO A 9 -6.568 -14.094 -4.797 1.00 0.00 O ATOM 86 CB PRO A 9 -5.523 -11.353 -6.349 1.00 0.00 C ATOM 87 CG PRO A 9 -6.903 -10.722 -6.259 1.00 0.00 C ATOM 88 CD PRO A 9 -7.903 -11.702 -6.852 1.00 0.00 C ATOM 0 HA PRO A 9 -5.017 -13.182 -7.380 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.978 -11.236 -5.412 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.926 -10.877 -7.126 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.155 -10.500 -5.222 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.927 -9.777 -6.802 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.696 -11.937 -6.142 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.383 -11.290 -7.740 1.00 0.00 H new ATOM 96 N GLU A 10 -4.337 -14.065 -5.164 1.00 0.00 N ATOM 97 CA GLU A 10 -4.027 -14.922 -4.032 1.00 0.00 C ATOM 98 C GLU A 10 -3.387 -14.106 -2.907 1.00 0.00 C ATOM 99 O GLU A 10 -2.330 -13.506 -3.095 1.00 0.00 O ATOM 100 CB GLU A 10 -3.121 -16.081 -4.453 1.00 0.00 C ATOM 101 CG GLU A 10 -1.715 -15.582 -4.790 1.00 0.00 C ATOM 102 CD GLU A 10 -1.193 -16.237 -6.071 1.00 0.00 C ATOM 103 OE1 GLU A 10 -2.000 -16.352 -7.018 1.00 0.00 O ATOM 104 OE2 GLU A 10 0.000 -16.608 -6.073 1.00 0.00 O ATOM 0 H GLU A 10 -3.526 -13.760 -5.702 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.958 -15.349 -3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.067 -16.816 -3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.549 -16.586 -5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.729 -14.499 -4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.039 -15.802 -3.963 1.00 0.00 H new ATOM 111 N LYS A 11 -4.055 -14.109 -1.763 1.00 0.00 N ATOM 112 CA LYS A 11 -3.565 -13.376 -0.608 1.00 0.00 C ATOM 113 C LYS A 11 -2.045 -13.535 -0.517 1.00 0.00 C ATOM 114 O LYS A 11 -1.493 -14.533 -0.976 1.00 0.00 O ATOM 115 CB LYS A 11 -4.306 -13.812 0.658 1.00 0.00 C ATOM 116 CG LYS A 11 -5.789 -13.447 0.577 1.00 0.00 C ATOM 117 CD LYS A 11 -6.318 -12.998 1.941 1.00 0.00 C ATOM 118 CE LYS A 11 -7.441 -13.919 2.424 1.00 0.00 C ATOM 119 NZ LYS A 11 -8.704 -13.610 1.718 1.00 0.00 N ATOM 0 H LYS A 11 -4.932 -14.608 -1.611 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.769 -12.311 -0.718 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.199 -14.888 0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.857 -13.335 1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.932 -12.650 -0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.360 -14.307 0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.506 -12.997 2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.686 -11.974 1.873 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.166 -14.959 2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.580 -13.800 3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.455 -14.244 2.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.973 -12.623 1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.572 -13.746 0.695 1.00 0.00 H new ATOM 133 N PHE A 12 -1.413 -12.534 0.079 1.00 0.00 N ATOM 134 CA PHE A 12 0.031 -12.550 0.237 1.00 0.00 C ATOM 135 C PHE A 12 0.433 -12.132 1.652 1.00 0.00 C ATOM 136 O PHE A 12 -0.035 -11.113 2.159 1.00 0.00 O ATOM 137 CB PHE A 12 0.601 -11.540 -0.761 1.00 0.00 C ATOM 138 CG PHE A 12 -0.035 -11.612 -2.151 1.00 0.00 C ATOM 139 CD1 PHE A 12 0.485 -12.441 -3.095 1.00 0.00 C ATOM 140 CD2 PHE A 12 -1.121 -10.847 -2.442 1.00 0.00 C ATOM 141 CE1 PHE A 12 -0.105 -12.508 -4.385 1.00 0.00 C ATOM 142 CE2 PHE A 12 -1.711 -10.913 -3.732 1.00 0.00 C ATOM 143 CZ PHE A 12 -1.191 -11.743 -4.676 1.00 0.00 C ATOM 0 H PHE A 12 -1.875 -11.707 0.458 1.00 0.00 H new ATOM 0 HA PHE A 12 0.413 -13.556 0.062 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.466 -10.535 -0.362 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.675 -11.704 -0.855 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.347 -13.049 -2.864 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.535 -10.189 -1.692 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.309 -13.166 -5.135 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.573 -10.304 -3.964 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.641 -11.794 -5.657 1.00 0.00 H new ATOM 153 N LYS A 13 1.296 -12.940 2.251 1.00 0.00 N ATOM 154 CA LYS A 13 1.766 -12.666 3.599 1.00 0.00 C ATOM 155 C LYS A 13 2.466 -11.306 3.624 1.00 0.00 C ATOM 156 O LYS A 13 2.655 -10.682 2.581 1.00 0.00 O ATOM 157 CB LYS A 13 2.638 -13.817 4.106 1.00 0.00 C ATOM 158 CG LYS A 13 1.777 -14.989 4.581 1.00 0.00 C ATOM 159 CD LYS A 13 2.623 -16.024 5.326 1.00 0.00 C ATOM 160 CE LYS A 13 1.851 -16.615 6.508 1.00 0.00 C ATOM 161 NZ LYS A 13 2.208 -15.915 7.762 1.00 0.00 N ATOM 0 H LYS A 13 1.682 -13.784 1.828 1.00 0.00 H new ATOM 0 HA LYS A 13 0.926 -12.604 4.291 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.305 -14.150 3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.267 -13.468 4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.986 -14.622 5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.292 -15.459 3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.914 -16.821 4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.542 -15.559 5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.779 -16.529 6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.075 -17.678 6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.675 -16.328 8.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.228 -16.018 7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.972 -14.906 7.675 1.00 0.00 H new ATOM 175 N LEU A 14 2.833 -10.888 4.826 1.00 0.00 N ATOM 176 CA LEU A 14 3.508 -9.613 5.001 1.00 0.00 C ATOM 177 C LEU A 14 4.817 -9.834 5.762 1.00 0.00 C ATOM 178 O LEU A 14 4.980 -10.845 6.443 1.00 0.00 O ATOM 179 CB LEU A 14 2.575 -8.599 5.665 1.00 0.00 C ATOM 180 CG LEU A 14 1.582 -7.894 4.739 1.00 0.00 C ATOM 181 CD1 LEU A 14 0.140 -8.226 5.126 1.00 0.00 C ATOM 182 CD2 LEU A 14 1.835 -6.385 4.710 1.00 0.00 C ATOM 0 H LEU A 14 2.676 -11.409 5.688 1.00 0.00 H new ATOM 0 HA LEU A 14 3.769 -9.185 4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.013 -9.110 6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.185 -7.841 6.156 1.00 0.00 H new ATOM 0 HG LEU A 14 1.737 -8.266 3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.545 -7.712 4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.018 -9.302 5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.046 -7.901 6.150 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.116 -5.908 4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.724 -5.978 5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.846 -6.192 4.350 1.00 0.00 H new ATOM 194 N SER A 15 5.717 -8.873 5.619 1.00 0.00 N ATOM 195 CA SER A 15 7.007 -8.950 6.285 1.00 0.00 C ATOM 196 C SER A 15 7.034 -8.001 7.484 1.00 0.00 C ATOM 197 O SER A 15 6.451 -6.919 7.438 1.00 0.00 O ATOM 198 CB SER A 15 8.146 -8.617 5.319 1.00 0.00 C ATOM 199 OG SER A 15 7.725 -7.737 4.280 1.00 0.00 O ATOM 0 H SER A 15 5.579 -8.037 5.052 1.00 0.00 H new ATOM 0 HA SER A 15 7.151 -9.972 6.635 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.967 -8.160 5.871 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.530 -9.538 4.881 1.00 0.00 H new ATOM 0 HG SER A 15 8.504 -7.449 3.760 1.00 0.00 H new ATOM 205 N THR A 16 7.717 -8.441 8.531 1.00 0.00 N ATOM 206 CA THR A 16 7.828 -7.644 9.741 1.00 0.00 C ATOM 207 C THR A 16 7.999 -6.165 9.392 1.00 0.00 C ATOM 208 O THR A 16 7.596 -5.292 10.158 1.00 0.00 O ATOM 209 CB THR A 16 8.980 -8.209 10.575 1.00 0.00 C ATOM 210 OG1 THR A 16 8.378 -9.249 11.340 1.00 0.00 O ATOM 211 CG2 THR A 16 9.484 -7.217 11.626 1.00 0.00 C ATOM 0 H THR A 16 8.199 -9.339 8.566 1.00 0.00 H new ATOM 0 HA THR A 16 6.917 -7.701 10.337 1.00 0.00 H new ATOM 0 HB THR A 16 9.802 -8.488 9.916 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.055 -9.671 11.909 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.301 -7.668 12.190 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.840 -6.313 11.132 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.671 -6.963 12.306 1.00 0.00 H new ATOM 219 N ALA A 17 8.598 -5.929 8.233 1.00 0.00 N ATOM 220 CA ALA A 17 8.827 -4.570 7.773 1.00 0.00 C ATOM 221 C ALA A 17 7.502 -3.963 7.308 1.00 0.00 C ATOM 222 O ALA A 17 7.116 -2.886 7.760 1.00 0.00 O ATOM 223 CB ALA A 17 9.885 -4.577 6.668 1.00 0.00 C ATOM 0 H ALA A 17 8.931 -6.656 7.600 1.00 0.00 H new ATOM 0 HA ALA A 17 9.207 -3.949 8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.057 -3.558 6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.815 -4.990 7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.537 -5.188 5.835 1.00 0.00 H new ATOM 229 N LEU A 18 6.842 -4.680 6.410 1.00 0.00 N ATOM 230 CA LEU A 18 5.569 -4.226 5.879 1.00 0.00 C ATOM 231 C LEU A 18 4.508 -4.295 6.979 1.00 0.00 C ATOM 232 O LEU A 18 3.550 -3.523 6.973 1.00 0.00 O ATOM 233 CB LEU A 18 5.201 -5.014 4.620 1.00 0.00 C ATOM 234 CG LEU A 18 4.412 -4.249 3.556 1.00 0.00 C ATOM 235 CD1 LEU A 18 5.106 -2.933 3.199 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.166 -5.120 2.323 1.00 0.00 C ATOM 0 H LEU A 18 7.166 -5.572 6.037 1.00 0.00 H new ATOM 0 HA LEU A 18 5.637 -3.184 5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.120 -5.384 4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.619 -5.886 4.918 1.00 0.00 H new ATOM 0 HG LEU A 18 3.436 -3.996 3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.524 -2.409 2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.185 -2.310 4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.103 -3.141 2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.603 -4.552 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.122 -5.425 1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.598 -6.005 2.610 1.00 0.00 H new ATOM 248 N MET A 19 4.714 -5.228 7.898 1.00 0.00 N ATOM 249 CA MET A 19 3.788 -5.408 9.002 1.00 0.00 C ATOM 250 C MET A 19 3.767 -4.175 9.908 1.00 0.00 C ATOM 251 O MET A 19 2.698 -3.683 10.268 1.00 0.00 O ATOM 252 CB MET A 19 4.199 -6.635 9.819 1.00 0.00 