USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=21 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 70 LYS NZ :NH3+ -159:sc= 0.0764 (180deg=-0.532!) USER MOD Set 1.2: A 73 MET CE :methyl -147:sc= -0.336 (180deg=-1.52!) USER MOD Set 2.1: A 47 ASN : amide:sc= -0.758 X(o=-1.5,f=-1.6) USER MOD Set 2.2: A 55 ASN : amide:sc= -0.788 K(o=-1.5,f=-0.31) USER MOD Set 3.1: A 15 SER OG : rot 156:sc= 0.0201 USER MOD Set 3.2: A 81 HIS : no HD1:sc= -4.67! C(o=-4.7!,f=-6.3!) 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+ 164:sc= 0 (180deg=-0.163) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -179:sc= 0 (180deg=-0.00256) USER MOD Single : A 28 THR OG1 : rot 163:sc= -6.09! USER MOD Single : A 38 HIS : no HD1:sc= -3.06! C(o=-3.1!,f=-2.3!) 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=-1) 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 -22:sc= -0.754 USER MOD Single : A 61 GLN : amide:sc= -0.231 K(o=-0.23,f=-2.5!) 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 72 THR OG1 : rot 180:sc= 0.0443 USER MOD Single : A 75 SER OG : rot -73:sc= 0.104 USER MOD Single : A 76 GLN : amide:sc=-0.00174 X(o=-0.0017,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -107:sc= -0.273 USER MOD Single : A 80 HIS : no HD1:sc= -0.35 X(o=-0.35,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc=-0.00016 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 40:sc= 0.0685 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.071 -19.770 -14.078 1.00 0.00 N ATOM 2 CA GLY A 1 -3.169 -19.580 -12.954 1.00 0.00 C ATOM 3 C GLY A 1 -3.078 -18.103 -12.567 1.00 0.00 C ATOM 4 O GLY A 1 -2.052 -17.462 -12.788 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.115 -20.780 -14.321 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.021 -19.434 -13.821 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.723 -19.232 -14.897 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.518 -20.162 -12.101 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.178 -19.954 -13.211 1.00 0.00 H new ATOM 8 N SER A 2 -4.166 -17.605 -11.997 1.00 0.00 N ATOM 9 CA SER A 2 -4.222 -16.215 -11.578 1.00 0.00 C ATOM 10 C SER A 2 -4.001 -15.296 -12.781 1.00 0.00 C ATOM 11 O SER A 2 -3.486 -15.729 -13.811 1.00 0.00 O ATOM 12 CB SER A 2 -3.184 -15.925 -10.491 1.00 0.00 C ATOM 13 OG SER A 2 -3.677 -15.017 -9.511 1.00 0.00 O ATOM 0 H SER A 2 -5.016 -18.140 -11.816 1.00 0.00 H new ATOM 0 HA SER A 2 -5.210 -16.024 -11.160 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.895 -16.858 -10.008 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.285 -15.511 -10.949 1.00 0.00 H new ATOM 0 HG SER A 2 -2.986 -14.859 -8.834 1.00 0.00 H new ATOM 19 N SER A 3 -4.402 -14.045 -12.611 1.00 0.00 N ATOM 20 CA SER A 3 -4.255 -13.061 -13.670 1.00 0.00 C ATOM 21 C SER A 3 -5.050 -13.497 -14.903 1.00 0.00 C ATOM 22 O SER A 3 -4.730 -14.508 -15.526 1.00 0.00 O ATOM 23 CB SER A 3 -2.782 -12.859 -14.032 1.00 0.00 C ATOM 24 OG SER A 3 -2.627 -12.172 -15.271 1.00 0.00 O ATOM 0 H SER A 3 -4.829 -13.690 -11.755 1.00 0.00 H new ATOM 0 HA SER A 3 -4.647 -12.109 -13.311 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.288 -12.295 -13.241 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.287 -13.828 -14.090 1.00 0.00 H new ATOM 0 HG SER A 3 -1.673 -12.061 -15.466 1.00 0.00 H new ATOM 30 N GLY A 4 -6.070 -12.712 -15.217 1.00 0.00 N ATOM 31 CA GLY A 4 -6.913 -13.003 -16.364 1.00 0.00 C ATOM 32 C GLY A 4 -8.358 -12.571 -16.106 1.00 0.00 C ATOM 33 O GLY A 4 -8.669 -12.035 -15.044 1.00 0.00 O ATOM 0 H GLY A 4 -6.332 -11.875 -14.697 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.527 -12.488 -17.244 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.882 -14.071 -16.581 1.00 0.00 H new ATOM 37 N SER A 5 -9.202 -12.822 -17.096 1.00 0.00 N ATOM 38 CA SER A 5 -10.607 -12.466 -16.990 1.00 0.00 C ATOM 39 C SER A 5 -11.259 -13.245 -15.846 1.00 0.00 C ATOM 40 O SER A 5 -11.140 -14.467 -15.775 1.00 0.00 O ATOM 41 CB SER A 5 -11.344 -12.734 -18.304 1.00 0.00 C ATOM 42 OG SER A 5 -12.267 -11.696 -18.620 1.00 0.00 O ATOM 0 H SER A 5 -8.940 -13.268 -17.975 1.00 0.00 H new ATOM 0 HA SER A 5 -10.675 -11.399 -16.779 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.619 -12.833 -19.112 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.876 -13.683 -18.234 1.00 0.00 H new ATOM 0 HG SER A 5 -12.716 -11.904 -19.466 1.00 0.00 H new ATOM 48 N SER A 6 -11.935 -12.505 -14.979 1.00 0.00 N ATOM 49 CA SER A 6 -12.606 -13.111 -13.842 1.00 0.00 C ATOM 50 C SER A 6 -11.588 -13.831 -12.956 1.00 0.00 C ATOM 51 O SER A 6 -10.536 -14.255 -13.431 1.00 0.00 O ATOM 52 CB SER A 6 -13.694 -14.085 -14.300 1.00 0.00 C ATOM 53 OG SER A 6 -14.999 -13.529 -14.166 1.00 0.00 O ATOM 0 H SER A 6 -12.032 -11.492 -15.041 1.00 0.00 H new ATOM 0 HA SER A 6 -13.084 -12.319 -13.265 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.521 -14.358 -15.341 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.629 -15.002 -13.715 1.00 0.00 H new ATOM 0 HG SER A 6 -15.665 -14.180 -14.470 1.00 0.00 H new ATOM 59 N GLY A 7 -11.937 -13.948 -11.683 1.00 0.00 N ATOM 60 CA GLY A 7 -11.066 -14.610 -10.726 1.00 0.00 C ATOM 61 C GLY A 7 -10.589 -13.631 -9.651 1.00 0.00 C ATOM 62 O GLY A 7 -9.682 -12.836 -9.889 1.00 0.00 O ATOM 0 H GLY A 7 -12.811 -13.596 -11.292 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.597 -15.439 -10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.206 -15.034 -11.244 1.00 0.00 H new ATOM 66 N VAL A 8 -11.222 -13.721 -8.491 1.00 0.00 N ATOM 67 CA VAL A 8 -10.874 -12.854 -7.379 1.00 0.00 C ATOM 68 C VAL A 8 -9.373 -12.964 -7.103 1.00 0.00 C ATOM 69 O VAL A 8 -8.754 -13.980 -7.414 1.00 0.00 O ATOM 70 CB VAL A 8 -11.733 -13.196 -6.159 1.00 0.00 C ATOM 71 CG1 VAL A 8 -13.222 -13.069 -6.485 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.404 -14.594 -5.632 1.00 0.00 C ATOM 0 H VAL A 8 -11.975 -14.382 -8.297 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.084 -11.813 -7.626 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.500 -12.478 -5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.810 -13.317 -5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.441 -12.046 -6.791 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.477 -13.753 -7.295 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.028 -14.812 -4.765 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.595 -15.331 -6.412 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.354 -14.636 -5.343 1.00 0.00 H new ATOM 82 N PRO A 9 -8.817 -11.876 -6.505 1.00 0.00 N ATOM 83 CA PRO A 9 -7.401 -11.840 -6.184 1.00 0.00 C ATOM 84 C PRO A 9 -7.094 -12.710 -4.963 1.00 0.00 C ATOM 85 O PRO A 9 -7.998 -13.295 -4.370 1.00 0.00 O ATOM 86 CB PRO A 9 -7.085 -10.370 -5.961 1.00 0.00 C ATOM 87 CG PRO A 9 -8.420 -9.690 -5.708 1.00 0.00 C ATOM 88 CD PRO A 9 -9.520 -10.655 -6.122 1.00 0.00 C ATOM 0 HA PRO A 9 -6.779 -12.251 -6.979 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.413 -10.239 -5.113 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.587 -9.941 -6.831 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.520 -9.425 -4.655 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.491 -8.763 -6.278 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.215 -10.839 -5.302 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.104 -10.257 -6.952 1.00 0.00 H new ATOM 96 N GLU A 10 -5.814 -12.768 -4.625 1.00 0.00 N ATOM 97 CA GLU A 10 -5.376 -13.556 -3.486 1.00 0.00 C ATOM 98 C GLU A 10 -4.798 -12.646 -2.400 1.00 0.00 C ATOM 99 O GLU A 10 -4.846 -11.423 -2.521 1.00 0.00 O ATOM 100 CB GLU A 10 -4.358 -14.616 -3.911 1.00 0.00 C ATOM 101 CG GLU A 10 -3.086 -13.966 -4.459 1.00 0.00 C ATOM 102 CD GLU A 10 -2.192 -15.002 -5.143 1.00 0.00 C ATOM 103 OE1 GLU A 10 -2.763 -15.900 -5.799 1.00 0.00 O ATOM 104 OE2 GLU A 10 -0.958 -14.873 -4.995 1.00 0.00 O ATOM 0 H GLU A 10 -5.066 -12.282 -5.120 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.242 -14.075 -3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.109 -15.249 -3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.797 -15.263 -4.671 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.351 -13.183 -5.170 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.539 -13.488 -3.647 1.00 0.00 H new ATOM 111 N LYS A 11 -4.266 -13.277 -1.364 1.00 0.00 N ATOM 112 CA LYS A 11 -3.679 -12.539 -0.259 1.00 0.00 C ATOM 113 C LYS A 11 -2.203 -12.917 -0.125 1.00 0.00 C ATOM 114 O LYS A 11 -1.837 -14.078 -0.304 1.00 0.00 O ATOM 115 CB LYS A 11 -4.489 -12.759 1.021 1.00 0.00 C ATOM 116 CG LYS A 11 -5.989 -12.619 0.752 1.00 0.00 C ATOM 117 CD LYS A 11 -6.807 -13.041 1.974 1.00 0.00 C ATOM 118 CE LYS A 11 -7.827 -11.964 2.349 1.00 0.00 C ATOM 119 NZ LYS A 11 -8.945 -12.555 3.118 1.00 0.00 N ATOM 0 H LYS A 11 -4.229 -14.292 -1.266 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.717 -11.467 -0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.279 -13.750 1.423 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.183 -12.037 1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.221 -11.586 0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.267 -13.232 -0.105 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.323 -13.978 1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.140 -13.225 2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.343 -11.186 2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.210 -11.488 1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.628 -11.811 3.