USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 554 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 17 CYS SG : rot 91:sc= -5.2! USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0729 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 160:sc= 0.631 USER MOD Single : A 46 MET CE :methyl -155:sc= -0.147 (180deg=-0.482) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 100:sc= -1.07 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0528 USER MOD Single : A 70 THR OG1 : rot -177:sc= -0.932 USER MOD Single : A 79 ASN : amide:sc= -0.52 K(o=-0.52,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -3.698 10.990 -4.594 1.00 0.00 N ATOM 45 CA LEU A 4 -3.441 9.879 -3.683 1.00 0.00 C ATOM 46 C LEU A 4 -4.319 8.684 -4.044 1.00 0.00 C ATOM 47 O LEU A 4 -5.222 8.790 -4.875 1.00 0.00 O ATOM 48 CB LEU A 4 -3.731 10.291 -2.238 1.00 0.00 C ATOM 49 CG LEU A 4 -2.594 11.173 -1.720 1.00 0.00 C ATOM 50 CD1 LEU A 4 -2.910 12.640 -2.018 1.00 0.00 C ATOM 51 CD2 LEU A 4 -2.448 10.981 -0.209 1.00 0.00 C ATOM 0 HA LEU A 4 -2.391 9.603 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.677 10.831 -2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.834 9.406 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.664 10.894 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.100 13.269 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.015 12.778 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.840 12.919 -1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.638 11.609 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.379 11.261 0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.223 9.936 0.005 1.00 0.00 H new ATOM 63 N LEU A 5 -4.044 7.547 -3.413 1.00 0.00 N ATOM 64 CA LEU A 5 -4.818 6.337 -3.678 1.00 0.00 C ATOM 65 C LEU A 5 -4.923 5.479 -2.413 1.00 0.00 C ATOM 66 O LEU A 5 -4.267 5.748 -1.409 1.00 0.00 O ATOM 67 CB LEU A 5 -4.191 5.532 -4.836 1.00 0.00 C ATOM 68 CG LEU A 5 -2.908 4.805 -4.395 1.00 0.00 C ATOM 69 CD1 LEU A 5 -2.331 4.030 -5.581 1.00 0.00 C ATOM 70 CD2 LEU A 5 -1.876 5.821 -3.910 1.00 0.00 C ATOM 0 H LEU A 5 -3.301 7.437 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.825 6.631 -3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.913 4.804 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.963 6.203 -5.664 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.147 4.117 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.422 3.514 -5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.062 3.300 -5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.097 4.723 -6.389 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.970 5.300 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.638 6.512 -4.719 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.282 6.377 -3.065 1.00 0.00 H new ATOM 82 N THR A 6 -5.767 4.452 -2.474 1.00 0.00 N ATOM 83 CA THR A 6 -5.962 3.572 -1.324 1.00 0.00 C ATOM 84 C THR A 6 -5.845 2.096 -1.749 1.00 0.00 C ATOM 85 O THR A 6 -5.529 1.790 -2.901 1.00 0.00 O ATOM 86 CB THR A 6 -7.340 3.863 -0.686 1.00 0.00 C ATOM 87 OG1 THR A 6 -7.419 3.267 0.600 1.00 0.00 O ATOM 88 CG2 THR A 6 -8.478 3.333 -1.571 1.00 0.00 C ATOM 0 H THR A 6 -6.321 4.210 -3.296 1.00 0.00 H new ATOM 0 HA THR A 6 -5.185 3.763 -0.583 1.00 0.00 H new ATOM 0 HB THR A 6 -7.447 4.944 -0.592 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.295 3.459 0.996 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.437 3.550 -1.100 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.435 3.817 -2.547 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.371 2.255 -1.695 1.00 0.00 H new ATOM 96 N THR A 7 -6.108 1.186 -0.807 1.00 0.00 N ATOM 97 CA THR A 7 -6.040 -0.250 -1.091 1.00 0.00 C ATOM 98 C THR A 7 -6.928 -0.597 -2.285 1.00 0.00 C ATOM 99 O THR A 7 -6.599 -1.463 -3.100 1.00 0.00 O ATOM 100 CB THR A 7 -6.502 -1.045 0.132 1.00 0.00 C ATOM 101 OG1 THR A 7 -5.732 -0.659 1.263 1.00 0.00 O ATOM 102 CG2 THR A 7 -6.316 -2.538 -0.126 1.00 0.00 C ATOM 0 H THR A 7 -6.368 1.416 0.152 1.00 0.00 H new ATOM 0 HA THR A 7 -5.008 -0.509 -1.326 1.00 0.00 H new ATOM 0 HB THR A 7 -7.556 -0.841 0.321 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.027 -1.166 2.048 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.646 -3.102 0.747 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.906 -2.834 -0.993 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.263 -2.746 -0.316 1.00 0.00 H new ATOM 110 N ASP A 8 -8.056 0.102 -2.383 1.00 0.00 N ATOM 111 CA ASP A 8 -8.993 -0.113 -3.488 1.00 0.00 C ATOM 112 C ASP A 8 -8.267 0.058 -4.821 1.00 0.00 C ATOM 113 O ASP A 8 -8.418 -0.749 -5.738 1.00 0.00 O ATOM 114 CB ASP A 8 -10.151 0.885 -3.416 1.00 0.00 C ATOM 115 CG ASP A 8 -11.021 0.569 -2.204 1.00 0.00 C ATOM 116 OD1 ASP A 8 -10.465 0.232 -1.171 1.00 0.00 O ATOM 117 OD2 ASP A 8 -12.231 0.668 -2.324 1.00 0.00 O ATOM 0 H ASP A 8 -8.344 0.818 -1.716 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.391 -1.125 -3.409 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.765 1.902 -3.344 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.746 0.834 -4.328 1.00 0.00 H new ATOM 122 N ASP A 9 -7.451 1.111 -4.901 1.00 0.00 N ATOM 123 CA ASP A 9 -6.672 1.373 -6.109 1.00 0.00 C ATOM 124 C ASP A 9 -5.727 0.202 -6.365 1.00 0.00 C ATOM 125 O ASP A 9 -5.464 -0.168 -7.509 1.00 0.00 O ATOM 126 CB ASP A 9 -5.846 2.658 -5.960 1.00 0.00 C ATOM 127 CG ASP A 9 -5.872 3.441 -7.270 1.00 0.00 C ATOM 128 OD1 ASP A 9 -5.685 2.828 -8.307 1.00 0.00 O ATOM 129 OD2 ASP A 9 -6.078 4.642 -7.214 1.00 0.00 O ATOM 0 H ASP A 9 -7.314 1.789 -4.151 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.362 1.494 -6.944 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.249 3.269 -5.152 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.818 2.412 -5.692 1.00 0.00 H new ATOM 134 N LEU A 10 -5.229 -0.383 -5.272 1.00 0.00 N ATOM 135 CA LEU A 10 -4.318 -1.531 -5.357 1.00 0.00 C ATOM 136 C LEU A 10 -4.911 -2.632 -6.236 1.00 0.00 C ATOM 137 O LEU A 10 -4.347 -3.002 -7.265 1.00 0.00 O ATOM 138 CB LEU A 10 -4.080 -2.119 -3.957 1.00 0.00 C ATOM 139 CG LEU A 10 -2.689 -2.772 -3.853 1.00 0.00 C ATOM 140 CD1 LEU A 10 -2.589 -3.509 -2.517 1.00 0.00 C ATOM 141 CD2 LEU A 10 -2.474 -3.784 -4.986 1.00 0.00 C ATOM 0 H LEU A 10 -5.440 -0.083 -4.320 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.381 -1.179 -5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.171 -1.331 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.849 -2.859 -3.736 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.931 -1.992 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.608 -3.976 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.726 -2.801 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.362 -4.276 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.485 -4.232 -4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.233 -4.564 -4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.552 -3.276 -5.947 1.00 0.00 H new ATOM 153 N ARG A 11 -6.054 -3.157 -5.799 1.00 0.00 N ATOM 154 CA ARG A 11 -6.731 -4.233 -6.528 1.00 0.00 C ATOM 155 C ARG A 11 -7.005 -3.842 -7.978 1.00 0.00 C ATOM 156 O ARG A 11 -6.608 -4.542 -8.907 1.00 0.00 O ATOM 157 CB ARG A 11 -8.064 -4.568 -5.857 1.00 0.00 C ATOM 158 CG ARG A 11 -8.378 -6.052 -6.048 1.00 0.00 C ATOM 159 CD ARG A 11 -9.775 -6.355 -5.505 1.00 0.00 C ATOM 160 NE ARG A 11 -10.798 -5.995 -6.484 1.00 0.00 N ATOM 161 CZ ARG A 11 -12.067 -5.823 -6.119 1.00 0.00 C ATOM 162 NH1 ARG A 11 -12.666 -6.730 -5.398 1.00 0.00 N ATOM 163 NH2 ARG A 11 -12.712 -4.748 -6.485 1.00 0.00 N ATOM 0 H ARG A 11 -6.531 -2.858 -4.948 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.070 -5.099 -6.513 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.017 -4.330 -4.794 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.861 -3.960 -6.285 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.323 -6.312 -7.105 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.636 -6.661 -5.531 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.854 -7.415 -5.262 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.939 -5.802 -4.580 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.536 -5.874 -7.462 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.162 -7.570 -5.114 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.638 -6.599 -5.118 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.244 -4.040 -7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.684 -4.616 -6.205 1.00 0.00 