C ATOM 253 CG MET A 19 3.038 -7.623 9.948 1.00 0.00 C ATOM 254 SD MET A 19 3.155 -8.503 11.496 1.00 0.00 S ATOM 255 CE MET A 19 4.520 -9.594 11.130 1.00 0.00 C ATOM 0 H MET A 19 5.509 -5.867 7.900 1.00 0.00 H new ATOM 0 HA MET A 19 2.788 -5.551 8.592 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.047 -7.126 9.342 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.527 -6.323 10.810 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.089 -7.090 9.894 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.056 -8.328 9.117 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.381 -10.540 11.654 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.562 -9.777 10.056 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.452 -9.133 11.456 1.00 0.00 H new ATOM 265 N ASP A 20 4.960 -3.711 10.249 1.00 0.00 N ATOM 266 CA ASP A 20 5.092 -2.544 11.105 1.00 0.00 C ATOM 267 C ASP A 20 4.473 -1.332 10.407 1.00 0.00 C ATOM 268 O ASP A 20 4.026 -0.393 11.064 1.00 0.00 O ATOM 269 CB ASP A 20 6.563 -2.230 11.384 1.00 0.00 C ATOM 270 CG ASP A 20 6.890 -1.910 12.844 1.00 0.00 C ATOM 271 OD1 ASP A 20 5.968 -1.435 13.541 1.00 0.00 O ATOM 272 OD2 ASP A 20 8.055 -2.147 13.229 1.00 0.00 O ATOM 0 H ASP A 20 5.844 -4.122 9.948 1.00 0.00 H new ATOM 0 HA ASP A 20 4.584 -2.756 12.046 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.167 -3.082 11.070 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.862 -1.383 10.766 1.00 0.00 H new ATOM 277 N VAL A 21 4.468 -1.390 9.083 1.00 0.00 N ATOM 278 CA VAL A 21 3.912 -0.308 8.288 1.00 0.00 C ATOM 279 C VAL A 21 2.392 -0.284 8.460 1.00 0.00 C ATOM 280 O VAL A 21 1.829 0.716 8.901 1.00 0.00 O ATOM 281 CB VAL A 21 4.347 -0.454 6.829 1.00 0.00 C ATOM 282 CG1 VAL A 21 3.576 0.513 5.928 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.856 -0.254 6.683 1.00 0.00 C ATOM 0 H VAL A 21 4.840 -2.170 8.541 1.00 0.00 H new ATOM 0 HA VAL A 21 4.293 0.654 8.632 1.00 0.00 H new ATOM 0 HB VAL A 21 4.112 -1.469 6.510 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.904 0.389 4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.509 0.302 5.997 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.765 1.538 6.248 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.138 -0.363 5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.126 0.744 7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.381 -1.000 7.280 1.00 0.00 H new ATOM 293 N LEU A 22 1.771 -1.398 8.102 1.00 0.00 N ATOM 294 CA LEU A 22 0.326 -1.518 8.211 1.00 0.00 C ATOM 295 C LEU A 22 -0.025 -2.223 9.523 1.00 0.00 C ATOM 296 O LEU A 22 -0.582 -1.609 10.431 1.00 0.00 O ATOM 297 CB LEU A 22 -0.249 -2.204 6.971 1.00 0.00 C ATOM 298 CG LEU A 22 0.495 -1.950 5.658 1.00 0.00 C ATOM 299 CD1 LEU A 22 0.244 -3.082 4.659 1.00 0.00 C ATOM 300 CD2 LEU A 22 0.132 -0.582 5.077 1.00 0.00 C ATOM 0 H LEU A 22 2.241 -2.226 7.736 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.137 -0.532 8.245 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.270 -3.279 7.152 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.283 -1.881 6.848 1.00 0.00 H new ATOM 0 HG LEU A 22 1.564 -1.936 5.868 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.784 -2.878 3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.592 -4.024 5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.823 -3.151 4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.675 -0.427 4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.940 -0.541 4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.402 0.199 5.788 1.00 0.00 H new ATOM 312 N GLY A 23 0.315 -3.502 9.579 1.00 0.00 N ATOM 313 CA GLY A 23 0.043 -4.297 10.764 1.00 0.00 C ATOM 314 C GLY A 23 -0.770 -5.545 10.412 1.00 0.00 C ATOM 315 O GLY A 23 -1.615 -5.980 11.193 1.00 0.00 O ATOM 0 H GLY A 23 0.776 -4.008 8.823 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.982 -4.591 11.233 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.503 -3.696 11.492 1.00 0.00 H new ATOM 319 N ILE A 24 -0.484 -6.086 9.237 1.00 0.00 N ATOM 320 CA ILE A 24 -1.178 -7.275 8.772 1.00 0.00 C ATOM 321 C ILE A 24 -0.158 -8.387 8.516 1.00 0.00 C ATOM 322 O ILE A 24 1.018 -8.114 8.281 1.00 0.00 O ATOM 323 CB ILE A 24 -2.048 -6.948 7.558 1.00 0.00 C ATOM 324 CG1 ILE A 24 -1.431 -5.820 6.729 1.00 0.00 C ATOM 325 CG2 ILE A 24 -3.483 -6.628 7.982 1.00 0.00 C ATOM 326 CD1 ILE A 24 -2.203 -5.613 5.424 1.00 0.00 C ATOM 0 H ILE A 24 0.219 -5.723 8.593 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.864 -7.639 9.537 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.090 -7.831 6.920 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.433 -4.896 7.307 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.390 -6.055 6.507 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.081 -6.399 7.100 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.911 -7.488 8.497 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.481 -5.768 8.652 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.744 -4.806 4.854 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.179 -6.531 4.837 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.237 -5.354 5.650 1.00 0.00 H new ATOM 338 N GLU A 25 -0.647 -9.618 8.570 1.00 0.00 N ATOM 339 CA GLU A 25 0.207 -10.772 8.347 1.00 0.00 C ATOM 340 C GLU A 25 0.027 -11.298 6.921 1.00 0.00 C ATOM 341 O GLU A 25 0.979 -11.777 6.307 1.00 0.00 O ATOM 342 CB GLU A 25 -0.074 -11.869 9.376 1.00 0.00 C ATOM 343 CG GLU A 25 -1.521 -12.357 9.275 1.00 0.00 C ATOM 344 CD GLU A 25 -2.181 -12.401 10.655 1.00 0.00 C ATOM 345 OE1 GLU A 25 -1.987 -13.425 11.344 1.00 0.00 O ATOM 346 OE2 GLU A 25 -2.865 -11.409 10.989 1.00 0.00 O ATOM 0 H GLU A 25 -1.623 -9.841 8.765 1.00 0.00 H new ATOM 0 HA GLU A 25 1.244 -10.461 8.470 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.607 -12.705 9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.116 -11.489 10.380 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.087 -11.696 8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.544 -13.350 8.825 1.00 0.00 H new ATOM 353 N VAL A 26 -1.202 -11.191 6.436 1.00 0.00 N ATOM 354 CA VAL A 26 -1.519 -11.650 5.095 1.00 0.00 C ATOM 355 C VAL A 26 -2.760 -10.912 4.588 1.00 0.00 C ATOM 356 O VAL A 26 -3.840 -11.041 5.162 1.00 0.00 O ATOM 357 CB VAL A 26 -1.684 -13.171 5.087 1.00 0.00 C ATOM 358 CG1 VAL A 26 -1.747 -13.723 6.513 1.00 0.00 C ATOM 359 CG2 VAL A 26 -2.918 -13.585 4.283 1.00 0.00 C ATOM 0 H VAL A 26 -1.989 -10.793 6.948 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.702 -11.422 4.411 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.808 -13.600 4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.864 -14.806 6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.826 -13.474 7.040 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.595 -13.282 7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.012 -14.671 4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.808 -13.140 4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.815 -13.240 3.254 1.00 0.00 H new ATOM 369 N GLU A 27 -2.564 -10.155 3.519 1.00 0.00 N ATOM 370 CA GLU A 27 -3.654 -9.396 2.929 1.00 0.00 C ATOM 371 C GLU A 27 -3.632 -9.534 1.405 1.00 0.00 C ATOM 372 O GLU A 27 -2.689 -10.087 0.841 1.00 0.00 O ATOM 373 CB GLU A 27 -3.588 -7.926 3.347 1.00 0.00 C ATOM 374 CG GLU A 27 -4.958 -7.426 3.810 1.00 0.00 C ATOM 375 CD GLU A 27 -5.548 -8.352 4.875 1.00 0.00 C ATOM 376 OE1 GLU A 27 -4.832 -8.604 5.868 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.703 -8.786 4.673 1.00 0.00 O ATOM 0 H GLU A 27 -1.667 -10.051 3.046 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.596 -9.802 3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.862 -7.805 4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.240 -7.321 2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.864 -6.417 4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.635 -7.368 2.958 1.00 0.00 H new ATOM 384 N THR A 28 -4.684 -9.023 0.782 1.00 0.00 N ATOM 385 CA THR A 28 -4.797 -9.082 -0.665 1.00 0.00 C ATOM 386 C THR A 28 -3.769 -8.157 -1.320 1.00 0.00 C ATOM 387 O THR A 28 -2.871 -7.650 -0.650 1.00 0.00 O ATOM 388 CB THR A 28 -6.242 -8.745 -1.040 1.00 0.00 C ATOM 389 OG1 THR A 28 -6.395 -7.385 -0.646 1.00 0.00 O ATOM 390 CG2 THR A 28 -7.260 -9.499 -0.182 1.00 0.00 C ATOM 0 H THR A 28 -5.465 -8.567 1.253 1.00 0.00 H new ATOM 0 HA THR A 28 -4.572 -10.081 -1.038 1.00 0.00 H new ATOM 0 HB THR A 28 -6.408 -8.980 -2.091 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.192 -7.008 -1.074 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.269 -9.224 -0.489 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.121 -10.572 -0.312 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.116 -9.239 0.867 1.00 0.00 H new ATOM 398 N ARG A 29 -3.935 -7.966 -2.620 1.00 0.00 N ATOM 399 CA ARG A 29 -3.032 -7.112 -3.372 1.00 0.00 C ATOM 400 C ARG A 29 -3.440 -5.645 -3.221 1.00 0.00 C ATOM 401 O ARG A 29 -2.593 -4.780 -3.004 1.00 0.00 O ATOM 402 CB ARG A 29 -3.030 -7.483 -4.856 1.00 0.00 C ATOM 403 CG ARG A 29 -1.674 -7.180 -5.496 1.00 0.00 C ATOM 404 CD ARG A 29 -1.760 -7.246 -7.022 1.00 0.00 C ATOM 405 NE ARG A 29 -1.859 -5.880 -7.583 1.00 0.00 N ATOM 406 CZ ARG A 29 -2.053 -5.613 -8.882 1.00 0.00 C ATOM 407 NH1 ARG A 29 -2.171 -6.617 -9.762 1.00 0.00 N ATOM 408 NH2 ARG A 29 -2.130 -4.343 -9.301 1.00 0.00 N ATOM 0 H ARG A 29 -4.682 -8.388 -3.172 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.029 -7.257 -2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.261 -8.542 -4.970 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.812 -6.928 -5.374 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.337 -6.190 -5.190 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.932 -7.894 -5.139 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.880 -7.750 -7.423 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.628 -7.834 -7.320 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.774 -5.092 -6.941 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.113 -7.584 -9.443 