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.417 -13.281 2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.577 -12.989 3.988 1.00 0.00 H new ATOM 133 N PHE A 12 -1.395 -11.915 0.189 1.00 0.00 N ATOM 134 CA PHE A 12 0.034 -12.128 0.349 1.00 0.00 C ATOM 135 C PHE A 12 0.495 -11.723 1.750 1.00 0.00 C ATOM 136 O PHE A 12 0.080 -10.688 2.269 1.00 0.00 O ATOM 137 CB PHE A 12 0.736 -11.243 -0.682 1.00 0.00 C ATOM 138 CG PHE A 12 0.169 -11.366 -2.098 1.00 0.00 C ATOM 139 CD1 PHE A 12 -0.950 -10.677 -2.445 1.00 0.00 C ATOM 140 CD2 PHE A 12 0.785 -12.165 -3.010 1.00 0.00 C ATOM 141 CE1 PHE A 12 -1.477 -10.791 -3.759 1.00 0.00 C ATOM 142 CE2 PHE A 12 0.259 -12.280 -4.324 1.00 0.00 C ATOM 143 CZ PHE A 12 -0.861 -11.590 -4.670 1.00 0.00 C ATOM 0 H PHE A 12 -1.702 -10.954 0.337 1.00 0.00 H new ATOM 0 HA PHE A 12 0.271 -13.183 0.209 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.664 -10.203 -0.362 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.796 -11.498 -0.703 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.439 -10.042 -1.721 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.675 -12.712 -2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.366 -10.243 -4.034 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.748 -12.915 -5.048 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.261 -11.677 -5.669 1.00 0.00 H new ATOM 153 N LYS A 13 1.348 -12.560 2.323 1.00 0.00 N ATOM 154 CA LYS A 13 1.870 -12.302 3.654 1.00 0.00 C ATOM 155 C LYS A 13 2.708 -11.023 3.629 1.00 0.00 C ATOM 156 O LYS A 13 3.470 -10.794 2.691 1.00 0.00 O ATOM 157 CB LYS A 13 2.627 -13.524 4.179 1.00 0.00 C ATOM 158 CG LYS A 13 2.721 -13.497 5.706 1.00 0.00 C ATOM 159 CD LYS A 13 4.072 -14.035 6.181 1.00 0.00 C ATOM 160 CE LYS A 13 3.933 -14.754 7.525 1.00 0.00 C ATOM 161 NZ LYS A 13 3.995 -13.784 8.641 1.00 0.00 N ATOM 0 H LYS A 13 1.690 -13.417 1.889 1.00 0.00 H new ATOM 0 HA LYS A 13 1.054 -12.135 4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.121 -14.435 3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.629 -13.548 3.750 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.585 -12.477 6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.916 -14.095 6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.476 -14.722 5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.782 -13.213 6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.988 -15.296 7.558 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.727 -15.493 7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.635 -14.230 9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.981 -13.486 8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.413 -12.953 8.412 1.00 0.00 H new ATOM 175 N LEU A 14 2.539 -10.222 4.671 1.00 0.00 N ATOM 176 CA LEU A 14 3.271 -8.972 4.781 1.00 0.00 C ATOM 177 C LEU A 14 4.657 -9.246 5.369 1.00 0.00 C ATOM 178 O LEU A 14 4.865 -10.265 6.027 1.00 0.00 O ATOM 179 CB LEU A 14 2.460 -7.944 5.572 1.00 0.00 C ATOM 180 CG LEU A 14 1.453 -7.121 4.766 1.00 0.00 C ATOM 181 CD1 LEU A 14 0.025 -7.618 5.002 1.00 0.00 C ATOM 182 CD2 LEU A 14 1.597 -5.628 5.070 1.00 0.00 C ATOM 0 H LEU A 14 1.905 -10.415 5.447 1.00 0.00 H new ATOM 0 HA LEU A 14 3.424 -8.533 3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.922 -8.466 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.154 -7.258 6.057 1.00 0.00 H new ATOM 0 HG LEU A 14 1.671 -7.257 3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.671 -7.016 4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.052 -8.661 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.220 -7.531 6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.870 -5.066 4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.420 -5.454 6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.604 -5.299 4.811 1.00 0.00 H new ATOM 194 N SER A 15 5.568 -8.320 5.111 1.00 0.00 N ATOM 195 CA SER A 15 6.928 -8.450 5.607 1.00 0.00 C ATOM 196 C SER A 15 7.009 -7.944 7.049 1.00 0.00 C ATOM 197 O SER A 15 6.095 -7.276 7.529 1.00 0.00 O ATOM 198 CB SER A 15 7.913 -7.685 4.720 1.00 0.00 C ATOM 199 OG SER A 15 8.451 -8.508 3.688 1.00 0.00 O ATOM 0 H SER A 15 5.392 -7.477 4.565 1.00 0.00 H new ATOM 0 HA SER A 15 7.202 -9.505 5.582 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.409 -6.827 4.274 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.725 -7.294 5.333 1.00 0.00 H new ATOM 0 HG SER A 15 8.743 -7.946 2.940 1.00 0.00 H new ATOM 205 N THR A 16 8.114 -8.282 7.699 1.00 0.00 N ATOM 206 CA THR A 16 8.327 -7.870 9.076 1.00 0.00 C ATOM 207 C THR A 16 8.268 -6.346 9.192 1.00 0.00 C ATOM 208 O THR A 16 7.763 -5.814 10.180 1.00 0.00 O ATOM 209 CB THR A 16 9.655 -8.465 9.547 1.00 0.00 C ATOM 210 OG1 THR A 16 9.365 -9.844 9.754 1.00 0.00 O ATOM 211 CG2 THR A 16 10.065 -7.959 10.932 1.00 0.00 C ATOM 0 H THR A 16 8.870 -8.836 7.297 1.00 0.00 H new ATOM 0 HA THR A 16 7.538 -8.244 9.728 1.00 0.00 H new ATOM 0 HB THR A 16 10.436 -8.224 8.826 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.173 -10.306 10.059 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.014 -8.412 11.219 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.174 -6.875 10.906 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.300 -8.229 11.659 1.00 0.00 H new ATOM 219 N ALA A 17 8.791 -5.686 8.170 1.00 0.00 N ATOM 220 CA ALA A 17 8.804 -4.233 8.145 1.00 0.00 C ATOM 221 C ALA A 17 7.441 -3.723 7.673 1.00 0.00 C ATOM 222 O ALA A 17 6.880 -2.801 8.264 1.00 0.00 O ATOM 223 CB ALA A 17 9.949 -3.748 7.253 1.00 0.00 C ATOM 0 H ALA A 17 9.209 -6.130 7.353 1.00 0.00 H new ATOM 0 HA ALA A 17 8.977 -3.833 9.144 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.959 -2.658 7.234 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.897 -4.113 7.648 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.807 -4.127 6.241 1.00 0.00 H new ATOM 229 N LEU A 18 6.947 -4.344 6.612 1.00 0.00 N ATOM 230 CA LEU A 18 5.661 -3.964 6.054 1.00 0.00 C ATOM 231 C LEU A 18 4.574 -4.152 7.115 1.00 0.00 C ATOM 232 O LEU A 18 3.650 -3.346 7.211 1.00 0.00 O ATOM 233 CB LEU A 18 5.392 -4.730 4.757 1.00 0.00 C ATOM 234 CG LEU A 18 4.567 -3.992 3.701 1.00 0.00 C ATOM 235 CD1 LEU A 18 5.305 -2.750 3.197 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.175 -4.929 2.557 1.00 0.00 C ATOM 0 H LEU A 18 7.415 -5.108 6.124 1.00 0.00 H new ATOM 0 HA LEU A 18 5.662 -2.909 5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.350 -5.004 4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.879 -5.659 5.007 1.00 0.00 H new ATOM 0 HG LEU A 18 3.643 -3.650 4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.696 -2.244 2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.490 -2.073 4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.255 -3.047 2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.589 -4.379 1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.075 -5.323 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.581 -5.754 2.950 1.00 0.00 H new ATOM 248 N MET A 19 4.721 -5.220 7.884 1.00 0.00 N ATOM 249 CA MET A 19 3.764 -5.524 8.934 1.00 0.00 C ATOM 250 C MET A 19 3.762 -4.433 10.007 1.00 0.00 C ATOM 251 O MET A 19 2.733 -4.167 10.626 1.00 0.00 O ATOM 252 CB MET A 19 4.117 -6.868 9.574 1.00 0.00 C ATOM 253 CG MET A 19 3.522 -8.029 8.774 1.00 0.00 C ATOM 254 SD MET A 19 3.252 -9.432 9.844 1.00 0.00 S ATOM 255 CE MET A 19 4.915 -10.074 9.939 1.00 0.00 C ATOM 0 H MET A 19 5.489 -5.886 7.801 1.00 0.00 H new ATOM 0 HA MET A 19 2.770 -5.573 8.490 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.200 -6.976 9.628 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.743 -6.897 10.597 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.581 -7.723 8.318 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.195 -8.305 7.962 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.924 -10.970 10.560 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.267 -10.322 8.938 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.571 -9.322 10.378 1.00 0.00 H new ATOM 265 N ASP A 20 4.927 -3.829 10.193 1.00 0.00 N ATOM 266 CA ASP A 20 5.072 -2.773 11.180 1.00 0.00 C ATOM 267 C ASP A 20 4.724 -1.429 10.537 1.00 0.00 C ATOM 268 O ASP A 20 4.717 -0.398 11.209 1.00 0.00 O ATOM 269 CB ASP A 20 6.512 -2.693 11.693 1.00 0.00 C ATOM 270 CG ASP A 20 6.690 -3.037 13.173 1.00 0.00 C ATOM 271 OD1 ASP A 20 6.585 -2.097 13.991 1.00 0.00 O ATOM 272 OD2 ASP A 20 6.928 -4.231 13.454 1.00 0.00 O ATOM 0 H ASP A 20 5.778 -4.051 9.677 1.00 0.00 H new ATOM 0 HA ASP A 20 4.404 -2.995 12.012 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.131 -3.368 11.101 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.887 -1.684 11.522 1.00 0.00 H new ATOM 277 N VAL A 21 4.444 -1.483 9.243 1.00 0.00 N ATOM 278 CA VAL A 21 4.096 -0.282 8.502 1.00 0.00 C ATOM 279 C VAL A 21 2.582 -0.075 8.557 1.00 0.00 C ATOM 280 O VAL A 21 2.103 1.055 8.476 1.00 0.00 O ATOM 281 CB VAL A 21 4.636 -0.375 7.073 1.00 0.00 C ATOM 282 CG1 VAL A 21 4.067 0.745 6.199 1.00 0.00 C ATOM 283 CG2 VAL A 21 6.166 -0.356 7.062 1.00 0.00 C ATOM 0 H VAL A 21 4.451 -2.339 8.689 1.00 0.00 H new ATOM 0 HA VAL A 21 4.560 0.594 8.954 1.00 0.00 H new ATOM 0 HB VAL A 21 4.311 -1.327 6.653 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.466 0.657 5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.980 0.666 6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.349 1.711 6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.523 -0.423 6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.522 0.572 7.510 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.545 -1.203 7.634 1.00 0.00 H new ATOM 293 N LEU A 22 1.870 -1.184 8.695 1.00 0.00 N ATOM 294 CA LEU A 22 0.419 -1.138 8.762 1.00 0.00 C ATOM 295 C LEU A 22 -0.052 -1.850 10.032 1.00 0.00 C ATOM 296 O LEU A 22 -0.743 -1.258 10.859 1.00 0.00 O ATOM 297 CB LEU A 22 -0.195 -1.702 7.478 1.00 0.00 C ATOM 298 CG LEU A 22 0.446 -1.237 6.169 1.00 0.00 C ATOM 299 CD1 LEU A 22 0.437 -2.358 5.127 1.00 0.00 C ATOM 300 CD2 LEU A 22 -0.228 0.034 5.649 1.00 0.00 C ATOM 0 H LEU A 22 2.271 -2.120 8.762 1.00 0.00 H new ATOM 0 HA LEU A 22 0.074 -0.106 8.827 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.141 -2.790 7.520 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.252 -1.436 7.457 1.00 0.00 H new ATOM 0 HG LEU A 22 1.489 -0.989 6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.898 -2.002 4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.997 -3.212 5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.591 -2.659 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.247 0.343 4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.285 -0.162 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.127 0.828 6.389 1.00 0.00 H new ATOM 312 N GLY A 23 0.343 -3.110 10.147 1.00 0.00 N ATOM 313 CA GLY A 23 -0.030 -3.908 11.302 1.00 0.00 C ATOM 314 C GLY A 23 -0.887 -5.106 10.888 1.00 0.00 C ATOM 315 O GLY A 23 -1.798 -5.503 11.613 1.00 0.00 O ATOM 0 H GLY A 23 0.917 -3.597 9.459 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.868 -4.258 11.812 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.580 -3.291 12.012 1.00 0.00 H new ATOM 319 N ILE A 24 -0.565 -5.648 9.722 1.00 0.00 N ATOM 320 CA ILE A 24 -1.294 -6.793 9.203 1.00 0.00 C ATOM 321 C ILE A 24 -0.348 -7.990 9.099 1.00 0.00 C ATOM 322 O ILE A 24 0.782 -7.938 9.584 1.00 0.00 O ATOM 323 CB ILE A 24 -1.981 -6.436 7.883 1.00 0.00 C ATOM 324 CG1 ILE A 24 -1.224 -5.324 7.154 1.00 0.00 C ATOM 325 CG2 ILE A 24 -3.450 -6.075 8.110 1.00 0.00 C ATOM 326 CD1 ILE A 24 -1.889 -4.994 5.816 1.00 0.00 C ATOM 0 H ILE A 24 0.190 -5.316 9.123 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.094 -7.077 9.886 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.961 -7.315 7.239 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.192 -4.431 7.778 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.192 -5.632 6.985 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.915 -5.825 7.156 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.969 -6.924 8.555 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.515 -5.218 8.780 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.331 -4.201 5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.897 -5.883 