USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 544 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 56 GLN : amide:sc= -4.88! C(o=-7.8!,f=-2.3!) USER MOD Set 1.2: A 61 GLN : amide:sc= -2.9! K(o=-7.8!,f=-2.2) USER MOD Set 2.1: A 15 ASN : amide:sc= -10.2! C(o=-32!,f=-19!) USER MOD Set 2.2: A 16 GLN : amide:sc= -11.5! K(o=-32!,f=-19) USER MOD Set 2.3: A 27 GLN : amide:sc= -10.8! C(o=-32!,f=-24!) USER MOD Single : A 3 LYS NZ :NH3+ 140:sc= -3.69! (180deg=-6.34!) USER MOD Single : A 4 LYS NZ :NH3+ -169:sc= -0.0205 (180deg=-0.18) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 159:sc= 0.0936 (180deg=0.023) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0684 USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= 0.279 (180deg=0.191) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -3.34! USER MOD Single : A 45 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.23) USER MOD Single : A 46 LYS NZ :NH3+ -138:sc= 0.12 (180deg=-0.222) USER MOD Single : A 49 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.077) USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= -0.0257 (180deg=-0.261) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.805 USER MOD Single : A 55 THR OG1 : rot 100:sc= 0.435 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0466 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -6.093 8.808 8.212 1.00 0.00 N ATOM 21 CA ARG A 2 -5.831 7.785 9.217 1.00 0.00 C ATOM 22 C ARG A 2 -6.340 6.422 8.764 1.00 0.00 C ATOM 23 O ARG A 2 -6.858 5.643 9.564 1.00 0.00 O ATOM 24 CB ARG A 2 -6.466 8.172 10.551 1.00 0.00 C ATOM 25 CG ARG A 2 -5.783 9.352 11.217 1.00 0.00 C ATOM 26 CD ARG A 2 -6.474 9.729 12.528 1.00 0.00 C ATOM 27 NE ARG A 2 -7.866 10.119 12.316 1.00 0.00 N ATOM 28 CZ ARG A 2 -8.687 10.489 13.295 1.00 0.00 C ATOM 29 NH1 ARG A 2 -8.256 10.520 14.549 1.00 0.00 N ATOM 30 NH2 ARG A 2 -9.937 10.830 13.019 1.00 0.00 N ATOM 0 HA ARG A 2 -4.751 7.715 9.349 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.517 8.412 10.390 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.434 7.315 11.224 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.739 9.108 11.411 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.790 10.207 10.541 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.434 8.884 13.216 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.934 10.550 13.000 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.229 10.107 11.363 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.293 10.260 14.764 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.887 10.804 15.298 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.270 10.809 12.055 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -10.566 11.114 13.770 1.00 0.00 H new ATOM 44 N LYS A 3 -6.173 6.139 7.480 1.00 0.00 N ATOM 45 CA LYS A 3 -6.595 4.865 6.915 1.00 0.00 C ATOM 46 C LYS A 3 -5.386 3.951 6.760 1.00 0.00 C ATOM 47 O LYS A 3 -4.790 3.866 5.686 1.00 0.00 O ATOM 48 CB LYS A 3 -7.279 5.085 5.565 1.00 0.00 C ATOM 49 CG LYS A 3 -7.804 3.808 4.929 1.00 0.00 C ATOM 50 CD LYS A 3 -8.550 4.091 3.631 1.00 0.00 C ATOM 51 CE LYS A 3 -9.871 4.809 3.875 1.00 0.00 C ATOM 52 NZ LYS A 3 -9.676 6.191 4.397 1.00 0.00 N ATOM 0 H LYS A 3 -5.747 6.777 6.808 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.312 4.393 7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.107 5.781 5.697 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.572 5.556 4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.973 3.132 4.731 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.469 3.300 5.628 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.923 4.698 2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -8.739 3.153 3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -10.436 4.851 2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -10.468 4.236 4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.364 6.831 3.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.817 6.196 5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.711 6.512 4.178 1.00 0.00 H new ATOM 66 N LYS A 4 -5.018 3.287 7.850 1.00 0.00 N ATOM 67 CA LYS A 4 -3.867 2.399 7.851 1.00 0.00 C ATOM 68 C LYS A 4 -4.284 0.929 7.913 1.00 0.00 C ATOM 69 O LYS A 4 -4.897 0.494 8.888 1.00 0.00 O ATOM 70 CB LYS A 4 -2.939 2.721 9.029 1.00 0.00 C ATOM 71 CG LYS A 4 -3.657 2.878 10.372 1.00 0.00 C ATOM 72 CD LYS A 4 -4.328 4.241 10.488 1.00 0.00 C ATOM 73 CE LYS A 4 -5.009 4.423 11.835 1.00 0.00 C ATOM 74 NZ LYS A 4 -6.058 3.392 12.071 1.00 0.00 N ATOM 0 H LYS A 4 -5.503 3.349 8.745 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.334 2.562 6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.196 1.929 9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.398 3.642 8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.405 2.092 10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.942 2.752 11.185 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.584 5.025 10.348 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.063 4.353 9.691 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.264 4.371 12.629 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.458 5.415 11.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.622 3.655 12.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.678 3.331 11.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.607 2.469 12.236 1.00 0.00 H new ATOM 88 N LEU A 5 -3.930 0.158 6.883 1.00 0.00 N ATOM 89 CA LEU A 5 -4.250 -1.257 6.848 1.00 0.00 C ATOM 90 C LEU A 5 -3.081 -2.027 6.249 1.00 0.00 C ATOM 91 O LEU A 5 -2.461 -1.574 5.286 1.00 0.00 O ATOM 92 CB LEU A 5 -5.549 -1.510 6.061 1.00 0.00 C ATOM 93 CG LEU A 5 -5.567 -1.010 4.607 1.00 0.00 C ATOM 94 CD1 LEU A 5 -4.786 -1.942 3.691 1.00 0.00 C ATOM 95 CD2 LEU A 5 -7.003 -0.869 4.110 1.00 0.00 C ATOM 0 H LEU A 5 -3.422 0.496 6.066 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.417 -1.610 7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.745 -2.582 6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -6.372 -1.037 6.597 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.085 -0.032 4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.818 -1.560 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.750 -1.997 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.230 -2.937 3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.998 -0.514 3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.501 -1.837 4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.537 -0.155 4.737 1.00 0.00 H new ATOM 107 N ASP A 6 -2.767 -3.180 6.825 1.00 0.00 N ATOM 108 CA ASP A 6 -1.658 -3.985 6.331 1.00 0.00 C ATOM 109 C ASP A 6 -1.878 -4.314 4.853 1.00 0.00 C ATOM 110 O ASP A 6 -3.021 -4.383 4.400 1.00 0.00 O ATOM 111 CB ASP A 6 -1.524 -5.268 7.154 1.00 0.00 C ATOM 112 CG ASP A 6 -0.285 -6.059 6.792 1.00 0.00 C ATOM 113 OD1 ASP A 6 0.826 -5.498 6.884 1.00 0.00 O ATOM 114 OD2 ASP A 6 -0.425 -7.244 6.426 1.00 0.00 O ATOM 0 H ASP A 6 -3.259 -3.576 7.626 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.733 -3.418 6.432 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.494 -5.015 8.214 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.406 -5.889 7.000 1.00 0.00 H new ATOM 119 N LEU A 7 -0.798 -4.508 4.095 1.00 0.00 N ATOM 120 CA LEU A 7 -0.937 -4.815 2.673 1.00 0.00 C ATOM 121 C LEU A 7 -1.349 -6.257 2.484 1.00 0.00 C ATOM 122 O LEU A 7 -2.224 -6.548 1.682 1.00 0.00 O ATOM 123 CB LEU A 7 0.359 -4.534 1.903 1.00 0.00 C ATOM 124 CG LEU A 7 0.176 -3.675 0.632 1.00 0.00 C ATOM 125 CD1 LEU A 7 1.506 -3.120 0.146 1.00 0.00 C ATOM 126 CD2 LEU A 7 -0.506 -4.447 -0.483 1.00 0.00 C ATOM 0 H LEU A 7 0.163 -4.459 4.433 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.713 -4.163 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.060 -4.031 2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.813 -5.484 1.622 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.471 -2.842 0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.344 -2.520 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.947 -2.498 