USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=9 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 26 TYR OH : rot 60:sc= 1.01 USER MOD Set 1.2: A 65 SER OG : rot 73:sc= 1.24 USER MOD Single : A 7 THR OG1 : rot -120:sc= -0.0255 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 170:sc= 0.0572 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -20:sc= 1.26 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0213 USER MOD Single : A 58 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.25) USER MOD Single : A 63 SER OG : rot -130:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0344 X(o=-0.034,f=-0.00035) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N LEU A 3 4.206 0.419 6.089 1.00 0.00 N ATOM 71 CA LEU A 3 4.036 -0.865 6.799 1.00 0.00 C ATOM 72 C LEU A 3 4.261 -2.073 5.861 1.00 0.00 C ATOM 73 O LEU A 3 4.374 -1.883 4.654 1.00 0.00 O ATOM 74 CB LEU A 3 2.635 -0.906 7.452 1.00 0.00 C ATOM 75 CG LEU A 3 2.451 -0.200 8.815 1.00 0.00 C ATOM 76 CD1 LEU A 3 3.453 -0.687 9.867 1.00 0.00 C ATOM 77 CD2 LEU A 3 2.478 1.329 8.774 1.00 0.00 C ATOM 0 HA LEU A 3 4.793 -0.937 7.580 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.926 -0.467 6.750 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.355 -1.952 7.577 1.00 0.00 H new ATOM 0 HG LEU A 3 1.439 -0.488 9.099 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.281 -0.160 10.805 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.324 -1.758 10.024 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.468 -0.490 9.521 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.340 1.722 9.781 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.437 1.666 8.381 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.676 1.690 8.131 1.00 0.00 H new ATOM 89 N ARG A 4 4.322 -3.310 6.394 1.00 0.00 N ATOM 90 CA ARG A 4 4.629 -4.546 5.634 1.00 0.00 C ATOM 91 C ARG A 4 3.477 -5.554 5.598 1.00 0.00 C ATOM 92 O ARG A 4 2.516 -5.432 6.358 1.00 0.00 O ATOM 93 CB ARG A 4 5.919 -5.201 6.169 1.00 0.00 C ATOM 94 CG ARG A 4 5.848 -5.747 7.608 1.00 0.00 C ATOM 95 CD ARG A 4 6.926 -5.169 8.538 1.00 0.00 C ATOM 96 NE ARG A 4 6.774 -3.713 8.747 1.00 0.00 N ATOM 97 CZ ARG A 4 7.464 -2.725 8.180 1.00 0.00 C ATOM 98 NH1 ARG A 4 8.426 -2.941 7.311 1.00 0.00 N ATOM 99 NH2 ARG A 4 7.185 -1.476 8.472 1.00 0.00 N ATOM 0 H ARG A 4 4.156 -3.485 7.385 1.00 0.00 H new ATOM 0 HA ARG A 4 4.781 -4.237 4.600 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.191 -6.020 5.503 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.724 -4.468 6.118 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.865 -5.526 8.024 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.946 -6.832 7.581 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.881 -5.677 9.501 1.00 0.00 H new ATOM 0 HD3 ARG A 4 7.911 -5.371 8.117 1.00 0.00 H new ATOM 0 HE ARG A 4 6.050 -3.430 9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.670 -3.896 7.047 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.929 -2.154 6.901 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.439 -1.261 9.134 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.714 -0.720 8.037 1.00 0.00 H new ATOM 113 N ILE A 5 3.616 -6.600 4.767 1.00 0.00 N ATOM 114 CA ILE A 5 2.642 -7.700 4.638 1.00 0.00 C ATOM 115 C ILE A 5 2.293 -8.289 6.008 1.00 0.00 C ATOM 116 O ILE A 5 1.119 -8.431 6.337 1.00 0.00 O ATOM 117 CB ILE A 5 3.123 -8.770 3.613 1.00 0.00 C ATOM 118 CG1 ILE A 5 1.948 -9.441 2.869 1.00 0.00 C ATOM 119 CG2 ILE A 5 4.084 -9.841 4.164 1.00 0.00 C ATOM 120 CD1 ILE A 5 0.920 -10.151 3.756 1.00 0.00 C ATOM 0 H ILE A 5 4.424 -6.708 4.154 1.00 0.00 H new ATOM 0 HA ILE A 5 1.715 -7.293 4.233 1.00 0.00 H new ATOM 0 HB ILE A 5 3.713 -8.185 2.907 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.432 -8.681 2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.355 -10.166 2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.354 -10.533 3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.984 -9.360 4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.595 -10.389 4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.140 -10.586 3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.413 -10.940 4.324 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.475 -9.432 4.444 1.00 0.00 H new ATOM 132 N ARG A 6 3.312 -8.536 6.843 1.00 0.00 N ATOM 133 CA ARG A 6 3.167 -9.060 8.202 1.00 0.00 C ATOM 134 C ARG A 6 2.230 -8.190 9.048 1.00 0.00 C ATOM 135 O ARG A 6 1.396 -8.728 9.770 1.00 0.00 O ATOM 136 CB ARG A 6 4.565 -9.230 8.832 1.00 0.00 C ATOM 137 CG ARG A 6 4.634 -10.453 9.759 1.00 0.00 C ATOM 138 CD ARG A 6 6.064 -10.676 10.275 1.00 0.00 C ATOM 139 NE ARG A 6 6.247 -12.044 10.797 1.00 0.00 N ATOM 140 CZ ARG A 6 5.906 -12.520 11.989 1.00 0.00 C ATOM 141 NH1 ARG A 6 5.361 -11.759 12.910 1.00 0.00 N ATOM 142 NH2 ARG A 6 6.113 -13.784 12.275 1.00 0.00 N ATOM 0 H ARG A 6 4.284 -8.371 6.582 1.00 0.00 H new ATOM 0 HA ARG A 6 2.693 -10.041 8.164 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.309 -9.332 8.042 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.820 -8.333 9.396 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.958 -10.313 10.602 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.295 -11.339 9.223 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.775 -10.496 9.468 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.284 -9.954 11.061 1.00 0.00 H new ATOM 0 HE ARG A 6 6.691 -12.708 10.162 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.188 -10.772 12.719 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.110 -12.155 13.816 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.536 -14.401 11.582 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.851 -14.149 13.191 1.00 0.00 H new ATOM 156 N THR A 7 2.317 -6.859 8.912 1.00 0.00 N ATOM 157 CA THR A 7 1.432 -5.885 9.564 1.00 0.00 C ATOM 158 C THR A 7 0.020 -5.901 8.958 1.00 0.00 C ATOM 159 O THR A 7 -0.952 -5.972 9.709 1.00 0.00 O ATOM 160 CB THR A 7 1.998 -4.456 9.482 1.00 0.00 C ATOM 161 OG1 THR A 7 3.389 -4.425 9.741 1.00 0.00 O ATOM 162 CG2 THR A 7 1.319 -3.530 10.499 1.00 0.00 C ATOM 0 H THR A 7 3.027 -6.418 8.327 1.00 0.00 H new ATOM 0 HA THR A 7 1.372 -6.184 10.610 1.00 0.00 H new ATOM 0 HB THR A 7 1.803 -4.114 8.466 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.564 -3.855 10.519 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.740 -2.528 10.417 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.248 -3.491 10.298 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.485 -3.912 11.506 1.00 0.00 H new ATOM 170 N ILE A 8 -0.114 -5.859 7.621 1.00 0.00 N ATOM 171 CA ILE A 8 -1.430 -5.930 6.954 1.00 0.00 C ATOM 172 C ILE A 8 -2.165 -7.222 7.334 1.00 0.00 C ATOM 173 O ILE A 8 -3.377 -7.198 7.558 1.00 0.00 O ATOM 174 CB ILE A 8 -1.327 -5.798 5.412 1.00 0.00 C ATOM 175 CG1 ILE A 8 -0.701 -4.440 5.032 1.00 0.00 C ATOM 176 CG2 ILE A 8 -2.720 -5.936 4.757 1.00 0.00 C ATOM 177 CD1 ILE A 8 -0.730 -4.134 3.530 1.00 0.00 C ATOM 0 H ILE A 8 0.674 -5.776 6.978 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.006 -5.076 7.309 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.688 -6.600 5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.229 -3.648 5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.333 -4.420 5.376 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.625 -5.840 3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.141 -6.912 4.999 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.378 -5.153 5.134 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.271 -3.162 3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.177 -4.903 2.991 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.763 -4.119 3.182 1.00 0.00 H new ATOM 189 N ALA A 9 -1.449 -8.345 7.408 1.00 0.00 N ATOM 190 CA ALA A 9 -1.990 -9.621 7.841 1.00 0.00 C ATOM 191 C ALA A 9 -2.366 -9.606 9.331 1.00 0.00 C ATOM 192 O ALA A 9 -3.480 -10.007 9.671 1.00 0.00 O ATOM 193 CB ALA A 9 -0.980 -10.721 7.519 1.00 0.00 C ATOM 0 H ALA A 9 -0.460 -8.387 7.163 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.916 -9.819 7.301 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.376 -11.684 7.840 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.797 -10.744 6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.045 -10.521 8.042 1.00 0.00 H new ATOM 199 N ARG A 10 -1.484 -9.088 10.207 1.00 0.00 N ATOM 200 CA ARG A 10 -1.672 -8.964 11.668 1.00 0.00 C ATOM 201 C ARG A 10 -2.959 -8.266 12.118 1.00 0.00 C ATOM 202 O ARG A 10 -3.359 -8.460 13.260 1.00 0.00 O ATOM 203 CB ARG A 10 -0.451 -8.260 12.298 1.00 0.00 C ATOM 204 CG ARG A 10 0.627 -9.257 12.743 1.00 0.00 C ATOM 205 CD ARG A 10 0.258 -9.844 14.110 1.00 0.00 C ATOM 206 NE ARG A 10 1.098 -11.002 14.457 1.00 0.00 N ATOM 207 CZ ARG A 10 1.101 -11.640 15.621 1.00 0.00 C ATOM 208 NH1 ARG A 10 0.375 -11.232 16.636 1.00 0.00 N ATOM 209 NH2 ARG A 10 1.833 -12.717 15.783 1.00 0.00 N ATOM 0 H ARG A 10 -0.579 -8.728 9.903 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.768 -9.990 12.023 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.024 -7.563 11.577 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.776 -7.672 13.156 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.722 -10.056 12.008 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.595 -8.759 12.800 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.365 -9.076 14.876 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.790 -10.145 14.105 1.00 0.00 H new ATOM 0 HE ARG A 10 1.735 -11.345 13.738 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.213 -10.403 16.542 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.398 -11.744 17.518 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.403 -13.067 15.013 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.832 -13.204 16.679 1.00 0.00 H new ATOM 223 N MET A 11 -3.637 -7.540 11.224 1.00 0.00 N ATOM 224 CA MET A 11 -5.016 -7.073 11.401 1.00 0.00 C ATOM 225 C MET A 11 -5.990 -8.196 11.797 1.00 0.00 C ATOM 226 O MET A 11 -6.899 -7.951 12.583 1.00 0.00 O ATOM 227 CB MET A 11 -5.497 -6.442 10.088 1.00 0.00 C ATOM 228 CG MET A 11 -4.813 -5.102 9.793 1.00 0.00 C ATOM 229 SD MET A 11 -5.777 -3.663 10.327 1.00 0.00 S ATOM 230 CE MET A 11 -4.454 -2.607 10.966 1.00 0.00 C ATOM 0 H MET A 11 -3.231 -7.253 10.333 1.00 0.00 H new ATOM 0 HA MET A 11 -5.009 -6.350 12.217 1.00 0.00 H new ATOM 0 HB2 MET A 11 -5.306 -7.132 9.266 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.576 -6.293 10.135 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.842 -5.082 10.288 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.626 -5.027 8.722 1.00 0.00 H new ATOM 0 HE1 MET A 11 -4.880 -1.674 11.336 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.940 -3.119 11.779 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.744 -2.390 10.168 1.00 0.00 H new ATOM 240 N THR A 12 -5.827 -9.407 11.237 1.00 0.00 N ATOM 241 CA THR A 12 -6.721 -10.556 11.499 1.00 0.00 C ATOM 242 C THR A 12 -6.040 -11.929 11.501 1.00 0.00 C ATOM 243 O THR A 12 -6.636 -12.896 11.969 1.00 0.00 O ATOM 244 CB THR A 12 -7.859 -10.636 10.461 1.00 0.00 C ATOM 245 OG1 THR A 12 -7.324 -10.860 9.173 1.00 0.00 O ATOM 246 CG2 THR A 12 -8.736 -9.385 10.390 1.00 0.00 C ATOM 0 H THR A 12 -5.070 -9.621 10.587 1.00 0.00 H new ATOM 0 HA THR A 12 -7.089 -10.353 12.505 1.00 0.00 H new ATOM 0 HB THR A 12 -8.489 -11.461 10.792 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.050 -11.070 8.549 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.510 -9.526 9.636 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.202 -9.212 11.360 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.122 -8.525 10.123 1.00 0.00 H new ATOM 254 N GLY A 13 -4.839 -12.066 10.928 1.00 0.00 N ATOM 255 CA GLY A 13 -4.214 -13.348 10.602 1.00 0.00 C ATOM 256 C GLY A 13 -4.893 -14.050 9.423 1.00 0.00 C ATOM 257 O GLY A 13 -4.215 -14.400 8.461 1.00 0.00 O ATOM 0 H GLY A 13 -4.261 -11.265 10.672 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.162 -13.186 10.367 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.249 -13.998 11.476 1.00 0.00 H new ATOM 261 N ILE A 14 -6.225 -14.213 9.457 1.00 0.00 N ATOM 262 CA ILE A 14 -7.017 -14.920 8.430 1.00 0.00 C ATOM 263 C ILE A 14 -6.728 -14.377 7.026 1.00 0.00 C ATOM 264 O ILE A 14 -6.598 -15.149 6.074 1.00 0.00 O ATOM 265 CB ILE A 14 -8.541 -14.993 8.764 1.00 0.00 C ATOM 266 CG1 ILE A 14 -9.501 -14.014 8.034 1.00 0.00 C ATOM 267 CG2 ILE A 14 -8.819 -14.862 10.275 1.00 0.00 C ATOM 268 CD1 ILE A 14 -9.842 -14.395 6.582 1.00 0.00 C ATOM 0 H ILE A 14 -6.799 -13.849 10.218 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.685 -15.958 8.439 1.00 0.00 H new ATOM 0 HB ILE A 14 -8.772 -15.986 8.378 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.428 -13.947 8.603 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.053 -13.020 8.037 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -9.893 -14.919 10.454 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -8.319 -15.670 10.808 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -8.442 -13.904 10.633 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.517 -13.651 6.160 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.927 -14.432 5.991 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.324 -15.373 6.566 1.00 0.00 H new ATOM 280 N ARG A 15 -6.571 -13.050 6.903 1.00 0.00 N ATOM 281 CA ARG A 15 -6.271 -12.389 5.632 1.00 0.00 C ATOM 282 C ARG A 15 -4.890 -12.761 5.064 1.00 0.00 C ATOM 283 O ARG A 15 -4.706 -12.592 3.864 1.00 0.00 O ATOM 284 CB ARG A 15 -6.433 -10.862 5.783 1.00 0.00 C ATOM 285 CG ARG A 15 -7.090 -10.161 4.570 1.00 0.00 C ATOM 286 CD ARG A 15 -6.341 -8.933 4.024 1.00 0.00 C ATOM 287 NE ARG A 15 -5.816 -8.034 5.071 1.00 0.00 N ATOM 288 CZ ARG A 15 -6.442 -7.058 5.715 1.00 0.00 C ATOM 289 NH1 ARG A 15 -7.685 -6.729 5.463 1.00 0.00 N ATOM 290 NH2 ARG A 15 -5.820 -6.389 6.651 1.00 0.00 N ATOM 0 H ARG A 15 -6.650 -12.405 7.689 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.992 -12.753 4.899 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.032 -10.659 6.671 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.451 -10.421 5.953 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.193 -10.889 3.765 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.097 -9.854 4.853 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.512 -9.273 3.402 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.013 -8.368 3.378 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.842 -8.183 5.334 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.210 -7.231 4.747 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.127 -5.971 5.983 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.854 -6.618 6.885 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.301 -5.638 7.147 1.00 0.00 H new ATOM 304 N GLU A 16 -3.940 -13.299 5.849 1.00 0.00 N ATOM 305 CA GLU A 16 -2.605 -13.687 5.356 1.00 0.00 C ATOM 306 C GLU A 16 -2.696 -14.693 4.209 1.00 0.00 C ATOM 307 O GLU A 16 -2.100 -14.481 3.154 1.00 0.00 O ATOM 308 CB GLU A 16 -1.724 -14.297 6.461 1.00 0.00 C ATOM 309 CG GLU A 16 -0.240 -14.250 6.050 1.00 0.00 C ATOM 310 CD GLU A 16 0.527 -15.493 6.519 1.00 0.00 C ATOM 311 OE1 GLU A 16 0.417 -16.536 5.826 1.00 0.00 O ATOM 312 OE2 GLU A 16 1.216 -15.375 7.557 1.00 0.00 O ATOM 0 H GLU A 16 -4.076 -13.477 6.844 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.147 -12.763 5.004 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.868 -13.750 7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.024 -15.328 6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.167 -14.167 4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.224 -13.358 6.470 1.00 0.00 H new ATOM 319 N ALA A 17 -3.495 -15.750 4.404 1.00 0.00 N ATOM 320 CA ALA A 17 -3.756 -16.790 3.416 1.00 0.00 C ATOM 321 C ALA A 17 -4.296 -16.219 2.096 1.00 0.00 C ATOM 322 O ALA A 17 -4.027 -16.772 1.034 1.00 0.00 O ATOM 323 CB ALA A 17 -4.742 -17.789 4.034 1.00 0.00 C ATOM 0 H ALA A 17 -3.990 -15.904 5.282 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.820 -17.288 3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.956 -18.580 3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.304 -18.223 4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.667 -17.274 4.293 1.00 0.00 H new ATOM 329 N THR A 18 -5.014 -15.092 2.158 1.00 0.00 N ATOM 330 CA THR A 18 -5.511 -14.335 1.007 1.00 0.00 C ATOM 331 C THR A 18 -4.430 -13.412 0.421 1.00 0.00 C ATOM 332 O THR A 18 -4.208 -13.446 -0.785 1.00 0.00 O ATOM 333 CB THR A 18 -6.787 -13.593 1.439 