H new ATOM 177 N ARG A 12 -7.702 -2.726 -8.157 1.00 0.00 N ATOM 178 CA ARG A 12 -8.051 -2.247 -9.498 1.00 0.00 C ATOM 179 C ARG A 12 -6.817 -2.086 -10.392 1.00 0.00 C ATOM 180 O ARG A 12 -6.929 -2.070 -11.617 1.00 0.00 O ATOM 181 CB ARG A 12 -8.770 -0.900 -9.408 1.00 0.00 C ATOM 182 CG ARG A 12 -10.244 -1.130 -9.069 1.00 0.00 C ATOM 183 CD ARG A 12 -11.089 -0.015 -9.687 1.00 0.00 C ATOM 184 NE ARG A 12 -11.230 1.101 -8.754 1.00 0.00 N ATOM 185 CZ ARG A 12 -11.950 2.173 -9.075 1.00 0.00 C ATOM 186 NH1 ARG A 12 -11.697 2.822 -10.179 1.00 0.00 N ATOM 187 NH2 ARG A 12 -12.908 2.576 -8.287 1.00 0.00 N ATOM 0 H ARG A 12 -8.038 -2.135 -7.397 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.704 -2.998 -9.942 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.303 -0.277 -8.645 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.683 -0.365 -10.354 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.568 -2.099 -9.448 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.381 -1.148 -7.988 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.624 0.332 -10.610 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.073 -0.401 -9.952 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.770 1.058 -7.844 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.948 2.507 -10.795 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.249 3.644 -10.425 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.106 2.069 -7.424 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.460 3.398 -8.534 1.00 0.00 H new ATOM 201 N ALA A 13 -5.644 -1.955 -9.777 1.00 0.00 N ATOM 202 CA ALA A 13 -4.411 -1.783 -10.546 1.00 0.00 C ATOM 203 C ALA A 13 -3.861 -3.128 -11.012 1.00 0.00 C ATOM 204 O ALA A 13 -3.333 -3.249 -12.118 1.00 0.00 O ATOM 205 CB ALA A 13 -3.349 -1.080 -9.699 1.00 0.00 C ATOM 0 H ALA A 13 -5.520 -1.964 -8.765 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.650 -1.175 -11.418 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.438 -0.959 -10.285 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.717 -0.100 -9.394 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.135 -1.679 -8.814 1.00 0.00 H new ATOM 211 N LEU A 14 -3.980 -4.136 -10.153 1.00 0.00 N ATOM 212 CA LEU A 14 -3.480 -5.470 -10.482 1.00 0.00 C ATOM 213 C LEU A 14 -4.386 -6.169 -11.500 1.00 0.00 C ATOM 214 O LEU A 14 -3.949 -7.064 -12.222 1.00 0.00 O ATOM 215 CB LEU A 14 -3.392 -6.329 -9.220 1.00 0.00 C ATOM 216 CG LEU A 14 -2.019 -6.142 -8.568 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.124 -6.407 -7.066 1.00 0.00 C ATOM 218 CD2 LEU A 14 -1.018 -7.121 -9.187 1.00 0.00 C ATOM 0 H LEU A 14 -4.413 -4.058 -9.233 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.488 -5.350 -10.919 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.179 -6.048 -8.521 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.547 -7.378 -9.470 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.679 -5.120 -8.735 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.146 -6.273 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.834 -5.709 -6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.467 -7.428 -6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.042 -6.986 -8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.360 -8.143 -9.023 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.939 -6.932 -10.258 1.00 0.00 H new ATOM 230 N VAL A 15 -5.652 -5.756 -11.549 1.00 0.00 N ATOM 231 CA VAL A 15 -6.603 -6.357 -12.481 1.00 0.00 C ATOM 232 C VAL A 15 -6.604 -5.605 -13.808 1.00 0.00 C ATOM 233 O VAL A 15 -6.842 -6.184 -14.866 1.00 0.00 O ATOM 234 CB VAL A 15 -8.018 -6.338 -11.896 1.00 0.00 C ATOM 235 CG1 VAL A 15 -8.954 -7.152 -12.793 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.002 -6.952 -10.493 1.00 0.00 C ATOM 0 H VAL A 15 -6.039 -5.017 -10.962 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.295 -7.389 -12.650 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.370 -5.308 -11.839 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.961 -7.138 -12.376 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.969 -6.717 -13.792 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.599 -8.181 -12.850 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.010 -6.938 -10.078 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.648 -7.981 -10.550 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.337 -6.375 -9.851 1.00 0.00 H new ATOM 246 N GLU A 16 -6.338 -4.302 -13.741 1.00 0.00 N ATOM 247 CA GLU A 16 -6.313 -3.477 -14.948 1.00 0.00 C ATOM 248 C GLU A 16 -5.286 -4.001 -15.953 1.00 0.00 C ATOM 249 O GLU A 16 -5.404 -3.766 -17.155 1.00 0.00 O ATOM 250 CB GLU A 16 -5.970 -2.027 -14.597 1.00 0.00 C ATOM 251 CG GLU A 16 -7.250 -1.273 -14.230 1.00 0.00 C ATOM 252 CD GLU A 16 -7.821 -0.602 -15.474 1.00 0.00 C ATOM 253 OE1 GLU A 16 -7.348 0.471 -15.812 1.00 0.00 O ATOM 254 OE2 GLU A 16 -8.721 -1.169 -16.070 1.00 0.00 O ATOM 0 H GLU A 16 -6.139 -3.799 -12.876 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.305 -3.523 -15.397 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.268 -2.000 -13.764 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.480 -1.543 -15.442 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.982 -1.962 -13.807 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.038 -0.525 -13.466 1.00 0.00 H new ATOM 261 N CYS A 17 -4.276 -4.709 -15.451 1.00 0.00 N ATOM 262 CA CYS A 17 -3.237 -5.255 -16.321 1.00 0.00 C ATOM 263 C CYS A 17 -3.627 -6.643 -16.824 1.00 0.00 C ATOM 264 O CYS A 17 -3.366 -6.996 -17.973 1.00 0.00 O ATOM 265 CB CYS A 17 -1.909 -5.356 -15.569 1.00 0.00 C ATOM 266 SG CYS A 17 -1.022 -3.783 -15.699 1.00 0.00 S ATOM 0 H CYS A 17 -4.155 -4.916 -14.460 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.127 -4.581 -17.170 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.089 -5.599 -14.522 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.304 -6.162 -15.984 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.344 -3.019 -14.698 1.00 0.00 H new ATOM 272 N ALA A 18 -4.254 -7.426 -15.949 1.00 0.00 N ATOM 273 CA ALA A 18 -4.673 -8.779 -16.316 1.00 0.00 C ATOM 274 C ALA A 18 -5.655 -8.740 -17.484 1.00 0.00 C ATOM 275 O ALA A 18 -5.347 -9.188 -18.589 1.00 0.00 O ATOM 276 CB ALA A 18 -5.338 -9.476 -15.127 1.00 0.00 C ATOM 0 H ALA A 18 -4.481 -7.153 -14.993 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.783 -9.335 -16.611 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.643 -10.481 -15.419 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.631 -9.537 -14.299 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.214 -8.907 -14.815 1.00 0.00 H new ATOM 400 N ASP A 29 -9.945 -9.750 2.208 1.00 0.00 N ATOM 401 CA ASP A 29 -8.828 -8.827 2.406 1.00 0.00 C ATOM 402 C ASP A 29 -7.992 -8.703 1.126 1.00 0.00 C ATOM 403 O ASP A 29 -7.277 -7.722 0.934 1.00 0.00 O ATOM 404 CB ASP A 29 -7.925 -9.314 3.541 1.00 0.00 C ATOM 405 CG ASP A 29 -7.322 -8.115 4.266 1.00 0.00 C ATOM 406 OD1 ASP A 29 -6.580 -7.380 3.636 1.00 0.00 O ATOM 407 OD2 ASP A 29 -7.611 -7.950 5.439 1.00 0.00 O ATOM 0 HA ASP A 29 -9.245 -7.853 2.662 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.499 -9.923 4.240 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.132 -9.947 3.142 1.00 0.00 H new ATOM 412 N PHE A 30 -8.089 -9.722 0.260 1.00 0.00 N ATOM 413 CA PHE A 30 -7.354 -9.756 -1.011 1.00 0.00 C ATOM 414 C PHE A 30 -5.879 -9.341 -0.842 1.00 0.00 C ATOM 415 O PHE A 30 -5.236 -8.876 -1.778 1.00 0.00 O ATOM 416 CB PHE A 30 -8.102 -8.914 -2.088 1.00 0.00 C ATOM 417 CG PHE A 30 -7.558 -7.502 -2.247 1.00 0.00 C ATOM 418 CD1 PHE A 30 -7.954 -6.490 -1.368 1.00 0.00 C ATOM 419 CD2 PHE A 30 -6.672 -7.211 -3.291 1.00 0.00 C ATOM 420 CE1 PHE A 30 -7.461 -5.192 -1.527 1.00 0.00 C ATOM 421 CE2 PHE A 30 -6.177 -5.917 -3.450 1.00 0.00 C ATOM 422 CZ PHE A 30 -6.570 -4.904 -2.568 1.00 0.00 C ATOM 0 H PHE A 30 -8.676 -10.541 0.420 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.325 -10.787 -1.363 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.039 -9.428 -3.047 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.158 -8.859 -1.825 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.642 -6.711 -0.565 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.371 -7.991 -3.975 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.767 -4.411 -0.847 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.490 -5.697 -4.254 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.187 -3.902 -2.690 1.00 