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.181 -3.944 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.614 -3.805 -1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.096 -5.317 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.491 -4.774 -0.149 1.00 0.00 H new ATOM 138 N LYS A 8 -0.723 -7.151 3.239 1.00 0.00 N ATOM 139 CA LYS A 8 -1.046 -8.572 3.160 1.00 0.00 C ATOM 140 C LYS A 8 -2.553 -8.754 3.030 1.00 0.00 C ATOM 141 O LYS A 8 -3.025 -9.454 2.141 1.00 0.00 O ATOM 142 CB LYS A 8 -0.528 -9.316 4.395 1.00 0.00 C ATOM 143 CG LYS A 8 -0.942 -10.782 4.444 1.00 0.00 C ATOM 144 CD LYS A 8 -0.385 -11.483 5.673 1.00 0.00 C ATOM 145 CE LYS A 8 -0.925 -10.875 6.960 1.00 0.00 C ATOM 146 NZ LYS A 8 -0.384 -11.561 8.166 1.00 0.00 N ATOM 0 H LYS A 8 0.009 -6.920 3.911 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.558 -8.991 2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.560 -9.254 4.416 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.894 -8.814 5.291 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.030 -10.853 4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.591 -11.289 3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.641 -12.542 5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.703 -11.417 5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.667 -9.817 6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.013 -10.939 6.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.775 -11.118 9.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.651 -12.566 8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.653 -11.479 8.176 1.00 0.00 H new ATOM 160 N LYS A 9 -3.295 -8.088 3.913 1.00 0.00 N ATOM 161 CA LYS A 9 -4.761 -8.141 3.900 1.00 0.00 C ATOM 162 C LYS A 9 -5.310 -7.596 2.586 1.00 0.00 C ATOM 163 O LYS A 9 -6.113 -8.250 1.922 1.00 0.00 O ATOM 164 CB LYS A 9 -5.336 -7.339 5.082 1.00 0.00 C ATOM 165 CG LYS A 9 -6.804 -6.943 4.947 1.00 0.00 C ATOM 166 CD LYS A 9 -7.747 -8.118 5.170 1.00 0.00 C ATOM 167 CE LYS A 9 -8.160 -8.774 3.862 1.00 0.00 C ATOM 168 NZ LYS A 9 -9.082 -9.921 4.082 1.00 0.00 N ATOM 0 H LYS A 9 -2.905 -7.502 4.651 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.064 -9.183 3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.217 -7.928 5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.742 -6.434 5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.032 -6.156 5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.975 -6.527 3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.261 -8.856 5.808 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.636 -7.774 5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.645 -8.036 3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.272 -9.119 3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.612 -10.113 3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.532 -10.763 4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.748 -9.690 4.847 1.00 0.00 H new ATOM 182 N PHE A 10 -4.871 -6.397 2.207 1.00 0.00 N ATOM 183 CA PHE A 10 -5.335 -5.793 0.962 1.00 0.00 C ATOM 184 C PHE A 10 -4.985 -6.707 -0.203 1.00 0.00 C ATOM 185 O PHE A 10 -5.686 -6.759 -1.214 1.00 0.00 O ATOM 186 CB PHE A 10 -4.717 -4.402 0.766 1.00 0.00 C ATOM 187 CG PHE A 10 -5.234 -3.646 -0.441 1.00 0.00 C ATOM 188 CD1 PHE A 10 -6.598 -3.593 -0.723 1.00 0.00 C ATOM 189 CD2 PHE A 10 -4.360 -2.977 -1.296 1.00 0.00 C ATOM 190 CE1 PHE A 10 -7.070 -2.897 -1.818 1.00 0.00 C ATOM 191 CE2 PHE A 10 -4.834 -2.283 -2.392 1.00 0.00 C ATOM 192 CZ PHE A 10 -6.189 -2.242 -2.653 1.00 0.00 C ATOM 0 H PHE A 10 -4.205 -5.833 2.735 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.417 -5.670 1.008 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.905 -3.806 1.659 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.636 -4.509 0.676 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.296 -4.104 -0.076 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.298 -3.002 -1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.130 -2.865 -2.021 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.143 -1.771 -3.046 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.559 -1.698 -3.510 1.00 0.00 H new ATOM 202 N VAL A 11 -3.898 -7.441 -0.024 1.00 0.00 N ATOM 203 CA VAL A 11 -3.415 -8.392 -1.009 1.00 0.00 C ATOM 204 C VAL A 11 -4.189 -9.704 -0.913 1.00 0.00 C ATOM 205 O VAL A 11 -4.312 -10.442 -1.891 1.00 0.00 O ATOM 206 CB VAL A 11 -1.918 -8.687 -0.788 1.00 0.00 C ATOM 207 CG1 VAL A 11 -1.418 -9.688 -1.807 1.00 0.00 C ATOM 208 CG2 VAL A 11 -1.099 -7.408 -0.842 1.00 0.00 C ATOM 0 H VAL A 11 -3.322 -7.392 0.817 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.561 -7.951 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.799 -9.120 0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.360 -9.884 -1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.979 -10.617 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.554 -9.285 -2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.047 -7.643 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.223 -6.938 -1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.440 -6.725 -0.064 1.00 0.00 H new ATOM 218 N GLU A 12 -4.696 -9.989 0.284 1.00 0.00 N ATOM 219 CA GLU A 12 -5.444 -11.208 0.540 1.00 0.00 C ATOM 220 C GLU A 12 -6.662 -11.321 -0.371 1.00 0.00 C ATOM 221 O GLU A 12 -7.184 -12.416 -0.586 1.00 0.00 O ATOM 222 CB GLU A 12 -5.875 -11.274 2.013 1.00 0.00 C ATOM 223 CG GLU A 12 -4.752 -11.578 2.971 1.00 0.00 C ATOM 224 CD GLU A 12 -5.187 -11.536 4.422 1.00 0.00 C ATOM 225 OE1 GLU A 12 -6.381 -11.269 4.680 1.00 0.00 O ATOM 226 OE2 GLU A 12 -4.333 -11.768 5.304 1.00 0.00 O ATOM 0 H GLU A 12 -4.598 -9.382 1.098 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.786 -12.050 0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.327 -10.322 2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.646 -12.037 2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.347 -12.565 2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.946 -10.860 2.818 1.00 0.00 H new ATOM 233 N ASP A 13 -7.110 -10.190 -0.908 1.00 0.00 N ATOM 234 CA ASP A 13 -8.267 -10.176 -1.798 1.00 0.00 C ATOM 235 C ASP A 13 -8.025 -11.089 -2.998 1.00 0.00 C ATOM 236 O ASP A 13 -8.615 -12.164 -3.097 1.00 0.00 O ATOM 237 CB ASP A 13 -8.564 -8.747 -2.259 1.00 0.00 C ATOM 238 CG ASP A 13 -9.820 -8.657 -3.107 1.00 0.00 C ATOM 239 OD1 ASP A 13 -10.471 -9.701 -3.321 1.00 0.00 O ATOM 240 OD2 ASP A 13 -10.153 -7.540 -3.555 1.00 0.00 O ATOM 0 H ASP A 13 -6.692 -9.274 -0.743 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.133 -10.549 -1.252 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.672 -8.103 -1.387 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.716 -8.370 -2.831 1.00 0.00 H new ATOM 245 N LYS A 14 -7.140 -10.665 -3.897 1.00 0.00 N ATOM 246 CA LYS A 14 -6.810 -11.463 -5.075 1.00 0.00 C ATOM 247 C LYS A 14 -5.353 -11.912 -5.017 1.00 0.00 C ATOM 248 O LYS A 14 -5.061 -13.108 -5.061 1.00 0.00 O ATOM 249 CB LYS A 14 -7.061 -10.675 -6.366 1.00 0.00 C ATOM 250 CG LYS A 14 -8.518 -10.248 -6.557 1.00 0.00 C ATOM 251 CD LYS A 14 -8.805 -9.856 -8.005 1.00 0.00 C ATOM 252 CE LYS A 14 -7.785 -8.861 -8.546 1.00 0.00 C ATOM 253 NZ LYS A 14 -8.176 -8.341 -9.886 1.00 0.00 N ATOM 0 H LYS A 14 -6.641 -9.778 -3.833 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.457 -12.340 -5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.429 -9.787 -6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.756 -11.284 -7.217 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.178 -11.064 -6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.740 -9.406 -5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.804 -10.750 -8.629 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.803 -9.423 -8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.684 -8.029 -7.849 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.809 -9.341 -8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.458 -7.667 -10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.248 -9.132 -10.