1.00 0.00 C ATOM 334 OG1 THR A 18 -7.831 -14.535 1.531 1.00 0.00 O ATOM 335 CG2 THR A 18 -7.248 -12.510 0.482 1.00 0.00 C ATOM 0 H THR A 18 -5.274 -14.667 3.048 1.00 0.00 H new ATOM 0 HA THR A 18 -5.765 -15.010 0.189 1.00 0.00 H new ATOM 0 HB THR A 18 -6.547 -13.105 2.384 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.656 -14.083 1.807 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.153 -12.043 0.870 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.466 -11.757 0.381 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.456 -12.951 -0.493 1.00 0.00 H new ATOM 343 N LEU A 19 -3.714 -12.636 1.246 1.00 0.00 N ATOM 344 CA LEU A 19 -2.622 -11.744 0.827 1.00 0.00 C ATOM 345 C LEU A 19 -1.503 -12.506 0.103 1.00 0.00 C ATOM 346 O LEU A 19 -1.128 -12.155 -1.017 1.00 0.00 O ATOM 347 CB LEU A 19 -2.030 -11.027 2.054 1.00 0.00 C ATOM 348 CG LEU A 19 -2.987 -10.071 2.785 1.00 0.00 C ATOM 349 CD1 LEU A 19 -2.637 -9.900 4.272 1.00 0.00 C ATOM 350 CD2 LEU A 19 -3.005 -8.691 2.128 1.00 0.00 C ATOM 0 H LEU A 19 -3.882 -12.610 2.252 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.045 -11.018 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.685 -11.780 2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.153 -10.463 1.736 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.972 -10.532 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.346 -9.215 4.736 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.688 -10.868 4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.629 -9.496 4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.691 -8.039 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.003 -8.263 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.334 -8.785 1.093 1.00 0.00 H new ATOM 362 N ARG A 20 -0.971 -13.562 0.735 1.00 0.00 N ATOM 363 CA ARG A 20 0.088 -14.398 0.160 1.00 0.00 C ATOM 364 C ARG A 20 -0.391 -15.133 -1.101 1.00 0.00 C ATOM 365 O ARG A 20 0.384 -15.322 -2.034 1.00 0.00 O ATOM 366 CB ARG A 20 0.641 -15.354 1.234 1.00 0.00 C ATOM 367 CG ARG A 20 -0.230 -16.605 1.413 1.00 0.00 C ATOM 368 CD ARG A 20 0.247 -17.517 2.541 1.00 0.00 C ATOM 369 NE ARG A 20 -0.013 -18.914 2.166 1.00 0.00 N ATOM 370 CZ ARG A 20 0.056 -19.982 2.942 1.00 0.00 C ATOM 371 NH1 ARG A 20 0.282 -19.885 4.231 1.00 0.00 N ATOM 372 NH2 ARG A 20 -0.105 -21.172 2.404 1.00 0.00 N ATOM 0 H ARG A 20 -1.266 -13.860 1.665 1.00 0.00 H new ATOM 0 HA ARG A 20 0.907 -13.756 -0.166 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.652 -15.656 0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.711 -14.825 2.185 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.257 -16.299 1.612 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.241 -17.168 0.480 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.311 -17.367 2.722 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.272 -17.273 3.468 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.277 -19.079 1.195 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.410 -18.968 4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.330 -20.727 4.805 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.280 -21.260 1.403 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.055 -22.007 2.988 1.00 0.00 H new ATOM 386 N ALA A 21 -1.674 -15.525 -1.143 1.00 0.00 N ATOM 387 CA ALA A 21 -2.292 -16.085 -2.339 1.00 0.00 C ATOM 388 C ALA A 21 -2.312 -15.042 -3.453 1.00 0.00 C ATOM 389 O ALA A 21 -1.869 -15.347 -4.557 1.00 0.00 O ATOM 390 CB ALA A 21 -3.699 -16.611 -2.040 1.00 0.00 C ATOM 0 H ALA A 21 -2.306 -15.460 -0.345 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.696 -16.934 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.135 -17.022 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.642 -17.391 -1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.323 -15.795 -1.676 1.00 0.00 H new ATOM 396 N TRP A 22 -2.762 -13.811 -3.178 1.00 0.00 N ATOM 397 CA TRP A 22 -2.726 -12.723 -4.151 1.00 0.00 C ATOM 398 C TRP A 22 -1.329 -12.425 -4.676 1.00 0.00 C ATOM 399 O TRP A 22 -1.219 -12.216 -5.880 1.00 0.00 O ATOM 400 CB TRP A 22 -3.290 -11.434 -3.591 1.00 0.00 C ATOM 401 CG TRP A 22 -4.700 -11.401 -3.130 1.00 0.00 C ATOM 402 CD1 TRP A 22 -5.711 -12.178 -3.574 1.00 0.00 C ATOM 403 CD2 TRP A 22 -5.281 -10.476 -2.170 1.00 0.00 C ATOM 404 NE1 TRP A 22 -6.881 -11.772 -2.969 1.00 0.00 N ATOM 405 CE2 TRP A 22 -6.681 -10.695 -2.139 1.00 0.00 C ATOM 406 CE3 TRP A 22 -4.774 -9.458 -1.340 1.00 0.00 C ATOM 407 CZ2 TRP A 22 -7.538 -9.916 -1.356 1.00 0.00 C ATOM 408 CZ3 TRP A 22 -5.625 -8.679 -0.536 1.00 0.00 C ATOM 409 CH2 TRP A 22 -7.013 -8.898 -0.545 1.00 0.00 C ATOM 0 H TRP A 22 -3.159 -13.547 -2.276 1.00 0.00 H new ATOM 0 HA TRP A 22 -3.345 -13.082 -4.973 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.663 -11.140 -2.750 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.177 -10.666 -4.357 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -5.618 -12.985 -4.286 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.786 -12.217 -3.119 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.710 -9.272 -1.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.602 -10.097 -1.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.209 -7.906 0.093 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -7.667 -8.291 0.064 1.00 0.00 H new ATOM 420 N GLU A 23 -0.278 -12.458 -3.842 1.00 0.00 N ATOM 421 CA GLU A 23 1.119 -12.358 -4.299 1.00 0.00 C ATOM 422 C GLU A 23 1.410 -13.307 -5.479 1.00 0.00 C ATOM 423 O GLU A 23 2.158 -12.938 -6.385 1.00 0.00 O ATOM 424 CB GLU A 23 2.100 -12.506 -3.104 1.00 0.00 C ATOM 425 CG GLU A 23 3.337 -13.393 -3.356 1.00 0.00 C ATOM 426 CD GLU A 23 4.458 -13.219 -2.325 1.00 0.00 C ATOM 427 OE1 GLU A 23 4.183 -12.929 -1.137 1.00 0.00 O ATOM 428 OE2 GLU A 23 5.637 -13.338 -2.739 1.00 0.00 O ATOM 0 H GLU A 23 -0.372 -12.555 -2.831 1.00 0.00 H new ATOM 0 HA GLU A 23 1.283 -11.359 -4.702 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.442 -11.512 -2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.550 -12.914 -2.256 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.025 -14.437 -3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.733 -13.171 -4.347 1.00 0.00 H new ATOM 435 N ARG A 24 0.761 -14.483 -5.517 1.00 0.00 N ATOM 436 CA ARG A 24 0.909 -15.486 -6.577 1.00 0.00 C ATOM 437 C ARG A 24 -0.238 -15.508 -7.607 1.00 0.00 C ATOM 438 O ARG A 24 -0.012 -15.931 -8.738 1.00 0.00 O ATOM 439 CB ARG A 24 1.132 -16.843 -5.891 1.00 0.00 C ATOM 440 CG ARG A 24 1.830 -17.856 -6.812 1.00 0.00 C ATOM 441 CD ARG A 24 2.729 -18.796 -6.001 1.00 0.00 C ATOM 442 NE ARG A 24 3.616 -19.575 -6.885 1.00 0.00 N ATOM 443 CZ ARG A 24 4.828 -20.032 -6.594 1.00 0.00 C ATOM 444 NH1 ARG A 24 5.348 -19.916 -5.393 1.00 0.00 N ATOM 445 NH2 ARG A 24 5.552 -20.615 -7.520 1.00 0.00 N ATOM 0 H ARG A 24 0.103 -14.766 -4.791 1.00 0.00 H new ATOM 0 HA ARG A 24 1.769 -15.224 -7.193 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.732 -16.699 -4.993 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.172 -17.248 -5.571 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.084 -18.437 -7.354 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.426 -17.328 -7.557 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.328 -18.216 -5.299 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.113 -19.474 -5.410 1.00 0.00 H new ATOM 0 HE ARG A 24 3.261 -19.785 -7.818 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.817 -19.463 -4.649 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.282 -20.279 -5.205 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.184 -20.718 -8.466 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.483 -20.965 -7.294 1.00 0.00 H new ATOM 459 N ARG A 25 -1.444 -15.043 -7.245 1.00 0.00 N ATOM 460 CA ARG A 25 -2.645 -14.941 -8.100 1.00 0.00 C ATOM 461 C ARG A 25 -2.696 -13.662 -8.961 1.00 0.00 C ATOM 462 O ARG A 25 -3.175 -13.742 -10.089 1.00 0.00 O ATOM 463 CB ARG A 25 -3.926 -15.022 -7.236 1.00 0.00 C ATOM 464 CG ARG A 25 -4.595 -16.399 -7.111 1.00 0.00 C ATOM 465 CD ARG A 25 -5.841 -16.342 -6.197 1.00 0.00 C ATOM 466 NE ARG A 25 -7.116 -16.229 -6.940 1.00 0.00 N ATOM 467 CZ ARG A 25 -8.340 -16.468 -6.474 1.00 0.00 C ATOM 468 NH1 ARG A 25 -8.565 -16.756 -5.211 1.00 0.00 N ATOM 469 NH2 ARG A 25 -9.381 -16.409 -7.270 1.00 0.00 N ATOM 0 H ARG A 25 -1.621 -14.709 -6.298 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.588 -15.784 -8.789 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.681 -14.672 -6.233 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.657 -14.326 -7.647 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.884 -16.756 -8.100 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.880 -17.117 -6.709 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.869 -17.239 -5.578 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.747 -15.492 -5.521 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.050 -15.936 -7.915 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.788 -16.802 -4.552 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.517 -16.933 -4.890 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.257 -16.178 -8.256 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.315 -16.594 -6.903 1.00 0.00 H new ATOM 483 N TYR A 26 -2.266 -12.499 -8.445 1.00 0.00 N ATOM 484 CA TYR A 26 -2.426 -11.182 -9.105 1.00 0.00 C ATOM 485 C TYR A 26 -1.297 -10.170 -8.844 1.00 0.00 C ATOM 486 O TYR A 26 -1.005 -9.352 -9.715 1.00 0.00 O ATOM 487 CB TYR A 26 -3.722 -10.486 -8.645 1.00 0.00 C ATOM 488 CG TYR A 26 -4.979 -11.327 -8.645 1.00 0.00 C ATOM 489 CD1 TYR A 26 -5.678 -11.576 -9.842 1.00 0.00 C ATOM 490 CD2 TYR A 26 -5.433 -11.879 -7.435 1.00 0.00 C ATOM 491 CE1 TYR A 26 -6.817 -12.404 -9.835 1.00 0.00 C ATOM 492 CE2 TYR A 26 -6.551 -12.729 -7.432 1.00 0.00 C ATOM 493 CZ TYR A 26 -7.243 -13.004 -8.630 1.00 0.00 C ATOM 494 OH TYR A 26 -8.294 -13.869 -8.624 1.00 0.00 O ATOM 0 H TYR A 26 -1.790 -12.441 -7.545 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.427 -11.438 -10.165 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.565 -10.107 -7.635 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.891 -9.621 -9.287 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.340 -11.131 -10.766 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.924 -11.650 -6.510 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.364 -12.580 -10.750 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.883 -13.175 -6.506 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.093 -14.632 -9.206 1.00 0.00 H new ATOM 504 N GLY A 27 -0.739 -10.164 -7.628 1.00 0.00 N ATOM 505 CA GLY A 27 0.279 -9.238 -7.132 1.00 0.00 C ATOM 506 C GLY A 27 -0.228 -8.159 -6.162 1.00 0.00 C ATOM 507 O GLY A 27 0.598 -7.489 -5.560 1.00 0.00 O ATOM 0 H GLY A 27 -1.005 -10.850 -6.922 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.058 -9.814 -6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.745 -8.745 -7.986 1.00 0.00 H new ATOM 511 N PHE A 28 -1.545 -7.970 -6.002 1.00 0.00 N ATOM 512 CA PHE A 28 -2.160 -6.987 -5.091 1.00 0.00 C ATOM 513 C PHE A 28 -2.196 -7.486 -3.624 1.00 0.00 C ATOM 514 O PHE A 28 -2.491 -8.652 -3.415 1.00 0.00 O ATOM 515 CB PHE A 28 -3.587 -6.723 -5.599 1.00 0.00 C ATOM 516 CG PHE A 28 -4.524 -5.984 -4.657 1.00 0.00 C ATOM 517 CD1 PHE A 28 -5.297 -6.707 -3.727 1.00 0.00 C ATOM 518 CD2 PHE A 28 -4.683 -4.588 -4.757 1.00 0.00 C ATOM 519 CE1 PHE A 28 -6.270 -6.055 -2.953 1.00 0.00 C ATOM 520 CE2 PHE A 28 -5.638 -3.932 -3.961 1.00 0.00 C ATOM 521 CZ PHE A 28 -6.446 -4.667 -3.079 1.00 0.00 C ATOM 0 H PHE A 28 -2.237 -8.513 -6.519 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.563 -6.075 -5.089 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.518 -6.153 -6.526 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.042 -7.682 -5.848 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.140 -7.769 -3.609 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.072 -4.022 -5.445 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.881 -6.618 -2.263 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.750 -2.860 -4.028 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.204 -4.165 -2.496 1.00 0.00 H new ATOM 531 N PRO A 29 -1.978 -6.641 -2.594 1.00 0.00 N ATOM 532 CA PRO A 29 -1.346 -5.339 -2.696 1.00 0.00 C ATOM 533 C PRO A 29 0.103 -5.524 -3.146 1.00 0.00 C ATOM 534 O PRO A 29 0.810 -6.434 -2.685 1.00 0.00 O ATOM 535 CB PRO A 29 -1.437 -4.719 -1.304 1.00 0.00 C ATOM 536 CG PRO A 29 -1.431 -5.934 -0.375 1.00 0.00 C ATOM 537 CD PRO A 29 -2.140 -7.010 -1.194 1.00 0.00 C ATOM 0 HA PRO A 29 -1.827 -4.689 -3.427 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.596 -4.056 -1.104 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.345 -4.127 -1.186 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.417 -6.233 -0.111 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.955 -5.729 0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.709 -7.992 -1.000 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.195 -7.067 -0.928 1.00 0.00 H new ATOM 545 N ARG A 30 0.534 -4.645 -4.052 1.00 0.00 N ATOM 546 CA ARG A 30 1.833 -4.719 -4.714 1.00 0.00 C ATOM 547 C ARG A 30 2.926 -4.089 -3.841 1.00 0.00 C ATOM 548 O ARG A 30 2.743 -2.978 -3.342 1.00 0.00 O ATOM 549 CB ARG A 30 1.765 -4.104 -6.121 1.00 0.00 C ATOM 550 CG ARG A 30 1.257 -2.649 -6.155 1.00 0.00 C ATOM 551 CD ARG A 30 1.749 -1.887 -7.387 1.00 0.00 C ATOM 552 NE ARG A 30 0.865 -2.063 -8.551 1.00 0.00 N ATOM 553 CZ ARG A 30 0.956 -1.390 -9.690 1.00 0.00 C ATOM 554 NH1 ARG A 30 1.969 -0.587 -9.933 1.00 0.00 N ATOM 555 NH2 ARG A 30 0.027 -1.501 -10.608 1.00 0.00 N ATOM 0 H ARG A 30 -0.024 -3.845 -4.351 1.00 0.00 H new ATOM 0 HA ARG A 30 2.103 -5.767 -4.844 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.758 -4.140 -6.569 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.113 -4.718 -6.742 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.167 -2.647 -6.142 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.588 -2.131 -5.255 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.822 -0.826 -7.148 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.753 -2.226 -7.643 1.00 0.00 H new ATOM 0 HE ARG A 30 0.123 -2.759 -8.475 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.706 -0.472 -9.238 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.017 -0.080 -10.817 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.776 -2.110 -10.450 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.107 -0.979 -11.480 1.00 0.00 H new ATOM 569 N PRO A 31 4.054 -4.779 -3.600 1.00 0.00 N ATOM 570 CA PRO A 31 5.140 -4.217 -2.813 1.00 0.00 C ATOM 571 C PRO A 31 5.761 -3.042 -3.576 1.00 0.00 C ATOM 572 O PRO A 31 6.335 -3.237 -4.649 1.00 0.00 O ATOM 573 CB PRO A 31 6.112 -5.374 -2.580 1.00 0.00 C ATOM 574 CG PRO A 31 5.879 -6.305 -3.768 1.00 0.00 C ATOM 575 CD PRO A 31 4.395 -6.113 -4.078 1.00 0.00 C ATOM 0 HA PRO A 31 4.822 -3.810 -1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.144 -5.026 -2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.912 -5.878 -1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.506 -6.037 -4.618 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.107 -7.341 -3.518 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.205 -6.205 -5.147 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.791 -6.872 -3.581 1.00 0.00 H new ATOM 583 N LEU A 32 5.612 -1.815 -3.058 1.00 0.00 N ATOM 584 CA LEU A 32 6.270 -0.655 -3.668 1.00 0.00 C ATOM 585 C LEU A 32 7.800 -0.799 -3.605 1.00 0.00 C ATOM 586 O LEU A 32 8.356 -1.412 -2.694 1.00 0.00 O ATOM 587 CB LEU A 32 5.792 0.704 -3.102 1.00 0.00 C ATOM 588 CG LEU A 32 5.343 0.754 -1.627 1.00 0.00 C ATOM 589 CD1 LEU A 32 5.777 2.055 -0.947 1.00 0.00 C ATOM 590 CD2 LEU A 32 3.817 0.660 -1.533 1.00 0.00 C ATOM 0 H LEU A 32 5.052 -1.603 -2.232 1.00 0.00 H new ATOM 0 HA LEU A 32 5.968 -0.647 -4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.601 1.423 -3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.960 1.048 -3.717 1.00 0.00 H new ATOM 0 HG LEU A 32 5.814 -0.090 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.442 2.053 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.864 2.137 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.335 2.903 -1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.514 0.696 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.367 1.495 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.482 -0.278 -1.975 1.00 0.00 H new ATOM 732 N VAL A 41 6.738 -3.642 1.554 1.00 0.00 N ATOM 733 CA VAL A 41 6.264 -2.322 1.982 1.00 0.00 C ATOM 734 C VAL A 41 4.986 -1.929 1.250 1.00 0.00 C ATOM 735 O VAL A 41 4.821 -2.203 0.060 1.00 0.00 O ATOM 736 CB VAL A 41 7.319 -1.217 1.810 1.00 0.00 C ATOM 737 CG1 VAL A 41 8.391 -1.279 2.904 1.00 0.00 C ATOM 738 CG2 VAL A 41 7.977 -1.245 0.430 1.00 0.00 C ATOM 0 HA VAL A 41 6.058 -2.414 3.048 1.00 0.00 H new ATOM 0 HB VAL A 41 6.781 -0.274 1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.118 -0.482 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.922 -1.155 3.880 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.897 -2.244 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.713 -0.444 0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.470 -2.206 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.217 -1.105 -0.338 1.00 0.00 H new ATOM 748 N TYR A 42 4.103 -1.259 1.990 1.00 0.00 N ATOM 749 CA TYR A 42 2.765 -0.871 1.578 1.00 0.00 C ATOM 750 C TYR A 42 2.385 0.532 2.052 1.00 0.00 C ATOM 751 O TYR A 42 2.957 1.075 3.003 1.00 0.00 O ATOM 752 CB TYR A 42 1.774 -1.910 2.103 1.00 0.00 C ATOM 753 CG TYR A 42 1.961 -3.265 1.460 1.00 0.00 C ATOM 754 CD1 TYR A 42 1.852 -3.366 0.065 1.00 0.00 C ATOM 755 CD2 TYR A 42 2.256 -4.408 2.227 1.00 0.00 C ATOM 756 CE1 TYR A 42 2.028 -4.605 -0.553 1.00 0.00 C ATOM 757 CE2 TYR A 42 2.378 -5.662 1.595 1.00 0.00 C ATOM 758 CZ TYR A 42 2.254 -5.768 0.196 1.00 0.00 C ATOM 759 OH TYR A 42 2.282 -6.970 -0.441 1.00 0.00 O ATOM 0 H TYR A 42 4.318 -0.959 2.941 1.00 0.00 H new ATOM 0 HA TYR A 42 2.737 -0.837 0.489 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.890 -2.005 3.183 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.757 -1.562 1.921 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.633 -2.490 -0.527 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.388 -4.324 3.296 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.989 -4.669 -1.630 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.567 -6.546 2.186 1.00 0.00 H new ATOM 0 HH TYR A 42 1.827 -6.893 -1.305 1.00 0.00 H new ATOM 769 N SER A 43 1.378 1.082 1.370 1.00 0.00 N ATOM 770 CA SER A 43 0.847 2.428 1.550 1.00 0.00 C ATOM 771 C SER A 43 -0.609 2.385 2.030 1.00 0.00 C ATOM 772 O SER A 43 -1.274 1.346 1.972 1.00 0.00 O ATOM 773 CB SER A 43 0.969 3.182 0.221 1.00 0.00 C ATOM 774 OG SER A 43 0.620 4.540 0.391 1.00 0.00 O ATOM 0 H SER A 43 0.887 0.569 0.638 1.00 0.00 H new ATOM 0 HA SER A 43 1.420 2.948 2.318 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.989 3.107 -0.155 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.320 2.724 -0.525 1.00 0.00 H new ATOM 0 HG SER A 43 0.704 5.009 -0.465 1.00 0.00 H new ATOM 780 N ARG A 44 -1.117 3.536 2.487 1.00 0.00 N ATOM 781 CA ARG A 44 -2.489 3.682 2.979 1.00 0.00 C ATOM 782 C ARG A 44 -3.523 3.409 1.880 1.00 0.00 C ATOM 783 O ARG A 44 -4.546 2.805 2.169 1.00 0.00 O ATOM 784 CB ARG A 44 -2.689 5.076 3.606 1.00 0.00 C ATOM 785 CG ARG A 44 -3.748 5.060 4.724 1.00 0.00 C ATOM 786 CD ARG A 44 -3.120 4.689 6.076 1.00 0.00 C ATOM 787 NE ARG A 44 -4.146 4.464 7.112 1.00 0.00 N ATOM 788 CZ ARG A 44 -4.013 4.605 8.427 1.00 0.00 C ATOM 789 NH1 ARG A 44 -2.909 5.056 8.977 1.00 0.00 N ATOM 790 NH2 ARG A 44 -5.004 4.286 9.227 1.00 0.00 N ATOM 0 H ARG A 44 -0.579 4.402 2.525 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.648 2.931 3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.741 5.431 4.010 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.990 5.782 2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.220 6.040 4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.533 4.345 4.476 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.515 3.789 5.962 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.449 5.486 6.396 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.063 4.166 6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.115 5.312 8.390 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.846 5.150 9.991 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.878 3.929 8.840 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.900 4.395 10.236 1.00 0.00 H new ATOM 804 N GLU A 45 -3.234 3.800 0.633 1.00 0.00 N ATOM 805 CA GLU A 45 -4.049 3.516 -0.559 1.00 0.00 C ATOM 806 C GLU A 45 -4.220 2.006 -0.809 1.00 0.00 C ATOM 807 O GLU A 45 -5.349 1.523 -0.913 1.00 0.00 O ATOM 808 CB GLU A 45 -3.470 4.237 -1.797 1.00 0.00 C ATOM 809 CG GLU A 45 -1.938 4.133 -1.935 1.00 0.00 C ATOM 810 CD GLU A 45 -1.375 4.597 -3.283 1.00 0.00 C ATOM 811 OE1 GLU A 45 -2.064 5.362 -3.991 1.00 0.00 O ATOM 812 OE2 GLU A 45 -0.216 4.204 -3.548 1.00 0.00 O ATOM 0 H GLU A 45 -2.397 4.342 0.416 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.048 3.908 -0.371 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.932 3.823 -2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.748 5.290 -1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.476 4.723 -1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.643 3.096 -1.773 1.00 0.00 H new ATOM 819 N GLU A 46 -3.110 1.256 -0.838 1.00 0.00 N ATOM 820 CA GLU A 46 -3.107 -0.203 -0.952 1.00 0.00 C ATOM 821 C GLU A 46 -3.906 -0.820 0.199 1.00 0.00 C ATOM 822 O GLU A 46 -4.821 -1.604 -0.046 1.00 0.00 O ATOM 823 CB GLU A 46 -1.665 -0.749 -0.957 1.00 0.00 C ATOM 824 CG GLU A 46 -0.883 -0.469 -2.249 1.00 0.00 C ATOM 825 CD GLU A 46 -1.432 -1.273 -3.438 1.00 0.00 C ATOM 826 OE1 GLU A 46 -2.388 -0.788 -4.079 1.00 0.00 O ATOM 827 OE2 GLU A 46 -0.910 -2.384 -3.683 1.00 0.00 O ATOM 0 H GLU A 46 -2.174 1.657 -0.782 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.577 -0.477 -1.896 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.122 -0.315 -0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.697 -1.826 -0.793 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.930 0.596 -2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.168 -0.716 -2.098 1.00 0.00 H new ATOM 834 N VAL A 47 -3.602 -0.436 1.449 1.00 0.00 N ATOM 835 CA VAL A 47 -4.347 -0.905 2.625 1.00 0.00 C ATOM 836 C VAL A 47 -5.836 -0.583 2.525 1.00 0.00 C ATOM 837 O VAL A 47 -6.637 -1.455 2.847 1.00 0.00 O ATOM 838 CB VAL A 47 -3.738 -0.379 3.939 1.00 0.00 C ATOM 839 CG1 VAL A 47 -4.648 -0.606 5.160 1.00 0.00 C ATOM 840 CG2 VAL A 47 -2.426 -1.122 4.212 1.00 0.00 C ATOM 0 H VAL A 47 -2.839 0.203 1.671 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.256 -1.991 2.642 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.595 0.694 3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.162 -0.214 6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.597 -0.092 5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.830 -1.673 5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.987 -0.756 5.140 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.624 -2.190 4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.732 -0.949 3.390 1.00 0.00 H new ATOM 850 N GLU A 48 -6.230 0.617 2.085 1.00 0.00 N ATOM 851 CA GLU A 48 -7.640 0.989 1.962 1.00 0.00 C ATOM 852 C GLU A 48 -8.381 0.050 1.007 1.00 0.00 C ATOM 853 O GLU A 48 -9.388 -0.554 1.393 1.00 0.00 O ATOM 854 CB GLU A 48 -7.786 2.464 1.536 1.00 0.00 C ATOM 855 CG GLU A 48 -9.239 2.972 1.545 1.00 0.00 C ATOM 856 CD GLU A 48 -9.860 3.048 2.950 1.00 0.00 C ATOM 857 OE1 GLU A 48 -9.927 2.004 3.644 1.00 0.00 O ATOM 858 OE2 GLU A 48 -10.347 4.124 3.351 1.00 0.00 O ATOM 0 H GLU A 48 -5.582 1.354 1.806 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.103 0.882 2.943 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.189 3.086 2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.375 2.586 0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.271 3.962 1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.848 2.315 0.924 1.00 0.00 H new ATOM 865 N ALA A 49 -7.850 -0.127 -0.211 1.00 0.00 N ATOM 866 CA ALA A 49 -8.370 -1.101 -1.162 1.00 0.00 C ATOM 867 C ALA A 49 -8.429 -2.504 -0.538 1.00 0.00 C ATOM 868 O ALA A 49 -9.500 -3.104 -0.493 1.00 0.00 O ATOM 869 CB ALA A 49 -7.522 -1.061 -2.435 1.00 0.00 C ATOM 0 H ALA A 49 -7.050 0.403 -0.557 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.395 -0.844 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.906 -1.788 -3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.567 -0.063 -2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.488 -1.304 -2.191 1.00 0.00 H new ATOM 