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.319 -6.414 -10.751 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.041 -3.579 -8.631 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.278 -4.140 -10.290 1.00 0.00 H new ATOM 422 N PRO A 30 -4.773 -5.404 -3.345 1.00 0.00 N ATOM 423 CA PRO A 30 -5.304 -4.056 -3.224 1.00 0.00 C ATOM 424 C PRO A 30 -5.322 -3.603 -1.763 1.00 0.00 C ATOM 425 O PRO A 30 -4.987 -2.459 -1.460 1.00 0.00 O ATOM 426 CB PRO A 30 -6.691 -4.124 -3.842 1.00 0.00 C ATOM 427 CG PRO A 30 -7.067 -5.596 -3.864 1.00 0.00 C ATOM 428 CD PRO A 30 -5.806 -6.403 -3.601 1.00 0.00 C ATOM 0 HA PRO A 30 -4.690 -3.314 -3.735 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.407 -3.547 -3.257 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.691 -3.706 -4.849 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.821 -5.809 -3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.499 -5.865 -4.828 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.933 -7.069 -2.747 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.550 -7.027 -4.457 1.00 0.00 H new ATOM 436 N ARG A 31 -5.717 -4.524 -0.896 1.00 0.00 N ATOM 437 CA ARG A 31 -5.784 -4.233 0.526 1.00 0.00 C ATOM 438 C ARG A 31 -4.472 -3.606 1.002 1.00 0.00 C ATOM 439 O ARG A 31 -4.479 -2.570 1.665 1.00 0.00 O ATOM 440 CB ARG A 31 -6.057 -5.502 1.336 1.00 0.00 C ATOM 441 CG ARG A 31 -7.510 -5.952 1.176 1.00 0.00 C ATOM 442 CD ARG A 31 -8.390 -5.372 2.285 1.00 0.00 C ATOM 443 NE ARG A 31 -8.879 -4.032 1.894 1.00 0.00 N ATOM 444 CZ ARG A 31 -9.709 -3.288 2.639 1.00 0.00 C ATOM 445 NH1 ARG A 31 -10.146 -3.749 3.819 1.00 0.00 N ATOM 446 NH2 ARG A 31 -10.101 -2.083 2.204 1.00 0.00 N ATOM 0 H ARG A 31 -5.994 -5.472 -1.151 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.604 -3.532 0.682 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.388 -6.298 1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.843 -5.319 2.389 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.888 -5.635 0.204 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.562 -7.041 1.198 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.234 -6.035 2.475 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.822 -5.305 3.213 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.565 -3.650 1.002 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.847 -4.666 4.151 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.777 -3.183 4.386 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.768 -1.732 1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.732 -1.517 2.771 1.00 0.00 H new ATOM 460 N ILE A 32 -3.376 -4.260 0.643 1.00 0.00 N ATOM 461 CA ILE A 32 -2.059 -3.779 1.025 1.00 0.00 C ATOM 462 C ILE A 32 -1.798 -2.431 0.351 1.00 0.00 C ATOM 463 O ILE A 32 -1.676 -1.409 1.025 1.00 0.00 O ATOM 464 CB ILE A 32 -0.995 -4.835 0.721 1.00 0.00 C ATOM 465 CG1 ILE A 32 -1.375 -6.187 1.328 1.00 0.00 C ATOM 466 CG2 ILE A 32 0.388 -4.368 1.181 1.00 0.00 C ATOM 467 CD1 ILE A 32 -0.405 -7.282 0.877 1.00 0.00 C ATOM 0 H ILE A 32 -3.373 -5.118 0.092 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.011 -3.612 2.101 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.946 -4.970 -0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.369 -6.116 2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.390 -6.451 1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.126 -5.137 0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.652 -3.447 0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.372 -4.187 2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.697 -8.233 1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.432 -7.367 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.605 -7.027 1.196 1.00 0.00 H new ATOM 479 N ILE A 33 -1.720 -2.471 -0.971 1.00 0.00 N ATOM 480 CA ILE A 33 -1.476 -1.265 -1.744 1.00 0.00 C ATOM 481 C ILE A 33 -2.285 -0.111 -1.150 1.00 0.00 C ATOM 482 O ILE A 33 -1.768 0.991 -0.978 1.00 0.00 O ATOM 483 CB ILE A 33 -1.755 -1.514 -3.228 1.00 0.00 C ATOM 484 CG1 ILE A 33 -0.795 -2.559 -3.799 1.00 0.00 C ATOM 485 CG2 ILE A 33 -1.716 -0.205 -4.019 1.00 0.00 C ATOM 486 CD1 ILE A 33 -1.260 -3.035 -5.177 1.00 0.00 C ATOM 0 H ILE A 33 -1.822 -3.320 -1.527 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.425 -0.980 -1.685 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.763 -1.918 -3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.206 -2.135 -3.875 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.730 -3.409 -3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.917 -0.409 -5.071 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.472 0.477 -3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.731 0.251 -3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.560 -3.777 -5.561 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.251 -3.480 -5.093 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.300 -2.187 -5.860 1.00 0.00 H new ATOM 498 N ALA A 34 -3.543 -0.405 -0.853 1.00 0.00 N ATOM 499 CA ALA A 34 -4.430 0.595 -0.282 1.00 0.00 C ATOM 500 C ALA A 34 -3.975 0.920 1.142 1.00 0.00 C ATOM 501 O ALA A 34 -3.857 2.088 1.509 1.00 0.00 O ATOM 502 CB ALA A 34 -5.872 0.087 -0.332 1.00 0.00 C ATOM 0 H ALA A 34 -3.969 -1.321 -0.997 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.390 1.518 -0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.537 0.837 0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.156 -0.101 -1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.952 -0.838 0.240 1.00 0.00 H new ATOM 508 N ALA A 35 -3.732 -0.135 1.907 1.00 0.00 N ATOM 509 CA ALA A 35 -3.293 0.024 3.283 1.00 0.00 C ATOM 510 C ALA A 35 -2.149 1.039 3.335 1.00 0.00 C ATOM 511 O ALA A 35 -1.937 1.687 4.358 1.00 0.00 O ATOM 512 CB ALA A 35 -2.890 -1.339 3.850 1.00 0.00 C ATOM 0 H ALA A 35 -3.831 -1.103 1.600 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.103 0.409 3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.560 -1.221 4.882 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.745 -2.014 3.817 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.077 -1.755 3.255 1.00 0.00 H new ATOM 518 N ILE A 36 -1.443 1.144 2.219 1.00 0.00 N ATOM 519 CA ILE A 36 -0.326 2.069 2.125 1.00 0.00 C ATOM 520 C ILE A 36 -0.838 3.433 1.658 1.00 0.00 C ATOM 521 O ILE A 36 -0.318 4.469 2.069 1.00 0.00 O ATOM 522 CB ILE A 36 0.776 1.489 1.237 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.351 0.207 1.843 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.863 2.530 0.962 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.264 -0.509 0.846 1.00 0.00 C ATOM 0 H ILE A 36 -1.622 0.604 1.372 1.00 0.00 H new ATOM 0 HA ILE A 36 0.130 2.217 3.104 1.00 0.00 H new ATOM 0 HB ILE A 36 0.335 1.222 0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.911 0.447 2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.538 -0.456 2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.634 2.092 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.424 3.390 0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.307 2.851 1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.659 -1.417 1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.695 -0.769 -0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.089 0.148 0.571 1.00 0.00 H new ATOM 537 N TRP A 37 -1.851 3.390 0.805 1.00 0.00 N ATOM 538 CA TRP A 37 -2.439 4.610 0.278 1.00 0.00 C ATOM 539 C TRP A 37 -3.057 5.380 1.447 1.00 0.00 C ATOM 540 O TRP A 37 -2.772 6.562 1.636 1.00 0.00 O ATOM 541 CB TRP A 37 -3.445 4.298 -0.831 1.00 0.00 C ATOM 542 CG TRP A 37 -2.815 3.713 -2.096 1.00 0.00 C ATOM 543 CD1 TRP A 37 -1.593 3.183 -2.240 1.00 0.00 C ATOM 544 CD2 TRP A 37 -3.430 3.618 -3.399 1.00 0.00 C ATOM 545 NE1 TRP A 37 -1.376 2.756 -3.534 1.00 0.00 N ATOM 546 CE2 TRP A 37 -2.529 3.029 -4.261 1.00 0.00 C ATOM 547 CE3 TRP A 37 -4.707 4.017 -3.833 1.00 0.00 C ATOM 548 CZ2 TRP A 37 -2.806 2.786 -5.612 1.00 0.00 C ATOM 549 CZ3 TRP A 37 -4.968 3.768 -5.186 1.00 0.00 C ATOM 550 CH2 TRP A 37 -4.072 3.176 -6.067 1.00 0.00 C ATOM 0 H TRP A 37 -2.280 2.529 0.466 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.678 5.236 -0.187 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.186 3.596 -0.448 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.978 5.212 -1.092 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.869 3.100 -1.443 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.526 2.320 -3.891 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.429 4.479 -3.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.083 2.323 -6.