USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 550 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 8 HIS : no HD1:sc= -0.156 K(o=-0.24,f=-3.1!) USER MOD Set 1.2: A 101 MET CE :methyl -162:sc= -0.0867 (180deg=-0.561) USER MOD Set 2.1: A 5 HIS : no HE2:sc= 0.763 K(o=1.7,f=-4.6!) USER MOD Set 2.2: A 7 HIS : no HE2:sc= 0.952 K(o=1.7,f=-5.3!) USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.00971) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.0491 K(o=-0.049,f=-0.66) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 10 HIS : no HD1:sc= -0.113 K(o=-0.11,f=-1.4) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.119 K(o=-0.12,f=-0.95) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.481 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.704 K(o=0.7,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= 2.39 (180deg=2.1) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= 0.0663 K(o=0.066,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.423 34.090 -2.021 1.00 0.00 N ATOM 2 CA MET A 1 6.010 32.768 -2.599 1.00 0.00 C ATOM 3 C MET A 1 5.346 32.967 -3.975 1.00 0.00 C ATOM 4 O MET A 1 4.161 33.291 -4.042 1.00 0.00 O ATOM 5 CB MET A 1 5.067 31.978 -1.649 1.00 0.00 C ATOM 6 CG MET A 1 5.741 31.498 -0.351 1.00 0.00 C ATOM 7 SD MET A 1 4.700 30.461 0.725 1.00 0.00 S ATOM 8 CE MET A 1 3.479 31.672 1.310 1.00 0.00 C ATOM 0 H1 MET A 1 6.869 33.939 -1.094 1.00 0.00 H new ATOM 0 H2 MET A 1 7.101 34.552 -2.660 1.00 0.00 H new ATOM 0 H3 MET A 1 5.586 34.696 -1.908 1.00 0.00 H new ATOM 0 HA MET A 1 6.915 32.173 -2.722 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.216 32.609 -1.392 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.673 31.113 -2.182 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.638 30.937 -0.612 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.065 32.371 0.216 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.805 31.195 2.022 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.993 32.501 1.797 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.905 32.048 0.463 1.00 0.00 H new ATOM 20 N ARG A 2 6.101 32.816 -5.079 1.00 0.00 N ATOM 21 CA ARG A 2 5.608 32.977 -6.474 1.00 0.00 C ATOM 22 C ARG A 2 6.408 32.163 -7.506 1.00 0.00 C ATOM 23 O ARG A 2 7.486 31.653 -7.205 1.00 0.00 O ATOM 24 CB ARG A 2 5.536 34.486 -6.834 1.00 0.00 C ATOM 25 CG ARG A 2 6.818 35.332 -6.678 1.00 0.00 C ATOM 26 CD ARG A 2 7.900 35.076 -7.737 1.00 0.00 C ATOM 27 NE ARG A 2 8.995 36.064 -7.624 1.00 0.00 N ATOM 28 CZ ARG A 2 10.062 36.159 -8.400 1.00 0.00 C ATOM 29 NH1 ARG A 2 10.272 35.348 -9.399 1.00 0.00 N ATOM 30 NH2 ARG A 2 10.949 37.087 -8.183 1.00 0.00 N ATOM 0 H ARG A 2 7.091 32.574 -5.033 1.00 0.00 H new ATOM 0 HA ARG A 2 4.602 32.559 -6.518 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.207 34.566 -7.870 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.760 34.939 -6.217 1.00 0.00 H new ATOM 0 HG2 ARG A 2 6.545 36.387 -6.708 1.00 0.00 H new ATOM 0 HG3 ARG A 2 7.243 35.141 -5.693 1.00 0.00 H new ATOM 0 HD2 ARG A 2 8.300 34.069 -7.618 1.00 0.00 H new ATOM 0 HD3 ARG A 2 7.459 35.128 -8.733 1.00 0.00 H new ATOM 0 HE ARG A 2 8.919 36.744 -6.868 1.00 0.00 H new ATOM 0 HH11 ARG A 2 9.601 34.608 -9.605 1.00 0.00 H new ATOM 0 HH12 ARG A 2 11.107 35.454 -9.975 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.822 37.744 -7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.771 37.157 -8.783 1.00 0.00 H new ATOM 44 N GLY A 3 5.892 32.095 -8.738 1.00 0.00 N ATOM 45 CA GLY A 3 6.626 31.655 -9.940 1.00 0.00 C ATOM 46 C GLY A 3 6.515 30.171 -10.323 1.00 0.00 C ATOM 47 O GLY A 3 7.040 29.781 -11.368 1.00 0.00 O ATOM 0 H GLY A 3 4.925 32.351 -8.937 1.00 0.00 H new ATOM 0 HA2 GLY A 3 6.279 32.249 -10.785 1.00 0.00 H new ATOM 0 HA3 GLY A 3 7.681 31.890 -9.797 1.00 0.00 H new ATOM 51 N SER A 4 5.835 29.340 -9.527 1.00 0.00 N ATOM 52 CA SER A 4 5.691 27.894 -9.792 1.00 0.00 C ATOM 53 C SER A 4 4.556 27.602 -10.784 1.00 0.00 C ATOM 54 O SER A 4 3.377 27.804 -10.477 1.00 0.00 O ATOM 55 CB SER A 4 5.474 27.125 -8.484 1.00 0.00 C ATOM 56 OG SER A 4 6.584 27.302 -7.614 1.00 0.00 O ATOM 0 H SER A 4 5.365 29.647 -8.676 1.00 0.00 H new ATOM 0 HA SER A 4 6.620 27.554 -10.250 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.563 27.473 -7.997 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.336 26.065 -8.697 1.00 0.00 H new ATOM 0 HG SER A 4 6.430 26.807 -6.783 1.00 0.00 H new ATOM 62 N HIS A 5 4.901 27.089 -11.969 1.00 0.00 N ATOM 63 CA HIS A 5 3.944 26.744 -13.032 1.00 0.00 C ATOM 64 C HIS A 5 3.570 25.254 -13.034 1.00 0.00 C ATOM 65 O HIS A 5 4.430 24.390 -12.845 1.00 0.00 O ATOM 66 CB HIS A 5 4.494 27.174 -14.403 1.00 0.00 C ATOM 67 CG HIS A 5 3.535 26.841 -15.523 1.00 0.00 C ATOM 68 ND1 HIS A 5 2.304 27.469 -15.743 1.00 0.00 N ATOM 69 CD2 HIS A 5 3.633 25.760 -16.351 1.00 0.00 C ATOM 70 CE1 HIS A 5 1.696 26.757 -16.709 1.00 0.00 C ATOM 71 NE2 HIS A 5 2.468 25.726 -17.089 1.00 0.00 N ATOM 0 H HIS A 5 5.870 26.897 -12.224 1.00 0.00 H new ATOM 0 HA HIS A 5 3.024 27.292 -12.828 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.687 28.247 -14.397 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.449 26.679 -14.583 1.00 0.00 H new ATOM 0 HD1 HIS A 5 1.942 28.296 -15.269 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.460 25.068 -16.416 1.00 0.00 H new ATOM 0 HE1 HIS A 5 0.724 26.983 -17.121 1.00 0.00 H new ATOM 79 N HIS A 6 2.298 24.955 -13.304 1.00 0.00 N ATOM 80 CA HIS A 6 1.811 23.631 -13.714 1.00 0.00 C ATOM 81 C HIS A 6 0.498 23.763 -14.508 1.00 0.00 C ATOM 82 O HIS A 6 -0.233 24.745 -14.342 1.00 0.00 O ATOM 83 CB HIS A 6 1.622 22.722 -12.486 1.00 0.00 C ATOM 84 CG HIS A 6 1.766 21.259 -12.826 1.00 0.00 C ATOM 85 ND1 HIS A 6 0.810 20.477 -13.476 1.00 0.00 N ATOM 86 CD2 HIS A 6 2.883 20.504 -12.610 1.00 0.00 C ATOM 87 CE1 HIS A 6 1.370 19.268 -13.637 1.00 0.00 C ATOM 88 NE2 HIS A 6 2.612 19.254 -13.121 1.00 0.00 N ATOM 0 H HIS A 6 1.552 25.648 -13.242 1.00 0.00 H new ATOM 0 HA HIS A 6 2.556 23.172 -14.364 1.00 0.00 H new ATOM 0 HB2 HIS A 6 2.354 22.989 -11.724 1.00 0.00 H new ATOM 0 HB3 HIS A 6 0.636 22.897 -12.056 1.00 0.00 H new ATOM 0 HD2 HIS A 6 3.798 20.824 -12.133 1.00 0.00 H new ATOM 0 HE1 HIS A 6 0.891 18.425 -14.114 1.00 0.00 H new ATOM 0 HE2 HIS A 6 3.245 18.454 -13.110 1.00 0.00 H new ATOM 96 N HIS A 7 0.178 22.776 -15.349 1.00 0.00 N ATOM 97 CA HIS A 7 -1.100 22.655 -16.060 1.00 0.00 C ATOM 98 C HIS A 7 -1.492 21.180 -16.258 1.00 0.00 C ATOM 99 O HIS A 7 -0.665 20.347 -16.641 1.00 0.00 O ATOM 100 CB HIS A 7 -1.058 23.419 -17.397 1.00 0.00 C ATOM 101 CG HIS A 7 -0.041 22.920 -18.403 1.00 0.00 C ATOM 102 ND1 HIS A 7 1.296 23.327 -18.488 1.00 0.00 N ATOM 103 CD2 HIS A 7 -0.292 22.031 -19.407 1.00 0.00 C ATOM 104 CE1 HIS A 7 1.821 22.657 -19.528 1.00 0.00 C ATOM 105 NE2 HIS A 7 0.889 21.873 -20.099 1.00 0.00 N ATOM 0 H HIS A 7 0.822 22.014 -15.561 1.00 0.00 H new ATOM 0 HA HIS A 7 -1.874 23.112 -15.444 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -2.047 23.372 -17.853 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.852 24.469 -17.189 1.00 0.00 H new ATOM 0 HD1 HIS A 7 1.774 23.996 -17.884 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.233 21.546 -19.618 1.00 0.00 H new ATOM 0 HE1 HIS A 7 2.846 22.737 -19.859 1.00 0.00 H new ATOM 113 N HIS A 8 -2.766 20.856 -16.005 1.00 0.00 N ATOM 114 CA HIS A 8 -3.324 19.500 -16.138 1.00 0.00 C ATOM 115 C HIS A 8 -4.845 19.537 -16.388 1.00 0.00 C ATOM 116 O HIS A 8 -5.513 20.519 -16.054 1.00 0.00 O ATOM 117 CB HIS A 8 -2.992 18.683 -14.871 1.00 0.00 C ATOM 118 CG HIS A 8 -2.801 17.204 -15.118 1.00 0.00 C ATOM 119 ND1 HIS A 8 -3.667 16.367 -15.829 1.00 0.00 N ATOM 120 CD2 HIS A 8 -1.717 16.473 -14.725 1.00 0.00 C ATOM 121 CE1 HIS A 8 -3.084 15.158 -15.851 1.00 0.00 C ATOM 122 NE2 HIS A 8 -1.910 15.194 -15.197 1.00 0.00 N ATOM 0 H HIS A 8 -3.454 21.542 -15.695 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.870 19.019 -17.004 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.084 19.085 -14.421 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.794 18.818 -14.145 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -0.872 16.829 -14.154 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.499 14.281 -16.326 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.272 14.408 -15.072 1.00 0.00 H new ATOM 130 N HIS A 9 -5.392 18.464 -16.962 1.00 0.00 N ATOM 131 CA HIS A 9 -6.832 18.195 -17.073 1.00 0.00 C ATOM 132 C HIS A 9 -7.078 16.679 -17.165 1.00 0.00 