875 N VAL A 50 -7.307 -3.010 -0.010 1.00 0.00 N ATOM 876 CA VAL A 50 -7.185 -4.345 0.603 1.00 0.00 C ATOM 877 C VAL A 50 -8.189 -4.572 1.730 1.00 0.00 C ATOM 878 O VAL A 50 -8.800 -5.635 1.797 1.00 0.00 O ATOM 879 CB VAL A 50 -5.755 -4.544 1.129 1.00 0.00 C ATOM 880 CG1 VAL A 50 -5.594 -5.762 2.048 1.00 0.00 C ATOM 881 CG2 VAL A 50 -4.787 -4.710 -0.038 1.00 0.00 C ATOM 0 H VAL A 50 -6.431 -2.488 0.004 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.407 -5.077 -0.173 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.535 -3.652 1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.558 -5.835 2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.244 -5.651 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.866 -6.667 1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.776 -4.850 0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.075 -5.579 -0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.817 -3.819 -0.665 1.00 0.00 H new ATOM 891 N ARG A 51 -8.361 -3.589 2.617 1.00 0.00 N ATOM 892 CA ARG A 51 -9.327 -3.589 3.716 1.00 0.00 C ATOM 893 C ARG A 51 -10.754 -3.728 3.185 1.00 0.00 C ATOM 894 O ARG A 51 -11.512 -4.560 3.689 1.00 0.00 O ATOM 895 CB ARG A 51 -9.108 -2.297 4.515 1.00 0.00 C ATOM 896 CG ARG A 51 -9.959 -2.176 5.781 1.00 0.00 C ATOM 897 CD ARG A 51 -9.671 -0.831 6.463 1.00 0.00 C ATOM 898 NE ARG A 51 -10.331 0.300 5.774 1.00 0.00 N ATOM 899 CZ ARG A 51 -11.486 0.872 6.079 1.00 0.00 C ATOM 900 NH1 ARG A 51 -12.269 0.410 7.026 1.00 0.00 N ATOM 901 NH2 ARG A 51 -11.860 1.936 5.418 1.00 0.00 N ATOM 0 H ARG A 51 -7.806 -2.734 2.587 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.178 -4.445 4.375 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.056 -2.232 4.793 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.320 -1.446 3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.017 -2.249 5.530 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.736 -2.997 6.462 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.010 -0.871 7.498 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.595 -0.661 6.487 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.838 0.685 4.968 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.995 -0.417 7.556 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.151 0.878 7.232 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.265 2.313 4.680 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.747 2.389 5.640 1.00 0.00 H new ATOM 915 N ARG A 52 -11.096 -2.961 2.140 1.00 0.00 N ATOM 916 CA ARG A 52 -12.365 -3.084 1.415 1.00 0.00 C ATOM 917 C ARG A 52 -12.535 -4.468 0.798 1.00 0.00 C ATOM 918 O ARG A 52 -13.514 -5.140 1.110 1.00 0.00 O ATOM 919 CB ARG A 52 -12.491 -1.962 0.365 1.00 0.00 C ATOM 920 CG ARG A 52 -13.772 -1.170 0.629 1.00 0.00 C ATOM 921 CD ARG A 52 -13.868 0.093 -0.238 1.00 0.00 C ATOM 922 NE ARG A 52 -14.522 1.192 0.497 1.00 0.00 N ATOM 923 CZ ARG A 52 -15.760 1.222 0.978 1.00 0.00 C ATOM 924 NH1 ARG A 52 -16.637 0.282 0.710 1.00 0.00 N ATOM 925 NH2 ARG A 52 -16.133 2.205 1.763 1.00 0.00 N ATOM 0 H ARG A 52 -10.490 -2.228 1.771 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.179 -2.968 2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.625 -1.302 0.414 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.512 -2.387 -0.639 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.636 -1.806 0.436 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.812 -0.889 1.681 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.870 0.402 -0.548 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.430 -0.127 -1.146 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.958 2.027 0.654 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.376 -0.504 0.115 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.579 0.338 1.097 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.473 2.945 2.003 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.083 2.230 2.133 1.00 0.00 H new ATOM 939 N VAL A 53 -11.572 -4.900 -0.024 1.00 0.00 N ATOM 940 CA VAL A 53 -11.540 -6.214 -0.679 1.00 0.00 C ATOM 941 C VAL A 53 -11.719 -7.340 0.347 1.00 0.00 C ATOM 942 O VAL A 53 -12.582 -8.191 0.165 1.00 0.00 O ATOM 943 CB VAL A 53 -10.260 -6.376 -1.535 1.00 0.00 C ATOM 944 CG1 VAL A 53 -10.187 -7.781 -2.132 1.00 0.00 C ATOM 945 CG2 VAL A 53 -10.190 -5.345 -2.677 1.00 0.00 C ATOM 0 H VAL A 53 -10.764 -4.324 -0.260 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.383 -6.283 -1.367 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.415 -6.209 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.281 -7.876 -2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.170 -8.517 -1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.058 -7.954 -2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.275 -5.498 -3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.053 -5.468 -3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.192 -4.338 -2.259 1.00 0.00 H new ATOM 955 N ALA A 54 -10.974 -7.319 1.458 1.00 0.00 N ATOM 956 CA ALA A 54 -11.091 -8.270 2.562 1.00 0.00 C ATOM 957 C ALA A 54 -12.503 -8.335 3.161 1.00 0.00 C ATOM 958 O ALA A 54 -13.046 -9.430 3.319 1.00 0.00 O ATOM 959 CB ALA A 54 -10.066 -7.897 3.630 1.00 0.00 C ATOM 0 H ALA A 54 -10.251 -6.617 1.615 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.894 -9.268 2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.138 -8.596 4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.064 -7.942 3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.263 -6.886 3.987 1.00 0.00 H new ATOM 965 N ARG A 55 -13.113 -7.183 3.487 1.00 0.00 N ATOM 966 CA ARG A 55 -14.495 -7.170 3.985 1.00 0.00 C ATOM 967 C ARG A 55 -15.489 -7.654 2.918 1.00 0.00 C ATOM 968 O ARG A 55 -16.399 -8.406 3.244 1.00 0.00 O ATOM 969 CB ARG A 55 -14.876 -5.785 4.526 1.00 0.00 C ATOM 970 CG ARG A 55 -16.123 -5.899 5.428 1.00 0.00 C ATOM 971 CD ARG A 55 -17.111 -4.745 5.244 1.00 0.00 C ATOM 972 NE ARG A 55 -16.673 -3.521 5.933 1.00 0.00 N ATOM 973 CZ ARG A 55 -17.411 -2.433 6.120 1.00 0.00 C ATOM 974 NH1 ARG A 55 -18.598 -2.304 5.574 1.00 0.00 N ATOM 975 NH2 ARG A 55 -16.970 -1.455 6.874 1.00 0.00 N ATOM 0 H ARG A 55 -12.678 -6.263 3.416 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.551 -7.875 4.815 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.044 -5.364 5.091 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.076 -5.104 3.699 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -16.631 -6.840 5.217 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.807 -5.935 6.470 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -17.231 -4.538 4.181 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -18.089 -5.043 5.623 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.721 -3.507 6.298 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -18.974 -3.050 4.990 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -19.144 -1.457 5.734 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.056 -1.528 7.320 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.541 -0.622 7.014 1.00 0.00 H new ATOM 989 N LEU A 56 -15.290 -7.284 1.650 1.00 0.00 N ATOM 990 CA LEU A 56 -16.062 -7.810 0.522 1.00 0.00 C ATOM 991 C LEU A 56 -15.945 -9.347 0.406 1.00 0.00 C ATOM 992 O LEU A 56 -16.930 -10.038 0.153 1.00 0.00 O ATOM 993 CB LEU A 56 -15.594 -7.120 -0.778 1.00 0.00 C ATOM 994 CG LEU A 56 -16.544 -6.110 -1.444 1.00 0.00 C ATOM 995 CD1 LEU A 56 -17.944 -6.681 -1.667 1.00 0.00 C ATOM 996 CD2 LEU A 56 -16.625 -4.794 -0.667 1.00 0.00 C ATOM 0 H LEU A 56 -14.581 -6.604 1.375 1.00 0.00 H new ATOM 0 HA LEU A 56 -17.116 -7.591 0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.657 -6.606 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.371 -7.899 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 56 -16.111 -5.900 -2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.573 -5.927 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -17.881 -7.557 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -18.377 -6.967 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.307 -4.113 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.991 -4.989 0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.635 -4.342 -0.613 1.00 0.00 H new ATOM 1008 N ILE A 57 -14.750 -9.908 0.623 1.00 0.00 N ATOM 1009 