5.185 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.913 -4.663 5.990 1.00 0.00 H new ATOM 338 N GLU A 25 -0.843 -9.042 8.464 1.00 0.00 N ATOM 339 CA GLU A 25 -0.056 -10.251 8.291 1.00 0.00 C ATOM 340 C GLU A 25 -0.159 -10.750 6.848 1.00 0.00 C ATOM 341 O GLU A 25 0.842 -11.139 6.249 1.00 0.00 O ATOM 342 CB GLU A 25 -0.492 -11.336 9.278 1.00 0.00 C ATOM 343 CG GLU A 25 0.675 -12.264 9.624 1.00 0.00 C ATOM 344 CD GLU A 25 1.224 -11.959 11.019 1.00 0.00 C ATOM 345 OE1 GLU A 25 0.389 -11.714 11.916 1.00 0.00 O ATOM 346 OE2 GLU A 25 2.466 -11.978 11.156 1.00 0.00 O ATOM 0 H GLU A 25 -1.780 -9.082 8.063 1.00 0.00 H new ATOM 0 HA GLU A 25 0.987 -10.014 8.500 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.875 -10.873 10.187 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.308 -11.917 8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.345 -13.302 9.578 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.467 -12.149 8.884 1.00 0.00 H new ATOM 353 N VAL A 26 -1.379 -10.722 6.332 1.00 0.00 N ATOM 354 CA VAL A 26 -1.626 -11.166 4.971 1.00 0.00 C ATOM 355 C VAL A 26 -2.897 -10.496 4.443 1.00 0.00 C ATOM 356 O VAL A 26 -4.006 -10.917 4.768 1.00 0.00 O ATOM 357 CB VAL A 26 -1.692 -12.694 4.923 1.00 0.00 C ATOM 358 CG1 VAL A 26 -2.094 -13.268 6.283 1.00 0.00 C ATOM 359 CG2 VAL A 26 -2.645 -13.167 3.824 1.00 0.00 C ATOM 0 H VAL A 26 -2.207 -10.399 6.832 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.806 -10.868 4.318 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.695 -13.066 4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.134 -14.356 6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.360 -12.973 7.033 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.075 -12.885 6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.674 -14.257 3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.645 -12.780 4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.296 -12.802 2.858 1.00 0.00 H new ATOM 369 N GLU A 27 -2.692 -9.464 3.638 1.00 0.00 N ATOM 370 CA GLU A 27 -3.807 -8.732 3.062 1.00 0.00 C ATOM 371 C GLU A 27 -3.845 -8.929 1.545 1.00 0.00 C ATOM 372 O GLU A 27 -2.884 -9.419 0.955 1.00 0.00 O ATOM 373 CB GLU A 27 -3.731 -7.246 3.420 1.00 0.00 C ATOM 374 CG GLU A 27 -5.018 -6.780 4.104 1.00 0.00 C ATOM 375 CD GLU A 27 -5.323 -7.632 5.337 1.00 0.00 C ATOM 376 OE1 GLU A 27 -4.357 -8.211 5.881 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.515 -7.686 5.709 1.00 0.00 O ATOM 0 H GLU A 27 -1.771 -9.117 3.371 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.732 -9.127 3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.881 -7.070 4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.562 -6.659 2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.921 -5.734 4.395 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.849 -6.840 3.402 1.00 0.00 H new ATOM 384 N THR A 28 -4.966 -8.537 0.958 1.00 0.00 N ATOM 385 CA THR A 28 -5.142 -8.665 -0.479 1.00 0.00 C ATOM 386 C THR A 28 -4.266 -7.650 -1.216 1.00 0.00 C ATOM 387 O THR A 28 -3.873 -6.634 -0.645 1.00 0.00 O ATOM 388 CB THR A 28 -6.633 -8.518 -0.788 1.00 0.00 C ATOM 389 OG1 THR A 28 -6.868 -7.115 -0.706 1.00 0.00 O ATOM 390 CG2 THR A 28 -7.520 -9.109 0.310 1.00 0.00 C ATOM 0 H THR A 28 -5.761 -8.131 1.451 1.00 0.00 H new ATOM 0 HA THR A 28 -4.817 -9.644 -0.831 1.00 0.00 H new ATOM 0 HB THR A 28 -6.856 -9.006 -1.737 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.715 -6.899 -1.148 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.568 -8.978 0.041 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.304 -10.172 0.420 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.321 -8.599 1.252 1.00 0.00 H new ATOM 398 N ARG A 29 -3.986 -7.960 -2.473 1.00 0.00 N ATOM 399 CA ARG A 29 -3.164 -7.088 -3.294 1.00 0.00 C ATOM 400 C ARG A 29 -3.713 -5.660 -3.266 1.00 0.00 C ATOM 401 O ARG A 29 -2.957 -4.703 -3.105 1.00 0.00 O ATOM 402 CB ARG A 29 -3.114 -7.580 -4.742 1.00 0.00 C ATOM 403 CG ARG A 29 -1.684 -7.546 -5.284 1.00 0.00 C ATOM 404 CD ARG A 29 -1.653 -7.903 -6.771 1.00 0.00 C ATOM 405 NE ARG A 29 -1.038 -9.236 -6.959 1.00 0.00 N ATOM 406 CZ ARG A 29 -0.937 -9.857 -8.142 1.00 0.00 C ATOM 407 NH1 ARG A 29 -1.409 -9.270 -9.250 1.00 0.00 N ATOM 408 NH2 ARG A 29 -0.363 -11.066 -8.217 1.00 0.00 N ATOM 0 H ARG A 29 -4.314 -8.804 -2.943 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.154 -7.101 -2.883 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.504 -8.596 -4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.757 -6.957 -5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.259 -6.553 -5.136 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.063 -8.246 -4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.665 -7.900 -7.175 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.088 -7.152 -7.322 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.668 -9.712 -6.136 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.845 -8.350 -9.193 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.332 -9.743 -10.150 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.003 -11.513 -7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.286 -11.539 -9.117 1.00 0.00 H new ATOM 422 N PRO A 30 -5.060 -5.559 -3.430 1.00 0.00 N ATOM 423 CA PRO A 30 -5.719 -4.264 -3.425 1.00 0.00 C ATOM 424 C PRO A 30 -5.814 -3.703 -2.005 1.00 0.00 C ATOM 425 O PRO A 30 -5.963 -2.496 -1.819 1.00 0.00 O ATOM 426 CB PRO A 30 -7.078 -4.512 -4.058 1.00 0.00 C ATOM 427 CG PRO A 30 -7.312 -6.012 -3.969 1.00 0.00 C ATOM 428 CD PRO A 30 -5.987 -6.670 -3.623 1.00 0.00 C ATOM 0 HA PRO A 30 -5.166 -3.508 -3.983 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.860 -3.963 -3.533 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.093 -4.175 -5.095 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.060 -6.237 -3.209 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.693 -6.396 -4.915 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.070 -7.277 -2.722 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.652 -7.331 -4.423 1.00 0.00 H new ATOM 436 N ARG A 31 -5.725 -4.605 -1.039 1.00 0.00 N ATOM 437 CA ARG A 31 -5.799 -4.215 0.359 1.00 0.00 C ATOM 438 C ARG A 31 -4.472 -3.604 0.811 1.00 0.00 C ATOM 439 O ARG A 31 -4.438 -2.474 1.297 1.00 0.00 O ATOM 440 CB ARG A 31 -6.129 -5.415 1.249 1.00 0.00 C ATOM 441 CG ARG A 31 -7.639 -5.659 1.303 1.00 0.00 C ATOM 442 CD ARG A 31 -8.336 -4.598 2.156 1.00 0.00 C ATOM 443 NE ARG A 31 -9.438 -5.213 2.929 1.00 0.00 N ATOM 444 CZ ARG A 31 -10.338 -4.518 3.637 1.00 0.00 C ATOM 445 NH1 ARG A 31 -10.273 -3.180 3.674 1.00 0.00 N ATOM 446 NH2 ARG A 31 -11.304 -5.160 4.308 1.00 0.00 N ATOM 0 H ARG A 31 -5.602 -5.605 -1.197 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.594 -3.476 0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.627 -6.304 0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.749 -5.241 2.256 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.049 -5.646 0.293 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.836 -6.649 1.715 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.619 -4.136 2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.727 -3.806 1.518 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.517 -6.230 2.922 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.538 -2.691 3.163 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.958 -2.651 4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.354 -6.178 4.280 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.989 -4.630 4.847 1.00 0.00 H new ATOM 460 N ILE A 32 -3.410 -4.377 0.634 1.00 0.00 N ATOM 461 CA ILE A 32 -2.083 -3.926 1.018 1.00 0.00 C ATOM 462 C ILE A 32 -1.808 -2.563 0.378 1.00 0.00 C ATOM 463 O ILE A 32 -1.646 -1.566 1.079 1.00 0.00 O ATOM 464 CB ILE A 32 -1.037 -4.988 0.677 1.00 0.00 C ATOM 465 CG1 ILE A 32 -1.411 -6.341 1.285 1.00 0.00 C ATOM 466 CG2 ILE A 32 0.362 -4.536 1.102 1.00 0.00 C ATOM 467 CD1 ILE A 32 -0.378 -7.410 0.921 1.00 0.00 C ATOM 0 H ILE A 32 -3.442 -5.313 0.230 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.024 -3.790 2.098 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.020 -5.115 -0.405 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.479 -6.250 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.395 -6.645 0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.087 -5.309 0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.619 -3.613 0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.377 -4.364 2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.668 -8.362 1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.330 -7.515 -0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.600 -7.115 1.301 1.00 0.00 H new ATOM 479 N ILE A 33 -1.764 -2.565 -0.946 1.00 0.00 N ATOM 480 CA ILE A 33 -1.511 -1.342 -1.688 1.00 0.00 C ATOM 481 C ILE A 33 -2.297 -0.193 -1.053 1.00 0.00 C ATOM 482 O ILE A 33 -1.718 0.822 -0.670 1.00 0.00 O ATOM 483 CB ILE A 33 -1.812 -1.545 -3.175 1.00 0.00 C ATOM 484 CG1 ILE A 33 -0.843 -2.552 -3.798 1.00 0.00 C ATOM 485 CG2 ILE A 33 -1.810 -0.210 -3.922 1.00 0.00 C ATOM 486 CD1 ILE A 33 -1.360 -3.045 -5.151 1.00 0.00 C ATOM 0 H ILE A 33 -1.899 -3.394 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.456 -1.075 -1.633 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.814 -1.964 -3.267 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.136 -2.089 -3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.710 -3.399 -3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.026 -0.383 -4.976 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.571 0.445 -3.498 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.831 0.260 -3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.653 -3.759 -5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.328 -3.528 -5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.468 -2.199 -5.829 1.00 0.00 H new ATOM 498 N ALA A 34 -3.603 -0.393 -0.960 1.00 0.00 N ATOM 499 CA ALA A 34 -4.475 0.614 -0.378 1.00 0.00 C ATOM 500 C ALA A 34 -3.995 0.939 1.038 1.00 0.00 C ATOM 501 O ALA A 34 -3.820 2.106 1.385 1.00 0.00 O ATOM 502 CB ALA A 34 -5.921 0.114 -0.403 1.00 0.00 C ATOM 0 H ALA A 34 -4.079 -1.237 -1.278 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.439 1.536 -0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.575 0.869 0.033 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.223 -0.076 -1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.997 -0.808 0.173 1.00 0.00 H new ATOM 508 N ALA A 35 -3.797 -0.113 1.818 1.00 0.00 N ATOM 509 CA ALA A 35 -3.341 0.046 3.189 1.00 0.00 C ATOM 510 C ALA A 35 -2.236 1.103 3.234 1.00 0.00 C ATOM 511 O ALA A 35 -2.251 1.985 4.092 1.00 0.00 O ATOM 512 CB ALA A 35 -2.877 -1.306 3.733 1.00 0.00 C ATOM 0 H ALA A 35 -3.944 -1.080 1.527 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.155 0.392 