C ATOM 133 O HIS A 9 -6.539 16.012 -18.054 1.00 0.00 O ATOM 134 CB HIS A 9 -7.423 18.918 -18.291 1.00 0.00 C ATOM 135 CG HIS A 9 -8.926 18.781 -18.368 1.00 0.00 C ATOM 136 ND1 HIS A 9 -9.622 17.749 -19.007 1.00 0.00 N ATOM 137 CD2 HIS A 9 -9.827 19.623 -17.782 1.00 0.00 C ATOM 138 CE1 HIS A 9 -10.927 17.997 -18.795 1.00 0.00 C ATOM 139 NE2 HIS A 9 -11.077 19.117 -18.065 1.00 0.00 N ATOM 0 H HIS A 9 -4.824 17.727 -17.380 1.00 0.00 H new ATOM 0 HA HIS A 9 -7.331 18.575 -16.181 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.159 19.975 -18.247 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.977 18.516 -19.201 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -9.604 20.511 -17.209 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -11.739 17.384 -19.159 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -11.965 19.523 -17.771 1.00 0.00 H new ATOM 147 N HIS A 10 -7.878 16.129 -16.242 1.00 0.00 N ATOM 148 CA HIS A 10 -8.182 14.693 -16.160 1.00 0.00 C ATOM 149 C HIS A 10 -9.520 14.409 -15.445 1.00 0.00 C ATOM 150 O HIS A 10 -9.987 15.220 -14.640 1.00 0.00 O ATOM 151 CB HIS A 10 -7.022 13.976 -15.442 1.00 0.00 C ATOM 152 CG HIS A 10 -7.068 12.474 -15.585 1.00 0.00 C ATOM 153 ND1 HIS A 10 -7.446 11.572 -14.588 1.00 0.00 N ATOM 154 CD2 HIS A 10 -6.797 11.781 -16.728 1.00 0.00 C ATOM 155 CE1 HIS A 10 -7.390 10.353 -15.153 1.00 0.00 C ATOM 156 NE2 HIS A 10 -7.004 10.450 -16.437 1.00 0.00 N ATOM 0 H HIS A 10 -8.341 16.679 -15.518 1.00 0.00 H new ATOM 0 HA HIS A 10 -8.290 14.312 -17.176 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.076 14.343 -15.840 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.044 14.234 -14.383 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.482 12.194 -17.675 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.622 9.428 -14.647 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -6.885 9.671 -17.085 1.00 0.00 H new ATOM 164 N GLY A 11 -10.111 13.240 -15.715 1.00 0.00 N ATOM 165 CA GLY A 11 -11.345 12.749 -15.089 1.00 0.00 C ATOM 166 C GLY A 11 -12.644 13.237 -15.751 1.00 0.00 C ATOM 167 O GLY A 11 -12.686 14.284 -16.404 1.00 0.00 O ATOM 0 H GLY A 11 -9.730 12.586 -16.399 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.334 11.659 -15.103 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.351 13.054 -14.043 1.00 0.00 H new ATOM 171 N SER A 12 -13.714 12.455 -15.578 1.00 0.00 N ATOM 172 CA SER A 12 -15.068 12.713 -16.100 1.00 0.00 C ATOM 173 C SER A 12 -16.156 12.039 -15.241 1.00 0.00 C ATOM 174 O SER A 12 -15.856 11.240 -14.348 1.00 0.00 O ATOM 175 CB SER A 12 -15.163 12.235 -17.560 1.00 0.00 C ATOM 176 OG SER A 12 -14.945 10.832 -17.665 1.00 0.00 O ATOM 0 H SER A 12 -13.662 11.585 -15.047 1.00 0.00 H new ATOM 0 HA SER A 12 -15.244 13.788 -16.057 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.146 12.483 -17.962 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.428 12.765 -18.166 1.00 0.00 H new ATOM 0 HG SER A 12 -15.014 10.560 -18.604 1.00 0.00 H new ATOM 182 N GLY A 58 -17.430 12.363 -15.495 1.00 0.00 N ATOM 183 CA GLY A 58 -18.587 11.706 -14.869 1.00 0.00 C ATOM 184 C GLY A 58 -18.615 11.847 -13.341 1.00 0.00 C ATOM 185 O GLY A 58 -18.629 12.959 -12.809 1.00 0.00 O ATOM 0 H GLY A 58 -17.691 13.100 -16.151 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -19.503 12.128 -15.282 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -18.579 10.647 -15.129 1.00 0.00 H new ATOM 189 N ALA A 59 -18.607 10.711 -12.633 1.00 0.00 N ATOM 190 CA ALA A 59 -18.636 10.642 -11.169 1.00 0.00 C ATOM 191 C ALA A 59 -17.320 11.077 -10.478 1.00 0.00 C ATOM 192 O ALA A 59 -17.310 11.266 -9.257 1.00 0.00 O ATOM 193 CB ALA A 59 -19.028 9.211 -10.777 1.00 0.00 C ATOM 0 H ALA A 59 -18.579 9.792 -13.075 1.00 0.00 H new ATOM 0 HA ALA A 59 -19.370 11.365 -10.814 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -19.058 9.127 -9.691 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -20.011 8.978 -11.187 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -18.294 8.511 -11.175 1.00 0.00 H new ATOM 199 N LEU A 60 -16.225 11.259 -11.235 1.00 0.00 N ATOM 200 CA LEU A 60 -14.890 11.618 -10.744 1.00 0.00 C ATOM 201 C LEU A 60 -14.333 10.647 -9.667 1.00 0.00 C ATOM 202 O LEU A 60 -14.750 9.487 -9.587 1.00 0.00 O ATOM 203 CB LEU A 60 -14.886 13.122 -10.362 1.00 0.00 C ATOM 204 CG LEU A 60 -13.775 13.888 -11.101 1.00 0.00 C ATOM 205 CD1 LEU A 60 -14.217 14.278 -12.512 1.00 0.00 C ATOM 206 CD2 LEU A 60 -13.383 15.158 -10.349 1.00 0.00 C ATOM 0 H LEU A 60 -16.251 11.155 -12.249 1.00 0.00 H new ATOM 0 HA LEU A 60 -14.163 11.486 -11.545 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.854 13.562 -10.602 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -14.747 13.225 -9.286 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.917 13.218 -11.158 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.411 14.818 -13.009 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.456 13.379 -13.080 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.099 14.916 -12.454 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.596 15.677 -10.896 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.252 15.810 -10.258 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.021 14.895 -9.355 1.00 0.00 H new ATOM 218 N ALA A 61 -13.335 11.084 -8.886 1.00 0.00 N ATOM 219 CA ALA A 61 -12.660 10.259 -7.881 1.00 0.00 C ATOM 220 C ALA A 61 -13.599 9.736 -6.777 1.00 0.00 C ATOM 221 O ALA A 61 -14.457 10.473 -6.279 1.00 0.00 O ATOM 222 CB ALA A 61 -11.535 11.080 -7.248 1.00 0.00 C ATOM 0 H ALA A 61 -12.971 12.035 -8.938 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.273 9.379 -8.395 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.023 10.478 -6.497 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.825 11.379 -8.019 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.954 11.969 -6.776 1.00 0.00 H new ATOM 228 N ALA A 62 -13.385 8.488 -6.352 1.00 0.00 N ATOM 229 CA ALA A 62 -14.151 7.812 -5.307 1.00 0.00 C ATOM 230 C ALA A 62 -13.412 7.654 -3.966 1.00 0.00 C ATOM 231 O ALA A 62 -12.183 7.646 -3.905 1.00 0.00 O ATOM 232 CB ALA A 62 -14.663 6.472 -5.852 1.00 0.00 C ATOM 0 H ALA A 62 -12.647 7.902 -6.741 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.993 8.457 -5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.236 5.960 -5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.301 6.651 -6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.817 5.852 -6.147 1.00 0.00 H new ATOM 238 N LEU A 63 -14.188 7.509 -2.884 1.00 0.00 N ATOM 239 CA LEU A 63 -13.707 7.393 -1.502 1.00 0.00 C ATOM 240 C LEU A 63 -14.293 6.166 -0.784 1.00 0.00 C ATOM 241 O LEU A 63 -15.446 5.788 -1.007 1.00 0.00 O ATOM 242 CB LEU A 63 -14.069 8.666 -0.708 1.00 0.00 C ATOM 243 CG LEU A 63 -13.482 9.989 -1.233 1.00 0.00 C ATOM 244 CD1 LEU A 63 -13.994 11.150 -0.381 1.00 0.00 C ATOM 245 CD2 LEU A 63 -11.957 10.001 -1.174 1.00 0.00 C ATOM 0 H LEU A 63 -15.205 7.468 -2.950 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.625 7.272 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.155 8.758 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.740 8.531 0.322 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.796 10.091 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.578 12.086 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -15.082 11.189 -0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.688 11.004 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.586 10.953 -1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.632 9.870 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.563 9.188 -1.784 1.00 0.00 H new ATOM 257 N HIS A 64 -13.517 5.595 0.139 1.00 0.00 N ATOM 258 CA HIS A 64 -14.005 4.664 1.164 1.00 0.00 C ATOM 259 C HIS A 64 -14.844 5.414 2.215 1.00 0.00 C ATOM 260 O HIS A 64 -14.495 6.530 2.606 1.00 0.00 O ATOM 261 CB HIS A 64 -12.807 3.987 1.843 1.00 0.00 C ATOM 262 CG HIS A 64 -12.051 3.002 0.991 1.00 0.00 C ATOM 263 ND1 HIS A 64 -12.538 1.768 0.554 1.00 0.00 N ATOM 264 CD2 HIS A 64 -10.738 3.116 0.627 1.00 0.00 C ATOM 265 CE1 HIS A 64 -11.509 1.171 -0.069 1.00 0.00 C ATOM 266 NE2 HIS A 64 -10.419 1.958 -0.049 1.00 0.00 N ATOM 0 H HIS A 64 -12.514 5.768 0.198 1.00 0.00 H new ATOM 0 HA HIS A 64 -14.635 3.910 0.691 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.115 4.761 2.175 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.161 3.472 2.736 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.081 3.949 0.829 