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.096 -7.860 -9.817 1.00 0.00 H new ATOM 267 N ASN A 15 -4.446 -10.939 -4.905 1.00 0.00 N ATOM 268 CA ASN A 15 -3.014 -11.208 -4.826 1.00 0.00 C ATOM 269 C ASN A 15 -2.234 -9.895 -4.885 1.00 0.00 C ATOM 270 O ASN A 15 -2.806 -8.819 -4.716 1.00 0.00 O ATOM 271 CB ASN A 15 -2.561 -12.139 -5.959 1.00 0.00 C ATOM 272 CG ASN A 15 -2.446 -11.417 -7.288 1.00 0.00 C ATOM 273 OD1 ASN A 15 -3.436 -10.908 -7.814 1.00 0.00 O ATOM 274 ND2 ASN A 15 -1.236 -11.362 -7.840 1.00 0.00 N ATOM 0 H ASN A 15 -4.685 -9.948 -4.867 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.813 -11.707 -3.878 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.597 -12.577 -5.702 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.270 -12.962 -6.055 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.103 -10.885 -8.732 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.441 -11.797 -7.371 1.00 0.00 H new ATOM 281 N GLN A 16 -0.929 -9.989 -5.117 1.00 0.00 N ATOM 282 CA GLN A 16 -0.078 -8.803 -5.189 1.00 0.00 C ATOM 283 C GLN A 16 -0.342 -7.986 -6.447 1.00 0.00 C ATOM 284 O GLN A 16 0.078 -6.833 -6.547 1.00 0.00 O ATOM 285 CB GLN A 16 1.401 -9.198 -5.096 1.00 0.00 C ATOM 286 CG GLN A 16 1.719 -10.616 -5.576 1.00 0.00 C ATOM 287 CD GLN A 16 1.574 -10.866 -7.079 1.00 0.00 C ATOM 288 OE1 GLN A 16 1.834 -11.975 -7.544 1.00 0.00 O ATOM 289 NE2 GLN A 16 1.162 -9.866 -7.852 1.00 0.00 N ATOM 0 H GLN A 16 -0.437 -10.871 -5.258 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.326 -8.170 -4.337 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.989 -8.491 -5.682 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.724 -9.099 -4.060 1.00 0.00 H new ATOM 0 HG2 GLN A 16 2.742 -10.855 -5.285 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.067 -11.311 -5.048 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.953 -8.956 -7.441 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.055 -10.009 -8.856 1.00 0.00 H new ATOM 298 N GLU A 17 -1.037 -8.584 -7.406 1.00 0.00 N ATOM 299 CA GLU A 17 -1.349 -7.908 -8.652 1.00 0.00 C ATOM 300 C GLU A 17 -2.414 -6.841 -8.427 1.00 0.00 C ATOM 301 O GLU A 17 -2.290 -5.714 -8.900 1.00 0.00 O ATOM 302 CB GLU A 17 -1.838 -8.917 -9.690 1.00 0.00 C ATOM 303 CG GLU A 17 -2.078 -8.302 -11.050 1.00 0.00 C ATOM 304 CD GLU A 17 -2.597 -9.301 -12.065 1.00 0.00 C ATOM 305 OE1 GLU A 17 -1.890 -10.296 -12.333 1.00 0.00 O ATOM 306 OE2 GLU A 17 -3.710 -9.091 -12.591 1.00 0.00 O ATOM 0 H GLU A 17 -1.394 -9.537 -7.342 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.443 -7.428 -9.020 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.103 -9.717 -9.784 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.762 -9.374 -9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.793 -7.485 -10.953 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.147 -7.869 -11.417 1.00 0.00 H new ATOM 313 N TYR A 18 -3.459 -7.215 -7.697 1.00 0.00 N ATOM 314 CA TYR A 18 -4.561 -6.304 -7.395 1.00 0.00 C ATOM 315 C TYR A 18 -4.089 -5.132 -6.551 1.00 0.00 C ATOM 316 O TYR A 18 -4.435 -3.979 -6.812 1.00 0.00 O ATOM 317 CB TYR A 18 -5.673 -7.046 -6.646 1.00 0.00 C ATOM 318 CG TYR A 18 -6.778 -6.151 -6.119 1.00 0.00 C ATOM 319 CD1 TYR A 18 -7.468 -5.284 -6.963 1.00 0.00 C ATOM 320 CD2 TYR A 18 -7.131 -6.168 -4.772 1.00 0.00 C ATOM 321 CE1 TYR A 18 -8.470 -4.466 -6.479 1.00 0.00 C ATOM 322 CE2 TYR A 18 -8.134 -5.355 -4.286 1.00 0.00 C ATOM 323 CZ TYR A 18 -8.800 -4.505 -5.142 1.00 0.00 C ATOM 324 OH TYR A 18 -9.799 -3.692 -4.659 1.00 0.00 O ATOM 0 H TYR A 18 -3.568 -8.148 -7.300 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.944 -5.924 -8.342 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.111 -7.789 -7.313 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.232 -7.589 -5.810 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.215 -5.251 -8.013 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.610 -6.830 -4.096 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -8.993 -3.798 -7.147 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -8.396 -5.385 -3.239 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.907 -3.843 -3.697 1.00 0.00 H new ATOM 334 N ALA A 19 -3.310 -5.443 -5.529 1.00 0.00 N ATOM 335 CA ALA A 19 -2.793 -4.436 -4.623 1.00 0.00 C ATOM 336 C ALA A 19 -1.843 -3.487 -5.343 1.00 0.00 C ATOM 337 O ALA A 19 -1.862 -2.279 -5.112 1.00 0.00 O ATOM 338 CB ALA A 19 -2.104 -5.119 -3.457 1.00 0.00 C ATOM 0 H ALA A 19 -3.020 -6.395 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.621 -3.836 -4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.714 -4.365 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.820 -5.751 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.283 -5.732 -3.828 1.00 0.00 H new ATOM 344 N ALA A 20 -1.024 -4.045 -6.225 1.00 0.00 N ATOM 345 CA ALA A 20 -0.073 -3.246 -6.993 1.00 0.00 C ATOM 346 C ALA A 20 -0.781 -2.525 -8.136 1.00 0.00 C ATOM 347 O ALA A 20 -0.286 -1.527 -8.659 1.00 0.00 O ATOM 348 CB ALA A 20 1.050 -4.123 -7.530 1.00 0.00 C ATOM 0 H ALA A 20 -0.997 -5.044 -6.427 1.00 0.00 H new ATOM 0 HA ALA A 20 0.362 -2.498 -6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.749 -3.511 -8.100 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.574 -4.593 -6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.632 -4.894 -8.177 1.00 0.00 H new ATOM 354 N ARG A 21 -1.950 -3.038 -8.508 1.00 0.00 N ATOM 355 CA ARG A 21 -2.747 -2.460 -9.572 1.00 0.00 C ATOM 356 C ARG A 21 -3.445 -1.197 -9.089 1.00 0.00 C ATOM 357 O ARG A 21 -3.484 -0.184 -9.788 1.00 0.00 O ATOM 358 CB ARG A 21 -3.783 -3.471 -10.040 1.00 0.00 C ATOM 359 CG ARG A 21 -4.662 -2.941 -11.145 1.00 0.00 C ATOM 360 CD ARG A 21 -5.497 -4.041 -11.785 1.00 0.00 C ATOM 361 NE ARG A 21 -6.438 -3.513 -12.771 1.00 0.00 N ATOM 362 CZ ARG A 21 -7.427 -2.672 -12.476 1.00 0.00 C ATOM 363 NH1 ARG A 21 -7.614 -2.272 -11.226 1.00 0.00 N ATOM 364 NH2 ARG A 21 -8.232 -2.234 -13.435 1.00 0.00 N ATOM 0 H ARG A 21 -2.366 -3.864 -8.078 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.089 -2.200 -10.401 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.275 -4.371 -10.387 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.406 -3.763 -9.195 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.322 -2.171 -10.746 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.042 -2.467 -11.906 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.837 -4.764 -12.265 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.046 -4.576 -11.010 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.331 -3.806 -13.742 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.999 -2.609 -10.485 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.373 -1.628 -11.005 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.093 -2.542 -14.398 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.990 -1.590 -13.210 1.00 0.00 H new ATOM 378 N ALA A 22 -3.998 -1.274 -7.885 1.00 0.00 N ATOM 379 CA ALA A 22 -4.704 -0.154 -7.286 1.00 0.00 C ATOM 380 C ALA A 22 -3.724 0.890 -6.762 1.00 0.00 C ATOM 381 O ALA A 22 -3.827 2.071 -7.092 1.00 0.00 O ATOM 382 CB ALA A 22 -5.605 -0.657 -6.172 1.00 0.00 C ATOM 0 H ALA A 22 -3.969 -2.110 -7.301 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.318 0.325 -8.049 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.134 0.184 -5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.327 -1.364 -6.580 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.001 -1.153 -5.412 1.00 0.00 H new ATOM 388 N LEU A 23 -2.770 0.446 -5.948 1.00 0.00 N ATOM 389 CA LEU A 23 -1.769 1.345 -5.388 1.00 0.00 C ATOM 390 C LEU A 23 -0.863 1.909 -6.481 1.00 0.00 C ATOM 391 O LEU A 23 -1.163 2.948 -7.069 1.00 0.00 O ATOM 392 CB LEU A 23 -0.935 0.641 -4.308 1.00 0.00 C ATOM 393 CG LEU A 23 -1.615 0.529 -2.926 1.00 0.00 C ATOM 394 CD1 LEU A 23 -0.722 -0.215 -1.923 1.00 0.00 C ATOM 395 CD2 LEU A 23 -1.954 1.930 -2.396 1.00 0.00 C ATOM 0 H LEU A 23 -2.670 -0.528 -5.663 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.298 2.176 -4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.689 -0.362 -4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.006 1.178 -4.190 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.534 -0.045 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.229 -0.277 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.520 -1.221 -2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.218 0.324 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.433 1.844 -1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.039 2.514 -2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.631 2.428 -3.090 1.00 0.00 H new ATOM 407 N GLY A 24 0.244 1.225 -6.749 1.00 0.00 N ATOM 408 CA GLY A 24 1.167 1.685 -7.772 1.00 0.00 C ATOM 409 C GLY A 24 2.589 1.229 -7.518 1.00 0.00 C ATOM 410 O GLY A 24 3.351 1.001 -8.458 1.00 0.00 O ATOM 0 H GLY A 24 0.519 0.363 -6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.839 1.317 -8.744 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.141 2.774 -7.818 1.00 0.00 H new ATOM 414 N LEU A 25 2.944 1.097 -6.242 1.00 0.00 N ATOM 415 CA LEU A 25 4.287 0.661 -5.855 1.00 0.00 C ATOM 416 C LEU A 25 4.688 -0.590 -6.636 1.00 0.00 C ATOM 417 O LEU A 25 3.834 -1.293 -7.177 1.00 0.00 O ATOM 418 CB LEU A 25 4.352 0.365 -4.344 1.00 0.00 C ATOM 419 CG LEU A 25 3.586 -0.885 -3.874 1.00 0.00 C ATOM 420 CD1 LEU A 25 3.624 -0.979 -2.350 1.00 0.00 C ATOM 421 CD2 LEU A 25 2.133 -0.865 -4.353 1.00 0.00 C ATOM 0 H LEU A 25 2.321 1.285 -5.457 1.00 0.00 H new ATOM 0 HA LEU A 25 4.981 1.469 -6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.398 0.256 -4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.964 1.230 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 25 4.074 -1.758 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.080 -1.866 -2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.659 -1.046 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.160 -0.092 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.622 -1.762 -4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.631 0.017 -3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.109 -0.836 -5.442 1.00 0.00 H new ATOM 433 N SER A 26 5.988 -0.869 -6.692 1.00 0.00 N ATOM 434 CA SER A 26 6.480 -2.039 -7.409 1.00 0.00 C ATOM 435 C SER A 26 6.029 -3.319 -6.713 1.00 0.00 C ATOM 436 O SER A 26 5.399 -3.272 -5.657 1.00 0.00 O ATOM 437 CB SER A 26 8.006 -2.008 -7.500 1.00 0.00 C ATOM 438 OG SER A 26 8.488 -3.014 -8.375 1.00 0.00 O ATOM 0 H SER A 26 6.714 -0.304 -6.252 1.00 0.00 H new ATOM 0 HA SER A 26 6.066 -2.020 -8.417 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.332 -1.029 -7.852 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.435 -2.149 -6.508 1.00 0.00 H new ATOM 0 HG SER A 26 9.466 -2.971 -8.416 1.00 0.00 H new ATOM 444 N GLN A 27 6.358 -4.460 -7.307 1.00 0.00 N ATOM 445 CA GLN A 27 5.985 -5.748 -6.736 1.00 0.00 C ATOM 446 C GLN A 27 6.920 -6.147 -5.605 1.00 0.00 C ATOM 447 O GLN A 27 6.533 -6.897 -4.708 1.00 0.00 O ATOM 448 CB GLN A 27 5.947 -6.823 -7.819 1.00 0.00 C ATOM 449 CG GLN A 27 4.561 -6.982 -8.409 1.00 0.00 C ATOM 450 CD GLN A 27 3.561 -7.401 -7.351 1.00 0.00 C ATOM 451 OE1 GLN A 27 3.456 -8.581 -7.025 1.00 0.00 O ATOM 452 NE2 GLN A 27 2.858 -6.431 -6.771 1.00 0.00 N ATOM 0 H GLN A 27 6.881 -4.520 -8.181 1.00 0.00 H new ATOM 0 HA GLN A 27 4.985 -5.650 -6.313 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.651 -6.566 -8.610 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.274 -7.774 -7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.245 -6.042 -8.860 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.585 -7.726 -9.206 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.977 -5.464 -7.073 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.200 -6.654 -6.024 1.00 0.00 H new ATOM 461 N LYS A 28 8.143 -5.633 -5.632 1.00 0.00 N ATOM 462 CA LYS A 28 9.105 -5.936 -4.582 1.00 0.00 C ATOM 463 C LYS A 28 8.790 -5.111 -3.341 1.00 0.00 C ATOM 464 O LYS A 28 8.987 -5.568 -2.227 1.00 0.00 O ATOM 465 CB LYS A 28 10.535 -5.650 -5.043 1.00 0.00 C ATOM 466 CG LYS A 28 10.870 -6.205 -6.422 1.00 0.00 C ATOM 467 CD LYS A 28 10.951 -7.727 -6.431 1.00 0.00 C ATOM 468 CE LYS A 28 11.995 -8.240 -5.451 1.00 0.00 C ATOM 469 NZ LYS A 28 12.079 -9.726 -5.457 1.00 0.00 N ATOM 0 H LYS A 28 8.489 -5.010 -6.362 1.00 0.00 H new ATOM 0 HA LYS A 28 9.029 -6.998 -4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.694 -4.572 -5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.230 -6.070 -4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.113 -5.880 -7.135 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.821 -5.791 -6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.977 -8.145 -6.177 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.194 -8.073 -7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.968 -7.820 -5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.751 -7.894 -4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.954 -10.026 -4.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.259 -10.122 -4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.083 -10.070 -6.439 1.00 0.00 H new ATOM 483 N LEU A 29 8.273 -3.903 -3.529 1.00 0.00 N ATOM 484 CA LEU A 29 7.914 -3.075 -2.387 1.00 0.00 C ATOM 485 C LEU A 29 6.731 -3.712 -1.685 1.00 0.00 C ATOM 486 O LEU A 29 6.627 -3.681 -0.461 1.00 0.00 O ATOM 487 CB LEU A 29 7.556 -1.640 -2.808 1.00 0.00 C ATOM 488 CG LEU A 29 8.707 -0.754 -3.314 1.00 0.00 C ATOM 489 CD1 LEU A 29 9.746 -0.519 -2.218 1.00 0.00 C ATOM 490 CD2 LEU A 29 9.366 -1.367 -4.543 1.00 0.00 C ATOM 0 H LEU A 29 8.096 -3.482 -4.441 1.00 0.00 H new ATOM 0 HA LEU A 29 8.773 -3.012 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.801 -1.695 -3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.094 -1.142 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 29 8.281 0.210 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.547 0.110 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.274 -0.024 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.159 -1.475 -1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.177 -0.722 -4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.766 -2.349 -4.290 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.628 -1.470 -5.338 1.00 0.00 H new ATOM 502 N ILE A 30 5.850 -4.311 -2.479 1.00 0.00 N ATOM 503 CA ILE A 30 4.691 -4.979 -1.956 1.00 0.00 C ATOM 504 C ILE A 30 5.086 -6.203 -1.163 1.00 0.00 C ATOM 505 O ILE A 30 4.720 -6.342 0.001 1.00 0.00 O ATOM 506 CB ILE A 30 3.752 -5.387 -3.092 1.00 0.00 C ATOM 507 CG1 ILE A 30 2.835 -4.220 -3.446 1.00 0.00 C ATOM 508 CG2 ILE A 30 2.971 -6.628 -2.716 1.00 0.00 C ATOM 509 CD1 ILE A 30 1.766 -4.577 -4.438 1.00 0.00 C ATOM 0 H ILE A 30 5.929 -4.341 -3.496 1.00 0.00 H new ATOM 0 HA ILE A 30 4.175 -4.284 -1.294 1.00 0.00 H new ATOM 0 HB ILE A 30 4.338 -5.634 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.365 -3.849 -2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.436 -3.405 -3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.308 -6.903 -3.536 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.662 -7.447 -2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.379 -6.429 -1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.152 -3.700 -4.643 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.228 -4.920 -5.363 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.140 -5.370 -4.029 1.00 0.00 H new ATOM 521 N GLU A 31 5.840 -7.081 -1.802 1.00 0.00 N ATOM 522 CA GLU A 31 6.295 -8.292 -1.151 1.00 0.00 C ATOM 523 C GLU A 31 6.847 -7.945 0.224 1.00 0.00 C ATOM 524 O GLU A 31 6.600 -8.642 1.204 1.00 0.00 O ATOM 525 CB GLU A 31 7.360 -8.972 -2.000 1.00 0.00 C ATOM 526 CG GLU A 31 8.598 -8.161 -2.144 1.00 0.00 C ATOM 527 CD GLU A 31 9.736 -8.918 -2.797 1.00 0.00 C ATOM 528 OE1 GLU A 31 9.562 -9.375 -3.946 1.00 0.00 O ATOM 529 OE2 GLU A 31 10.801 -9.056 -2.159 1.00 0.00 O ATOM 0 H GLU A 31 6.148 -6.976 -2.769 1.00 0.00 H new ATOM 0 HA GLU A 31 5.459 -8.982 -1.035 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.613 -9.934 -1.553 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.951 -9.178 -2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.376 -7.272 -2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.916 -7.818 -1.160 1.00 0.00 H new ATOM 536 N GLU A 32 7.580 -6.840 0.271 1.00 0.00 N ATOM 537 CA GLU A 32 8.179 -6.350 1.524 1.00 0.00 C ATOM 538 C GLU A 32 7.108 -6.080 2.579 1.00 0.00 C ATOM 539 O GLU A 32 7.159 -6.624 3.677 1.00 0.00 O ATOM 540 CB GLU A 32 9.007 -5.059 1.322 1.00 0.00 C ATOM 541 CG GLU A 32 10.105 -5.169 0.283 1.00 0.00 C ATOM 542 CD GLU A 32 11.104 -4.032 0.373 1.00 0.00 C ATOM 543 OE1 GLU A 32 10.690 -2.864 0.220 1.00 0.00 O ATOM 544 OE2 GLU A 32 12.301 -4.310 0.597 1.00 0.00 O ATOM 0 H GLU A 32 7.779 -6.258 -0.543 1.00 0.00 H new ATOM 0 HA GLU A 32 8.847 -7.142 1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.333 -4.252 1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.454 -4.777 2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.627 -6.118 0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.660 -5.180 -0.712 1.00 0.00 H new ATOM 551 N VAL A 33 6.147 -5.228 2.243 1.00 0.00 N ATOM 552 CA VAL A 33 5.077 -4.875 3.168 1.00 0.00 C ATOM 553 C VAL A 33 4.266 -6.101 3.545 1.00 0.00 C ATOM 554 O VAL A 33 3.820 -6.252 4.681 1.00 0.00 O ATOM 555 CB VAL A 33 4.136 -3.835 2.541 1.00 0.00 C ATOM 556 CG1 VAL A 33 3.224 -3.227 3.594 1.00 0.00 C ATOM 557 CG2 VAL A 33 4.932 -2.764 1.811 1.00 0.00 C ATOM 0 H VAL A 33 6.087 -4.768 1.335 1.00 0.00 H new ATOM 0 HA VAL A 33 5.541 -4.456 4.061 1.00 0.00 H new ATOM 0 HB VAL A 33 3.504 -4.339 1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.567 -2.494 3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.623 -4.013 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.827 -2.738 4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.248 -2.037 1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.595 -2.261 2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.524 -3.226 1.021 1.00 0.00 H new ATOM 567 N LEU A 34 4.085 -6.967 2.568 1.00 0.00 N ATOM 568 CA LEU A 34 3.342 -8.189 2.732 1.00 0.00 C ATOM 569 C LEU A 34 4.030 -9.117 3.725 1.00 0.00 C ATOM 570 O LEU A 34 3.674 -9.178 4.902 1.00 0.00 O ATOM 571 CB LEU A 34 3.243 -8.862 1.372 1.00 0.00 C ATOM 572 CG LEU A 34 2.146 -9.889 1.229 1.00 0.00 C ATOM 573 CD1 LEU A 34 2.069 -10.397 -0.201 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.341 -11.031 2.205 1.00 0.00 C ATOM 0 H LEU A 34 4.457 -6.835 1.627 1.00 0.00 H new ATOM 0 HA LEU A 34 2.350 -7.966 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.095 -8.091 0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.197 -9.343 1.155 1.00 0.00 H new ATOM 0 HG LEU A 34 1.197 -9.408 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.272 -11.136 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.861 -9.564 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.019 -10.856 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.537 -11.757 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.299 -11.514 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.327 -10.645 3.224 1.00 0.00 H new ATOM 586 N LYS A 35 5.000 -9.853 3.211 1.00 0.00 N ATOM 587 CA LYS A 35 5.759 -10.826 4.002 1.00 0.00 C ATOM 588 C LYS A 35 6.293 -10.242 5.314 1.00 0.00 C ATOM 589 O LYS A 35 6.319 -10.929 6.335 1.00 0.00 O ATOM 590 CB LYS A 35 6.940 -11.374 3.196 1.00 0.00 C ATOM 591 CG LYS A 35 8.038 -10.355 2.989 1.00 0.00 C ATOM 592 CD LYS A 35 9.169 -10.887 2.124 1.00 0.00 C ATOM 593 CE LYS A 35 10.264 -9.845 1.945 1.00 0.00 C ATOM 594 NZ LYS A 35 11.397 -10.363 1.131 1.00 0.00 N ATOM 0 H LYS A 35 5.289 -9.798 2.234 1.00 0.00 H new ATOM 0 HA LYS A 35 5.059 -11.625 4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.351 -12.243 3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.582 -11.717 2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.618 -9.463 2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.437 -10.053 3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.588 -11.784 2.580 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.778 -11.178 1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.847 -8.960 1.465 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.632 -9.534 2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.121 -9.623 1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.812 -11.193 1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.051 -10.636 0.189 1.00 0.00 H new ATOM 608 N ARG A 36 6.759 -8.995 5.277 1.00 0.00 N ATOM 609 CA ARG A 36 7.332 -8.365 6.464 1.00 0.00 C ATOM 610 C ARG A 36 6.272 -7.697 7.333 1.00 0.00 C ATOM 611 O ARG A 36 6.563 -7.256 8.445 1.00 0.00 O ATOM 612 CB ARG A 36 8.393 -7.347 6.059 1.00 0.00 C ATOM 613 CG ARG A 36 9.461 -7.943 5.169 1.00 0.00 C ATOM 614 CD ARG A 36 10.682 -7.059 5.078 1.00 0.00 C ATOM 615 NE ARG A 36 10.407 -5.797 4.397 1.00 0.00 N ATOM 616 CZ ARG A 36 11.329 -4.863 4.179 1.00 0.00 C ATOM 617 NH1 ARG A 36 12.574 -5.046 4.599 1.00 0.00 N ATOM 618 NH2 ARG A 36 11.008 -3.747 3.540 1.00 0.00 N ATOM 0 H ARG A 36 6.751 -8.405 4.445 1.00 0.00 H new ATOM 0 HA ARG A 36 7.791 -9.155 7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.915 -6.516 5.540 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.859 -6.937 6.955 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.750 -8.921 5.555 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.053 -8.102 4.171 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.054 -6.853 6.082 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.473 -7.590 4.548 1.00 0.00 H new ATOM 0 HE ARG A 36 9.457 -5.622 4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.826 -5.904 5.090 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.280 -4.329 4.431 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.052 -3.603 3.214 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.717 -3.032 3.374 1.00 0.00 H new ATOM 632 N GLY A 37 5.046 -7.617 6.824 1.00 0.00 N ATOM 633 CA GLY A 37 3.977 -6.990 7.579 1.00 0.00 C ATOM 634 C GLY A 37 4.331 -5.576 7.994 1.00 0.00 C ATOM 635 O GLY A 37 4.167 -5.200 9.155 1.00 0.00 O ATOM 0 H GLY A 37 4.775 -7.973 5.907 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.068 -6.975 6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.762 -7.585 8.466 1.00 0.00 H new ATOM 639 N LEU A 38 4.824 -4.794 7.039 1.00 0.00 N ATOM 640 CA LEU A 38 5.213 -3.413 7.299 1.00 0.00 C ATOM 641 C LEU A 38 3.986 -2.501 7.276 1.00 0.00 C ATOM 642 O LEU A 38 3.017 -2.782 6.571 1.00 0.00 O ATOM 643 CB LEU A 38 6.226 -2.946 6.240 1.00 0.00 C ATOM 644 CG LEU A 38 7.491 -3.805 6.072 1.00 0.00 C ATOM 645 CD1 LEU A 38 8.332 -3.244 4.944 1.00 0.00 C ATOM 646 CD2 LEU A 38 8.321 -3.884 7.350 1.00 0.00 C ATOM 0 H LEU A 38 4.964 -5.095 6.074 1.00 0.00 H new ATOM 0 HA LEU A 38 5.673 -3.360 8.286 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.716 -2.899 5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.534 -1.930 6.488 1.00 0.00 H new ATOM 0 HG LEU A 38 7.171 -4.820 5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.229 -3.851 4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.756 -3.259 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.617 -2.218 5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.201 -4.502 7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.634 -2.882 7.643 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.721 -4.324 8.147 1.00 0.00 H new ATOM 658 N PRO A 39 4.003 -1.389 8.040 1.00 0.00 N ATOM 659 CA PRO A 39 2.874 -0.454 8.073 1.00 0.00 C ATOM 660 C PRO A 39 2.772 0.353 6.784 1.00 0.00 C ATOM 661 O PRO A 39 3.770 0.875 6.287 1.00 0.00 O ATOM 662 CB PRO A 39 3.203 0.458 9.257 1.00 0.00 C ATOM 663 CG PRO A 39 4.688 0.441 9.335 1.00 0.00 C ATOM 664 CD PRO A 39 5.109 -0.949 8.919 1.00 0.00 C ATOM 0 HA PRO A 39 1.915 -0.963 8.172 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.825 1.468 9.098 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.752 0.091 10.179 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.122 1.194 8.677 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.029 0.666 10.346 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.063 -0.940 8.392 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.226 -1.608 9.779 1.00 