3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.535 -1.187 4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.706 -2.013 3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.059 -1.683 3.120 1.00 0.00 H new ATOM 518 N ILE A 36 -1.305 0.981 2.300 1.00 0.00 N ATOM 519 CA ILE A 36 -0.195 1.915 2.223 1.00 0.00 C ATOM 520 C ILE A 36 -0.707 3.270 1.731 1.00 0.00 C ATOM 521 O ILE A 36 -0.240 4.315 2.182 1.00 0.00 O ATOM 522 CB ILE A 36 0.933 1.337 1.367 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.630 0.179 2.085 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.921 2.429 0.950 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.530 -0.601 1.125 1.00 0.00 C ATOM 0 H ILE A 36 -1.296 0.249 1.590 1.00 0.00 H new ATOM 0 HA ILE A 36 0.236 2.076 3.211 1.00 0.00 H new ATOM 0 HB ILE A 36 0.495 0.933 0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.224 0.565 2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.883 -0.490 2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.713 1.991 0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.399 3.190 0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.356 2.885 1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.013 -1.418 1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.929 -1.007 0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.291 0.065 0.717 1.00 0.00 H new ATOM 537 N TRP A 37 -1.661 3.209 0.814 1.00 0.00 N ATOM 538 CA TRP A 37 -2.242 4.418 0.256 1.00 0.00 C ATOM 539 C TRP A 37 -2.844 5.228 1.406 1.00 0.00 C ATOM 540 O TRP A 37 -2.547 6.412 1.558 1.00 0.00 O ATOM 541 CB TRP A 37 -3.260 4.084 -0.837 1.00 0.00 C ATOM 542 CG TRP A 37 -2.637 3.523 -2.117 1.00 0.00 C ATOM 543 CD1 TRP A 37 -1.459 2.901 -2.257 1.00 0.00 C ATOM 544 CD2 TRP A 37 -3.213 3.559 -3.440 1.00 0.00 C ATOM 545 NE1 TRP A 37 -1.234 2.534 -3.568 1.00 0.00 N ATOM 546 CE2 TRP A 37 -2.334 2.947 -4.310 1.00 0.00 C ATOM 547 CE3 TRP A 37 -4.435 4.091 -3.886 1.00 0.00 C ATOM 548 CZ2 TRP A 37 -2.584 2.810 -5.681 1.00 0.00 C ATOM 549 CZ3 TRP A 37 -4.670 3.945 -5.259 1.00 0.00 C ATOM 550 CH2 TRP A 37 -3.796 3.332 -6.148 1.00 0.00 C ATOM 0 H TRP A 37 -2.046 2.340 0.443 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.478 5.022 -0.233 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.974 3.360 -0.445 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.822 4.985 -1.083 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.772 2.711 -1.446 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.412 2.049 -3.927 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.137 4.574 -3.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.880 2.328 -6.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.596 4.336 -5.654 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.051 3.258 -7.195 1.00 0.00 H new ATOM 561 N HIS A 38 -3.678 4.557 2.187 1.00 0.00 N ATOM 562 CA HIS A 38 -4.324 5.199 3.319 1.00 0.00 C ATOM 563 C HIS A 38 -3.270 5.594 4.355 1.00 0.00 C ATOM 564 O HIS A 38 -3.111 6.773 4.666 1.00 0.00 O ATOM 565 CB HIS A 38 -5.420 4.303 3.899 1.00 0.00 C ATOM 566 CG HIS A 38 -5.976 4.788 5.216 1.00 0.00 C ATOM 567 ND1 HIS A 38 -6.717 3.980 6.061 1.00 0.00 N ATOM 568 CD2 HIS A 38 -5.892 6.006 5.825 1.00 0.00 C ATOM 569 CE1 HIS A 38 -7.059 4.689 7.126 1.00 0.00 C ATOM 570 NE2 HIS A 38 -6.547 5.945 6.978 1.00 0.00 N ATOM 0 H HIS A 38 -3.921 3.575 2.058 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.819 6.112 2.990 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.234 4.229 3.178 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.020 3.298 4.033 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.379 6.873 5.435 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.641 4.335 7.964 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.650 6.711 7.644 1.00 0.00 H new ATOM 578 N TYR A 39 -2.577 4.584 4.861 1.00 0.00 N ATOM 579 CA TYR A 39 -1.542 4.811 5.856 1.00 0.00 C ATOM 580 C TYR A 39 -0.748 6.080 5.541 1.00 0.00 C ATOM 581 O TYR A 39 -0.624 6.964 6.387 1.00 0.00 O ATOM 582 CB TYR A 39 -0.606 3.603 5.773 1.00 0.00 C ATOM 583 CG TYR A 39 0.575 3.664 6.744 1.00 0.00 C ATOM 584 CD1 TYR A 39 0.350 3.689 8.105 1.00 0.00 C ATOM 585 CD2 TYR A 39 1.866 3.695 6.258 1.00 0.00 C ATOM 586 CE1 TYR A 39 1.461 3.746 9.018 1.00 0.00 C ATOM 587 CE2 TYR A 39 2.978 3.753 7.171 1.00 0.00 C ATOM 588 CZ TYR A 39 2.721 3.776 8.506 1.00 0.00 C ATOM 589 OH TYR A 39 3.771 3.830 9.369 1.00 0.00 O ATOM 0 H TYR A 39 -2.712 3.607 4.601 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.981 4.933 6.846 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.180 2.697 5.971 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.223 3.522 4.756 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.661 3.666 8.485 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.042 3.676 5.193 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.298 3.765 10.085 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.993 3.778 6.804 1.00 0.00 H new ATOM 0 HH TYR A 39 4.610 3.845 8.863 1.00 0.00 H new ATOM 599 N VAL A 40 -0.230 6.128 4.323 1.00 0.00 N ATOM 600 CA VAL A 40 0.550 7.274 3.886 1.00 0.00 C ATOM 601 C VAL A 40 -0.244 8.555 4.150 1.00 0.00 C ATOM 602 O VAL A 40 0.232 9.453 4.844 1.00 0.00 O ATOM 603 CB VAL A 40 0.946 7.108 2.418 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.622 8.374 1.886 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.846 5.885 2.228 1.00 0.00 C ATOM 0 H VAL A 40 -0.335 5.392 3.625 1.00 0.00 H new ATOM 0 HA VAL A 40 1.478 7.344 4.453 1.00 0.00 H new ATOM 0 HB VAL A 40 0.035 6.947 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.894 8.229 0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.935 9.216 1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.520 8.579 2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.113 5.790 1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.752 6.004 2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.315 4.989 2.550 1.00 0.00 H new ATOM 615 N LYS A 41 -1.440 8.600 3.582 1.00 0.00 N ATOM 616 CA LYS A 41 -2.304 9.757 3.747 1.00 0.00 C ATOM 617 C LYS A 41 -2.551 9.995 5.238 1.00 0.00 C ATOM 618 O LYS A 41 -2.358 11.104 5.733 1.00 0.00 O ATOM 619 CB LYS A 41 -3.587 9.588 2.930 1.00 0.00 C ATOM 620 CG LYS A 41 -4.785 10.203 3.657 1.00 0.00 C ATOM 621 CD LYS A 41 -5.848 10.672 2.663 1.00 0.00 C ATOM 622 CE LYS A 41 -5.761 12.183 2.440 1.00 0.00 C ATOM 623 NZ LYS A 41 -6.518 12.573 1.229 1.00 0.00 N ATOM 0 H LYS A 41 -1.831 7.854 3.007 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.821 10.653 3.357 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.467 10.061 1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.771 8.529 2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.217 9.470 4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.453 11.045 4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.718 10.153 1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.839 10.412 3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.158 12.708 3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.718 12.482 2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.448 13.602 1.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.122 12.086 0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.517 12.306 1.343 1.00 0.00 H new ATOM 637 N ALA A 42 -2.974 8.935 5.911 1.00 0.00 N ATOM 638 CA ALA A 42 -3.249 9.015 7.336 1.00 0.00 C ATOM 639 C ALA A 42 -2.030 9.597 8.055 1.00 0.00 C ATOM 640 O ALA A 42 -2.173 10.331 9.032 1.00 0.00 O ATOM 641 CB ALA A 42 -3.629 7.629 7.861 1.00 0.00 C ATOM 0 H ALA A 42 -3.133 8.017 5.496 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.092 9.679 7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.835 7.689 8.930 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.517 7.273 7.339 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.805 6.936 7.689 1.00 0.00 H new ATOM 647 N ARG A 43 -0.859 9.248 7.543 1.00 0.00 N ATOM 648 CA ARG A 43 0.384 9.727 8.124 1.00 0.00 C ATOM 649 C ARG A 43 0.828 11.020 7.437 1.00 0.00 C ATOM 650 O ARG A 43 1.973 11.444 7.585 1.00 0.00 O ATOM 651 CB ARG A 43 1.492 8.680 7.992 1.00 0.00 C ATOM 652 CG ARG A 43 1.084 7.362 8.653 1.00 0.00 C ATOM 653 CD ARG A 43 1.699 7.235 10.048 1.00 0.00 C ATOM 654 NE ARG A 43 1.155 8.284 10.939 1.00 0.00 N ATOM 655 CZ ARG A 43 1.782 8.741 12.031 1.00 0.00 C ATOM 656 NH1 ARG A 43 2.978 8.243 12.375 1.00 0.00 N ATOM 657 NH2 ARG A 43 1.213 9.695 12.781 1.00 0.00 N ATOM 0 H ARG A 43 -0.745 8.639 6.732 1.00 0.00 H new ATOM 0 HA ARG A 43 0.204 9.918 9.182 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.712 8.509 6.938 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.407 9.054 8.452 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.002 7.308 8.724 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.405 6.525 8.033 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.485 6.249 10.460 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.783 7.326 9.986 1.00 0.00 H new ATOM 0 HE ARG A 43 0.246 8.684 10.707 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.411 7.516 11.805 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.455 8.591 13.206 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.302 10.073 12.520 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.691 10.043 13.612 1.00 0.00 H new ATOM 671 N LYS A 44 -0.102 11.610 6.700 1.00 0.00 N ATOM 672 CA LYS A 44 0.179 12.846 5.990 1.00 0.00 C ATOM 673 C LYS A 44 1.528 12.724 5.278 1.00 0.00 C ATOM 674 O LYS A 44 2.297 13.683 5.230 1.00 0.00 O ATOM 675 CB LYS A 44 0.091 14.042 6.940 1.00 0.00 C ATOM 676 CG LYS A 44 -1.147 14.890 6.641 1.00 0.00 C ATOM 677 CD LYS A 44 -1.283 16.035 7.646 1.00 0.00 C ATOM 678 CE LYS A 44 -1.826 17.296 6.971 1.00 0.00 C ATOM 679 NZ LYS A 44 -3.283 17.422 7.204 1.00 0.00 N ATOM 0 H LYS A 44 -1.051 11.255 6.579 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.573 13.023 5.221 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.055 13.690 7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.988 14.654 6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.080 15.294 5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.038 14.263 6.675 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.949 15.736 8.455 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.312 16.247 8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.312 18.175 7.361 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.625 17.258 5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.636 18.283 6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.771 16.592 6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.467 17.480 8.226 1.00 0.00 H new ATOM 693 N LEU A 45 1.773 11.537 4.742 1.00 0.00 N ATOM 694 CA LEU A 45 3.015 11.278 4.034 1.00 0.00 C ATOM 695 C LEU A 45 2.888 11.772 2.592 1.00 0.00 C ATOM 696 