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.551 0.192 -0.524 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.513 1.736 -0.462 1.00 0.00 H new ATOM 274 N ALA A 65 -15.928 4.799 2.699 1.00 0.00 N ATOM 275 CA ALA A 65 -16.908 5.457 3.577 1.00 0.00 C ATOM 276 C ALA A 65 -16.856 5.022 5.060 1.00 0.00 C ATOM 277 O ALA A 65 -17.434 5.698 5.912 1.00 0.00 O ATOM 278 CB ALA A 65 -18.298 5.221 2.970 1.00 0.00 C ATOM 0 H ALA A 65 -16.154 3.826 2.493 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.661 6.518 3.617 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.054 5.696 3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.335 5.649 1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.494 4.150 2.914 1.00 0.00 H new ATOM 284 N GLU A 66 -16.185 3.908 5.383 1.00 0.00 N ATOM 285 CA GLU A 66 -16.211 3.269 6.714 1.00 0.00 C ATOM 286 C GLU A 66 -14.827 2.768 7.171 1.00 0.00 C ATOM 287 O GLU A 66 -13.929 2.529 6.358 1.00 0.00 O ATOM 288 CB GLU A 66 -17.216 2.100 6.717 1.00 0.00 C ATOM 289 CG GLU A 66 -18.672 2.539 6.502 1.00 0.00 C ATOM 290 CD GLU A 66 -19.633 1.345 6.654 1.00 0.00 C ATOM 291 OE1 GLU A 66 -19.920 0.652 5.647 1.00 0.00 O ATOM 292 OE2 GLU A 66 -20.120 1.092 7.784 1.00 0.00 O ATOM 0 H GLU A 66 -15.595 3.412 4.715 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.522 4.035 7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.940 1.393 5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.142 1.571 7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -18.932 3.315 7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -18.782 2.976 5.509 1.00 0.00 H new ATOM 299 N GLY A 67 -14.661 2.583 8.489 1.00 0.00 N ATOM 300 CA GLY A 67 -13.435 2.057 9.107 1.00 0.00 C ATOM 301 C GLY A 67 -12.229 3.016 9.046 1.00 0.00 C ATOM 302 O GLY A 67 -12.403 4.211 8.781 1.00 0.00 O ATOM 0 H GLY A 67 -15.390 2.799 9.169 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.642 1.819 10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.166 1.123 8.614 1.00 0.00 H new ATOM 306 N PRO A 68 -10.990 2.521 9.256 1.00 0.00 N ATOM 307 CA PRO A 68 -9.768 3.344 9.214 1.00 0.00 C ATOM 308 C PRO A 68 -9.536 4.045 7.863 1.00 0.00 C ATOM 309 O PRO A 68 -8.865 5.077 7.799 1.00 0.00 O ATOM 310 CB PRO A 68 -8.617 2.375 9.514 1.00 0.00 C ATOM 311 CG PRO A 68 -9.177 0.992 9.192 1.00 0.00 C ATOM 312 CD PRO A 68 -10.653 1.132 9.542 1.00 0.00 C ATOM 0 HA PRO A 68 -9.847 4.156 9.936 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.742 2.599 8.904 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.305 2.442 10.556 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.033 0.732 8.143 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.694 0.213 9.782 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.263 0.450 8.950 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.832 0.892 10.590 1.00 0.00 H new ATOM 320 N LEU A 69 -10.106 3.491 6.788 1.00 0.00 N ATOM 321 CA LEU A 69 -10.037 4.010 5.421 1.00 0.00 C ATOM 322 C LEU A 69 -11.089 5.095 5.118 1.00 0.00 C ATOM 323 O LEU A 69 -11.022 5.705 4.050 1.00 0.00 O ATOM 324 CB LEU A 69 -10.107 2.799 4.462 1.00 0.00 C ATOM 325 CG LEU A 69 -8.749 2.314 3.919 1.00 0.00 C ATOM 326 CD1 LEU A 69 -7.695 2.103 5.006 1.00 0.00 C ATOM 327 CD2 LEU A 69 -8.920 0.974 3.201 1.00 0.00 C ATOM 0 H LEU A 69 -10.651 2.631 6.851 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.094 4.538 5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.589 1.971 4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.745 3.060 3.618 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.407 3.103 3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.766 1.762 4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.519 3.043 5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.048 1.354 5.715 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.955 0.639 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.311 0.234 3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.616 1.092 2.371 1.00 0.00 H new ATOM 339 N ALA A 70 -12.034 5.380 6.022 1.00 0.00 N ATOM 340 CA ALA A 70 -13.065 6.398 5.803 1.00 0.00 C ATOM 341 C ALA A 70 -12.458 7.760 5.400 1.00 0.00 C ATOM 342 O ALA A 70 -11.600 8.307 6.100 1.00 0.00 O ATOM 343 CB ALA A 70 -13.932 6.529 7.060 1.00 0.00 C ATOM 0 H ALA A 70 -12.104 4.911 6.925 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.690 6.077 4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.698 7.286 6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.408 5.572 7.275 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.307 6.822 7.904 1.00 0.00 H new ATOM 349 N GLY A 71 -12.909 8.302 4.263 1.00 0.00 N ATOM 350 CA GLY A 71 -12.418 9.563 3.693 1.00 0.00 C ATOM 351 C GLY A 71 -11.245 9.446 2.721 1.00 0.00 C ATOM 352 O GLY A 71 -10.793 10.474 2.213 1.00 0.00 O ATOM 0 H GLY A 71 -13.641 7.867 3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.244 10.052 3.177 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.122 10.218 4.512 1.00 0.00 H new ATOM 356 N LEU A 72 -10.738 8.237 2.457 1.00 0.00 N ATOM 357 CA LEU A 72 -9.542 8.010 1.633 1.00 0.00 C ATOM 358 C LEU A 72 -9.884 7.431 0.236 1.00 0.00 C ATOM 359 O LEU A 72 -10.902 6.750 0.108 1.00 0.00 O ATOM 360 CB LEU A 72 -8.582 7.103 2.424 1.00 0.00 C ATOM 361 CG LEU A 72 -8.188 7.553 3.846 1.00 0.00 C ATOM 362 CD1 LEU A 72 -7.067 6.646 4.360 1.00 0.00 C ATOM 363 CD2 LEU A 72 -7.701 9.000 3.915 1.00 0.00 C ATOM 0 H LEU A 72 -11.151 7.376 2.814 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.057 8.964 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.036 6.115 2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.668 6.991 1.841 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.087 7.482 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.781 6.955 5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.416 5.614 4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.205 6.722 3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.441 9.248 4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.823 9.119 3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.491 9.667 3.570 1.00 0.00 H new ATOM 375 N PRO A 73 -9.057 7.659 -0.810 1.00 0.00 N ATOM 376 CA PRO A 73 -9.254 7.115 -2.167 1.00 0.00 C ATOM 377 C PRO A 73 -9.399 5.592 -2.191 1.00 0.00 C ATOM 378 O PRO A 73 -8.709 4.884 -1.457 1.00 0.00 O ATOM 379 CB PRO A 73 -8.025 7.548 -2.978 1.00 0.00 C ATOM 380 CG PRO A 73 -6.967 7.806 -1.911 1.00 0.00 C ATOM 381 CD PRO A 73 -7.789 8.376 -0.766 1.00 0.00 C ATOM 0 HA PRO A 73 -10.186 7.497 -2.584 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.711 6.772 -3.675 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.228 8.443 -3.567 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.449 6.891 -1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.207 8.508 -2.254 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.287 8.229 0.190 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.939 9.449 -0.885 1.00 0.00 H new ATOM 389 N VAL A 74 -10.249 5.083 -3.084 1.00 0.00 N ATOM 390 CA VAL A 74 -10.369 3.636 -3.332 1.00 0.00 C ATOM 391 C VAL A 74 -9.256 3.147 -4.269 1.00 0.00 C ATOM 392 O VAL A 74 -8.755 2.036 -4.091 1.00 0.00 O ATOM 393 CB VAL A 74 -11.775 3.259 -3.847 1.00 0.00 C ATOM 394 CG1 VAL A 74 -11.959 1.741 -3.939 1.00 0.00 C ATOM 395 CG2 VAL A 74 -12.874 3.784 -2.914 1.00 0.00 C ATOM 0 H VAL A 74 -10.872 5.654 -3.655 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.241 3.121 -2.380 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.858 3.712 -4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -12.961 1.517 -4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.221 1.326 -4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.826 1.298 -2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.851 3.501 -3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.744 3.355 -1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.809 4.870 -2.851 1.00 0.00 H new ATOM 405 N THR A 75 -8.825 3.978 -5.228 1.00 0.00 N ATOM 406 CA THR A 75 -7.837 3.624 -6.268 1.00 0.00 C ATOM 407 C THR A 75 -6.711 4.656 -6.412 1.00 0.00 C ATOM 408 O THR A 75 -6.811 5.789 -5.936 1.00 0.00 O ATOM 409 CB THR A 75 -8.523 3.392 -7.633 1.00 0.00 C ATOM 410 OG1 THR A 75 -8.734 4.627 -8.285 1.00 0.00 O ATOM 411 CG2 THR A 75 -9.867 2.672 -7.530 1.00 0.00 C ATOM 0 H THR A 75 -9.159 4.939 -5.308 1.00 0.00 H new ATOM 0 HA THR A 75 -7.375 2.695 -5.935 1.00 0.00 H new ATOM 0 HB THR A 75 -7.846 2.752 -8.199 