USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 461 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0875 (180deg=-0.0623) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 176:sc= 0.766 (180deg=0.747) USER MOD Single : A 12 THR OG1 : rot -69:sc= 0.211 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -121:sc= -0.0929 (180deg=-1.7!) USER MOD Single : A 29 ASN : amide:sc= -0.15 K(o=-0.15,f=-5.3!) USER MOD Single : A 35 ASN : amide:sc= -0.719 K(o=-0.72,f=-2.2!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0775 X(o=-0.077,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.66 K(o=-1.7,f=-4.7!) USER MOD Single : A 52 TYR OH : rot -16:sc= 1.11 USER MOD Single : B 1 VAL N :NH3+ -154:sc= -0.0617 (180deg=-0.992) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.206 2.857 4.259 1.00 0.00 N ATOM 2 CA MET A 1 8.504 1.543 3.703 1.00 0.00 C ATOM 3 C MET A 1 7.908 1.435 2.298 1.00 0.00 C ATOM 4 O MET A 1 7.103 2.263 1.882 1.00 0.00 O ATOM 5 CB MET A 1 8.097 0.423 4.655 1.00 0.00 C ATOM 6 CG MET A 1 6.632 0.373 4.969 1.00 0.00 C ATOM 7 SD MET A 1 6.321 -0.829 6.273 1.00 0.00 S ATOM 8 CE MET A 1 5.175 0.125 7.282 1.00 0.00 C ATOM 0 H1 MET A 1 7.932 2.757 5.257 1.00 0.00 H new ATOM 0 H2 MET A 1 9.049 3.462 4.190 1.00 0.00 H new ATOM 0 H3 MET A 1 7.425 3.290 3.727 1.00 0.00 H new ATOM 0 HA MET A 1 9.582 1.422 3.594 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.395 -0.531 4.221 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.651 0.536 5.587 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.285 1.358 5.281 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.069 0.105 4.075 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.871 -0.467 8.145 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.663 1.039 7.622 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.296 0.382 6.690 1.00 0.00 H new ATOM 18 N GLU A 2 8.366 0.380 1.584 1.00 0.00 N ATOM 19 CA GLU A 2 7.855 0.167 0.250 1.00 0.00 C ATOM 20 C GLU A 2 6.454 -0.432 0.413 1.00 0.00 C ATOM 21 O GLU A 2 6.091 -0.950 1.461 1.00 0.00 O ATOM 22 CB GLU A 2 8.823 -0.782 -0.479 1.00 0.00 C ATOM 23 CG GLU A 2 8.448 -1.109 -1.931 1.00 0.00 C ATOM 24 CD GLU A 2 8.336 0.147 -2.807 1.00 0.00 C ATOM 25 OE1 GLU A 2 9.284 0.930 -2.833 1.00 0.00 O ATOM 26 OE2 GLU A 2 7.305 0.329 -3.450 1.00 0.00 O ATOM 0 H GLU A 2 9.057 -0.297 1.907 1.00 0.00 H new ATOM 0 HA GLU A 2 7.782 1.080 -0.341 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.818 -0.338 -0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.884 -1.714 0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.197 -1.778 -2.355 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.499 -1.644 -1.946 1.00 0.00 H new ATOM 33 N ALA A 3 5.688 -0.254 -0.664 1.00 0.00 N ATOM 34 CA ALA A 3 4.333 -0.766 -0.751 1.00 0.00 C ATOM 35 C ALA A 3 4.181 -1.272 -2.184 1.00 0.00 C ATOM 36 O ALA A 3 4.589 -0.612 -3.129 1.00 0.00 O ATOM 37 CB ALA A 3 3.369 0.315 -0.276 1.00 0.00 C ATOM 0 H ALA A 3 5.995 0.250 -1.496 1.00 0.00 H new ATOM 0 HA ALA A 3 4.101 -1.608 -0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.346 -0.057 -0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.599 0.579 0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.472 1.197 -0.908 1.00 0.00 H new ATOM 43 N ILE A 4 3.611 -2.485 -2.295 1.00 0.00 N ATOM 44 CA ILE A 4 3.500 -3.095 -3.611 1.00 0.00 C ATOM 45 C ILE A 4 2.200 -3.880 -3.712 1.00 0.00 C ATOM 46 O ILE A 4 1.890 -4.733 -2.893 1.00 0.00 O ATOM 47 CB ILE A 4 4.676 -4.073 -3.814 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.041 -3.403 -3.544 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.641 -4.706 -5.219 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.262 -4.268 -3.878 1.00 0.00 C ATOM 0 H ILE A 4 3.238 -3.034 -1.521 1.00 0.00 H new ATOM 0 HA ILE A 4 3.517 -2.312 -4.369 1.00 0.00 H new ATOM 0 HB ILE A 4 4.556 -4.870 -3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.098 -2.481 -4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.090 -3.122 -2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.482 -5.390 -5.331 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.708 -5.254 -5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.708 -3.922 -5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.173 -3.713 -3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.237 -5.179 -3.280 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.245 -4.528 -4.936 1.00 0.00 H new ATOM 62 N ALA A 5 1.484 -3.529 -4.789 1.00 0.00 N ATOM 63 CA ALA A 5 0.231 -4.187 -5.089 1.00 0.00 C ATOM 64 C ALA A 5 0.492 -5.659 -5.470 1.00 0.00 C ATOM 65 O ALA A 5 1.172 -5.962 -6.440 1.00 0.00 O ATOM 66 CB ALA A 5 -0.379 -3.465 -6.286 1.00 0.00 C ATOM 0 H ALA A 5 1.756 -2.802 -5.451 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.434 -4.160 -4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.329 -3.931 -6.547 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.546 -2.418 -6.033 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.301 -3.529 -7.135 1.00 0.00 H new ATOM 72 N LYS A 6 -0.118 -6.540 -4.662 1.00 0.00 N ATOM 73 CA LYS A 6 0.008 -7.972 -4.914 1.00 0.00 C ATOM 74 C LYS A 6 -1.071 -8.416 -5.898 1.00 0.00 C ATOM 75 O LYS A 6 -0.933 -9.434 -6.565 1.00 0.00 O ATOM 76 CB LYS A 6 -0.246 -8.753 -3.630 1.00 0.00 C ATOM 77 CG LYS A 6 0.925 -8.629 -2.666 1.00 0.00 C ATOM 78 CD LYS A 6 1.141 -9.926 -1.895 1.00 0.00 C ATOM 79 CE LYS A 6 0.097 -10.150 -0.794 1.00 0.00 C ATOM 80 NZ LYS A 6 0.327 -11.395 -0.070 1.00 0.00 N ATOM 0 H LYS A 6 -0.686 -6.290 -3.853 1.00 0.00 H new ATOM 0 HA LYS A 6 1.010 -8.158 -5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.154 -8.385 -3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.414 -9.803 -3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.830 -8.376 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.740 -7.813 -1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.113 -10.765 -2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.135 -9.915 -1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.122 -9.314 -0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.899 -10.166 -1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.400 -11.509 0.