0.00 H new ATOM 432 N LEU A 31 -5.346 -9.538 0.361 1.00 0.00 N ATOM 433 CA LEU A 31 -3.954 -9.190 0.622 1.00 0.00 C ATOM 434 C LEU A 31 -3.276 -10.292 1.429 1.00 0.00 C ATOM 435 O LEU A 31 -2.984 -10.134 2.615 1.00 0.00 O ATOM 436 CB LEU A 31 -3.873 -7.863 1.382 1.00 0.00 C ATOM 437 CG LEU A 31 -4.427 -6.741 0.499 1.00 0.00 C ATOM 438 CD1 LEU A 31 -4.744 -5.516 1.357 1.00 0.00 C ATOM 439 CD2 LEU A 31 -3.390 -6.368 -0.562 1.00 0.00 C ATOM 0 H LEU A 31 -5.848 -9.930 1.158 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.439 -9.083 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.442 -7.926 2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.840 -7.650 1.656 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.340 -7.084 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.138 -4.721 0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.486 -5.781 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.835 -5.171 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.784 -5.569 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.476 -6.029 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.170 -7.240 -1.178 1.00 0.00 H new ATOM 451 N ASP A 32 -3.034 -11.417 0.763 1.00 0.00 N ATOM 452 CA ASP A 32 -2.392 -12.558 1.411 1.00 0.00 C ATOM 453 C ASP A 32 -1.766 -13.479 0.369 1.00 0.00 C ATOM 454 O ASP A 32 -0.625 -13.921 0.516 1.00 0.00 O ATOM 455 CB ASP A 32 -3.413 -13.352 2.228 1.00 0.00 C ATOM 456 CG ASP A 32 -3.665 -12.645 3.556 1.00 0.00 C ATOM 457 OD1 ASP A 32 -2.907 -12.879 4.482 1.00 0.00 O ATOM 458 OD2 ASP A 32 -4.614 -11.881 3.627 1.00 0.00 O ATOM 0 H ASP A 32 -3.270 -11.564 -0.218 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.615 -12.176 2.073 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.346 -13.446 1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.045 -14.362 2.406 1.00 0.00 H new ATOM 463 N LEU A 33 -2.525 -13.765 -0.687 1.00 0.00 N ATOM 464 CA LEU A 33 -2.035 -14.639 -1.750 1.00 0.00 C ATOM 465 C LEU A 33 -2.208 -13.974 -3.114 1.00 0.00 C ATOM 466 O LEU A 33 -2.541 -14.628 -4.104 1.00 0.00 O ATOM 467 CB LEU A 33 -2.793 -15.969 -1.740 1.00 0.00 C ATOM 468 CG LEU A 33 -2.406 -16.767 -0.494 1.00 0.00 C ATOM 469 CD1 LEU A 33 -3.389 -16.457 0.636 1.00 0.00 C ATOM 470 CD2 LEU A 33 -2.453 -18.263 -0.812 1.00 0.00 C ATOM 0 H LEU A 33 -3.470 -13.409 -0.829 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.976 -14.824 -1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.868 -15.787 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.558 -16.540 -2.638 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.398 -16.491 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.113 -17.026 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.358 -15.391 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.397 -16.733 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.177 -18.832 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.462 -18.538 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.754 -18.486 -1.618 1.00 0.00 H new ATOM 482 N ARG A 34 -1.977 -12.665 -3.158 1.00 0.00 N ATOM 483 CA ARG A 34 -2.109 -11.922 -4.408 1.00 0.00 C ATOM 484 C ARG A 34 -0.872 -12.127 -5.283 1.00 0.00 C ATOM 485 O ARG A 34 -0.939 -12.759 -6.337 1.00 0.00 O ATOM 486 CB ARG A 34 -2.293 -10.424 -4.128 1.00 0.00 C ATOM 487 CG ARG A 34 -2.531 -9.671 -5.443 1.00 0.00 C ATOM 488 CD ARG A 34 -3.877 -10.086 -6.041 1.00 0.00 C ATOM 489 NE ARG A 34 -3.715 -11.244 -6.919 1.00 0.00 N ATOM 490 CZ ARG A 34 -4.650 -11.567 -7.810 1.00 0.00 C ATOM 491 NH1 ARG A 34 -5.194 -10.639 -8.551 1.00 0.00 N ATOM 492 NH2 ARG A 34 -5.020 -12.811 -7.946 1.00 0.00 N ATOM 0 H ARG A 34 -1.701 -12.102 -2.353 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.987 -12.297 -4.933 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.136 -10.272 -3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.410 -10.028 -3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.518 -8.596 -5.265 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.728 -9.887 -6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.578 -10.324 -5.241 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.304 -9.254 -6.602 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.872 -11.814 -6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.902 -9.667 -8.447 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.910 -10.886 -9.234 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.593 -13.536 -7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.736 -13.058 -8.629 1.00 0.00 H new ATOM 506 N PHE A 35 0.257 -11.584 -4.833 1.00 0.00 N ATOM 507 CA PHE A 35 1.503 -11.714 -5.585 1.00 0.00 C ATOM 508 C PHE A 35 1.916 -13.180 -5.678 1.00 0.00 C ATOM 509 O PHE A 35 2.298 -13.664 -6.742 1.00 0.00 O ATOM 510 CB PHE A 35 2.625 -10.914 -4.915 1.00 0.00 C ATOM 511 CG PHE A 35 2.536 -9.465 -5.340 1.00 0.00 C ATOM 512 CD1 PHE A 35 1.339 -8.758 -5.166 1.00 0.00 C ATOM 513 CD2 PHE A 35 3.647 -8.827 -5.911 1.00 0.00 C ATOM 514 CE1 PHE A 35 1.253 -7.418 -5.562 1.00 0.00 C ATOM 515 CE2 PHE A 35 3.558 -7.489 -6.305 1.00 0.00 C ATOM 516 CZ PHE A 35 2.363 -6.785 -6.132 1.00 0.00 C ATOM 0 H PHE A 35 0.335 -11.057 -3.963 1.00 0.00 H new ATOM 0 HA PHE A 35 1.334 -11.321 -6.587 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.544 -10.991 -3.831 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.595 -11.326 -5.192 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.482 -9.247 -4.726 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.571 -9.370 -6.046 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.330 -6.873 -5.428 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.414 -6.998 -6.744 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.296 -5.752 -6.439 1.00 0.00 H new ATOM 526 N GLU A 36 1.827 -13.883 -4.554 1.00 0.00 N ATOM 527 CA GLU A 36 2.190 -15.296 -4.526 1.00 0.00 C ATOM 528 C GLU A 36 0.996 -16.155 -4.936 1.00 0.00 C ATOM 529 O GLU A 36 0.341 -16.783 -4.102 1.00 0.00 O ATOM 530 CB GLU A 36 2.652 -15.706 -3.124 1.00 0.00 C ATOM 531 CG GLU A 36 1.566 -15.359 -2.093 1.00 0.00 C ATOM 532 CD GLU A 36 2.130 -14.401 -1.046 1.00 0.00 C ATOM 533 OE1 GLU A 36 2.278 -13.232 -1.359 1.00 0.00 O ATOM 534 OE2 GLU A 36 2.404 -14.852 0.055 1.00 0.00 O ATOM 0 H GLU A 36 1.511 -13.504 -3.661 1.00 0.00 H new ATOM 0 HA GLU A 36 3.008 -15.451 -5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.861 -16.775 -3.099 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.581 -15.194 -2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.711 -14.903 -2.592 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.207 -16.268 -1.611 1.00 0.00 H new ATOM 541 N ASP A 37 0.720 -16.168 -6.236 1.00 0.00 N ATOM 542 CA ASP A 37 -0.398 -16.946 -6.763 1.00 0.00 C ATOM 543 C ASP A 37 0.049 -17.784 -7.958 1.00 0.00 C ATOM 544 O ASP A 37 0.059 -19.013 -7.903 1.00 0.00 O ATOM 545 CB ASP A 37 -1.534 -16.020 -7.201 1.00 0.00 C ATOM 546 CG ASP A 37 -2.869 -16.740 -7.043 1.00 0.00 C ATOM 547 OD1 ASP A 37 -3.402 -16.725 -5.946 1.00 0.00 O ATOM 548 OD2 ASP A 37 -3.338 -17.296 -8.023 1.00 0.00 O ATOM 0 H ASP A 37 1.250 -15.654 -6.940 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.751 -17.605 -5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.527 -15.110 -6.601 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.392 -15.719 -8.239 1.00 0.00 H new ATOM 553 N ILE A 38 0.420 -17.102 -9.040 1.00 0.00 N ATOM 554 CA ILE A 38 0.867 -17.796 -10.245 1.00 0.00 C ATOM 555 C ILE A 38 2.383 -17.988 -10.217 1.00 0.00 C ATOM 556 O ILE A 38 2.909 -18.981 -10.719 1.00 0.00 O ATOM 557 CB ILE A 38 0.462 -17.006 -11.502 1.00 0.00 C ATOM 558 CG1 ILE A 38 1.204 -15.665 -11.562 1.00 0.00 C ATOM 559 CG2 ILE A 38 -1.040 -16.733 -11.458 1.00 0.00 C ATOM 560 CD1 ILE A 38 0.920 -14.984 -12.902 1.00 0.00 C ATOM 0 H ILE A 38 0.420 -16.084 -9.107 1.00 0.00 H new ATOM 0 HA ILE A 38 0.388 -18.774 -10.275 1.00 0.00 H new ATOM 0 HB ILE A 38 0.720 -17.595 -12.382 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.884 -15.023 -10.741 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.276 -15.825 -11.443 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.334 -16.173 -12.346 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.581 -17.679 -11.429 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.278 -16.152 -10.567 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.447 -14.031 -12.945 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.262 -15.624 -13.715 