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.168 4.470 -9.150 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.289 2.544 -8.527 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.722 1.695 -7.070 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.550 3.263 -6.920 1.00 0.00 H new ATOM 419 N ARG A 76 -5.622 4.283 -7.113 1.00 0.00 N ATOM 420 CA ARG A 76 -4.520 5.221 -7.428 1.00 0.00 C ATOM 421 C ARG A 76 -5.013 6.373 -8.314 1.00 0.00 C ATOM 422 O ARG A 76 -4.617 7.516 -8.105 1.00 0.00 O ATOM 423 CB ARG A 76 -3.325 4.499 -8.093 1.00 0.00 C ATOM 424 CG ARG A 76 -2.594 3.463 -7.211 1.00 0.00 C ATOM 425 CD ARG A 76 -3.119 2.028 -7.376 1.00 0.00 C ATOM 426 NE ARG A 76 -2.286 1.039 -6.657 1.00 0.00 N ATOM 427 CZ ARG A 76 -2.371 -0.277 -6.745 1.00 0.00 C ATOM 428 NH1 ARG A 76 -3.257 -0.880 -7.492 1.00 0.00 N ATOM 429 NH2 ARG A 76 -1.550 -1.023 -6.073 1.00 0.00 N ATOM 0 H ARG A 76 -5.480 3.339 -7.473 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.172 5.637 -6.483 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.682 3.996 -8.992 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.603 5.250 -8.414 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.531 3.481 -7.451 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.690 3.757 -6.166 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.143 1.974 -7.007 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.148 1.774 -8.436 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.573 1.411 -6.029 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.921 -0.332 -8.039 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.285 -1.899 -7.528 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.841 -0.594 -5.478 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.613 -2.039 -6.139 1.00 0.00 H new ATOM 443 N SER A 77 -5.949 6.094 -9.223 1.00 0.00 N ATOM 444 CA SER A 77 -6.619 7.105 -10.056 1.00 0.00 C ATOM 445 C SER A 77 -7.470 8.062 -9.218 1.00 0.00 C ATOM 446 O SER A 77 -7.391 9.272 -9.425 1.00 0.00 O ATOM 447 CB SER A 77 -7.485 6.435 -11.130 1.00 0.00 C ATOM 448 OG SER A 77 -6.698 5.546 -11.911 1.00 0.00 O ATOM 0 H SER A 77 -6.271 5.144 -9.407 1.00 0.00 H new ATOM 0 HA SER A 77 -5.838 7.690 -10.541 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.304 5.890 -10.660 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.934 7.194 -11.771 1.00 0.00 H new ATOM 0 HG SER A 77 -7.261 5.123 -12.592 1.00 0.00 H new ATOM 454 N ASP A 78 -8.208 7.565 -8.213 1.00 0.00 N ATOM 455 CA ASP A 78 -8.937 8.441 -7.284 1.00 0.00 C ATOM 456 C ASP A 78 -7.964 9.350 -6.530 1.00 0.00 C ATOM 457 O ASP A 78 -8.176 10.554 -6.475 1.00 0.00 O ATOM 458 CB ASP A 78 -9.769 7.666 -6.251 1.00 0.00 C ATOM 459 CG ASP A 78 -10.794 6.696 -6.835 1.00 0.00 C ATOM 460 OD1 ASP A 78 -11.436 7.024 -7.863 1.00 0.00 O ATOM 461 OD2 ASP A 78 -11.024 5.660 -6.175 1.00 0.00 O ATOM 0 H ASP A 78 -8.315 6.568 -8.024 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.619 9.026 -7.901 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.090 7.107 -5.607 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.291 8.383 -5.618 1.00 0.00 H new ATOM 466 N ALA A 79 -6.865 8.801 -6.004 1.00 0.00 N ATOM 467 CA ALA A 79 -5.853 9.567 -5.274 1.00 0.00 C ATOM 468 C ALA A 79 -5.211 10.673 -6.139 1.00 0.00 C ATOM 469 O ALA A 79 -5.132 11.832 -5.727 1.00 0.00 O ATOM 470 CB ALA A 79 -4.809 8.571 -4.757 1.00 0.00 C ATOM 0 H ALA A 79 -6.652 7.806 -6.074 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.321 10.093 -4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.036 9.107 -4.206 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.290 7.849 -4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.357 8.048 -5.599 1.00 0.00 H new ATOM 476 N ARG A 80 -4.816 10.335 -7.372 1.00 0.00 N ATOM 477 CA ARG A 80 -4.235 11.259 -8.364 1.00 0.00 C ATOM 478 C ARG A 80 -5.208 12.382 -8.746 1.00 0.00 C ATOM 479 O ARG A 80 -4.814 13.547 -8.768 1.00 0.00 O ATOM 480 CB ARG A 80 -3.778 10.396 -9.557 1.00 0.00 C ATOM 481 CG ARG A 80 -3.004 11.155 -10.644 1.00 0.00 C ATOM 482 CD ARG A 80 -2.398 10.156 -11.637 1.00 0.00 C ATOM 483 NE ARG A 80 -1.847 10.820 -12.836 1.00 0.00 N ATOM 484 CZ ARG A 80 -0.583 11.109 -13.100 1.00 0.00 C ATOM 485 NH1 ARG A 80 0.363 11.052 -12.206 1.00 0.00 N ATOM 486 NH2 ARG A 80 -0.242 11.469 -14.304 1.00 0.00 N ATOM 0 H ARG A 80 -4.893 9.380 -7.722 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.377 11.792 -7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.151 9.587 -9.182 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.655 9.935 -10.011 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.670 11.843 -11.165 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.216 11.756 -10.191 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.608 9.590 -11.143 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.162 9.440 -11.940 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.525 11.089 -13.549 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.144 10.774 -11.249 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.322 11.285 -12.463 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.948 11.527 -15.038 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.731 11.693 -14.513 1.00 0.00 H new ATOM 500 N VAL A 81 -6.488 12.062 -8.950 1.00 0.00 N ATOM 501 CA VAL A 81 -7.539 13.054 -9.247 1.00 0.00 C ATOM 502 C VAL A 81 -7.936 13.876 -8.012 1.00 0.00 C ATOM 503 O VAL A 81 -8.183 15.071 -8.157 1.00 0.00 O ATOM 504 CB VAL A 81 -8.755 12.374 -9.905 1.00 0.00 C ATOM 505 CG1 VAL A 81 -9.968 13.304 -10.056 1.00 0.00 C ATOM 506 CG2 VAL A 81 -8.411 11.886 -11.316 1.00 0.00 C ATOM 0 H VAL A 81 -6.833 11.103 -8.915 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.126 13.767 -9.960 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.008 11.551 -9.236 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.787 12.760 -10.526 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.282 13.655 -9.073 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.697 14.158 -10.676 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.285 11.410 -11.759 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.109 12.734 -11.931 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.594 11.167 -11.263 1.00 0.00 H new ATOM 516 N LEU A 82 -7.939 13.317 -6.797 1.00 0.00 N ATOM 517 CA LEU A 82 -8.162 14.095 -5.569 1.00 0.00 C ATOM 518 C LEU A 82 -7.053 15.140 -5.361 1.00 0.00 C ATOM 519 O LEU A 82 -7.362 16.304 -5.108 1.00 0.00 O ATOM 520 CB LEU A 82 -8.271 13.147 -4.360 1.00 0.00 C ATOM 521 CG LEU A 82 -9.601 12.370 -4.305 1.00 0.00 C ATOM 522 CD1 LEU A 82 -9.452 11.168 -3.381 1.00 0.00 C ATOM 523 CD2 LEU A 82 -10.767 13.224 -3.805 1.00 0.00 C ATOM 0 H LEU A 82 -7.788 12.321 -6.635 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.101 14.639 -5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.445 12.436 -4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.160 13.726 -3.443 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.826 12.059 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.393 10.619 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.666 10.514 -3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.190 11.509 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.677 12.624 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.550 13.583 -2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.907 14.075 -4.472 1.00 0.00 H new ATOM 535 N ILE A 83 -5.783 14.764 -5.561 1.00 0.00 N ATOM 536 CA ILE A 83 -4.661 15.719 -5.535 1.00 0.00 C ATOM 537 C ILE A 83 -4.811 16.769 -6.649 1.00 0.00 C ATOM 538 O ILE A 83 -4.621 17.956 -6.386 1.00 0.00 O ATOM 539 CB ILE A 83 -3.296 14.994 -5.617 1.00 0.00 C ATOM 540 CG1 ILE A 83 -3.062 14.139 -4.346 1.00 0.00 C ATOM 541 CG2 ILE A 83 -2.163 16.030 -5.782 1.00 0.00 C ATOM 542 CD1 ILE A 83 -1.919 13.121 -4.472 1.00 0.00 C ATOM 0 H ILE A 83 -5.503 13.800 -5.744 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.689 16.241 -4.579 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.299 14.331 -6.482 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.850 14.804 -3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.982 13.607 -4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.204 15.515 -5.839 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.323 16.602 -6.696 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.161 16.706 -4.927 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.823 12.565 -3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.136 