O LEU A 45 3.889 12.088 1.950 1.00 0.00 O ATOM 697 CB LEU A 45 3.397 9.801 4.147 1.00 0.00 C ATOM 698 CG LEU A 45 4.004 9.365 5.482 1.00 0.00 C ATOM 699 CD1 LEU A 45 4.007 7.840 5.611 1.00 0.00 C ATOM 700 CD2 LEU A 45 5.402 9.958 5.669 1.00 0.00 C ATOM 0 H LEU A 45 1.132 10.744 4.784 1.00 0.00 H new ATOM 0 HA LEU A 45 3.836 11.832 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.506 9.201 3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.108 9.568 3.354 1.00 0.00 H new ATOM 0 HG LEU A 45 3.379 9.755 6.285 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.444 7.557 6.569 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.984 7.468 5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.596 7.408 4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.810 9.632 6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.052 9.619 4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.341 11.046 5.652 1.00 0.00 H new ATOM 712 N GLN A 46 1.649 11.825 2.125 1.00 0.00 N ATOM 713 CA GLN A 46 1.379 12.275 0.770 1.00 0.00 C ATOM 714 C GLN A 46 2.272 13.466 0.419 1.00 0.00 C ATOM 715 O GLN A 46 2.588 14.286 1.280 1.00 0.00 O ATOM 716 CB GLN A 46 -0.100 12.628 0.595 1.00 0.00 C ATOM 717 CG GLN A 46 -0.422 12.924 -0.871 1.00 0.00 C ATOM 718 CD GLN A 46 -1.836 13.492 -1.018 1.00 0.00 C ATOM 719 OE1 GLN A 46 -2.549 13.707 -0.052 1.00 0.00 O ATOM 720 NE2 GLN A 46 -2.199 13.722 -2.276 1.00 0.00 N ATOM 0 H GLN A 46 0.821 11.564 2.661 1.00 0.00 H new ATOM 0 HA GLN A 46 1.608 11.460 0.084 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.719 11.803 0.948 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.346 13.495 1.208 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.302 13.634 -1.270 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.330 12.011 -1.459 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.553 13.519 -3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.124 14.101 -2.479 1.00 0.00 H new ATOM 729 N ASN A 47 2.655 13.524 -0.848 1.00 0.00 N ATOM 730 CA ASN A 47 3.507 14.601 -1.324 1.00 0.00 C ATOM 731 C ASN A 47 2.640 15.680 -1.976 1.00 0.00 C ATOM 732 O ASN A 47 1.804 15.380 -2.828 1.00 0.00 O ATOM 733 CB ASN A 47 4.500 14.096 -2.373 1.00 0.00 C ATOM 734 CG ASN A 47 5.936 14.180 -1.852 1.00 0.00 C ATOM 735 OD1 ASN A 47 6.511 13.212 -1.382 1.00 0.00 O ATOM 736 ND2 ASN A 47 6.482 15.388 -1.962 1.00 0.00 N ATOM 0 H ASN A 47 2.391 12.843 -1.560 1.00 0.00 H new ATOM 0 HA ASN A 47 4.056 14.999 -0.470 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.264 13.065 -2.636 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.404 14.687 -3.284 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.438 15.547 -1.643 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.945 16.156 -2.365 1.00 0.00 H new ATOM 743 N PRO A 48 2.874 16.947 -1.540 1.00 0.00 N ATOM 744 CA PRO A 48 2.124 18.073 -2.072 1.00 0.00 C ATOM 745 C PRO A 48 2.601 18.432 -3.481 1.00 0.00 C ATOM 746 O PRO A 48 1.821 18.917 -4.299 1.00 0.00 O ATOM 747 CB PRO A 48 2.335 19.195 -1.069 1.00 0.00 C ATOM 748 CG PRO A 48 3.563 18.807 -0.261 1.00 0.00 C ATOM 749 CD PRO A 48 3.855 17.340 -0.533 1.00 0.00 C ATOM 0 HA PRO A 48 1.062 17.855 -2.188 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.486 20.148 -1.576 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.464 19.311 -0.424 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.416 19.425 -0.542 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.388 18.971 0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.873 17.200 -0.896 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.754 16.742 0.373 1.00 0.00 H new ATOM 757 N ASN A 49 3.879 18.181 -3.720 1.00 0.00 N ATOM 758 CA ASN A 49 4.469 18.473 -5.016 1.00 0.00 C ATOM 759 C ASN A 49 3.880 17.526 -6.064 1.00 0.00 C ATOM 760 O ASN A 49 3.466 17.963 -7.137 1.00 0.00 O ATOM 761 CB ASN A 49 5.985 18.265 -4.990 1.00 0.00 C ATOM 762 CG ASN A 49 6.692 19.468 -4.363 1.00 0.00 C ATOM 763 OD1 ASN A 49 7.083 20.410 -5.032 1.00 0.00 O ATOM 764 ND2 ASN A 49 6.834 19.384 -3.043 1.00 0.00 N ATOM 0 H ASN A 49 4.523 17.779 -3.039 1.00 0.00 H new ATOM 0 HA ASN A 49 4.252 19.513 -5.260 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.222 17.364 -4.425 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.352 18.111 -6.005 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.293 20.137 -2.531 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.483 18.567 -2.543 1.00 0.00 H new ATOM 771 N ASP A 50 3.862 16.248 -5.717 1.00 0.00 N ATOM 772 CA ASP A 50 3.331 15.236 -6.614 1.00 0.00 C ATOM 773 C ASP A 50 2.343 14.351 -5.851 1.00 0.00 C ATOM 774 O ASP A 50 2.710 13.712 -4.867 1.00 0.00 O ATOM 775 CB ASP A 50 4.446 14.340 -7.157 1.00 0.00 C ATOM 776 CG ASP A 50 5.465 15.047 -8.053 1.00 0.00 C ATOM 777 OD1 ASP A 50 5.042 15.984 -8.764 1.00 0.00 O ATOM 778 OD2 ASP A 50 6.645 14.636 -8.005 1.00 0.00 O ATOM 0 H ASP A 50 4.207 15.890 -4.826 1.00 0.00 H new ATOM 0 HA ASP A 50 2.842 15.746 -7.444 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.974 13.892 -6.315 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.994 13.524 -7.720 1.00 0.00 H new ATOM 783 N PRO A 51 1.077 14.343 -6.347 1.00 0.00 N ATOM 784 CA PRO A 51 0.034 13.547 -5.723 1.00 0.00 C ATOM 785 C PRO A 51 0.208 12.062 -6.048 1.00 0.00 C ATOM 786 O PRO A 51 -0.442 11.210 -5.445 1.00 0.00 O ATOM 787 CB PRO A 51 -1.270 14.122 -6.252 1.00 0.00 C ATOM 788 CG PRO A 51 -0.903 14.906 -7.502 1.00 0.00 C ATOM 789 CD PRO A 51 0.607 15.088 -7.511 1.00 0.00 C ATOM 0 HA PRO A 51 0.063 13.596 -4.634 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.981 13.329 -6.483 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.742 14.767 -5.511 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.229 14.374 -8.396 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.404 15.874 -7.507 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.047 14.703 -8.431 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.879 16.141 -7.443 1.00 0.00 H new ATOM 797 N SER A 52 1.089 11.798 -7.001 1.00 0.00 N ATOM 798 CA SER A 52 1.358 10.430 -7.414 1.00 0.00 C ATOM 799 C SER A 52 2.395 9.797 -6.484 1.00 0.00 C ATOM 800 O SER A 52 2.399 8.583 -6.289 1.00 0.00 O ATOM 801 CB SER A 52 1.842 10.378 -8.864 1.00 0.00 C ATOM 802 OG SER A 52 1.256 9.297 -9.584 1.00 0.00 O ATOM 0 H SER A 52 1.626 12.508 -7.500 1.00 0.00 H new ATOM 0 HA SER A 52 0.429 9.864 -7.350 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.600 11.318 -9.361 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.927 10.279 -8.881 1.00 0.00 H new ATOM 0 HG SER A 52 1.589 9.299 -10.506 1.00 0.00 H new ATOM 808 N PHE A 53 3.249 10.648 -5.936 1.00 0.00 N ATOM 809 CA PHE A 53 4.288 10.187 -5.031 1.00 0.00 C ATOM 810 C PHE A 53 3.904 10.450 -3.574 1.00 0.00 C ATOM 811 O PHE A 53 2.901 11.108 -3.302 1.00 0.00 O ATOM 812 CB PHE A 53 5.554 10.980 -5.363 1.00 0.00 C ATOM 813 CG PHE A 53 6.532 10.237 -6.277 1.00 0.00 C ATOM 814 CD1 PHE A 53 7.322 9.253 -5.770 1.00 0.00 C ATOM 815 CD2 PHE A 53 6.610 10.561 -7.595 1.00 0.00 C ATOM 816 CE1 PHE A 53 8.230 8.565 -6.618 1.00 0.00 C ATOM 817 CE2 PHE A 53 7.518 9.873 -8.443 1.00 0.00 C ATOM 818 CZ PHE A 53 8.308 8.889 -7.936 1.00 0.00 C ATOM 0 H PHE A 53 3.243 11.655 -6.101 1.00 0.00 H new ATOM 0 HA PHE A 53 4.436 9.114 -5.151 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.268 11.918 -5.839 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.064 11.236 -4.434 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.259 8.995 -4.723 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.981 11.342 -7.997 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.859 7.784 -6.216 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.581 10.131 -9.490 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.998 8.365 -8.581 1.00 0.00 H new ATOM 828 N PHE A 54 4.721 9.922 -2.675 1.00 0.00 N ATOM 829 CA PHE A 54 4.479 10.091 -1.253 1.00 0.00 C ATOM 830 C PHE A 54 5.775 9.934 -0.453 1.00 0.00 C ATOM 831 O PHE A 54 6.717 9.290 -0.912 1.00 0.00 O ATOM 832 CB PHE A 54 3.498 8.995 -0.832 1.00 0.00 C ATOM 833 CG PHE A 54 3.973 7.577 -1.159 1.00 0.00 C ATOM 834 CD1 PHE A 54 4.943 6.994 -0.405 1.00 0.00 C ATOM 835 CD2 PHE A 54 3.424 6.900 -2.203 1.00 0.00 C ATOM 836 CE1 PHE A 54 5.383 5.678 -0.708 1.00 0.00 C ATOM 837 CE2 PHE A 54 3.863 5.584 -2.506 1.00 0.00 C ATOM 838 CZ PHE A 54 4.834 5.001 -1.752 1.00 0.00 C ATOM 0 H PHE A 54 5.552 9.377 -2.904 1.00 0.00 H new ATOM 0 HA PHE A 54 4.083 11.088 -1.060 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.323 9.070 0.241 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.541 9.169 -1.324 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.379 7.532 0.424 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.654 7.363 -2.802 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.153 5.215 -0.109 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.426 5.046 -3.335 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.169 4.000 -1.983 1.00 0.00 H new ATOM 848 N ASN A 55 5.780 10.534 0.728 1.00 0.00 N ATOM 849 CA ASN A 55 6.944 10.469 1.595 1.00 0.00 C ATOM 850 C ASN A 55 7.018 9.083 2.238 1.00 0.00 C ATOM 851 O ASN A 55 5.995 8.515 2.617 1.00 0.00 O ATOM 852 CB ASN A 55 6.854 11.506 2.716 1.00 0.00 C ATOM 853 CG ASN A 55 7.299 12.885 2.224 1.00 0.00 C ATOM 854 OD1 ASN A 55 8.305 13.430 2.649 1.00 0.00 O ATOM 855 ND2 ASN A 55 6.496 13.417 1.307 1.00 0.00 N ATOM 0 H ASN A 55 4.997 11.067 1.105 1.00 0.00 H new ATOM 0 HA ASN A 55 7.828 10.669 0.989 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.830 11.560 3.085 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.478 11.196 3.554 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.707 14.335 0.916 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.670 12.907 0.995 1.00 0.00 H new ATOM 862 N CYS A 56 8.239 8.578 2.342 1.00 0.00 N ATOM 863 CA CYS A 56 8.460 7.270 2.933 1.00 0.00 C ATOM 864 C CYS A 56 9.094 7.466 4.311 1.00 0.00 C ATOM 865 O CYS A 56 10.257 7.853 4.415 1.00 0.00 O ATOM 866 CB CYS A 56 9.319 6.380 2.031 1.00 0.00 C ATOM 867 SG CYS A 56 8.530 6.206 0.389 1.00 0.00 S ATOM 0 H CYS A 56 9.085 9.052 2.027 1.00 0.00 H new ATOM 0 HA CYS A 56 7.507 6.752 3.043 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.314 6.812 1.922 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.446 5.399 2.489 1.00 0.00 H new ATOM 0 HG CYS A 56 7.259 6.460 0.489 1.00 0.00 H new ATOM 873 N ASP A 57 8.301 7.190 5.336 1.00 0.00 N ATOM 874 CA ASP A 57 8.769 7.331 6.704 1.00 0.00 C ATOM 875 C ASP A 57 9.858 6.291 6.976 1.00 0.00 C ATOM 876 O ASP A 57 10.280 5.578 6.068 1.00 0.00 O ATOM 877 CB ASP A 57 7.634 7.099 7.703 1.00 0.00 C ATOM 878 CG ASP A 57 6.886 8.361 8.137 1.00 0.00 C ATOM 879 OD1 ASP A 57 7.342 9.456 7.741 1.00 0.00 O ATOM 880 OD2 ASP A 57 5.875 8.203 8.855 1.00 0.00 O ATOM 0 H ASP A 57 