USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 669 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 10 THR OG1 : rot 180:sc= 0.413 USER MOD Set 1.2: A 81 LYS NZ :NH3+ -127:sc= 0.44 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 17 HIS : no HD1:sc= -1.58 X(o=-1.6,f=-1.5) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.0883 X(o=-0.088,f=0) USER MOD Single : A 55 ASN : amide:sc= -4.52! C(o=-4.5!,f=-4.8!) USER MOD Single : A 57 GLN : amide:sc= -0.225 K(o=-0.23,f=-3.5!) USER MOD Single : A 58 SER OG : rot 36:sc= 0.732 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HE2:sc= -12.2! C(o=-12!,f=-12!) USER MOD Single : A 72 THR OG1 : rot 76:sc= 0.562 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-1.9) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 171:sc= -0.647 (180deg=-0.69) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 88 TYR OH : rot 165:sc= -0.699 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -3.423 6.821 -11.369 1.00 0.00 N ATOM 67 CA VAL A 8 -3.015 6.012 -10.226 1.00 0.00 C ATOM 68 C VAL A 8 -3.779 6.411 -8.969 1.00 0.00 C ATOM 69 O VAL A 8 -4.102 7.583 -8.770 1.00 0.00 O ATOM 70 CB VAL A 8 -1.504 6.142 -9.958 1.00 0.00 C ATOM 71 CG1 VAL A 8 -1.112 5.357 -8.716 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.706 5.676 -11.167 1.00 0.00 C ATOM 0 HA VAL A 8 -3.245 4.976 -10.473 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.274 7.193 -9.782 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.041 5.461 -8.543 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.658 5.742 -7.855 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.356 4.304 -8.859 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.360 5.775 -10.960 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.940 4.632 -11.377 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.966 6.287 -12.032 1.00 0.00 H new ATOM 82 N THR A 9 -4.067 5.428 -8.121 1.00 0.00 N ATOM 83 CA THR A 9 -4.794 5.676 -6.882 1.00 0.00 C ATOM 84 C THR A 9 -3.838 5.823 -5.704 1.00 0.00 C ATOM 85 O THR A 9 -2.854 5.091 -5.594 1.00 0.00 O ATOM 86 CB THR A 9 -5.792 4.542 -6.581 1.00 0.00 C ATOM 87 OG1 THR A 9 -6.630 4.312 -7.719 1.00 0.00 O ATOM 88 CG2 THR A 9 -6.651 4.884 -5.373 1.00 0.00 C ATOM 0 H THR A 9 -3.808 4.453 -8.270 1.00 0.00 H new ATOM 0 HA THR A 9 -5.344 6.607 -7.018 1.00 0.00 H new ATOM 0 HB THR A 9 -5.225 3.638 -6.359 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.260 3.589 -7.520 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.348 4.069 -5.180 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.012 5.030 -4.502 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.209 5.799 -5.571 1.00 0.00 H new ATOM 96 N THR A 10 -4.135 6.773 -4.822 1.00 0.00 N ATOM 97 CA THR A 10 -3.302 7.016 -3.652 1.00 0.00 C ATOM 98 C THR A 10 -4.118 6.923 -2.367 1.00 0.00 C ATOM 99 O THR A 10 -5.296 7.277 -2.343 1.00 0.00 O ATOM 100 CB THR A 10 -2.628 8.399 -3.719 1.00 0.00 C ATOM 101 OG1 THR A 10 -1.828 8.497 -4.903 1.00 0.00 O ATOM 102 CG2 THR A 10 -1.759 8.639 -2.493 1.00 0.00 C ATOM 0 H THR A 10 -4.947 7.386 -4.897 1.00 0.00 H new ATOM 0 HA THR A 10 -2.532 6.245 -3.647 1.00 0.00 H new ATOM 0 HB THR A 10 -3.410 9.158 -3.744 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.404 9.380 -4.939 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.294 9.622 -2.564 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.376 8.593 -1.595 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.984 7.874 -2.441 1.00 0.00 H new ATOM 110 N ALA A 11 -3.483 6.446 -1.302 1.00 0.00 N ATOM 111 CA ALA A 11 -4.151 6.310 -0.013 1.00 0.00 C ATOM 112 C ALA A 11 -3.174 6.534 1.137 1.00 0.00 C ATOM 113 O ALA A 11 -2.026 6.094 1.083 1.00 0.00 O ATOM 114 CB ALA A 11 -4.800 4.939 0.103 1.00 0.00 C ATOM 0 H ALA A 11 -2.508 6.147 -1.306 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.927 7.073 0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.295 4.851 1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.534 4.816 -0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.036 4.166 0.015 1.00 0.00 H new ATOM 120 N ILE A 12 -3.638 7.221 2.175 1.00 0.00 N ATOM 121 CA ILE A 12 -2.806 7.503 3.338 1.00 0.00 C ATOM 122 C ILE A 12 -3.319 6.770 4.572 1.00 0.00 C ATOM 123 O ILE A 12 -4.525 6.599 4.749 1.00 0.00 O ATOM 124 CB ILE A 12 -2.750 9.013 3.638 1.00 0.00 C ATOM 125 CG1 ILE A 12 -2.566 9.806 2.342 1.00 0.00 C ATOM 126 CG2 ILE A 12 -1.625 9.317 4.616 1.00 0.00 C ATOM 127 CD1 ILE A 12 -1.262 9.514 1.634 1.00 0.00 C ATOM 0 H ILE A 12 -4.586 7.593 2.234 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.802 7.151 3.100 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.693 9.313 4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.393 9.583 1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.617 10.871 2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.598 10.388 4.818 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.796 8.776 5.547 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.674 9.005 4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.200 10.111 0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.428 9.764 2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.217 8.456 1.377 1.00 0.00 H new ATOM 139 N ILE A 13 -2.394 6.339 5.425 1.00 0.00 N ATOM 140 CA ILE A 13 -2.754 5.627 6.644 1.00 0.00 C ATOM 141 C ILE A 13 -2.242 6.359 7.880 1.00 0.00 C ATOM 142 O ILE A 13 -1.256 7.094 7.815 1.00 0.00 O ATOM 143 CB ILE A 13 -2.194 4.192 6.644 1.00 0.00 C ATOM 144 CG1 ILE A 13 -2.375 3.551 5.266 1.00 0.00 C ATOM 145 CG2 ILE A 13 -2.877 3.357 7.716 1.00 0.00 C ATOM 146 CD1 ILE A 13 -3.813 3.216 4.940 1.00 0.00 C ATOM 0 H ILE A 13 -1.391 6.471 5.293 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.843 5.584 6.674 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.128 4.234 6.868 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.987 4.228 4.505 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.778 2.640 5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.471 2.346 7.703 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.702 3.806 8.694 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.949 3.320 7.520 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.866 2.765 3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.200 2.514 5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.412 4.127 4.957 1.00 0.00 H new ATOM 158 N HIS A 14 -2.918 6.153 9.006 1.00 0.00 N ATOM 159 CA HIS A 14 -2.530 6.792 10.258 1.00 0.00 C ATOM 160 C HIS A 14 -1.926 5.776 11.223 1.00 0.00 C ATOM 161 O HIS A 14 -2.648 5.025 11.880 1.00 0.00 O ATOM 162 CB HIS A 14 -3.738 7.471 10.905 1.00 0.00 C ATOM 163 CG HIS A 14 -3.976 8.866 10.412 1.00 0.00 C ATOM 164 ND1 HIS A 14 -3.843 9.229 9.088 1.00 0.00 N ATOM 165 CD2 HIS A 14 -4.342 9.988 11.074 1.00 0.00 C ATOM 166 CE1 HIS A 14 -4.115 10.515 8.958 1.00 0.00 C ATOM 167 NE2 HIS A 14 -4.421 10.999 10.148 1.00 0.00 N ATOM 0 H HIS A 14 -3.737 5.549 9.077 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.776 7.546 10.033 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.627 6.870 10.714 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.595 7.496 11.985 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.536 10.073 12.133 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.091 11.076 8.035 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -4.675 11.967 10.347 1.00 0.00 H new ATOM 175 N ARG A 15 -0.600 5.757 11.302 1.00 0.00 N ATOM 176 CA ARG A 15 0.100 4.831 12.184 1.00 0.00 C ATOM 177 C ARG A 15 0.855 5.586 13.275 1.00 0.00 C ATOM 178 O ARG A 15 2.037 5.902 13.140 1.00 0.00 O ATOM 179 CB ARG A 15 1.072 3.965 11.382 1.00 0.00 C ATOM 180 CG ARG A 15 0.385 2.928 10.508 1.00 0.00 C ATOM 181 CD ARG A 15 1.384 2.189 9.631 1.00 0.00 C ATOM 182 NE ARG A 15 1.927 1.007 10.295 1.00 0.00 N ATOM 183 CZ ARG A 15 2.959 1.043 11.131 1.00 0.00 C ATOM 184 NH1 ARG A 15 3.556 2.195 11.403 1.00 0.00 N ATOM 185 NH2 ARG A 15 3.396 -0.075 11.696 1.00 0.00 N ATOM 0 H ARG A 15 0.012 6.372 10.766 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.642 4.188 12.657 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.685 4.610 10.752 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.747 3.457 12.071 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.146 2.214 11.138 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.361 3.416 9.880 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.899 1.892 8.701 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.199 2.862 9.365 1.00 0.00 H new ATOM 0 HE ARG A 15 1.490 0.105 10.107 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.223 3.057 10.970 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.348 2.220 12.045 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.940 -0.963 11.489 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.188 -0.046 12.338 1.00 0.00 H new ATOM 199 N PRO A 16 0.157 5.882 14.381 1.00 0.00 N ATOM 200 CA PRO A 16 0.742 6.602 15.516 1.00 0.00 C ATOM 201 C PRO A 16 1.768 5.763 16.270 1.00 0.00 C ATOM 202 O PRO A 16 2.629 6.297 16.969 1.00 0.00 O ATOM 203 CB PRO A 16 -0.466 6.898 16.409 1.00 0.00 C ATOM 204 CG PRO A 16 -1.456 5.838 16.069 1.00 0.00 C ATOM 205 CD PRO A 16 -1.255 5.536 14.610 1.00 0.00 C ATOM 0 HA PRO A 16 1.283 7.493 15.197 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.196 6.864 17.464 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.868 7.892 16.215 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.298 4.947 16.677 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.474 6.179 16.260 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.453 4.488 14.386 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.921 6.128 13.982 1.00 0.00 H new ATOM 213 N HIS A 17 1.671 4.445 16.123 1.00 0.00 N ATOM 214 CA HIS A 17 2.592 3.531 16.789 1.00 0.00 C ATOM 215 C HIS A 17 3.209 2.557 15.789 1.00 0.00 C ATOM 216 O HIS A 17 2.527 2.053 14.898 1.00 0.00 O ATOM 217 CB HIS A 17 1.869 