USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 733 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 47 MET CE :methyl -159:sc= -0.0904 (180deg=-0.532) USER MOD Set 1.2: A 50 CYS SG : rot 24:sc= 0.177 USER MOD Set 2.1: A 43 LYS NZ :NH3+ -151:sc= 1.95 (180deg=1.08) USER MOD Set 2.2: A 51 TYR OH : rot 180:sc= 0.53 USER MOD Set 3.1: A 25 GLN : amide:sc= 1.14 K(o=1.3,f=-2.1!) USER MOD Set 3.2: A 57 SER OG : rot 70:sc= 0.13 USER MOD Single : A 3 TYR OH : rot -164:sc= 1.22 USER MOD Single : A 13 LYS NZ :NH3+ 171:sc= 0.338 (180deg=0.153) USER MOD Single : A 17 LYS NZ :NH3+ -116:sc= 0.888 (180deg=-0.261) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0311 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= 0.00188 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0.46 (180deg=0.0737) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 36:sc= -1.17 USER MOD Single : A 65 GLN : amide:sc= -1.04 K(o=-1,f=-0.022) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 160:sc= -0.0201 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 9.618 13.141 -4.235 1.00 0.00 N ATOM 19 CA ALA A 2 8.435 12.366 -4.487 1.00 0.00 C ATOM 20 C ALA A 2 8.814 11.024 -5.065 1.00 0.00 C ATOM 21 O ALA A 2 9.795 10.908 -5.815 1.00 0.00 O ATOM 22 CB ALA A 2 7.488 13.106 -5.424 1.00 0.00 C ATOM 0 HA ALA A 2 7.914 12.210 -3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.600 12.498 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.195 14.054 -4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.990 13.296 -6.373 1.00 0.00 H new ATOM 28 N TYR A 3 8.086 10.021 -4.683 1.00 0.00 N ATOM 29 CA TYR A 3 8.287 8.682 -5.180 1.00 0.00 C ATOM 30 C TYR A 3 7.163 8.335 -6.132 1.00 0.00 C ATOM 31 O TYR A 3 6.172 9.071 -6.228 1.00 0.00 O ATOM 32 CB TYR A 3 8.332 7.660 -4.027 1.00 0.00 C ATOM 33 CG TYR A 3 9.540 7.761 -3.102 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.836 8.933 -2.408 1.00 0.00 C ATOM 35 CD2 TYR A 3 10.363 6.664 -2.901 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.911 9.005 -1.553 1.00 0.00 C ATOM 37 CE2 TYR A 3 11.444 6.731 -2.048 1.00 0.00 C ATOM 38 CZ TYR A 3 11.714 7.902 -1.376 1.00 0.00 C ATOM 39 OH TYR A 3 12.780 7.963 -0.506 1.00 0.00 O ATOM 0 H TYR A 3 7.324 10.103 -4.009 1.00 0.00 H new ATOM 0 HA TYR A 3 9.244 8.642 -5.700 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.428 7.775 -3.428 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.307 6.657 -4.453 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.209 9.802 -2.544 1.00 0.00 H new ATOM 0 HD2 TYR A 3 10.154 5.741 -3.421 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.123 9.922 -1.024 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.077 5.867 -1.907 1.00 0.00 H new ATOM 0 HH TYR A 3 13.386 7.213 -0.679 1.00 0.00 H new ATOM 49 N PHE A 4 7.317 7.254 -6.834 1.00 0.00 N ATOM 50 CA PHE A 4 6.322 6.791 -7.770 1.00 0.00 C ATOM 51 C PHE A 4 5.420 5.792 -7.081 1.00 0.00 C ATOM 52 O PHE A 4 5.785 5.268 -6.055 1.00 0.00 O ATOM 53 CB PHE A 4 7.018 6.186 -8.989 1.00 0.00 C ATOM 54 CG PHE A 4 7.870 7.197 -9.700 1.00 0.00 C ATOM 55 CD1 PHE A 4 7.291 8.194 -10.463 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.246 7.167 -9.584 1.00 0.00 C ATOM 57 CE1 PHE A 4 8.065 9.139 -11.095 1.00 0.00 C ATOM 58 CE2 PHE A 4 10.026 8.107 -10.213 1.00 0.00 C ATOM 59 CZ PHE A 4 9.437 9.097 -10.970 1.00 0.00 C ATOM 0 H PHE A 4 8.143 6.658 -6.777 1.00 0.00 H new ATOM 0 HA PHE A 4 5.704 7.620 -8.116 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.636 5.345 -8.675 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.270 5.792 -9.677 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.216 8.231 -10.564 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.715 6.395 -8.992 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.599 9.912 -11.688 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.101 8.070 -10.114 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.049 9.838 -11.464 1.00 0.00 H new ATOM 69 N LEU A 5 4.248 5.559 -7.610 1.00 0.00 N ATOM 70 CA LEU A 5 3.320 4.625 -6.992 1.00 0.00 C ATOM 71 C LEU A 5 2.908 3.588 -8.039 1.00 0.00 C ATOM 72 O LEU A 5 2.584 3.951 -9.181 1.00 0.00 O ATOM 73 CB LEU A 5 2.082 5.416 -6.462 1.00 0.00 C ATOM 74 CG LEU A 5 1.157 4.758 -5.384 1.00 0.00 C ATOM 75 CD1 LEU A 5 0.469 3.500 -5.865 1.00 0.00 C ATOM 76 CD2 LEU A 5 1.916 4.480 -4.105 1.00 0.00 C ATOM 0 H LEU A 5 3.906 5.998 -8.465 1.00 0.00 H new ATOM 0 HA LEU A 5 3.783 4.110 -6.150 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.446 6.357 -6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.459 5.664 -7.321 1.00 0.00 H new ATOM 0 HG LEU A 5 0.374 5.489 -5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.155 3.099 -5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.153 3.733 -6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.218 2.760 -6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.246 4.023 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.743 3.801 -4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.306 5.415 -3.703 1.00 0.00 H new ATOM 88 N ASP A 6 2.949 2.324 -7.683 1.00 0.00 N ATOM 89 CA ASP A 6 2.501 1.256 -8.577 1.00 0.00 C ATOM 90 C ASP A 6 1.784 0.196 -7.757 1.00 0.00 C ATOM 91 O ASP A 6 2.002 0.099 -6.548 1.00 0.00 O ATOM 92 CB ASP A 6 3.678 0.641 -9.358 1.00 0.00 C ATOM 93 CG ASP A 6 3.222 -0.269 -10.491 1.00 0.00 C ATOM 94 OD1 ASP A 6 2.283 0.104 -11.217 1.00 0.00 O ATOM 95 OD2 ASP A 6 3.842 -1.317 -10.742 1.00 0.00 O ATOM 0 H ASP A 6 3.288 1.999 -6.778 1.00 0.00 H new ATOM 0 HA ASP A 6 1.816 1.676 -9.314 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.295 1.441 -9.767 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.306 0.073 -8.672 1.00 0.00 H new ATOM 100 N PHE A 7 0.933 -0.572 -8.383 1.00 0.00 N ATOM 101 CA PHE A 7 0.139 -1.566 -7.677 1.00 0.00 C ATOM 102 C PHE A 7 0.479 -2.964 -8.144 1.00 0.00 C ATOM 103 O PHE A 7 0.832 -3.173 -9.305 1.00 0.00 O ATOM 104 CB PHE A 7 -1.365 -1.342 -7.908 1.00 0.00 C ATOM 105 CG PHE A 7 -1.928 -0.036 -7.414 1.00 0.00 C ATOM 106 CD1 PHE A 7 -1.936 1.086 -8.227 1.00 0.00 C ATOM 107 CD2 PHE A 7 -2.473 0.060 -6.146 1.00 0.00 C ATOM 108 CE1 PHE A 7 -2.475 2.277 -7.785 1.00 0.00 C ATOM 109 CE2 PHE A 7 -3.010 1.250 -5.696 1.00 0.00 C ATOM 110 CZ PHE A 7 -3.012 2.359 -6.516 1.00 0.00 C ATOM 0 H PHE A 7 0.765 -0.535 -9.388 1.00 0.00 H new ATOM 0 HA PHE A 7 0.372 -1.459 -6.618 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.562 -1.417 -8.977 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.910 -2.154 -7.426 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.515 1.028 -9.220 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.479 -0.806 -5.501 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.477 3.143 -8.430 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.428 1.312 -4.702 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.433 3.290 -6.166 1.00 0.00 H new ATOM 120 N ASP A 8 0.385 -3.904 -7.238 1.00 0.00 N ATOM 121 CA ASP A 8 0.534 -5.319 -7.555 1.00 0.00 C ATOM 122 C ASP A 8 -0.717 -5.757 -8.296 1.00 0.00 C ATOM 123 O ASP A 8 -1.781 -5.141 -8.126 1.00 0.00 O ATOM 124 CB ASP A 8 0.670 -6.141 -6.263 1.00 0.00 C ATOM 125 CG ASP A 8 1.079 -7.578 -6.503 1.00 0.00 C ATOM 126 OD1 ASP A 8 0.215 -8.431 -6.819 1.00 0.00 O ATOM 127 OD2 ASP A 8 2.272 -7.885 -6.355 1.00 0.00 O ATOM 0 H ASP A 8 0.202 -3.718 -6.252 1.00 0.00 H new ATOM 0 HA ASP A 8 1.426 -5.476 -8.162 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.406 -5.665 -5.615 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.281 -6.126 -5.730 1.00 0.00 H new ATOM 132 N GLU A 9 -0.617 -6.788 -9.101 1.00 0.00 N ATOM 133 CA GLU A 9 -1.750 -7.259 -9.871 1.00 0.00 C ATOM 134 C GLU A 9 -2.894 -7.726 -8.939 1.00 0.00 C ATOM 135 O GLU A 9 -4.075 -7.573 -9.267 1.00 0.00 O ATOM 136 CB GLU A 9 -1.306 -8.344 -10.878 1.00 0.00 C ATOM 137 CG GLU A 9 -0.929 -9.684 -10.288 1.00 0.00 C ATOM 138 CD GLU A 9 -2.031 -10.682 -10.450 1.00 0.00 C ATOM 139 OE1 GLU A 9 -2.974 -10.688 -9.641 1.00 0.00 O ATOM 140 OE2 GLU A 9 -2.002 -11.457 -11.399 1.00 0.00 O ATOM 0 H GLU A 9 0.241 -7.321 -9.242 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.152 -6.433 -10.458 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.113 -8.499 -11.594 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.452 -7.963 -11.438 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.026 -10.055 -10.773 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.697 -9.565 -9.230 1.00 0.00 H new ATOM 147 N ARG A 10 -2.533 -8.264 -7.770 1.00 0.00 N ATOM 148 CA ARG A 10 -3.506 -8.657 -6.754 1.00 0.00 C ATOM 149 C ARG A 10 -4.183 -7.436 -6.207 1.00 0.00 C ATOM 150 O ARG A 10 -5.415 -7.368 -6.108 1.00 0.00 O ATOM 151 CB ARG A 10 -2.798 -9.364 -5.619 1.00 0.00 C ATOM 152 CG ARG A 10 -2.405 -10.787 -5.896 1.00 0.00 C ATOM 153 CD ARG A 10 -3.519 -11.750 -5.531 1.00 0.00 C ATOM 154 NE ARG A 10 -4.727 -11.642 -6.356 1.00 0.00 N ATOM 155 CZ ARG A 10 -5.979 -11.544 -5.866 1.00 0.00 C ATOM 156 NH1 ARG A 10 -6.189 -11.295 -4.571 1.00 0.00 N ATOM 157 NH2 ARG A 10 -7.009 -11.693 -6.673 1.00 0.00 N ATOM 0 H ARG A 10 -1.563 -8.437 -7.505 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.242 -9.321 -7.206 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.901 -8.800 -5.364 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.445 -9.347 -4.742 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.157 -10.899 -6.951 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.507 -11.035 -5.330 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.137 -12.768 -5.604 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.793 -11.587 -4.489 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.612 -11.641 -7.369 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.397 -11.176 -3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.142 -11.223 -4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.857 -11.882 -7.664 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.958 -11.620 -6.307 1.00 0.00 H new ATOM 171 N ALA A 11 -3.360 -6.456 -5.899 1.00 0.00 N ATOM 172 CA ALA A 11 -3.803 -5.199 -5.343 1.00 0.00 C ATOM 173 C ALA A 11 -4.773 -4.497 -6.276 1.00 0.00 C ATOM 174 O ALA A 11 -5.723 -3.916 -5.820 1.00 0.00 O ATOM 175 CB ALA A 11 -2.617 -4.302 -5.018 1.00 0.00 C ATOM 0 H ALA A 11 -2.350 -6.513 -6.031 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.331 -5.413 -4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.976 -3.361 -4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.973 -4.799 -4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.051 -4.103 -5.928 1.00 0.00 H new ATOM 181 N LEU A 12 -4.550 -4.611 -7.585 1.00 0.00 N ATOM 182 CA LEU A 12 -5.423 -3.995 -8.576 1.00 0.00 C ATOM 183 C LEU A 12 -6.811 -4.596 -8.536 1.00 0.00 C ATOM 184 O LEU A 12 -7.809 -3.887 -8.607 1.00 0.00 O ATOM 185 CB LEU A 12 -4.839 -4.130 -9.977 1.00 0.00 C ATOM 186 CG LEU A 12 -3.650 -3.230 -10.310 1.00 0.00 C ATOM 187 CD1 LEU A 12 -3.103 -3.576 -11.685 1.00 0.00 C ATOM 188 CD2 LEU A 12 -4.080 -1.767 -10.270 1.00 0.00 C ATOM 0 H LEU A 12 -3.766 -5.128 -7.983 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.499 -2.936 -8.328 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.533 -5.166 -10.121 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.632 -3.929 -10.698 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.866 -3.389 -9.570 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.256 -2.929 -11.913 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.778 -4.616 -11.696 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.882 -3.431 -12.434 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.228 -1.131 -10.508 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.872 -1.601 -11.000 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.448 -1.523 -9.273 1.00 0.00 H new ATOM 200 N LYS A 13 -6.862 -5.889 -8.379 1.00 0.00 N ATOM 201 CA LYS A 13 -8.111 -6.616 -8.331 1.00 0.00 C ATOM 202 C LYS A 13 -8.893 -6.233 -7.085 1.00 0.00 C ATOM 203 O LYS A 13 -10.103 -6.008 -7.137 1.00 0.00 O ATOM 204 CB LYS A 13 -7.815 -8.105 -8.360 1.00 0.00 C ATOM 205 CG LYS A 13 -7.134 -8.536 -9.644 1.00 0.00 C ATOM 206 CD LYS A 13 -6.573 -9.926 -9.535 1.00 0.00 C ATOM 207 CE LYS A 13 -5.954 -10.381 -10.851 1.00 0.00 C ATOM 208 NZ LYS A 13 -4.844 -9.519 -11.264 1.00 0.00 N ATOM 0 H LYS A 13 -6.035 -6.478 -8.279 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.724 -6.362 -9.196 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.181 -8.363 -7.512 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.746 -8.660 -8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.848 -8.495 -10.466 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.332 -7.837 -9.883 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.820 -9.955 -8.748 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.364 -10.618 -9.245 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.598 -11.406 -10.749 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.718 -10.385 -11.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.356 -9.947 -12.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.212 -8.585 -11.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.175 -9.413 -10.475 1.00 0.00 H new ATOM 222 N GLU A 14 -8.200 -6.146 -5.974 1.00 0.00 N ATOM 223 CA GLU A 14 -8.804 -5.739 -4.723 1.00 0.00 C ATOM 224 C GLU A 14 -9.194 -4.245 -4.749 1.00 0.00 C ATOM 225 O GLU A 14 -10.226 -3.860 -4.233 1.00 0.00 O ATOM 226 CB GLU A 14 -7.870 -6.071 -3.572 1.00 0.00 C ATOM 227 CG GLU A 14 -7.618 -7.571 -3.432 1.00 0.00 C ATOM 228 CD GLU A 14 -8.848 -8.337 -2.973 1.00 0.00 C ATOM 229 OE1 GLU A 14 -9.719 -8.657 -3.799 1.00 0.00 O ATOM 230 OE2 GLU A 14 -8.982 -8.605 -1.759 1.00 0.00 O ATOM 0 H GLU A 14 -7.204 -6.354 -5.910 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.730 -6.295 -4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.919 -5.559 -3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.294 -5.690 -2.643 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.285 -7.969 -4.390 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.808 -7.733 -2.720 1.00 0.00 H new ATOM 237 N TRP A 15 -8.367 -3.438 -5.381 1.00 0.00 N ATOM 238 CA TRP A 15 -8.592 -1.990 -5.570 1.00 0.00 C ATOM 239 C TRP A 15 -9.870 -1.738 -6.378 1.00 0.00 C ATOM 240 O TRP A 15 -10.673 -0.842 -6.069 1.00 0.00 O ATOM 241 CB TRP A 15 -7.362 -1.422 -6.309 1.00 0.00 C ATOM 242 CG TRP A 15 -7.436 0.001 -6.749 1.00 0.00 C ATOM 243 CD1 TRP A 15 -7.820 0.456 -7.977 1.00 0.00 C ATOM 244 CD2 TRP A 15 -7.070 1.147 -5.989 1.00 0.00 C ATOM 245 NE1 TRP A 15 -7.743 1.820 -8.019 1.00 0.00 N ATOM 246 CE2 TRP A 15 -7.276 2.273 -6.810 1.00 0.00 C ATOM 247 CE3 TRP A 15 -6.593 1.333 -4.690 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -7.020 3.565 -6.370 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -6.337 2.612 -4.258 1.00 0.00 C ATOM 250 CH2 TRP A 15 -6.548 3.709 -5.092 1.00 0.00 C ATOM 0 H TRP A 15 -7.493 -3.763 -5.794 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.719 -1.498 -4.605 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -6.495 -1.531 -5.658 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.180 -2.040 -7.188 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.139 -0.171 -8.797 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.991 2.405 -8.817 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -6.428 0.488 -4.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -7.186 4.420 -7.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.966 2.770 -3.256 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.333 4.700 -4.720 1.00 0.00 H new ATOM 261 N ARG A 16 -10.051 -2.525 -7.408 1.00 0.00 N ATOM 262 CA ARG A 16 -11.220 -2.428 -8.257 1.00 0.00 C ATOM 263 C ARG A 16 -12.449 -3.009 -7.561 1.00 0.00 C ATOM 264 O ARG A 16 -13.597 -2.649 -7.876 1.00 0.00 O ATOM 265 CB ARG A 16 -10.948 -3.090 -9.598 1.00 0.00 C ATOM 266 CG ARG A 16 -9.889 -2.357 -10.403 1.00 0.00 C ATOM 267 CD ARG A 16 -9.540 -3.081 -11.681 1.00 0.00 C ATOM 268 NE ARG A 16 -8.499 -2.364 -12.435 1.00 0.00 N ATOM 269 CZ ARG A 16 -7.651 -2.927 -13.304 1.00 0.00 C ATOM 270 NH1 ARG A 16 -7.719 -4.232 -13.551 1.00 0.00 N ATOM 271 NH2 ARG A 16 -6.731 -2.178 -13.918 1.00 0.00 N ATOM 0 H ARG A 16 -9.393 -3.254 -7.685 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.436 -1.377 -8.447 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.628 -4.119 -9.434 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.873 -3.132 -10.173 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.245 -1.355 -10.641 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.991 -2.240 -9.797 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.195 -4.088 -11.448 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.433 -3.185 -12.298 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.417 -1.359 -12.283 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.418 -4.805 -13.078 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.072 -4.660 -14.213 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.675 -1.178 -13.724 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.084 -2.606 -14.580 1.00 0.00 H new ATOM 285 N LYS A 17 -12.201 -3.879 -6.610 1.00 0.00 N ATOM 286 CA LYS A 17 -13.236 -4.461 -5.779 1.00 0.00 C ATOM 287 C LYS A 17 -13.709 -3.416 -4.759 1.00 0.00 C ATOM 288 O LYS A 17 -14.909 -3.296 -4.478 1.00 0.00 O ATOM 289 CB LYS A 17 -12.671 -5.670 -5.031 1.00 0.00 C ATOM 290 CG LYS A 17 -13.674 -6.401 -4.163 1.00 0.00 C ATOM 291 CD LYS A 17 -13.003 -7.445 -3.281 1.00 0.00 C ATOM 292 CE LYS A 17 -12.116 -6.812 -2.214 1.00 0.00 C ATOM 293 NZ LYS A 17 -11.537 -7.823 -1.305 1.00 0.00 N ATOM 0 H LYS A 17 -11.262 -4.209 -6.386 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.072 -4.776 -6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.261 -6.371 -5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.842 -5.338 -4.405 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.205 -5.683 -3.537 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.419 -6.884 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.766 -8.057 -2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.404 -8.111 -3.901 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.312 -6.254 -2.695 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.700 -6.096 -1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.897 -7.670 -0.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.805 -8.774 -1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.501 -7.737 -1.305 1.00 0.00 H new ATOM 307 N LEU A 18 -12.746 -2.672 -4.228 1.00 0.00 N ATOM 308 CA LEU A 18 -12.961 -1.630 -3.228 1.00 0.00 C ATOM 309 C LEU A 18 -13.891 -0.549 -3.706 1.00 0.00 C ATOM 310 O LEU A 18 -13.923 -0.213 -4.899 1.00 0.00 O ATOM 311 CB LEU A 18 -11.637 -0.992 -2.821 1.00 0.00 C ATOM 312 CG LEU A 18 -11.116 -1.328 -1.431 1.00 0.00 C ATOM 313 CD1 LEU A 18 -10.902 -2.818 -1.251 1.00 0.00 C ATOM 314 CD2 LEU A 18 -9.846 -0.563 -1.160 1.00 0.00 C ATOM 0 H LEU A 18 -11.766 -2.779 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.423 -2.123 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.880 -1.285 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.745 0.090 -2.892 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.873 -1.028 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.530 -3.013 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.847 -3.341 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.175 -3.172 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.479 -0.808 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.093 -0.833 -1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.046 0.507 -1.220 1.00 0.00 H new ATOM 326 N GLY A 19 -14.636 -0.009 -2.777 1.00 0.00 N ATOM 327 CA GLY A 19 -15.556 1.048 -3.066 1.00 0.00 C ATOM 328 C GLY A 19 -14.826 2.310 -3.380 1.00 0.00 C ATOM 329 O GLY A 19 -13.751 2.560 -2.812 1.00 0.00 O ATOM 0 H GLY A 19 -14.618 -0.294 -1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.187 0.767 -3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.216 1.206 -2.213 1.00 0.00 H new ATOM 333 N SER A 20 -15.392 3.093 -4.264 1.00 0.00 N ATOM 334 CA SER A 20 -14.802 4.312 -4.758 1.00 0.00 C ATOM 335 C SER A 20 -14.377 5.254 -3.621 1.00 0.00 C ATOM 336 O SER A 20 -13.254 5.729 -3.607 1.00 0.00 O ATOM 337 CB SER A 20 -15.802 4.978 -5.682 1.00 0.00 C ATOM 338 OG SER A 20 -16.324 4.014 -6.595 1.00 0.00 O ATOM 0 H SER A 20 -16.305 2.893 -4.673 1.00 0.00 H new ATOM 0 HA SER A 20 -13.889 4.074 -5.303 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.612 5.419 -5.101 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.323 5.790 -6.229 1.00 0.00 H new ATOM 0 HG SER A 20 -16.972 4.445 -7.191 1.00 0.00 H new ATOM 344 N THR A 21 -15.239 5.443 -2.643 1.00 0.00 N ATOM 345 CA THR A 21 -14.957 6.344 -1.537 1.00 0.00 C ATOM 346 C THR A 21 -13.820 5.785 -0.645 1.00 0.00 C ATOM 347 O THR A 21 -12.967 6.541 -0.147 1.00 0.00 O ATOM 348 CB THR A 21 -16.225 6.585 -0.692 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.320 6.928 -1.560 1.00 0.00 O ATOM 350 CG2 THR A 21 -16.009 7.721 0.294 1.00 0.00 C ATOM 0 H THR A 21 -16.148 4.983 -2.589 1.00 0.00 H new ATOM 0 HA THR A 21 -14.631 7.296 -1.956 1.00 0.00 H new ATOM 0 HB THR A 21 -16.448 5.672 -0.140 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.127 7.080 -1.025 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.916 7.873 0.879 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.184 7.471 0.962 1.00 0.00 H new ATOM 0 HG23 THR A 21 -15.771 8.635 -0.250 1.00 0.00 H new ATOM 358 N VAL A 22 -13.794 4.468 -0.470 1.00 0.00 N ATOM 359 CA VAL A 22 -12.766 3.822 0.328 1.00 0.00 C ATOM 360 C VAL A 22 -11.417 3.911 -0.376 1.00 0.00 C ATOM 361 O VAL A 22 -10.414 4.315 0.220 1.00 0.00 O ATOM 362 CB VAL A 22 -13.135 