12.429 -5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.986 13.645 -4.680 1.00 0.00 H new ATOM 554 N PHE A 84 -5.193 16.365 -7.868 1.00 0.00 N ATOM 555 CA PHE A 84 -5.451 17.312 -8.957 1.00 0.00 C ATOM 556 C PHE A 84 -6.538 18.337 -8.590 1.00 0.00 C ATOM 557 O PHE A 84 -6.291 19.538 -8.682 1.00 0.00 O ATOM 558 CB PHE A 84 -5.836 16.571 -10.247 1.00 0.00 C ATOM 559 CG PHE A 84 -6.274 17.476 -11.393 1.00 0.00 C ATOM 560 CD1 PHE A 84 -5.624 18.704 -11.630 1.00 0.00 C ATOM 561 CD2 PHE A 84 -7.385 17.121 -12.183 1.00 0.00 C ATOM 562 CE1 PHE A 84 -6.063 19.559 -12.652 1.00 0.00 C ATOM 563 CE2 PHE A 84 -7.837 17.985 -13.197 1.00 0.00 C ATOM 564 CZ PHE A 84 -7.171 19.201 -13.434 1.00 0.00 C ATOM 0 H PHE A 84 -5.330 15.387 -8.123 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.524 17.860 -9.125 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.984 15.976 -10.577 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.644 15.874 -10.023 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.780 18.989 -11.019 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -7.891 16.183 -12.010 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.549 20.491 -12.836 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.696 17.715 -13.794 1.00 0.00 H new ATOM 0 HZ PHE A 84 -7.513 19.860 -14.219 1.00 0.00 H new ATOM 574 N ASN A 85 -7.717 17.891 -8.141 1.00 0.00 N ATOM 575 CA ASN A 85 -8.813 18.793 -7.790 1.00 0.00 C ATOM 576 C ASN A 85 -8.448 19.718 -6.612 1.00 0.00 C ATOM 577 O ASN A 85 -8.758 20.911 -6.649 1.00 0.00 O ATOM 578 CB ASN A 85 -10.075 17.967 -7.492 1.00 0.00 C ATOM 579 CG ASN A 85 -11.220 18.884 -7.085 1.00 0.00 C ATOM 580 OD1 ASN A 85 -11.911 19.454 -7.916 1.00 0.00 O ATOM 581 ND2 ASN A 85 -11.419 19.097 -5.804 1.00 0.00 N ATOM 0 H ASN A 85 -7.934 16.903 -8.013 1.00 0.00 H new ATOM 0 HA ASN A 85 -9.009 19.448 -8.639 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.357 17.390 -8.373 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.871 17.252 -6.695 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.151 19.739 -5.502 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -10.841 18.620 -5.112 1.00 0.00 H new ATOM 588 N GLU A 86 -7.768 19.184 -5.588 1.00 0.00 N ATOM 589 CA GLU A 86 -7.270 19.977 -4.461 1.00 0.00 C ATOM 590 C GLU A 86 -6.311 21.074 -4.940 1.00 0.00 C ATOM 591 O GLU A 86 -6.543 22.247 -4.639 1.00 0.00 O ATOM 592 CB GLU A 86 -6.609 19.056 -3.424 1.00 0.00 C ATOM 593 CG GLU A 86 -6.135 19.825 -2.186 1.00 0.00 C ATOM 594 CD GLU A 86 -5.576 18.858 -1.125 1.00 0.00 C ATOM 595 OE1 GLU A 86 -4.371 18.510 -1.190 1.00 0.00 O ATOM 596 OE2 GLU A 86 -6.334 18.445 -0.214 1.00 0.00 O ATOM 0 H GLU A 86 -7.549 18.190 -5.520 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.112 20.478 -3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.317 18.285 -3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.760 18.547 -3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.367 20.544 -2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.964 20.394 -1.766 1.00 0.00 H new ATOM 603 N TRP A 87 -5.293 20.730 -5.744 1.00 0.00 N ATOM 604 CA TRP A 87 -4.441 21.722 -6.392 1.00 0.00 C ATOM 605 C TRP A 87 -5.255 22.735 -7.196 1.00 0.00 C ATOM 606 O TRP A 87 -4.994 23.920 -7.061 1.00 0.00 O ATOM 607 CB TRP A 87 -3.409 21.055 -7.305 1.00 0.00 C ATOM 608 CG TRP A 87 -2.639 22.036 -8.141 1.00 0.00 C ATOM 609 CD1 TRP A 87 -1.559 22.732 -7.722 1.00 0.00 C ATOM 610 CD2 TRP A 87 -2.930 22.524 -9.491 1.00 0.00 C ATOM 611 NE1 TRP A 87 -1.139 23.591 -8.719 1.00 0.00 N ATOM 612 CE2 TRP A 87 -1.931 23.482 -9.843 1.00 0.00 C ATOM 613 CE3 TRP A 87 -3.943 22.279 -10.448 1.00 0.00 C ATOM 614 CZ2 TRP A 87 -1.904 24.120 -11.089 1.00 0.00 C ATOM 615 CZ3 TRP A 87 -3.942 22.938 -11.692 1.00 0.00 C ATOM 616 CH2 TRP A 87 -2.923 23.851 -12.016 1.00 0.00 C ATOM 0 H TRP A 87 -5.044 19.764 -5.958 1.00 0.00 H new ATOM 0 HA TRP A 87 -3.921 22.254 -5.595 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.712 20.480 -6.696 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.917 20.348 -7.961 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -1.094 22.632 -6.753 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -0.344 24.225 -8.635 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.730 21.575 -10.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -1.110 24.810 -11.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -4.730 22.741 -12.403 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -2.924 24.345 -12.977 1.00 0.00 H new ATOM 627 N GLU A 88 -6.239 22.318 -7.994 1.00 0.00 N ATOM 628 CA GLU A 88 -6.966 23.224 -8.886 1.00 0.00 C ATOM 629 C GLU A 88 -7.760 24.292 -8.110 1.00 0.00 C ATOM 630 O GLU A 88 -7.661 25.485 -8.409 1.00 0.00 O ATOM 631 CB GLU A 88 -7.887 22.415 -9.817 1.00 0.00 C ATOM 632 CG GLU A 88 -8.093 23.141 -11.151 1.00 0.00 C ATOM 633 CD GLU A 88 -9.383 22.699 -11.878 1.00 0.00 C ATOM 634 OE1 GLU A 88 -9.708 21.487 -11.908 1.00 0.00 O ATOM 635 OE2 GLU A 88 -10.083 23.577 -12.439 1.00 0.00 O ATOM 0 H GLU A 88 -6.554 21.349 -8.041 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.233 23.759 -9.489 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.454 21.431 -9.997 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.850 22.256 -9.333 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.131 24.216 -10.973 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.235 22.955 -11.797 1.00 0.00 H new ATOM 642 N GLU A 89 -8.501 23.892 -7.069 1.00 0.00 N ATOM 643 CA GLU A 89 -9.234 24.830 -6.209 1.00 0.00 C ATOM 644 C GLU A 89 -8.282 25.746 -5.416 1.00 0.00 C ATOM 645 O GLU A 89 -8.487 26.965 -5.367 1.00 0.00 O ATOM 646 CB GLU A 89 -10.177 24.063 -5.263 1.00 0.00 C ATOM 647 CG GLU A 89 -11.353 23.421 -6.012 1.00 0.00 C ATOM 648 CD GLU A 89 -12.379 22.807 -5.037 1.00 0.00 C ATOM 649 OE1 GLU A 89 -13.100 23.574 -4.350 1.00 0.00 O ATOM 650 OE2 GLU A 89 -12.498 21.558 -4.962 1.00 0.00 O ATOM 0 H GLU A 89 -8.609 22.914 -6.800 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.833 25.473 -6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.615 23.289 -4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.561 24.745 -4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.843 24.171 -6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.979 22.647 -6.683 1.00 0.00 H new ATOM 657 N ARG A 90 -7.192 25.191 -4.860 1.00 0.00 N ATOM 658 CA ARG A 90 -6.160 25.989 -4.171 1.00 0.00 C ATOM 659 C ARG A 90 -5.528 27.001 -5.113 1.00 0.00 C ATOM 660 O ARG A 90 -5.489 28.177 -4.787 1.00 0.00 O ATOM 661 CB ARG A 90 -5.059 25.085 -3.610 1.00 0.00 C ATOM 662 CG ARG A 90 -5.519 24.146 -2.496 1.00 0.00 C ATOM 663 CD ARG A 90 -5.365 24.702 -1.071 1.00 0.00 C ATOM 664 NE ARG A 90 -6.264 25.848 -0.816 1.00 0.00 N ATOM 665 CZ ARG A 90 -5.948 27.132 -0.765 1.00 0.00 C ATOM 666 NH1 ARG A 90 -4.740 27.579 -0.911 1.00 0.00 N ATOM 667 NH2 ARG A 90 -6.847 28.050 -0.589 1.00 0.00 N ATOM 0 H ARG A 90 -7.001 24.189 -4.874 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.653 26.517 -3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.646 24.489 -4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.251 25.710 -3.231 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.567 23.897 -2.661 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.955 23.216 -2.570 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.574 23.911 -0.350 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.332 25.011 -0.914 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.246 25.621 -0.661 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.972 26.928 -1.075 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.558 28.581 -0.862 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.828 27.790 -0.486 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.573 29.032 -0.554 1.00 0.00 H new ATOM 681 N LYS A 91 -5.093 26.554 -6.290 1.00 0.00 N ATOM 682 CA LYS A 91 -4.493 27.376 -7.364 1.00 0.00 C ATOM 683 C LYS A 91 -5.409 28.535 -7.782 1.00 0.00 C ATOM 684 O LYS A 91 -4.926 29.654 -7.960 1.00 0.00 O ATOM 685 CB LYS A 91 -4.136 26.488 -8.578 1.00 0.00 C ATOM 686 CG LYS A 91 -3.262 27.170 -9.644 1.00 0.00 C ATOM 687 CD LYS A 91 -1.834 27.421 -9.134 1.00 0.00 C ATOM 688 CE LYS A 91 -0.862 27.747 -10.280 1.00 0.00 C ATOM 689 NZ LYS A 91 0.535 27.889 -9.773 1.00 0.00 N ATOM 0 H LYS A 91 -5.147 25.567 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.579 27.821 -6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.618 25.598 -8.219 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.060 26.151 -9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.225 26.546 -10.537 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.716 28.117 -9.935 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.843 28.245 -8.421 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.480 26.540 -8.598 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.902 26.958 -11.031 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.170 28.670 -10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.197 27.889 -10.