2.759 17.892 1.00 0.00 C ATOM 218 CG HIS A 17 2.748 2.406 19.052 1.00 0.00 C ATOM 219 ND1 HIS A 17 3.160 1.118 19.320 1.00 0.00 N ATOM 220 CD2 HIS A 17 3.296 3.183 20.016 1.00 0.00 C ATOM 221 CE1 HIS A 17 3.922 1.117 20.400 1.00 0.00 C ATOM 222 NE2 HIS A 17 4.020 2.358 20.841 1.00 0.00 N ATOM 0 H HIS A 17 0.964 3.986 15.549 1.00 0.00 H new ATOM 0 HA HIS A 17 3.392 4.122 17.235 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.030 3.355 18.251 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.453 1.844 17.471 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.184 4.252 20.117 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.385 0.249 20.846 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.548 2.655 21.661 1.00 0.00 H new ATOM 230 N ALA A 18 4.503 2.298 15.945 1.00 0.00 N ATOM 231 CA ALA A 18 5.211 1.384 15.057 1.00 0.00 C ATOM 232 C ALA A 18 4.965 -0.067 15.454 1.00 0.00 C ATOM 233 O ALA A 18 4.903 -0.952 14.601 1.00 0.00 O ATOM 234 CB ALA A 18 6.701 1.690 15.064 1.00 0.00 C ATOM 0 H ALA A 18 5.082 2.708 16.678 1.00 0.00 H new ATOM 0 HA ALA A 18 4.827 1.527 14.047 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.217 1.000 14.397 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.864 2.713 14.725 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.091 1.577 16.076 1.00 0.00 H new ATOM 240 N ARG A 19 4.826 -0.305 16.754 1.00 0.00 N ATOM 241 CA ARG A 19 4.589 -1.650 17.264 1.00 0.00 C ATOM 242 C ARG A 19 3.105 -2.001 17.203 1.00 0.00 C ATOM 243 O ARG A 19 2.610 -2.786 18.010 1.00 0.00 O ATOM 244 CB ARG A 19 5.093 -1.769 18.704 1.00 0.00 C ATOM 245 CG ARG A 19 6.604 -1.889 18.811 1.00 0.00 C ATOM 246 CD ARG A 19 7.081 -1.654 20.236 1.00 0.00 C ATOM 247 NE ARG A 19 6.997 -2.866 21.048 1.00 0.00 N ATOM 248 CZ ARG A 19 7.259 -2.897 22.350 1.00 0.00 C ATOM 249 NH1 ARG A 19 7.619 -1.790 22.984 1.00 0.00 N ATOM 250 NH2 ARG A 19 7.160 -4.038 23.020 1.00 0.00 N ATOM 0 H ARG A 19 4.873 0.416 17.473 1.00 0.00 H new ATOM 0 HA ARG A 19 5.137 -2.352 16.635 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.765 -0.896 19.268 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.634 -2.641 19.170 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.916 -2.880 18.480 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.076 -1.167 18.144 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.112 -1.299 20.220 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.481 -0.868 20.694 1.00 0.00 H new ATOM 0 HE ARG A 19 6.722 -3.735 20.590 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.696 -0.911 22.472 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.819 -1.817 23.984 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.883 -4.892 22.535 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.361 -4.062 24.020 1.00 0.00 H new ATOM 264 N GLU A 20 2.402 -1.412 16.241 1.00 0.00 N ATOM 265 CA GLU A 20 0.975 -1.661 16.076 1.00 0.00 C ATOM 266 C GLU A 20 0.678 -2.232 14.692 1.00 0.00 C ATOM 267 O GLU A 20 1.201 -1.751 13.687 1.00 0.00 O ATOM 268 CB GLU A 20 0.181 -0.371 16.288 1.00 0.00 C ATOM 269 CG GLU A 20 -0.023 -0.016 17.751 1.00 0.00 C ATOM 270 CD GLU A 20 -1.089 -0.866 18.415 1.00 0.00 C ATOM 271 OE1 GLU A 20 -2.283 -0.667 18.110 1.00 0.00 O ATOM 272 OE2 GLU A 20 -0.728 -1.731 19.240 1.00 0.00 O ATOM 0 H GLU A 20 2.797 -0.759 15.564 1.00 0.00 H new ATOM 0 HA GLU A 20 0.672 -2.393 16.825 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.699 0.450 15.792 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.792 -0.470 15.808 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.919 -0.139 18.285 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.300 1.035 17.831 1.00 0.00 H new ATOM 279 N GLN A 21 -0.163 -3.260 14.650 1.00 0.00 N ATOM 280 CA GLN A 21 -0.527 -3.897 13.390 1.00 0.00 C ATOM 281 C GLN A 21 -0.909 -2.855 12.344 1.00 0.00 C ATOM 282 O GLN A 21 -0.954 -1.658 12.632 1.00 0.00 O ATOM 283 CB GLN A 21 -1.687 -4.871 13.604 1.00 0.00 C ATOM 284 CG GLN A 21 -1.309 -6.099 14.416 1.00 0.00 C ATOM 285 CD GLN A 21 -2.278 -7.249 14.221 1.00 0.00 C ATOM 286 OE1 GLN A 21 -3.347 -7.284 14.831 1.00 0.00 O ATOM 287 NE2 GLN A 21 -1.908 -8.197 13.369 1.00 0.00 N ATOM 0 H GLN A 21 -0.605 -3.669 15.473 1.00 0.00 H new ATOM 0 HA GLN A 21 0.340 -4.449 13.027 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.500 -4.349 14.108 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.066 -5.190 12.633 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.307 -6.422 14.134 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.273 -5.834 15.473 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.013 -8.127 12.885 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.519 -8.996 13.198 1.00 0.00 H new ATOM 296 N LEU A 22 -1.182 -3.317 11.129 1.00 0.00 N ATOM 297 CA LEU A 22 -1.559 -2.425 10.038 1.00 0.00 C ATOM 298 C LEU A 22 -3.045 -2.554 9.718 1.00 0.00 C ATOM 299 O LEU A 22 -3.751 -1.555 9.583 1.00 0.00 O ATOM 300 CB LEU A 22 -0.729 -2.732 8.791 1.00 0.00 C ATOM 301 CG LEU A 22 0.618 -2.015 8.687 1.00 0.00 C ATOM 302 CD1 LEU A 22 1.565 -2.786 7.781 1.00 0.00 C ATOM 303 CD2 LEU A 22 0.428 -0.594 8.178 1.00 0.00 C ATOM 0 H LEU A 22 -1.149 -4.304 10.874 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.362 -1.401 10.355 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.550 -3.807 8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.322 -2.477 7.913 1.00 0.00 H new ATOM 0 HG LEU A 22 1.060 -1.967 9.682 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.518 -2.261 7.719 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.727 -3.784 8.189 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.130 -2.867 6.785 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.397 -0.099 8.110 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.036 -0.620 7.192 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.213 -0.044 8.866 1.00 0.00 H new ATOM 315 N GLY A 23 -3.515 -3.792 9.601 1.00 0.00 N ATOM 316 CA GLY A 23 -4.915 -4.030 9.301 1.00 0.00 C ATOM 317 C GLY A 23 -5.116 -4.657 7.935 1.00 0.00 C ATOM 318 O GLY A 23 -5.883 -5.609 7.788 1.00 0.00 O ATOM 0 H GLY A 23 -2.951 -4.635 9.709 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.341 -4.682 10.063 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.459 -3.087 9.348 1.00 0.00 H new ATOM 322 N PHE A 24 -4.428 -4.121 6.933 1.00 0.00 N ATOM 323 CA PHE A 24 -4.537 -4.632 5.571 1.00 0.00 C ATOM 324 C PHE A 24 -3.509 -5.731 5.319 1.00 0.00 C ATOM 325 O PHE A 24 -2.306 -5.518 5.474 1.00 0.00 O ATOM 326 CB PHE A 24 -4.347 -3.499 4.561 1.00 0.00 C ATOM 327 CG PHE A 24 -3.057 -2.750 4.736 1.00 0.00 C ATOM 328 CD1 PHE A 24 -2.990 -1.644 5.568 1.00 0.00 C ATOM 329 CD2 PHE A 24 -1.911 -3.153 4.069 1.00 0.00 C ATOM 330 CE1 PHE A 24 -1.804 -0.953 5.729 1.00 0.00 C ATOM 331 CE2 PHE A 24 -0.722 -2.466 4.228 1.00 0.00 C ATOM 332 CZ PHE A 24 -0.669 -1.365 5.060 1.00 0.00 C ATOM 0 H PHE A 24 -3.789 -3.333 7.038 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.534 -5.055 5.447 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.384 -3.912 3.553 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.179 -2.800 4.650 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.874 -1.318 6.096 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.947 -4.014 3.418 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.765 -0.091 6.378 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.164 -2.790 3.702 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.259 -0.827 5.187 1.00 0.00 H new ATOM 342 N CYS A 25 -3.992 -6.906 4.930 1.00 0.00 N ATOM 343 CA CYS A 25 -3.116 -8.040 4.657 1.00 0.00 C ATOM 344 C CYS A 25 -2.530 -7.949 3.252 1.00 0.00 C ATOM 345 O CYS A 25 -3.264 -7.904 2.264 1.00 0.00 O ATOM 346 CB CYS A 25 -3.882 -9.354 4.820 1.00 0.00 C ATOM 347 SG CYS A 25 -2.836 -10.774 5.219 1.00 0.00 S ATOM 0 H CYS A 25 -4.985 -7.098 4.797 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.296 -8.015 5.375 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.627 -9.233 5.606 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.424 -9.563 3.898 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.575 -11.837 5.339 1.00 0.00 H new ATOM 353 N VAL A 26 -1.204 -7.921 3.169 1.00 0.00 N ATOM 354 CA VAL A 26 -0.519 -7.835 1.885 1.00 0.00 C ATOM 355 C VAL A 26 0.213 -9.133 1.564 1.00 0.00 C ATOM 356 O VAL A 26 0.886 -9.705 2.421 1.00 0.00 O ATOM 357 CB VAL A 26 0.489 -6.670 1.863 1.00 0.00 C ATOM 358 CG1 VAL A 26 1.232 -6.632 0.537 1.00 0.00 C ATOM 359 CG2 VAL A 26 -0.218 -5.349 2.127 1.00 0.00 C ATOM 0 H VAL A 26 -0.582 -7.957 3.977 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.284 -7.657 1.130 1.00 0.00 H new ATOM 0 HB VAL A 26 1.220 -6.829 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.939 -5.803 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.771 -7.569 0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.519 -6.497 -0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.509 -4.537 2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.972 -5.180 1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.699 -5.383 3.105 1.00 0.00 H new ATOM 369 N GLU A 27 0.077 -9.592 0.324 1.00 0.00 N ATOM 370 CA GLU A 27 0.726 -10.824 -0.109 1.00 0.00 C ATOM 371 C GLU A 27 1.570 -10.583 -1.358 1.00 0.00 C ATOM 372 O GLU A 27 1.058 -10.162 -2.395 1.00 0.00 O ATOM 373 CB GLU A 27 -0.319 -11.906 -0.387 1.00 0.00 C ATOM 374 CG GLU A 27 -1.034 -12.397 0.860 1.00 0.00 C ATOM 375 CD GLU A 27 -0.190 -13.355 1.678 1.00 0.00 C ATOM 376 OE1 GLU A 27 1.032 -13.121 1.791 1.00 0.00 O ATOM 377 OE2 GLU A 27 -0.750 -14.339 2.205 1.00 0.00 O ATOM 0 H GLU A 27 -0.476 -9.130 -0.398 1.00 0.00 H new ATOM 0 HA GLU A 27 1.382 -11.161 0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.056 -11.515 -1.088 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.167 -12.752 -0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.308 -11.542 1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.961 -12.892 0.571 1.00 0.00 H new ATOM 384 N ASP A 28 2.866 -10.853 -1.249 1.00 0.00 N ATOM 385 CA ASP A 28 3.783 -10.668 -2.368 1.00 0.00 C ATOM 386 C ASP A 28 3.629 -9.275 -2.971 1.00 0.00 C ATOM 387 O ASP A 28 3.899 -9.065 -4.152 1.00 0.00 O ATOM 388 CB ASP A 28 3.535 -11.731 -3.440 1.00 0.00 C ATOM 389 CG ASP A 28 4.275 -13.023 -3.155 1.00 0.00 C ATOM 390 OD1 ASP A 28 4.139 -13.549 -2.031 1.00 0.00 O ATOM 391 OD2 ASP A 28 4.989 -13.508 -4.057 1.00 0.00 O ATOM 0 H ASP A 28 3.306 -11.201 -0.397 1.00 0.00 H new ATOM 0 HA ASP A 28 4.801 -10.772 -1.993 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.466 -11.935 -3.506 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.846 -11.344 -4.410 1.00 0.00 H new ATOM 396 N GLY A 29 3.192 -8.325 -2.149 1.00 0.00 N ATOM 397 CA GLY A 29 3.009 -6.964 -2.619 1.00 0.00 C ATOM 398 C GLY A 29 1.619 -6.725 -3.175 1.00 0.00 C ATOM 399 O GLY A 29 1.400 -5.779 -3.933 1.00 0.00 O ATOM 0 H GLY A 29 2.962 -8.474 -1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.193 -6.271 -1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.748 -6.747 -3.390 1.00 0.00 H new ATOM 403 N ILE A 30 0.677 -7.584 -2.798 1.00 0.00 N ATOM 404 CA ILE A 30 -0.698 -7.461 -3.265 1.00 0.00 C ATOM 405 C ILE A 30 -1.687 -7.701 -2.129 1.00 0.00 C ATOM 406 O ILE A 30 -1.754 -8.798 -1.572 1.00 0.00 O ATOM 407 CB ILE A 30 -0.996 -8.450 -4.407 1.00 0.00 C ATOM 408 CG1 ILE A 30 -0.072 -8.181 -5.597 1.00 0.00 C ATOM 409 CG2 ILE A 30 -2.454 -8.349 -4.829 1.00 0.00 C ATOM 410 CD1 ILE A 30 -0.374 -9.043 -6.803 1.00 0.00 C ATOM 0 H ILE A 30 0.841 -8.372 -2.171 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.815 -6.443 -3.638 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.811 -9.463 -4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.154 -7.132 -5.881 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.960 -8.348 -5.290 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.649 -9.054 -5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.096 -8.584 -3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.664 -7.336 -5.173 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.319 -8.798 -7.608 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.264 -10.094 -6.536 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.396 -8.858 -7.135 1.00 0.00 H new ATOM 422 N ILE A 31 -2.455 -6.670 -1.792 1.00 0.00 N ATOM 423 CA ILE A 31 -3.442 -6.771 -0.725 1.00 0.00 C ATOM 424 C ILE A 31 -4.515 -7.800 -1.063 1.00 0.00 C ATOM 425 O ILE A 31 -4.959 -7.895 -2.209 1.00 0.00 O ATOM 426 CB ILE A 31 -4.117 -5.413 -0.452 1.00 0.00 C ATOM 427 CG1 ILE A 31 -3.065 -4.357 -0.106 1.00 0.00 C ATOM 428 CG2 ILE A 31 -5.134 -5.543 0.671 1.00 0.00 C ATOM 429 CD1 ILE A 31 -3.471 -2.951 -0.491 1.00 0.00 C ATOM 0 H ILE A 31 -2.412 -5.756 -2.243 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.907 -7.089 0.170 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.640 -5.096 -1.354 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.868 -4.389 0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.131 -4.608 -0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.602 -4.575 0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.897 -6.268 0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.633 -5.879 1.579 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.678 -2.255 -0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.640 -2.903 -1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.388 -2.681 0.032 1.00 0.00 H new ATOM 441 N CYS A 32 -4.929 -8.566 -0.061 1.00 0.00 N ATOM 442 CA CYS A 32 -5.952 -9.589 -0.252 1.00 0.00 C ATOM 443 C CYS A 32 -7.120 -9.375 0.706 1.00 0.00 C ATOM 444 O CYS A 32 -8.282 -9.434 0.306 1.00 0.00 O ATOM 445 CB CYS A 32 -5.355 -10.982 -0.046 1.00 0.00 C ATOM 446 SG CYS A 32 -4.239 -11.509 -1.366 1.00 0.00 S ATOM 0 H CYS A 32 -4.573 -8.499 0.892 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.324 -9.510 -1.273 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.814 -10.997 0.900 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.167 -11.705 0.039 1.00 0.00 H new ATOM 0 HG CYS A 32 -3.784 -12.697 -1.101 1.00 0.00 H new ATOM 452 N SER A 33 -6.802 -9.129 1.973 1.00 0.00 N ATOM 453 CA SER A 33 -7.824 -8.912 2.989 1.00 0.00 C ATOM 454 C SER A 33 -7.601 -7.587 3.711 1.00 0.00 C ATOM 455 O SER A 33 -6.505 -7.025 3.676 1.00 0.00 O ATOM 456 CB SER A 33 -7.822 -10.063 3.998 1.00 0.00 C ATOM 457 OG SER A 33 -7.924 -11.315 3.344 1.00 0.00 O ATOM 0 H SER A 33 -5.844 -9.075 2.320 1.00 0.00 H new ATOM 0 HA SER A 33 -8.793 -8.875 2.492 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.906 -10.031 4.589 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.654 -9.943 4.692 1.00 0.00 H new ATOM 0 HG SER A 33 -7.919 -12.034 4.010 1.00 0.00 H new ATOM 463 N LEU A 34 -8.646 -7.093 4.365 1.00 0.00 N ATOM 464 CA LEU A 34 -8.566 -5.834 5.097 1.00 0.00 C ATOM 465 C LEU A 34 -9.221 -5.958 6.469 1.00 0.00 C ATOM 466 O LEU A 34 -10.301 -6.535 6.603 1.00 0.00 O ATOM 467 CB LEU A 34 -9.236 -4.714 4.298 1.00 0.00 C ATOM 468 CG LEU A 34 -8.697 -3.303 4.539 1.00 0.00 C ATOM 469 CD1 LEU A 34 -9.164 -2.360 3.441 1.00 0.00 C ATOM 470 CD2 LEU A 34 -9.132 -2.792 5.904 1.00 0.00 C ATOM 0 H LEU A 34 -9.559 -7.545 4.403 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.513 -5.591 5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.137 -4.943 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.302 -4.718 4.527 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.608 -3.342 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.771 -1.361 3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.803 -2.717 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.253 -2.326 3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.739 -1.787 6.058 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.221 -2.768 5.954 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.748 -3.454 6.680 1.00 0.00 H new ATOM 482 N LEU A 35 -8.562 -5.411 7.484 1.00 0.00 N ATOM 483 CA LEU A 35 -9.081 -5.458 8.847 1.00 0.00 C ATOM 484 C LEU A 35 -10.310 -4.566 8.993 1.00 0.00 C ATOM 485 O LEU A 35 -10.214 -3.342 8.904 1.00 0.00 O ATOM 486 CB LEU A 35 -8.001 -5.026 9.840 1.00 0.00 C ATOM 487 CG LEU A 35 -8.405 -5.030 11.315 1.00 0.00 C ATOM 488 CD1 LEU A 35 -8.180 -6.405 11.926 1.00 0.00 C ATOM 489 CD2 LEU A 35 -7.631 -3.970 12.084 1.00 0.00 C ATOM 0 H LEU A 35 -7.668 -4.930 7.390 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.374 -6.485 9.063 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.140 -5.683 9.718 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.674 -4.020 9.576 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.467 -4.794 11.381 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.473 -6.389 12.976 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.780 -7.143 11.393 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.126 -6.670 11.848 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.932 -3.988 13.131 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.563 -4.174 12.010 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.843 -2.987 11.662 1.00 0.00 H new ATOM 501 N ARG A 36 -11.462 -5.187 9.219 1.00 0.00 N ATOM 502 CA ARG A 36 -12.709 -4.449 9.379 1.00 0.00 C ATOM 503 C ARG A 36 -12.585 -3.404 10.484 1.00 0.00 C ATOM 504 O ARG A 36 -12.029 -3.674 11.548 1.00 0.00 O ATOM 505 CB ARG A 36 -13.858 -5.409 9.697 1.00 0.00 C ATOM 506 CG ARG A 36 -15.224 -4.879 9.293 1.00 0.00 C ATOM 507 CD ARG A 36 -15.528 -5.177 7.833 1.00 0.00 C ATOM 508 NE ARG A 36 -14.957 -4.173 6.939 1.00 0.00 N ATOM 509 CZ ARG A 36 -14.972 -4.275 5.615 1.00 0.00 C ATOM 510 NH1 ARG A 36 -15.526 -5.330 5.034 1.00 0.00 N ATOM 511 NH2 ARG A 36 -14.431 -3.320 4.869 1.00 0.00 N ATOM 0 H ARG A 36 -11.558 -6.200 9.296 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.921 -3.937 8.440 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.680 -6.356 9.188 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.860 -5.618 10.767 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.991 -5.328 9.924 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.262 -3.803 9.461 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.133 -6.159 7.574 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.608 -5.219 7.689 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.523 -3.349 7.354 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.942 -6.066 5.604 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.536 -5.405 4.017 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.003 -2.507 5.313 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.443 -3.399 3.852 1.00 0.00 H new ATOM 525 N GLY A 37 -13.107 -2.209 10.223 1.00 0.00 N ATOM 526 CA GLY A 37 -13.044 -1.142 11.204 1.00 0.00 C ATOM 527 C GLY A 37 -11.634 -0.895 11.702 1.00 0.00 C ATOM 528 O GLY A 37 -11.385 -0.891 12.907 1.00 0.00 O ATOM 0 H GLY A 37 -13.572 -1.961 9.350 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.437 -0.225 10.765 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.686 -1.391 12.049 1.00 0.00 H new ATOM 532 N GLY A 38 -10.706 -0.691 10.772 1.00 0.00 N ATOM 533 CA GLY A 38 -9.324 -0.447 11.142 1.00 0.00 C ATOM 534 C GLY A 38 -8.821 0.896 10.653 1.00 0.00 C ATOM 535 O GLY A 38 -9.603 1.827 10.461 1.00 0.00 O ATOM 0 H GLY A 38 -10.887 -0.690 9.768 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.228 -0.494 12.227 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.696 -1.238 10.732 1.00 0.00 H new ATOM 539 N ILE A 39 -7.511 0.998 10.451 1.00 0.00 N ATOM 540 CA ILE A 39 -6.905 2.237 9.981 1.00 0.00 C ATOM 541 C ILE A 39 -6.955 2.331 8.460 1.00 0.00 C ATOM 542 O ILE A 39 -7.336 3.361 7.904 1.00 0.00 O ATOM 543 CB ILE A 39 -5.442 2.359 10.444 1.00 0.00 C ATOM 544 CG1 ILE A 39 -5.302 1.890 11.894 1.00 0.00 C ATOM 545 CG2 ILE A 39 -4.957 3.793 10.297 1.00 0.00 C ATOM 546 CD1 ILE A 39 -3.867 1.809 12.367 1.00 0.00 C ATOM 0 H ILE A 39 -6.850 0.237 10.606 