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.278 -12.196 -0.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.267 -11.370 0.374 1.00 0.00 H new ATOM 94 N TYR A 7 -2.134 -7.588 -5.921 1.00 0.00 N ATOM 95 CA TYR A 7 -3.279 -7.840 -6.785 1.00 0.00 C ATOM 96 C TYR A 7 -3.825 -6.540 -7.380 1.00 0.00 C ATOM 97 O TYR A 7 -3.417 -5.426 -7.073 1.00 0.00 O ATOM 98 CB TYR A 7 -4.364 -8.547 -5.965 1.00 0.00 C ATOM 99 CG TYR A 7 -3.929 -9.930 -5.582 1.00 0.00 C ATOM 100 CD1 TYR A 7 -4.005 -10.957 -6.514 1.00 0.00 C ATOM 101 CD2 TYR A 7 -3.474 -10.207 -4.301 1.00 0.00 C ATOM 102 CE1 TYR A 7 -3.663 -12.254 -6.168 1.00 0.00 C ATOM 103 CE2 TYR A 7 -3.117 -11.497 -3.939 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.246 -12.544 -4.861 1.00 0.00 C ATOM 105 OH TYR A 7 -2.985 -13.852 -4.476 1.00 0.00 O ATOM 0 H TYR A 7 -2.213 -6.746 -5.350 1.00 0.00 H new ATOM 0 HA TYR A 7 -2.966 -8.471 -7.617 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.582 -7.968 -5.067 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.287 -8.599 -6.543 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -4.334 -10.742 -7.520 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.397 -9.409 -3.578 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.718 -13.042 -6.905 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.740 -11.695 -2.947 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.706 -13.867 -3.537 1.00 0.00 H new ATOM 115 N ASP A 8 -4.783 -6.825 -8.283 1.00 0.00 N ATOM 116 CA ASP A 8 -5.522 -5.827 -9.031 1.00 0.00 C ATOM 117 C ASP A 8 -6.652 -5.311 -8.130 1.00 0.00 C ATOM 118 O ASP A 8 -7.429 -6.085 -7.584 1.00 0.00 O ATOM 119 CB ASP A 8 -6.104 -6.498 -10.289 1.00 0.00 C ATOM 120 CG ASP A 8 -5.010 -7.214 -11.104 1.00 0.00 C ATOM 121 OD1 ASP A 8 -4.219 -6.528 -11.746 1.00 0.00 O ATOM 122 OD2 ASP A 8 -4.958 -8.446 -11.081 1.00 0.00 O ATOM 0 H ASP A 8 -5.060 -7.781 -8.507 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.884 -4.996 -9.333 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.871 -7.216 -9.998 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.590 -5.747 -10.912 1.00 0.00 H new ATOM 127 N PHE A 9 -6.673 -3.969 -8.006 1.00 0.00 N ATOM 128 CA PHE A 9 -7.675 -3.314 -7.175 1.00 0.00 C ATOM 129 C PHE A 9 -8.211 -2.045 -7.843 1.00 0.00 C ATOM 130 O PHE A 9 -7.518 -1.264 -8.479 1.00 0.00 O ATOM 131 CB PHE A 9 -7.086 -2.959 -5.804 1.00 0.00 C ATOM 132 CG PHE A 9 -8.165 -2.752 -4.773 1.00 0.00 C ATOM 133 CD1 PHE A 9 -8.853 -3.856 -4.293 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.506 -1.489 -4.294 1.00 0.00 C ATOM 135 CE1 PHE A 9 -9.850 -3.714 -3.350 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.518 -1.345 -3.345 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.194 -2.461 -2.871 1.00 0.00 C ATOM 0 H PHE A 9 -6.017 -3.337 -8.465 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.501 -4.013 -7.046 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.418 -3.756 -5.477 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.485 -2.054 -5.889 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.605 -4.840 -4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.984 -0.617 -4.659 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.367 -4.588 -2.982 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.776 -0.363 -2.978 1.00 0.00 H new ATOM 0 HZ PHE A 9 -10.979 -2.353 -2.137 1.00 0.00 H new ATOM 147 N LYS A 10 -9.518 -1.915 -7.602 1.00 0.00 N ATOM 148 CA LYS A 10 -10.301 -0.801 -8.081 1.00 0.00 C ATOM 149 C LYS A 10 -11.085 -0.261 -6.872 1.00 0.00 C ATOM 150 O LYS A 10 -12.075 -0.859 -6.470 1.00 0.00 O ATOM 151 CB LYS A 10 -11.235 -1.343 -9.176 1.00 0.00 C ATOM 152 CG LYS A 10 -12.312 -0.350 -9.619 1.00 0.00 C ATOM 153 CD LYS A 10 -11.759 0.805 -10.462 1.00 0.00 C ATOM 154 CE LYS A 10 -12.656 2.046 -10.442 1.00 0.00 C ATOM 155 NZ LYS A 10 -12.653 2.714 -9.145 1.00 0.00 N ATOM 0 H LYS A 10 -10.056 -2.593 -7.063 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.702 0.005 -8.504 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.637 -1.626 -10.042 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.718 -2.250 -8.812 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.071 -0.880 -10.194 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.807 0.057 -8.737 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.769 1.074 -10.094 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.636 0.469 -11.492 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.321 2.745 -11.208 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.676 1.758 -10.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.220 3.584 -9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.061 2.081 -8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.676 2.954 -8.880 1.00 0.00 H new ATOM 169 N ALA A 11 -10.591 0.863 -6.291 1.00 0.00 N ATOM 170 CA ALA A 11 -11.307 1.436 -5.142 1.00 0.00 C ATOM 171 C ALA A 11 -12.785 1.690 -5.433 1.00 0.00 C ATOM 172 O ALA A 11 -13.237 1.848 -6.562 1.00 0.00 O ATOM 173 CB ALA A 11 -10.743 2.762 -4.631 1.00 0.00 C ATOM 0 H ALA A 11 -9.750 1.360 -6.583 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.174 0.667 -4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.335 3.107 -3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.709 2.621 -4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.782 3.505 -5.427 1.00 0.00 H new ATOM 179 N THR A 12 -13.472 1.737 -4.289 1.00 0.00 N ATOM 180 CA THR A 12 -14.883 2.070 -4.270 1.00 0.00 C ATOM 181 C THR A 12 -14.952 3.615 -4.216 1.00 0.00 C ATOM 182 O THR A 12 -15.888 4.255 -4.675 1.00 0.00 O ATOM 183 CB THR A 12 -15.631 1.403 -3.079 1.00 0.00 C ATOM 184 OG1 THR A 12 -16.672 2.199 -2.433 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.633 0.714 -2.114 1.00 0.00 C ATOM 0 H THR A 12 -13.069 1.548 -3.371 1.00 0.00 H new ATOM 0 HA THR A 12 -15.388 1.687 -5.157 1.00 0.00 H new ATOM 0 HB THR A 12 -16.243 0.618 -3.524 1.00 0.00 H new ATOM 0 