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.625 28.783 -9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.757 27.094 -9.140 1.00 0.00 H new ATOM 703 N LYS A 92 -6.725 28.295 -7.884 1.00 0.00 N ATOM 704 CA LYS A 92 -7.732 29.349 -8.133 1.00 0.00 C ATOM 705 C LYS A 92 -7.831 30.361 -6.977 1.00 0.00 C ATOM 706 O LYS A 92 -7.930 31.560 -7.242 1.00 0.00 O ATOM 707 CB LYS A 92 -9.098 28.711 -8.432 1.00 0.00 C ATOM 708 CG LYS A 92 -9.150 28.112 -9.848 1.00 0.00 C ATOM 709 CD LYS A 92 -10.451 27.322 -10.058 1.00 0.00 C ATOM 710 CE LYS A 92 -10.521 26.657 -11.442 1.00 0.00 C ATOM 711 NZ LYS A 92 -10.726 27.636 -12.549 1.00 0.00 N ATOM 0 H LYS A 92 -7.127 27.362 -7.796 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.405 29.915 -9.005 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.303 27.931 -7.699 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -9.881 29.462 -8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -9.080 28.909 -10.588 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.292 27.457 -10.003 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -10.536 26.557 -9.286 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -11.302 27.992 -9.937 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.599 26.103 -11.620 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -11.335 25.932 -11.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -10.765 27.130 -13.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -11.619 28.148 -12.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -9.937 28.313 -12.564 1.00 0.00 H new ATOM 725 N SER A 93 -7.765 29.913 -5.720 1.00 0.00 N ATOM 726 CA SER A 93 -7.810 30.806 -4.540 1.00 0.00 C ATOM 727 C SER A 93 -6.477 31.497 -4.182 1.00 0.00 C ATOM 728 O SER A 93 -6.485 32.597 -3.628 1.00 0.00 O ATOM 729 CB SER A 93 -8.310 30.027 -3.318 1.00 0.00 C ATOM 730 OG SER A 93 -9.662 29.623 -3.511 1.00 0.00 O ATOM 0 H SER A 93 -7.679 28.925 -5.483 1.00 0.00 H new ATOM 0 HA SER A 93 -8.495 31.606 -4.820 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.681 29.152 -3.154 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.232 30.648 -2.425 1.00 0.00 H new ATOM 0 HG SER A 93 -9.970 29.125 -2.725 1.00 0.00 H new ATOM 736 N ASP A 94 -5.333 30.873 -4.485 1.00 0.00 N ATOM 737 CA ASP A 94 -3.971 31.233 -4.085 1.00 0.00 C ATOM 738 C ASP A 94 -2.974 30.752 -5.173 1.00 0.00 C ATOM 739 O ASP A 94 -2.755 29.546 -5.331 1.00 0.00 O ATOM 740 CB ASP A 94 -3.611 30.575 -2.740 1.00 0.00 C ATOM 741 CG ASP A 94 -4.433 31.101 -1.554 1.00 0.00 C ATOM 742 OD1 ASP A 94 -4.222 32.265 -1.134 1.00 0.00 O ATOM 743 OD2 ASP A 94 -5.237 30.314 -0.991 1.00 0.00 O ATOM 0 H ASP A 94 -5.338 30.034 -5.065 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.912 32.316 -3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.757 29.498 -2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.553 30.739 -2.538 1.00 0.00 H new ATOM 748 N PRO A 95 -2.344 31.659 -5.941 1.00 0.00 N ATOM 749 CA PRO A 95 -1.701 31.338 -7.225 1.00 0.00 C ATOM 750 C PRO A 95 -0.357 30.595 -7.142 1.00 0.00 C ATOM 751 O PRO A 95 0.131 30.109 -8.160 1.00 0.00 O ATOM 752 CB PRO A 95 -1.546 32.694 -7.931 1.00 0.00 C ATOM 753 CG PRO A 95 -1.450 33.678 -6.767 1.00 0.00 C ATOM 754 CD PRO A 95 -2.456 33.096 -5.784 1.00 0.00 C ATOM 0 HA PRO A 95 -2.323 30.624 -7.765 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.655 32.723 -8.558 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.397 32.913 -8.576 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.445 33.718 -6.348 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.711 34.693 -7.067 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.231 33.400 -4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.467 33.440 -6.004 1.00 0.00 H new ATOM 762 N TRP A 96 0.268 30.484 -5.968 1.00 0.00 N ATOM 763 CA TRP A 96 1.644 29.971 -5.831 1.00 0.00 C ATOM 764 C TRP A 96 1.802 28.442 -5.947 1.00 0.00 C ATOM 765 O TRP A 96 2.912 27.970 -6.192 1.00 0.00 O ATOM 766 CB TRP A 96 2.223 30.449 -4.492 1.00 0.00 C ATOM 767 CG TRP A 96 1.746 29.693 -3.288 1.00 0.00 C ATOM 768 CD1 TRP A 96 0.492 29.734 -2.784 1.00 0.00 C ATOM 769 CD2 TRP A 96 2.478 28.740 -2.455 1.00 0.00 C ATOM 770 NE1 TRP A 96 0.401 28.900 -1.687 1.00 0.00 N ATOM 771 CE2 TRP A 96 1.596 28.259 -1.439 1.00 0.00 C ATOM 772 CE3 TRP A 96 3.794 28.221 -2.461 1.00 0.00 C ATOM 773 CZ2 TRP A 96 2.000 27.328 -0.471 1.00 0.00 C ATOM 774 CZ3 TRP A 96 4.210 27.286 -1.492 1.00 0.00 C ATOM 775 CH2 TRP A 96 3.318 26.841 -0.497 1.00 0.00 C ATOM 0 H TRP A 96 -0.161 30.746 -5.081 1.00 0.00 H new ATOM 0 HA TRP A 96 2.192 30.373 -6.683 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.310 30.380 -4.538 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.976 31.503 -4.362 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.317 30.330 -3.180 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -0.444 28.774 -1.130 1.00 0.00 H new ATOM 0 HE3 TRP A 96 4.490 28.546 -3.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.307 26.990 0.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 5.221 26.908 -1.513 1.00 0.00 H new ATOM 0 HH2 TRP A 96 3.646 26.127 0.244 1.00 0.00 H new ATOM 786 N LEU A 97 0.733 27.651 -5.756 1.00 0.00 N ATOM 787 CA LEU A 97 0.850 26.203 -5.527 1.00 0.00 C ATOM 788 C LEU A 97 1.250 25.410 -6.793 1.00 0.00 C ATOM 789 O LEU A 97 0.811 25.743 -7.897 1.00 0.00 O ATOM 790 CB LEU A 97 -0.478 25.698 -4.924 1.00 0.00 C ATOM 791 CG LEU A 97 -0.420 24.293 -4.291 1.00 0.00 C ATOM 792 CD1 LEU A 97 0.461 24.246 -3.040 1.00 0.00 C ATOM 793 CD2 LEU A 97 -1.831 23.878 -3.893 1.00 0.00 C ATOM 0 H LEU A 97 -0.228 27.994 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 97 1.667 26.030 -4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.807 26.408 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.236 25.695 -5.707 1.00 0.00 H new ATOM 0 HG LEU A 97 0.010 23.619 -5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.466 23.234 -2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.479 24.537 -3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.067 24.934 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.805 22.885 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.231 24.592 -3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.468 23.859 -4.777 1.00 0.00 H new ATOM 805 N ARG A 98 1.995 24.306 -6.647 1.00 0.00 N ATOM 806 CA ARG A 98 2.344 23.361 -7.737 1.00 0.00 C ATOM 807 C ARG A 98 1.703 21.970 -7.531 1.00 0.00 C ATOM 808 O ARG A 98 1.459 21.559 -6.398 1.00 0.00 O ATOM 809 CB ARG A 98 3.880 23.291 -7.879 1.00 0.00 C ATOM 810 CG ARG A 98 4.299 23.109 -9.346 1.00 0.00 C ATOM 811 CD ARG A 98 5.819 23.047 -9.525 1.00 0.00 C ATOM 812 NE ARG A 98 6.172 23.167 -10.956 1.00 0.00 N ATOM 813 CZ ARG A 98 7.342 22.947 -11.522 1.00 0.00 C ATOM 814 NH1 ARG A 98 8.385 22.558 -10.843 1.00 0.00 N ATOM 815 NH2 ARG A 98 7.477 23.126 -12.804 1.00 0.00 N ATOM 0 H ARG A 98 2.386 24.031 -5.746 1.00 0.00 H new ATOM 0 HA ARG A 98 1.928 23.734 -8.673 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.326 24.203 -7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.265 22.463 -7.284 1.00 0.00 H new ATOM 0 HG2 ARG A 98 3.854 22.193 -9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.901 23.933 -9.938 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.292 23.849 -8.958 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.201 22.107 -9.127 1.00 0.00 H new ATOM 0 HE ARG A 98 5.419 23.455 -11.581 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.313 22.413 -9.836 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.273 22.399 -11.319 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.681 23.434 -13.363 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.379 22.958 -13.250 1.00 0.00 H new ATOM 829 N LEU A 99 1.403 21.275 -8.633 1.00 0.00 N ATOM 830 CA LEU A 99 0.701 19.982 -8.666 1.00 0.00 C ATOM 831 C LEU