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.483 3.054 10.412 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.823 1.720 9.814 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.852 2.572 12.543 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.766 0.909 11.996 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.921 3.862 10.629 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.025 4.095 9.252 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.577 4.451 10.905 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.844 1.470 13.403 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.317 1.105 11.742 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.405 2.794 12.297 1.00 0.00 H new ATOM 558 N ALA A 40 -6.569 1.249 7.793 1.00 0.00 N ATOM 559 CA ALA A 40 -6.573 1.208 6.336 1.00 0.00 C ATOM 560 C ALA A 40 -7.917 1.663 5.777 1.00 0.00 C ATOM 561 O ALA A 40 -7.997 2.665 5.069 1.00 0.00 O ATOM 562 CB ALA A 40 -6.243 -0.194 5.846 1.00 0.00 C ATOM 0 H ALA A 40 -6.249 0.389 8.238 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.808 1.896 5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.250 -0.209 4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.256 -0.483 6.207 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.987 -0.896 6.223 1.00 0.00 H new ATOM 568 N GLU A 41 -8.969 0.918 6.101 1.00 0.00 N ATOM 569 CA GLU A 41 -10.310 1.245 5.630 1.00 0.00 C ATOM 570 C GLU A 41 -10.546 2.752 5.665 1.00 0.00 C ATOM 571 O GLU A 41 -11.121 3.322 4.737 1.00 0.00 O ATOM 572 CB GLU A 41 -11.362 0.533 6.482 1.00 0.00 C ATOM 573 CG GLU A 41 -12.719 0.422 5.807 1.00 0.00 C ATOM 574 CD GLU A 41 -13.608 1.619 6.084 1.00 0.00 C ATOM 575 OE1 GLU A 41 -13.321 2.709 5.545 1.00 0.00 O ATOM 576 OE2 GLU A 41 -14.590 1.466 6.840 1.00 0.00 O ATOM 0 H GLU A 41 -8.919 0.085 6.687 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.398 0.904 4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.004 -0.467 6.725 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.477 1.068 7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.578 0.320 4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.218 -0.484 6.150 1.00 0.00 H new ATOM 583 N ARG A 42 -10.100 3.390 6.742 1.00 0.00 N ATOM 584 CA ARG A 42 -10.264 4.830 6.899 1.00 0.00 C ATOM 585 C ARG A 42 -9.302 5.590 5.990 1.00 0.00 C ATOM 586 O ARG A 42 -9.639 6.645 5.455 1.00 0.00 O ATOM 587 CB ARG A 42 -10.033 5.235 8.356 1.00 0.00 C ATOM 588 CG ARG A 42 -11.232 4.986 9.255 1.00 0.00 C ATOM 589 CD ARG A 42 -11.185 5.857 10.501 1.00 0.00 C ATOM 590 NE ARG A 42 -11.584 7.233 10.222 1.00 0.00 N ATOM 591 CZ ARG A 42 -11.836 8.132 11.168 1.00 0.00 C ATOM 592 NH1 ARG A 42 -11.729 7.800 12.447 1.00 0.00 N ATOM 593 NH2 ARG A 42 -12.194 9.365 10.835 1.00 0.00 N ATOM 0 H ARG A 42 -9.622 2.933 7.519 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.284 5.087 6.615 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.177 4.684 8.746 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.775 6.293 8.393 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.150 5.188 8.703 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.259 3.936 9.545 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.842 5.436 11.262 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.175 5.848 10.911 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.674 7.520 9.248 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.453 6.853 12.707 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.923 8.491 13.171 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.276 9.624 9.852 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.387 10.054 11.562 1.00 0.00 H new ATOM 607 N GLY A 43 -8.101 5.045 5.821 1.00 0.00 N ATOM 608 CA GLY A 43 -7.109 5.684 4.977 1.00 0.00 C ATOM 609 C GLY A 43 -7.498 5.672 3.512 1.00 0.00 C ATOM 610 O GLY A 43 -7.387 6.686 2.824 1.00 0.00 O ATOM 0 H GLY A 43 -7.798 4.172 6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.968 6.714 5.304 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.152 5.177 5.099 1.00 0.00 H new ATOM 614 N GLY A 44 -7.955 4.519 3.032 1.00 0.00 N ATOM 615 CA GLY A 44 -8.353 4.399 1.642 1.00 0.00 C ATOM 616 C GLY A 44 -7.760 3.176 0.972 1.00 0.00 C ATOM 617 O GLY A 44 -7.542 3.168 -0.240 1.00 0.00 O ATOM 0 H GLY A 44 -8.057 3.666 3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.440 4.351 1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.043 5.292 1.100 1.00 0.00 H new ATOM 621 N ILE A 45 -7.496 2.140 1.761 1.00 0.00 N ATOM 622 CA ILE A 45 -6.923 0.907 1.237 1.00 0.00 C ATOM 623 C ILE A 45 -7.995 0.033 0.594 1.00 0.00 C ATOM 624 O ILE A 45 -9.073 -0.159 1.156 1.00 0.00 O ATOM 625 CB ILE A 45 -6.215 0.101 2.341 1.00 0.00 C ATOM 626 CG1 ILE A 45 -5.073 0.919 2.947 1.00 0.00 C ATOM 627 CG2 ILE A 45 -5.693 -1.215 1.784 1.00 0.00 C ATOM 628 CD1 ILE A 45 -4.200 1.596 1.913 1.00 0.00 C ATOM 0 H ILE A 45 -7.670 2.130 2.766 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.191 1.195 0.483 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.936 -0.120 3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.491 1.677 3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.454 0.265 3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.195 -1.774 2.577 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.526 -1.801 1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.984 -1.014 0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.412 2.158 2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.753 0.842 1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.806 2.276 1.314 1.00 0.00 H new ATOM 640 N ARG A 46 -7.691 -0.495 -0.587 1.00 0.00 N ATOM 641 CA ARG A 46 -8.628 -1.349 -1.307 1.00 0.00 C ATOM 642 C ARG A 46 -7.960 -2.655 -1.728 1.00 0.00 C ATOM 643 O ARG A 46 -7.019 -2.656 -2.522 1.00 0.00 O ATOM 644 CB ARG A 46 -9.171 -0.622 -2.538 1.00 0.00 C ATOM 645 CG ARG A 46 -10.260 0.389 -2.218 1.00 0.00 C ATOM 646 CD ARG A 46 -11.641 -0.248 -2.260 1.00 0.00 C ATOM 647 NE ARG A 46 -11.987 -0.716 -3.599 1.00 0.00 N ATOM 648 CZ ARG A 46 -13.178 -1.210 -3.920 1.00 0.00 C ATOM 649 NH1 ARG A 46 -14.131 -1.300 -3.002 1.00 0.00 N ATOM 650 NH2 ARG A 46 -13.417 -1.615 -5.160 1.00 0.00 N ATOM 0 H ARG A 46 -6.803 -0.346 -1.066 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.455 -1.583 -0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.349 -0.111 -3.040 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.565 -1.358 -3.239 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.084 0.814 -1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.216 1.212 -2.932 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.675 -1.085 -1.563 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.384 0.476 -1.926 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.276 -0.661 -4.328 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.950 -0.990 -2.047 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.045 -1.680 -3.251 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.686 -1.547 -5.868 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.332 -1.994 -5.405 1.00 0.00 H new ATOM 664 N VAL A 47 -8.453 -3.766 -1.189 1.00 0.00 N ATOM 665 CA VAL A 47 -7.905 -5.078 -1.509 1.00 0.00 C ATOM 666 C VAL A 47 -7.958 -5.346 -3.009 1.00 0.00 C ATOM 667 O VAL A 47 -8.779 -4.773 -3.724 1.00 0.00 O ATOM 668 CB VAL A 47 -8.664 -6.198 -0.772 1.00 0.00 C ATOM 669 CG1 VAL A 47 -8.582 -5.998 0.733 1.00 0.00 C ATOM 670 CG2 VAL A 47 -10.113 -6.251 -1.233 1.00 0.00 C ATOM 0 H VAL A 47 -9.231 -3.783 -0.529 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.866 -5.075 -1.180 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.194 -7.152 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.124 -6.799 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.538 -6.014 1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.025 -5.038 0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.635 -7.048 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.597 -5.297 -1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.147 -6.446 -2.305 1.00 0.00 H new ATOM 680 N GLY A 48 -7.075 -6.222 -3.480 1.00 0.00 N ATOM 681 CA GLY A 48 -7.038 -6.550 -4.893 1.00 0.00 C ATOM 682 C GLY A 48 -5.990 -5.755 -5.646 1.00 0.00 C ATOM 683 O GLY A 48 -5.360 -6.266 -6.572 1.00 0.00 O ATOM 0 H GLY A 48 -6.385 -6.710 -2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.836 -7.615 -5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.018 -6.361 -5.332 1.00 0.00 H new ATOM 687 N HIS A 49 -5.804 -4.500 -5.249 1.00 0.00 N ATOM 688 CA HIS A 49 -4.825 -3.632 -5.894 1.00 0.00 C ATOM 689 C HIS A 49 -3.412 -3.963 -5.424 1.00 0.00 C ATOM 690 O HIS A 49 -3.189 -4.246 -4.246 1.00 0.00 O ATOM 691 CB HIS A 49 -5.142 -2.165 -5.602 1.00 0.00 C ATOM 692 CG HIS A 49 -6.352 -1.658 -6.325 1.00 0.00 C ATOM 693 ND1 HIS A 49 -6.515 -0.337 -6.683 1.00 0.00 N ATOM 694 CD2 HIS A 49 -7.460 -2.304 -6.757 1.00 0.00 C ATOM 695 CE1 HIS A 49 -7.672 -0.191 -7.304 1.00 0.00 C ATOM 696 NE2 HIS A 49 -8.265 -1.371 -7.362 1.00 0.00 N ATOM 0 H HIS A 49 -6.318 -4.062 -4.485 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.880 -3.800 -6.970 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.291 -2.041 -4.529 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.282 -1.554 -5.877 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.671 -3.357 -6.646 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.066 0.735 -7.697 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.173 -1.558 -7.787 1.00 0.00 H new ATOM 704 N ARG A 50 -2.461 -3.927 -6.352 1.00 0.00 N ATOM 705 CA ARG A 50 -1.070 -4.225 -6.032 1.00 0.00 C ATOM 706 C ARG A 50 -0.319 -2.957 -5.635 1.00 0.00 C ATOM 707 O ARG A 50 -0.587 -1.875 -6.159 1.00 0.00 O ATOM 708 CB ARG A 50 -0.380 -4.885 -7.227 1.00 0.00 C ATOM 709 CG ARG A 50 1.125 -5.019 -7.063 1.00 0.00 C ATOM 710 CD ARG A 50 1.831 -5.060 -8.410 1.00 0.00 C ATOM 711 NE ARG A 50 1.916 -6.417 -8.943 1.00 0.00 N ATOM 712 CZ ARG A 50 