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.934 4.057 -5.572 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.350 3.017 -7.098 1.00 0.00 H new ATOM 561 N HIS A 38 -3.891 4.679 2.201 1.00 0.00 N ATOM 562 CA HIS A 38 -4.551 5.283 3.346 1.00 0.00 C ATOM 563 C HIS A 38 -3.502 5.741 4.361 1.00 0.00 C ATOM 564 O HIS A 38 -3.382 6.933 4.640 1.00 0.00 O ATOM 565 CB HIS A 38 -5.579 4.323 3.949 1.00 0.00 C ATOM 566 CG HIS A 38 -5.813 4.522 5.427 1.00 0.00 C ATOM 567 ND1 HIS A 38 -6.090 3.476 6.290 1.00 0.00 N ATOM 568 CD2 HIS A 38 -5.806 5.656 6.186 1.00 0.00 C ATOM 569 CE1 HIS A 38 -6.243 3.970 7.510 1.00 0.00 C ATOM 570 NE2 HIS A 38 -6.067 5.321 7.443 1.00 0.00 N ATOM 0 H HIS A 38 -4.125 3.699 2.042 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.106 6.165 3.026 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.526 4.443 3.422 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.248 3.299 3.779 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.620 6.657 5.825 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.468 3.403 8.401 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.126 5.967 8.230 1.00 0.00 H new ATOM 578 N TYR A 39 -2.769 4.770 4.886 1.00 0.00 N ATOM 579 CA TYR A 39 -1.733 5.059 5.863 1.00 0.00 C ATOM 580 C TYR A 39 -0.973 6.335 5.496 1.00 0.00 C ATOM 581 O TYR A 39 -0.916 7.277 6.285 1.00 0.00 O ATOM 582 CB TYR A 39 -0.768 3.874 5.819 1.00 0.00 C ATOM 583 CG TYR A 39 0.408 3.991 6.790 1.00 0.00 C ATOM 584 CD1 TYR A 39 0.174 4.129 8.143 1.00 0.00 C ATOM 585 CD2 TYR A 39 1.703 3.959 6.314 1.00 0.00 C ATOM 586 CE1 TYR A 39 1.281 4.240 9.058 1.00 0.00 C ATOM 587 CE2 TYR A 39 2.809 4.070 7.229 1.00 0.00 C ATOM 588 CZ TYR A 39 2.544 4.205 8.555 1.00 0.00 C ATOM 589 OH TYR A 39 3.589 4.309 9.419 1.00 0.00 O ATOM 0 H TYR A 39 -2.872 3.782 4.653 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.169 5.206 6.851 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.320 2.961 6.042 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.380 3.772 4.805 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.839 4.154 8.516 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.887 3.851 5.255 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.112 4.349 10.119 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.827 4.046 6.869 1.00 0.00 H new ATOM 0 HH TYR A 39 4.431 4.267 8.920 1.00 0.00 H new ATOM 599 N VAL A 40 -0.407 6.324 4.298 1.00 0.00 N ATOM 600 CA VAL A 40 0.347 7.469 3.816 1.00 0.00 C ATOM 601 C VAL A 40 -0.389 8.756 4.194 1.00 0.00 C ATOM 602 O VAL A 40 0.136 9.578 4.943 1.00 0.00 O ATOM 603 CB VAL A 40 0.590 7.339 2.311 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.045 8.672 1.712 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.602 6.231 2.012 1.00 0.00 C ATOM 0 H VAL A 40 -0.455 5.540 3.647 1.00 0.00 H new ATOM 0 HA VAL A 40 1.329 7.506 4.289 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.355 7.065 1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.211 8.552 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.276 9.427 1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.972 8.988 2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.756 6.160 0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.549 6.462 2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.223 5.281 2.388 1.00 0.00 H new ATOM 615 N LYS A 41 -1.593 8.890 3.659 1.00 0.00 N ATOM 616 CA LYS A 41 -2.407 10.062 3.931 1.00 0.00 C ATOM 617 C LYS A 41 -2.593 10.209 5.443 1.00 0.00 C ATOM 618 O LYS A 41 -2.680 11.323 5.956 1.00 0.00 O ATOM 619 CB LYS A 41 -3.722 9.994 3.153 1.00 0.00 C ATOM 620 CG LYS A 41 -3.487 10.216 1.657 1.00 0.00 C ATOM 621 CD LYS A 41 -4.374 9.293 0.820 1.00 0.00 C ATOM 622 CE LYS A 41 -5.818 9.797 0.793 1.00 0.00 C ATOM 623 NZ LYS A 41 -6.689 8.921 1.609 1.00 0.00 N ATOM 0 H LYS A 41 -2.025 8.206 3.038 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.904 10.964 3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.192 9.023 3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.412 10.748 3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.695 11.255 1.403 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.439 10.034 1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.986 9.234 -0.197 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.345 8.284 1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.860 10.818 1.173 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.180 9.825 -0.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.665 9.278 1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.662 7.953 1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.352 8.916 2.593 1.00 0.00 H new ATOM 637 N ALA A 42 -2.650 9.067 6.113 1.00 0.00 N ATOM 638 CA ALA A 42 -2.825 9.054 7.555 1.00 0.00 C ATOM 639 C ALA A 42 -1.757 9.939 8.202 1.00 0.00 C ATOM 640 O ALA A 42 -2.079 10.925 8.862 1.00 0.00 O ATOM 641 CB ALA A 42 -2.774 7.612 8.063 1.00 0.00 C ATOM 0 H ALA A 42 -2.578 8.145 5.684 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.799 9.461 7.827 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.905 7.603 9.145 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.571 7.033 7.596 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.810 7.171 7.811 1.00 0.00 H new ATOM 647 N ARG A 43 -0.507 9.553 7.990 1.00 0.00 N ATOM 648 CA ARG A 43 0.610 10.298 8.544 1.00 0.00 C ATOM 649 C ARG A 43 0.907 11.528 7.684 1.00 0.00 C ATOM 650 O ARG A 43 1.893 12.227 7.913 1.00 0.00 O ATOM 651 CB ARG A 43 1.866 9.427 8.627 1.00 0.00 C ATOM 652 CG ARG A 43 1.852 8.563 9.890 1.00 0.00 C ATOM 653 CD ARG A 43 0.748 7.506 9.818 1.00 0.00 C ATOM 654 NE ARG A 43 0.640 6.798 11.114 1.00 0.00 N ATOM 655 CZ ARG A 43 -0.105 7.224 12.143 1.00 0.00 C ATOM 656 NH1 ARG A 43 -0.812 8.357 12.034 1.00 0.00 N ATOM 657 NH2 ARG A 43 -0.142 6.517 13.281 1.00 0.00 N ATOM 0 H ARG A 43 -0.244 8.734 7.442 1.00 0.00 H new ATOM 0 HA ARG A 43 0.332 10.612 9.550 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.929 8.788 7.746 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.753 10.061 8.625 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.819 8.076 10.013 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.700 9.194 10.765 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.203 7.978 9.572 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.966 6.794 9.022 1.00 0.00 H new ATOM 0 HE ARG A 43 1.166 5.932 11.231 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.783 8.895 11.168 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.379 8.682 12.817 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.397 5.655 13.364 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.709 6.841 14.065 1.00 0.00 H new ATOM 671 N LYS A 44 0.035 11.755 6.712 1.00 0.00 N ATOM 672 CA LYS A 44 0.191 12.888 5.817 1.00 0.00 C ATOM 673 C LYS A 44 1.525 12.768 5.076 1.00 0.00 C ATOM 674 O LYS A 44 2.148 13.775 4.744 1.00 0.00 O ATOM 675 CB LYS A 44 0.030 14.203 6.583 1.00 0.00 C ATOM 676 CG LYS A 44 -1.422 14.682 6.550 1.00 0.00 C ATOM 677 CD LYS A 44 -1.763 15.485 7.807 1.00 0.00 C ATOM 678 CE LYS A 44 -3.060 16.274 7.618 1.00 0.00 C ATOM 679 NZ LYS A 44 -4.232 15.374 7.706 1.00 0.00 N ATOM 0 H LYS A 44 -0.782 11.173 6.525 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.595 12.887 5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.349 14.067 7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.678 14.964 6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.586 15.297 5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.090 13.824 6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.864 14.811 8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.947 16.170 8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.133 17.052 8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.050 16.774 6.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.104 15.926 7.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.168 14.647 6.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.249 14.916 8.640 1.00 0.00 H new ATOM 693 N LEU A 45 1.923 11.526 4.838 1.00 0.00 N ATOM 694 CA LEU A 45 3.171 11.261 4.142 1.00 0.00 C ATOM 695 C LEU A 45 3.032 11.678 2.677 1.00 0.00 C ATOM 696 O LEU A 45 4.030 11.849 1.979 1.00 0.00 O ATOM 697 CB LEU A 45 3.588 9.801 4.329 1.00 0.00 C ATOM 698 CG LEU A 45 4.107 9.424 5.718 1.00 0.00 C ATOM 699 CD1 LEU A 45 4.149 7.905 5.894 1.00 0.00 C ATOM 700 CD2 LEU A 45 5.466 10.071 5.990 1.00 0.00 C ATOM 0 H LEU A 45 1.403 10.693 5.115 1.00 0.00 H new ATOM 0 HA LEU A 45 3.979 11.857 4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.732 9.167 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.363 9.569 3.598 1.00 0.00 H new ATOM 0 HG LEU A 45 3.411 9.815 6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.522 7.664 6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.145 7.497 5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.810 7.470 5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.812 9.787 6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.186 9.733 5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.370 11.155 5.936 1.00 0.00 H new ATOM 712 N GLN A 46 1.785 11.830 2.254 1.00 0.00 N ATOM 713 CA GLN A 46 1.503 12.224 0.884 1.00 0.00 C ATOM 714 C GLN A 46 2.344 13.442 0.498 1.00 0.00 C ATOM 715 O GLN A 46 2.625 14.298 1.336 1.00 0.00 O ATOM 716 CB GLN A 46 0.011 12.504 0.691 1.00 0.00 C ATOM 717 CG GLN A 46 -0.325 12.689 -0.790 1.00 0.00 C ATOM 718 CD GLN A 46 -1.778 13.132 -0.972 1.00 0.00 C ATOM 719 OE1 GLN A 46 -2.526 13.301 -0.023 1.00 0.00 O ATOM 720 NE2 GLN A 46 -2.135 13.309 -2.241 1.00 0.00 N ATOM 0 H GLN A 46 0.959 11.687 2.836 1.00 0.00 H new ATOM 0 HA GLN A 46 1.773 11.398 0.226 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.573 11.680 1.100 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.269 13.399 1.246 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.343 13.431 -1.228 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.157 11.754 -1.324 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.459 13.150 -2.988 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.085 13.604 -2.467 1.00 0.00 H new ATOM 729 N ASN A 47 2.722 13.482 -0.771 1.00 0.00 N ATOM 730 CA ASN A 47 3.526 14.581 -1.279 1.00 0.00 C ATOM 731 C ASN A 47 2.615 15.592 -1.978 1.00 0.00 C ATOM 732 O ASN A 47 1.736 15.212 -2.750 1.00 0.00 O ATOM 733 CB ASN A 47 4.554 14.087 -2.298 1.00 0.00 C ATOM 734 CG ASN A 47 5.839 14.913 -2.225 1.00 0.00 C ATOM 735 OD1 ASN A 47 6.084 15.801 -3.026 1.00 0.00 O ATOM 736 ND2 ASN A 47 6.645 14.572 -1.224 1.00 0.00 N ATOM 0 H ASN A 47 2.486 12.771 -1.463 1.00 0.00 H new ATOM 0 HA ASN A 47 4.045 15.037 -0.436 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.781 13.037 -2.111 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.134 14.149 -3.302 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.529 15.063 -1.091 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.379 13.819 -0.589 1.00 0.00 H new ATOM 743 N PRO A 48 2.863 16.895 -1.674 1.00 0.00 N ATOM 744 CA PRO A 48 2.076 17.964 -2.264 1.00 0.00 C ATOM 745 C PRO A 48 2.470 18.193 -3.725 1.00 0.00 C ATOM 746 O PRO A 48 1.607 18.307 -4.594 1.00 0.00 O ATOM 747 CB PRO A 48 2.333 19.175 -1.383 1.00 0.00 C ATOM 748 CG PRO A 48 3.606 18.867 -0.612 1.00 0.00 C ATOM 749 CD PRO A 48 3.895 17.382 -0.764 1.00 0.00 C ATOM 0 HA PRO A 48 1.011 17.732 -2.298 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.449 20.077 -1.983 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.498 