A 99 1.735 18.827 -8.694 1.00 0.00 C ATOM 832 O LEU A 99 2.542 18.748 -9.622 1.00 0.00 O ATOM 833 CB LEU A 99 -0.225 19.994 -9.907 1.00 0.00 C ATOM 834 CG LEU A 99 -1.433 19.036 -9.952 1.00 0.00 C ATOM 835 CD1 LEU A 99 -2.038 19.049 -11.357 1.00 0.00 C ATOM 836 CD2 LEU A 99 -1.078 17.608 -9.622 1.00 0.00 C ATOM 0 H LEU A 99 1.651 21.608 -9.564 1.00 0.00 H new ATOM 0 HA LEU A 99 0.092 19.824 -7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.606 21.009 -10.023 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.393 19.784 -10.780 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.134 19.393 -9.198 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.892 18.373 -11.392 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.365 20.059 -11.603 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.289 18.724 -12.079 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.974 16.989 -9.672 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.343 17.241 -10.338 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.660 17.560 -8.616 1.00 0.00 H new ATOM 848 N ASP A 100 1.707 17.919 -7.706 1.00 0.00 N ATOM 849 CA ASP A 100 2.606 16.751 -7.627 1.00 0.00 C ATOM 850 C ASP A 100 1.855 15.473 -7.195 1.00 0.00 C ATOM 851 O ASP A 100 1.387 15.372 -6.059 1.00 0.00 O ATOM 852 CB ASP A 100 3.768 17.047 -6.661 1.00 0.00 C ATOM 853 CG ASP A 100 4.778 18.048 -7.249 1.00 0.00 C ATOM 854 OD1 ASP A 100 5.624 17.629 -8.075 1.00 0.00 O ATOM 855 OD2 ASP A 100 4.763 19.239 -6.853 1.00 0.00 O ATOM 0 H ASP A 100 1.051 17.974 -6.927 1.00 0.00 H new ATOM 0 HA ASP A 100 3.004 16.569 -8.625 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.369 17.443 -5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.282 16.117 -6.419 1.00 0.00 H new ATOM 860 N MET A 101 1.732 14.494 -8.103 1.00 0.00 N ATOM 861 CA MET A 101 0.993 13.229 -7.888 1.00 0.00 C ATOM 862 C MET A 101 1.578 12.047 -8.678 1.00 0.00 C ATOM 863 O MET A 101 0.879 11.308 -9.375 1.00 0.00 O ATOM 864 CB MET A 101 -0.533 13.423 -8.061 1.00 0.00 C ATOM 865 CG MET A 101 -0.994 14.445 -9.097 1.00 0.00 C ATOM 866 SD MET A 101 -0.748 14.016 -10.840 1.00 0.00 S ATOM 867 CE MET A 101 -2.265 14.726 -11.542 1.00 0.00 C ATOM 0 H MET A 101 2.151 14.556 -9.031 1.00 0.00 H new ATOM 0 HA MET A 101 1.137 12.944 -6.846 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.969 12.458 -8.321 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.949 13.710 -7.095 1.00 0.00 H new ATOM 0 HG2 MET A 101 -2.057 14.631 -8.940 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.474 15.383 -8.902 1.00 0.00 H new ATOM 0 HE1 MET A 101 -2.448 14.294 -12.526 1.00 0.00 H new ATOM 0 HE2 MET A 101 -3.107 14.505 -10.886 1.00 0.00 H new ATOM 0 HE3 MET A 101 -2.152 15.806 -11.636 1.00 0.00 H new ATOM 877 N SER A 102 2.891 11.851 -8.523 1.00 0.00 N ATOM 878 CA SER A 102 3.562 10.580 -8.834 1.00 0.00 C ATOM 879 C SER A 102 3.096 9.471 -7.879 1.00 0.00 C ATOM 880 O SER A 102 2.659 9.741 -6.758 1.00 0.00 O ATOM 881 CB SER A 102 5.083 10.777 -8.758 1.00 0.00 C ATOM 882 OG SER A 102 5.771 9.585 -9.111 1.00 0.00 O ATOM 0 H SER A 102 3.524 12.572 -8.177 1.00 0.00 H new ATOM 0 HA SER A 102 3.298 10.270 -9.845 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.382 11.585 -9.426 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.364 11.078 -7.749 1.00 0.00 H new ATOM 0 HG SER A 102 6.738 9.737 -9.056 1.00 0.00 H new ATOM 888 N ASP A 103 3.229 8.209 -8.284 1.00 0.00 N ATOM 889 CA ASP A 103 2.812 7.041 -7.495 1.00 0.00 C ATOM 890 C ASP A 103 3.403 7.054 -6.073 1.00 0.00 C ATOM 891 O ASP A 103 2.699 6.764 -5.108 1.00 0.00 O ATOM 892 CB ASP A 103 3.222 5.766 -8.241 1.00 0.00 C ATOM 893 CG ASP A 103 2.502 5.640 -9.595 1.00 0.00 C ATOM 894 OD1 ASP A 103 1.321 5.218 -9.619 1.00 0.00 O ATOM 895 OD2 ASP A 103 3.120 5.957 -10.640 1.00 0.00 O ATOM 0 H ASP A 103 3.636 7.960 -9.185 1.00 0.00 H new ATOM 0 HA ASP A 103 1.729 7.074 -7.379 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.300 5.770 -8.402 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.994 4.896 -7.626 1.00 0.00 H new ATOM 900 N LYS A 104 4.653 7.517 -5.916 1.00 0.00 N ATOM 901 CA LYS A 104 5.302 7.698 -4.605 1.00 0.00 C ATOM 902 C LYS A 104 4.592 8.748 -3.738 1.00 0.00 C ATOM 903 O LYS A 104 4.444 8.532 -2.536 1.00 0.00 O ATOM 904 CB LYS A 104 6.791 8.063 -4.784 1.00 0.00 C ATOM 905 CG LYS A 104 7.719 6.877 -5.096 1.00 0.00 C ATOM 906 CD LYS A 104 7.524 6.244 -6.484 1.00 0.00 C ATOM 907 CE LYS A 104 8.638 5.220 -6.744 1.00 0.00 C ATOM 908 NZ LYS A 104 8.529 4.610 -8.100 1.00 0.00 N ATOM 0 H LYS A 104 5.248 7.779 -6.702 1.00 0.00 H new ATOM 0 HA LYS A 104 5.228 6.746 -4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.876 8.793 -5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.142 8.550 -3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 104 8.753 7.212 -5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.568 6.108 -4.338 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.550 5.759 -6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.540 7.017 -7.253 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.608 5.706 -6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.593 4.435 -5.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.299 3.925 -8.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.614 4.124 -8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.598 5.355 -8.822 1.00 0.00 H new ATOM 922 N ALA A 105 4.086 9.840 -4.326 1.00 0.00 N ATOM 923 CA ALA A 105 3.259 10.822 -3.619 1.00 0.00 C ATOM 924 C ALA A 105 1.925 10.210 -3.178 1.00 0.00 C ATOM 925 O ALA A 105 1.491 10.423 -2.046 1.00 0.00 O ATOM 926 CB ALA A 105 3.080 12.071 -4.494 1.00 0.00 C ATOM 0 H ALA A 105 4.240 10.066 -5.309 1.00 0.00 H new ATOM 0 HA ALA A 105 3.765 11.128 -2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.465 12.800 -3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.055 12.507 -4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.593 11.794 -5.429 1.00 0.00 H new ATOM 932 N ILE A 106 1.319 9.369 -4.025 1.00 0.00 N ATOM 933 CA ILE A 106 0.060 8.690 -3.673 1.00 0.00 C ATOM 934 C ILE A 106 0.290 7.716 -2.520 1.00 0.00 C ATOM 935 O ILE A 106 -0.450 7.764 -1.545 1.00 0.00 O ATOM 936 CB ILE A 106 -0.605 8.035 -4.908 1.00 0.00 C ATOM 937 CG1 ILE A 106 -1.389 9.088 -5.715 1.00 0.00 C ATOM 938 CG2 ILE A 106 -1.596 6.911 -4.545 1.00 0.00 C ATOM 939 CD1 ILE A 106 -0.514 10.183 -6.316 1.00 0.00 C ATOM 0 H ILE A 106 1.675 9.142 -4.953 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.655 9.435 -3.323 1.00 0.00 H new ATOM 0 HB ILE A 106 0.214 7.607 -5.486 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.930 8.587 -6.518 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.135 9.547 -5.066 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.025 6.496 -5.457 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.072 6.126 -4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.392 7.316 -3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.138 10.885 -6.869 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.007 10.711 -5.518 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.215 9.736 -6.992 1.00 0.00 H new ATOM 951 N PHE A 107 1.337 6.897 -2.567 1.00 0.00 N ATOM 952 CA PHE A 107 1.597 5.930 -1.486 1.00 0.00 C ATOM 953 C PHE A 107 2.075 6.605 -0.186 1.00 0.00 C ATOM 954 O PHE A 107 1.802 6.095 0.901 1.00 0.00 O ATOM 955 CB PHE A 107 2.554 4.814 -1.937 1.00 0.00 C ATOM 956 CG PHE A 107 2.230 4.180 -3.275 1.00 0.00 C ATOM 957 CD1 PHE A 107 0.889 3.969 -3.650 1.00 0.00 C ATOM 958 CD2 PHE A 107 3.265 3.807 -4.153 1.00 0.00 C ATOM 959 CE1 PHE A 107 0.584 3.450 -4.915 1.00 0.00 C ATOM 960 CE2 PHE A 107 2.958 3.256 -5.411 1.00 0.00 C ATOM 961 CZ PHE A 107 1.616 3.091 -5.799 1.00 0.00 C ATOM 0 H PHE A 107 2.016 6.877 -3.328 1.00 0.00 H new ATOM 0 HA PHE A 107 0.640 5.463 -1.254 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.564 5.221 -1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.559 4.034 -1.176 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.093 4.208 -2.960 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.296 3.944 -3.861 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.447 3.325 -5.212 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.753 2.960 -6.079 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.379 2.690 -6.773 1.00 0.00 H new ATOM 971 N ARG A 108 2.722 7.781 -0.266 1.00 0.00 N ATOM 972 CA ARG A 108 3.077 8.609 0.904 1.00 0.00 C ATOM 973 C ARG A 108 1.839 9.195 