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.151 -14.811 -13.002 1.00 0.00 H new ATOM 572 N GLY A 39 3.073 -17.020 -9.622 1.00 0.00 N ATOM 573 CA GLY A 39 4.527 -17.078 -9.527 1.00 0.00 C ATOM 574 C GLY A 39 5.149 -15.731 -9.885 1.00 0.00 C ATOM 575 O GLY A 39 6.126 -15.663 -10.631 1.00 0.00 O ATOM 0 H GLY A 39 2.652 -16.192 -9.201 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.819 -17.361 -8.515 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.909 -17.849 -10.196 1.00 0.00 H new ATOM 579 N TYR A 40 4.573 -14.660 -9.341 1.00 0.00 N ATOM 580 CA TYR A 40 5.083 -13.315 -9.603 1.00 0.00 C ATOM 581 C TYR A 40 6.455 -13.147 -8.960 1.00 0.00 C ATOM 582 O TYR A 40 6.565 -12.735 -7.805 1.00 0.00 O ATOM 583 CB TYR A 40 4.139 -12.259 -9.019 1.00 0.00 C ATOM 584 CG TYR A 40 3.034 -11.941 -10.002 1.00 0.00 C ATOM 585 CD1 TYR A 40 1.991 -12.853 -10.214 1.00 0.00 C ATOM 586 CD2 TYR A 40 3.049 -10.723 -10.691 1.00 0.00 C ATOM 587 CE1 TYR A 40 0.966 -12.544 -11.117 1.00 0.00 C ATOM 588 CE2 TYR A 40 2.024 -10.417 -11.595 1.00 0.00 C ATOM 589 CZ TYR A 40 0.983 -11.327 -11.807 1.00 0.00 C ATOM 590 OH TYR A 40 -0.027 -11.024 -12.697 1.00 0.00 O ATOM 0 H TYR A 40 3.762 -14.696 -8.723 1.00 0.00 H new ATOM 0 HA TYR A 40 5.154 -13.183 -10.683 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.710 -12.621 -8.085 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.697 -11.353 -8.783 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.978 -13.793 -9.682 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.851 -10.019 -10.526 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.162 -13.246 -11.281 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.037 -9.478 -12.129 1.00 0.00 H new ATOM 0 HH TYR A 40 0.137 -10.141 -13.089 1.00 0.00 H new ATOM 600 N ASP A 41 7.502 -13.477 -9.711 1.00 0.00 N ATOM 601 CA ASP A 41 8.857 -13.362 -9.182 1.00 0.00 C ATOM 602 C ASP A 41 9.192 -11.904 -8.872 1.00 0.00 C ATOM 603 O ASP A 41 9.694 -11.592 -7.793 1.00 0.00 O ATOM 604 CB ASP A 41 9.888 -13.939 -10.167 1.00 0.00 C ATOM 605 CG ASP A 41 9.862 -13.175 -11.488 1.00 0.00 C ATOM 606 OD1 ASP A 41 8.856 -13.246 -12.173 1.00 0.00 O ATOM 607 OD2 ASP A 41 10.853 -12.533 -11.796 1.00 0.00 O ATOM 0 H ASP A 41 7.441 -13.820 -10.670 1.00 0.00 H new ATOM 0 HA ASP A 41 8.902 -13.940 -8.259 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.885 -13.885 -9.730 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.676 -14.993 -10.347 1.00 0.00 H new ATOM 612 N SER A 42 8.893 -11.016 -9.828 1.00 0.00 N ATOM 613 CA SER A 42 9.147 -9.573 -9.669 1.00 0.00 C ATOM 614 C SER A 42 9.119 -8.887 -11.032 1.00 0.00 C ATOM 615 O SER A 42 8.590 -7.789 -11.176 1.00 0.00 O ATOM 616 CB SER A 42 10.513 -9.295 -9.016 1.00 0.00 C ATOM 617 OG SER A 42 10.845 -7.920 -9.171 1.00 0.00 O ATOM 0 H SER A 42 8.474 -11.269 -10.723 1.00 0.00 H new ATOM 0 HA SER A 42 8.364 -9.181 -9.021 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.481 -9.555 -7.958 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.280 -9.919 -9.475 1.00 0.00 H new ATOM 0 HG SER A 42 11.521 -7.670 -8.507 1.00 0.00 H new ATOM 623 N LEU A 43 9.704 -9.549 -12.026 1.00 0.00 N ATOM 624 CA LEU A 43 9.756 -8.996 -13.380 1.00 0.00 C ATOM 625 C LEU A 43 8.351 -8.753 -13.925 1.00 0.00 C ATOM 626 O LEU A 43 8.094 -7.749 -14.591 1.00 0.00 O ATOM 627 CB LEU A 43 10.491 -9.956 -14.318 1.00 0.00 C ATOM 628 CG LEU A 43 11.208 -9.157 -15.408 1.00 0.00 C ATOM 629 CD1 LEU A 43 12.485 -8.541 -14.834 1.00 0.00 C ATOM 630 CD2 LEU A 43 11.570 -10.089 -16.566 1.00 0.00 C ATOM 0 H LEU A 43 10.146 -10.462 -11.923 1.00 0.00 H new ATOM 0 HA LEU A 43 10.290 -8.047 -13.330 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.211 -10.551 -13.756 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.784 -10.653 -14.769 1.00 0.00 H new ATOM 0 HG LEU A 43 10.552 -8.364 -15.768 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.995 -7.972 -15.611 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.229 -7.878 -14.007 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.141 -9.333 -14.474 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.081 -9.521 -17.344 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.226 -10.881 -16.204 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.661 -10.530 -16.976 1.00 0.00 H new ATOM 642 N ALA A 44 7.446 -9.685 -13.641 1.00 0.00 N ATOM 643 CA ALA A 44 6.068 -9.567 -14.112 1.00 0.00 C ATOM 644 C ALA A 44 5.420 -8.292 -13.580 1.00 0.00 C ATOM 645 O ALA A 44 4.975 -7.436 -14.346 1.00 0.00 O ATOM 646 CB ALA A 44 5.243 -10.770 -13.655 1.00 0.00 C ATOM 0 H ALA A 44 7.638 -10.523 -13.092 1.00 0.00 H new ATOM 0 HA ALA A 44 6.092 -9.531 -15.201 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.219 -10.667 -14.014 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.678 -11.684 -14.058 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.242 -10.818 -12.566 1.00 0.00 H new ATOM 652 N LEU A 45 5.367 -8.177 -12.257 1.00 0.00 N ATOM 653 CA LEU A 45 4.766 -7.004 -11.623 1.00 0.00 C ATOM 654 C LEU A 45 5.637 -5.753 -11.792 1.00 0.00 C ATOM 655 O LEU A 45 5.211 -4.646 -11.461 1.00 0.00 O ATOM 656 CB LEU A 45 4.540 -7.261 -10.132 1.00 0.00 C ATOM 657 CG LEU A 45 5.864 -7.648 -9.453 1.00 0.00 C ATOM 658 CD1 LEU A 45 6.399 -6.463 -8.647 1.00 0.00 C ATOM 659 CD2 LEU A 45 5.626 -8.834 -8.510 1.00 0.00 C ATOM 0 H LEU A 45 5.729 -8.874 -11.606 1.00 0.00 H new ATOM 0 HA LEU A 45 3.811 -6.827 -12.118 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.128 -6.369 -9.660 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.808 -8.058 -10.000 1.00 0.00 H new ATOM 0 HG LEU A 45 6.591 -7.924 -10.217 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.337 -6.743 -8.168 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.570 -5.617 -9.313 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.672 -6.183 -7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.564 -9.109 -8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.896 -8.554 -7.750 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.249 -9.683 -9.081 1.00 0.00 H new ATOM 671 N MET A 46 6.855 -5.928 -12.310 1.00 0.00 N ATOM 672 CA MET A 46 7.751 -4.790 -12.511 1.00 0.00 C ATOM 673 C MET A 46 7.256 -3.921 -13.663 1.00 0.00 C ATOM 674 O MET A 46 7.439 -2.705 -13.665 1.00 0.00 O ATOM 675 CB MET A 46 9.172 -5.264 -12.826 1.00 0.00 C ATOM 676 CG MET A 46 10.123 -4.065 -12.826 1.00 0.00 C ATOM 677 SD MET A 46 11.563 -4.435 -13.860 1.00 0.00 S ATOM 678 CE MET A 46 12.705 -3.266 -13.083 1.00 0.00 C ATOM 0 H MET A 46 7.237 -6.830 -12.593 1.00 0.00 H new ATOM 0 HA MET A 46 7.761 -4.209 -11.589 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.494 -5.997 -12.087 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.195 -5.759 -13.797 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.610 -3.180 -13.202 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.441 -3.840 -11.808 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.484 -2.991 -13.794 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.160 -2.373 -12.779 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.160 -3.729 -12.208 1.00 0.00 H new ATOM 688 N GLU A 47 6.628 -4.562 -14.645 1.00 0.00 N ATOM 689 CA GLU A 47 6.110 -3.840 -15.804 1.00 0.00 C ATOM 690 C GLU A 47 4.797 -3.143 -15.459 1.00 0.00 C ATOM 691 O GLU A 47 4.468 -2.097 -16.017 1.00 0.00 O ATOM 692 CB GLU A 47 5.872 -4.802 -16.969 1.00 0.00 C ATOM 693 CG GLU A 47 5.866 -4.020 -18.283 1.00 0.00 C ATOM 694 CD GLU A 47 6.105 -4.977 -19.446 1.00 0.00 C ATOM 695 OE1 GLU A 47 5.581 -6.078 -19.399 1.00 0.00 O ATOM 696 OE2 GLU A 47 6.809 -4.595 -20.366 1.00 0.00 O ATOM 0 H GLU A 47 6.466 -5.569 -14.663 1.00 0.00 H new ATOM 0 HA GLU A 47 6.850 -3.094 -16.093 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.651 -5.564 -16.990 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.922 -5.321 -16.838 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.912 -3.508 -18.410 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.640 -3.252 -18.265 1.00 0.00 H new ATOM 703 N THR A 48 4.048 -3.737 -14.532 1.00 0.00 N ATOM 704 CA THR A 48 2.769 -3.166 -14.119 1.00 0.00 C ATOM 705 C THR A 48 2.985 -1.861 -13.358 1.00 0.00 C ATOM 706 O THR A 48 2.295 -0.870 -13.593 1.00 0.00 O ATOM 707 CB THR A 48 2.010 -4.150 -13.219 1.00 0.00 C ATOM 708 OG1 THR A 48 1.916 -5.408 -13.872 1.00 0.00 O ATOM 709 CG2 THR A 48 0.602 -3.616 -12.933 1.00 0.00 C ATOM 0 H THR A 48 4.301 -4.604 -14.058 1.00 0.00 H