HG1 THR A 12 -16.261 2.950 -1.956 1.00 0.00 H new ATOM 0 HG21 THR A 12 -15.181 0.256 -1.291 1.00 0.00 H new ATOM 0 HG22 THR A 12 -14.078 -0.054 -2.652 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.938 1.455 -1.719 1.00 0.00 H new ATOM 193 N ALA A 13 -13.832 4.135 -3.659 1.00 0.00 N ATOM 194 CA ALA A 13 -13.533 5.534 -3.431 1.00 0.00 C ATOM 195 C ALA A 13 -14.513 6.157 -2.449 1.00 0.00 C ATOM 196 O ALA A 13 -15.447 6.892 -2.746 1.00 0.00 O ATOM 197 CB ALA A 13 -13.357 6.330 -4.710 1.00 0.00 C ATOM 0 H ALA A 13 -13.074 3.531 -3.342 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.552 5.576 -2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.135 7.369 -4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.534 5.911 -5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.275 6.284 -5.297 1.00 0.00 H new ATOM 203 N ASP A 14 -14.108 5.768 -1.241 1.00 0.00 N ATOM 204 CA ASP A 14 -14.677 6.100 0.039 1.00 0.00 C ATOM 205 C ASP A 14 -13.578 6.743 0.906 1.00 0.00 C ATOM 206 O ASP A 14 -13.758 6.918 2.105 1.00 0.00 O ATOM 207 CB ASP A 14 -15.076 4.741 0.638 1.00 0.00 C ATOM 208 CG ASP A 14 -16.545 4.379 0.354 1.00 0.00 C ATOM 209 OD1 ASP A 14 -17.003 4.580 -0.770 1.00 0.00 O ATOM 210 OD2 ASP A 14 -17.218 3.908 1.273 1.00 0.00 O ATOM 0 H ASP A 14 -13.298 5.157 -1.138 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.518 6.790 -0.024 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.429 3.964 0.231 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.912 4.760 1.715 1.00 0.00 H new ATOM 215 N ASP A 15 -12.464 7.071 0.194 1.00 0.00 N ATOM 216 CA ASP A 15 -11.178 7.620 0.648 1.00 0.00 C ATOM 217 C ASP A 15 -10.029 6.744 0.101 1.00 0.00 C ATOM 218 O ASP A 15 -8.851 7.012 0.302 1.00 0.00 O ATOM 219 CB ASP A 15 -11.074 7.724 2.174 1.00 0.00 C ATOM 220 CG ASP A 15 -11.089 6.402 2.983 1.00 0.00 C ATOM 221 OD1 ASP A 15 -11.142 5.322 2.400 1.00 0.00 O ATOM 222 OD2 ASP A 15 -11.046 6.479 4.209 1.00 0.00 O ATOM 0 H ASP A 15 -12.456 6.939 -0.817 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.104 8.636 0.261 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.152 8.254 2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.899 8.343 2.526 1.00 0.00 H new ATOM 227 N GLU A 16 -10.479 5.710 -0.639 1.00 0.00 N ATOM 228 CA GLU A 16 -9.602 4.709 -1.230 1.00 0.00 C ATOM 229 C GLU A 16 -9.298 5.043 -2.694 1.00 0.00 C ATOM 230 O GLU A 16 -10.057 5.697 -3.402 1.00 0.00 O ATOM 231 CB GLU A 16 -10.358 3.365 -1.263 1.00 0.00 C ATOM 232 CG GLU A 16 -10.448 2.658 0.085 1.00 0.00 C ATOM 233 CD GLU A 16 -11.422 1.458 0.009 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.304 0.663 -0.927 1.00 0.00 O ATOM 235 OE2 GLU A 16 -12.289 1.328 0.872 1.00 0.00 O ATOM 0 H GLU A 16 -11.468 5.556 -0.837 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.684 4.674 -0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.367 3.539 -1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.865 2.702 -1.975 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.459 2.312 0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.786 3.360 0.847 1.00 0.00 H new ATOM 242 N LEU A 17 -8.129 4.490 -3.081 1.00 0.00 N ATOM 243 CA LEU A 17 -7.622 4.628 -4.460 1.00 0.00 C ATOM 244 C LEU A 17 -7.176 3.273 -5.018 1.00 0.00 C ATOM 245 O LEU A 17 -6.871 2.313 -4.321 1.00 0.00 O ATOM 246 CB LEU A 17 -6.587 5.752 -4.631 1.00 0.00 C ATOM 247 CG LEU A 17 -5.241 5.568 -3.906 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.183 4.850 -4.755 1.00 0.00 C ATOM 249 CD2 LEU A 17 -4.666 6.931 -3.541 1.00 0.00 C ATOM 0 H LEU A 17 -7.524 3.949 -2.463 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.457 4.960 -5.077 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.387 5.871 -5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.036 6.683 -4.285 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.456 4.957 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.260 4.755 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.546 3.859 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.990 5.426 -5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.713 6.799 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.511 7.515 -4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.361 7.455 -2.886 1.00 0.00 H new ATOM 261 N SER A 18 -7.197 3.315 -6.359 1.00 0.00 N ATOM 262 CA SER A 18 -6.908 2.180 -7.209 1.00 0.00 C ATOM 263 C SER A 18 -5.402 2.029 -7.483 1.00 0.00 C ATOM 264 O SER A 18 -4.618 2.968 -7.450 1.00 0.00 O ATOM 265 CB SER A 18 -7.620 2.493 -8.557 1.00 0.00 C ATOM 266 OG SER A 18 -9.085 2.762 -8.603 1.00 0.00 O ATOM 0 H SER A 18 -7.421 4.162 -6.881 1.00 0.00 H new ATOM 0 HA SER A 18 -7.243 1.258 -6.734 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.122 3.361 -8.988 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.428 1.652 -9.223 1.00 0.00 H new ATOM 0 HG SER A 18 -9.356 2.940 -9.528 1.00 0.00 H new ATOM 272 N PHE A 19 -5.109 0.750 -7.780 1.00 0.00 N ATOM 273 CA PHE A 19 -3.782 0.260 -8.117 1.00 0.00 C ATOM 274 C PHE A 19 -3.978 -1.063 -8.835 1.00 0.00 C ATOM 275 O PHE A 19 -4.899 -1.816 -8.557 1.00 0.00 O ATOM 276 CB PHE A 19 -2.870 0.031 -6.901 1.00 0.00 C ATOM 277 CG PHE A 19 -3.499 -0.790 -5.803 1.00 0.00 C ATOM 278 CD1 PHE A 19 -3.385 -2.176 -5.798 1.00 0.00 C ATOM 279 CD2 PHE A 19 -4.189 -0.173 -4.765 1.00 0.00 C ATOM 280 CE1 PHE A 19 -3.913 -2.934 -4.763 1.00 0.00 C ATOM 281 CE2 PHE A 19 -4.738 -0.929 -3.737 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.592 -2.309 -3.728 1.00 0.00 C ATOM 0 H PHE A 19 -5.817 0.016 -7.789 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.286 1.016 -8.725 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.958 -0.465 -7.233 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.577 0.998 -6.494 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.877 -2.670 -6.613 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.299 0.901 -4.758 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.796 -4.008 -4.763 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.281 -0.441 -2.941 