2.340 0.639 1.00 0.00 C ATOM 363 CG1 VAL A 22 -11.949 1.578 1.212 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.296 2.289 1.623 1.00 0.00 C ATOM 0 H VAL A 22 -14.478 3.827 -0.873 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.696 4.348 1.280 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.424 1.865 -0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.243 0.548 1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.130 1.585 0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.624 2.053 2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.548 1.250 1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.011 2.789 2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.162 2.791 1.191 1.00 0.00 H new ATOM 374 N ARG A 23 -11.410 3.592 -1.650 1.00 0.00 N ATOM 375 CA ARG A 23 -10.197 3.662 -2.423 1.00 0.00 C ATOM 376 C ARG A 23 -9.713 5.091 -2.603 1.00 0.00 C ATOM 377 O ARG A 23 -8.522 5.313 -2.678 1.00 0.00 O ATOM 378 CB ARG A 23 -10.253 2.908 -3.736 1.00 0.00 C ATOM 379 CG ARG A 23 -11.360 3.315 -4.655 1.00 0.00 C ATOM 380 CD ARG A 23 -11.128 2.723 -6.014 1.00 0.00 C ATOM 381 NE ARG A 23 -12.200 3.035 -6.951 1.00 0.00 N ATOM 382 CZ ARG A 23 -12.812 2.150 -7.741 1.00 0.00 C ATOM 383 NH1 ARG A 23 -12.528 0.840 -7.655 1.00 0.00 N ATOM 384 NH2 ARG A 23 -13.730 2.569 -8.602 1.00 0.00 N ATOM 0 H ARG A 23 -12.231 3.282 -2.170 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.451 3.137 -1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.304 3.042 -4.255 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.352 1.844 -3.522 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.318 2.978 -4.259 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.408 4.402 -4.724 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.183 3.094 -6.412 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.033 1.641 -5.924 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.507 4.006 -7.008 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.838 0.511 -6.980 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.003 0.174 -8.265 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.963 3.560 -8.657 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.203 1.900 -9.210 1.00 0.00 H new ATOM 398 N GLU A 24 -10.641 6.053 -2.707 1.00 0.00 N ATOM 399 CA GLU A 24 -10.266 7.467 -2.785 1.00 0.00 C ATOM 400 C GLU A 24 -9.426 7.857 -1.610 1.00 0.00 C ATOM 401 O GLU A 24 -8.378 8.454 -1.780 1.00 0.00 O ATOM 402 CB GLU A 24 -11.461 8.384 -2.768 1.00 0.00 C ATOM 403 CG GLU A 24 -12.157 8.601 -4.071 1.00 0.00 C ATOM 404 CD GLU A 24 -13.120 9.732 -3.932 1.00 0.00 C ATOM 405 OE1 GLU A 24 -14.227 9.526 -3.401 1.00 0.00 O ATOM 406 OE2 GLU A 24 -12.762 10.878 -4.271 1.00 0.00 O ATOM 0 H GLU A 24 -11.645 5.878 -2.739 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.726 7.573 -3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.185 7.986 -2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.141 9.354 -2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.430 8.821 -4.853 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.683 7.695 -4.371 1.00 0.00 H new ATOM 413 N GLN A 25 -9.886 7.496 -0.428 1.00 0.00 N ATOM 414 CA GLN A 25 -9.179 7.815 0.807 1.00 0.00 C ATOM 415 C GLN A 25 -7.775 7.244 0.779 1.00 0.00 C ATOM 416 O GLN A 25 -6.812 7.916 1.140 1.00 0.00 O ATOM 417 CB GLN A 25 -9.949 7.285 1.996 1.00 0.00 C ATOM 418 CG GLN A 25 -11.158 8.105 2.390 1.00 0.00 C ATOM 419 CD GLN A 25 -12.087 7.345 3.309 1.00 0.00 C ATOM 420 OE1 GLN A 25 -11.938 7.350 4.545 1.00 0.00 O ATOM 421 NE2 GLN A 25 -13.057 6.698 2.721 1.00 0.00 N ATOM 0 H GLN A 25 -10.753 6.977 -0.292 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.101 8.898 0.898 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.274 6.268 1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.274 7.226 2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.830 9.020 2.883 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.701 8.404 1.493 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.143 6.720 1.705 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.729 6.170 3.278 1.00 0.00 H new ATOM 430 N LEU A 26 -7.667 6.030 0.292 1.00 0.00 N ATOM 431 CA LEU A 26 -6.390 5.367 0.157 1.00 0.00 C ATOM 432 C LEU A 26 -5.517 6.060 -0.881 1.00 0.00 C ATOM 433 O LEU A 26 -4.349 6.305 -0.633 1.00 0.00 O ATOM 434 CB LEU A 26 -6.589 3.905 -0.198 1.00 0.00 C ATOM 435 CG LEU A 26 -7.301 3.057 0.865 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.518 1.657 0.362 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.501 3.029 2.167 1.00 0.00 C ATOM 0 H LEU A 26 -8.462 5.473 -0.022 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.875 5.425 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.160 3.849 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.613 3.462 -0.398 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.270 3.514 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.024 1.069 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.132 1.685 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.556 1.200 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.027 2.422 2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.516 2.601 1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.389 4.044 2.547 1.00 0.00 H new ATOM 449 N LYS A 27 -6.101 6.398 -2.029 1.00 0.00 N ATOM 450 CA LYS A 27 -5.381 7.089 -3.102 1.00 0.00 C ATOM 451 C LYS A 27 -4.843 8.431 -2.608 1.00 0.00 C ATOM 452 O LYS A 27 -3.690 8.791 -2.864 1.00 0.00 O ATOM 453 CB LYS A 27 -6.313 7.368 -4.274 1.00 0.00 C ATOM 454 CG LYS A 27 -5.594 7.981 -5.463 1.00 0.00 C ATOM 455 CD LYS A 27 -6.545 8.440 -6.552 1.00 0.00 C ATOM 456 CE LYS A 27 -7.384 9.623 -6.095 1.00 0.00 C ATOM 457 NZ LYS A 27 -8.238 10.140 -7.171 1.00 0.00 N ATOM 0 H LYS A 27 -7.079 6.203 -2.243 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.560 6.444 -3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.789 6.438 -4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.107 8.040 -3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.000 8.830 -5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.899 7.251 -5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.977 8.717 -7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.200 7.616 -6.836 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.006 9.322 -5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.728 10.417 -5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.793 10.945 -6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.644 10.451 -7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.883 9.390 -7.493 1.00 0.00 H new ATOM 471 N LYS A 28 -5.685 9.147 -1.890 1.00 0.00 N ATOM 472 CA LYS A 28 -5.339 10.437 -1.323 1.00 0.00 C ATOM 473 C LYS A 28 -4.211 10.283 -0.321 1.00 0.00 C ATOM 474 O LYS A 28 -3.332 11.137 -0.222 1.00 0.00 O ATOM 475 CB LYS A 28 -6.577 11.103 -0.705 1.00 0.00 C ATOM 476 CG LYS A 28 -7.641 11.415 -1.746 1.00 0.00 C ATOM 477 CD LYS A 28 -8.950 11.868 -1.129 1.00 0.00 C ATOM 478 CE LYS A 28 -10.010 12.024 -2.210 1.00 0.00 C ATOM 479 NZ LYS A 28 -11.335 12.373 -1.665 1.00 0.00 N ATOM 0 H LYS A 28 -6.638 8.848 -1.681 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.984 11.094 -2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.998 10.447 0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.280 12.024 -0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.272 12.192 -2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.819 10.528 -2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.281 11.143 -0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.808 12.815 -0.609 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.696 12.797 -2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.087 11.094 -2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.077 11.989 -2.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.436 11.969 -0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.428 13.408 -1.614 1.00 0.00 H new ATOM 493 N LYS A 29 -4.217 9.176 0.390 1.00 0.00 N ATOM 494 CA LYS A 29 -3.152 8.856 1.308 1.00 0.00 C ATOM 495 C LYS A 29 -1.877 8.500 0.585 1.00 0.00 C ATOM 496 O LYS A 29 -0.785 8.819 1.049 1.00 0.00 O ATOM 497 CB LYS A 29 -3.548 7.753 2.270 1.00 0.00 C ATOM 498 CG LYS A 29 -3.920 8.265 3.640 1.00 0.00 C ATOM 499 CD LYS A 29 -5.114 9.185 3.610 1.00 0.00 C ATOM 500 CE LYS A 29 -5.292 9.841 4.947 1.00 0.00 C ATOM 501 NZ LYS A 29 -4.156 10.738 5.260 1.00 0.00 N ATOM 0 H LYS A 29 -4.958 8.477 0.346 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.964 9.757 1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.391 7.202 1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.722 7.048 2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.134 7.420 4.294 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.069 8.794 4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.979 9.944 2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.010 8.622 3.350 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.221 10.411 4.954 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.380 9.078 5.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.375 11.291 6.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.301 10.170 5.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.993 11.383 4.461 1.00 0.00 H new ATOM 515 N LEU A 30 -2.013 7.857 -0.542 1.00 0.00 N ATOM 516 CA LEU A 30 -0.880 7.481 -1.348 1.00 0.00 C ATOM 517 C LEU A 30 -0.216 8.704 -1.950 1.00 0.00 C ATOM 518 O LEU A 30 0.995 8.850 -1.876 1.00 0.00 O ATOM 519 CB LEU A 30 -1.283 6.501 -2.453 1.00 0.00 C ATOM 520 CG LEU A 30 -1.874 5.169 -1.989 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.241 4.305 -3.176 1.00 0.00 C ATOM 522 CD2 LEU A 30 -0.912 4.439 -1.061 1.00 0.00 C ATOM 0 H LEU A 30 -2.914 7.577 -0.930 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.165 6.981 -0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.011 6.993 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.404 6.292 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.784 5.379 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.660 3.362 -2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.978 4.823 -3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.350 4.107 -3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.357 3.495 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.022 4.242 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.712 5.056 -0.185 1.00 0.00 H new ATOM 534 N VAL A 31 -1.013 9.605 -2.503 1.00 0.00 N ATOM 535 CA VAL A 31 -0.470 10.790 -3.144 1.00 0.00 C ATOM 536 C VAL A 31 0.263 11.693 -2.124 1.00 0.00 C ATOM 537 O VAL A 31 1.337 12.228 -2.421 1.00 0.00 O ATOM 538 CB VAL A 31 -1.550 11.576 -3.968 1.00 0.00 C ATOM 539 CG1 VAL A 31 -2.600 12.231 -3.095 1.00 0.00 C ATOM 540 CG2 VAL A 31 -0.915 12.586 -4.902 1.00 0.00 C ATOM 0 H VAL A 31 -2.031 9.539 