new ATOM 0 HA THR A 48 2.184 -2.968 -15.017 1.00 0.00 H new ATOM 0 HB THR A 48 2.547 -4.264 -12.277 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.433 -6.039 -13.298 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.069 -4.320 -12.294 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.674 -2.651 -12.430 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.061 -3.497 -13.871 1.00 0.00 H new ATOM 717 N ALA A 49 3.948 -1.875 -12.442 1.00 0.00 N ATOM 718 CA ALA A 49 4.246 -0.687 -11.646 1.00 0.00 C ATOM 719 C ALA A 49 4.871 0.400 -12.517 1.00 0.00 C ATOM 720 O ALA A 49 4.375 1.524 -12.586 1.00 0.00 O ATOM 721 CB ALA A 49 5.213 -1.030 -10.513 1.00 0.00 C ATOM 0 H ALA A 49 4.530 -2.686 -12.233 1.00 0.00 H new ATOM 0 HA ALA A 49 3.308 -0.322 -11.227 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.424 -0.133 -9.931 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.764 -1.785 -9.867 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.142 -1.417 -10.932 1.00 0.00 H new ATOM 727 N ALA A 50 5.970 0.048 -13.182 1.00 0.00 N ATOM 728 CA ALA A 50 6.674 0.996 -14.051 1.00 0.00 C ATOM 729 C ALA A 50 5.729 1.591 -15.095 1.00 0.00 C ATOM 730 O ALA A 50 5.918 2.720 -15.548 1.00 0.00 O ATOM 731 CB ALA A 50 7.830 0.299 -14.770 1.00 0.00 C ATOM 0 H ALA A 50 6.392 -0.880 -13.138 1.00 0.00 H new ATOM 0 HA ALA A 50 7.059 1.798 -13.421 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.344 1.015 -15.412 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.530 -0.097 -14.034 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.441 -0.518 -15.377 1.00 0.00 H new ATOM 737 N ARG A 51 4.709 0.823 -15.467 1.00 0.00 N ATOM 738 CA ARG A 51 3.742 1.289 -16.456 1.00 0.00 C ATOM 739 C ARG A 51 2.858 2.380 -15.860 1.00 0.00 C ATOM 740 O ARG A 51 2.651 3.432 -16.466 1.00 0.00 O ATOM 741 CB ARG A 51 2.858 0.134 -16.927 1.00 0.00 C ATOM 742 CG ARG A 51 3.528 -0.575 -18.106 1.00 0.00 C ATOM 743 CD ARG A 51 3.321 0.246 -19.381 1.00 0.00 C ATOM 744 NE ARG A 51 4.399 -0.001 -20.334 1.00 0.00 N ATOM 745 CZ ARG A 51 4.157 -0.072 -21.640 1.00 0.00 C ATOM 746 NH1 ARG A 51 4.129 1.017 -22.358 1.00 0.00 N ATOM 747 NH2 ARG A 51 3.948 -1.230 -22.203 1.00 0.00 N ATOM 0 H ARG A 51 4.531 -0.114 -15.104 1.00 0.00 H new ATOM 0 HA ARG A 51 4.295 1.691 -17.305 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.696 -0.570 -16.111 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.879 0.509 -17.224 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.593 -0.701 -17.911 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.107 -1.573 -18.231 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.363 -0.011 -19.833 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.283 1.307 -19.134 1.00 0.00 H new ATOM 0 HE ARG A 51 5.353 -0.121 -19.993 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.293 1.922 -21.918 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.943 0.963 -23.360 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.970 -2.081 -21.642 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.762 -1.284 -23.205 1.00 0.00 H new ATOM 761 N LEU A 52 2.337 2.117 -14.664 1.00 0.00 N ATOM 762 CA LEU A 52 1.472 3.083 -13.991 1.00 0.00 C ATOM 763 C LEU A 52 2.276 4.036 -13.098 1.00 0.00 C ATOM 764 O LEU A 52 1.702 4.781 -12.304 1.00 0.00 O ATOM 765 CB LEU A 52 0.437 2.356 -13.130 1.00 0.00 C ATOM 766 CG LEU A 52 -0.760 1.960 -13.996 1.00 0.00 C ATOM 767 CD1 LEU A 52 -1.659 0.997 -13.218 1.00 0.00 C ATOM 768 CD2 LEU A 52 -1.557 3.213 -14.366 1.00 0.00 C ATOM 0 H LEU A 52 2.496 1.253 -14.145 1.00 0.00 H new ATOM 0 HA LEU A 52 0.974 3.666 -14.766 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.882 1.469 -12.679 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.111 3.000 -12.313 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.405 1.472 -14.904 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.512 0.716 -13.836 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.093 0.104 -12.953 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.014 1.484 -12.310 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.410 2.932 -14.983 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.911 3.701 -13.458 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.918 3.900 -14.921 1.00 0.00 H new ATOM 780 N GLU A 53 3.605 4.014 -13.228 1.00 0.00 N ATOM 781 CA GLU A 53 4.449 4.892 -12.418 1.00 0.00 C ATOM 782 C GLU A 53 4.703 6.232 -13.119 1.00 0.00 C ATOM 783 O GLU A 53 5.595 6.984 -12.725 1.00 0.00 O ATOM 784 CB GLU A 53 5.793 4.222 -12.132 1.00 0.00 C ATOM 785 CG GLU A 53 5.654 3.291 -10.924 1.00 0.00 C ATOM 786 CD GLU A 53 6.003 4.051 -9.648 1.00 0.00 C ATOM 787 OE1 GLU A 53 6.880 4.899 -9.706 1.00 0.00 O ATOM 788 OE2 GLU A 53 5.391 3.773 -8.631 1.00 0.00 O ATOM 0 H GLU A 53 4.111 3.409 -13.874 1.00 0.00 H new ATOM 0 HA GLU A 53 3.919 5.079 -11.484 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.122 3.657 -13.004 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.554 4.978 -11.936 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.636 2.907 -10.863 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.313 2.430 -11.038 1.00 0.00 H new ATOM 795 N SER A 54 3.918 6.528 -14.158 1.00 0.00 N ATOM 796 CA SER A 54 4.088 7.783 -14.887 1.00 0.00 C ATOM 797 C SER A 54 3.043 8.802 -14.444 1.00 0.00 C ATOM 798 O SER A 54 3.371 9.926 -14.061 1.00 0.00 O ATOM 799 CB SER A 54 3.947 7.550 -16.391 1.00 0.00 C ATOM 800 OG SER A 54 4.798 6.481 -16.781 1.00 0.00 O ATOM 0 H SER A 54 3.172 5.927 -14.507 1.00 0.00 H new ATOM 0 HA SER A 54 5.085 8.166 -14.670 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.912 7.315 -16.639 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.208 8.456 -16.937 1.00 0.00 H new ATOM 0 HG SER A 54 4.709 6.327 -17.745 1.00 0.00 H new ATOM 806 N ARG A 55 1.777 8.395 -14.502 1.00 0.00 N ATOM 807 CA ARG A 55 0.678 9.277 -14.107 1.00 0.00 C ATOM 808 C ARG A 55 0.828 9.719 -12.651 1.00 0.00 C ATOM 809 O ARG A 55 0.383 10.801 -12.270 1.00 0.00 O ATOM 810 CB ARG A 55 -0.673 8.571 -14.279 1.00 0.00 C ATOM 811 CG ARG A 55 -0.619 7.179 -13.643 1.00 0.00 C ATOM 812 CD ARG A 55 -1.988 6.831 -13.057 1.00 0.00 C ATOM 813 NE ARG A 55 -1.870 5.757 -12.074 1.00 0.00 N ATOM 814 CZ ARG A 55 -2.928 5.034 -11.717 1.00 0.00 C ATOM 815 NH1 ARG A 55 -4.096 5.603 -11.587 1.00 0.00 N ATOM 816 NH2 ARG A 55 -2.798 3.754 -11.496 1.00 0.00 N ATOM 0 H ARG A 55 1.487 7.469 -14.816 1.00 0.00 H new ATOM 0 HA ARG A 55 0.714 10.154 -14.753 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.463 9.162 -13.816 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.917 8.487 -15.338 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.332 6.438 -14.389 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.140 7.154 -12.861 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.424 7.713 -12.589 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.665 6.527 -13.856 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.962 5.558 -11.655 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.198 6.603 -11.759 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.906 5.047 -11.313 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.886 3.309 -11.597 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.609 3.199 -11.222 1.00 0.00 H new ATOM 830 N TYR A 56 1.462 8.873 -11.843 1.00 0.00 N ATOM 831 CA TYR A 56 1.665 9.192 -10.431 1.00 0.00 C ATOM 832 C TYR A 56 2.964 9.972 -10.241 1.00 0.00 C ATOM 833 O TYR A 56 3.079 10.805 -9.342 1.00 0.00 O ATOM 834 CB TYR A 56 1.719 7.908 -9.596 1.00 0.00 C ATOM 835 CG TYR A 56 0.327 7.541 -9.125 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.740 7.499 -10.036 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.103 7.238 -7.776 1.00 0.00 C ATOM 838 CE1 TYR A 56 -2.024 7.157 -9.597 1.00 0.00 C ATOM 839 CE2 TYR A 56 -1.182 6.896 -7.339 1.00 0.00 C ATOM 840 CZ TYR A 56 -2.245 6.856 -8.248 1.00 0.00 C ATOM 841 OH TYR A 56 -3.511 6.519 -7.817 1.00 0.00 O ATOM 0 H TYR A 56 1.840 7.972 -12.136 1.00 0.00 H new ATOM 0 HA TYR A 56 0.827 9.804 -10.098 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.138 7.095 -10.189 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.377 8.049 -8.739 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.570 7.731 -11.077 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.922 7.268 -7.073 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.844 7.125 -10.299 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.353 6.663 -6.299 