19.349 -0.704 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.437 19.459 -0.995 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.488 19.127 0.440 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.893 17.212 -1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.850 16.869 0.197 1.00 0.00 H new ATOM 757 N ASN A 49 3.774 18.254 -3.950 1.00 0.00 N ATOM 758 CA ASN A 49 4.294 18.467 -5.290 1.00 0.00 C ATOM 759 C ASN A 49 3.674 17.442 -6.242 1.00 0.00 C ATOM 760 O ASN A 49 3.038 17.810 -7.228 1.00 0.00 O ATOM 761 CB ASN A 49 5.813 18.289 -5.327 1.00 0.00 C ATOM 762 CG ASN A 49 6.507 19.585 -5.751 1.00 0.00 C ATOM 763 OD1 ASN A 49 6.544 19.947 -6.916 1.00 0.00 O ATOM 764 ND2 ASN A 49 7.053 20.261 -4.744 1.00 0.00 N ATOM 0 H ASN A 49 4.487 18.160 -3.226 1.00 0.00 H new ATOM 0 HA ASN A 49 4.043 19.484 -5.591 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.171 17.986 -4.343 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.072 17.490 -6.021 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.539 21.139 -4.924 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.985 19.901 -3.792 1.00 0.00 H new ATOM 771 N ASP A 50 3.882 16.176 -5.912 1.00 0.00 N ATOM 772 CA ASP A 50 3.352 15.094 -6.726 1.00 0.00 C ATOM 773 C ASP A 50 2.322 14.308 -5.912 1.00 0.00 C ATOM 774 O ASP A 50 2.653 13.731 -4.877 1.00 0.00 O ATOM 775 CB ASP A 50 4.460 14.128 -7.147 1.00 0.00 C ATOM 776 CG ASP A 50 5.205 14.516 -8.426 1.00 0.00 C ATOM 777 OD1 ASP A 50 5.477 15.726 -8.579 1.00 0.00 O ATOM 778 OD2 ASP A 50 5.485 13.594 -9.222 1.00 0.00 O ATOM 0 H ASP A 50 4.410 15.875 -5.093 1.00 0.00 H new ATOM 0 HA ASP A 50 2.899 15.531 -7.616 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.182 14.050 -6.334 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.025 13.138 -7.284 1.00 0.00 H new ATOM 783 N PRO A 51 1.062 14.309 -6.424 1.00 0.00 N ATOM 784 CA PRO A 51 -0.018 13.602 -5.756 1.00 0.00 C ATOM 785 C PRO A 51 0.104 12.091 -5.966 1.00 0.00 C ATOM 786 O PRO A 51 -0.513 11.309 -5.244 1.00 0.00 O ATOM 787 CB PRO A 51 -1.292 14.183 -6.346 1.00 0.00 C ATOM 788 CG PRO A 51 -0.881 14.855 -7.646 1.00 0.00 C ATOM 789 CD PRO A 51 0.634 14.980 -7.648 1.00 0.00 C ATOM 0 HA PRO A 51 -0.001 13.732 -4.674 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.030 13.402 -6.527 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.747 14.900 -5.663 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.217 14.269 -8.501 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.345 15.838 -7.731 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.069 14.510 -8.530 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.945 16.025 -7.657 1.00 0.00 H new ATOM 797 N SER A 52 0.902 11.726 -6.958 1.00 0.00 N ATOM 798 CA SER A 52 1.112 10.323 -7.272 1.00 0.00 C ATOM 799 C SER A 52 2.241 9.757 -6.408 1.00 0.00 C ATOM 800 O SER A 52 2.394 8.541 -6.300 1.00 0.00 O ATOM 801 CB SER A 52 1.433 10.133 -8.756 1.00 0.00 C ATOM 802 OG SER A 52 0.364 10.565 -9.593 1.00 0.00 O ATOM 0 H SER A 52 1.411 12.378 -7.555 1.00 0.00 H new ATOM 0 HA SER A 52 0.191 9.782 -7.055 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.336 10.689 -9.006 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.643 9.081 -8.950 1.00 0.00 H new ATOM 0 HG SER A 52 0.608 10.429 -10.532 1.00 0.00 H new ATOM 808 N PHE A 53 3.002 10.665 -5.816 1.00 0.00 N ATOM 809 CA PHE A 53 4.112 10.271 -4.965 1.00 0.00 C ATOM 810 C PHE A 53 3.809 10.567 -3.495 1.00 0.00 C ATOM 811 O PHE A 53 2.766 11.136 -3.175 1.00 0.00 O ATOM 812 CB PHE A 53 5.324 11.098 -5.399 1.00 0.00 C ATOM 813 CG PHE A 53 6.308 10.339 -6.293 1.00 0.00 C ATOM 814 CD1 PHE A 53 7.147 9.417 -5.750 1.00 0.00 C ATOM 815 CD2 PHE A 53 6.342 10.587 -7.630 1.00 0.00 C ATOM 816 CE1 PHE A 53 8.060 8.713 -6.580 1.00 0.00 C ATOM 817 CE2 PHE A 53 7.254 9.882 -8.459 1.00 0.00 C ATOM 818 CZ PHE A 53 8.094 8.960 -7.916 1.00 0.00 C ATOM 0 H PHE A 53 2.872 11.672 -5.909 1.00 0.00 H new ATOM 0 HA PHE A 53 4.293 9.201 -5.063 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.975 11.984 -5.930 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.851 11.446 -4.510 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.119 9.220 -4.688 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.676 11.320 -8.061 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.727 7.981 -6.149 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.281 10.078 -9.521 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.788 8.424 -8.547 1.00 0.00 H new ATOM 828 N PHE A 54 4.738 10.167 -2.640 1.00 0.00 N ATOM 829 CA PHE A 54 4.583 10.383 -1.211 1.00 0.00 C ATOM 830 C PHE A 54 5.910 10.178 -0.478 1.00 0.00 C ATOM 831 O PHE A 54 6.793 9.475 -0.969 1.00 0.00 O ATOM 832 CB PHE A 54 3.573 9.349 -0.710 1.00 0.00 C ATOM 833 CG PHE A 54 3.957 7.901 -1.022 1.00 0.00 C ATOM 834 CD1 PHE A 54 4.940 7.290 -0.308 1.00 0.00 C ATOM 835 CD2 PHE A 54 3.316 7.226 -2.013 1.00 0.00 C ATOM 836 CE1 PHE A 54 5.297 5.946 -0.597 1.00 0.00 C ATOM 837 CE2 PHE A 54 3.673 5.882 -2.302 1.00 0.00 C ATOM 838 CZ PHE A 54 4.656 5.271 -1.588 1.00 0.00 C ATOM 0 H PHE A 54 5.601 9.694 -2.909 1.00 0.00 H new ATOM 0 HA PHE A 54 4.249 11.403 -1.023 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.460 9.460 0.368 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.601 9.560 -1.156 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.449 7.827 0.479 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.536 7.712 -2.580 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.077 5.460 -0.030 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.164 5.345 -3.089 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.928 4.249 -1.808 1.00 0.00 H new ATOM 848 N ASN A 55 6.010 10.804 0.685 1.00 0.00 N ATOM 849 CA ASN A 55 7.215 10.699 1.491 1.00 0.00 C ATOM 850 C ASN A 55 7.245 9.333 2.180 1.00 0.00 C ATOM 851 O ASN A 55 6.220 8.856 2.665 1.00 0.00 O ATOM 852 CB ASN A 55 7.248 11.777 2.575 1.00 0.00 C ATOM 853 CG ASN A 55 7.716 13.117 2.003 1.00 0.00 C ATOM 854 OD1 ASN A 55 8.893 13.440 1.995 1.00 0.00 O ATOM 855 ND2 ASN A 55 6.733 13.875 1.527 1.00 0.00 N ATOM 0 H ASN A 55 5.276 11.386 1.089 1.00 0.00 H new ATOM 0 HA ASN A 55 8.074 10.825 0.832 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.255 11.890 3.010 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.915 11.468 3.380 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.943 14.788 1.124 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.769 13.543 1.565 1.00 0.00 H new ATOM 862 N CYS A 56 8.431 8.743 2.202 1.00 0.00 N ATOM 863 CA CYS A 56 8.608 7.442 2.825 1.00 0.00 C ATOM 864 C CYS A 56 9.137 7.656 4.244 1.00 0.00 C ATOM 865 O CYS A 56 10.251 8.146 4.427 1.00 0.00 O ATOM 866 CB CYS A 56 9.531 6.542 2.001 1.00 0.00 C ATOM 867 SG CYS A 56 8.600 5.792 0.615 1.00 0.00 S ATOM 0 H CYS A 56 9.279 9.142 1.799 1.00 0.00 H new ATOM 0 HA CYS A 56 7.650 6.924 2.871 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.369 7.123 1.615 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.950 5.760 2.634 1.00 0.00 H new ATOM 0 HG CYS A 56 9.393 5.031 -0.079 1.00 0.00 H new ATOM 873 N ASP A 57 8.315 7.279 5.212 1.00 0.00 N ATOM 874 CA ASP A 57 8.686 7.424 6.609 1.00 0.00 C ATOM 875 C ASP A 57 9.899 6.539 6.904 1.00 0.00 C ATOM 876 O ASP A 57 10.577 6.082 5.984 1.00 0.00 O ATOM 877 CB ASP A 57 7.546 6.985 7.530 1.00 0.00 C ATOM 878 CG ASP A 57 7.046 8.061 8.496 1.00 0.00 C ATOM 879 OD1 ASP A 57 7.305 9.249 8.207 1.00 0.00 O ATOM 880 OD2 ASP A 57 6.414 7.671 9.502 1.00 0.00 O ATOM 0 H ASP A 57 7.392 6.873 5.056 1.00 0.00 H new ATOM 0 HA ASP A 57 8.912 8.475 6.791 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.710 6.653 6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.878 6.123 8.109 1.00 0.00 H new ATOM 885 N ALA A 58 10.137 6.324 8.189 1.00 0.00 N ATOM 886 CA ALA A 58 11.256 5.503 8.617 1.00 0.00 C ATOM 887 C ALA A 58 10.915 4.028 8.394 1.00 0.00 C ATOM 888 O ALA A 58 11.809 3.194 8.259 1.00 0.00 O ATOM 889 CB ALA A 58 11.587 5.811 10.078 1.00 0.00 C ATOM 0 H ALA A 58 9.573 6.705 8.949 1.00 0.00 H new ATOM 0 HA ALA A 58 12.145 5.729 8.028 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.427 5.195 10.399 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.851 6.864 10.177 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.719 5.594 10.701 1.00 0.00 H new ATOM 895 N ALA A 59 9.619 3.751 8.363 1.00 0.00 N ATOM 896 CA ALA A 59 9.149 2.392 8.160 1.00 0.00 C ATOM 897 C ALA A 59 9.072 2.103 6.659 1.00 0.00 C ATOM 898 O ALA A 59 9.729 1.188 6.165 1.00 0.00 O ATOM 899 CB ALA A 59 7.801 2.208 8.859 1.00 0.00 C ATOM 0 H ALA A 59 8.880 4.445 8.475 1.00 0.00 H new ATOM 0 HA ALA A 59 9.844 1.676 8.599 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.448 1.188 8.707 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.916 2.397 9.926 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.077 2.908 8.443 1.00 0.00 H new ATOM 905 N LEU A 60 8.263 2.900 5.976 1.00 0.00 N ATOM 906 CA LEU A 60 8.092 2.741 4.542 1.00 0.00 C ATOM 907 C LEU A 60 9.462 2.558 3.886 1.00 0.00 C ATOM 908 O LEU A 60 9.568 1.950 2.822 1.00 0.00 O ATOM 909 CB LEU A 60 7.286 3.907 3.967 1.00 0.00 C ATOM 910 CG LEU A 60 5.771 3.842 4.173 1.00 0.00 C ATOM 911 CD1 LEU A 60 5.134 5.223 4.002 1.00 0.00 C ATOM 912 CD2 LEU A 60 5.136 2.800 3.250 1.00 0.00 C ATOM 0 H LEU A 60 7.719 3.657 6.389 1.00 0.00 H new ATOM 0 HA LEU A 60 7.512 1.844 4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.654 4.831 4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.485 3.967 2.897 1.00 0.00 H new ATOM 0 HG LEU A 60 5.580 3.524 5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.057 5.148 4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.557 5.912 4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.334 5.594 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.059 2.774 3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.336 3.064 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.560 1.819 3.463 1.00 0.00 H new ATOM 924 N