0.00 H new ATOM 672 N VAL A 40 1.563 0.442 6.240 1.00 0.00 N ATOM 673 CA VAL A 40 1.335 1.176 5.001 1.00 0.00 C ATOM 674 C VAL A 40 -0.066 1.805 4.996 1.00 0.00 C ATOM 675 O VAL A 40 -1.011 1.214 5.525 1.00 0.00 O ATOM 676 CB VAL A 40 1.491 0.240 3.783 1.00 0.00 C ATOM 677 CG1 VAL A 40 0.458 -0.880 3.836 1.00 0.00 C ATOM 678 CG2 VAL A 40 1.383 1.009 2.476 1.00 0.00 C ATOM 0 H VAL A 40 0.726 0.015 6.638 1.00 0.00 H new ATOM 0 HA VAL A 40 2.078 1.971 4.936 1.00 0.00 H new ATOM 0 HB VAL A 40 2.486 -0.202 3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.582 -1.531 2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.597 -1.460 4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.544 -0.451 3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.497 0.321 1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.408 1.493 2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.166 1.766 2.433 1.00 0.00 H new ATOM 688 N TYR A 41 -0.211 2.999 4.406 1.00 0.00 N ATOM 689 CA TYR A 41 -1.510 3.664 4.362 1.00 0.00 C ATOM 690 C TYR A 41 -1.978 3.825 2.921 1.00 0.00 C ATOM 691 O TYR A 41 -1.172 4.059 2.023 1.00 0.00 O ATOM 692 CB TYR A 41 -1.448 5.049 5.029 1.00 0.00 C ATOM 693 CG TYR A 41 -1.139 5.042 6.515 1.00 0.00 C ATOM 694 CD1 TYR A 41 -0.128 4.242 7.031 1.00 0.00 C ATOM 695 CD2 TYR A 41 -1.841 5.858 7.402 1.00 0.00 C ATOM 696 CE1 TYR A 41 0.172 4.245 8.377 1.00 0.00 C ATOM 697 CE2 TYR A 41 -1.543 5.867 8.750 1.00 0.00 C ATOM 698 CZ TYR A 41 -0.536 5.059 9.233 1.00 0.00 C ATOM 699 OH TYR A 41 -0.237 5.067 10.575 1.00 0.00 O ATOM 0 H TYR A 41 0.547 3.515 3.959 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.217 3.040 4.909 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.690 5.645 4.520 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.404 5.550 4.876 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.435 3.605 6.365 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.631 6.493 7.028 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.959 3.611 8.758 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.097 6.505 9.423 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.828 5.696 11.038 1.00 0.00 H new ATOM 709 N VAL A 42 -3.284 3.722 2.708 1.00 0.00 N ATOM 710 CA VAL A 42 -3.851 3.883 1.374 1.00 0.00 C ATOM 711 C VAL A 42 -5.105 4.761 1.439 1.00 0.00 C ATOM 712 O VAL A 42 -6.125 4.378 2.009 1.00 0.00 O ATOM 713 CB VAL A 42 -4.180 2.518 0.695 1.00 0.00 C ATOM 714 CG1 VAL A 42 -2.946 1.626 0.603 1.00 0.00 C ATOM 715 CG2 VAL A 42 -5.294 1.786 1.434 1.00 0.00 C ATOM 0 H VAL A 42 -3.969 3.528 3.439 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.095 4.370 0.758 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.520 2.741 -0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.213 0.684 0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.178 2.127 0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.564 1.429 1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.500 0.839 0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.985 1.596 2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.195 2.399 1.433 1.00 0.00 H new ATOM 725 N GLU A 43 -5.007 5.956 0.862 1.00 0.00 N ATOM 726 CA GLU A 43 -6.123 6.914 0.858 1.00 0.00 C ATOM 727 C GLU A 43 -6.730 7.052 -0.539 1.00 0.00 C ATOM 728 O GLU A 43 -6.234 7.821 -1.363 1.00 0.00 O ATOM 729 CB GLU A 43 -5.627 8.271 1.351 1.00 0.00 C ATOM 730 CG GLU A 43 -6.662 9.381 1.260 1.00 0.00 C ATOM 731 CD GLU A 43 -7.903 9.094 2.083 1.00 0.00 C ATOM 732 OE1 GLU A 43 -7.775 8.933 3.315 1.00 0.00 O ATOM 733 OE2 GLU A 43 -9.003 9.030 1.496 1.00 0.00 O ATOM 0 H GLU A 43 -4.167 6.290 0.389 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.902 6.542 1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.305 8.173 2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.750 8.558 0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.216 10.317 1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.947 9.522 0.217 1.00 0.00 H new ATOM 740 N THR A 44 -7.782 6.275 -0.816 1.00 0.00 N ATOM 741 CA THR A 44 -8.417 6.284 -2.133 1.00 0.00 C ATOM 742 C THR A 44 -9.135 7.599 -2.422 1.00 0.00 C ATOM 743 O THR A 44 -9.575 8.300 -1.510 1.00 0.00 O ATOM 744 CB THR A 44 -9.393 5.112 -2.262 1.00 0.00 C ATOM 745 OG1 THR A 44 -9.110 4.117 -1.294 1.00 0.00 O ATOM 746 CG2 THR A 44 -9.341 4.442 -3.622 1.00 0.00 C ATOM 0 H THR A 44 -8.209 5.635 -0.147 1.00 0.00 H new ATOM 0 HA THR A 44 -7.623 6.178 -2.872 1.00 0.00 H new ATOM 0 HB THR A 44 -10.384 5.542 -2.115 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.745 3.377 -1.391 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.056 3.619 -3.650 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.593 5.168 -4.395 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.337 4.057 -3.800 1.00 0.00 H new ATOM 754 N ASN A 45 -9.247 7.917 -3.709 1.00 0.00 N ATOM 755 CA ASN A 45 -9.907 9.135 -4.160 1.00 0.00 C ATOM 756 C ASN A 45 -11.155 8.797 -4.972 1.00 0.00 C ATOM 757 O ASN A 45 -12.250 8.677 -4.424 1.00 0.00 O ATOM 758 CB ASN A 45 -8.941 9.972 -5.008 1.00 0.00 C ATOM 759 CG ASN A 45 -9.612 11.178 -5.635 1.00 0.00 C ATOM 760 OD1 ASN A 45 -10.111 12.059 -4.935 1.00 0.00 O ATOM 761 ND2 ASN A 45 -9.628 11.222 -6.964 1.00 0.00 N ATOM 0 H ASN A 45 -8.883 7.338 -4.466 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.206 9.712 -3.285 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.111 10.305 -4.385 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.518 9.347 -5.794 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.066 12.009 -7.443 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -9.202 10.469 -7.504 1.00 0.00 H new ATOM 768 N LYS A 46 -10.977 8.638 -6.281 1.00 0.00 N ATOM 769 CA LYS A 46 -12.080 8.307 -7.174 1.00 0.00 C ATOM 770 C LYS A 46 -11.595 7.469 -8.352 1.00 0.00 C ATOM 771 O LYS A 46 -10.428 7.544 -8.737 1.00 0.00 O ATOM 772 CB LYS A 46 -12.761 9.578 -7.687 1.00 0.00 C ATOM 773 CG LYS A 46 -13.584 10.299 -6.632 1.00 0.00 C ATOM 774 CD LYS A 46 -14.718 9.423 -6.124 1.00 0.00 C ATOM 775 CE LYS A 46 -15.567 10.147 -5.096 1.00 0.00 C ATOM 776 NZ LYS A 46 -14.769 10.569 -3.912 1.00 0.00 N ATOM 0 H LYS A 46 -10.075 8.734 -6.747 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.804 7.723 -6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.000 10.258 -8.069 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.408 9.320 -8.526 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.942 10.586 -5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -13.992 11.219 -7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -15.344 9.115 -6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.307 8.515 -5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -16.025 11.023 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -16.379 9.496 -4.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -15.313 10.387 -3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.880 10.030 -3.