7.337 6.869 5.246 1.00 0.00 H new ATOM 0 HA ASP A 57 9.153 8.344 6.825 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.919 6.404 7.262 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.044 6.615 8.589 1.00 0.00 H new ATOM 885 N ALA A 58 10.281 6.238 8.231 1.00 0.00 N ATOM 886 CA ALA A 58 11.312 5.296 8.633 1.00 0.00 C ATOM 887 C ALA A 58 10.828 3.870 8.363 1.00 0.00 C ATOM 888 O ALA A 58 11.633 2.976 8.106 1.00 0.00 O ATOM 889 CB ALA A 58 11.664 5.524 10.105 1.00 0.00 C ATOM 0 H ALA A 58 9.929 6.832 8.982 1.00 0.00 H new ATOM 0 HA ALA A 58 12.221 5.450 8.052 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.437 4.818 10.408 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.030 6.542 10.238 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.776 5.375 10.719 1.00 0.00 H new ATOM 895 N ALA A 59 9.516 3.702 8.429 1.00 0.00 N ATOM 896 CA ALA A 59 8.916 2.400 8.195 1.00 0.00 C ATOM 897 C ALA A 59 8.939 2.095 6.696 1.00 0.00 C ATOM 898 O ALA A 59 9.704 1.245 6.243 1.00 0.00 O ATOM 899 CB ALA A 59 7.499 2.379 8.773 1.00 0.00 C ATOM 0 H ALA A 59 8.851 4.446 8.641 1.00 0.00 H new ATOM 0 HA ALA A 59 9.485 1.619 8.699 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.049 1.402 8.597 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.540 2.572 9.845 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.897 3.148 8.289 1.00 0.00 H new ATOM 905 N LEU A 60 8.091 2.806 5.967 1.00 0.00 N ATOM 906 CA LEU A 60 8.004 2.622 4.528 1.00 0.00 C ATOM 907 C LEU A 60 9.413 2.474 3.951 1.00 0.00 C ATOM 908 O LEU A 60 9.606 1.807 2.936 1.00 0.00 O ATOM 909 CB LEU A 60 7.195 3.753 3.891 1.00 0.00 C ATOM 910 CG LEU A 60 5.691 3.745 4.177 1.00 0.00 C ATOM 911 CD1 LEU A 60 5.092 5.141 3.996 1.00 0.00 C ATOM 912 CD2 LEU A 60 4.976 2.699 3.320 1.00 0.00 C ATOM 0 H LEU A 60 7.458 3.510 6.346 1.00 0.00 H new ATOM 0 HA LEU A 60 7.465 1.704 4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.605 4.703 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.340 3.713 2.811 1.00 0.00 H new ATOM 0 HG LEU A 60 5.542 3.463 5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.023 5.108 4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.575 5.836 4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.251 5.475 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.909 2.714 3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.130 2.926 2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.379 1.711 3.541 1.00 0.00 H new ATOM 924 N GLN A 61 10.363 3.107 4.624 1.00 0.00 N ATOM 925 CA GLN A 61 11.749 3.054 4.191 1.00 0.00 C ATOM 926 C GLN A 61 12.280 1.622 4.284 1.00 0.00 C ATOM 927 O GLN A 61 12.625 1.018 3.270 1.00 0.00 O ATOM 928 CB GLN A 61 12.616 4.015 5.008 1.00 0.00 C ATOM 929 CG GLN A 61 12.913 5.291 4.220 1.00 0.00 C ATOM 930 CD GLN A 61 14.346 5.767 4.466 1.00 0.00 C ATOM 931 OE1 GLN A 61 15.104 5.175 5.217 1.00 0.00 O ATOM 932 NE2 GLN A 61 14.674 6.868 3.795 1.00 0.00 N ATOM 0 H GLN A 61 10.200 3.659 5.466 1.00 0.00 H new ATOM 0 HA GLN A 61 11.796 3.371 3.149 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.107 4.268 5.938 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.551 3.525 5.279 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.765 5.108 3.156 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.211 6.073 4.510 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.991 7.314 3.182 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.608 7.266 3.893 1.00 0.00 H new ATOM 941 N LYS A 62 12.329 1.122 5.510 1.00 0.00 N ATOM 942 CA LYS A 62 12.812 -0.228 5.748 1.00 0.00 C ATOM 943 C LYS A 62 12.236 -1.166 4.686 1.00 0.00 C ATOM 944 O LYS A 62 12.852 -2.173 4.342 1.00 0.00 O ATOM 945 CB LYS A 62 12.505 -0.661 7.183 1.00 0.00 C ATOM 946 CG LYS A 62 13.745 -0.537 8.071 1.00 0.00 C ATOM 947 CD LYS A 62 14.453 -1.886 8.215 1.00 0.00 C ATOM 948 CE LYS A 62 15.654 -1.979 7.272 1.00 0.00 C ATOM 949 NZ LYS A 62 16.673 -2.901 7.821 1.00 0.00 N ATOM 0 H LYS A 62 12.042 1.627 6.349 1.00 0.00 H new ATOM 0 HA LYS A 62 13.897 -0.267 5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.701 -0.047 7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.152 -1.692 7.188 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.431 0.194 7.644 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.457 -0.167 9.055 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.784 -2.019 9.245 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.753 -2.693 7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.329 -2.329 6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.089 -0.990 7.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.482 -2.953 7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.996 -2.551 8.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.259 -3.848 7.935 1.00 0.00 H new ATOM 963 N VAL A 63 11.059 -0.803 4.196 1.00 0.00 N ATOM 964 CA VAL A 63 10.393 -1.599 3.180 1.00 0.00 C ATOM 965 C VAL A 63 11.010 -1.295 1.814 1.00 0.00 C ATOM 966 O VAL A 63 11.690 -2.141 1.234 1.00 0.00 O ATOM 967 CB VAL A 63 8.885 -1.348 3.224 1.00 0.00 C ATOM 968 CG1 VAL A 63 8.177 -2.058 2.069 1.00 0.00 C ATOM 969 CG2 VAL A 63 8.297 -1.773 4.571 1.00 0.00 C ATOM 0 H VAL A 63 10.550 0.032 4.484 1.00 0.00 H new ATOM 0 HA VAL A 63 10.538 -2.662 3.372 1.00 0.00 H new ATOM 0 HB VAL A 63 8.721 -0.276 3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.106 -1.863 2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.565 -1.686 1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.354 -3.131 2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.224 -1.584 4.575 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.479 -2.836 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.769 -1.202 5.371 1.00 0.00 H new ATOM 979 N PHE A 64 10.751 -0.086 1.339 1.00 0.00 N ATOM 980 CA PHE A 64 11.273 0.340 0.052 1.00 0.00 C ATOM 981 C PHE A 64 12.764 0.672 0.146 1.00 0.00 C ATOM 982 O PHE A 64 13.594 -0.005 -0.459 1.00 0.00 O ATOM 983 CB PHE A 64 10.506 1.603 -0.346 1.00 0.00 C ATOM 984 CG PHE A 64 8.989 1.415 -0.412 1.00 0.00 C ATOM 985 CD1 PHE A 64 8.447 0.571 -1.331 1.00 0.00 C ATOM 986 CD2 PHE A 64 8.182 2.091 0.449 1.00 0.00 C ATOM 987 CE1 PHE A 64 7.040 0.397 -1.392 1.00 0.00 C ATOM 988 CE2 PHE A 64 6.774 1.917 0.388 1.00 0.00 C ATOM 989 CZ PHE A 64 6.233 1.073 -0.531 1.00 0.00 C ATOM 0 H PHE A 64 10.186 0.612 1.822 1.00 0.00 H new ATOM 0 HA PHE A 64 11.152 -0.458 -0.680 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.733 2.394 0.369 1.00 0.00 H new ATOM 0 HB3 PHE A 64 10.863 1.941 -1.319 1.00 0.00 H new ATOM 0 HD1 PHE A 64 9.088 0.033 -2.014 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.612 2.760 1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.610 -0.272 -2.122 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.133 2.455 1.071 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.162 0.940 -0.577 1.00 0.00 H new ATOM 999 N GLY A 65 13.058 1.713 0.911 1.00 0.00 N ATOM 1000 CA GLY A 65 14.434 2.143 1.092 1.00 0.00 C ATOM 1001 C GLY A 65 14.683 3.490 0.411 1.00 0.00 C ATOM 1002 O GLY A 65 15.825 3.931 0.298 1.00 0.00 O ATOM 0 H GLY A 65 12.367 2.271 1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.656 2.223 2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 65 15.110 1.393 0.681 1.00 0.00 H new ATOM 1006 N GLU A 66 13.594 4.106 -0.025 1.00 0.00 N ATOM 1007 CA GLU A 66 13.679 5.394 -0.693 1.00 0.00 C ATOM 1008 C GLU A 66 12.979 6.470 0.139 1.00 0.00 C ATOM 1009 O GLU A 66 12.258 6.157 1.085 1.00 0.00 O ATOM 1010 CB GLU A 66 13.090 5.321 -2.103 1.00 0.00 C ATOM 1011 CG GLU A 66 14.073 4.665 -3.074 1.00 0.00 C ATOM 1012 CD GLU A 66 15.434 5.364 -3.033 1.00 0.00 C ATOM 1013 OE1 GLU A 66 15.432 6.612 -3.095 1.00 0.00 O ATOM 1014 OE2 GLU A 66 16.444 4.634 -2.940 1.00 0.00 O ATOM 0 H GLU A 66 12.648 3.737 0.071 1.00 0.00 H new ATOM 0 HA GLU A 66 14.731 5.663 -0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.159 4.754 -2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.844 6.324 -2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.193 3.612 -2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.671 4.704 -4.086 1.00 0.00 H new ATOM 1021 N GLU A 67 13.216 7.716 -0.244 1.00 0.00 N ATOM 1022 CA GLU A 67 12.617 8.841 0.455 1.00 0.00 C ATOM 1023 C GLU A 67 11.135 8.960 0.096 1.00 0.00 C ATOM 1024 O GLU A 67 10.309 9.281 0.949 1.00 0.00 O ATOM 1025 CB GLU A 67 13.363 10.140 0.144 1.00 0.00 C ATOM 1026 CG GLU A 67 13.196 10.530 -1.326 1.00 0.00 C ATOM 1027 CD GLU A 67 13.884 11.864 -1.620 1.00 0.00 C ATOM 1028 OE1 GLU A 67 13.232 12.904 -1.382 1.00 0.00 O ATOM 1029 OE2 GLU A 67 15.046 11.815 -2.078 1.00 0.00 O ATOM 0 H GLU A 67 13.815 7.972 -1.029 1.00 0.00 H new ATOM 0 HA GLU A 67 12.698 8.663 1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.987 10.941 0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.422 10.020 0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.617 9.752 -1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.136 10.602 -1.569 1.00 0.00 H new ATOM 1036 N LYS A 68 10.842 8.696 -1.169 1.00 0.00 N ATOM 1037 CA LYS A 68 9.474 8.770 -1.652 1.00 0.00 C ATOM 1038 C LYS A 68 9.261 7.709 -2.734 1.00 0.00 C ATOM 1039 O LYS A 68 10.224 7.191 -3.298 1.00 0.00 O ATOM 1040 CB LYS A 68 9.144 10.191 -2.112 1.00 0.00 C ATOM 1041 CG LYS A 68 9.959 10.570 -3.351 1.00 0.00 C ATOM 1042 CD LYS A 68 9.142 11.454 -4.295 1.00 0.00 C ATOM 1043 CE LYS A 68 9.553 11.227 -5.751 1.00 0.00 C ATOM 1044 NZ LYS A 68 10.644 12.152 -6.132 1.00 0.00 N ATOM 0 H LYS A 68 11.529 8.430 -1.874 1.00 0.00 H new ATOM 0 HA LYS A 68 8.774 8.550 -0.846 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.080 10.267 -2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.352 10.895 -1.306 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.865 11.095 -3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.274 9.667 -3.874 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.081 11.237 -4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.285 12.502 -4.032 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.879 10.196 -5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.695 11.379 -6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.911 11.985 -7.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.321 13.134 -6.