CA ILE A 57 -14.508 -11.359 0.625 1.00 0.00 C ATOM 1010 C ILE A 57 -15.270 -12.067 1.750 1.00 0.00 C ATOM 1011 O ILE A 57 -15.763 -13.168 1.524 1.00 0.00 O ATOM 1012 CB ILE A 57 -12.993 -11.646 0.652 1.00 0.00 C ATOM 1013 CG1 ILE A 57 -12.425 -11.257 -0.724 1.00 0.00 C ATOM 1014 CG2 ILE A 57 -12.591 -13.100 1.002 1.00 0.00 C ATOM 1015 CD1 ILE A 57 -10.928 -10.990 -0.641 1.00 0.00 C ATOM 0 H ILE A 57 -13.909 -9.360 0.805 1.00 0.00 H new ATOM 0 HA ILE A 57 -14.904 -11.776 -0.301 1.00 0.00 H new ATOM 0 HB ILE A 57 -12.574 -11.053 1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.616 -12.057 -1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.936 -10.369 -1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.505 -13.189 0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -12.967 -13.353 1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -13.018 -13.782 0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.552 -10.717 -1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.742 -10.174 0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.417 -11.888 -0.293 1.00 0.00 H new ATOM 1027 N GLN A 58 -15.459 -11.428 2.910 1.00 0.00 N ATOM 1028 CA GLN A 58 -16.376 -11.941 3.934 1.00 0.00 C ATOM 1029 C GLN A 58 -17.842 -12.059 3.463 1.00 0.00 C ATOM 1030 O GLN A 58 -18.607 -12.757 4.123 1.00 0.00 O ATOM 1031 CB GLN A 58 -16.271 -11.111 5.233 1.00 0.00 C ATOM 1032 CG GLN A 58 -15.244 -11.665 6.231 1.00 0.00 C ATOM 1033 CD GLN A 58 -15.602 -13.067 6.723 1.00 0.00 C ATOM 1034 OE1 GLN A 58 -16.584 -13.279 7.414 1.00 0.00 O ATOM 1035 NE2 GLN A 58 -14.814 -14.074 6.399 1.00 0.00 N ATOM 0 H GLN A 58 -14.991 -10.558 3.163 1.00 0.00 H new ATOM 0 HA GLN A 58 -16.053 -12.962 4.138 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -16.003 -10.085 4.979 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.249 -11.075 5.712 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.261 -11.689 5.760 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.172 -10.991 7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -13.989 -13.911 5.822 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.029 -15.016 6.726 1.00 0.00 H new ATOM 1044 N GLU A 59 -18.243 -11.450 2.334 1.00 0.00 N ATOM 1045 CA GLU A 59 -19.586 -11.636 1.765 1.00 0.00 C ATOM 1046 C GLU A 59 -19.673 -12.864 0.838 1.00 0.00 C ATOM 1047 O GLU A 59 -20.649 -13.603 0.918 1.00 0.00 O ATOM 1048 CB GLU A 59 -20.074 -10.359 1.054 1.00 0.00 C ATOM 1049 CG GLU A 59 -19.888 -9.098 1.918 1.00 0.00 C ATOM 1050 CD GLU A 59 -20.848 -7.969 1.530 1.00 0.00 C ATOM 1051 OE1 GLU A 59 -20.512 -7.212 0.593 1.00 0.00 O ATOM 1052 OE2 GLU A 59 -21.896 -7.849 2.203 1.00 0.00 O ATOM 0 H GLU A 59 -17.649 -10.820 1.795 1.00 0.00 H new ATOM 0 HA GLU A 59 -20.255 -11.832 2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.530 -10.238 0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.128 -10.469 0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -20.041 -9.355 2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -18.861 -8.745 1.822 1.00 0.00 H new ATOM 1059 N GLU A 60 -18.658 -13.112 -0.008 1.00 0.00 N ATOM 1060 CA GLU A 60 -18.595 -14.302 -0.887 1.00 0.00 C ATOM 1061 C GLU A 60 -17.182 -14.836 -1.172 1.00 0.00 C ATOM 1062 O GLU A 60 -16.997 -16.046 -1.268 1.00 0.00 O ATOM 1063 CB GLU A 60 -19.259 -14.017 -2.252 1.00 0.00 C ATOM 1064 CG GLU A 60 -20.758 -14.337 -2.284 1.00 0.00 C ATOM 1065 CD GLU A 60 -21.248 -14.418 -3.734 1.00 0.00 C ATOM 1066 OE1 GLU A 60 -21.136 -15.521 -4.317 1.00 0.00 O ATOM 1067 OE2 GLU A 60 -21.693 -13.372 -4.257 1.00 0.00 O ATOM 0 H GLU A 60 -17.853 -12.493 -0.105 1.00 0.00 H new ATOM 0 HA GLU A 60 -19.127 -15.066 -0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -19.115 -12.967 -2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.755 -14.602 -3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -20.947 -15.282 -1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -21.313 -13.568 -1.747 1.00 0.00 H new ATOM 1074 N GLY A 61 -16.198 -13.957 -1.387 1.00 0.00 N ATOM 1075 CA GLY A 61 -14.826 -14.334 -1.751 1.00 0.00 C ATOM 1076 C GLY A 61 -14.493 -14.151 -3.234 1.00 0.00 C ATOM 1077 O GLY A 61 -13.330 -13.928 -3.562 1.00 0.00 O ATOM 0 H GLY A 61 -16.333 -12.949 -1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.130 -13.740 -1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.665 -15.378 -1.481 1.00 0.00 H new ATOM 1081 N LEU A 62 -15.503 -14.133 -4.117 1.00 0.00 N ATOM 1082 CA LEU A 62 -15.403 -13.712 -5.526 1.00 0.00 C ATOM 1083 C LEU A 62 -14.638 -12.387 -5.663 1.00 0.00 C ATOM 1084 O LEU A 62 -13.754 -12.257 -6.512 1.00 0.00 O ATOM 1085 CB LEU A 62 -16.835 -13.649 -6.101 1.00 0.00 C ATOM 1086 CG LEU A 62 -17.052 -12.782 -7.361 1.00 0.00 C ATOM 1087 CD1 LEU A 62 -16.229 -13.239 -8.569 1.00 0.00 C ATOM 1088 CD2 LEU A 62 -18.530 -12.824 -7.753 1.00 0.00 C ATOM 0 H LEU A 62 -16.447 -14.422 -3.862 1.00 0.00 H new ATOM 0 HA LEU A 62 -14.823 -14.433 -6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -17.151 -14.666 -6.332 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -17.497 -13.279 -5.318 1.00 0.00 H new ATOM 0 HG LEU A 62 -16.725 -11.775 -7.101 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.432 -12.584 -9.416 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.168 -13.196 -8.324 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -16.500 -14.262 -8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -18.688 -12.213 -8.642 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -18.822 -13.853 -7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -19.135 -12.435 -6.934 1.00 0.00 H new ATOM 1100 N SER A 63 -14.914 -11.439 -4.761 1.00 0.00 N ATOM 1101 CA SER A 63 -14.216 -10.162 -4.642 1.00 0.00 C ATOM 1102 C SER A 63 -12.695 -10.248 -4.480 1.00 0.00 C ATOM 1103 O SER A 63 -12.059 -9.220 -4.684 1.00 0.00 O ATOM 1104 CB SER A 63 -14.803 -9.353 -3.490 1.00 0.00 C ATOM 1105 OG SER A 63 -15.995 -8.728 -3.913 1.00 0.00 O ATOM 0 H SER A 63 -15.657 -11.547 -4.071 1.00 0.00 H new ATOM 0 HA SER A 63 -14.376 -9.670 -5.601 1.00 0.00 H new ATOM 0 HB2 SER A 63 -15.004 -10.004 -2.639 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.086 -8.603 -3.155 1.00 0.00 H new ATOM 0 HG SER A 63 -15.966 -7.777 -3.679 1.00 0.00 H new ATOM 1111 N VAL A 64 -12.089 -11.420 -4.222 1.00 0.00 N ATOM 1112 CA VAL A 64 -10.664 -11.629 -4.510 1.00 0.00 C ATOM 1113 C VAL A 64 -10.374 -11.221 -5.954 1.00 0.00 C ATOM 1114 O VAL A 64 -9.654 -10.257 -6.174 1.00 0.00 O ATOM 1115 CB VAL A 64 -10.205 -13.083 -4.244 1.00 0.00 C ATOM 1116 CG1 VAL A 64 -8.861 -13.368 -4.925 1.00 0.00 C ATOM 1117 CG2 VAL A 64 -10.047 -13.382 -2.751 1.00 0.00 C ATOM 0 H VAL A 64 -12.561 -12.229 -3.818 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.091 -11.001 -3.827 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.987 -13.722 -4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.561 -14.396 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.961 -13.224 -6.001 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.104 -12.686 -4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.724 -14.415 -2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.303 -12.711 -2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.002 -13.234 -2.247 1.00 0.00 H new ATOM 1127 N SER A 65 -10.925 -11.935 -6.938 1.00 0.00 N ATOM 1128 CA SER A 65 -10.727 -11.586 -8.343 1.00 0.00 C ATOM 1129 C SER A 65 -11.420 -10.266 -8.659 1.00 0.00 C ATOM 1130 O SER A 65 -10.830 -9.396 -9.297 1.00 0.00 O ATOM 1131 CB SER A 65 -11.246 -12.707 -9.255 1.00 0.00 C ATOM 1132 OG SER A 65 -10.233 -13.077 -10.175 1.00 0.00 O ATOM 0 H SER A 65 -11.510 -12.756 -6.786 1.00 0.00 H new ATOM 0 HA SER A 65 -9.659 -11.468 -8.527 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.541 -13.569 -8.657 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.134 -12.372 -9.791 1.00 0.00 H new ATOM 0 HG SER A 65 -9.535 -13.581 -9.707 1.00 0.00 H new ATOM 1138 N GLU A 66 -12.659 -10.109 -8.187 1.00 0.00 N ATOM 1139 CA GLU A 66 -13.539 -9.047 -8.655 1.00 0.00 C ATOM 1140 C GLU A 66 -13.159 -7.672 -8.118 1.00 0.00 C ATOM 1141 O GLU A 66 -13.049 -6.745 -8.913 1.00 0.00 O ATOM 1142 CB GLU A 66 -15.006 -9.407 -8.358 1.00 0.00 C ATOM 1143 CG GLU A 66 -15.867 -9.412 -9.631 1.00 0.00 C ATOM 1144 CD GLU A 66 -15.459 -10.462 -10.686 1.00 0.00 C ATOM 1145 OE1 GLU A 66 -14.430 -11.152 -10.497 1.00 0.00 O ATOM 1146 OE2 GLU A 66 -16.194 -10.552 -11.693 1.00 0.00 O ATOM 0 H GLU A 66 -13.074 -10.711 -7.476 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.415 -8.971 -9.735 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.050 -10.389 -7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.417 -8.693 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.906 -9.586 -9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.821 -8.423 -10.087 1.00 0.00 H new ATOM 1153 N ALA A 67 -12.924 -7.512 -6.808 1.00 0.00 N ATOM 1154 CA ALA A 67 -12.553 -6.210 -6.265 1.00 0.00 C ATOM 1155 C ALA A 67 -11.104 -5.829 -6.627 1.00 0.00 C ATOM 1156 O ALA A 67 -10.810 -4.641 -6.744 1.00 0.00 O ATOM 1157 CB ALA A 67 -12.828 -6.158 -4.763 1.00 0.00 C ATOM 0 H ALA A 67 -12.985 -8.261 -6.118 1.00 0.00 H new ATOM 0 HA ALA A 67 -13.181 -5.451 -6.732 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.545 -5.179 -4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -13.889 -6.328 -4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -12.246 -6.930 -4.260 1.00 0.00 H new ATOM 1163 N ILE A 68 -10.221 -6.809 -6.892 1.00 0.00 N ATOM 1164 CA ILE A 68 -8.917 -6.562 -7.527 1.00 0.00 C ATOM 1165 C ILE A 68 -9.119 -6.068 -8.965 1.00 0.00 C ATOM 1166 O ILE A 68 -8.625 -4.996 -9.306 1.00 0.00 O ATOM 1167 CB ILE A 68 -7.978 -7.789 -7.439 1.00 0.00 C ATOM 1168 CG1 ILE A 68 -7.590 -7.991 -5.957 1.00 0.00 C ATOM 1169 CG2 ILE A 68 -6.707 -7.589 -8.291 1.00 0.00 C ATOM 1170 CD1 ILE A 68 -6.738 -9.233 -5.663 1.00 0.00 C ATOM 0 H ILE A 68 -10.392 -7.790 -6.672 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.409 -5.773 -6.972 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.496 -8.666 -7.827 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.046 -7.109 -5.618 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.503 -8.049 -5.365 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.070 -8.469 -8.206 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.987 -7.443 -9.334 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.165 -6.713 -7.935 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.521 -9.281 -4.596 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.283 -10.128 -5.963 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.803 -9.173 -6.221 1.00 0.00 H new ATOM 1182 N ALA A 69 -9.846 -6.808 -9.811 1.00 0.00 N ATOM 1183 CA ALA A 69 -10.128 -6.388 -11.184 1.00 0.00 C ATOM 1184 C ALA A 69 -10.801 -5.006 -11.238 1.00 0.00 C ATOM 1185 O ALA A 69 -10.380 -4.168 -12.032 1.00 0.00 O ATOM 1186 CB ALA A 69 -10.956 -7.467 -11.890 1.00 0.00 C ATOM 0 H ALA A 69 -10.252 -7.710 -9.562 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.183 -6.277 -11.716 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.166 -7.154 -12.913 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.397 -8.403 -11.905 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.895 -7.613 -11.356 1.00 0.00 H new ATOM 1192 N GLN A 70 -11.770 -4.740 -10.351 1.00 0.00 N ATOM 1193 CA GLN A 70 -12.357 -3.419 -10.118 1.00 0.00 C ATOM 1194 C GLN A 70 -11.276 -2.389 -9.763 1.00 0.00 C ATOM 1195 O GLN A 70 -11.035 -1.496 -10.565 1.00 0.00 O ATOM 1196 CB GLN A 70 -13.453 -3.491 -9.043 1.00 0.00 C ATOM 1197 CG GLN A 70 -14.730 -4.193 -9.536 1.00 0.00 C ATOM 1198 CD GLN A 70 -15.605 -4.691 -8.384 1.00 0.00 C ATOM 1199 OE1 GLN A 70 -15.837 -4.017 -7.393 1.00 0.00 O ATOM 1200 NE2 GLN A 70 -16.135 -5.898 -8.468 1.00 0.00 N ATOM 0 H GLN A 70 -12.178 -5.463 -9.759 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.827 -3.086 -11.043 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.066 -4.021 -8.172 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.702 -2.481 -8.717 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.305 -3.503 -10.153 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.456 -5.036 -10.171 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.954 -6.478 -9.287 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.725 -6.250 -7.714 1.00 0.00 H new ATOM 1209 N VAL A 71 -10.565 -2.511 -8.631 1.00 0.00 N ATOM 1210 CA VAL A 71 -9.589 -1.481 -8.230 1.00 0.00 C ATOM 1211 C VAL A 71 -8.423 -1.309 -9.223 1.00 0.00 C ATOM 1212 O VAL A 71 -7.820 -0.239 -9.261 1.00 0.00 O ATOM 1213 CB VAL A 71 -9.101 -1.697 -6.781 1.00 0.00 C ATOM 1214 CG1 VAL A 71 -7.933 -2.683 -6.664 1.00 0.00 C ATOM 1215 CG2 VAL A 71 -8.698 -0.364 -6.139 1.00 0.00 C ATOM 0 H VAL A 71 -10.644 -3.297 -7.986 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.125 -0.532 -8.259 1.00 0.00 H new ATOM 0 HB VAL A 71 -9.947 -2.134 -6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.645 -2.784 -5.618 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.237 -3.655 -7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.085 -2.312 -7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.357 -0.540 -5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.893 0.090 -6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.557 0.307 -6.124 1.00 0.00 H new ATOM 1225 N LYS A 72 -8.110 -2.318 -10.056 1.00 0.00 N ATOM 1226 CA LYS A 72 -7.160 -2.175 -11.171 1.00 0.00 C ATOM 1227 C LYS A 72 -7.766 -1.529 -12.426 1.00 0.00 C ATOM 1228 O LYS A 72 -7.038 -0.842 -13.137 1.00 0.00 O ATOM 1229 CB LYS A 72 -6.510 -3.522 -11.532 1.00 0.00 C ATOM 1230 CG LYS A 72 -5.627 -4.090 -10.404 1.00 0.00 C ATOM 1231 CD LYS A 72 -4.378 -4.836 -10.897 1.00 0.00 C ATOM 1232 CE LYS A 72 -4.698 -5.894 -11.961 1.00 0.00 C ATOM 1233 NZ LYS A 72 -3.628 -6.918 -12.058 1.00 0.00 N ATOM 0 H LYS A 72 -8.508 -3.253 -9.974 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.394 -1.490 -10.806 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.292 -4.243 -11.771 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.906 -3.397 -12.430 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.315 -3.272 -9.755 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.225 -4.769 -9.796 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.670 -4.117 -11.308 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.889 -5.316 -10.049 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.644 -6.378 -11.719 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.826 -5.409 -12.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.880 -7.615 -12.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.730 -6.459 -12.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.523 -7.398 -11.141 1.00 0.00 H new ATOM 1247 N THR A 73 -9.052 -1.754 -12.733 1.00 0.00 N ATOM 1248 CA THR A 73 -9.732 -1.134 -13.888 1.00 0.00 C ATOM 1249 C THR A 73 -10.254 0.280 -13.583 1.00 0.00 C ATOM 1250 O THR A 73 -10.329 1.112 -14.483 1.00 0.00 O ATOM 1251 CB THR A 73 -10.817 -2.076 -14.455 1.00 0.00 C ATOM 1252 OG1 THR A 73 -11.049 -1.793 -15.817 1.00 0.00 O ATOM 1253 CG2 THR A 73 -12.181 -2.066 -13.752 1.00 0.00 C ATOM 0 H THR A 73 -9.654 -2.372 -12.188 1.00 0.00 H new ATOM 0 HA THR A 73 -8.988 -0.993 -14.672 1.00 0.00 H new ATOM 0 HB THR A 73 -10.392 -3.065 -14.285 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.737 -2.398 -16.164 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.851 -2.770 -14.247 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.055 -2.357 -12.709 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.608 -1.064 -13.800 1.00 0.00 H new ATOM 1261 N GLU A 74 -10.546 0.581 -12.313 1.00 0.00 N ATOM 1262 CA GLU A 74 -10.877 1.907 -11.791 1.00 0.00 C ATOM 1263 C GLU A 74 -9.617 2.792 -11.688 1.00 0.00 C ATOM 1264 O GLU A 74 -8.726 2.492 -10.891 1.00 0.00 O ATOM 1265 CB GLU A 74 -11.544 1.780 -10.411 1.00 0.00 C ATOM 1266 CG GLU A 74 -12.977 1.239 -10.512 1.00 0.00 C ATOM 1267 CD GLU A 74 -13.635 1.178 -9.130 1.00 0.00 C ATOM 1268 OE1 GLU A 74 -13.474 0.134 -8.457 1.00 0.00 O ATOM 1269 OE2 GLU A 74 -14.289 2.180 -8.763 1.00 0.00 O ATOM 0 H GLU A 74 -10.558 -0.133 -11.585 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.572 2.381 -12.484 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.950 1.118 -9.781 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.558 2.755 -9.924 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.565 1.877 -11.172 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.964 0.244 -10.958 1.00 0.00 H new