GLN A 61 10.476 3.094 4.548 1.00 0.00 N ATOM 925 CA GLN A 61 11.835 2.997 4.043 1.00 0.00 C ATOM 926 C GLN A 61 12.351 1.563 4.179 1.00 0.00 C ATOM 927 O GLN A 61 12.894 1.002 3.229 1.00 0.00 O ATOM 928 CB GLN A 61 12.759 3.983 4.761 1.00 0.00 C ATOM 929 CG GLN A 61 12.825 5.317 4.014 1.00 0.00 C ATOM 930 CD GLN A 61 14.131 6.053 4.320 1.00 0.00 C ATOM 931 OE1 GLN A 61 14.932 5.634 5.139 1.00 0.00 O ATOM 932 NE2 GLN A 61 14.299 7.170 3.619 1.00 0.00 N ATOM 0 H GLN A 61 10.384 3.597 5.430 1.00 0.00 H new ATOM 0 HA GLN A 61 11.828 3.261 2.985 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.401 4.149 5.777 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.759 3.557 4.841 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.745 5.141 2.941 1.00 0.00 H new ATOM 0 HG3 GLN A 61 11.977 5.940 4.299 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.588 7.463 2.949 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.139 7.734 3.751 1.00 0.00 H new ATOM 941 N LYS A 62 12.164 1.012 5.369 1.00 0.00 N ATOM 942 CA LYS A 62 12.603 -0.346 5.642 1.00 0.00 C ATOM 943 C LYS A 62 12.020 -1.288 4.587 1.00 0.00 C ATOM 944 O LYS A 62 12.554 -2.371 4.353 1.00 0.00 O ATOM 945 CB LYS A 62 12.258 -0.743 7.079 1.00 0.00 C ATOM 946 CG LYS A 62 10.909 -1.462 7.140 1.00 0.00 C ATOM 947 CD LYS A 62 10.420 -1.587 8.584 1.00 0.00 C ATOM 948 CE LYS A 62 11.352 -2.483 9.403 1.00 0.00 C ATOM 949 NZ LYS A 62 11.465 -1.982 10.791 1.00 0.00 N ATOM 0 H LYS A 62 11.714 1.481 6.155 1.00 0.00 H new ATOM 0 HA LYS A 62 13.688 -0.417 5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.038 -1.391 7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.229 0.146 7.709 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.174 -0.915 6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.001 -2.453 6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.366 -0.599 9.040 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.411 -1.999 8.596 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.972 -3.505 9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.338 -2.512 8.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.101 -2.601 11.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.849 -1.015 10.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.525 -1.977 11.236 1.00 0.00 H new ATOM 963 N VAL A 63 10.931 -0.842 3.978 1.00 0.00 N ATOM 964 CA VAL A 63 10.269 -1.632 2.954 1.00 0.00 C ATOM 965 C VAL A 63 10.872 -1.296 1.588 1.00 0.00 C ATOM 966 O VAL A 63 11.577 -2.113 0.999 1.00 0.00 O ATOM 967 CB VAL A 63 8.757 -1.404 3.013 1.00 0.00 C ATOM 968 CG1 VAL A 63 8.050 -2.116 1.858 1.00 0.00 C ATOM 969 CG2 VAL A 63 8.188 -1.848 4.362 1.00 0.00 C ATOM 0 H VAL A 63 10.490 0.057 4.174 1.00 0.00 H new ATOM 0 HA VAL A 63 10.430 -2.696 3.128 1.00 0.00 H new ATOM 0 HB VAL A 63 8.575 -0.334 2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.977 -1.938 1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.425 -1.731 0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.244 -3.187 1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.112 -1.675 4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.387 -2.909 4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.659 -1.276 5.162 1.00 0.00 H new ATOM 979 N PHE A 64 10.572 -0.091 1.125 1.00 0.00 N ATOM 980 CA PHE A 64 11.075 0.363 -0.160 1.00 0.00 C ATOM 981 C PHE A 64 12.561 0.719 -0.072 1.00 0.00 C ATOM 982 O PHE A 64 13.396 0.068 -0.698 1.00 0.00 O ATOM 983 CB PHE A 64 10.284 1.619 -0.532 1.00 0.00 C ATOM 984 CG PHE A 64 8.772 1.398 -0.620 1.00 0.00 C ATOM 985 CD1 PHE A 64 8.260 0.576 -1.576 1.00 0.00 C ATOM 986 CD2 PHE A 64 7.941 2.023 0.256 1.00 0.00 C ATOM 987 CE1 PHE A 64 6.857 0.372 -1.658 1.00 0.00 C ATOM 988 CE2 PHE A 64 6.538 1.819 0.173 1.00 0.00 C ATOM 989 CZ PHE A 64 6.026 0.997 -0.782 1.00 0.00 C ATOM 0 H PHE A 64 9.987 0.584 1.617 1.00 0.00 H new ATOM 0 HA PHE A 64 10.960 -0.425 -0.904 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.485 2.395 0.207 1.00 0.00 H new ATOM 0 HB3 PHE A 64 10.643 1.991 -1.491 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.920 0.079 -2.272 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.348 2.675 1.015 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.450 -0.280 -2.417 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.878 2.316 0.868 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.959 0.841 -0.844 1.00 0.00 H new ATOM 999 N GLY A 65 12.845 1.751 0.709 1.00 0.00 N ATOM 1000 CA GLY A 65 14.215 2.200 0.886 1.00 0.00 C ATOM 1001 C GLY A 65 14.451 3.533 0.172 1.00 0.00 C ATOM 1002 O GLY A 65 15.542 4.097 0.248 1.00 0.00 O ATOM 0 H GLY A 65 12.150 2.289 1.226 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.431 2.309 1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.901 1.448 0.497 1.00 0.00 H new ATOM 1006 N GLU A 66 13.411 3.998 -0.504 1.00 0.00 N ATOM 1007 CA GLU A 66 13.492 5.254 -1.231 1.00 0.00 C ATOM 1008 C GLU A 66 12.812 6.371 -0.437 1.00 0.00 C ATOM 1009 O GLU A 66 11.799 6.141 0.222 1.00 0.00 O ATOM 1010 CB GLU A 66 12.878 5.121 -2.626 1.00 0.00 C ATOM 1011 CG GLU A 66 13.575 4.020 -3.429 1.00 0.00 C ATOM 1012 CD GLU A 66 13.898 4.496 -4.846 1.00 0.00 C ATOM 1013 OE1 GLU A 66 12.996 4.379 -5.704 1.00 0.00 O ATOM 1014 OE2 GLU A 66 15.039 4.967 -5.040 1.00 0.00 O ATOM 0 H GLU A 66 12.508 3.528 -0.564 1.00 0.00 H new ATOM 0 HA GLU A 66 14.544 5.512 -1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.815 4.896 -2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.960 6.070 -3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.494 3.722 -2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.936 3.138 -3.475 1.00 0.00 H new ATOM 1021 N GLU A 67 13.397 7.557 -0.525 1.00 0.00 N ATOM 1022 CA GLU A 67 12.860 8.710 0.177 1.00 0.00 C ATOM 1023 C GLU A 67 11.367 8.864 -0.119 1.00 0.00 C ATOM 1024 O GLU A 67 10.578 9.152 0.780 1.00 0.00 O ATOM 1025 CB GLU A 67 13.626 9.982 -0.193 1.00 0.00 C ATOM 1026 CG GLU A 67 13.551 10.250 -1.697 1.00 0.00 C ATOM 1027 CD GLU A 67 14.271 11.551 -2.059 1.00 0.00 C ATOM 1028 OE1 GLU A 67 15.496 11.607 -1.819 1.00 0.00 O ATOM 1029 OE2 GLU A 67 13.579 12.459 -2.567 1.00 0.00 O ATOM 0 H GLU A 67 14.237 7.744 -1.072 1.00 0.00 H new ATOM 0 HA GLU A 67 12.983 8.549 1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.213 10.831 0.352 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.668 9.884 0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.999 9.419 -2.241 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.508 10.309 -2.008 1.00 0.00 H new ATOM 1036 N LYS A 68 11.023 8.664 -1.383 1.00 0.00 N ATOM 1037 CA LYS A 68 9.638 8.777 -1.809 1.00 0.00 C ATOM 1038 C LYS A 68 9.325 7.666 -2.812 1.00 0.00 C ATOM 1039 O LYS A 68 10.232 6.994 -3.303 1.00 0.00 O ATOM 1040 CB LYS A 68 9.354 10.183 -2.340 1.00 0.00 C ATOM 1041 CG LYS A 68 10.452 10.638 -3.304 1.00 0.00 C ATOM 1042 CD LYS A 68 9.856 11.116 -4.629 1.00 0.00 C ATOM 1043 CE LYS A 68 9.158 12.467 -4.461 1.00 0.00 C ATOM 1044 NZ LYS A 68 10.129 13.574 -4.605 1.00 0.00 N ATOM 0 H LYS A 68 11.679 8.424 -2.126 1.00 0.00 H new ATOM 0 HA LYS A 68 8.966 8.640 -0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.390 10.195 -2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.284 10.883 -1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.029 11.443 -2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.143 9.815 -3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.644 11.201 -5.377 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.144 10.378 -4.999 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.368 12.570 -5.205 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.682 12.518 -3.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.638 14.484 -4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.868 13.484 -3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.564 13.534 -5.549 1.00 0.00 H new ATOM 1058 N LEU A 69 8.039 7.505 -3.088 1.00 0.00 N ATOM 1059 CA LEU A 69 7.596 6.487 -4.024 1.00 0.00 C ATOM 1060 C LEU A 69 6.233 6.883 -4.595 1.00 0.00 C ATOM 1061 O LEU A 69 5.569 7.773 -4.064 1.00 0.00 O ATOM 1062 CB LEU A 69 7.607 5.108 -3.361 1.00 0.00 C ATOM 1063 CG LEU A 69 8.227 3.974 -4.180 1.00 0.00 C ATOM 1064 CD1 LEU A 69 9.167 3.127 -3.321 1.00 0.00 C ATOM 1065 CD2 LEU A 69 7.144 3.127 -4.851 1.00 0.00 C ATOM 0 H LEU A 69 7.290 8.063 -2.679 1.00 0.00 H new ATOM 0 HA LEU A 69 8.286 6.417 -4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.147 5.185 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.580 4.835 -3.119 1.00 0.00 H new ATOM 0 HG LEU A 69 8.828 4.416 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.594 2.328 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.968 3.755 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.610 2.693 -2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.611 2.328 -5.427 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.497 2.694 -4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.551 3.755 -5.516 1.00 0.00 H new ATOM 1077 N LYS A 70 5.856 6.204 -5.668 1.00 0.00 N ATOM 1078 CA LYS A 70 4.584 6.475 -6.317 1.00 0.00 C ATOM 1079 C LYS A 70 3.491 5.631 -5.658 1.00 0.00 C ATOM 1080 O LYS A 70 3.777 4.594 -5.062 1.00 0.00 O ATOM 1081 CB LYS A 70 4.697 6.264 -7.828 1.00 0.00 C ATOM 1082 CG LYS A 70 5.942 6.956 -8.386 1.00 0.00 C ATOM 1083 CD LYS A 70 6.139 6.620 -9.866 1.00 0.00 C ATOM 1084 CE LYS A 70 5.728 7.796 -10.754 1.00 0.00 C ATOM 1085 NZ LYS A 70 5.508 7.342 -12.146 1.00 0.00 N ATOM 0 H LYS A 70 6.409 5.466 -6.105 1.00 0.00 H new ATOM 0 HA LYS A 70 4.304 7.520 -6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.740 5.197 -8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.807 6.655 -8.321 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.848 8.035 -8.264 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.820 6.646 -7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.184 6.369 -10.050 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.549 5.741 -10.125 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.817 8.252 -10.366 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.502 8.563 -10.