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 31 0.271 10.452 -3.869 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.066 10.830 -4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.318 12.759 -3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.118 11.468 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.121 12.939 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.694 13.110 -5.455 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.336 13.304 -4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.257 12.071 -5.602 1.00 0.00 H new ATOM 550 N GLU A 32 -0.297 11.832 -0.915 1.00 0.00 N ATOM 551 CA GLU A 32 0.352 12.614 0.130 1.00 0.00 C ATOM 552 C GLU A 32 1.631 11.912 0.635 1.00 0.00 C ATOM 553 O GLU A 32 2.688 12.546 0.788 1.00 0.00 O ATOM 554 CB GLU A 32 -0.611 12.937 1.309 1.00 0.00 C ATOM 555 CG GLU A 32 -1.188 11.714 1.991 1.00 0.00 C ATOM 556 CD GLU A 32 -2.001 11.997 3.234 1.00 0.00 C ATOM 557 OE1 GLU A 32 -3.196 12.338 3.130 1.00 0.00 O ATOM 558 OE2 GLU A 32 -1.482 11.805 4.346 1.00 0.00 O ATOM 0 H GLU A 32 -1.188 11.416 -0.644 1.00 0.00 H new ATOM 0 HA GLU A 32 0.638 13.566 -0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.076 13.533 2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.430 13.552 0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.817 11.182 1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.370 11.044 2.255 1.00 0.00 H new ATOM 565 N VAL A 33 1.543 10.596 0.827 1.00 0.00 N ATOM 566 CA VAL A 33 2.624 9.815 1.407 1.00 0.00 C ATOM 567 C VAL A 33 3.875 9.820 0.530 1.00 0.00 C ATOM 568 O VAL A 33 4.956 9.743 1.026 1.00 0.00 O ATOM 569 CB VAL A 33 2.210 8.369 1.823 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.223 7.380 0.663 1.00 0.00 C ATOM 571 CG2 VAL A 33 3.052 7.887 2.988 1.00 0.00 C ATOM 0 H VAL A 33 0.719 10.046 0.584 1.00 0.00 H new ATOM 0 HA VAL A 33 2.874 10.324 2.338 1.00 0.00 H new ATOM 0 HB VAL A 33 1.171 8.419 2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.925 6.395 1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.526 7.712 -0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.227 7.325 0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.748 6.877 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.103 7.884 2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.911 8.553 3.839 1.00 0.00 H new ATOM 581 N LEU A 34 3.692 9.942 -0.775 1.00 0.00 N ATOM 582 CA LEU A 34 4.789 9.926 -1.752 1.00 0.00 C ATOM 583 C LEU A 34 5.900 10.949 -1.454 1.00 0.00 C ATOM 584 O LEU A 34 7.033 10.752 -1.887 1.00 0.00 O ATOM 585 CB LEU A 34 4.260 10.146 -3.175 1.00 0.00 C ATOM 586 CG LEU A 34 3.361 9.050 -3.747 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.852 9.446 -5.120 1.00 0.00 C ATOM 588 CD2 LEU A 34 4.103 7.724 -3.817 1.00 0.00 C ATOM 0 H LEU A 34 2.771 10.057 -1.198 1.00 0.00 H new ATOM 0 HA LEU A 34 5.236 8.936 -1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.706 11.084 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.114 10.268 -3.841 1.00 0.00 H new ATOM 0 HG LEU A 34 2.507 8.927 -3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.213 8.655 -5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.279 10.370 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.697 9.598 -5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.443 6.959 -4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.978 7.830 -4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.420 7.431 -2.816 1.00 0.00 H new ATOM 600 N GLU A 35 5.589 12.039 -0.738 1.00 0.00 N ATOM 601 CA GLU A 35 6.640 13.021 -0.427 1.00 0.00 C ATOM 602 C GLU A 35 7.498 12.556 0.770 1.00 0.00 C ATOM 603 O GLU A 35 8.623 13.019 0.968 1.00 0.00 O ATOM 604 CB GLU A 35 6.068 14.417 -0.151 1.00 0.00 C ATOM 605 CG GLU A 35 5.201 14.502 1.088 1.00 0.00 C ATOM 606 CD GLU A 35 4.761 15.904 1.392 1.00 0.00 C ATOM 607 OE1 GLU A 35 5.493 16.624 2.103 1.00 0.00 O ATOM 608 OE2 GLU A 35 3.660 16.302 0.953 1.00 0.00 O ATOM 0 H GLU A 35 4.661 12.259 -0.376 1.00 0.00 H new ATOM 0 HA GLU A 35 7.273 13.090 -1.312 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.893 15.122 -0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.481 14.733 -1.013 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.322 13.871 0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.753 14.106 1.940 1.00 0.00 H new ATOM 615 N SER A 36 6.960 11.646 1.547 1.00 0.00 N ATOM 616 CA SER A 36 7.620 11.125 2.716 1.00 0.00 C ATOM 617 C SER A 36 7.084 9.733 3.036 1.00 0.00 C ATOM 618 O SER A 36 6.321 9.564 3.971 1.00 0.00 O ATOM 619 CB SER A 36 7.434 12.084 3.920 1.00 0.00 C ATOM 620 OG SER A 36 7.959 11.534 5.124 1.00 0.00 O ATOM 0 H SER A 36 6.038 11.242 1.381 1.00 0.00 H new ATOM 0 HA SER A 36 8.689 11.047 2.515 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.928 13.032 3.708 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.374 12.300 4.052 1.00 0.00 H new ATOM 0 HG SER A 36 7.824 12.168 5.859 1.00 0.00 H new ATOM 626 N PRO A 37 7.413 8.715 2.218 1.00 0.00 N ATOM 627 CA PRO A 37 6.947 7.355 2.467 1.00 0.00 C ATOM 628 C PRO A 37 7.746 6.682 3.580 1.00 0.00 C ATOM 629 O PRO A 37 7.334 5.677 4.142 1.00 0.00 O ATOM 630 CB PRO A 37 7.154 6.668 1.121 1.00 0.00 C ATOM 631 CG PRO A 37 8.312 7.378 0.522 1.00 0.00 C ATOM 632 CD PRO A 37 8.176 8.811 0.949 1.00 0.00 C ATOM 0 HA PRO A 37 5.913 7.312 2.809 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.360 5.605 1.244 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.268 6.750 0.492 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.254 6.954 0.870 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.305 7.291 -0.564 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.148 9.281 1.098 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.646 9.405 0.204 1.00 0.00 H new ATOM 640 N ARG A 38 8.872 7.280 3.922 1.00 0.00 N ATOM 641 CA ARG A 38 9.732 6.779 4.974 1.00 0.00 C ATOM 642 C ARG A 38 9.281 7.220 6.372 1.00 0.00 C ATOM 643 O ARG A 38 9.973 7.939 7.071 1.00 0.00 O ATOM 644 CB ARG A 38 11.236 7.060 4.681 1.00 0.00 C ATOM 645 CG ARG A 38 11.554 8.395 3.961 1.00 0.00 C ATOM 646 CD ARG A 38 11.249 9.651 4.776 1.00 0.00 C ATOM 647 NE ARG A 38 11.471 10.876 3.981 1.00 0.00 N ATOM 648 CZ ARG A 38 11.219 12.140 4.394 1.00 0.00 C ATOM 649 NH1 ARG A 38 10.827 12.380 5.646 1.00 0.00 N ATOM 650 NH2 ARG A 38 11.374 13.151 3.553 1.00 0.00 N ATOM 0 H ARG A 38 9.216 8.130 3.475 1.00 0.00 H new ATOM 0 HA ARG A 38 9.629 5.694 4.978 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.778 7.043 5.626 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.626 6.242 4.075 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.610 8.403 3.689 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.985 8.435 3.032 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.215 9.621 5.120 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.880 9.672 5.664 1.00 0.00 H new ATOM 0 HE ARG A 38 11.847 10.759 3.040 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.715 11.607 6.302 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.640 13.336 5.947 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.683 12.976 2.597 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.185 14.105 3.862 1.00 0.00 H new ATOM 664 N ILE A 39 8.087 6.817 6.730 1.00 0.00 N ATOM 665 CA ILE A 39 7.494 7.128 8.021 1.00 0.00 C ATOM 666 C ILE A 39 7.605 5.905 8.927 1.00 0.00 C ATOM 667 O ILE A 39 6.927 4.895 8.703 1.00 0.00 O ATOM 668 CB ILE A 39 6.000 7.538 7.843 1.00 0.00 C ATOM 669 CG1 ILE A 39 5.918 8.779 6.951 1.00 0.00 C ATOM 670 CG2 ILE A 39 5.329 7.806 9.191 1.00 0.00 C ATOM 671 CD1 ILE A 39 4.513 9.207 6.592 1.00 0.00 C ATOM 0 H ILE A 39 7.485 6.255 6.128 1.00 0.00 H new ATOM 0 HA ILE A 39 8.025 7.965 8.475 1.00 0.00 H new ATOM 0 HB ILE A 39 5.468 6.712 7.371 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.417 9.606 7.456 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.471 8.586 6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.289 8.089 9.030 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.369 6.905 9.803 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.850 8.615 9.702 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.553 10.093 5.959 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.013 8.400 6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.959 9.436 7.502 1.00 0.00 H new ATOM 683 N GLU A 40 8.442 5.995 9.953 1.00 0.00 N ATOM 684 CA GLU A 40 8.730 4.848 10.830 1.00 0.00 C ATOM 685 C GLU A 40 7.498 4.377 11.616 1.00 0.00 C ATOM 686 O GLU A 40 7.447 3.236 12.074 1.00 0.00 O ATOM 687 CB GLU A 40 9.891 5.138 11.793 1.00 0.00 C ATOM 688 CG GLU A 40 9.607 6.220 12.816 1.00 0.00 C ATOM 689 CD GLU A 40 10.740 6.424 13.773 1.00 0.00 C ATOM 690 OE1 GLU A 40 10.900 5.621 14.719 1.00 0.00 O ATOM 691 OE2 GLU A 40 11.487 7.404 13.617 1.00 0.00 O ATOM 0 H GLU A 40 8.939 6.849 10.205 1.00 0.00 H new ATOM 0 HA GLU A 40 9.027 4.038 10.164 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.148 4.218 12.318 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.765 5.428 11.210 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.400 7.157 12.299 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.708 5.959 13.374 1.00 0.00 H new ATOM 698 N ALA A 41 6.525 5.251 11.779 1.00 0.00 N ATOM 699 CA ALA A 41 5.295 4.918 12.491 1.00 0.00 C ATOM 700 C ALA A 41 4.399 4.009 11.663 1.00 0.00 C ATOM 701 O ALA A 41 3.522 3.330 12.197 1.00 0.00 O ATOM 702 CB ALA A 41 4.541 6.178 12.865 1.00 0.00 C ATOM 0 H ALA A 41 6.558 6.208 11.426 1.00 0.00 H new ATOM 0 HA ALA A 41 5.577 4.384 13.398 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.627 5.911 13.395 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.165 6.798 13.508 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.288 6.732 11.961 1.00 0.00 H new ATOM 708 N ASN A 42 4.616 3.987 10.369 1.00 0.00 N ATOM 709 CA ASN A 42 3.785 3.176 9.490 1.00 0.00 C ATOM 710 C ASN A 42 4.541 1.963 8.996 1.00 0.00 C ATOM 711 O ASN A 42 3.961 1.085 8.355 1.00 0.00 O ATOM 712 CB ASN A 42 3.257 3.997 8.289 1.00 0.00 C ATOM 713 CG ASN A 42 2.297 5.117 8.682 1.00 0.00 C ATOM 714 OD1 ASN A 42 1.592 5.035 9.684 1.00 0.00 O ATOM 715 ND2 ASN A 42 2.256 6.169 7.894 1.00 0.00 N ATOM 0 H ASN A 42 5.352 4.514 9.898 1.00 0.00 H new ATOM 0 HA ASN A 42 2.929 2.841 10.076 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.104 4.428 7.755 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.752 3.325 7.596 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.627 6.943 8.109 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.853 6.211 7.068 1.00 0.00 H new ATOM 722 N LYS A 43 5.833 1.922 9.299 1.00 0.00 N ATOM 723 CA LYS A 43 6.713 0.883 8.867 1.00 0.00 C ATOM 724 C LYS A 43 6.391 -0.414 9.590 1.00 0.00 C ATOM 725 O LYS A 43 6.217 -0.426 10.811 1.00 0.00 O ATOM 726 CB LYS A 43 8.136 1.288 9.212 1.00 0.00 C ATOM 727 CG LYS A 43 9.169 0.746 8.270 1.00 0.00 C ATOM 728 CD LYS A 