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -14.556 11.585 -3.981 1.00 0.00 H new ATOM 790 N ASP A 47 -12.500 6.673 -8.920 1.00 0.00 N ATOM 791 CA ASP A 47 -12.170 5.815 -10.062 1.00 0.00 C ATOM 792 C ASP A 47 -11.145 4.745 -9.685 1.00 0.00 C ATOM 793 O ASP A 47 -10.813 3.883 -10.499 1.00 0.00 O ATOM 794 CB ASP A 47 -11.641 6.656 -11.226 1.00 0.00 C ATOM 795 CG ASP A 47 -12.650 7.682 -11.704 1.00 0.00 C ATOM 796 OD1 ASP A 47 -13.752 7.276 -12.129 1.00 0.00 O ATOM 797 OD2 ASP A 47 -12.337 8.890 -11.655 1.00 0.00 O ATOM 0 H ASP A 47 -13.469 6.603 -8.609 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.086 5.311 -10.369 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.728 7.165 -10.917 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.375 5.999 -12.054 1.00 0.00 H new ATOM 802 N GLY A 48 -10.647 4.802 -8.452 1.00 0.00 N ATOM 803 CA GLY A 48 -9.668 3.827 -8.003 1.00 0.00 C ATOM 804 C GLY A 48 -8.317 4.447 -7.704 1.00 0.00 C ATOM 805 O GLY A 48 -7.429 3.785 -7.167 1.00 0.00 O ATOM 0 H GLY A 48 -10.903 5.504 -7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.041 3.330 -7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.549 3.059 -8.768 1.00 0.00 H new ATOM 809 N ASN A 49 -8.161 5.722 -8.048 1.00 0.00 N ATOM 810 CA ASN A 49 -6.910 6.432 -7.808 1.00 0.00 C ATOM 811 C ASN A 49 -6.660 6.573 -6.315 1.00 0.00 C ATOM 812 O ASN A 49 -7.436 7.227 -5.617 1.00 0.00 O ATOM 813 CB ASN A 49 -6.963 7.828 -8.436 1.00 0.00 C ATOM 814 CG ASN A 49 -7.321 7.796 -9.913 1.00 0.00 C ATOM 815 OD1 ASN A 49 -6.634 7.159 -10.712 1.00 0.00 O ATOM 816 ND2 ASN A 49 -8.397 8.488 -10.289 1.00 0.00 N ATOM 0 H ASN A 49 -8.886 6.284 -8.494 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.102 5.858 -8.260 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.695 8.434 -7.902 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.995 8.314 -8.312 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.677 8.502 -11.270 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.940 9.003 -9.596 1.00 0.00 H new ATOM 823 N ILE A 50 -5.586 5.972 -5.817 1.00 0.00 N ATOM 824 CA ILE A 50 -5.281 6.060 -4.419 1.00 0.00 C ATOM 825 C ILE A 50 -3.797 6.295 -4.165 1.00 0.00 C ATOM 826 O ILE A 50 -2.948 5.977 -4.999 1.00 0.00 O ATOM 827 CB ILE A 50 -5.735 4.803 -3.659 1.00 0.00 C ATOM 828 CG1 ILE A 50 -5.465 4.985 -2.189 1.00 0.00 C ATOM 829 CG2 ILE A 50 -5.019 3.565 -4.150 1.00 0.00 C ATOM 830 CD1 ILE A 50 -6.135 3.959 -1.308 1.00 0.00 C ATOM 0 H ILE A 50 -4.924 5.425 -6.367 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.835 6.921 -4.046 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.802 4.668 -3.836 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.389 4.946 -2.021 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.798 5.979 -1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.366 2.697 -3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.229 3.420 -5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.945 3.684 -4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.891 4.160 -0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.215 4.012 -1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.784 2.963 -1.577 1.00 0.00 H new ATOM 842 N LYS A 51 -3.501 6.847 -2.993 1.00 0.00 N ATOM 843 CA LYS A 51 -2.136 7.124 -2.588 1.00 0.00 C ATOM 844 C LYS A 51 -1.686 6.071 -1.583 1.00 0.00 C ATOM 845 O LYS A 51 -2.511 5.341 -1.036 1.00 0.00 O ATOM 846 CB LYS A 51 -2.056 8.523 -1.969 1.00 0.00 C ATOM 847 CG LYS A 51 -2.605 9.615 -2.879 1.00 0.00 C ATOM 848 CD LYS A 51 -2.620 10.971 -2.188 1.00 0.00 C ATOM 849 CE LYS A 51 -1.203 11.451 -1.870 1.00 0.00 C ATOM 850 NZ LYS A 51 -0.395 11.639 -3.107 1.00 0.00 N ATOM 0 H LYS A 51 -4.202 7.113 -2.302 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.479 7.090 -3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.609 8.530 -1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.017 8.748 -1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.999 9.674 -3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.617 9.354 -3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.118 11.701 -2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.199 10.905 -1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.252 12.391 -1.321 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.711 10.727 -1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.463 12.181 -2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.127 10.710 -3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.956 12.157 -3.813 1.00 0.00 H new ATOM 864 N VAL A 52 -0.385 5.985 -1.343 1.00 0.00 N ATOM 865 CA VAL A 52 0.136 5.001 -0.401 1.00 0.00 C ATOM 866 C VAL A 52 0.999 5.655 0.673 1.00 0.00 C ATOM 867 O VAL A 52 2.225 5.629 0.574 1.00 0.00 O ATOM 868 CB VAL A 52 0.996 3.931 -1.100 1.00 0.00 C ATOM 869 CG1 VAL A 52 0.809 2.578 -0.433 1.00 0.00 C ATOM 870 CG2 VAL A 52 0.692 3.857 -2.591 1.00 0.00 C ATOM 0 H VAL A 52 0.322 6.576 -1.780 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.739 4.534 0.050 1.00 0.00 H new ATOM 0 HB VAL A 52 2.042 4.221 -0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.424 1.834 -0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.108 2.644 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.239 2.284 -0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.317 3.092 -3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.358 3.604 -2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.900 4.822 -3.053 1.00 0.00 H new ATOM 880 N TYR A 53 0.375 6.226 1.705 1.00 0.00 N ATOM 881 CA TYR A 53 1.145 6.853 2.780 1.00 0.00 C ATOM 882 C TYR A 53 1.791 5.789 3.666 1.00 0.00 C ATOM 883 O TYR A 53 1.460 5.659 4.844 1.00 0.00 O ATOM 884 CB TYR A 53 0.275 7.775 3.635 1.00 0.00 C ATOM 885 CG TYR A 53 -0.224 9.006 2.908 1.00 0.00 C ATOM 886 CD1 TYR A 53 0.519 10.184 2.899 1.00 0.00 C ATOM 887 CD2 TYR A 53 -1.437 8.992 2.235 1.00 0.00 C ATOM 888 CE1 TYR A 53 0.061 11.310 2.241 1.00 0.00 C ATOM 889 CE2 TYR A 53 -1.901 10.115 1.576 1.00 0.00 C ATOM 890 CZ TYR A 53 -1.148 11.271 1.583 1.00 0.00 C ATOM 891 OH TYR A 53 -1.608 12.392 0.931 1.00 0.00 O ATOM 0 H TYR A 53 -0.638 6.268 1.819 1.00 0.00 H new ATOM 0 HA TYR A 53 1.923 7.457 2.312 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.582 7.210 4.001 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.847 8.089 4.508 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.468 10.218 3.414 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.029 8.089 2.226 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.649 12.216 2.243 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.848 10.088 1.058 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.475 12.197 0.517 1.00 0.00 H new ATOM 901 N ILE A 54 2.714 5.035 3.084 1.00 0.00 N ATOM 902 CA ILE A 54 3.416 3.975 3.798 1.00 0.00 C ATOM 903 C ILE A 54 4.154 4.537 5.016 1.00 0.00 C ATOM 904 O ILE A 54 4.344 5.748 5.127 1.00 0.00 O ATOM 905 CB ILE A 54 4.412 3.255 2.864 1.00 0.00 C ATOM 906 CG1 ILE A 54 4.990 2.011 3.551 1.00 0.00 C ATOM 907 CG2 ILE A 54 5.516 4.208 2.421 1.00 0.00 C ATOM 908 CD1 ILE A 54 6.109 1.331 2.760 1.00 0.00 C ATOM 0 H ILE A 54 2.997 5.139 2.109 1.00 0.00 H new ATOM 0 HA ILE A 54 2.674 3.254 4.142 1.00 0.00 H new ATOM 0 HB ILE A 54 3.879 2.926 1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.372 2.294 4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.187 1.293 3.716 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.208 3.682 1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.077 5.050 1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.054 4.574 3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.466 0.460 3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.728 1.016 1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.931 2.032 2.617 1.00 0.00 H new ATOM 920 N THR A 55 4.560 3.659 5.934 1.00 0.00 N ATOM 921 CA THR A 55 5.261 4.088 7.140 1.00 0.00 C ATOM 922 C THR A 55 6.577 3.333 7.330 1.00 0.00 C ATOM 923 O THR A 55 6.629 2.332 8.044 1.00 0.00 O ATOM 924 CB THR A 55 4.372 3.890 8.369 1.00 0.00 C ATOM 925 OG1 THR A 55 3.167 4.623 8.237 1.00 0.00 O ATOM 926 CG2 THR A 55 5.030 4.323 9.663 1.00 0.00 C ATOM 0 H THR A 55 4.415 2.652 5.864 1.00 0.00 H new ATOM 0 HA THR A 55 5.493 5.147 7.023 1.00 0.00 H new ATOM 0 HB THR A 55 4.182 2.818 8.418 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.448 4.022 7.949 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.345 4.155 10.494 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.940 3.743 9.820 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.280 5.382 9.607 1.00 0.00 H new ATOM 934 N GLN A 56 7.643 3.828 6.708 1.00 0.00 N ATOM 935 CA GLN A 56 8.955 3.209 6.837 1.00 0.00 C ATOM 936 C GLN A 56 9.988 4.249 7.243 1.00 0.00 C ATOM 937 O GLN A 56 9.756 5.451 7.106 1.00 0.00 O ATOM 938 CB GLN A 56 9.374 2.527 5.530 1.00 0.00 C ATOM 939 CG GLN A 56 9.184 3.390 4.294 1.00 0.00 C ATOM 940 CD GLN A 56 9.921 4.710 4.365 1.00 0.00 C ATOM 941 OE1 GLN A 56 11.150 4.749 4.424 1.00 0.00 O ATOM 942 NE2 GLN A 56 9.167 5.803 4.367 1.00 0.00 N ATOM 0 H GLN A 56 7.623 4.655 6.111 1.00 0.00 H new ATOM 0 HA GLN A 56 8.896 2.446 7.613 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.423 2.240 5.602 