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.579 5.545 -7.733 1.00 0.00 H new ATOM 851 N GLY A 57 3.941 9.693 -11.101 1.00 0.00 N ATOM 852 CA GLY A 57 5.231 10.374 -11.025 1.00 0.00 C ATOM 853 C GLY A 57 5.923 10.105 -9.690 1.00 0.00 C ATOM 854 O GLY A 57 6.738 10.904 -9.228 1.00 0.00 O ATOM 0 H GLY A 57 3.866 9.007 -11.852 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.870 10.039 -11.842 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.086 11.447 -11.152 1.00 0.00 H new ATOM 858 N VAL A 58 5.593 8.972 -9.074 1.00 0.00 N ATOM 859 CA VAL A 58 6.189 8.609 -7.799 1.00 0.00 C ATOM 860 C VAL A 58 7.517 7.886 -8.027 1.00 0.00 C ATOM 861 O VAL A 58 7.783 7.376 -9.116 1.00 0.00 O ATOM 862 CB VAL A 58 5.226 7.709 -7.011 1.00 0.00 C ATOM 863 CG1 VAL A 58 4.953 6.413 -7.789 1.00 0.00 C ATOM 864 CG2 VAL A 58 5.825 7.372 -5.645 1.00 0.00 C ATOM 0 H VAL A 58 4.921 8.296 -9.437 1.00 0.00 H new ATOM 0 HA VAL A 58 6.378 9.516 -7.224 1.00 0.00 H new ATOM 0 HB VAL A 58 4.286 8.243 -6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.269 5.784 -7.219 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.506 6.655 -8.753 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.890 5.879 -7.947 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.135 6.733 -5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.772 6.850 -5.782 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.995 8.292 -5.085 1.00 0.00 H new ATOM 874 N SER A 59 8.345 7.847 -6.987 1.00 0.00 N ATOM 875 CA SER A 59 9.644 7.181 -7.083 1.00 0.00 C ATOM 876 C SER A 59 9.461 5.706 -7.431 1.00 0.00 C ATOM 877 O SER A 59 8.407 5.121 -7.181 1.00 0.00 O ATOM 878 CB SER A 59 10.400 7.290 -5.759 1.00 0.00 C ATOM 879 OG SER A 59 9.470 7.263 -4.683 1.00 0.00 O ATOM 0 H SER A 59 8.145 8.263 -6.077 1.00 0.00 H new ATOM 0 HA SER A 59 10.217 7.672 -7.869 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.109 6.467 -5.663 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.978 8.214 -5.732 1.00 0.00 H new ATOM 0 HG SER A 59 9.952 7.331 -3.832 1.00 0.00 H new ATOM 885 N ILE A 60 10.498 5.113 -8.016 1.00 0.00 N ATOM 886 CA ILE A 60 10.434 3.706 -8.401 1.00 0.00 C ATOM 887 C ILE A 60 11.689 2.957 -7.917 1.00 0.00 C ATOM 888 O ILE A 60 12.667 2.825 -8.652 1.00 0.00 O ATOM 889 CB ILE A 60 10.289 3.578 -9.928 1.00 0.00 C ATOM 890 CG1 ILE A 60 10.221 2.098 -10.330 1.00 0.00 C ATOM 891 CG2 ILE A 60 11.477 4.243 -10.629 1.00 0.00 C ATOM 892 CD1 ILE A 60 8.952 1.471 -9.752 1.00 0.00 C ATOM 0 H ILE A 60 11.381 5.576 -8.232 1.00 0.00 H new ATOM 0 HA ILE A 60 9.561 3.256 -7.928 1.00 0.00 H new ATOM 0 HB ILE A 60 9.368 4.076 -10.232 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.224 2.005 -11.416 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.101 1.569 -9.963 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.363 4.146 -11.709 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.513 5.299 -10.361 1.00 0.00 H new ATOM 0 HG23 ILE A 60 12.402 3.758 -10.317 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.903 0.420 -10.037 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.969 1.552 -8.665 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.078 1.994 -10.141 1.00 0.00 H new ATOM 904 N PRO A 61 11.677 2.448 -6.672 1.00 0.00 N ATOM 905 CA PRO A 61 12.826 1.709 -6.122 1.00 0.00 C ATOM 906 C PRO A 61 12.839 0.247 -6.564 1.00 0.00 C ATOM 907 O PRO A 61 11.971 -0.538 -6.186 1.00 0.00 O ATOM 908 CB PRO A 61 12.597 1.819 -4.620 1.00 0.00 C ATOM 909 CG PRO A 61 11.106 2.060 -4.411 1.00 0.00 C ATOM 910 CD PRO A 61 10.533 2.573 -5.737 1.00 0.00 C ATOM 0 HA PRO A 61 13.784 2.107 -6.458 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.915 0.907 -4.114 1.00 0.00 H new ATOM 0 HB3 PRO A 61 13.182 2.637 -4.200 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.607 1.139 -4.108 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.943 2.787 -3.616 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.680 1.979 -6.063 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.191 3.605 -5.655 1.00 0.00 H new ATOM 918 N ASP A 62 13.832 -0.106 -7.373 1.00 0.00 N ATOM 919 CA ASP A 62 13.950 -1.475 -7.868 1.00 0.00 C ATOM 920 C ASP A 62 14.299 -2.448 -6.739 1.00 0.00 C ATOM 921 O ASP A 62 14.106 -3.656 -6.869 1.00 0.00 O ATOM 922 CB ASP A 62 15.035 -1.560 -8.944 1.00 0.00 C ATOM 923 CG ASP A 62 14.441 -1.178 -10.296 1.00 0.00 C ATOM 924 OD1 ASP A 62 13.396 -1.707 -10.633 1.00 0.00 O ATOM 925 OD2 ASP A 62 15.043 -0.361 -10.974 1.00 0.00 O ATOM 0 H ASP A 62 14.561 0.529 -7.698 1.00 0.00 H new ATOM 0 HA ASP A 62 12.984 -1.753 -8.289 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.861 -0.893 -8.696 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.442 -2.570 -8.986 1.00 0.00 H new ATOM 930 N ASP A 63 14.826 -1.918 -5.635 1.00 0.00 N ATOM 931 CA ASP A 63 15.205 -2.764 -4.505 1.00 0.00 C ATOM 932 C ASP A 63 13.975 -3.353 -3.816 1.00 0.00 C ATOM 933 O ASP A 63 13.703 -4.549 -3.920 1.00 0.00 O ATOM 934 CB ASP A 63 16.009 -1.956 -3.484 1.00 0.00 C ATOM 935 CG ASP A 63 17.466 -1.881 -3.927 1.00 0.00 C ATOM 936 OD1 ASP A 63 17.789 -0.979 -4.683 1.00 0.00 O ATOM 937 OD2 ASP A 63 18.239 -2.725 -3.504 1.00 0.00 O ATOM 0 H ASP A 63 14.998 -0.922 -5.500 1.00 0.00 H new ATOM 0 HA ASP A 63 15.814 -3.579 -4.895 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.594 -0.952 -3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.940 -2.422 -2.501 1.00 0.00 H new ATOM 942 N VAL A 64 13.245 -2.504 -3.096 1.00 0.00 N ATOM 943 CA VAL A 64 12.056 -2.955 -2.373 1.00 0.00 C ATOM 944 C VAL A 64 10.958 -3.407 -3.342 1.00 0.00 C ATOM 945 O VAL A 64 10.328 -4.445 -3.145 1.00 0.00 O ATOM 946 CB VAL A 64 11.526 -1.830 -1.466 1.00 0.00 C ATOM 947 CG1 VAL A 64 11.077 -0.632 -2.307 1.00 0.00 C ATOM 948 CG2 VAL A 64 10.343 -2.344 -0.639 1.00 0.00 C ATOM 0 H VAL A 64 13.452 -1.510 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 64 12.340 -3.808 -1.757 1.00 0.00 H new ATOM 0 HB VAL A 64 12.329 -1.514 -0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.705 0.155 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.922 -0.255 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.284 -0.942 -2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.972 -1.544 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.547 -2.673 -1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.667 -3.182 -0.022 1.00 0.00 H new ATOM 958 N ALA A 65 10.734 -2.611 -4.382 1.00 0.00 N ATOM 959 CA ALA A 65 9.705 -2.936 -5.367 1.00 0.00 C ATOM 960 C ALA A 65 10.062 -4.212 -6.123 1.00 0.00 C ATOM 961 O ALA A 65 9.192 -5.010 -6.467 1.00 0.00 O ATOM 962 CB ALA A 65 9.541 -1.793 -6.368 1.00 0.00 C ATOM 0 H ALA A 65 11.243 -1.746 -4.565 1.00 0.00 H new ATOM 0 HA ALA A 65 8.769 -3.087 -4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.771 -2.053 -7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.250 -0.885 -5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.485 -1.625 -6.886 1.00 0.00 H new ATOM 968 N GLY A 66 11.354 -4.392 -6.380 1.00 0.00 N ATOM 969 CA GLY A 66 11.818 -5.575 -7.101 1.00 0.00 C ATOM 970 C GLY A 66 11.695 -6.828 -6.240 1.00 0.00 C ATOM 971 O GLY A 66 11.529 -7.935 -6.754 1.00 0.00 O ATOM 0 H GLY A 66 12.091 -3.743 -6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.236 -5.699 -8.014 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.857 -5.437 -7.401 1.00 0.00 H new ATOM 975 N ARG A 67 11.782 -6.647 -4.924 1.00 0.00 N ATOM 976 CA ARG A 67 11.684 -7.776 -4.004 1.00 0.00 C ATOM 977 C ARG A 67 10.408 -7.680 -3.166 1.00 0.00 C ATOM 978 O ARG A 67 10.432 -7.838 -1.943 1.00 0.00 O ATOM 979 CB ARG A 67 12.901 -7.810 -3.073 1.00 0.00 C ATOM 980 CG ARG A 67 13.087 -9.227 -2.524 1.00 0.00 C ATOM 981 CD ARG A 67 14.579 -9.523 -2.364 1.00 0.00 C ATOM 982 NE ARG A 67 14.856 -10.932 -2.628 1.00 0.00 N ATOM 983 CZ ARG A 67 15.180 -11.350 -3.849 1.00 0.00 C ATOM 984 NH1 ARG A 67 14.587 -10.837 -4.892 1.00 0.00 N ATOM 985 NH2 ARG A 67 16.089 -12.274 -4.003 1.00 0.00 N ATOM 0 H ARG A 67 11.918 -5.741 -4.476 1.00 0.00 H new ATOM 0 HA ARG A 67 11.654 -8.692 -4.595 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.794 -7.498 -3.614 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.764 -7.106 -2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.581 -9.325 -1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.632 -9.952 -3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.154 -8.900 -3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.900 -9.267 -1.354 1.00 0.00 H new ATOM 0 HE ARG A 67 14.800 -11.606 -1.865 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.876 -10.116 -4.771 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.835 -11.157 -5.828 1.00 0.00 H new ATOM 0 HH21 ARG A 67 16.551 -12.676 -3.187 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.337 -12.594 -4.939 1.00 0.00 H new ATOM 999 N VAL A 68 9.288 -7.425 -3.838 1.00 0.00 N ATOM 1000 CA VAL A 68 8.008 -7.317 -3.143 1.00 0.00 C ATOM 1001 C VAL A 68 7.268 -8.656 -3.180 1.00 0.00 C ATOM 1002 O VAL A 68 6.889 -9.143 -4.245 1.00 0.00 O ATOM 1003 CB VAL A 68 7.136 -6.214 -3.772 1.00 0.00 C ATOM 1004 CG1 VAL A 68 6.747 -6.585 -5.209 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.865 -6.030 -2.937 1.00 0.00 C ATOM 0 H VAL A 68 9.240 -7.291 -4.848 1.00 0.00 H new ATOM 0 HA VAL A 68 8.206 -7.051 -2.105 1.00 0.00 H new ATOM 0 HB VAL A 68 7.708 -5.287 -3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.131 -5.793 -5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.648 -6.707 -5.810 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.185 -7.519 -5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.247 -5.250 -3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.306 -6.966 -2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.136 -5.744 -1.921 1.00 0.00 H new ATOM 1015 N ASP A 69 7.070 -9.244 -2.004 1.00 0.00 N ATOM 1016 CA ASP A 69 6.378 -10.526 -1.914 1.00 0.00 C ATOM 1017 C ASP A 69 4.911 -10.315 -1.559 1.00 0.00 C ATOM 1018 O ASP A 69 4.021 -10.937 -2.139 1.00 0.00 O ATOM 1019 CB ASP A 69 7.028 -11.410 -0.847 1.00 0.00 C ATOM 1020 CG ASP A 69 8.453 -11.751 -1.268 1.00 0.00 C ATOM 1021 OD1 ASP A 69 9.347 -10.995 -0.926 1.00 0.00 O ATOM 1022 OD2 ASP A 69 8.630 -12.763 -1.925 1.00 0.00 O ATOM 0 H ASP A 69 7.375 -8.859 -1.110 1.00 0.00 H new ATOM 0 HA ASP A 69 6.449 -11.017 -2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.035 -10.894 0.113 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.448 -12.323 -0.714 1.00 0.00 H new ATOM 1027 N THR A 70 4.669 -9.430 -0.596 1.00 0.00 N ATOM 1028 CA THR A 70 3.304 -9.141 -0.168 1.00 0.00 C ATOM 1029 C THR A 70 2.682 -8.055 -1.053 1.00 0.00 C ATOM 1030 O THR A 70 3.394 -7.204 -1.587 1.00 0.00 O ATOM 1031 CB THR A 70 3.289 -8.666 1.288 1.00 0.00 C ATOM 1032 OG1 THR A 70 4.423 -7.845 1.526 1.00 0.00 O ATOM 1033 CG2 THR A 70 3.326 -9.876 2.222 1.00 0.00 C ATOM 0 H THR A 70 5.391 -8.906 -0.102 1.00 0.00 H new ATOM 0 HA THR A 70 2.723 -10.059 -0.257 1.00 0.00 H new ATOM 0 HB THR A 70 2.380 -8.095 1.476 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.441 -7.577 2.469 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.315 -9.537 3.258 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.455 -10.505 2.037 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.234 -10.450 2.038 1.00 0.00 H new ATOM 1041 N PRO A 71 1.348 -8.065 -1.220 1.00 0.00 N ATOM 1042 CA PRO A 71 0.660 -7.059 -2.050 1.00 0.00 C ATOM 1043 C PRO A 71 0.419 -5.754 -1.299 1.00 0.00 C ATOM 1044 O PRO A 71 0.652 -4.665 -1.822 1.00 0.00 O ATOM 1045 CB PRO A 71 -0.661 -7.749 -2.367 1.00 0.00 C ATOM 1046 CG PRO A 71 -0.904 -8.777 -1.269 1.00 0.00 C ATOM 1047 CD PRO A 71 0.444 -9.063 -0.600 1.00 0.00 C ATOM 0 HA PRO A 71 1.238 -6.770 -2.928 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.475 -7.025 -2.404 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.619 -8.231 -3.344 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.621 -8.398 -0.541 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.327 -9.691 -1.686 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.391 -8.941 0.482 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.779 -10.083 -0.789 1.00 0.00 H new ATOM 1055 N ARG A 72 -0.051 -5.880 -0.059 1.00 0.00 N ATOM 1056 CA ARG A 72 -0.325 -4.707 0.770 1.00 0.00 C ATOM 1057 C ARG A 72 0.930 -3.849 0.933 1.00 0.00 C ATOM 1058 O ARG A 72 0.847 -2.637 1.129 1.00 0.00 O ATOM 1059 CB ARG A 72 -0.811 -5.138 2.155 1.00 0.00 C ATOM 1060 CG ARG A 72 -1.488 -3.954 2.849 1.00 0.00 C ATOM 1061 CD ARG A 72 -2.395 -4.472 3.967 1.00 0.00 C ATOM 1062 NE ARG A 72 -3.517 -3.563 4.182 1.00 0.00 N ATOM 1063 CZ ARG A 72 -4.662 -3.999 4.701 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -4.697 -4.430 5.932 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -5.749 -3.997 3.979 1.00 0.00 N ATOM 0 H ARG A 72 -0.249 -6.774 0.391 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.098 -4.122 0.272 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.511 -5.969 2.064 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.029 -5.492 2.753 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.736 -3.280 3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.071 -3.381 2.128 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.768 -5.464 3.710 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.822 -4.576 4.889 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.422 -2.579 3.931 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.847 -4.433 6.496 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.574 -4.764 6.331 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.721 -3.661 3.016 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.626 -4.331 4.377 1.00 0.00 H new ATOM 1079 N GLU A 73 2.094 -4.491 0.850 1.00 0.00 N ATOM 1080 CA GLU A 73 3.358 -3.773 0.990 1.00 0.00 C ATOM 1081 C GLU A 73 3.538 -2.778 -0.153 1.00 0.00 C ATOM 1082 O GLU A 73 3.862 -1.611 0.066 1.00 0.00 O ATOM 1083 CB GLU A 73 4.535 -4.751 0.988 1.00 0.00 C ATOM 1084 CG GLU A 73 5.790 -4.044 1.505 1.00 0.00 C ATOM 1085 CD GLU A 73 5.785 -4.047 3.030 1.00 0.00 C ATOM 1086 OE1 GLU A 73 5.384 -5.048 3.600 1.00 0.00 O ATOM 1087 OE2 GLU A 73 6.182 -3.047 3.605 1.00 0.00 O ATOM 0 H GLU A 73 2.188 -5.494 0.689 1.00 0.00 H new ATOM 0 HA GLU A 73 3.334 -3.236 1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.306 -5.613 1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.707 -5.127 -0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.683 -4.547 1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.822 -3.020 1.133 1.00 0.00 H new ATOM 1094 N LEU A 74 3.322 -3.255 -1.380 1.00 0.00 N ATOM 1095 CA LEU A 74 3.461 -2.404 -2.566 1.00 0.00 C ATOM 1096 C LEU A 74 2.600 -1.148 -2.439 1.00 0.00 C ATOM 1097 O LEU A 74 2.989 -0.063 -2.871 1.00 0.00 O ATOM 1098 CB LEU A 74 3.042 -3.171 -3.822 1.00 0.00 C ATOM 1099 CG LEU A 74 3.834 -2.657 -5.025 1.00 0.00 C ATOM 1100 CD1 LEU A 74 5.081 -3.522 -5.223 1.00 0.00 C ATOM 1101 CD2 LEU A 74 2.961 -2.732 -6.280 1.00 0.00 C ATOM 0 H LEU A 74 3.052 -4.218 -1.579 1.00 0.00 H new ATOM 0 HA LEU A 74 4.508 -2.112 -2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.220 -4.238 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.973 -3.046 -3.997 1.00 0.00 H new ATOM 0 HG LEU A 74 4.131 -1.623 -4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.646 -3.156 -6.080 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.704 -3.472 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.783 -4.555 -5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.525 -2.366 -7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.664 -3.766 -6.455 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.071 -2.118 -6.142 1.00 0.00 H new ATOM 1113 N LEU A 75 1.429 -1.311 -1.833 1.00 0.00 N ATOM 1114 CA LEU A 75 0.514 -0.190 -1.643 1.00 0.00 C ATOM 1115 C LEU A 75 1.134 0.844 -0.707 1.00 0.00 C ATOM 1116 O LEU A 75 1.153 2.032 -1.004 1.00 0.00 O ATOM 1117 CB LEU A 75 -0.813 -0.689 -1.055 1.00 0.00 C ATOM 1118 CG LEU A 75 -1.796 0.475 -0.870 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -2.589 0.698 -2.159 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -2.754 0.132 0.271 1.00 0.00 C ATOM 0 H LEU A 75 1.092 -2.201 -1.467 1.00 0.00 H new ATOM 0 HA LEU A 75 0.326 0.275 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.250 -1.439 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.632 -1.175 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.247 1.386 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.284 1.526 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.903 0.934 -2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.146 -0.206 -2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.459 0.951 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.301 -0.778 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.186 -0.022 1.189 1.00 0.00 H new ATOM 1132 N ASP A 76 1.624 0.382 0.434 1.00 0.00 