2.803 -6.793 -9.858 1.00 0.00 C ATOM 713 NH1 ARG A 50 3.676 -5.918 -10.338 1.00 0.00 N ATOM 714 NH2 ARG A 50 2.818 -8.046 -10.293 1.00 0.00 N ATOM 0 H ARG A 50 -2.628 -3.695 -7.331 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.058 -4.914 -5.187 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.810 -5.875 -7.383 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.589 -4.302 -8.124 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.504 -4.181 -6.478 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.352 -5.927 -6.504 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.298 -4.425 -9.118 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.835 -4.648 -8.306 1.00 0.00 H new ATOM 0 HE ARG A 50 1.259 -7.114 -8.594 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.668 -4.954 -10.005 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.356 -6.209 -11.040 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.148 -8.722 -9.925 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.499 -8.334 -10.995 1.00 0.00 H new ATOM 728 N ILE A 51 0.620 -3.098 -4.705 1.00 0.00 N ATOM 729 CA ILE A 51 1.408 -1.965 -4.238 1.00 0.00 C ATOM 730 C ILE A 51 2.629 -1.742 -5.124 1.00 0.00 C ATOM 731 O ILE A 51 3.480 -2.622 -5.258 1.00 0.00 O ATOM 732 CB ILE A 51 1.873 -2.163 -2.784 1.00 0.00 C ATOM 733 CG1 ILE A 51 0.666 -2.315 -1.856 1.00 0.00 C ATOM 734 CG2 ILE A 51 2.744 -0.997 -2.342 1.00 0.00 C ATOM 735 CD1 ILE A 51 -0.283 -1.138 -1.902 1.00 0.00 C ATOM 0 H ILE A 51 0.853 -3.986 -4.260 1.00 0.00 H new ATOM 0 HA ILE A 51 0.761 -1.089 -4.288 1.00 0.00 H new ATOM 0 HB ILE A 51 2.467 -3.075 -2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.122 -3.221 -2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.019 -2.447 -0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.064 -1.152 -1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.619 -0.931 -2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.173 -0.071 -2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.115 -1.314 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.245 -0.233 -1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.665 -1.018 -2.916 1.00 0.00 H new ATOM 747 N ILE A 52 2.709 -0.561 -5.727 1.00 0.00 N ATOM 748 CA ILE A 52 3.827 -0.222 -6.598 1.00 0.00 C ATOM 749 C ILE A 52 4.756 0.788 -5.932 1.00 0.00 C ATOM 750 O ILE A 52 5.940 0.867 -6.260 1.00 0.00 O ATOM 751 CB ILE A 52 3.341 0.353 -7.941 1.00 0.00 C ATOM 752 CG1 ILE A 52 2.454 1.578 -7.706 1.00 0.00 C ATOM 753 CG2 ILE A 52 2.589 -0.708 -8.730 1.00 0.00 C ATOM 754 CD1 ILE A 52 2.108 2.326 -8.974 1.00 0.00 C ATOM 0 H ILE A 52 2.012 0.178 -5.628 1.00 0.00 H new ATOM 0 HA ILE A 52 4.373 -1.147 -6.785 1.00 0.00 H new ATOM 0 HB ILE A 52 4.210 0.663 -8.522 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.532 1.261 -7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.961 2.257 -7.020 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.252 -0.286 -9.677 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.249 -1.553 -8.924 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.726 -1.046 -8.155 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.478 3.181 -8.731 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.023 2.674 -9.452 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.573 1.662 -9.653 1.00 0.00 H new ATOM 766 N GLU A 53 4.211 1.557 -4.995 1.00 0.00 N ATOM 767 CA GLU A 53 4.992 2.562 -4.282 1.00 0.00 C ATOM 768 C GLU A 53 4.493 2.723 -2.849 1.00 0.00 C ATOM 769 O GLU A 53 3.306 2.549 -2.571 1.00 0.00 O ATOM 770 CB GLU A 53 4.923 3.905 -5.012 1.00 0.00 C ATOM 771 CG GLU A 53 5.981 4.898 -4.559 1.00 0.00 C ATOM 772 CD GLU A 53 5.579 6.337 -4.819 1.00 0.00 C ATOM 773 OE1 GLU A 53 5.666 6.777 -5.984 1.00 0.00 O ATOM 774 OE2 GLU A 53 5.177 7.023 -3.856 1.00 0.00 O ATOM 0 H GLU A 53 3.233 1.504 -4.712 1.00 0.00 H new ATOM 0 HA GLU A 53 6.028 2.226 -4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.032 3.733 -6.083 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.936 4.342 -4.859 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.168 4.764 -3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.917 4.687 -5.076 1.00 0.00 H new ATOM 781 N ILE A 54 5.407 3.056 -1.944 1.00 0.00 N ATOM 782 CA ILE A 54 5.061 3.241 -0.541 1.00 0.00 C ATOM 783 C ILE A 54 5.927 4.318 0.102 1.00 0.00 C ATOM 784 O ILE A 54 7.138 4.365 -0.111 1.00 0.00 O ATOM 785 CB ILE A 54 5.216 1.931 0.255 1.00 0.00 C ATOM 786 CG1 ILE A 54 6.694 1.559 0.384 1.00 0.00 C ATOM 787 CG2 ILE A 54 4.438 0.809 -0.416 1.00 0.00 C ATOM 788 CD1 ILE A 54 7.359 2.145 1.610 1.00 0.00 C ATOM 0 H ILE A 54 6.393 3.203 -2.158 1.00 0.00 H new ATOM 0 HA ILE A 54 4.017 3.553 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 54 4.810 2.080 1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.786 0.473 0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.225 1.899 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.557 -0.110 0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.382 1.075 -0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.817 0.657 -1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.405 1.840 1.637 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.299 3.233 1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.853 1.785 2.506 1.00 0.00 H new ATOM 800 N ASN A 55 5.298 5.183 0.892 1.00 0.00 N ATOM 801 CA ASN A 55 6.012 6.260 1.567 1.00 0.00 C ATOM 802 C ASN A 55 7.024 6.913 0.631 1.00 0.00 C ATOM 803 O ASN A 55 8.141 7.235 1.034 1.00 0.00 O ATOM 804 CB ASN A 55 6.722 5.727 2.813 1.00 0.00 C ATOM 805 CG ASN A 55 5.750 5.226 3.863 1.00 0.00 C ATOM 806 OD1 ASN A 55 4.945 5.990 4.394 1.00 0.00 O ATOM 807 ND2 ASN A 55 5.822 3.935 4.168 1.00 0.00 N ATOM 0 H ASN A 55 4.296 5.159 1.080 1.00 0.00 H new ATOM 0 HA ASN A 55 5.283 7.013 1.867 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.393 4.917 2.527 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.340 6.516 3.241 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.194 3.541 4.868 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.506 3.338 3.702 1.00 0.00 H new ATOM 814 N GLY A 56 6.624 7.107 -0.622 1.00 0.00 N ATOM 815 CA GLY A 56 7.507 7.721 -1.596 1.00 0.00 C ATOM 816 C GLY A 56 8.674 6.828 -1.965 1.00 0.00 C ATOM 817 O GLY A 56 9.810 7.291 -2.064 1.00 0.00 O ATOM 0 H GLY A 56 5.704 6.850 -0.980 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.940 7.962 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.886 8.662 -1.196 1.00 0.00 H new ATOM 821 N GLN A 57 8.395 5.544 -2.166 1.00 0.00 N ATOM 822 CA GLN A 57 9.432 4.584 -2.523 1.00 0.00 C ATOM 823 C GLN A 57 8.919 3.586 -3.556 1.00 0.00 C ATOM 824 O GLN A 57 7.906 2.920 -3.340 1.00 0.00 O ATOM 825 CB GLN A 57 9.920 3.841 -1.278 1.00 0.00 C ATOM 826 CG GLN A 57 10.660 4.730 -0.290 1.00 0.00 C ATOM 827 CD GLN A 57 12.103 4.969 -0.688 1.00 0.00 C ATOM 828 OE1 GLN A 57 12.419 5.101 -1.871 1.00 0.00 O ATOM 829 NE2 GLN A 57 12.988 5.025 0.300 1.00 0.00 N ATOM 0 H GLN A 57 7.460 5.145 -2.088 1.00 0.00 H new ATOM 0 HA GLN A 57 10.265 5.135 -2.959 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.065 3.388 -0.777 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.577 3.027 -1.585 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.145 5.688 -0.212 1.00 0.00 H new ATOM 0 HG3 GLN A 57 10.631 4.271 0.698 1.00 0.00 H new ATOM 0 HE21 GLN A 57 12.682 4.910 1.266 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.974 5.183 0.093 1.00 0.00 H new ATOM 838 N SER A 58 9.623 3.489 -4.679 1.00 0.00 N ATOM 839 CA SER A 58 9.235 2.575 -5.747 1.00 0.00 C ATOM 840 C SER A 58 9.479 1.126 -5.338 1.00 0.00 C ATOM 841 O SER A 58 10.622 0.686 -5.217 1.00 0.00 O ATOM 842 CB SER A 58 10.013 2.893 -7.026 1.00 0.00 C ATOM 843 OG SER A 58 11.409 2.768 -6.818 1.00 0.00 O ATOM 0 H SER A 58 10.465 4.032 -4.873 1.00 0.00 H new ATOM 0 HA SER A 58 8.169 2.707 -5.935 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.699 2.219 -7.823 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.780 3.906 -7.355 1.00 0.00 H new ATOM 0 HG SER A 58 11.583 2.022 -6.207 1.00 0.00 H new ATOM 849 N VAL A 59 8.394 0.387 -5.125 1.00 0.00 N ATOM 850 CA VAL A 59 8.488 -1.013 -4.729 1.00 0.00 C ATOM 851 C VAL A 59 7.650 -1.899 -5.644 1.00 0.00 C ATOM 852 O VAL A 59 7.053 -2.880 -5.200 1.00 0.00 O ATOM 853 CB VAL A 59 8.029 -1.217 -3.273 1.00 0.00 C ATOM 854 CG1 VAL A 59 8.892 -0.403 -2.322 1.00 0.00 C ATOM 855 CG2 VAL A 59 6.561 -0.849 -3.121 1.00 0.00 C ATOM 0 H VAL A 59 7.440 0.735 -5.220 1.00 0.00 H new ATOM 0 HA VAL A 59 9.537 -1.297 -4.814 1.00 0.00 H new ATOM 0 HB VAL A 59 8.144 -2.271 -3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.553 -0.560 -1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.931 -0.719 -2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.812 0.655 -2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.254 -0.999 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.418 0.196 -3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.958 -1.480 -3.774 1.00 0.00 H new ATOM 865 N VAL A 60 7.610 -1.548 -6.925 1.00 0.00 N ATOM 866 CA VAL A 60 6.846 -2.312 -7.904 1.00 0.00 C ATOM 867 C VAL A 60 7.460 -3.690 -8.125 1.00 0.00 C ATOM 868 O VAL A 60 6.785 -4.616 -8.575 1.00 0.00 O ATOM 869 CB VAL A 60 6.768 -1.575 -9.254 1.00 0.00 C ATOM 870 CG1 VAL A 60 8.159 -1.191 -9.735 1.00 0.00 C ATOM 871 CG2 VAL A 60 6.056 -2.434 -10.289 1.00 0.00 C ATOM 0 H VAL A 60 8.098 -0.739 -7.309 1.00 0.00 H new ATOM 0 HA VAL A 60 5.839 -2.425 -7.502 1.00 0.00 H new ATOM 0 HB VAL A 60 6.192 -0.660 -9.115 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.083 -0.671 -10.690 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.630 -0.536 -9.002 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.763 -2.090 -9.858 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.010 -1.898 -11.237 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.603 -3.367 -10.426 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.045 -2.653 -9.946 1.00 0.00 H new ATOM 881 N ALA A 61 8.743 -3.819 -7.805 1.00 0.00 N ATOM 882 CA ALA A 61 9.448 -5.085 -7.965 1.00 0.00 C ATOM 883 C ALA A 61 9.924 -5.622 -6.620 1.00 0.00 C ATOM 884 O ALA A 61 9.845 -6.823 -6.355 1.00 0.00 O ATOM 885 CB ALA A 61 10.624 -4.918 -8.916 1.00 0.00 C ATOM 0 H ALA A 61 9.316 -3.062 -7.433 1.00 0.00 H new ATOM 0 HA ALA A 61 8.752 -5.809 -8.389 1.00 0.00 H new ATOM 0 HB1 ALA A 61 11.141 -5.871 -9.026 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.261 -4.588 -9.889 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.314 -4.175 -8.515 1.00 0.00 H new ATOM 891 N THR A 62 10.421 -4.727 -5.773 1.00 0.00 N ATOM 892 CA THR A 62 10.913 -5.111 -4.456 1.00 0.00 C ATOM 893 C THR A 62 10.097 -6.262 -3.879 1.00 0.00 C ATOM 894 O THR A 62 8.869 -6.291 -3.968 1.00 0.00 O ATOM 895 CB THR A 62 10.873 -3.926 -3.473 1.00 0.00 C ATOM 896 OG1 THR A 62 11.688 -2.856 -3.964 1.00 0.00 O ATOM 897 CG2 THR A 62 11.359 -4.349 -2.095 1.00 0.00 C ATOM 0 H THR A 62 10.494 -3.730 -5.976 1.00 0.00 H new ATOM 0 HA THR A 62 11.947 -5.431 -4.586 1.00 0.00 H new ATOM 0 HB THR A 62 9.841 -3.587 -3.388 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.656 -2.105 -3.335 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.322 -3.495 -1.418 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.719 -5.144 -1.712 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.385 -4.711 -2.166 1.00 0.00 H new ATOM 905 N PRO A 63 10.792 -7.236 -3.271 1.00 0.00 N ATOM 906 CA PRO A 63 10.151 -8.407 -2.666 1.00 0.00 C ATOM 907 C PRO A 63 9.362 -8.052 -1.411 1.00 0.00 C ATOM 908 O PRO A 63 9.797 -7.230 -0.604 1.00 0.00 O ATOM 909 CB PRO A 63 11.331 -9.317 -2.317 1.00 0.00 C ATOM 910 CG PRO A 63 12.488 -8.391 -2.156 1.00 0.00 C ATOM 911 CD PRO A 63 12.257 -7.267 -3.128 1.00 0.00 C ATOM 0 HA PRO A 63 9.425 -8.866 -3.337 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.142 -9.877 -1.401 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.515 -10.047 -3.105 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.549 -8.017 -1.134 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.428 -8.901 -2.365 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.644 -6.321 -2.748 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.750 -7.453 -4.082 1.00 0.00 H new ATOM 919 N HIS A 64 8.200 -8.678 -1.251 1.00 0.00 N ATOM 920 CA HIS A 64 7.351 -8.428 -0.091 1.00 0.00 C ATOM 921 C HIS A 64 8.190 -8.275 1.174 1.00 0.00 C ATOM 922 O HIS A 64 8.088 -7.272 1.880 1.00 0.00 O ATOM 923 CB HIS A 64 6.345 -9.566 0.085 1.00 0.00 C ATOM 924 CG HIS A 64 5.655 -9.555 1.414 1.00 0.00 C ATOM 925 ND1 HIS A 64 4.284 -9.600 1.551 1.00 0.00 N ATOM 926 CD2 HIS A 64 6.156 -9.507 2.671 1.00 0.00 C ATOM 927 CE1 HIS A 64 3.971 -9.577 2.835 1.00 0.00 C ATOM 928 NE2 HIS A 64 5.089 -9.522 3.535 1.00 0.00 N ATOM 0 H HIS A 64 7.825 -9.361 -1.909 1.00 0.00 H new ATOM 0 HA HIS A 64 6.810 -7.497 -0.261 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.596 -9.503 -0.705 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.861 -10.518 -0.040 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.616 -9.644 0.782 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.200 -9.465 2.943 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.971 -9.599 3.242 1.00 0.00 H new ATOM 936 N ALA A 65 9.017 -9.276 1.454 1.00 0.00 N ATOM 937 CA ALA A 65 9.874 -9.252 2.633 1.00 0.00 C ATOM 938 C ALA A 65 10.412 -7.848 2.892 1.00 0.00 C ATOM 939 O ALA A 65 10.263 -7.309 3.989 1.00 0.00 O ATOM 940 CB ALA A 65 11.022 -10.237 2.472 1.00 0.00 C ATOM 0 H ALA A 65 9.112 -10.114 0.881 1.00 0.00 H new ATOM 0 HA ALA A 65 9.274 -9.548 3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.653 -10.208 3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.623 -11.243 2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.613 -9.967 1.597 1.00 0.00 H new ATOM 946 N ARG A 66 11.037 -7.262 1.876 1.00 0.00 N ATOM 947 CA ARG A 66 11.598 -5.922 1.995 1.00 0.00 C ATOM 948 C ARG A 66 10.492 -4.877 2.102 1.00 0.00 C ATOM 949 O ARG A 66 10.534 -4.000 2.966 1.00 0.00 O ATOM 950 CB ARG A 66 12.493 -5.612 0.794 1.00 0.00 C ATOM 951 CG ARG A 66 12.915 -4.155 0.709 1.00 0.00 C ATOM 952 CD ARG A 66 13.758 -3.748 1.908 1.00 0.00 C ATOM 953 NE ARG A 66 14.705 -2.687 1.576 1.00 0.00 N ATOM 954 CZ ARG A 66 15.822 -2.889 0.887 1.00 0.00 C ATOM 955 NH1 ARG A 66 16.130 -4.105 0.458 1.00 0.00 N ATOM 956 NH2 ARG A 66 16.634 -1.873 0.625 1.00 0.00 N ATOM 0 H ARG A 66 11.167 -7.694 0.961 1.00 0.00 H new ATOM 0 HA ARG A 66 12.197 -5.886 2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.384 -6.237 0.845 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.966 -5.883 -0.121 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.482 -3.992 -0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.030 -3.521 0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.105 -3.412 2.713 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.302 -4.616 2.280 1.00 0.00 H new ATOM 0 HE ARG A 66 14.497 -1.739 1.890 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.508 -4.889 0.657 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.989 -4.257 -0.071 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.400 -0.936 0.953 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.492 -2.029 0.096 1.00 0.00 H new ATOM 970 N ILE A 67 9.504 -4.976 1.219 1.00 0.00 N ATOM 971 CA ILE A 67 8.387 -4.039 1.214 1.00 0.00 C ATOM 972 C ILE A 67 7.851 -3.817 2.624 1.00 0.00 C ATOM 973 O ILE A 67 7.532 -2.691 3.007 1.00 0.00 O ATOM 974 CB ILE A 67 7.241 -4.535 0.314 1.00 0.00 C ATOM 975 CG1 ILE A 67 7.610 -4.362 -1.161 1.00 0.00 C ATOM 976 CG2 ILE A 67 5.954 -3.789 0.635 1.00 0.00 C ATOM 977 CD1 ILE A 67 6.718 -5.140 -2.102 1.00 0.00 C ATOM 0 H ILE A 67 9.454 -5.696 0.498 1.00 0.00 H new ATOM 0 HA ILE A 67 8.766 -3.097 0.819 1.00 0.00 H new ATOM 0 HB ILE A 67 7.081 -5.596 0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.560 -3.304 -1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.643 -4.678 -1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.153 -4.151 -0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.685 -3.959 1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.100 -2.722 0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.038 -4.970 -3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.786 -6.203 -1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.687 -4.808 -1.983 1.00 0.00 H new ATOM 989 N ILE A 68 7.757 -4.896 3.393 1.00 0.00 N ATOM 990 CA ILE A 68 7.263 -4.818 4.762 1.00 0.00 C ATOM 991 C ILE A 68 8.173 -3.952 5.627 1.00 0.00 C ATOM 992 O ILE A 68 7.712 -3.036 6.306 1.00 0.00 O ATOM 993 CB ILE A 68 7.146 -6.215 5.399 1.00 0.00 C ATOM 994 CG1 ILE A 68 6.296 -7.132 4.518 1.00 0.00 C ATOM 995 CG2 ILE A 68 6.551 -6.113 6.796 1.00 0.00 C ATOM 996 CD1 ILE A 68 4.808 -6.973 4.739 1.00 0.00 C ATOM 0 H ILE A 68 8.017 -5.835 3.091 1.00 0.00 H new ATOM 0 HA ILE A 68 6.273 -4.365 4.714 1.00 0.00 H new ATOM 0 HB ILE A 68 8.144 -6.645 5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.523 -6.930 3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.575 -8.168 4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.475 -7.109 7.233 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.193 -5.491 7.420 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.559 -5.666 6.737 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.268 -7.654 4.081 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.568 -7.204 5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.515 -5.947 4.519 1.00 0.00 H new ATOM 1008 N GLU A 69 9.469 -4.248 5.594 1.00 0.00 N ATOM 1009 CA GLU A 69 10.444 -3.495 6.374 1.00 0.00 C ATOM 1010 C GLU A 69 10.316 -1.998 6.106 1.00 0.00 C ATOM 1011 O GLU A 69 10.534 -1.176 6.997 1.00 0.00 O ATOM 1012 CB GLU A 69 11.863 -3.963 6.047 1.00 0.00 C ATOM 1013 CG GLU A 69 12.346 -5.104 6.926 1.00 0.00 C ATOM 1014 CD GLU A 69 12.943 -4.621 8.234 1.00 0.00 C ATOM 1015 OE1 GLU A 69 13.440 -3.476 8.272 1.00 0.00 O ATOM 1016 OE2 GLU A 69 12.912 -5.388 9.219 1.00 0.00 O ATOM 0 H GLU A 69 9.867 -5.003 5.036 1.00 0.00 H new ATOM 0 HA GLU A 69 10.244 -3.676 7.430 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.901 -4.278 5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.547 -3.121 6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.512 -5.773 7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.092 -5.685 6.383 1.00 0.00 H new ATOM 1023 N LEU A 70 9.961 -1.652 4.874 1.00 0.00 N ATOM 1024 CA LEU A 70 9.804 -0.254 4.487 1.00 0.00 C ATOM 1025 C LEU A 70 8.585 0.364 5.163 1.00 0.00 C ATOM 1026 O LEU A 70 8.705 1.324 5.925 1.00 0.00 O ATOM 1027 CB LEU A 70 9.673 -0.137 2.967 1.00 0.00 C ATOM 1028 CG LEU A 70 10.979 -0.194 2.175 1.00 0.00 C ATOM 1029 CD1 LEU A 70 10.701 -0.120 0.681 1.00 0.00 C ATOM 1030 CD2 LEU A 70 11.912 0.930 2.602 1.00 0.00 C ATOM 0 H LEU A 70 9.776 -2.320 4.126 1.00 0.00 H new ATOM 0 HA LEU A 70 10.691 0.290 4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.023 -0.938 2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.172 0.804 2.737 1.00 0.00 H new ATOM 0 HG LEU A 70 11.468 -1.145 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.642 -0.162 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.072 -0.960 0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.189 0.815 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.837 0.873 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.431 1.891 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.138 0.832 3.664 1.00 0.00 H new ATOM 1042 N LEU A 71 7.412 -0.193 4.881 1.00 0.00 N ATOM 1043 CA LEU A 71 6.170 0.302 5.464 1.00 0.00 C ATOM 1044 C LEU A 71 6.289 0.420 6.980 1.00 0.00 C ATOM 1045 O LEU A 71 5.918 1.438 7.566 1.00 0.00 O ATOM 1046 CB LEU A 71 5.009 -0.626 5.103 1.00 0.00 C ATOM 1047 CG LEU A 71 4.342 -0.371 3.750 1.00 0.00 C ATOM 1048 CD1 LEU A 71 3.404 -1.514 3.394 1.00 0.00 C ATOM 1049 CD2 LEU A 71 3.591 0.952 