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.468 11.988 -5.519 1.00 0.00 H new ATOM 1058 N LEU A 69 7.994 7.417 -2.990 1.00 0.00 N ATOM 1059 CA LEU A 69 7.643 6.427 -3.994 1.00 0.00 C ATOM 1060 C LEU A 69 6.300 6.800 -4.625 1.00 0.00 C ATOM 1061 O LEU A 69 5.562 7.621 -4.082 1.00 0.00 O ATOM 1062 CB LEU A 69 7.669 5.020 -3.392 1.00 0.00 C ATOM 1063 CG LEU A 69 8.618 4.022 -4.059 1.00 0.00 C ATOM 1064 CD1 LEU A 69 9.488 3.314 -3.019 1.00 0.00 C ATOM 1065 CD2 LEU A 69 7.846 3.031 -4.932 1.00 0.00 C ATOM 0 H LEU A 69 7.198 7.848 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 69 8.382 6.420 -4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.941 5.102 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.659 4.612 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 69 9.289 4.575 -4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.153 2.610 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.081 4.051 -2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.851 2.775 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.544 2.333 -5.394 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.136 2.480 -4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.307 3.573 -5.709 1.00 0.00 H new ATOM 1077 N LYS A 70 6.025 6.181 -5.763 1.00 0.00 N ATOM 1078 CA LYS A 70 4.784 6.438 -6.474 1.00 0.00 C ATOM 1079 C LYS A 70 3.670 5.578 -5.873 1.00 0.00 C ATOM 1080 O LYS A 70 3.923 4.473 -5.395 1.00 0.00 O ATOM 1081 CB LYS A 70 4.975 6.234 -7.978 1.00 0.00 C ATOM 1082 CG LYS A 70 6.229 6.957 -8.474 1.00 0.00 C ATOM 1083 CD LYS A 70 6.555 6.564 -9.916 1.00 0.00 C ATOM 1084 CE LYS A 70 8.035 6.208 -10.067 1.00 0.00 C ATOM 1085 NZ LYS A 70 8.215 5.167 -11.103 1.00 0.00 N ATOM 0 H LYS A 70 6.640 5.502 -6.211 1.00 0.00 H new ATOM 0 HA LYS A 70 4.485 7.479 -6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.054 5.169 -8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.101 6.605 -8.513 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.080 8.035 -8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.073 6.714 -7.828 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.941 5.714 -10.212 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.305 7.387 -10.586 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.604 7.098 -10.335 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.429 5.853 -9.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.126 4.687 -10.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.443 4.473 -11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.203 5.608 -12.045 1.00 0.00 H new ATOM 1099 N PHE A 71 2.460 6.117 -5.919 1.00 0.00 N ATOM 1100 CA PHE A 71 1.306 5.412 -5.386 1.00 0.00 C ATOM 1101 C PHE A 71 0.958 4.199 -6.249 1.00 0.00 C ATOM 1102 O PHE A 71 0.208 3.323 -5.822 1.00 0.00 O ATOM 1103 CB PHE A 71 0.133 6.394 -5.409 1.00 0.00 C ATOM 1104 CG PHE A 71 0.050 7.294 -4.175 1.00 0.00 C ATOM 1105 CD1 PHE A 71 -0.030 6.741 -2.934 1.00 0.00 C ATOM 1106 CD2 PHE A 71 0.055 8.646 -4.317 1.00 0.00 C ATOM 1107 CE1 PHE A 71 -0.107 7.577 -1.789 1.00 0.00 C ATOM 1108 CE2 PHE A 71 -0.022 9.482 -3.172 1.00 0.00 C ATOM 1109 CZ PHE A 71 -0.101 8.929 -1.931 1.00 0.00 C ATOM 0 H PHE A 71 2.254 7.033 -6.317 1.00 0.00 H new ATOM 0 HA PHE A 71 1.520 5.057 -4.378 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.214 7.020 -6.298 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.796 5.832 -5.499 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.035 5.667 -2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.118 9.085 -5.302 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.170 7.138 -0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.018 10.556 -3.286 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.159 9.564 -1.059 1.00 0.00 H new ATOM 1119 N THR A 72 1.519 4.185 -7.449 1.00 0.00 N ATOM 1120 CA THR A 72 1.277 3.094 -8.377 1.00 0.00 C ATOM 1121 C THR A 72 2.423 2.081 -8.320 1.00 0.00 C ATOM 1122 O THR A 72 2.194 0.875 -8.388 1.00 0.00 O ATOM 1123 CB THR A 72 1.065 3.693 -9.768 1.00 0.00 C ATOM 1124 OG1 THR A 72 2.183 4.559 -9.947 1.00 0.00 O ATOM 1125 CG2 THR A 72 -0.144 4.630 -9.825 1.00 0.00 C ATOM 0 H THR A 72 2.141 4.913 -7.800 1.00 0.00 H new ATOM 0 HA THR A 72 0.379 2.538 -8.107 1.00 0.00 H new ATOM 0 HB THR A 72 0.936 2.889 -10.493 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.127 4.989 -10.826 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.249 5.028 -10.834 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.045 4.078 -9.557 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.000 5.452 -9.124 1.00 0.00 H new ATOM 1133 N MET A 73 3.631 2.610 -8.195 1.00 0.00 N ATOM 1134 CA MET A 73 4.813 1.768 -8.128 1.00 0.00 C ATOM 1135 C MET A 73 4.766 0.853 -6.902 1.00 0.00 C ATOM 1136 O MET A 73 5.333 -0.238 -6.915 1.00 0.00 O ATOM 1137 CB MET A 73 6.064 2.647 -8.061 1.00 0.00 C ATOM 1138 CG MET A 73 6.239 3.449 -9.352 1.00 0.00 C ATOM 1139 SD MET A 73 6.942 2.414 -10.624 1.00 0.00 S ATOM 1140 CE MET A 73 8.549 2.097 -9.913 1.00 0.00 C ATOM 0 H MET A 73 3.817 3.611 -8.138 1.00 0.00 H new ATOM 0 HA MET A 73 4.843 1.145 -9.022 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.990 3.328 -7.213 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.942 2.024 -7.894 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.276 3.839 -9.681 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.886 4.307 -9.172 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.288 2.006 -10.709 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.825 2.921 -9.255 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.517 1.170 -9.340 1.00 0.00 H new ATOM 1150 N VAL A 74 4.084 1.332 -5.872 1.00 0.00 N ATOM 1151 CA VAL A 74 3.955 0.572 -4.641 1.00 0.00 C ATOM 1152 C VAL A 74 3.737 -0.904 -4.978 1.00 0.00 C ATOM 1153 O VAL A 74 4.568 -1.749 -4.651 1.00 0.00 O ATOM 1154 CB VAL A 74 2.837 1.160 -3.777 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.764 0.455 -2.421 1.00 0.00 C ATOM 1156 CG2 VAL A 74 3.015 2.669 -3.602 1.00 0.00 C ATOM 0 H VAL A 74 3.615 2.238 -5.865 1.00 0.00 H new ATOM 0 HA VAL A 74 4.871 0.639 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 74 1.892 0.992 -4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.962 0.892 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.567 -0.606 -2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.712 0.576 -1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.207 3.061 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.971 2.869 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.993 3.154 -4.578 1.00 0.00 H new ATOM 1166 N SER A 75 2.614 -1.169 -5.630 1.00 0.00 N ATOM 1167 CA SER A 75 2.275 -2.529 -6.015 1.00 0.00 C ATOM 1168 C SER A 75 3.526 -3.259 -6.510 1.00 0.00 C ATOM 1169 O SER A 75 3.856 -4.336 -6.016 1.00 0.00 O ATOM 1170 CB SER A 75 1.192 -2.541 -7.095 1.00 0.00 C ATOM 1171 OG SER A 75 1.684 -2.081 -8.351 1.00 0.00 O ATOM 0 H SER A 75 1.927 -0.465 -5.901 1.00 0.00 H new ATOM 0 HA SER A 75 1.883 -3.046 -5.139 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.803 -3.553 -7.207 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.359 -1.912 -6.780 1.00 0.00 H new ATOM 0 HG SER A 75 1.817 -1.111 -8.315 1.00 0.00 H new ATOM 1177 N GLN A 76 4.187 -2.643 -7.479 1.00 0.00 N ATOM 1178 CA GLN A 76 5.394 -3.221 -8.045 1.00 0.00 C ATOM 1179 C GLN A 76 6.420 -3.495 -6.944 1.00 0.00 C ATOM 1180 O GLN A 76 7.055 -4.548 -6.930 1.00 0.00 O ATOM 1181 CB GLN A 76 5.981 -2.313 -9.128 1.00 0.00 C ATOM 1182 CG GLN A 76 6.622 -3.137 -10.246 1.00 0.00 C ATOM 1183 CD GLN A 76 6.886 -2.273 -11.481 1.00 0.00 C ATOM 1184 OE1 GLN A 76 7.588 -1.276 -11.435 1.00 0.00 O ATOM 1185 NE2 GLN A 76 6.285 -2.708 -12.585 1.00 0.00 N ATOM 0 H GLN A 76 3.910 -1.750 -7.886 1.00 0.00 H new ATOM 0 HA GLN A 76 5.133 -4.170 -8.514 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.196 -1.680 -9.542 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.726 -1.650 -8.687 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.558 -3.569 -9.893 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.968 -3.967 -10.512 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.711 -3.550 -12.555 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.399 -2.199 -13.462 1.00 0.00 H new ATOM 1194 N LYS A 77 6.549 -2.528 -6.047 1.00 0.00 N ATOM 1195 CA LYS A 77 7.487 -2.651 -4.944 1.00 0.00 C ATOM 1196 C LYS A 77 6.959 -3.683 -3.944 1.00 0.00 C ATOM 1197 O LYS A 77 7.507 -4.778 -3.831 1.00 0.00 O ATOM 1198 CB LYS A 77 7.767 -1.281 -4.323 1.00 0.00 C ATOM 1199 CG LYS A 77 8.537 -0.386 -5.295 1.00 0.00 C ATOM 1200 CD LYS A 77 10.042 -0.453 -5.028 1.00 0.00 C ATOM 1201 CE LYS A 77 10.762 0.750 -5.640 1.00 0.00 C ATOM 1202 NZ LYS A 77 12.229 0.556 -5.593 1.00 0.00 N ATOM 0 H LYS A 77 6.020 -1.656 -6.062 1.00 0.00 H new ATOM 0 HA LYS A 77 8.450 -3.016 -5.302 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.827 -0.803 -4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.341 -1.404 -3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.332 -0.695 -6.320 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.192 0.643 -5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.223 -0.482 -3.954 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.448 -1.375 -5.445 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.440 0.887 -6.672 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.492 1.657 -5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.702 1.382 -6.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.533 0.448 -4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.484 -0.298 -6.129 1.00 0.00 H new ATOM 1216 N ILE A 78 5.902 -3.296 -3.246 1.00 0.00 N ATOM 1217 CA ILE A 78 5.295 -4.173 -2.260 1.00 0.00 C ATOM 1218 C ILE A 78 5.309 -5.610 -2.785 1.00 0.00 C ATOM 1219 O ILE A 78 5.423 -6.557 -2.008 1.00 0.00 O ATOM 1220 CB ILE A 78 3.900 -3.671 -1.882 1.00 0.00 C ATOM 1221 CG1 ILE A 78 2.955 -3.722 -3.084 1.00 0.00 C ATOM 1222 CG2 ILE A 78 3.969 -2.272 -1.266 1.00 0.00 C ATOM 1223 CD1 ILE A 78 2.230 -5.067 -3.156 1.00 0.00 C ATOM 0 H ILE A 78 5.450 -2.387 -3.344 1.00 0.00 H new ATOM 0 HA ILE A 78 5.873 -4.164 -1.336 1.00 0.00 H new ATOM 0 HB ILE A 78 3.491 -4.337 -1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.226 -2.915 -3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.520 -3.560 -4.002 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.964 -1.939 -1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.585 -2.300 -0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.407 -1.579 -1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.565 -5.076 -4.019 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.961 -5.870 -3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.647 -5.215 -2.247 1.00 0.00 H new ATOM 1235 N SER A 79 5.193 -5.728 -4.099 1.00 0.00 N ATOM 1236 CA SER A 79 5.191 -7.033 -4.737 1.00 0.00 C ATOM 1237 C SER A 79 6.309 -7.901 -4.155 1.00 0.00 C ATOM 1238 O SER A 79 6.053 -8.995 -3.653 1.00 0.00 O ATOM 1239 CB SER A 79 5.353 -6.906 -6.253 1.00 0.00 C ATOM 1240 OG SER A 79 6.567 -7.496 -6.712 1.00 0.00 O ATOM 0 H SER A 79 5.100 -4.940 -4.740 1.00 0.00 H new ATOM 0 HA SER A 79 4.230 -7.508 -4.540 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.508 -7.383 -6.749 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.333 -5.853 -6.533 1.00 0.00 H new ATOM 0 HG SER A 79 7.199 -6.790 -6.963 1.00 0.00 H new ATOM 1246 