N ATOM 1133 CA ASP A 76 2.231 1.289 1.406 1.00 0.00 C ATOM 1134 C ASP A 76 3.583 1.827 0.918 1.00 0.00 C ATOM 1135 O ASP A 76 4.155 2.725 1.535 1.00 0.00 O ATOM 1136 CB ASP A 76 2.437 0.577 2.744 1.00 0.00 C ATOM 1137 CG ASP A 76 1.160 0.669 3.571 1.00 0.00 C ATOM 1138 OD1 ASP A 76 1.009 1.645 4.287 1.00 0.00 O ATOM 1139 OD2 ASP A 76 0.350 -0.239 3.477 1.00 0.00 O ATOM 0 H ASP A 76 1.616 -0.600 0.710 1.00 0.00 H new ATOM 0 HA ASP A 76 1.546 2.128 1.530 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.699 -0.467 2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.267 1.031 3.285 1.00 0.00 H new ATOM 1144 N LEU A 77 4.096 1.276 -0.185 1.00 0.00 N ATOM 1145 CA LEU A 77 5.382 1.730 -0.715 1.00 0.00 C ATOM 1146 C LEU A 77 5.203 2.964 -1.594 1.00 0.00 C ATOM 1147 O LEU A 77 5.768 4.023 -1.324 1.00 0.00 O ATOM 1148 CB LEU A 77 6.043 0.627 -1.545 1.00 0.00 C ATOM 1149 CG LEU A 77 6.542 -0.478 -0.616 1.00 0.00 C ATOM 1150 CD1 LEU A 77 6.646 -1.797 -1.389 1.00 0.00 C ATOM 1151 CD2 LEU A 77 7.920 -0.097 -0.066 1.00 0.00 C ATOM 0 H LEU A 77 3.651 0.530 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 77 6.017 1.980 0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.330 0.220 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.874 1.037 -2.119 1.00 0.00 H new ATOM 0 HG LEU A 77 5.840 -0.600 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.002 -2.582 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.665 -2.069 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.345 -1.679 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.278 -0.885 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.620 0.027 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.844 0.838 0.489 1.00 0.00 H new ATOM 1163 N ILE A 78 4.412 2.812 -2.651 1.00 0.00 N ATOM 1164 CA ILE A 78 4.167 3.924 -3.572 1.00 0.00 C ATOM 1165 C ILE A 78 3.289 4.980 -2.908 1.00 0.00 C ATOM 1166 O ILE A 78 3.547 6.179 -3.004 1.00 0.00 O ATOM 1167 CB ILE A 78 3.470 3.424 -4.843 1.00 0.00 C ATOM 1168 CG1 ILE A 78 4.248 2.238 -5.438 1.00 0.00 C ATOM 1169 CG2 ILE A 78 3.396 4.559 -5.870 1.00 0.00 C ATOM 1170 CD1 ILE A 78 5.680 2.659 -5.792 1.00 0.00 C ATOM 0 H ILE A 78 3.934 1.944 -2.892 1.00 0.00 H new ATOM 0 HA ILE A 78 5.130 4.363 -3.835 1.00 0.00 H new ATOM 0 HB ILE A 78 2.461 3.097 -4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.271 1.415 -4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.739 1.872 -6.330 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.900 4.201 -6.772 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.831 5.392 -5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.404 4.892 -6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.216 1.808 -6.212 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.652 3.466 -6.524 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.191 3.002 -4.893 1.00 0.00 H new ATOM 1182 N ASN A 79 2.246 4.510 -2.238 1.00 0.00 N ATOM 1183 CA ASN A 79 1.313 5.398 -1.551 1.00 0.00 C ATOM 1184 C ASN A 79 2.017 6.150 -0.427 1.00 0.00 C ATOM 1185 O ASN A 79 1.862 7.362 -0.277 1.00 0.00 O ATOM 1186 CB ASN A 79 0.157 4.587 -0.961 1.00 0.00 C ATOM 1187 CG ASN A 79 -0.977 5.514 -0.532 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -0.881 6.737 -0.661 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -2.062 4.996 -0.024 1.00 0.00 N ATOM 0 H ASN A 79 2.023 3.518 -2.154 1.00 0.00 H new ATOM 0 HA ASN A 79 0.929 6.115 -2.276 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.208 3.872 -1.698 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.508 4.011 -0.105 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.829 5.602 0.266 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.143 3.985 0.083 1.00 0.00 H new ATOM 1196 N GLY A 80 2.793 5.415 0.365 1.00 0.00 N ATOM 1197 CA GLY A 80 3.520 6.018 1.480 1.00 0.00 C ATOM 1198 C GLY A 80 4.589 6.986 0.979 1.00 0.00 C ATOM 1199 O GLY A 80 4.945 7.944 1.664 1.00 0.00 O ATOM 0 H GLY A 80 2.934 4.411 0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.822 6.546 2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.985 5.236 2.080 1.00 0.00 H new ATOM 1203 N ALA A 81 5.100 6.724 -0.222 1.00 0.00 N ATOM 1204 CA ALA A 81 6.133 7.578 -0.804 1.00 0.00 C ATOM 1205 C ALA A 81 5.623 9.006 -0.969 1.00 0.00 C ATOM 1206 O ALA A 81 6.191 9.951 -0.421 1.00 0.00 O ATOM 1207 CB ALA A 81 6.561 7.042 -2.171 1.00 0.00 C ATOM 0 H ALA A 81 4.820 5.936 -0.806 1.00 0.00 H new ATOM 0 HA ALA A 81 6.987 7.577 -0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.331 7.689 -2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.957 6.033 -2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.700 7.021 -2.839 1.00 0.00 H new ATOM 1213 N LEU A 82 4.544 9.155 -1.733 1.00 0.00 N ATOM 1214 CA LEU A 82 3.965 10.475 -1.968 1.00 0.00 C ATOM 1215 C LEU A 82 3.446 11.076 -0.665 1.00 0.00 C ATOM 1216 O LEU A 82 3.444 12.294 -0.486 1.00 0.00 O ATOM 1217 CB LEU A 82 2.809 10.383 -2.968 1.00 0.00 C ATOM 1218 CG LEU A 82 3.365 10.406 -4.392 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.369 9.740 -5.341 1.00 0.00 C ATOM 1220 CD2 LEU A 82 3.590 11.856 -4.828 1.00 0.00 C ATOM 0 H LEU A 82 4.057 8.387 -2.196 1.00 0.00 H new ATOM 0 HA LEU A 82 4.749 11.115 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.242 9.467 -2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.120 11.215 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 82 4.311 9.865 -4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.766 9.757 -6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.207 8.707 -5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.423 10.280 -5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.986 11.873 -5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.643 12.396 -4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.301 12.333 -4.153 1.00 0.00 H new ATOM 1232 N ALA A 83 3.004 10.209 0.243 1.00 0.00 N ATOM 1233 CA ALA A 83 2.480 10.665 1.529 1.00 0.00 C ATOM 1234 C ALA A 83 3.549 11.431 2.303 1.00 0.00 C ATOM 1235 O ALA A 83 3.256 12.409 2.992 1.00 0.00 O ATOM 1236 CB ALA A 83 2.018 9.474 2.370 1.00 0.00 C ATOM 0 H ALA A 83 2.998 9.197 0.115 1.00 0.00 H new ATOM 0 HA ALA A 83 1.634 11.323 1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.631 9.831 3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.233 8.936 1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.860 8.805 2.548 1.00 0.00 H new ATOM 1242 N GLU A 84 4.792 10.975 2.182 1.00 0.00 N ATOM 1243 CA GLU A 84 5.902 11.623 2.875 1.00 0.00 C ATOM 1244 C GLU A 84 6.285 12.920 2.170 1.00 0.00 C ATOM 1245 O GLU A 84 6.560 13.935 2.812 1.00 0.00 O ATOM 1246 CB GLU A 84 7.120 10.699 2.916 1.00 0.00 C ATOM 1247 CG GLU A 84 7.904 10.944 4.206 1.00 0.00 C ATOM 1248 CD GLU A 84 8.844 9.771 4.460 1.00 0.00 C ATOM 1249 OE1 GLU A 84 8.404 8.643 4.317 1.00 0.00 O ATOM 1250 OE2 GLU A 84 9.991 10.019 4.793 1.00 0.00 O ATOM 0 H GLU A 84 5.055 10.168 1.617 1.00 0.00 H new ATOM 0 HA GLU A 84 5.581 11.844 3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.802 9.658 2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.757 10.881 2.051 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.474 11.870 4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.218 11.062 5.044 1.00 0.00 H new ATOM 1257 N ALA A 85 6.300 12.875 0.842 1.00 0.00 N ATOM 1258 CA ALA A 85 6.651 14.052 0.052 1.00 0.00 C ATOM 1259 C ALA A 85 5.394 14.720 -0.495 1.00 0.00 C ATOM 1260 O ALA A 85 5.406 15.306 -1.578 1.00 0.00 O ATOM 1261 CB ALA A 85 7.556 13.661 -1.118 1.00 0.00 C ATOM 0 H ALA A 85 6.076 12.045 0.293 1.00 0.00 H new ATOM 0 HA ALA A 85 7.180 14.749 0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.808 14.550 -1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.470 13.206 -0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.036 12.948 -1.757 1.00 0.00 H new ATOM 1267 N ALA A 86 4.307 14.627 0.268 1.00 0.00 N ATOM 1268 CA ALA A 86 3.042 15.227 -0.149 1.00 0.00 C ATOM 1269 C ALA A 86 3.170 16.745 -0.215 1.00 0.00 C ATOM 1270 O ALA A 86 4.290 17.228 -0.175 1.00 0.00 O ATOM 1271 CB ALA A 86 1.928 14.864 0.833 1.00 0.00 C ATOM 1272 OXT ALA A 86 2.147 17.403 -0.304 1.00 0.00 O ATOM 0 H ALA A 86 4.276 14.148 1.168 1.00 0.00 H new ATOM 0 HA ALA A 86 2.795 14.839 -1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.993 15.319 0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.812 13.781 0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.184 15.233 1.826 1.00 0.00 H new