43 10.588 1.029 8.765 1.00 0.00 C ATOM 729 CE LYS A 43 11.645 0.620 7.738 1.00 0.00 C ATOM 730 NZ LYS A 43 11.722 1.560 6.595 1.00 0.00 N ATOM 0 H LYS A 43 6.293 2.635 9.866 1.00 0.00 H new ATOM 0 HA LYS A 43 6.597 0.733 7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.201 2.376 9.220 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.365 0.947 10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.030 -0.329 8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.032 1.190 7.284 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.690 2.091 8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.761 0.491 9.697 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.618 0.566 8.226 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.418 -0.380 7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.038 1.049 5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.783 1.973 6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.399 2.318 6.814 1.00 0.00 H new ATOM 744 N LEU A 44 6.319 -1.474 8.845 1.00 0.00 N ATOM 745 CA LEU A 44 6.087 -2.783 9.393 1.00 0.00 C ATOM 746 C LEU A 44 7.413 -3.368 9.822 1.00 0.00 C ATOM 747 O LEU A 44 8.335 -3.505 9.003 1.00 0.00 O ATOM 748 CB LEU A 44 5.423 -3.701 8.370 1.00 0.00 C ATOM 749 CG LEU A 44 4.052 -3.277 7.849 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.530 -4.304 6.880 1.00 0.00 C ATOM 751 CD2 LEU A 44 3.068 -3.095 8.983 1.00 0.00 C ATOM 0 H LEU A 44 6.420 -1.459 7.830 1.00 0.00 H new ATOM 0 HA LEU A 44 5.415 -2.696 10.247 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.094 -3.800 7.517 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.325 -4.691 8.815 1.00 0.00 H new ATOM 0 HG LEU A 44 4.165 -2.320 7.339 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.552 -3.994 6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.220 -4.396 6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.440 -5.267 7.383 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.101 -2.793 8.581 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.958 -4.035 9.524 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.434 -2.326 9.663 1.00 0.00 H new ATOM 763 N ARG A 45 7.508 -3.697 11.077 1.00 0.00 N ATOM 764 CA ARG A 45 8.730 -4.192 11.670 1.00 0.00 C ATOM 765 C ARG A 45 9.142 -5.538 11.055 1.00 0.00 C ATOM 766 O ARG A 45 8.355 -6.487 11.030 1.00 0.00 O ATOM 767 CB ARG A 45 8.547 -4.323 13.192 1.00 0.00 C ATOM 768 CG ARG A 45 9.820 -4.651 13.966 1.00 0.00 C ATOM 769 CD ARG A 45 10.872 -3.566 13.773 1.00 0.00 C ATOM 770 NE ARG A 45 10.391 -2.241 14.191 1.00 0.00 N ATOM 771 CZ ARG A 45 10.765 -1.068 13.654 1.00 0.00 C ATOM 772 NH1 ARG A 45 11.605 -1.034 12.621 1.00 0.00 N ATOM 773 NH2 ARG A 45 10.284 0.071 14.146 1.00 0.00 N ATOM 0 H ARG A 45 6.730 -3.630 11.733 1.00 0.00 H new ATOM 0 HA ARG A 45 9.530 -3.481 11.465 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.136 -3.389 13.576 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.809 -5.100 13.389 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.589 -4.754 15.026 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.216 -5.610 13.632 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.764 -3.823 14.344 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.165 -3.529 12.724 1.00 0.00 H new ATOM 0 HE ARG A 45 9.715 -2.210 14.954 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.970 -1.903 12.231 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.884 -0.139 12.219 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.632 0.053 14.930 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.567 0.962 13.739 1.00 0.00 H new ATOM 787 N GLY A 46 10.351 -5.594 10.519 1.00 0.00 N ATOM 788 CA GLY A 46 10.877 -6.831 9.959 1.00 0.00 C ATOM 789 C GLY A 46 10.641 -6.944 8.467 1.00 0.00 C ATOM 790 O GLY A 46 11.433 -7.550 7.743 1.00 0.00 O ATOM 0 H GLY A 46 10.987 -4.799 10.459 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.947 -6.889 10.159 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.412 -7.679 10.462 1.00 0.00 H new ATOM 794 N MET A 47 9.577 -6.334 8.011 1.00 0.00 N ATOM 795 CA MET A 47 9.185 -6.375 6.615 1.00 0.00 C ATOM 796 C MET A 47 10.075 -5.459 5.798 1.00 0.00 C ATOM 797 O MET A 47 10.422 -4.359 6.264 1.00 0.00 O ATOM 798 CB MET A 47 7.725 -5.951 6.468 1.00 0.00 C ATOM 799 CG MET A 47 6.729 -6.910 7.096 1.00 0.00 C ATOM 800 SD MET A 47 6.594 -8.482 6.210 1.00 0.00 S ATOM 801 CE MET A 47 5.848 -7.936 4.666 1.00 0.00 C ATOM 0 H MET A 47 8.948 -5.788 8.600 1.00 0.00 H new ATOM 0 HA MET A 47 9.296 -7.395 6.248 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.598 -4.967 6.919 1.00 0.00 H new ATOM 0 HB3 MET A 47 7.494 -5.848 5.408 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.024 -7.106 8.127 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.749 -6.434 7.130 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.365 -8.782 4.176 1.00 0.00 H new ATOM 0 HE2 MET A 47 5.106 -7.165 4.873 1.00 0.00 H new ATOM 0 HE3 MET A 47 6.620 -7.531 4.012 1.00 0.00 H new ATOM 811 N PRO A 48 10.480 -5.893 4.587 1.00 0.00 N ATOM 812 CA PRO A 48 11.343 -5.103 3.708 1.00 0.00 C ATOM 813 C PRO A 48 10.680 -3.803 3.246 1.00 0.00 C ATOM 814 O PRO A 48 9.918 -3.785 2.271 1.00 0.00 O ATOM 815 CB PRO A 48 11.638 -6.029 2.522 1.00 0.00 C ATOM 816 CG PRO A 48 10.555 -7.054 2.550 1.00 0.00 C ATOM 817 CD PRO A 48 10.137 -7.202 3.986 1.00 0.00 C ATOM 0 HA PRO A 48 12.247 -4.782 4.225 1.00 0.00 H new ATOM 0 HB2 PRO A 48 11.635 -5.478 1.582 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.621 -6.491 2.618 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.713 -6.744 1.932 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.911 -8.004 2.151 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.072 -7.416 4.073 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.667 -8.019 4.475 1.00 0.00 H new ATOM 825 N ASP A 49 10.914 -2.750 4.039 1.00 0.00 N ATOM 826 CA ASP A 49 10.394 -1.392 3.819 1.00 0.00 C ATOM 827 C ASP A 49 8.924 -1.371 3.480 1.00 0.00 C ATOM 828 O ASP A 49 8.492 -0.672 2.570 1.00 0.00 O ATOM 829 CB ASP A 49 11.215 -0.593 2.794 1.00 0.00 C ATOM 830 CG ASP A 49 12.553 -0.162 3.330 1.00 0.00 C ATOM 831 OD1 ASP A 49 12.596 0.703 4.238 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.594 -0.687 2.885 1.00 0.00 O ATOM 0 H ASP A 49 11.489 -2.821 4.879 1.00 0.00 H new ATOM 0 HA ASP A 49 10.506 -0.888 4.779 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.364 -1.201 1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.650 0.288 2.489 1.00 0.00 H new ATOM 837 N CYS A 50 8.154 -2.113 4.227 1.00 0.00 N ATOM 838 CA CYS A 50 6.740 -2.157 4.005 1.00 0.00 C ATOM 839 C CYS A 50 6.062 -1.252 5.008 1.00 0.00 C ATOM 840 O CYS A 50 6.511 -1.141 6.152 1.00 0.00 O ATOM 841 CB CYS A 50 6.229 -3.587 4.125 1.00 0.00 C ATOM 842 SG CYS A 50 7.063 -4.760 3.026 1.00 0.00 S ATOM 0 H CYS A 50 8.485 -2.696 4.996 1.00 0.00 H new ATOM 0 HA CYS A 50 6.512 -1.810 2.997 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.351 -3.920 5.156 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.160 -3.600 3.910 1.00 0.00 H new ATOM 0 HG CYS A 50 8.240 -4.304 2.717 1.00 0.00 H new ATOM 848 N TYR A 51 5.036 -0.580 4.574 1.00 0.00 N ATOM 849 CA TYR A 51 4.313 0.358 5.393 1.00 0.00 C ATOM 850 C TYR A 51 2.839 0.112 5.223 1.00 0.00 C ATOM 851 O TYR A 51 2.406 -0.373 4.165 1.00 0.00 O ATOM 852 CB TYR A 51 4.626 1.811 4.976 1.00 0.00 C ATOM 853 CG TYR A 51 6.086 2.211 5.063 1.00 0.00 C ATOM 854 CD1 TYR A 51 6.986 1.841 4.083 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.558 2.959 6.118 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.311 2.195 4.156 1.00 0.00 C ATOM 857 CE2 TYR A 51 7.886 3.319 6.195 1.00 0.00 C ATOM 858 CZ TYR A 51 8.753 2.931 5.209 1.00 0.00 C ATOM 859 OH TYR A 51 10.078 3.274 5.289 1.00 0.00 O ATOM 0 H TYR A 51 4.669 -0.667 3.626 1.00 0.00 H new ATOM 0 HA TYR A 51 4.613 0.220 6.432 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.287 1.958 3.951 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.044 2.485 5.604 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.640 1.260 3.241 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.877 3.268 6.897 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.998 1.890 3.380 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.241 3.905 7.030 1.00 0.00 H new ATOM 0 HH TYR A 51 10.231 3.801 6.101 1.00 0.00 H new ATOM 869 N LYS A 52 2.080 0.419 6.235 1.00 0.00 N ATOM 870 CA LYS A 52 0.653 0.254 6.183 1.00 0.00 C ATOM 871 C LYS A 52 -0.049 1.586 6.405 1.00 0.00 C ATOM 872 O LYS A 52 0.389 2.405 7.221 1.00 0.00 O ATOM 873 CB LYS A 52 0.168 -0.768 7.237 1.00 0.00 C ATOM 874 CG LYS A 52 0.528 -0.406 8.680 1.00 0.00 C ATOM 875 CD LYS A 52 -0.148 -1.329 9.680 1.00 0.00 C ATOM 876 CE LYS A 52 0.252 -0.986 11.108 1.00 0.00 C ATOM 877 NZ LYS A 52 -0.517 -1.761 12.107 1.00 0.00 N ATOM 0 H LYS A 52 2.430 0.790 7.118 1.00 0.00 H new ATOM 0 HA LYS A 52 0.403 -0.124 5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.915 -0.866 7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.594 -1.743 7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.609 -0.460 8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.234 0.624 8.880 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.230 -1.252 9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.121 -2.363 9.463 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.316 -1.180 11.242 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.098 0.079 11.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.211 -1.494 13.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.531 -1.557 11.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.351 -2.777 11.961 1.00 0.00 H new ATOM 891 N ILE A 53 -1.100 1.807 5.670 1.00 0.00 N ATOM 892 CA ILE A 53 -1.949 2.965 5.856 1.00 0.00 C ATOM 893 C ILE A 53 -3.341 2.472 6.182 1.00 0.00 C ATOM 894 O ILE A 53 -3.823 1.523 5.559 1.00 0.00 O ATOM 895 CB ILE A 53 -1.989 3.901 4.600 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.589 4.480 4.318 1.00 0.00 C ATOM 897 CG2 ILE A 53 -3.021 5.029 4.779 1.00 0.00 C ATOM 898 CD1 ILE A 53 -0.534 5.448 3.150 1.00 0.00 C ATOM 0 H ILE A 53 -1.401 1.188 4.917 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.540 3.566 6.668 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.297 3.304 3.742 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.233 4.989 5.213 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.099 3.657 4.125 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.026 5.662 3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.011 4.597 4.922 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.758 5.628 5.651 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.487 5.807 3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.856 4.940 2.241 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.193 6.293 3.347 1.00 0.00 H new ATOM 910 N LYS A 54 -3.953 3.072 7.169 1.00 0.00 N ATOM 911 CA LYS A 54 -5.277 2.694 7.598 1.00 0.00 C ATOM 912 C LYS A 54 -6.325 3.734 7.198 1.00 0.00 C ATOM 913 O LYS A 54 -5.997 4.911 6.968 1.00 0.00 O ATOM 914 CB LYS A 54 -5.293 2.337 9.099 1.00 0.00 C ATOM 915 CG LYS A 54 -4.507 3.270 10.000 1.00 0.00 C ATOM 916 CD LYS A 54 -5.120 4.639 10.114 1.00 0.00 C ATOM 917 CE LYS A 54 -4.178 5.549 10.833 1.00 0.00 C ATOM 918 NZ LYS A 54 -4.729 6.891 11.037 1.00 0.00 N ATOM 0 H LYS A 54 -3.546 3.841 7.702 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.562 1.785 7.068 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.328 2.318 9.439 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.900 1.327 9.219 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.433 2.828 10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.491 3.365 9.617 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.339 5.035 9.122 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.067 4.581 10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.927 5.114 11.800 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.250 5.625 10.