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.230 8.152 -12.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.386 6.928 -12.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.753 6.626 -12.163 1.00 0.00 H new ATOM 1099 N PHE A 71 2.261 6.107 -5.788 1.00 0.00 N ATOM 1100 CA PHE A 71 1.124 5.409 -5.212 1.00 0.00 C ATOM 1101 C PHE A 71 0.740 4.195 -6.060 1.00 0.00 C ATOM 1102 O PHE A 71 -0.047 3.354 -5.627 1.00 0.00 O ATOM 1103 CB PHE A 71 -0.045 6.396 -5.196 1.00 0.00 C ATOM 1104 CG PHE A 71 -0.049 7.336 -3.990 1.00 0.00 C ATOM 1105 CD1 PHE A 71 -0.058 6.825 -2.729 1.00 0.00 C ATOM 1106 CD2 PHE A 71 -0.043 8.683 -4.177 1.00 0.00 C ATOM 1107 CE1 PHE A 71 -0.062 7.698 -1.609 1.00 0.00 C ATOM 1108 CE2 PHE A 71 -0.047 9.556 -3.057 1.00 0.00 C ATOM 1109 CZ PHE A 71 -0.056 9.045 -1.797 1.00 0.00 C ATOM 0 H PHE A 71 2.027 6.967 -6.284 1.00 0.00 H new ATOM 0 HA PHE A 71 1.372 5.056 -4.211 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.016 6.992 -6.108 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.980 5.836 -5.210 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.062 5.755 -2.580 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -0.035 9.089 -5.178 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.070 7.292 -0.608 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.043 10.626 -3.206 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.058 9.709 -0.945 1.00 0.00 H new ATOM 1119 N THR A 72 1.312 4.142 -7.254 1.00 0.00 N ATOM 1120 CA THR A 72 1.039 3.045 -8.167 1.00 0.00 C ATOM 1121 C THR A 72 2.205 2.053 -8.172 1.00 0.00 C ATOM 1122 O THR A 72 1.996 0.845 -8.271 1.00 0.00 O ATOM 1123 CB THR A 72 0.741 3.639 -9.545 1.00 0.00 C ATOM 1124 OG1 THR A 72 2.026 3.960 -10.070 1.00 0.00 O ATOM 1125 CG2 THR A 72 0.026 4.989 -9.458 1.00 0.00 C ATOM 0 H THR A 72 1.964 4.841 -7.610 1.00 0.00 H new ATOM 0 HA THR A 72 0.167 2.473 -7.849 1.00 0.00 H new ATOM 0 HB THR A 72 0.130 2.941 -10.117 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.926 4.350 -10.964 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.162 5.367 -10.463 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.922 4.866 -8.934 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.651 5.698 -8.915 1.00 0.00 H new ATOM 1133 N MET A 73 3.406 2.601 -8.065 1.00 0.00 N ATOM 1134 CA MET A 73 4.605 1.780 -8.057 1.00 0.00 C ATOM 1135 C MET A 73 4.606 0.823 -6.862 1.00 0.00 C ATOM 1136 O MET A 73 5.254 -0.222 -6.900 1.00 0.00 O ATOM 1137 CB MET A 73 5.840 2.680 -7.991 1.00 0.00 C ATOM 1138 CG MET A 73 5.968 3.529 -9.257 1.00 0.00 C ATOM 1139 SD MET A 73 6.703 2.565 -10.567 1.00 0.00 S ATOM 1140 CE MET A 73 8.427 2.944 -10.301 1.00 0.00 C ATOM 0 H MET A 73 3.575 3.604 -7.983 1.00 0.00 H new ATOM 0 HA MET A 73 4.624 1.189 -8.973 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.775 3.330 -7.118 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.734 2.069 -7.867 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.986 3.887 -9.565 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.579 4.409 -9.055 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.036 2.392 -11.017 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.589 4.013 -10.436 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.710 2.659 -9.288 1.00 0.00 H new ATOM 1150 N VAL A 74 3.872 1.215 -5.831 1.00 0.00 N ATOM 1151 CA VAL A 74 3.780 0.405 -4.628 1.00 0.00 C ATOM 1152 C VAL A 74 3.494 -1.047 -5.016 1.00 0.00 C ATOM 1153 O VAL A 74 3.970 -1.973 -4.361 1.00 0.00 O ATOM 1154 CB VAL A 74 2.728 0.989 -3.683 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.432 0.029 -2.530 1.00 0.00 C ATOM 1156 CG2 VAL A 74 3.162 2.359 -3.158 1.00 0.00 C ATOM 0 H VAL A 74 3.336 2.082 -5.804 1.00 0.00 H new ATOM 0 HA VAL A 74 4.726 0.417 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 74 1.807 1.124 -4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.681 0.469 -1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.058 -0.914 -2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.346 -0.153 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.396 2.751 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.102 2.260 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.297 3.043 -3.995 1.00 0.00 H new ATOM 1166 N SER A 75 2.720 -1.200 -6.080 1.00 0.00 N ATOM 1167 CA SER A 75 2.365 -2.524 -6.563 1.00 0.00 C ATOM 1168 C SER A 75 3.613 -3.245 -7.075 1.00 0.00 C ATOM 1169 O SER A 75 3.806 -4.429 -6.803 1.00 0.00 O ATOM 1170 CB SER A 75 1.309 -2.443 -7.667 1.00 0.00 C ATOM 1171 OG SER A 75 0.551 -3.645 -7.770 1.00 0.00 O ATOM 0 H SER A 75 2.329 -0.429 -6.621 1.00 0.00 H new ATOM 0 HA SER A 75 1.941 -3.089 -5.733 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.638 -1.608 -7.466 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.796 -2.239 -8.620 1.00 0.00 H new ATOM 0 HG SER A 75 0.393 -3.852 -8.715 1.00 0.00 H new ATOM 1177 N GLN A 76 4.429 -2.502 -7.808 1.00 0.00 N ATOM 1178 CA GLN A 76 5.653 -3.056 -8.360 1.00 0.00 C ATOM 1179 C GLN A 76 6.813 -2.861 -7.382 1.00 0.00 C ATOM 1180 O GLN A 76 7.973 -2.819 -7.789 1.00 0.00 O ATOM 1181 CB GLN A 76 5.973 -2.432 -9.720 1.00 0.00 C ATOM 1182 CG GLN A 76 6.387 -0.967 -9.568 1.00 0.00 C ATOM 1183 CD GLN A 76 7.590 -0.643 -10.455 1.00 0.00 C ATOM 1184 OE1 GLN A 76 7.501 -0.586 -11.670 1.00 0.00 O ATOM 1185 NE2 GLN A 76 8.718 -0.434 -9.782 1.00 0.00 N ATOM 0 H GLN A 76 4.266 -1.520 -8.032 1.00 0.00 H new ATOM 0 HA GLN A 76 5.507 -4.125 -8.512 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.775 -2.992 -10.201 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.101 -2.501 -10.370 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.551 -0.320 -9.832 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.633 -0.761 -8.526 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.724 -0.497 -8.764 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.577 -0.211 -10.284 1.00 0.00 H new ATOM 1194 N LYS A 77 6.460 -2.747 -6.110 1.00 0.00 N ATOM 1195 CA LYS A 77 7.457 -2.558 -5.070 1.00 0.00 C ATOM 1196 C LYS A 77 7.131 -3.469 -3.885 1.00 0.00 C ATOM 1197 O LYS A 77 8.011 -4.151 -3.361 1.00 0.00 O ATOM 1198 CB LYS A 77 7.567 -1.078 -4.696 1.00 0.00 C ATOM 1199 CG LYS A 77 8.052 -0.247 -5.886 1.00 0.00 C ATOM 1200 CD LYS A 77 9.517 0.159 -5.710 1.00 0.00 C ATOM 1201 CE LYS A 77 9.832 1.431 -6.501 1.00 0.00 C ATOM 1202 NZ LYS A 77 11.286 1.705 -6.484 1.00 0.00 N ATOM 0 H LYS A 77 5.497 -2.782 -5.776 1.00 0.00 H new ATOM 0 HA LYS A 77 8.444 -2.846 -5.432 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.597 -0.710 -4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.257 -0.961 -3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.938 -0.821 -6.806 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.433 0.645 -5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.729 0.322 -4.653 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.165 -0.651 -6.044 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.489 1.321 -7.530 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.292 2.276 -6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.452 2.678 -6.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.757 1.038 -5.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.672 1.591 -7.443 1.00 0.00 H new ATOM 1216 N ILE A 78 5.864 -3.450 -3.496 1.00 0.00 N ATOM 1217 CA ILE A 78 5.412 -4.266 -2.383 1.00 0.00 C ATOM 1218 C ILE A 78 5.384 -5.735 -2.810 1.00 0.00 C ATOM 1219 O ILE A 78 5.560 -6.629 -1.984 1.00 0.00 O ATOM 1220 CB ILE A 78 4.070 -3.754 -1.854 1.00 0.00 C ATOM 1221 CG1 ILE A 78 2.970 -3.912 -2.906 1.00 0.00 C ATOM 1222 CG2 ILE A 78 4.190 -2.311 -1.361 1.00 0.00 C ATOM 1223 CD1 ILE A 78 1.985 -5.013 -2.509 1.00 0.00 C ATOM 0 H ILE A 78 5.137 -2.882 -3.932 1.00 0.00 H new ATOM 0 HA ILE A 78 6.108 -4.190 -1.548 1.00 0.00 H new ATOM 0 HB ILE A 78 3.785 -4.364 -0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.437 -2.968 -3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.417 -4.150 -3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.223 -1.971 -0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.924 -2.261 -0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.508 -1.671 -2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.214 -5.104 -3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.516 -5.960 -2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.522 -4.760 -1.555 1.00 0.00 H new ATOM 1235 N SER A 79 5.162 -5.939 -4.100 1.00 0.00 N ATOM 1236 CA SER A 79 5.109 -7.284 -4.647 1.00 0.00 C ATOM 1237 C SER A 79 6.298 -8.102 -4.140 1.00 0.00 C ATOM 1238 O SER A 79 6.228 -9.328 -4.070 1.00 0.00 O ATOM 1239 CB SER A 79 5.098 -7.256 -6.177 1.00 0.00 C ATOM 1240 OG SER A 79 6.372 -6.909 -6.714 1.00 0.00 O ATOM 0 H SER A 79 5.017 -5.195 -4.783 1.00 0.00 H new ATOM 0 HA SER A 79 4.184 -7.753 -4.312 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.799 -8.234 -6.555 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.352 -6.539 -6.521 1.00 0.00 H new ATOM 0 HG SER A 79 6.324 -6.904 -7.693 1.00 0.00 H new ATOM 1246 N HIS A 80 7.363 -7.391 -3.799 1.00 0.00 N ATOM 1247 CA HIS A 80 8.566 -8.036 -3.300 1.00 0.00 C ATOM 1248 C HIS A 80 8.306 -8.591 -1.898 1.00 0.00 C ATOM 1249 O HIS A 80 8.751 -9.690 -1.570 1.00 0.00 O ATOM 1250 CB HIS A 80 9.756 -7.076 -3.346 1.00 0.00 C ATOM 1251 CG HIS A 80 10.958 -7.623 -4.078 1.00 0.00 C ATOM 1252 ND1 HIS A 80 11.769 -8.614 -3.553 1.00 0.00 N ATOM 1253 CD2 HIS A 80 11.477 -7.309 -5.300 1.00 0.00 C ATOM 1254 CE1 HIS A 80 12.730 -8.875 -4.427 1.00 0.00 C ATOM 1255 NE2 HIS A 80 12.547 -8.065 -5.509 1.00 0.00 N ATOM 0 H HIS A 80 7.418 -6.374 -3.858 1.00 0.00 H new ATOM 0 HA HIS A 80 8.826 -8.876 -3.944 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.443 -6.148 -3.825 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.047 -6.826 -2.326 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.083 -6.570 -5.982 1.00 0.00 H new