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.005 -2.893 -2.919 1.00 0.00 H new ATOM 292 N LYS A 20 -3.048 -1.280 -9.772 1.00 0.00 N ATOM 293 CA LYS A 20 -3.035 -2.488 -10.568 1.00 0.00 C ATOM 294 C LYS A 20 -1.888 -3.334 -10.030 1.00 0.00 C ATOM 295 O LYS A 20 -0.897 -2.815 -9.535 1.00 0.00 O ATOM 296 CB LYS A 20 -2.772 -2.107 -12.032 1.00 0.00 C ATOM 297 CG LYS A 20 -3.863 -1.194 -12.622 1.00 0.00 C ATOM 298 CD LYS A 20 -3.326 -0.247 -13.705 1.00 0.00 C ATOM 299 CE LYS A 20 -2.460 0.880 -13.123 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.004 1.820 -14.144 1.00 0.00 N ATOM 0 H LYS A 20 -2.297 -0.625 -9.990 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.978 -3.032 -10.516 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.808 -1.604 -12.103 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.703 -3.015 -12.631 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.656 -1.810 -13.046 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.310 -0.606 -11.821 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.739 -0.818 -14.424 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.163 0.187 -14.251 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.031 1.419 -12.367 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.595 0.447 -12.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.424 2.560 -13.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.436 1.314 -14.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.827 2.256 -14.607 1.00 0.00 H new ATOM 314 N ARG A 21 -2.104 -4.655 -10.126 1.00 0.00 N ATOM 315 CA ARG A 21 -1.092 -5.613 -9.689 1.00 0.00 C ATOM 316 C ARG A 21 0.323 -5.260 -10.211 1.00 0.00 C ATOM 317 O ARG A 21 0.630 -5.362 -11.394 1.00 0.00 O ATOM 318 CB ARG A 21 -1.505 -7.003 -10.164 1.00 0.00 C ATOM 319 CG ARG A 21 -0.417 -8.049 -9.908 1.00 0.00 C ATOM 320 CD ARG A 21 -0.978 -9.444 -9.714 1.00 0.00 C ATOM 321 NE ARG A 21 -1.971 -9.763 -10.733 1.00 0.00 N ATOM 322 CZ ARG A 21 -2.581 -10.962 -10.766 1.00 0.00 C ATOM 323 NH1 ARG A 21 -2.238 -11.920 -9.913 1.00 0.00 N ATOM 324 NH2 ARG A 21 -3.543 -11.183 -11.651 1.00 0.00 N ATOM 0 H ARG A 21 -2.957 -5.073 -10.497 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.034 -5.582 -8.601 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.421 -7.302 -9.654 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.730 -6.969 -11.230 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.279 -8.056 -10.747 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.153 -7.765 -9.023 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.168 -10.172 -9.752 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.430 -9.522 -8.725 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.208 -9.063 -11.436 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.505 -11.751 -9.224 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.707 -12.825 -9.947 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.817 -10.446 -12.301 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.010 -12.090 -11.681 1.00 0.00 H new ATOM 338 N GLY A 22 1.137 -4.854 -9.220 1.00 0.00 N ATOM 339 CA GLY A 22 2.523 -4.475 -9.426 1.00 0.00 C ATOM 340 C GLY A 22 2.798 -2.973 -9.298 1.00 0.00 C ATOM 341 O GLY A 22 3.896 -2.549 -9.638 1.00 0.00 O ATOM 0 H GLY A 22 0.836 -4.783 -8.248 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.143 -5.008 -8.705 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.833 -4.805 -10.418 1.00 0.00 H new ATOM 345 N ASP A 23 1.806 -2.169 -8.810 1.00 0.00 N ATOM 346 CA ASP A 23 2.115 -0.750 -8.700 1.00 0.00 C ATOM 347 C ASP A 23 3.129 -0.535 -7.566 1.00 0.00 C ATOM 348 O ASP A 23 3.263 -1.344 -6.655 1.00 0.00 O ATOM 349 CB ASP A 23 0.853 0.106 -8.461 1.00 0.00 C ATOM 350 CG ASP A 23 -0.044 0.292 -9.705 1.00 0.00 C ATOM 351 OD1 ASP A 23 0.162 -0.368 -10.722 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.944 1.130 -9.648 1.00 0.00 O ATOM 0 H ASP A 23 0.874 -2.462 -8.516 1.00 0.00 H new ATOM 0 HA ASP A 23 2.544 -0.425 -9.648 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.262 -0.355 -7.669 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.159 1.088 -8.100 1.00 0.00 H new ATOM 357 N ILE A 24 3.836 0.604 -7.709 1.00 0.00 N ATOM 358 CA ILE A 24 4.843 1.030 -6.743 1.00 0.00 C ATOM 359 C ILE A 24 4.197 2.151 -5.917 1.00 0.00 C ATOM 360 O ILE A 24 3.925 3.242 -6.402 1.00 0.00 O ATOM 361 CB ILE A 24 6.122 1.478 -7.474 1.00 0.00 C ATOM 362 CG1 ILE A 24 6.670 0.366 -8.394 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.214 1.962 -6.507 1.00 0.00 C ATOM 364 CD1 ILE A 24 6.880 -0.989 -7.703 1.00 0.00 C ATOM 0 H ILE A 24 3.719 1.244 -8.495 1.00 0.00 H new ATOM 0 HA ILE A 24 5.154 0.222 -6.080 1.00 0.00 H new ATOM 0 HB ILE A 24 5.835 2.328 -8.094 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.982 0.231 -9.228 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.620 0.696 -8.815 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.094 2.266 -7.074 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.842 2.810 -5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.482 1.153 -5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.267 -1.709 -8.424 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.593 -0.874 -6.887 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.930 -1.347 -7.307 1.00 0.00 H new ATOM 376 N LEU A 25 3.957 1.773 -4.645 1.00 0.00 N ATOM 377 CA LEU A 25 3.307 2.623 -3.660 1.00 0.00 C ATOM 378 C LEU A 25 4.303 3.061 -2.603 1.00 0.00 C ATOM 379 O LEU A 25 5.409 2.551 -2.476 1.00 0.00 O ATOM 380 CB LEU A 25 2.200 1.809 -2.964 1.00 0.00 C ATOM 381 CG LEU A 25 1.146 1.295 -3.941 1.00 0.00 C ATOM 382 CD1 LEU A 25 1.403 -0.169 -4.331 1.00 0.00 C ATOM 383 CD2 LEU A 25 -0.272 1.426 -3.397 1.00 0.00 C ATOM 0 H LEU A 25 4.217 0.856 -4.281 1.00 0.00 H new ATOM 0 HA LEU A 25 2.898 3.500 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.649 0.964 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.718 2.430 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 25 1.232 1.926 -4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.633 -0.501 -5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.381 -0.253 -4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.378 -0.793 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.981 1.046 -4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.363 0.852 -2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.488 2.475 -3.194 1.00 0.00 H new ATOM 395 N LYS A 26 3.778 4.028 -1.837 1.00 0.00 N ATOM 396 CA LYS A 26 4.553 4.579 -0.732 1.00 0.00 C ATOM 397 C LYS A 26 3.661 4.731 0.495 1.00 0.00 C ATOM 398 O LYS A 26 2.832 5.619 0.565 1.00 0.00 O ATOM 399 CB LYS A 26 5.318 5.829 -1.182 1.00 0.00 C ATOM 400 CG LYS A 26 6.118 6.495 -0.056 1.00 0.00 C ATOM 401 CD LYS A 26 5.453 7.789 0.409 1.00 0.00 C ATOM 402 CE LYS A 26 6.169 8.437 1.589 1.00 0.00 C ATOM 403 NZ LYS A 26 5.545 9.712 1.920 1.00 0.00 N ATOM 0 H LYS A 26 2.849 4.430 -1.961 1.00 0.00 H new ATOM 0 HA LYS A 26 5.341 3.894 -0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.999 5.558 -1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.611 6.551 -1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.207 5.807 0.785 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.129 6.708 -0.403 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.422 8.494 -0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.420 7.580 0.688 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.136 7.773 2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.220 8.591 1.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.249 10.474 1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.761 9.896 1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.179 9.677 2.893 1.00 0.00 H new ATOM 417 N VAL A 27 3.921 3.865 1.499 1.00 0.00 N ATOM 418 CA VAL A 27 3.111 3.811 2.676 1.00 0.00 C ATOM 419 C VAL A 27 3.661 4.779 3.723 1.00 0.00 C ATOM 420 O VAL A 27 4.747 4.641 4.267 1.00 0.00 O ATOM 421 CB VAL A 27 3.087 2.342 3.114 1.00 0.00 C ATOM 422 CG1 VAL A 27 1.921 1.601 2.443 1.00 0.00 C ATOM 423 CG2 VAL A 27 4.410 1.559 2.958 1.00 0.00 C ATOM 0 H VAL A 27 4.696 3.202 1.491 1.00 0.00 H new ATOM 0 HA VAL A 27 2.084 4.135 2.510 1.00 0.00 H new ATOM 0 HB VAL A 27 2.939 2.383 4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.918 0.560 2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.979 2.071 2.727 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.036 1.646 1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.269 0.534 3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.708 1.554 1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.188 2.036 3.554 1.00 0.00 H new ATOM 433 N LEU A 28 2.762 5.759 3.943 1.00 0.00 N ATOM 434 CA LEU A 28 2.978 6.888 4.830 1.00 0.00 C ATOM 435 C LEU A 28 2.495 6.594 6.272 1.00 0.00 C ATOM 436 O LEU A 28 3.146 6.997 7.228 1.00 0.00 O ATOM 437 CB LEU A 28 2.251 8.070 4.147 1.00 0.00 C ATOM 438 CG LEU A 28 2.645 9.470 4.656 1.00 0.00 C ATOM 439 CD1 LEU A 28 2.472 10.522 3.550 1.00 0.00 C ATOM 440 CD2 LEU A 28 1.824 9.893 5.882 1.00 0.00 C ATOM 0 H LEU A 28 1.848 5.775 3.491 1.00 0.00 H new ATOM 0 HA LEU A 28 4.034 7.119 4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.445 8.024 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.177 7.941 4.283 1.00 0.00 H new ATOM 0 HG LEU A 28 3.693 9.410 4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.756 11.502 3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.107 10.266 2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.430 10.545 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.137 10.886 6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.766 9.913 5.622 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.985 9.181 6.691 1.00 0.00 H new ATOM 452 N ASN A 29 1.348 5.873 6.390 1.00 0.00 N ATOM 453 CA ASN A 29 0.836 5.559 7.736 1.00 0.00 C ATOM 454 C ASN A 29 -0.244 4.447 7.723 1.00 0.00 C ATOM 455 O ASN A 29 -0.822 4.096 6.701 1.00 0.00 O ATOM 456 CB ASN A 29 0.296 6.835 8.419 1.00 0.00 C ATOM 457 CG ASN A 29 -0.886 7.446 7.655 1.00 0.00 C ATOM 458 OD1 ASN A 29 -0.716 8.186 6.696 1.00 0.00 O ATOM 459 ND2 ASN A 29 -2.086 7.094 8.141 1.00 0.00 N ATOM 0 H ASN A 29 0.792 5.518 5.612 1.00 0.00 H new ATOM 0 HA ASN A 29 1.676 5.172 8.312 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.015 6.597 9.436 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.097 7.571 8.495 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.937 7.449 7.705 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.147 6.471 8.946 1.00 0.00 H new ATOM 536 N ASN A 35 -6.119 -3.474 8.620 1.00 0.00 N ATOM 537 CA ASN A 35 -6.871 -3.859 7.443 1.00 0.00 C ATOM 538 C ASN A 35 -6.665 -2.838 6.309 1.00 0.00 C ATOM 539 O ASN A 35 -6.827 -3.189 5.149 1.00 0.00 O ATOM 540 CB ASN A 35 -8.368 -3.941 7.786 1.00 0.00 C ATOM 541 CG ASN A 35 -8.789 -5.328 8.273 1.00 0.00 C ATOM 542 OD1 ASN A 35 -8.184 -6.343 7.955 1.00 0.00 O ATOM 543 ND2 ASN A 35 -9.896 -5.307 9.032 1.00 0.00 N ATOM 0 HA ASN A 35 -6.514 -4.834 7.110 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.601 -3.205 8.555 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.953 -3.677 6.905 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.288 -6.179 9.386 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.345 -4.419 9.255 1.00 0.00 H new ATOM 550 N TRP A 36 -6.300 -1.581 6.679 1.00 0.00 N ATOM 551 CA TRP A 36 -6.097 -0.532 5.681 1.00 0.00 C ATOM 552 C TRP A 36 -4.839 0.299 5.992 1.00 0.00 C ATOM 553 O TRP A 36 -4.519 0.598 7.132 1.00 0.00 O ATOM 554 CB TRP A 36 -7.318 0.408 5.687 1.00 0.00 C ATOM 555 CG TRP A 36 -8.555 -0.370 5.296 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.389 -1.104 6.150 1.00 0.00 C ATOM 557 CD2 TRP A 36 -9.052 -0.576 3.958 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.328 -1.740 5.414 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.159 -1.447 4.070 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.660 -0.117 2.729 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.828 -1.837 2.947 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.351 -0.514 1.582 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.436 -1.378 1.693 1.00 0.00 C ATOM 0 H TRP A 36 -6.147 -1.288 7.644 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.972 -1.006 4.707 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.448 0.846 6.677 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.159 1.233 4.992 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.296 -1.154 7.225 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -11.055 -2.347 5.793 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.816 0.552 2.