3.766 1.00 0.00 C ATOM 0 H LEU A 71 7.295 -0.988 4.252 1.00 0.00 H new ATOM 0 HA LEU A 71 5.975 1.294 5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.373 -1.653 5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.250 -0.545 5.881 1.00 0.00 H new ATOM 0 HG LEU A 71 5.120 -0.315 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.939 -1.315 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.969 -2.445 3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.632 -1.602 4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.123 1.117 2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.823 0.925 4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.288 1.764 3.975 1.00 0.00 H new ATOM 1061 N THR A 72 6.811 -0.627 7.611 1.00 0.00 N ATOM 1062 CA THR A 72 6.981 -0.641 9.058 1.00 0.00 C ATOM 1063 C THR A 72 7.804 0.553 9.527 1.00 0.00 C ATOM 1064 O THR A 72 7.493 1.171 10.545 1.00 0.00 O ATOM 1065 CB THR A 72 7.663 -1.938 9.532 1.00 0.00 C ATOM 1066 OG1 THR A 72 6.895 -3.074 9.120 1.00 0.00 O ATOM 1067 CG2 THR A 72 7.819 -1.947 11.045 1.00 0.00 C ATOM 0 H THR A 72 7.124 -1.477 7.142 1.00 0.00 H new ATOM 0 HA THR A 72 5.983 -0.584 9.493 1.00 0.00 H new ATOM 0 HB THR A 72 8.654 -1.986 9.081 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.036 -3.234 8.164 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.303 -2.873 11.355 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.429 -1.098 11.353 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.837 -1.877 11.512 1.00 0.00 H new ATOM 1075 N GLU A 73 8.854 0.873 8.778 1.00 0.00 N ATOM 1076 CA GLU A 73 9.722 1.994 9.119 1.00 0.00 C ATOM 1077 C GLU A 73 8.948 3.309 9.090 1.00 0.00 C ATOM 1078 O GLU A 73 9.324 4.277 9.750 1.00 0.00 O ATOM 1079 CB GLU A 73 10.905 2.065 8.151 1.00 0.00 C ATOM 1080 CG GLU A 73 12.075 1.184 8.554 1.00 0.00 C ATOM 1081 CD GLU A 73 13.405 1.716 8.057 1.00 0.00 C ATOM 1082 OE1 GLU A 73 13.686 2.912 8.282 1.00 0.00 O ATOM 1083 OE2 GLU A 73 14.164 0.938 7.442 1.00 0.00 O ATOM 0 H GLU A 73 9.124 0.372 7.931 1.00 0.00 H new ATOM 0 HA GLU A 73 10.098 1.835 10.130 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.568 1.774 7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.246 3.098 8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.105 1.100 9.640 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.920 0.179 8.161 1.00 0.00 H new ATOM 1090 N ALA A 74 7.865 3.335 8.321 1.00 0.00 N ATOM 1091 CA ALA A 74 7.037 4.529 8.207 1.00 0.00 C ATOM 1092 C ALA A 74 6.167 4.714 9.446 1.00 0.00 C ATOM 1093 O ALA A 74 5.556 3.764 9.934 1.00 0.00 O ATOM 1094 CB ALA A 74 6.170 4.453 6.958 1.00 0.00 C ATOM 0 H ALA A 74 7.540 2.542 7.767 1.00 0.00 H new ATOM 0 HA ALA A 74 7.697 5.392 8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.557 5.351 6.886 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.807 4.377 6.077 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.524 3.577 7.016 1.00 0.00 H new ATOM 1100 N TYR A 75 6.117 5.943 9.949 1.00 0.00 N ATOM 1101 CA TYR A 75 5.325 6.252 11.133 1.00 0.00 C ATOM 1102 C TYR A 75 4.264 7.302 10.820 1.00 0.00 C ATOM 1103 O TYR A 75 4.283 7.923 9.758 1.00 0.00 O ATOM 1104 CB TYR A 75 6.230 6.745 12.264 1.00 0.00 C ATOM 1105 CG TYR A 75 7.550 6.013 12.346 1.00 0.00 C ATOM 1106 CD1 TYR A 75 7.663 4.821 13.051 1.00 0.00 C ATOM 1107 CD2 TYR A 75 8.685 6.513 11.719 1.00 0.00 C ATOM 1108 CE1 TYR A 75 8.868 4.149 13.130 1.00 0.00 C ATOM 1109 CE2 TYR A 75 9.893 5.847 11.791 1.00 0.00 C ATOM 1110 CZ TYR A 75 9.979 4.666 12.498 1.00 0.00 C ATOM 1111 OH TYR A 75 11.181 4.000 12.573 1.00 0.00 O ATOM 0 H TYR A 75 6.616 6.741 9.555 1.00 0.00 H new ATOM 0 HA TYR A 75 4.823 5.339 11.451 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.422 7.809 12.127 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.704 6.636 13.213 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.794 4.413 13.546 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.621 7.438 11.166 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.939 3.224 13.684 1.00 0.00 H new ATOM 0 HE2 TYR A 75 10.765 6.249 11.297 1.00 0.00 H new ATOM 0 HH TYR A 75 11.862 4.497 12.073 1.00 0.00 H new ATOM 1121 N GLY A 76 3.339 7.497 11.755 1.00 0.00 N ATOM 1122 CA GLY A 76 2.283 8.473 11.562 1.00 0.00 C ATOM 1123 C GLY A 76 1.700 8.427 10.163 1.00 0.00 C ATOM 1124 O GLY A 76 0.978 7.493 9.816 1.00 0.00 O ATOM 0 H GLY A 76 3.302 6.996 12.643 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.490 8.295 12.289 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.675 9.471 11.756 1.00 0.00 H new ATOM 1128 N GLU A 77 2.012 9.439 9.360 1.00 0.00 N ATOM 1129 CA GLU A 77 1.511 9.511 7.992 1.00 0.00 C ATOM 1130 C GLU A 77 2.214 8.490 7.102 1.00 0.00 C ATOM 1131 O GLU A 77 3.381 8.657 6.748 1.00 0.00 O ATOM 1132 CB GLU A 77 1.708 10.919 7.426 1.00 0.00 C ATOM 1133 CG GLU A 77 0.740 11.266 6.308 1.00 0.00 C ATOM 1134 CD GLU A 77 0.625 12.760 6.079 1.00 0.00 C ATOM 1135 OE1 GLU A 77 0.454 13.501 7.070 1.00 0.00 O ATOM 1136 OE2 GLU A 77 0.707 13.190 4.909 1.00 0.00 O ATOM 0 H GLU A 77 2.609 10.220 9.633 1.00 0.00 H new ATOM 0 HA GLU A 77 0.446 9.281 8.009 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.595 11.644 8.232 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.728 11.013 7.054 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.068 10.785 5.386 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.244 10.862 6.546 1.00 0.00 H new ATOM 1143 N VAL A 78 1.494 7.431 6.743 1.00 0.00 N ATOM 1144 CA VAL A 78 2.046 6.383 5.894 1.00 0.00 C ATOM 1145 C VAL A 78 1.390 6.388 4.518 1.00 0.00 C ATOM 1146 O VAL A 78 0.268 5.906 4.352 1.00 0.00 O ATOM 1147 CB VAL A 78 1.869 4.992 6.531 1.00 0.00 C ATOM 1148 CG1 VAL A 78 2.253 3.900 5.545 1.00 0.00 C ATOM 1149 CG2 VAL A 78 2.689 4.883 7.807 1.00 0.00 C ATOM 0 H VAL A 78 0.527 7.277 7.028 1.00 0.00 H new ATOM 0 HA VAL A 78 3.110 6.591 5.786 1.00 0.00 H new ATOM 0 HB VAL A 78 0.818 4.861 6.789 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.121 2.924 6.013 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.618 3.967 4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.296 4.024 5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.552 3.894 8.244 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.743 5.035 7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.360 5.642 8.517 1.00 0.00 H new ATOM 1159 N HIS A 79 2.096 6.934 3.533 1.00 0.00 N ATOM 1160 CA HIS A 79 1.582 7.000 2.169 1.00 0.00 C ATOM 1161 C HIS A 79 1.685 5.641 1.483 1.00 0.00 C ATOM 1162 O HIS A 79 2.653 4.907 1.683 1.00 0.00 O ATOM 1163 CB HIS A 79 2.346 8.051 1.364 1.00 0.00 C ATOM 1164 CG HIS A 79 2.258 9.430 1.942 1.00 0.00 C ATOM 1165 ND1 HIS A 79 1.846 10.526 1.214 1.00 0.00 N ATOM 1166 CD2 HIS A 79 2.530 9.887 3.187 1.00 0.00 C ATOM 1167 CE1 HIS A 79 1.870 11.598 1.985 1.00 0.00 C ATOM 1168 NE2 HIS A 79 2.281 11.238 3.188 1.00 0.00 N ATOM 0 H HIS A 79 3.025 7.337 3.653 1.00 0.00 H new ATOM 0 HA HIS A 79 0.531 7.284 2.216 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.394 7.758 1.302 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.959 8.068 0.345 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.878 9.299 4.023 1.00 0.00 H new ATOM 0 HE1 HIS A 79 1.600 12.599 1.683 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.395 11.862 3.987 1.00 0.00 H new ATOM 1176 N ILE A 80 0.682 5.314 0.676 1.00 0.00 N ATOM 1177 CA ILE A 80 0.661 4.044 -0.040 1.00 0.00 C ATOM 1178 C ILE A 80 -0.022 4.188 -1.395 1.00 0.00 C ATOM 1179 O ILE A 80 -1.228 4.426 -1.473 1.00 0.00 O ATOM 1180 CB ILE A 80 -0.059 2.952 0.773 1.00 0.00 C ATOM 1181 CG1 ILE A 80 0.770 2.569 2.000 1.00 0.00 C ATOM 1182 CG2 ILE A 80 -0.323 1.732 -0.097 1.00 0.00 C ATOM 1183 CD1 ILE A 80 -0.012 1.796 3.040 1.00 0.00 C ATOM 0 H ILE A 80 -0.127 5.910 0.501 1.00 0.00 H new ATOM 0 HA ILE A 80 1.699 3.749 -0.190 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.017 3.345 1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.623 1.971 1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.169 3.475 2.456 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.832 0.969 0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.950 2.017 -0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.624 1.335 -0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.638 1.558 3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.850 2.400 3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.389 0.873 2.600 1.00 0.00 H new ATOM 1195 N LYS A 81 0.755 4.040 -2.462 1.00 0.00 N ATOM 1196 CA LYS A 81 0.226 4.149 -3.817 1.00 0.00 C ATOM 1197 C LYS A 81 -0.255 2.794 -4.324 1.00 0.00 C ATOM 1198 O LYS A 81 0.547 1.902 -4.601 1.00 0.00 O ATOM 1199 CB LYS A 81 1.294 4.709 -4.760 1.00 0.00 C ATOM 1200 CG LYS A 81 0.730 5.253 -6.061 1.00 0.00 C ATOM 1201 CD LYS A 81 1.674 6.259 -6.700 1.00 0.00 C ATOM 1202 CE LYS A 81 1.386 7.674 -6.222 1.00 0.00 C ATOM 1203 NZ LYS A 81 0.329 8.331 -7.041 1.00 0.00 N ATOM 0 H LYS A 81 1.755 3.844 -2.415 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.624 4.831 -3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.838 5.503 -4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.015 3.924 -4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.551 4.430 -6.753 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.234 5.726 -5.871 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.704 5.996 -6.461 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.577 6.213 -7.785 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.073 7.648 -5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.300 8.266 -6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.678 9.247 -7.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.088 7.723 -7.