ATOM 0 HE1 HIS A 80 13.520 -9.602 -4.304 1.00 0.00 H new ATOM 0 HE2 HIS A 80 13.136 -8.044 -6.342 1.00 0.00 H new ATOM 1263 N HIS A 81 7.587 -7.807 -1.109 1.00 0.00 N ATOM 1264 CA HIS A 81 7.263 -8.206 0.250 1.00 0.00 C ATOM 1265 C HIS A 81 6.155 -9.260 0.224 1.00 0.00 C ATOM 1266 O HIS A 81 6.068 -10.097 1.122 1.00 0.00 O ATOM 1267 CB HIS A 81 6.904 -6.988 1.103 1.00 0.00 C ATOM 1268 CG HIS A 81 8.078 -6.095 1.424 1.00 0.00 C ATOM 1269 ND1 HIS A 81 9.020 -6.412 2.387 1.00 0.00 N ATOM 1270 CD2 HIS A 81 8.453 -4.893 0.899 1.00 0.00 C ATOM 1271 CE1 HIS A 81 9.917 -5.437 2.432 1.00 0.00 C ATOM 1272 NE2 HIS A 81 9.563 -4.497 1.509 1.00 0.00 N ATOM 0 H HIS A 81 7.219 -6.897 -1.385 1.00 0.00 H new ATOM 0 HA HIS A 81 8.137 -8.659 0.718 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.147 -6.402 0.581 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.455 -7.330 2.036 1.00 0.00 H new ATOM 0 HD2 HIS A 81 7.934 -4.355 0.119 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.777 -5.394 3.084 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.069 -3.632 1.319 1.00 0.00 H new ATOM 1280 N LEU A 82 5.335 -9.185 -0.814 1.00 0.00 N ATOM 1281 CA LEU A 82 4.235 -10.123 -0.968 1.00 0.00 C ATOM 1282 C LEU A 82 4.794 -11.541 -1.098 1.00 0.00 C ATOM 1283 O LEU A 82 5.642 -11.803 -1.950 1.00 0.00 O ATOM 1284 CB LEU A 82 3.336 -9.707 -2.135 1.00 0.00 C ATOM 1285 CG LEU A 82 2.790 -8.279 -2.084 1.00 0.00 C ATOM 1286 CD1 LEU A 82 1.718 -8.064 -3.154 1.00 0.00 C ATOM 1287 CD2 LEU A 82 2.278 -7.936 -0.684 1.00 0.00 C ATOM 0 H LEU A 82 5.410 -8.490 -1.556 1.00 0.00 H new ATOM 0 HA LEU A 82 3.597 -10.111 -0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.898 -9.827 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.493 -10.396 -2.182 1.00 0.00 H new ATOM 0 HG LEU A 82 3.608 -7.593 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.346 -7.041 -3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.148 -8.239 -4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.895 -8.759 -2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.896 -6.915 -0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.479 -8.625 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.094 -8.023 0.033 1.00 0.00 H new ATOM 1299 N SER A 83 4.297 -12.419 -0.240 1.00 0.00 N ATOM 1300 CA SER A 83 4.736 -13.804 -0.247 1.00 0.00 C ATOM 1301 C SER A 83 3.524 -14.738 -0.241 1.00 0.00 C ATOM 1302 O SER A 83 2.420 -14.325 0.113 1.00 0.00 O ATOM 1303 CB SER A 83 5.641 -14.102 0.949 1.00 0.00 C ATOM 1304 OG SER A 83 6.177 -12.912 1.523 1.00 0.00 O ATOM 0 H SER A 83 3.594 -12.198 0.465 1.00 0.00 H new ATOM 0 HA SER A 83 5.313 -13.974 -1.156 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.075 -14.646 1.705 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.457 -14.752 0.633 1.00 0.00 H new ATOM 0 HG SER A 83 6.748 -13.145 2.285 1.00 0.00 H new ATOM 1310 N PRO A 84 3.776 -16.011 -0.646 1.00 0.00 N ATOM 1311 CA PRO A 84 2.719 -17.006 -0.690 1.00 0.00 C ATOM 1312 C PRO A 84 2.361 -17.488 0.718 1.00 0.00 C ATOM 1313 O PRO A 84 3.210 -18.021 1.430 1.00 0.00 O ATOM 1314 CB PRO A 84 3.259 -18.115 -1.578 1.00 0.00 C ATOM 1315 CG PRO A 84 4.765 -17.919 -1.620 1.00 0.00 C ATOM 1316 CD PRO A 84 5.071 -16.535 -1.071 1.00 0.00 C ATOM 0 HA PRO A 84 1.786 -16.611 -1.092 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.004 -19.096 -1.177 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.830 -18.058 -2.578 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.266 -18.684 -1.027 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.134 -18.015 -2.641 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.771 -16.586 -0.237 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.526 -15.899 -1.831 1.00 0.00 H new ATOM 1324 N PRO A 85 1.068 -17.279 1.086 1.00 0.00 N ATOM 1325 CA PRO A 85 0.587 -17.686 2.395 1.00 0.00 C ATOM 1326 C PRO A 85 0.396 -19.202 2.462 1.00 0.00 C ATOM 1327 O PRO A 85 0.517 -19.892 1.450 1.00 0.00 O ATOM 1328 CB PRO A 85 -0.707 -16.915 2.596 1.00 0.00 C ATOM 1329 CG PRO A 85 -1.143 -16.464 1.211 1.00 0.00 C ATOM 1330 CD PRO A 85 0.034 -16.651 0.268 1.00 0.00 C ATOM 0 HA PRO A 85 1.296 -17.462 3.192 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.468 -17.543 3.060 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.554 -16.060 3.255 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.000 -17.046 0.872 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.455 -15.420 1.230 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.235 -17.279 -0.581 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.373 -15.697 -0.136 1.00 0.00 H new ATOM 1338 N PRO A 86 0.094 -19.690 3.695 1.00 0.00 N ATOM 1339 CA PRO A 86 -0.114 -21.112 3.907 1.00 0.00 C ATOM 1340 C PRO A 86 -1.474 -21.554 3.361 1.00 0.00 C ATOM 1341 O PRO A 86 -2.512 -21.051 3.789 1.00 0.00 O ATOM 1342 CB PRO A 86 0.015 -21.309 5.409 1.00 0.00 C ATOM 1343 CG PRO A 86 -0.171 -19.933 6.027 1.00 0.00 C ATOM 1344 CD PRO A 86 -0.056 -18.903 4.915 1.00 0.00 C ATOM 0 HA PRO A 86 0.611 -21.727 3.374 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.736 -22.007 5.777 1.00 0.00 H new ATOM 0 HB3 PRO A 86 0.989 -21.724 5.666 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.143 -19.862 6.514 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.583 -19.753 6.793 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.941 -18.268 4.870 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.800 -18.246 5.070 1.00 0.00 H new ATOM 1352 N PRO A 87 -1.422 -22.515 2.400 1.00 0.00 N ATOM 1353 CA PRO A 87 -2.637 -23.030 1.792 1.00 0.00 C ATOM 1354 C PRO A 87 -3.370 -23.975 2.746 1.00 0.00 C ATOM 1355 O PRO A 87 -2.927 -24.192 3.873 1.00 0.00 O ATOM 1356 CB PRO A 87 -2.177 -23.715 0.515 1.00 0.00 C ATOM 1357 CG PRO A 87 -0.687 -23.963 0.688 1.00 0.00 C ATOM 1358 CD PRO A 87 -0.211 -23.134 1.869 1.00 0.00 C ATOM 0 HA PRO A 87 -3.361 -22.246 1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.713 -24.651 0.359 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.370 -23.088 -0.356 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.494 -25.022 0.862 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -0.146 -23.685 -0.216 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.277 -23.757 2.619 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.514 -22.382 1.558 1.00 0.00 H new ATOM 1366 N SER A 88 -4.479 -24.513 2.260 1.00 0.00 N ATOM 1367 CA SER A 88 -5.278 -25.429 3.055 1.00 0.00 C ATOM 1368 C SER A 88 -6.277 -26.165 2.160 1.00 0.00 C ATOM 1369 O SER A 88 -7.484 -25.961 2.272 1.00 0.00 O ATOM 1370 CB SER A 88 -6.013 -24.690 4.175 1.00 0.00 C ATOM 1371 OG SER A 88 -5.398 -24.894 5.444 1.00 0.00 O ATOM 0 H SER A 88 -4.843 -24.332 1.325 1.00 0.00 H new ATOM 0 HA SER A 88 -4.608 -26.156 3.515 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.036 -23.624 3.951 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.048 -25.030 4.215 1.00 0.00 H new ATOM 0 HG SER A 88 -4.435 -24.729 5.371 1.00 0.00 H new ATOM 1377 N GLY A 89 -5.736 -27.007 1.291 1.00 0.00 N ATOM 1378 CA GLY A 89 -6.564 -27.774 0.377 1.00 0.00 C ATOM 1379 C GLY A 89 -5.980 -27.760 -1.037 1.00 0.00 C ATOM 1380 O GLY A 89 -6.179 -26.804 -1.785 1.00 0.00 O ATOM 0 H GLY A 89 -4.734 -27.174 1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.645 -28.802 0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.573 -27.361 0.362 1.00 0.00 H new ATOM 1384 N PRO A 90 -5.251 -28.859 -1.368 1.00 0.00 N ATOM 1385 CA PRO A 90 -4.636 -28.982 -2.679 1.00 0.00 C ATOM 1386 C PRO A 90 -5.682 -29.310 -3.747 1.00 0.00 C ATOM 1387 O PRO A 90 -6.724 -29.888 -3.443 1.00 0.00 O ATOM 1388 CB PRO A 90 -3.586 -30.070 -2.521 1.00 0.00 C ATOM 1389 CG PRO A 90 -3.966 -30.836 -1.264 1.00 0.00 C ATOM 1390 CD PRO A 90 -4.994 -30.010 -0.508 1.00 0.00 C ATOM 0 HA PRO A 90 -4.179 -28.052 -3.018 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.571 -30.728 -3.390 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.589 -29.640 -2.430 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.376 -31.813 -1.521 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -3.087 -31.012 -0.644 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.905 -30.581 -0.328 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.614 -29.700 0.465 1.00 0.00 H new ATOM 1398 N SER A 91 -5.366 -28.927 -4.975 1.00 0.00 N ATOM 1399 CA SER A 91 -6.266 -29.174 -6.090 1.00 0.00 C ATOM 1400 C SER A 91 -6.137 -30.626 -6.555 1.00 0.00 C ATOM 1401 O SER A 91 -5.191 -31.319 -6.183 1.00 0.00 O ATOM 1402 CB SER A 91 -5.981 -28.218 -7.250 1.00 0.00 C ATOM 1403 OG SER A 91 -7.172 -27.625 -7.759 1.00 0.00 O ATOM 0 H SER A 91 -4.500 -28.448 -5.223 1.00 0.00 H new ATOM 0 HA SER A 91 -7.287 -28.997 -5.751 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.301 -27.435 -6.915 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.475 -28.759 -8.050 1.00 0.00 H new ATOM 0 HG SER A 91 -6.947 -27.020 -8.497 1.00 0.00 H new ATOM 1409 N SER A 92 -7.101 -31.043 -7.362 1.00 0.00 N ATOM 1410 CA SER A 92 -7.108 -32.400 -7.882 1.00 0.00 C ATOM 1411 C SER A 92 -8.013 -32.485 -9.112 1.00 0.00 C ATOM 1412 O SER A 92 -8.736 -31.539 -9.421 1.00 0.00 O ATOM 1413 CB SER A 92 -7.567 -33.396 -6.815 1.00 0.00 C ATOM 1414 OG SER A 92 -7.254 -34.740 -7.171 1.00 0.00 O ATOM 0 H SER A 92 -7.883 -30.465 -7.669 1.00 0.00 H new ATOM 0 HA SER A 92 -6.090 -32.661 -8.170 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.093 -33.153 -5.864 1.00 0.00 H new ATOM 0 HB3 SER A 92 -8.643 -33.301 -6.669 1.00 0.00 H new ATOM 0 HG SER A 92 -7.561 -35.346 -6.464 1.00 0.00 H new ATOM 1420 N GLY A 93 -7.943 -33.626 -9.781 1.00 0.00 N ATOM 1421 CA GLY A 93 -8.747 -33.847 -10.971 1.00 0.00 C ATOM 1422 C GLY A 93 -8.327 -35.132 -11.686 1.00 0.00 C ATOM 1423 O GLY A 93 -8.874 -36.201 -11.422 1.00 0.00 O ATOM 0 H GLY A 93 -7.342 -34.408 -9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.800 -33.907 -10.697 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.642 -32.999 -11.648 1.00 0.00 H new TER 1427 GLY A 93