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.799 1.608 5.411 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.525 2.838 3.418 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.120 3.583 4.154 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.151 5.722 4.317 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.603 6.723 4.419 1.00 0.00 H new ATOM 951 N ASP A 57 11.123 3.783 7.751 1.00 0.00 N ATOM 952 CA ASP A 57 12.191 4.676 8.185 1.00 0.00 C ATOM 953 C ASP A 57 11.741 5.540 9.365 1.00 0.00 C ATOM 954 O ASP A 57 12.530 6.300 9.926 1.00 0.00 O ATOM 955 CB ASP A 57 12.650 5.564 7.025 1.00 0.00 C ATOM 956 CG ASP A 57 13.791 6.484 7.412 1.00 0.00 C ATOM 957 OD1 ASP A 57 14.857 5.971 7.812 1.00 0.00 O ATOM 958 OD2 ASP A 57 13.619 7.717 7.316 1.00 0.00 O ATOM 0 H ASP A 57 11.328 2.791 7.873 1.00 0.00 H new ATOM 0 HA ASP A 57 13.030 4.062 8.513 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.962 4.934 6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.809 6.162 6.675 1.00 0.00 H new ATOM 963 N GLY A 58 10.468 5.415 9.740 1.00 0.00 N ATOM 964 CA GLY A 58 9.939 6.185 10.850 1.00 0.00 C ATOM 965 C GLY A 58 9.038 7.323 10.404 1.00 0.00 C ATOM 966 O GLY A 58 8.389 7.966 11.229 1.00 0.00 O ATOM 0 H GLY A 58 9.795 4.793 9.293 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.379 5.523 11.511 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.767 6.590 11.432 1.00 0.00 H new ATOM 970 N ILE A 59 8.998 7.576 9.098 1.00 0.00 N ATOM 971 CA ILE A 59 8.168 8.648 8.553 1.00 0.00 C ATOM 972 C ILE A 59 7.125 8.108 7.581 1.00 0.00 C ATOM 973 O ILE A 59 7.334 7.079 6.935 1.00 0.00 O ATOM 974 CB ILE A 59 9.024 9.710 7.823 1.00 0.00 C ATOM 975 CG1 ILE A 59 9.887 10.477 8.827 1.00 0.00 C ATOM 976 CG2 ILE A 59 8.144 10.669 7.021 1.00 0.00 C ATOM 977 CD1 ILE A 59 10.777 11.524 8.193 1.00 0.00 C ATOM 0 H ILE A 59 9.529 7.056 8.399 1.00 0.00 H new ATOM 0 HA ILE A 59 7.664 9.111 9.402 1.00 0.00 H new ATOM 0 HB ILE A 59 9.681 9.196 7.121 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.237 10.960 9.557 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.509 9.768 9.374 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.772 11.405 6.518 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.577 10.108 6.278 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.455 11.179 7.694 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.358 12.025 8.967 1.00 0.00 H new ATOM 0 HD12 ILE A 59 11.453 11.046 7.484 1.00 0.00 H new ATOM 0 HD13 ILE A 59 10.162 12.256 7.670 1.00 0.00 H new ATOM 989 N THR A 60 6.012 8.827 7.464 1.00 0.00 N ATOM 990 CA THR A 60 4.949 8.443 6.552 1.00 0.00 C ATOM 991 C THR A 60 5.095 9.222 5.247 1.00 0.00 C ATOM 992 O THR A 60 5.575 10.356 5.253 1.00 0.00 O ATOM 993 CB THR A 60 3.583 8.722 7.176 1.00 0.00 C ATOM 994 OG1 THR A 60 2.542 8.266 6.330 1.00 0.00 O ATOM 995 CG2 THR A 60 3.347 10.191 7.441 1.00 0.00 C ATOM 0 H THR A 60 5.827 9.680 7.992 1.00 0.00 H new ATOM 0 HA THR A 60 5.023 7.375 6.349 1.00 0.00 H new ATOM 0 HB THR A 60 3.579 8.187 8.126 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.675 8.452 6.748 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.361 10.327 7.884 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.108 10.564 8.127 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.402 10.743 6.503 1.00 0.00 H new ATOM 1003 N GLN A 61 4.689 8.621 4.134 1.00 0.00 N ATOM 1004 CA GLN A 61 4.792 9.277 2.838 1.00 0.00 C ATOM 1005 C GLN A 61 4.197 8.384 1.755 1.00 0.00 C ATOM 1006 O GLN A 61 4.090 7.172 1.939 1.00 0.00 O ATOM 1007 CB GLN A 61 6.259 9.595 2.527 1.00 0.00 C ATOM 1008 CG GLN A 61 7.129 8.363 2.349 1.00 0.00 C ATOM 1009 CD GLN A 61 8.561 8.709 1.988 1.00 0.00 C ATOM 1010 OE1 GLN A 61 8.822 9.315 0.949 1.00 0.00 O ATOM 1011 NE2 GLN A 61 9.498 8.329 2.849 1.00 0.00 N ATOM 0 H GLN A 61 4.287 7.684 4.104 1.00 0.00 H new ATOM 0 HA GLN A 61 4.232 10.212 2.864 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.306 10.196 1.619 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.668 10.204 3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.121 7.780 3.270 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.704 7.732 1.569 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.237 7.828 3.699 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.479 8.538 2.661 1.00 0.00 H new ATOM 1020 N PRO A 62 3.796 8.959 0.610 1.00 0.00 N ATOM 1021 CA PRO A 62 3.207 8.189 -0.488 1.00 0.00 C ATOM 1022 C PRO A 62 4.264 7.568 -1.382 1.00 0.00 C ATOM 1023 O PRO A 62 5.161 8.271 -1.845 1.00 0.00 O ATOM 1024 CB PRO A 62 2.481 9.274 -1.270 1.00 0.00 C ATOM 1025 CG PRO A 62 3.439 10.400 -1.184 1.00 0.00 C ATOM 1026 CD PRO A 62 3.871 10.401 0.267 1.00 0.00 C ATOM 0 HA PRO A 62 2.588 7.364 -0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.290 8.977 -2.301 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.517 9.522 -0.826 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.287 10.255 -1.853 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.971 11.344 -1.462 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.878 10.799 0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.210 11.004 0.890 1.00 0.00 H new ATOM 1034 N PHE A 63 4.153 6.272 -1.658 1.00 0.00 N ATOM 1035 CA PHE A 63 5.117 5.637 -2.552 1.00 0.00 C ATOM 1036 C PHE A 63 5.320 6.549 -3.762 1.00 0.00 C ATOM 1037 O PHE A 63 4.420 6.666 -4.594 1.00 0.00 O ATOM 1038 CB PHE A 63 4.645 4.254 -3.024 1.00 0.00 C ATOM 1039 CG PHE A 63 5.134 3.122 -2.164 1.00 0.00 C ATOM 1040 CD1 PHE A 63 6.388 2.569 -2.387 1.00 0.00 C ATOM 1041 CD2 PHE A 63 4.353 2.608 -1.137 1.00 0.00 C ATOM 1042 CE1 PHE A 63 6.850 1.530 -1.607 1.00 0.00 C ATOM 1043 CE2 PHE A 63 4.814 1.565 -0.357 1.00 0.00 C ATOM 1044 CZ PHE A 63 6.065 1.026 -0.593 1.00 0.00 C ATOM 0 H PHE A 63 3.429 5.656 -1.289 1.00 0.00 H new ATOM 0 HA PHE A 63 6.050 5.491 -2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.555 4.239 -3.044 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.984 4.094 -4.047 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.009 2.957 -3.181 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.376 3.028 -0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.828 1.111 -1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.197 1.171 0.437 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.426 0.211 0.017 1.00 0.00 H new ATOM 1054 N PRO A 64 6.473 7.256 -3.877 1.00 0.00 N ATOM 1055 CA PRO A 64 6.709 8.180 -4.982 1.00 0.00 C ATOM 1056 C PRO A 64 7.601 7.629 -6.116 1.00 0.00 C ATOM 1057 O PRO A 64 8.396 8.383 -6.677 1.00 0.00 O ATOM 1058 CB PRO A 64 7.457 9.287 -4.257 1.00 0.00 C ATOM 1059 CG PRO A 64 8.347 8.550 -3.310 1.00 0.00 C ATOM 1060 CD PRO A 64 7.619 7.275 -2.941 1.00 0.00 C ATOM 0 HA PRO A 64 5.783 8.447 -5.492 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.031 9.903 -4.949 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.774 9.953 -3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.308 8.328 -3.774 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.552 9.150 -2.424 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.255 6.398 -3.065 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.290 7.286 -1.902 1.00 0.00 H new ATOM 1068 N PRO A 65 7.512 6.327 -6.482 1.00 0.00 N ATOM 1069 CA PRO A 65 8.349 5.763 -7.546 1.00 0.00 C ATOM 1070 C PRO A 65 7.784 6.036 -8.937 1.00 0.00 C ATOM 1071 O PRO A 65 6.599 6.420 -9.029 1.00 0.00 O ATOM 1072 CB PRO A 65 8.304 4.273 -7.227 1.00 0.00 C ATOM 1073 CG PRO A 65 6.917 4.072 -6.754 1.00 0.00 C ATOM 1074 CD PRO A 65 6.622 5.295 -5.909 1.00 0.00 C ATOM 1075 OXT PRO A 65 8.531 5.862 -9.922 1.00 0.00 O ATOM 0 HA PRO A 65 9.351 6.191 -7.570 1.00 0.00 H new ATOM 0 HB2 PRO A 65 8.522 3.666 -8.106 1.00 0.00 H new ATOM 0 HB3 PRO A 65 9.033 4.002 -6.464 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.221 3.989 -7.589 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.826 3.156 -6.171 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.574 5.586 -5.975 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.838 5.118 -4.855 1.00 0.00 H new