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.034 7.479 11.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.945 7.322 10.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.600 6.826 11.601 1.00 0.00 H new ATOM 932 N LEU A 55 -7.560 3.314 7.126 1.00 0.00 N ATOM 933 CA LEU A 55 -8.612 4.154 6.612 1.00 0.00 C ATOM 934 C LEU A 55 -9.334 4.901 7.737 1.00 0.00 C ATOM 935 O LEU A 55 -9.194 4.568 8.924 1.00 0.00 O ATOM 936 CB LEU A 55 -9.628 3.305 5.844 1.00 0.00 C ATOM 937 CG LEU A 55 -10.475 4.040 4.820 1.00 0.00 C ATOM 938 CD1 LEU A 55 -9.668 4.307 3.584 1.00 0.00 C ATOM 939 CD2 LEU A 55 -11.743 3.293 4.487 1.00 0.00 C ATOM 0 H LEU A 55 -7.865 2.386 7.420 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.155 4.887 5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.091 2.505 5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.295 2.832 6.565 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.778 4.990 5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.283 4.834 2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.803 4.919 3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.331 3.362 3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.315 3.858 3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.492 2.314 4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.339 3.167 5.391 1.00 0.00 H new ATOM 951 N ARG A 56 -10.109 5.897 7.361 1.00 0.00 N ATOM 952 CA ARG A 56 -10.892 6.667 8.304 1.00 0.00 C ATOM 953 C ARG A 56 -12.281 6.058 8.499 1.00 0.00 C ATOM 954 O ARG A 56 -12.665 5.742 9.619 1.00 0.00 O ATOM 955 CB ARG A 56 -11.008 8.124 7.847 1.00 0.00 C ATOM 956 CG ARG A 56 -9.700 8.906 7.879 1.00 0.00 C ATOM 957 CD ARG A 56 -9.160 9.006 9.296 1.00 0.00 C ATOM 958 NE ARG A 56 -7.915 9.780 9.379 1.00 0.00 N ATOM 959 CZ ARG A 56 -7.060 9.732 10.420 1.00 0.00 C ATOM 960 NH1 ARG A 56 -7.236 8.837 11.397 1.00 0.00 N ATOM 961 NH2 ARG A 56 -6.011 10.541 10.460 1.00 0.00 N ATOM 0 H ARG A 56 -10.214 6.196 6.391 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.375 6.642 9.263 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.402 8.142 6.831 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.735 8.633 8.480 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.965 8.418 7.239 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.860 9.906 7.475 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.913 9.468 9.935 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.985 8.003 9.685 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.682 10.394 8.598 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.020 8.186 11.357 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.586 8.805 12.182 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.848 11.203 9.701 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.366 10.502 11.249 1.00 0.00 H new ATOM 975 N SER A 57 -13.011 5.875 7.401 1.00 0.00 N ATOM 976 CA SER A 57 -14.383 5.362 7.443 1.00 0.00 C ATOM 977 C SER A 57 -14.493 3.971 8.123 1.00 0.00 C ATOM 978 O SER A 57 -15.175 3.815 9.138 1.00 0.00 O ATOM 979 CB SER A 57 -14.936 5.305 6.027 1.00 0.00 C ATOM 980 OG SER A 57 -14.781 6.559 5.367 1.00 0.00 O ATOM 0 H SER A 57 -12.672 6.076 6.460 1.00 0.00 H new ATOM 0 HA SER A 57 -14.971 6.046 8.054 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.421 4.527 5.463 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.991 5.033 6.056 1.00 0.00 H new ATOM 0 HG SER A 57 -13.831 6.718 5.185 1.00 0.00 H new ATOM 986 N SER A 58 -13.814 2.985 7.580 1.00 0.00 N ATOM 987 CA SER A 58 -13.866 1.644 8.113 1.00 0.00 C ATOM 988 C SER A 58 -12.471 1.057 8.225 1.00 0.00 C ATOM 989 O SER A 58 -11.487 1.749 7.929 1.00 0.00 O ATOM 990 CB SER A 58 -14.797 0.771 7.270 1.00 0.00 C ATOM 991 OG SER A 58 -16.134 1.270 7.335 1.00 0.00 O ATOM 0 H SER A 58 -13.214 3.090 6.762 1.00 0.00 H new ATOM 0 HA SER A 58 -14.279 1.678 9.121 1.00 0.00 H new ATOM 0 HB2 SER A 58 -14.456 0.757 6.235 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.767 -0.258 7.629 1.00 0.00 H new ATOM 0 HG SER A 58 -16.721 0.705 6.791 1.00 0.00 H new ATOM 997 N GLY A 59 -12.378 -0.186 8.650 1.00 0.00 N ATOM 998 CA GLY A 59 -11.105 -0.823 8.900 1.00 0.00 C ATOM 999 C GLY A 59 -10.428 -1.372 7.657 1.00 0.00 C ATOM 1000 O GLY A 59 -10.209 -2.582 7.542 1.00 0.00 O ATOM 0 H GLY A 59 -13.185 -0.783 8.832 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.438 -0.103 9.375 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.252 -1.637 9.609 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.095 -0.500 6.745 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.373 -0.872 5.544 1.00 0.00 C ATOM 1006 C TYR A 60 -7.940 -0.462 5.694 1.00 0.00 C ATOM 1007 O TYR A 60 -7.656 0.592 6.259 1.00 0.00 O ATOM 1008 CB TYR A 60 -9.969 -0.228 4.291 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.285 -0.819 3.842 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.471 -0.510 4.485 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.332 -1.692 2.762 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.667 -1.054 4.070 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.523 -2.239 2.338 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.690 -1.917 2.997 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.886 -2.471 2.584 1.00 0.00 O ATOM 0 H TYR A 60 -10.314 0.494 6.808 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.451 -1.952 5.420 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.109 0.837 4.478 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.250 -0.316 3.477 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.459 0.168 5.325 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.418 -1.946 2.246 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.583 -0.804 4.584 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.542 -2.915 1.496 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.727 -3.056 1.814 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.042 -1.295 5.250 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.635 -1.011 5.339 1.00 0.00 C ATOM 1027 C ARG A 61 -4.960 -1.372 4.044 1.00 0.00 C ATOM 1028 O ARG A 61 -5.328 -2.351 3.381 1.00 0.00 O ATOM 1029 CB ARG A 61 -4.921 -1.714 6.538 1.00 0.00 C ATOM 1030 CG ARG A 61 -5.363 -1.249 7.936 1.00 0.00 C ATOM 1031 CD ARG A 61 -6.669 -1.894 8.376 1.00 0.00 C ATOM 1032 NE ARG A 61 -7.240 -1.268 9.577 1.00 0.00 N ATOM 1033 CZ ARG A 61 -7.726 -1.931 10.638 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -7.417 -3.204 10.831 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -8.443 -1.296 11.553 1.00 0.00 N ATOM 0 H ARG A 61 -7.263 -2.191 4.816 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.547 0.059 5.526 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.091 -2.788 6.461 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.847 -1.554 6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.582 -1.486 8.659 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.478 -0.165 7.936 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.391 -1.832 7.562 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.498 -2.953 8.571 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.269 -0.249 9.606 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.806 -3.686 10.171 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.790 -3.702 11.639 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.628 -0.298 11.453 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.810 -1.805 12.357 1.00 0.00 H new ATOM 1049 N LEU A 62 -4.013 -0.582 3.676 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.271 -0.782 2.472 1.00 0.00 C ATOM 1051 C LEU A 62 -1.809 -0.957 2.856 1.00 0.00 C ATOM 1052 O LEU A 62 -1.267 -0.157 3.630 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.521 0.428 1.529 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.909 0.404 0.114 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.598 1.434 -0.763 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.437 0.726 0.159 1.00 0.00 C ATOM 0 H LEU A 62 -3.724 0.237 4.210 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.583 -1.674 1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.599 0.545 1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.153 1.321 2.033 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.048 -0.597 -0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.161 1.412 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.662 1.204 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.467 2.426 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.028 0.703 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.295 1.719 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.922 -0.011 0.776 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.194 -2.011 2.360 1.00 0.00 N ATOM 1069 CA VAL A 63 0.185 -2.320 2.680 1.00 0.00 C ATOM 1070 C VAL A 63 1.027 -2.240 1.407 1.00 0.00 C ATOM 1071 O VAL A 63 0.708 -2.878 0.379 1.00 0.00 O ATOM 1072 CB VAL A 63 0.329 -3.740 3.315 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.762 -3.997 3.769 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.635 -3.921 4.485 1.00 0.00 C ATOM 0 H VAL A 63 -1.635 -2.677 1.725 1.00 0.00 H new ATOM 0 HA VAL A 63 0.534 -1.592 3.412 1.00 0.00 H new ATOM 0 HB VAL A 63 0.076 -4.469 2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.832 -4.993 4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.433 -3.929 2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.047 -3.253 4.513 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.512 -4.919 4.907 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.422 -3.175 5.250 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.660 -3.799 4.134 1.00 0.00 H new ATOM 1084 N TYR A 64 2.074 -1.469 1.464 1.00 0.00 N ATOM 1085 CA TYR A 64 2.939 -1.264 0.330 1.00 0.00 C ATOM 1086 C TYR A 64 4.381 -1.346 0.743 1.00 0.00 C ATOM 1087 O TYR A 64 4.694 -1.207 1.919 1.00 0.00 O ATOM 1088 CB TYR A 64 2.660 0.090 -0.359 1.00 0.00 C ATOM 1089 CG TYR A 64 2.764 1.324 0.528 1.00 0.00 C ATOM 1090 CD1 TYR A 64 3.979 1.759 1.049 1.00 0.00 C ATOM 1091 CD2 TYR A 64 1.645 2.067 0.809 1.00 0.00 C ATOM 1092 CE1 TYR A 64 4.056 2.888 1.823 1.00 0.00 C ATOM 1093 CE2 TYR A 64 1.712 3.193 1.580 1.00 0.00 C ATOM 1094 CZ TYR A 64 2.920 3.601 2.087 1.00 0.00 C ATOM 1095 OH TYR A 64 2.987 4.721 2.868 1.00 0.00 O ATOM 0 H TYR A 64 2.357 -0.960 2.302 1.00 0.00 H new ATOM 0 HA TYR A 64 2.730 -2.057 -0.388 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.358 0.203 -1.189 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.658 0.058 -0.787 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.877 1.197 0.840 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.690 1.755 0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.007 3.211 2.221 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.817 3.760 1.790 1.00 0.00 H new ATOM 0 HH TYR A 64 3.828 5.193 2.692 1.00 0.00 H new ATOM 1105 N GLN A 65 5.236 -1.595 -0.198 1.00 0.00 N ATOM 1106 CA GLN A 65 6.649 -1.572 0.049 1.00 0.00 C ATOM 1107 C GLN A 65 7.232 -0.358 -0.635 1.00 0.00 C ATOM 1108 O GLN A 65 6.801 0.016 -1.730 1.00 0.00 O ATOM 1109 CB GLN A 65 7.345 -2.833 -0.464 1.00 0.00 C ATOM 1110 CG GLN A 65 7.191 -3.055 -1.962 1.00 0.00 C ATOM 1111 CD GLN A 65 8.006 -4.205 -2.500 1.00 0.00 C ATOM 1112 OE1 GLN A 65 7.604 -4.852 -3.456 1.00 0.00 O ATOM 1113 NE2 GLN A 65 9.170 -4.439 -1.941 1.00 0.00 N ATOM 0 H GLN A 65 4.978 -1.820 -1.159 1.00 0.00 H new ATOM 0 HA GLN A 65 6.810 -1.530 1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.406 -2.775 -0.222 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.945 -3.698 0.065 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.139 -3.233 -2.186 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.479 -2.143 -2.485 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.475 -3.880 -1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.770 -5.180 -2.303 1.00 0.00 H new ATOM 1122 N VAL A 66 8.146 0.273 -0.002 1.00 0.00 N ATOM 1123 CA VAL A 66 8.808 1.381 -0.598 1.00 0.00 C ATOM 1124 C VAL A 66 10.130 0.907 -1.111 1.00 0.00 C ATOM 1125 O VAL A 66 11.005 0.509 -0.342 1.00 0.00 O ATOM 1126 CB VAL A 66 9.011 2.548 0.396 1.00 0.00 C ATOM 1127 CG1 VAL A 66 9.770 3.703 -0.257 1.00 0.00 C ATOM 1128 CG2 VAL A 66 7.670 3.030 0.904 1.00 0.00 C ATOM 0 H VAL A 66 8.460 0.042 0.941 1.00 0.00 H new ATOM 0 HA VAL A 66 8.189 1.766 -1.408 1.00 0.00 H new ATOM 0 HB VAL A 66 9.606 2.183 1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.898 4.509 0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.748 3.354 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.206 4.070 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.820 3.852 1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.065 3.374 0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.157 2.212 1.410 1.00 0.00 H new ATOM 1138 N ILE A 67 10.264 0.888 -2.389 1.00 0.00 N ATOM 1139 CA ILE A 67 11.485 0.502 -2.979 1.00 0.00 C ATOM 1140 C ILE A 67 12.218 1.774 -3.289 1.00 0.00 C ATOM 1141 O ILE A 67 11.987 2.407 -4.332 1.00 0.00 O ATOM 1142 CB ILE A 67 11.256 -0.293 -4.287 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.260 -1.435 -4.042 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.583 -0.849 -4.798 1.00 0.00 C ATOM 1145 CD1 ILE A 67 9.858 -2.179 -5.292 1.00 0.00 C ATOM 0 H ILE A 67 9.529 1.140 -3.050 1.00 0.00 H new ATOM 0 HA ILE A 67 12.045 -0.146 -2.304 1.00 0.00 H new ATOM 0 HB ILE A 67 10.842 0.376 -5.041 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.699 -2.141 -3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.365 -1.028 -3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.413 -1.407 -5.719 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.271 -0.026 -4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.014 -1.511 -4.047 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.153 -2.969 -5.034 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.388 -1.488 -5.992 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.742 -2.618 -5.754 1.00 0.00 H new ATOM 1157 N ASP A 68 13.076 2.175 -2.384 1.00 0.00 N ATOM 1158 CA ASP A 68 13.815 3.424 -2.539 1.00 0.00 C ATOM 1159 C ASP A 68 14.801 3.308 -3.678 1.00 0.00 C ATOM 1160 O ASP A 68 15.059 4.271 -4.392 1.00 0.00 O ATOM 1161 CB ASP A 68 14.518 3.810 -1.241 1.00 0.00 C ATOM 1162 CG ASP A 68 15.254 5.125 -1.350 1.00 0.00 C ATOM 1163 OD1 ASP A 68 14.616 6.197 -1.239 1.00 0.00 O ATOM 1164 OD2 ASP A 68 16.471 5.119 -1.545 1.00 0.00 O ATOM 0 H ASP A 68 13.287 1.661 -1.528 1.00 0.00 H new ATOM 0 HA ASP A 68 13.106 4.217 -2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.783 3.874 -0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.222 3.025 -0.966 1.00 0.00 H new ATOM 1169 N GLU A 69 15.267 2.084 -3.886 1.00 0.00 N ATOM 1170 CA GLU A 69 16.213 1.742 -4.944 1.00 0.00 C ATOM 1171 C GLU A 69 15.658 2.133 -6.316 1.00 0.00 C ATOM 1172 O GLU A 69 16.391 2.556 -7.196 1.00 0.00 O ATOM 1173 CB GLU A 69 16.448 0.237 -4.961 1.00 0.00 C ATOM 1174 CG GLU A 69 16.787 -0.379 -3.622 1.00 0.00 C ATOM 1175 CD GLU A 69 16.987 -1.864 -3.740 1.00 0.00 C ATOM 1176 OE1 GLU A 69 16.053 -2.571 -4.178 1.00 0.00 O ATOM 1177 OE2 GLU A 69 18.092 -2.355 -3.455 1.00 0.00 O ATOM 0 H GLU A 69 14.994 1.285 -3.314 1.00 0.00 H new ATOM 0 HA GLU A 69 17.139 2.281 -4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.554 -0.249 -5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.258 0.020 -5.658 1.00 0.00 H new ATOM 0 HG2 GLU A 69 17.692 0.082 -3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.987 -0.173 -2.911 1.00 0.00 H new ATOM 1184 N LYS A 70 14.368 1.932 -6.503 1.00 0.00 N ATOM 1185 CA LYS A 70 13.723 2.225 -7.774 1.00 0.00 C ATOM 1186 C LYS A 70 12.825 3.449 -7.671 1.00 0.00 C ATOM 1187 O LYS A 70 12.157 3.838 -8.639 1.00 0.00 O ATOM 1188 CB LYS A 70 12.988 0.986 -8.281 1.00 0.00 C ATOM 1189 CG LYS A 70 13.950 -0.164 -8.539 1.00 0.00 C ATOM 1190 CD LYS A 70 13.258 -1.450 -8.919 1.00 0.00 C ATOM 1191 CE LYS A 70 14.287 -2.553 -9.100 1.00 0.00 C ATOM 1192 NZ LYS A 70 13.670 -3.866 -9.330 1.00 0.00 N ATOM 0 H LYS A 70 13.740 1.565 -5.788 1.00 0.00 H new ATOM 0 HA LYS A 70 14.484 2.477 -8.512 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.241 0.680 -7.549 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.454 1.229 -9.200 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.638 0.119 -9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.550 -0.333 -7.645 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.542 -1.731 -8.146 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.694 -1.311 -9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.934 -2.307 -9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.921 -2.603 -8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.414 -4.583 -9.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.073 -4.116 -8.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.086 -3.829 -10.190 1.00 0.00 H new ATOM 1206 N VAL A 71 12.834 4.054 -6.473 1.00 0.00 N ATOM 1207 CA VAL A 71 12.103 5.292 -6.150 1.00 0.00 C ATOM 1208 C VAL A 71 10.574 5.067 -6.326 1.00 0.00 C ATOM 1209 O VAL A 71 9.810 5.975 -6.650 1.00 0.00 O ATOM 1210 CB VAL A 71 12.603 6.501 -7.034 1.00 0.00 C ATOM 1211 CG1 VAL A 71 12.114 7.833 -6.485 1.00 0.00 C ATOM 1212 CG2 VAL A 71 14.127 6.517 -7.161 1.00 0.00 C ATOM 0 H VAL A 71 13.363 3.688 -5.681 1.00 0.00 H new ATOM 0 HA VAL A 71 12.302 5.548 -5.109 1.00 0.00 H new ATOM 0 HB VAL A 71 12.178 6.358 -8.028 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.477 8.643 -7.118 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.024 7.843 -6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.490 7.969 -5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.432 7.363 -7.776 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.574 6.609 -6.171 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.463 5.590 -7.626 1.00 0.00 H new ATOM 1222 N VAL A 72 10.126 3.876 -6.032 1.00 0.00 N ATOM 1223 CA VAL A 72 8.743 3.549 -6.241 1.00 0.00 C ATOM 1224 C VAL A 72 8.146 2.853 -5.030 1.00 0.00 C ATOM 1225 O VAL A 72 8.787 2.039 -4.373 1.00 0.00 O ATOM 1226 CB VAL A 72 8.528 2.704 -7.545 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.250 1.379 -7.491 1.00 0.00 C ATOM 1228 CG2 VAL A 72 7.050 2.500 -7.872 1.00 0.00 C ATOM 0 H VAL A 72 10.695 3.121 -5.649 1.00 0.00 H new ATOM 0 HA VAL A 72 8.213 4.492 -6.378 1.00 0.00 H new ATOM 0 HB VAL A 72 8.965 3.289 -8.354 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.072 0.830 -8.415 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.320 1.552 -7.372 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.881 0.798 -6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.957 1.909 -8.783 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.564 1.976 -7.049 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.572 3.469 -8.018 1.00 0.00 H new ATOM 1238 N VAL A 73 6.959 3.235 -4.730 1.00 0.00 N ATOM 1239 CA VAL A 73 6.170 2.674 -3.700 1.00 0.00 C ATOM 1240 C VAL A 73 5.232 1.683 -4.372 1.00 0.00 C ATOM 1241 O VAL A 73 4.400 2.061 -5.214 1.00 0.00 O ATOM 1242 CB VAL A 73 5.361 3.787 -2.989 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.503 3.220 -1.895 1.00 0.00 C ATOM 1244 CG2 VAL A 73 6.288 4.862 -2.437 1.00 0.00 C ATOM 0 H VAL A 73 6.487 3.991 -5.226 1.00 0.00 H new ATOM 0 HA VAL A 73 6.785 2.183 -2.946 1.00 0.00 H new ATOM 0 HB VAL A 73 4.705 4.245 -3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.947 4.025 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.804 2.498 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.134 2.724 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.697 5.633 -1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.976 4.416 -1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.855 5.308 -3.254 1.00 0.00 H new ATOM 1254 N PHE A 74 5.388 0.442 -4.045 1.00 0.00 N ATOM 1255 CA PHE A 74 4.666 -0.606 -4.699 1.00 0.00 C ATOM 1256 C PHE A 74 3.655 -1.212 -3.732 1.00 0.00 C ATOM 1257 O PHE A 74 4.033 -1.795 -2.711 1.00 0.00 O ATOM 1258 CB PHE A 74 5.669 -1.665 -5.178 1.00 0.00 C ATOM 1259 CG PHE A 74 5.145 -2.616 -6.210 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.432 -3.745 -5.855 1.00 0.00 C ATOM 1261 CD2 PHE A 74 5.389 -2.381 -7.548 1.00 0.00 C ATOM 1262 CE1 PHE A 74 3.972 -4.615 -6.819 1.00 0.00 C ATOM 1263 CE2 PHE A 74 4.931 -3.246 -8.512 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.220 -4.365 -8.148 1.00 0.00 C ATOM 0 H PHE A 74 6.023 0.122 -3.313 1.00 0.00 H new ATOM 0 HA PHE A 74 4.121 -0.215 -5.558 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.543 -1.157 -5.585 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.007 -2.239 -4.315 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.234 -3.947 -4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.948 -1.505 -7.841 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.416 -5.495 -6.530 1.00 0.00 H new ATOM 0 HE2 PHE A 74 5.129 -3.047 -9.555 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.857 -5.046 -8.904 1.00 0.00 H new ATOM 1274 N VAL A 75 2.388 -1.049 -4.038 1.00 0.00 N ATOM 1275 CA VAL A 75 1.311 -1.577 -3.217 1.00 0.00 C ATOM 1276 C VAL A 75 1.240 -3.082 -3.385 1.00 0.00 C ATOM 1277 O VAL A 75 1.111 -3.570 -4.499 1.00 0.00 O ATOM 1278 CB VAL A 75 -0.052 -0.937 -3.588 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -1.186 -1.499 -2.733 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.022 0.580 -3.462 1.00 0.00 C ATOM 0 H VAL A 75 2.069 -0.545 -4.866 1.00 0.00 H new ATOM 0 HA VAL A 75 1.521 -1.330 -2.176 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.270 -1.190 -4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.126 -1.028 -3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.258 -2.576 -2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.984 -1.295 -1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.942 1.014 -3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.272 0.848 -2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.789 0.964 -4.135 1.00 0.00 H new ATOM 1290 N ILE A 76 1.329 -3.801 -2.289 1.00 0.00 N ATOM 1291 CA ILE A 76 1.359 -5.251 -2.343 1.00 0.00 C ATOM 1292 C ILE A 76 -0.022 -5.823 -2.060 1.00 0.00 C ATOM 1293 O ILE A 76 -0.473 -6.762 -2.726 1.00 0.00 O ATOM 1294 CB ILE A 76 2.340 -5.826 -1.289 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.724 -5.182 -1.423 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.453 -7.344 -1.440 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.688 -5.602 -0.338 1.00 0.00 C ATOM 0 H ILE A 76 1.382 -3.409 -1.349 1.00 0.00 H new ATOM 0 HA ILE A 76 1.687 -5.531 -3.344 1.00 0.00 H new ATOM 0 HB ILE A 76 1.946 -5.596 -0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.145 -5.442 -2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.616 -4.098 -1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.145 -7.733 -0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.472 -7.798 -1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.822 -7.584 -2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.648 -5.109 -0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.287 -5.317 0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.825 -6.683 -0.372 1.00 0.00 H new ATOM 1309 N SER A 77 -0.693 -5.263 -1.081 1.00 0.00 N ATOM 1310 CA SER A 77 -1.983 -5.761 -0.668 1.00 0.00 C ATOM 1311 C SER A 77 -2.860 -4.611 -0.193 1.00 0.00 C ATOM 1312 O SER A 77 -2.360 -3.626 0.372 1.00 0.00 O ATOM 1313 CB SER A 77 -1.794 -6.793 0.451 1.00 0.00 C ATOM 1314 OG SER A 77 -0.952 -7.850 0.024 1.00 0.00 O ATOM 0 H SER A 77 -0.363 -4.456 -0.552 1.00 0.00 H new ATOM 0 HA SER A 77 -2.477 -6.240 -1.514 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.363 -6.310 1.328 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.763 -7.192 0.751 1.00 0.00 H new ATOM 0 HG SER A 77 -0.585 -8.313 0.806 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.140 -4.719 -0.442 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.089 -3.708 -0.057 1.00 0.00 C ATOM 1322 C VAL A 78 -6.439 -4.371 0.240 1.00 0.00 C ATOM 1323 O VAL A 78 -6.806 -5.350 -0.413 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.225 -2.604 -1.166 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -5.696 -3.175 -2.497 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -6.132 -1.476 -0.718 1.00 0.00 C ATOM 0 H VAL A 78 -4.555 -5.518 -0.921 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.733 -3.209 0.844 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.225 -2.198 -1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.774 -2.372 -3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.980 -3.918 -2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.671 -3.644 -2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.203 -0.730 -1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.124 -1.871 -0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.722 -1.014 0.180 1.00 0.00 H new ATOM 1336 N GLY A 79 -7.120 -3.890 1.251 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.417 -4.410 1.610 1.00 0.00 C ATOM 1338 C GLY A 79 -8.640 -4.218 3.078 1.00 0.00 C ATOM 1339 O GLY A 79 -8.077 -3.296 3.664 1.00 0.00 O ATOM 0 H GLY A 79 -6.792 -3.130 1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.195 -3.900 1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.480 -5.468 1.357 1.00 0.00 H new ATOM 1343 N LYS A 80 -9.439 -5.044 3.691 1.00 0.00 N ATOM 1344 CA LYS A 80 -9.600 -4.948 5.118 1.00 0.00 C ATOM 1345 C LYS A 80 -8.596 -5.852 5.749 1.00 0.00 C ATOM 1346 O LYS A 80 -8.229 -6.883 5.168 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.997 -5.348 5.605 1.00 0.00 C ATOM 1348 CG LYS A 80 -12.151 -4.588 4.977 1.00 0.00 C ATOM 1349 CD LYS A 80 -13.469 -4.844 5.720 1.00 0.00 C ATOM 1350 CE LYS A 80 -13.785 -6.332 5.859 1.00 0.00 C ATOM 1351 NZ LYS A 80 -13.942 -7.012 4.561 1.00 0.00 N ATOM 0 H LYS A 80 -9.981 -5.780 3.238 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.459 -3.904 5.398 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.139 -6.412 5.414 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.039 -5.210 6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.931 -3.521 4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.258 -4.885 3.934 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.417 -4.393 6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.283 -4.351 5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.987 -6.816 6.422 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.701 -6.451 6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.155 -8.018 4.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.721 -6.572 4.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.061 -6.927 4.015 1.00 0.00 H new ATOM 1365 N ALA A 81 -8.134 -5.504 6.911 1.00 0.00 N ATOM 1366 CA ALA A 81 -7.208 -6.353 7.589 1.00 0.00 C ATOM 1367 C ALA A 81 -7.969 -7.392 8.378 1.00 0.00 C ATOM 1368 O ALA A 81 -8.087 -7.309 9.604 1.00 0.00 O ATOM 1369 CB ALA A 81 -6.242 -5.574 8.462 1.00 0.00 C ATOM 0 H ALA A 81 -8.381 -4.646 7.404 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.591 -6.856 6.844 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.559 -6.265 8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.672 -4.880 7.844 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.800 -5.016 9.214 1.00 0.00 H new ATOM 1426 N VAL A 86 -3.836 -9.487 4.360 1.00 0.00 N ATOM 1427 CA VAL A 86 -2.968 -8.516 3.693 1.00 0.00 C ATOM 1428 C VAL A 86 -1.526 -8.530 4.216 1.00 0.00 C ATOM 1429 O VAL A 86 -0.638 -8.011 3.576 1.00 0.00 O ATOM 1430 CB VAL A 86 -3.550 -7.072 3.760 1.00 0.00 C ATOM 1431 CG1 VAL A 86 -4.879 -6.993 3.022 1.00 0.00 C ATOM 1432 CG2 VAL A 86 -3.719 -6.609 5.206 1.00 0.00 C ATOM 0 HA VAL A 86 -2.935 -8.831 2.650 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.839 -6.406 3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.268 -5.977 3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.732 -7.265 1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.590 -7.681 3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.127 -5.598 5.219 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.401 -7.282 5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.750 -6.616 5.706 1.00 0.00 H new ATOM 1442 N TYR A 87 -1.305 -9.107 5.377 1.00 0.00 N ATOM 1443 CA TYR A 87 0.043 -9.173 5.912 1.00 0.00 C ATOM 1444 C TYR A 87 0.712 -10.467 5.490 1.00 0.00 C ATOM 1445 O TYR A 87 1.870 -10.476 5.068 1.00 0.00 O ATOM 1446 CB TYR A 87 0.055 -9.034 7.439 1.00 0.00 C ATOM 1447 CG TYR A 87 -0.485 -7.711 7.942 1.00 0.00 C ATOM 1448 CD1 TYR A 87 0.312 -6.575 7.945 1.00 0.00 C ATOM 1449 CD2 TYR A 87 -1.787 -7.599 8.413 1.00 0.00 C ATOM 1450 CE1 TYR A 87 -0.170 -5.365 8.400 1.00 0.00 C ATOM 1451 CE2 TYR A 87 -2.277 -6.392 8.872 1.00 0.00 C ATOM 1452 CZ TYR A 87 -1.465 -5.278 8.863 1.00 0.00 C ATOM 1453 OH TYR A 87 -1.952 -4.065 9.311 1.00 0.00 O ATOM 0 H TYR A 87 -2.025 -9.531 5.962 1.00 0.00 H new ATOM 0 HA TYR A 87 0.605 -8.333 5.503 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.534 -9.843 7.872 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.077 -9.157 7.797 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.328 -6.639 7.585 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.426 -8.469 8.420 1.00 0.00 H new ATOM 0 HE1 TYR A 87 0.464 -4.491 8.393 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.291 -6.321 9.236 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.881 -4.173 9.602 1.00 0.00 H new ATOM 1463 N SER A 88 -0.047 -11.546 5.551 1.00 0.00 N ATOM 1464 CA SER A 88 0.466 -12.863 5.267 1.00 0.00 C ATOM 1465 C SER A 88 0.835 -13.034 3.785 1.00 0.00 C ATOM 1466 O SER A 88 1.920 -13.538 3.466 1.00 0.00 O ATOM 1467 CB SER A 88 -0.547 -13.918 5.718 1.00 0.00 C ATOM 1468 OG SER A 88 -0.886 -13.737 7.099 1.00 0.00 O ATOM 0 H SER A 88 -1.036 -11.528 5.799 1.00 0.00 H new ATOM 0 HA SER A 88 1.390 -12.997 5.829 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.446 -13.851 5.106 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.133 -14.915 5.568 1.00 0.00 H new ATOM 0 HG SER A 88 -1.536 -14.419 7.368 1.00 0.00 H new ATOM 1474 N GLU A 89 -0.032 -12.588 2.878 1.00 0.00 N ATOM 1475 CA GLU A 89 0.268 -12.750 1.464 1.00 0.00 C ATOM 1476 C GLU A 89 1.371 -11.807 1.015 1.00 0.00 C ATOM 1477 O GLU A 89 2.136 -12.125 0.098 1.00 0.00 O ATOM 1478 CB GLU A 89 -0.959 -12.621 0.569 1.00 0.00 C ATOM 1479 CG GLU A 89 -1.651 -11.274 0.569 1.00 0.00 C ATOM 1480 CD GLU A 89 -2.683 -11.205 -0.522 1.00 0.00 C ATOM 1481 OE1 GLU A 89 -2.343 -10.791 -1.649 1.00 0.00 O ATOM 1482 OE2 GLU A 89 -3.837 -11.611 -0.303 1.00 0.00 O ATOM 0 H GLU A 89 -0.917 -12.128 3.089 1.00 0.00 H new ATOM 0 HA GLU A 89 0.625 -13.774 1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.662 -12.853 -0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.683 -13.378 0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.125 -11.103 1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.915 -10.482 0.431 1.00 0.00 H new ATOM 1489 N ALA A 90 1.455 -10.664 1.671 1.00 0.00 N ATOM 1490 CA ALA A 90 2.467 -9.668 1.374 1.00 0.00 C ATOM 1491 C ALA A 90 3.858 -10.233 1.595 1.00 0.00 C ATOM 1492 O ALA A 90 4.702 -10.197 0.695 1.00 0.00 O ATOM 1493 CB ALA A 90 2.259 -8.421 2.220 1.00 0.00 C ATOM 0 H ALA A 90 0.822 -10.400 2.426 1.00 0.00 H new ATOM 0 HA ALA A 90 2.372 -9.391 0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.029 -7.687 1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.277 -7.998 2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.322 -8.683 3.276 1.00 0.00 H new