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.518 8.482 -6.457 1.00 0.00 H new ATOM 1217 N THR A 82 -1.571 2.646 -4.445 1.00 0.00 N ATOM 1218 CA THR A 82 -2.159 1.400 -4.920 1.00 0.00 C ATOM 1219 C THR A 82 -2.427 1.454 -6.419 1.00 0.00 C ATOM 1220 O THR A 82 -2.804 2.495 -6.955 1.00 0.00 O ATOM 1221 CB THR A 82 -3.477 1.085 -4.186 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.380 2.190 -4.305 1.00 0.00 O ATOM 1223 CG2 THR A 82 -3.220 0.790 -2.716 1.00 0.00 C ATOM 0 H THR A 82 -2.249 3.374 -4.220 1.00 0.00 H new ATOM 0 HA THR A 82 -1.437 0.611 -4.711 1.00 0.00 H new ATOM 0 HB THR A 82 -3.921 0.202 -4.645 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.216 1.981 -3.838 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.165 0.571 -2.218 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.555 -0.069 -2.628 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.756 1.657 -2.247 1.00 0.00 H new ATOM 1231 N MET A 83 -2.229 0.325 -7.092 1.00 0.00 N ATOM 1232 CA MET A 83 -2.451 0.244 -8.531 1.00 0.00 C ATOM 1233 C MET A 83 -2.846 -1.171 -8.942 1.00 0.00 C ATOM 1234 O MET A 83 -2.276 -2.159 -8.479 1.00 0.00 O ATOM 1235 CB MET A 83 -1.193 0.675 -9.288 1.00 0.00 C ATOM 1236 CG MET A 83 -1.345 0.621 -10.799 1.00 0.00 C ATOM 1237 SD MET A 83 -1.938 2.175 -11.494 1.00 0.00 S ATOM 1238 CE MET A 83 -0.729 2.452 -12.786 1.00 0.00 C ATOM 0 H MET A 83 -1.915 -0.546 -6.664 1.00 0.00 H new ATOM 0 HA MET A 83 -3.269 0.919 -8.785 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.932 1.691 -8.993 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.363 0.034 -8.991 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.384 0.370 -11.248 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.038 -0.178 -11.062 1.00 0.00 H new ATOM 0 HE1 MET A 83 -1.048 3.288 -13.409 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.237 2.682 -12.337 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.640 1.555 -13.399 1.00 0.00 H new ATOM 1248 N PRO A 84 -3.845 -1.273 -9.831 1.00 0.00 N ATOM 1249 CA PRO A 84 -4.338 -2.563 -10.323 1.00 0.00 C ATOM 1250 C PRO A 84 -3.330 -3.261 -11.229 1.00 0.00 C ATOM 1251 O PRO A 84 -2.896 -2.703 -12.236 1.00 0.00 O ATOM 1252 CB PRO A 84 -5.594 -2.185 -11.112 1.00 0.00 C ATOM 1253 CG PRO A 84 -5.369 -0.772 -11.529 1.00 0.00 C ATOM 1254 CD PRO A 84 -4.571 -0.137 -10.424 1.00 0.00 C ATOM 0 HA PRO A 84 -4.524 -3.265 -9.510 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.730 -2.836 -11.976 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.490 -2.279 -10.498 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.831 -0.725 -12.476 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.316 -0.252 -11.675 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.888 0.621 -10.806 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.215 0.353 -9.694 1.00 0.00 H new ATOM 1262 N ALA A 85 -2.962 -4.485 -10.865 1.00 0.00 N ATOM 1263 CA ALA A 85 -2.007 -5.260 -11.646 1.00 0.00 C ATOM 1264 C ALA A 85 -2.378 -5.258 -13.125 1.00 0.00 C ATOM 1265 O ALA A 85 -1.519 -5.089 -13.990 1.00 0.00 O ATOM 1266 CB ALA A 85 -1.929 -6.686 -11.121 1.00 0.00 C ATOM 0 H ALA A 85 -3.311 -4.961 -10.033 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.027 -4.793 -11.543 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.212 -7.253 -11.714 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.609 -6.673 -10.079 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.911 -7.154 -11.193 1.00 0.00 H new ATOM 1272 N ALA A 86 -3.663 -5.448 -13.409 1.00 0.00 N ATOM 1273 CA ALA A 86 -4.147 -5.467 -14.783 1.00 0.00 C ATOM 1274 C ALA A 86 -3.611 -4.276 -15.571 1.00 0.00 C ATOM 1275 O ALA A 86 -2.827 -4.439 -16.507 1.00 0.00 O ATOM 1276 CB ALA A 86 -5.668 -5.475 -14.807 1.00 0.00 C ATOM 0 H ALA A 86 -4.387 -5.591 -12.705 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.782 -6.378 -15.257 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.016 -5.489 -15.840 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.035 -6.360 -14.288 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.044 -4.581 -14.310 1.00 0.00 H new ATOM 1282 N THR A 87 -4.038 -3.077 -15.186 1.00 0.00 N ATOM 1283 CA THR A 87 -3.602 -1.859 -15.857 1.00 0.00 C ATOM 1284 C THR A 87 -2.095 -1.865 -16.082 1.00 0.00 C ATOM 1285 O THR A 87 -1.627 -1.856 -17.221 1.00 0.00 O ATOM 1286 CB THR A 87 -3.985 -0.605 -15.049 1.00 0.00 C ATOM 1287 OG1 THR A 87 -5.398 -0.584 -14.816 1.00 0.00 O ATOM 1288 CG2 THR A 87 -3.569 0.660 -15.784 1.00 0.00 C ATOM 0 H THR A 87 -4.685 -2.924 -14.413 1.00 0.00 H new ATOM 0 HA THR A 87 -4.110 -1.830 -16.821 1.00 0.00 H new ATOM 0 HB THR A 87 -3.460 -0.641 -14.094 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.633 0.216 -14.300 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.850 1.533 -15.194 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.489 0.655 -15.934 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.069 0.700 -16.752 1.00 0.00 H new ATOM 1296 N TYR A 88 -1.339 -1.879 -14.990 1.00 0.00 N ATOM 1297 CA TYR A 88 0.117 -1.884 -15.069 1.00 0.00 C ATOM 1298 C TYR A 88 0.600 -2.812 -16.179 1.00 0.00 C ATOM 1299 O TYR A 88 1.245 -2.375 -17.132 1.00 0.00 O ATOM 1300 CB TYR A 88 0.720 -2.315 -13.731 1.00 0.00 C ATOM 1301 CG TYR A 88 2.126 -1.805 -13.507 1.00 0.00 C ATOM 1302 CD1 TYR A 88 3.058 -1.804 -14.538 1.00 0.00 C ATOM 1303 CD2 TYR A 88 2.522 -1.324 -12.265 1.00 0.00 C ATOM 1304 CE1 TYR A 88 4.343 -1.340 -14.337 1.00 0.00 C ATOM 1305 CE2 TYR A 88 3.805 -0.857 -12.056 1.00 0.00 C ATOM 1306 CZ TYR A 88 4.712 -0.867 -13.095 1.00 0.00 C ATOM 1307 OH TYR A 88 5.991 -0.402 -12.892 1.00 0.00 O ATOM 0 H TYR A 88 -1.710 -1.887 -14.040 1.00 0.00 H new ATOM 0 HA TYR A 88 0.446 -0.871 -15.299 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.081 -1.960 -12.923 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.725 -3.404 -13.678 1.00 0.00 H new ATOM 0 HD1 TYR A 88 2.773 -2.172 -15.512 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.814 -1.315 -11.449 1.00 0.00 H new ATOM 0 HE1 TYR A 88 5.056 -1.347 -15.148 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.096 -0.486 -11.084 1.00 0.00 H new ATOM 0 HH TYR A 88 6.024 0.109 -12.057 1.00 0.00 H new ATOM 1317 N ARG A 89 0.281 -4.095 -16.049 1.00 0.00 N ATOM 1318 CA ARG A 89 0.682 -5.087 -17.040 1.00 0.00 C ATOM 1319 C ARG A 89 0.347 -4.611 -18.451 1.00 0.00 C ATOM 1320 O ARG A 89 1.141 -4.775 -19.378 1.00 0.00 O ATOM 1321 CB ARG A 89 -0.008 -6.423 -16.764 1.00 0.00 C ATOM 1322 CG ARG A 89 0.440 -7.085 -15.471 1.00 0.00 C ATOM 1323 CD ARG A 89 0.355 -8.600 -15.562 1.00 0.00 C ATOM 1324 NE ARG A 89 0.693 -9.244 -14.295 1.00 0.00 N ATOM 1325 CZ ARG A 89 1.927 -9.305 -13.807 1.00 0.00 C ATOM 1326 NH1 ARG A 89 2.935 -8.763 -14.476 1.00 0.00 N ATOM 1327 NH2 ARG A 89 2.154 -9.908 -12.647 1.00 0.00 N ATOM 0 H ARG A 89 -0.254 -4.473 -15.267 1.00 0.00 H new ATOM 0 HA ARG A 89 1.761 -5.222 -16.967 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.086 -6.265 -16.727 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.186 -7.101 -17.595 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.465 -6.790 -15.246 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.181 -6.734 -14.647 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.653 -8.889 -15.858 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.030 -8.955 -16.341 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.060 -9.670 -13.755 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.764 -8.298 -15.367 1.00 0.00 H new ATOM 0 HH12 ARG A 89 3.882 -8.811 -14.099 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.381 -10.325 -12.129 1.00 0.00 H new ATOM 0 HH22 ARG A 89 3.102 -9.954 -12.273 1.00 0.00 H new ATOM 1341 N LEU A 90 -0.833 -4.022 -18.606 1.00 0.00 N ATOM 1342 CA LEU A 90 -1.274 -3.522 -19.904 1.00 0.00 C ATOM 1343 C LEU A 90 -0.494 -2.273 -20.300 1.00 0.00 C ATOM 1344 O LEU A 90 -0.417 -1.924 -21.479 1.00 0.00 O ATOM 1345 CB LEU A 90 -2.772 -3.214 -19.872 1.00 0.00 C ATOM 1346 CG LEU A 90 -3.707 -4.398 -20.115 1.00 0.00 C ATOM 1347 CD1 LEU A 90 -5.104 -4.092 -19.597 1.00 0.00 C ATOM 1348 CD2 LEU A 90 -3.750 -4.749 -21.595 1.00 0.00 C ATOM 0 H LEU A 90 -1.502 -3.879 -17.849 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.085 -4.296 -20.647 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.012 -2.781 -18.901 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.982 -2.452 -20.622 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.320 -5.258 -19.569 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.755 -4.947 -19.779 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.059 -3.892 -18.527 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.500 -3.218 -20.114 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.421 -5.594 -21.749 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.111 -3.891 -22.162 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.749 -5.013 -21.935 1.00 0.00 H new ATOM 1360 N LEU A 91 0.085 -1.604 -19.309 1.00 0.00 N ATOM 1361 CA LEU A 91 0.862 -0.394 -19.554 1.00 0.00 C ATOM 1362 C LEU A 91 2.250 -0.736 -20.084 1.00 0.00 C ATOM 1363 O LEU A 91 2.632 -0.315 -21.176 1.00 0.00 O ATOM 1364 CB LEU A 91 0.982 0.427 -18.269 1.00 0.00 C ATOM 1365 CG LEU A 91 -0.323 0.998 -17.713 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -0.203 1.247 -16.217 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -0.696 2.282 -18.440 1.00 0.00 C ATOM 0 H LEU A 91 0.031 -1.879 -18.328 1.00 0.00 H new ATOM 0 HA LEU A 91 0.341 0.196 -20.308 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.437 -0.200 -17.502 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.668 1.254 -18.453 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.115 0.267 -17.877 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.141 1.653 -15.839 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.017 0.308 -15.708 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.602 1.958 -16.030 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.627 2.674 -18.031 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.097 3.018 -18.308 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.825 2.074 -19.502 1.00 0.00 H new