1.595 1.00 0.00 C ATOM 974 O ARG A 108 1.740 9.126 2.820 1.00 0.00 O ATOM 975 CB ARG A 108 4.079 9.699 0.476 1.00 0.00 C ATOM 976 CG ARG A 108 4.570 10.545 1.661 1.00 0.00 C ATOM 977 CD ARG A 108 5.616 11.574 1.219 1.00 0.00 C ATOM 978 NE ARG A 108 6.070 12.392 2.362 1.00 0.00 N ATOM 979 CZ ARG A 108 6.950 13.380 2.333 1.00 0.00 C ATOM 980 NH1 ARG A 108 7.535 13.756 1.231 1.00 0.00 N ATOM 981 NH2 ARG A 108 7.260 14.016 3.427 1.00 0.00 N ATOM 0 H ARG A 108 3.017 8.189 -1.153 1.00 0.00 H new ATOM 0 HA ARG A 108 3.555 7.973 1.649 1.00 0.00 H new ATOM 0 HB2 ARG A 108 4.934 9.231 -0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 108 3.610 10.350 -0.261 1.00 0.00 H new ATOM 0 HG2 ARG A 108 3.724 11.058 2.119 1.00 0.00 H new ATOM 0 HG3 ARG A 108 4.998 9.893 2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 108 6.468 11.062 0.772 1.00 0.00 H new ATOM 0 HD3 ARG A 108 5.193 12.220 0.450 1.00 0.00 H new ATOM 0 HE ARG A 108 5.662 12.172 3.270 1.00 0.00 H new ATOM 0 HH11 ARG A 108 7.319 13.284 0.353 1.00 0.00 H new ATOM 0 HH12 ARG A 108 8.208 14.522 1.247 1.00 0.00 H new ATOM 0 HH21 ARG A 108 6.824 13.753 4.311 1.00 0.00 H new ATOM 0 HH22 ARG A 108 7.939 14.777 3.400 1.00 0.00 H new ATOM 995 N ARG A 109 0.891 9.758 0.827 1.00 0.00 N ATOM 996 CA ARG A 109 -0.344 10.367 1.373 1.00 0.00 C ATOM 997 C ARG A 109 -1.421 9.334 1.737 1.00 0.00 C ATOM 998 O ARG A 109 -2.177 9.548 2.684 1.00 0.00 O ATOM 999 CB ARG A 109 -0.890 11.416 0.386 1.00 0.00 C ATOM 1000 CG ARG A 109 0.048 12.613 0.137 1.00 0.00 C ATOM 1001 CD ARG A 109 0.363 13.416 1.406 1.00 0.00 C ATOM 1002 NE ARG A 109 1.237 14.571 1.106 1.00 0.00 N ATOM 1003 CZ ARG A 109 1.769 15.406 1.982 1.00 0.00 C ATOM 1004 NH1 ARG A 109 1.557 15.298 3.265 1.00 0.00 N ATOM 1005 NH2 ARG A 109 2.541 16.376 1.583 1.00 0.00 N ATOM 0 H ARG A 109 0.955 9.806 -0.190 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.075 10.855 2.310 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -1.094 10.927 -0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.842 11.790 0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 109 0.981 12.250 -0.295 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -0.408 13.275 -0.599 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -0.565 13.767 1.857 1.00 0.00 H new ATOM 0 HD3 ARG A 109 0.848 12.770 2.137 1.00 0.00 H new ATOM 0 HE ARG A 109 1.451 14.740 0.123 1.00 0.00 H new ATOM 0 HH11 ARG A 109 0.963 14.550 3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 109 1.985 15.962 3.910 1.00 0.00 H new ATOM 0 HH21 ARG A 109 2.738 16.495 0.589 1.00 0.00 H new ATOM 0 HH22 ARG A 109 2.948 17.017 2.264 1.00 0.00 H new ATOM 1019 N TYR A 110 -1.457 8.215 1.014 1.00 0.00 N ATOM 1020 CA TYR A 110 -2.484 7.172 1.085 1.00 0.00 C ATOM 1021 C TYR A 110 -1.827 5.770 1.124 1.00 0.00 C ATOM 1022 O TYR A 110 -1.771 5.067 0.108 1.00 0.00 O ATOM 1023 CB TYR A 110 -3.445 7.358 -0.101 1.00 0.00 C ATOM 1024 CG TYR A 110 -3.962 8.774 -0.307 1.00 0.00 C ATOM 1025 CD1 TYR A 110 -4.861 9.342 0.614 1.00 0.00 C ATOM 1026 CD2 TYR A 110 -3.542 9.517 -1.424 1.00 0.00 C ATOM 1027 CE1 TYR A 110 -5.368 10.639 0.401 1.00 0.00 C ATOM 1028 CE2 TYR A 110 -4.052 10.810 -1.650 1.00 0.00 C ATOM 1029 CZ TYR A 110 -4.971 11.374 -0.741 1.00 0.00 C ATOM 1030 OH TYR A 110 -5.464 12.624 -0.971 1.00 0.00 O ATOM 0 H TYR A 110 -0.734 7.999 0.327 1.00 0.00 H new ATOM 0 HA TYR A 110 -3.063 7.256 2.005 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.937 7.039 -1.011 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -4.299 6.694 0.038 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -5.163 8.782 1.487 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -2.825 9.094 -2.112 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -6.059 11.072 1.109 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -3.739 11.370 -2.519 1.00 0.00 H new ATOM 0 HH TYR A 110 -5.081 12.979 -1.800 1.00 0.00 H new ATOM 1040 N PRO A 111 -1.294 5.339 2.288 1.00 0.00 N ATOM 1041 CA PRO A 111 -0.444 4.144 2.402 1.00 0.00 C ATOM 1042 C PRO A 111 -1.171 2.806 2.184 1.00 0.00 C ATOM 1043 O PRO A 111 -0.523 1.766 2.070 1.00 0.00 O ATOM 1044 CB PRO A 111 0.190 4.236 3.795 1.00 0.00 C ATOM 1045 CG PRO A 111 -0.833 5.033 4.601 1.00 0.00 C ATOM 1046 CD PRO A 111 -1.362 6.027 3.571 1.00 0.00 C ATOM 0 HA PRO A 111 0.296 4.141 1.601 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.359 3.249 4.225 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.156 4.739 3.764 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.625 4.396 4.994 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -0.376 5.536 5.453 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -2.385 6.324 3.803 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.761 6.936 3.560 1.00 0.00 H new ATOM 1054 N HIS A 112 -2.506 2.812 2.093 1.00 0.00 N ATOM 1055 CA HIS A 112 -3.323 1.627 1.809 1.00 0.00 C ATOM 1056 C HIS A 112 -3.413 1.260 0.316 1.00 0.00 C ATOM 1057 O HIS A 112 -3.896 0.170 0.002 1.00 0.00 O ATOM 1058 CB HIS A 112 -4.706 1.815 2.450 1.00 0.00 C ATOM 1059 CG HIS A 112 -5.548 2.881 1.794 1.00 0.00 C ATOM 1060 ND1 HIS A 112 -5.271 4.251 1.794 1.00 0.00 N ATOM 1061 CD2 HIS A 112 -6.657 2.648 1.033 1.00 0.00 C ATOM 1062 CE1 HIS A 112 -6.234 4.810 1.042 1.00 0.00 C ATOM 1063 NE2 HIS A 112 -7.083 3.878 0.585 1.00 0.00 N ATOM 0 H HIS A 112 -3.060 3.659 2.217 1.00 0.00 H new ATOM 0 HA HIS A 112 -2.823 0.767 2.255 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -5.244 0.868 2.413 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -4.576 2.066 3.503 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -7.110 1.690 0.824 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -6.314 5.867 0.834 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -7.904 4.051 0.005 1.00 0.00 H new ATOM 1071 N LEU A 113 -2.932 2.116 -0.598 1.00 0.00 N ATOM 1072 CA LEU A 113 -2.933 1.817 -2.041 1.00 0.00 C ATOM 1073 C LEU A 113 -1.801 0.845 -2.426 1.00 0.00 C ATOM 1074 O LEU A 113 -2.084 -0.140 -3.113 1.00 0.00 O ATOM 1075 CB LEU A 113 -2.906 3.110 -2.890 1.00 0.00 C ATOM 1076 CG LEU A 113 -4.251 3.848 -3.075 1.00 0.00 C ATOM 1077 CD1 LEU A 113 -5.316 3.001 -3.766 1.00 0.00 C ATOM 1078 CD2 LEU A 113 -4.851 4.281 -1.756 1.00 0.00 C ATOM 0 H LEU A 113 -2.535 3.026 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.871 1.309 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.198 3.802 -2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.516 2.861 -3.877 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.993 4.706 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.234 3.580 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.964 2.710 -4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.512 2.108 -3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.795 4.795 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.029 3.405 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.162 4.955 -1.247 1.00 0.00 H new ATOM 1090 N ARG A 114 -0.574 1.089 -1.920 1.00 0.00 N ATOM 1091 CA ARG A 114 0.654 0.274 -2.104 1.00 0.00 C ATOM 1092 C ARG A 114 1.138 0.040 -3.557 1.00 0.00 C ATOM 1093 O ARG A 114 0.368 0.194 -4.534 1.00 0.00 O ATOM 1094 CB ARG A 114 0.536 -1.056 -1.333 1.00 0.00 C ATOM 1095 CG ARG A 114 0.249 -0.876 0.167 1.00 0.00 C ATOM 1096 CD ARG A 114 0.188 -2.227 0.883 1.00 0.00 C ATOM 1097 NE ARG A 114 -0.084 -2.057 2.323 1.00 0.00 N ATOM 1098 CZ ARG A 114 -0.319 -3.017 3.197 1.00 0.00 C ATOM 1099 NH1 ARG A 114 -0.338 -4.276 2.859 1.00 0.00 N ATOM 1100 NH2 ARG A 114 -0.543 -2.729 4.447 1.00 0.00 N ATOM 1101 OXT ARG A 114 2.328 -0.332 -3.707 1.00 0.00 O ATOM 0 H ARG A 114 -0.399 1.908 -1.337 1.00 0.00 H new ATOM 0 HA ARG A 114 1.444 0.896 -1.684 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -0.260 -1.654 -1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.462 -1.618 -1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 114 1.025 -0.257 0.617 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -0.696 -0.348 0.299 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -0.590 -2.845 0.434 1.00 0.00 H new ATOM 0 HD3 ARG A 114 1.132 -2.756 0.749 1.00 0.00 H new ATOM 0 HE ARG A 114 -0.091 -1.101 2.679 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -0.168 -4.547 1.890 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -0.523 -4.990 3.563 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -0.537 -1.757 4.755 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -0.724 -3.476 5.118 1.00 0.00 H new TER 1115 ARG A 114