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.670 -2.508 3.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.044 -0.152 0.612 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -10.972 -1.691 0.809 1.00 0.00 H new ATOM 574 N TYR A 37 -4.146 0.622 4.884 1.00 0.00 N ATOM 575 CA TYR A 37 -2.949 1.461 4.872 1.00 0.00 C ATOM 576 C TYR A 37 -3.413 2.803 4.307 1.00 0.00 C ATOM 577 O TYR A 37 -4.545 2.941 3.878 1.00 0.00 O ATOM 578 CB TYR A 37 -1.943 0.939 3.824 1.00 0.00 C ATOM 579 CG TYR A 37 -1.143 -0.248 4.253 1.00 0.00 C ATOM 580 CD1 TYR A 37 -0.439 -0.210 5.442 1.00 0.00 C ATOM 581 CD2 TYR A 37 -1.073 -1.378 3.448 1.00 0.00 C ATOM 582 CE1 TYR A 37 0.315 -1.296 5.847 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.317 -2.473 3.834 1.00 0.00 C ATOM 584 CZ TYR A 37 0.368 -2.448 5.054 1.00 0.00 C ATOM 585 OH TYR A 37 1.093 -3.558 5.466 1.00 0.00 O ATOM 0 H TYR A 37 -4.415 0.296 3.956 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.500 1.493 5.865 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.488 0.682 2.916 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.258 1.746 3.567 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.478 0.675 6.060 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.613 -1.403 2.513 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.864 -1.255 6.776 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.257 -3.342 3.196 1.00 0.00 H new ATOM 0 HH TYR A 37 1.018 -4.266 4.793 1.00 0.00 H new ATOM 595 N LYS A 38 -2.468 3.753 4.313 1.00 0.00 N ATOM 596 CA LYS A 38 -2.663 5.074 3.732 1.00 0.00 C ATOM 597 C LYS A 38 -1.362 5.338 2.956 1.00 0.00 C ATOM 598 O LYS A 38 -0.396 5.859 3.502 1.00 0.00 O ATOM 599 CB LYS A 38 -2.955 6.129 4.803 1.00 0.00 C ATOM 600 CG LYS A 38 -3.383 7.460 4.191 1.00 0.00 C ATOM 601 CD LYS A 38 -3.877 8.429 5.263 1.00 0.00 C ATOM 602 CE LYS A 38 -4.382 9.731 4.651 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.771 10.713 5.660 1.00 0.00 N ATOM 0 H LYS A 38 -1.545 3.619 4.725 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.533 5.125 3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.740 5.765 5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.066 6.280 5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.543 7.903 3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.173 7.289 3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.677 7.961 5.837 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.068 8.644 5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.604 10.156 4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.236 9.519 4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.106 11.579 5.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.533 10.321 6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.951 10.939 6.259 1.00 0.00 H new ATOM 617 N ALA A 39 -1.380 4.910 1.669 1.00 0.00 N ATOM 618 CA ALA A 39 -0.185 5.041 0.834 1.00 0.00 C ATOM 619 C ALA A 39 -0.310 6.166 -0.184 1.00 0.00 C ATOM 620 O ALA A 39 -1.270 6.926 -0.176 1.00 0.00 O ATOM 621 CB ALA A 39 0.080 3.698 0.141 1.00 0.00 C ATOM 0 H ALA A 39 -2.186 4.486 1.209 1.00 0.00 H new ATOM 0 HA ALA A 39 0.658 5.303 1.473 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.968 3.781 -0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.237 2.925 0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.777 3.433 -0.478 1.00 0.00 H new ATOM 627 N GLU A 40 0.710 6.192 -1.076 1.00 0.00 N ATOM 628 CA GLU A 40 0.747 7.210 -2.111 1.00 0.00 C ATOM 629 C GLU A 40 1.001 6.543 -3.471 1.00 0.00 C ATOM 630 O GLU A 40 1.869 5.696 -3.632 1.00 0.00 O ATOM 631 CB GLU A 40 1.843 8.232 -1.755 1.00 0.00 C ATOM 632 CG GLU A 40 1.960 9.358 -2.802 1.00 0.00 C ATOM 633 CD GLU A 40 2.992 10.430 -2.414 1.00 0.00 C ATOM 634 OE1 GLU A 40 4.063 10.073 -1.922 1.00 0.00 O ATOM 635 OE2 GLU A 40 2.718 11.614 -2.612 1.00 0.00 O ATOM 0 H GLU A 40 1.489 5.533 -1.088 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.205 7.737 -2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.626 8.668 -0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.801 7.719 -1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.236 8.926 -3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.986 9.829 -2.932 1.00 0.00 H new ATOM 642 N LEU A 41 0.186 7.027 -4.425 1.00 0.00 N ATOM 643 CA LEU A 41 0.224 6.575 -5.807 1.00 0.00 C ATOM 644 C LEU A 41 -0.404 7.531 -6.776 1.00 0.00 C ATOM 645 O LEU A 41 -1.513 8.017 -6.604 1.00 0.00 O ATOM 646 CB LEU A 41 -0.693 5.360 -6.046 1.00 0.00 C ATOM 647 CG LEU A 41 -0.066 4.004 -5.852 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.195 2.988 -5.934 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.890 3.762 -7.021 1.00 0.00 C ATOM 0 H LEU A 41 -0.516 7.745 -4.248 1.00 0.00 H new ATOM 0 HA LEU A 41 1.291 6.411 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.549 5.440 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.078 5.417 -7.064 1.00 0.00 H new ATOM 0 HG LEU A 41 0.468 3.930 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.792 1.984 -5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.927 3.193 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.677 3.057 -6.909 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.361 2.786 -6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.334 3.792 -7.958 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.657 4.536 -7.030 1.00 0.00 H new ATOM 661 N ASN A 42 0.376 7.666 -7.869 1.00 0.00 N ATOM 662 CA ASN A 42 -0.128 8.405 -9.008 1.00 0.00 C ATOM 663 C ASN A 42 -0.539 9.858 -8.664 1.00 0.00 C ATOM 664 O ASN A 42 -1.459 