N HIS A 80 7.524 -7.381 -4.241 1.00 0.00 N ATOM 1247 CA HIS A 80 8.682 -8.095 -3.729 1.00 0.00 C ATOM 1248 C HIS A 80 8.414 -8.541 -2.290 1.00 0.00 C ATOM 1249 O HIS A 80 8.924 -9.570 -1.850 1.00 0.00 O ATOM 1250 CB HIS A 80 9.947 -7.245 -3.861 1.00 0.00 C ATOM 1251 CG HIS A 80 11.226 -8.003 -3.599 1.00 0.00 C ATOM 1252 ND1 HIS A 80 12.208 -8.170 -4.560 1.00 0.00 N ATOM 1253 CD2 HIS A 80 11.674 -8.635 -2.477 1.00 0.00 C ATOM 1254 CE1 HIS A 80 13.197 -8.874 -4.029 1.00 0.00 C ATOM 1255 NE2 HIS A 80 12.864 -9.161 -2.738 1.00 0.00 N ATOM 0 H HIS A 80 7.732 -6.474 -4.658 1.00 0.00 H new ATOM 0 HA HIS A 80 8.854 -8.992 -4.325 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.986 -6.823 -4.865 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.884 -6.408 -3.166 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.149 -8.697 -1.535 1.00 0.00 H new ATOM 0 HE1 HIS A 80 14.107 -9.169 -4.530 1.00 0.00 H new ATOM 0 HE2 HIS A 80 13.436 -9.692 -2.081 1.00 0.00 H new ATOM 1263 N HIS A 81 7.616 -7.743 -1.596 1.00 0.00 N ATOM 1264 CA HIS A 81 7.275 -8.042 -0.215 1.00 0.00 C ATOM 1265 C HIS A 81 6.113 -9.037 -0.178 1.00 0.00 C ATOM 1266 O HIS A 81 6.011 -9.843 0.746 1.00 0.00 O ATOM 1267 CB HIS A 81 6.980 -6.758 0.562 1.00 0.00 C ATOM 1268 CG HIS A 81 8.167 -5.832 0.691 1.00 0.00 C ATOM 1269 ND1 HIS A 81 9.356 -6.216 1.285 1.00 0.00 N ATOM 1270 CD2 HIS A 81 8.334 -4.537 0.295 1.00 0.00 C ATOM 1271 CE1 HIS A 81 10.194 -5.190 1.244 1.00 0.00 C ATOM 1272 NE2 HIS A 81 9.558 -4.151 0.631 1.00 0.00 N ATOM 0 H HIS A 81 7.196 -6.890 -1.964 1.00 0.00 H new ATOM 0 HA HIS A 81 8.126 -8.510 0.280 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.168 -6.225 0.068 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.628 -7.022 1.559 1.00 0.00 H new ATOM 0 HD2 HIS A 81 7.595 -3.929 -0.207 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.203 -5.179 1.628 1.00 0.00 H new ATOM 0 HE2 HIS A 81 9.958 -3.228 0.459 1.00 0.00 H new ATOM 1280 N LEU A 82 5.267 -8.948 -1.193 1.00 0.00 N ATOM 1281 CA LEU A 82 4.117 -9.831 -1.288 1.00 0.00 C ATOM 1282 C LEU A 82 4.597 -11.282 -1.358 1.00 0.00 C ATOM 1283 O LEU A 82 5.199 -11.693 -2.349 1.00 0.00 O ATOM 1284 CB LEU A 82 3.223 -9.422 -2.460 1.00 0.00 C ATOM 1285 CG LEU A 82 2.654 -8.003 -2.406 1.00 0.00 C ATOM 1286 CD1 LEU A 82 1.560 -7.810 -3.458 1.00 0.00 C ATOM 1287 CD2 LEU A 82 2.162 -7.662 -0.998 1.00 0.00 C ATOM 0 H LEU A 82 5.355 -8.278 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 82 3.495 -9.743 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.795 -9.528 -3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.391 -10.124 -2.519 1.00 0.00 H new ATOM 0 HG LEU A 82 3.456 -7.305 -2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.173 -6.793 -3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.976 -7.982 -4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.751 -8.518 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.763 -6.648 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.380 -8.363 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.992 -7.732 -0.296 1.00 0.00 H new ATOM 1299 N SER A 83 4.313 -12.018 -0.293 1.00 0.00 N ATOM 1300 CA SER A 83 4.708 -13.414 -0.222 1.00 0.00 C ATOM 1301 C SER A 83 3.480 -14.295 0.014 1.00 0.00 C ATOM 1302 O SER A 83 2.439 -13.809 0.454 1.00 0.00 O ATOM 1303 CB SER A 83 5.742 -13.638 0.884 1.00 0.00 C ATOM 1304 OG SER A 83 7.076 -13.490 0.406 1.00 0.00 O ATOM 0 H SER A 83 3.814 -11.673 0.527 1.00 0.00 H new ATOM 0 HA SER A 83 5.166 -13.688 -1.172 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.566 -12.929 1.693 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.615 -14.637 1.302 1.00 0.00 H new ATOM 0 HG SER A 83 7.706 -13.639 1.142 1.00 0.00 H new ATOM 1310 N PRO A 84 3.646 -15.608 -0.297 1.00 0.00 N ATOM 1311 CA PRO A 84 2.562 -16.561 -0.124 1.00 0.00 C ATOM 1312 C PRO A 84 2.362 -16.901 1.355 1.00 0.00 C ATOM 1313 O PRO A 84 3.299 -17.323 2.031 1.00 0.00 O ATOM 1314 CB PRO A 84 2.960 -17.765 -0.961 1.00 0.00 C ATOM 1315 CG PRO A 84 4.456 -17.633 -1.198 1.00 0.00 C ATOM 1316 CD PRO A 84 4.864 -16.219 -0.820 1.00 0.00 C ATOM 0 HA PRO A 84 1.599 -16.167 -0.449 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.727 -18.695 -0.442 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.415 -17.782 -1.905 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.003 -18.361 -0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.696 -17.834 -2.242 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.657 -16.222 -0.073 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.242 -15.672 -1.684 1.00 0.00 H new ATOM 1324 N PRO A 85 1.103 -16.699 1.826 1.00 0.00 N ATOM 1325 CA PRO A 85 0.768 -16.979 3.212 1.00 0.00 C ATOM 1326 C PRO A 85 0.654 -18.486 3.454 1.00 0.00 C ATOM 1327 O PRO A 85 0.700 -19.275 2.512 1.00 0.00 O ATOM 1328 CB PRO A 85 -0.536 -16.238 3.459 1.00 0.00 C ATOM 1329 CG PRO A 85 -1.122 -15.955 2.085 1.00 0.00 C ATOM 1330 CD PRO A 85 -0.032 -16.200 1.054 1.00 0.00 C ATOM 0 HA PRO A 85 1.538 -16.645 3.907 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.219 -16.839 4.059 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.361 -15.312 4.007 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.979 -16.601 1.895 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.479 -14.927 2.026 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.351 -16.925 0.305 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.223 -15.283 0.522 1.00 0.00 H new ATOM 1338 N PRO A 86 0.505 -18.848 4.756 1.00 0.00 N ATOM 1339 CA PRO A 86 0.384 -20.246 5.135 1.00 0.00 C ATOM 1340 C PRO A 86 -1.003 -20.790 4.788 1.00 0.00 C ATOM 1341 O PRO A 86 -2.002 -20.369 5.369 1.00 0.00 O ATOM 1342 CB PRO A 86 0.679 -20.276 6.626 1.00 0.00 C ATOM 1343 CG PRO A 86 0.495 -18.849 7.116 1.00 0.00 C ATOM 1344 CD PRO A 86 0.447 -17.941 5.899 1.00 0.00 C ATOM 0 HA PRO A 86 1.076 -20.891 4.593 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.004 -20.957 7.144 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.693 -20.627 6.816 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -0.424 -18.760 7.695 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.315 -18.563 7.774 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.466 -17.345 5.886 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.284 -17.243 5.893 1.00 0.00 H new ATOM 1352 N PRO A 87 -1.020 -21.743 3.818 1.00 0.00 N ATOM 1353 CA PRO A 87 -2.268 -22.350 3.387 1.00 0.00 C ATOM 1354 C PRO A 87 -2.779 -23.349 4.426 1.00 0.00 C ATOM 1355 O PRO A 87 -3.874 -23.187 4.962 1.00 0.00 O ATOM 1356 CB PRO A 87 -1.950 -22.995 2.048 1.00 0.00 C ATOM 1357 CG PRO A 87 -0.436 -23.127 1.998 1.00 0.00 C ATOM 1358 CD PRO A 87 0.144 -22.266 3.108 1.00 0.00 C ATOM 0 HA PRO A 87 -3.075 -21.625 3.283 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.430 -23.970 1.960 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.316 -22.384 1.223 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.139 -24.168 2.128 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -0.057 -22.806 1.028 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.782 -22.851 3.770 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.757 -21.460 2.705 1.00 0.00 H new ATOM 1366 N SER A 88 -1.962 -24.361 4.678 1.00 0.00 N ATOM 1367 CA SER A 88 -2.318 -25.387 5.644 1.00 0.00 C ATOM 1368 C SER A 88 -1.061 -25.905 6.345 1.00 0.00 C ATOM 1369 O SER A 88 -0.918 -25.761 7.558 1.00 0.00 O ATOM 1370 CB SER A 88 -3.064 -26.541 4.971 1.00 0.00 C ATOM 1371 OG SER A 88 -2.323 -27.098 3.889 1.00 0.00 O ATOM 0 H SER A 88 -1.055 -24.493 4.230 1.00 0.00 H new ATOM 0 HA SER A 88 -2.982 -24.943 6.385 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.270 -27.318 5.707 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.027 -26.185 4.605 1.00 0.00 H new ATOM 0 HG SER A 88 -2.833 -27.832 3.487 1.00 0.00 H new ATOM 1377 N GLY A 89 -0.181 -26.497 5.551 1.00 0.00 N ATOM 1378 CA GLY A 89 1.060 -27.037 6.080 1.00 0.00 C ATOM 1379 C GLY A 89 2.223 -26.072 5.844 1.00 0.00 C ATOM 1380 O GLY A 89 2.011 -24.880 5.624 1.00 0.00 O ATOM 0 H GLY A 89 -0.303 -26.615 4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.952 -27.227 7.148 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.275 -27.994 5.606 1.00 0.00 H new ATOM 1384 N PRO A 90 3.459 -26.637 5.897 1.00 0.00 N ATOM 1385 CA PRO A 90 4.656 -25.839 5.692 1.00 0.00 C ATOM 1386 C PRO A 90 4.839 -25.497 4.212 1.00 0.00 C ATOM 1387 O PRO A 90 5.561 -26.189 3.496 1.00 0.00 O ATOM 1388 CB PRO A 90 5.791 -26.682 6.251 1.00 0.00 C ATOM 1389 CG PRO A 90 5.258 -28.103 6.325 1.00 0.00 C ATOM 1390 CD PRO A 90 3.749 -28.044 6.155 1.00 0.00 C ATOM 0 HA PRO A 90 4.609 -24.873 6.195 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.670 -26.628 5.609 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.093 -26.326 7.236 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.706 -28.720 5.546 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.517 -28.559 7.281 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.419 -28.674 5.329 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.236 -28.396 7.050 1.00 0.00 H new ATOM 1398 N SER A 91 4.173 -24.429 3.797 1.00 0.00 N ATOM 1399 CA SER A 91 4.253 -23.987 2.416 1.00 0.00 C ATOM 1400 C SER A 91 4.108 -25.184 1.474 1.00 0.00 C ATOM 1401 O SER A 91 5.101 -25.803 1.093 1.00 0.00 O ATOM 1402 CB SER A 91 5.570 -23.256 2.147 1.00 0.00 C ATOM 1403 OG SER A 91 5.673 -22.049 2.897 1.00 0.00 O ATOM 0 H SER A 91 3.575 -23.857 4.394 1.00 0.00 H new ATOM 0 HA SER A 91 3.437 -23.288 2.233 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.405 -23.910 2.396 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.649 -23.030 1.084 1.00 0.00 H new ATOM 0 HG SER A 91 6.528 -21.613 2.699 1.00 0.00 H new ATOM 1409 N SER A 92 2.864 -25.474 1.124 1.00 0.00 N ATOM 1410 CA SER A 92 2.577 -26.586 0.234 1.00 0.00 C ATOM 1411 C SER A 92 1.233 -26.364 -0.464 1.00 0.00 C ATOM 1412 O SER A 92 0.244 -26.022 0.182 1.00 0.00 O ATOM 1413 CB SER A 92 2.567 -27.913 0.995 1.00 0.00 C ATOM 1414 OG SER A 92 3.797 -28.618 0.856 1.00 0.00 O ATOM 0 H SER A 92 2.043 -24.958 1.441 1.00 0.00 H new ATOM 0 HA SER A 92 3.366 -26.635 -0.517 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.375 -27.724 2.051 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.750 -28.534 0.629 1.00 0.00 H new ATOM 0 HG SER A 92 4.544 -27.985 0.901 1.00 0.00 H new ATOM 1420 N GLY A 93 1.241 -26.568 -1.773 1.00 0.00 N ATOM 1421 CA GLY A 93 0.035 -26.394 -2.565 1.00 0.00 C ATOM 1422 C GLY A 93 -0.585 -27.747 -2.922 1.00 0.00 C ATOM 1423 O GLY A 93 -0.931 -28.528 -2.037 1.00 0.00 O ATOM 0 H GLY A 93 2.063 -26.852 -2.305 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.686 -25.794 -2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.270 -25.845 -3.477 1.00 0.00 H new TER 1427 GLY A 93