10.422 -9.242 1.00 0.00 O ATOM 665 CB ASN A 42 -1.274 7.481 -9.512 1.00 0.00 C ATOM 666 CG ASN A 42 -1.239 7.200 -11.008 1.00 0.00 C ATOM 667 OD1 ASN A 42 -1.349 8.076 -11.854 1.00 0.00 O ATOM 668 ND2 ASN A 42 -1.062 5.887 -11.249 1.00 0.00 N ATOM 0 H ASN A 42 1.316 7.285 -7.972 1.00 0.00 H new ATOM 0 HA ASN A 42 0.614 8.593 -9.784 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.224 6.534 -8.975 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.231 7.939 -9.262 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.009 5.547 -12.209 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.981 5.232 -10.471 1.00 0.00 H new ATOM 675 N GLY A 43 0.204 10.398 -7.669 1.00 0.00 N ATOM 676 CA GLY A 43 -0.016 11.756 -7.178 1.00 0.00 C ATOM 677 C GLY A 43 -1.260 11.907 -6.285 1.00 0.00 C ATOM 678 O GLY A 43 -1.725 13.015 -6.045 1.00 0.00 O ATOM 0 H GLY A 43 0.960 9.902 -7.197 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.862 12.075 -6.616 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.110 12.428 -8.031 1.00 0.00 H new ATOM 682 N LYS A 44 -1.777 10.747 -5.816 1.00 0.00 N ATOM 683 CA LYS A 44 -2.957 10.697 -4.969 1.00 0.00 C ATOM 684 C LYS A 44 -2.705 9.722 -3.812 1.00 0.00 C ATOM 685 O LYS A 44 -2.255 8.604 -4.014 1.00 0.00 O ATOM 686 CB LYS A 44 -4.131 10.173 -5.811 1.00 0.00 C ATOM 687 CG LYS A 44 -4.520 11.111 -6.963 1.00 0.00 C ATOM 688 CD LYS A 44 -5.694 10.573 -7.791 1.00 0.00 C ATOM 689 CE LYS A 44 -7.033 10.617 -7.047 1.00 0.00 C ATOM 690 NZ LYS A 44 -8.121 10.105 -7.876 1.00 0.00 N ATOM 0 H LYS A 44 -1.378 9.831 -6.022 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.180 11.688 -4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.869 9.197 -6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.996 10.026 -5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.784 12.088 -6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.658 11.258 -7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.778 11.154 -8.710 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.482 9.544 -8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.962 10.028 -6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.252 11.642 -6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.013 10.148 -7.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.203 10.683 -8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.922 9.119 -8.139 1.00 0.00 H new ATOM 704 N ASP A 45 -3.016 10.216 -2.598 1.00 0.00 N ATOM 705 CA ASP A 45 -2.892 9.427 -1.379 1.00 0.00 C ATOM 706 C ASP A 45 -4.298 8.879 -1.053 1.00 0.00 C ATOM 707 O ASP A 45 -5.312 9.515 -1.319 1.00 0.00 O ATOM 708 CB ASP A 45 -2.286 10.268 -0.240 1.00 0.00 C ATOM 709 CG ASP A 45 -3.148 11.491 0.137 1.00 0.00 C ATOM 710 OD1 ASP A 45 -3.204 12.435 -0.650 1.00 0.00 O ATOM 711 OD2 ASP A 45 -3.747 11.489 1.213 1.00 0.00 O ATOM 0 H ASP A 45 -3.356 11.165 -2.446 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.205 8.591 -1.509 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.157 9.637 0.640 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.294 10.608 -0.536 1.00 0.00 H new ATOM 716 N GLY A 46 -4.292 7.661 -0.487 1.00 0.00 N ATOM 717 CA GLY A 46 -5.568 7.014 -0.176 1.00 0.00 C ATOM 718 C GLY A 46 -5.377 5.665 0.487 1.00 0.00 C ATOM 719 O GLY A 46 -4.278 5.126 0.561 1.00 0.00 O ATOM 0 H GLY A 46 -3.457 7.128 -0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.151 7.660 0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.143 6.888 -1.093 1.00 0.00 H new ATOM 723 N PHE A 47 -6.537 5.156 0.951 1.00 0.00 N ATOM 724 CA PHE A 47 -6.541 3.865 1.616 1.00 0.00 C ATOM 725 C PHE A 47 -6.534 2.721 0.594 1.00 0.00 C ATOM 726 O PHE A 47 -7.113 2.779 -0.484 1.00 0.00 O ATOM 727 CB PHE A 47 -7.704 3.755 2.607 1.00 0.00 C ATOM 728 CG PHE A 47 -7.546 4.737 3.741 1.00 0.00 C ATOM 729 CD1 PHE A 47 -7.905 6.070 3.585 1.00 0.00 C ATOM 730 CD2 PHE A 47 -7.030 4.329 4.969 1.00 0.00 C ATOM 731 CE1 PHE A 47 -7.754 6.977 4.624 1.00 0.00 C ATOM 732 CE2 PHE A 47 -6.881 5.229 6.014 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.243 6.556 5.843 1.00 0.00 C ATOM 0 H PHE A 47 -7.447 5.611 0.875 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.624 3.778 2.198 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.645 3.940 2.090 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.753 2.741 3.004 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.308 6.405 2.641 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.742 3.298 5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.034 8.011 4.484 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.483 4.896 6.961 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.128 7.259 6.655 1.00 0.00 H new ATOM 743 N ILE A 48 -5.787 1.690 1.030 1.00 0.00 N ATOM 744 CA ILE A 48 -5.600 0.465 0.267 1.00 0.00 C ATOM 745 C ILE A 48 -5.649 -0.688 1.291 1.00 0.00 C ATOM 746 O ILE A 48 -5.156 -0.526 2.399 1.00 0.00 O ATOM 747 CB ILE A 48 -4.259 0.533 -0.500 1.00 0.00 C ATOM 748 CG1 ILE A 48 -3.057 0.644 0.454 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.260 1.689 -1.517 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.706 0.739 -0.246 1.00 0.00 C ATOM 0 H ILE A 48 -5.299 1.694 1.926 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.371 0.314 -0.488 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.155 -0.404 -1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.189 1.523 1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.051 -0.223 1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.305 1.713 -2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.065 1.540 -2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.410 2.633 -0.994 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.914 0.814 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.548 -0.151 -0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.688 1.622 -0.884 1.00 0.00 H new ATOM 762 N PRO A 49 -6.258 -1.851 0.933 1.00 0.00 N ATOM 763 CA PRO A 49 -6.340 -2.980 1.860 1.00 0.00 C ATOM 764 C PRO A 49 -4.986 -3.673 2.071 1.00 0.00 C ATOM 765 O PRO A 49 -4.214 -3.822 1.133 1.00 0.00 O ATOM 766 CB PRO A 49 -7.343 -3.952 1.235 1.00 0.00 C ATOM 767 CG PRO A 49 -7.709 -3.395 -0.144 1.00 0.00 C ATOM 768 CD PRO A 49 -6.900 -2.115 -0.352 1.00 0.00 C ATOM 0 HA PRO A 49 -6.648 -2.636 2.847 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.910 -4.948 1.146 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.231 -4.045 1.861 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.483 -4.122 -0.924 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.777 -3.187 -0.202 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.160 -2.241 -1.142 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.544 -1.287 -0.647 1.00 0.00 H new ATOM 776 N LYS A 50 -4.755 -4.128 3.326 1.00 0.00 N ATOM 777 CA LYS A 50 -3.480 -4.790 3.605 1.00 0.00 C ATOM 778 C LYS A 50 -3.402 -6.178 2.959 1.00 0.00 C ATOM 779 O LYS A 50 -2.318 -6.643 2.636 1.00 0.00 O ATOM 780 CB LYS A 50 -3.332 -4.945 5.120 1.00 0.00 C ATOM 781 CG LYS A 50 -3.271 -3.585 5.799 1.00 0.00 C ATOM 782 CD LYS A 50 -3.012 -3.670 7.303 1.00 0.00 C ATOM 783 CE LYS A 50 -2.695 -2.290 7.883 1.00 0.00 C ATOM 784 NZ LYS A 50 -2.086 -2.352 9.207 1.00 0.00 N ATOM 0 H LYS A 50 -5.399 -4.052 4.113 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.681 -4.178 3.187 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.172 -5.516 5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.428 -5.510 5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.484 -2.990 5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.210 -3.059 5.628 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.886 -4.087 7.803 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.181 -4.349 7.495 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.024 -1.763 7.205 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.614 -1.706 7.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.895 -1.388 9.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.735 -2.829 9.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.194 -2.884 9.154 1.00 0.00 H new ATOM 798 N ASN A 51 -4.583 -6.805 2.755 1.00 0.00 N ATOM 799 CA ASN A 51 -4.556 -8.127 2.107 1.00 0.00 C ATOM 800 C ASN A 51 -4.304 -8.036 0.582 1.00 0.00 C ATOM 801 O ASN A 51 -3.971 -9.039 -0.040 1.00 0.00 O ATOM 802 CB ASN A 51 -5.696 -9.069 2.521 1.00 0.00 C ATOM 803 CG ASN A 51 -7.071 -8.418 2.574 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.518 -7.989 3.626 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.724 -8.386 1.409 1.00 0.00 N ATOM 0 H ASN A 51 -5.503 -6.446 3.010 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.678 -8.631 2.511 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.731 -9.904 1.822 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.468 -9.484 3.502 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.660 -7.983 1.360 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.287 -8.764 0.569 1.00 0.00 H new ATOM 812 N TYR A 52 -4.405 -6.803 0.024 1.00 0.00 N ATOM 813 CA TYR A 52 -4.123 -6.645 -1.407 1.00 0.00 C ATOM 814 C TYR A 52 -2.663 -6.234 -1.713 1.00 0.00 C ATOM 815 O TYR A 52 -2.283 -6.223 -2.874 1.00 0.00 O ATOM 816 CB TYR A 52 -5.085 -5.601 -2.005 1.00 0.00 C ATOM 817 CG TYR A 52 -6.327 -6.282 -2.490 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.229 -6.836 -1.598 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.549 -6.421 -3.854 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.311 -7.573 -2.051 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.616 -7.164 -4.322 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.507 -7.764 -3.422 1.00 0.00 C ATOM 823 OH TYR A 52 -9.537 -8.582 -3.878 1.00 0.00 O ATOM 0 H TYR A 52 -4.666 -5.951 0.520 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.272 -7.624 -1.863 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.338 -4.853 -1.254 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.601 -5.075 -2.828 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.088 -6.692 -0.537 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.881 -5.944 -4.556 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.005 -8.001 -1.343 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.764 -7.283 -5.385 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.862 -9.140 -3.141 1.00 0.00 H new ATOM 833 N ILE A 53 -1.875 -5.898 -0.660 1.00 0.00 N ATOM 834 CA ILE A 53 -0.473 -5.489 -0.855 1.00 0.00 C ATOM 835 C ILE A 53 0.462 -6.227 0.146 1.00 0.00 C ATOM 836 O ILE A 53 0.037 -6.906 1.071 1.00 0.00 O ATOM 837 CB ILE A 53 -0.345 -3.929 -0.862 1.00 0.00 C ATOM 838 CG1 ILE A 53 0.825 -3.371 -0.021 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.657 -3.228 -0.502 1.00 0.00 C ATOM 840 CD1 ILE A 53 0.969 -1.871 0.013 1.00 0.00 C ATOM 0 H ILE A 53 -2.185 -5.904 0.312 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.129 -5.802 -1.841 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.105 -3.694 -1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.710 -3.727 1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.754 -3.795 -0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.510 -2.148 -0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.426 -3.503 -1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.970 -3.533 0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.823 -1.601 0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.124 -1.497 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.064 -1.428 0.429 1.00 0.00 H new ATOM 852 N GLU A 54 1.765 -6.010 -0.142 1.00 0.00 N ATOM 853 CA GLU A 54 2.951 -6.448 0.588 1.00 0.00 C ATOM 854 C GLU A 54 3.819 -5.170 0.721 1.00 0.00 C ATOM 855 O GLU A 54 3.969 -4.432 -0.243 1.00 0.00 O ATOM 856 CB GLU A 54 3.688 -7.530 -0.218 1.00 0.00 C ATOM 857 CG GLU A 54 5.098 -7.833 0.322 1.00 0.00 C ATOM 858 CD GLU A 54 5.791 -8.953 -0.466 1.00 0.00 C ATOM 859 OE1 GLU A 54 5.636 -10.120 -0.101 1.00 0.00 O ATOM 860 OE2 GLU A 54 6.489 -8.645 -1.433 1.00 0.00 O ATOM 0 H GLU A 54 2.024 -5.473 -0.970 1.00 0.00 H new ATOM 0 HA GLU A 54 2.716 -6.883 1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.098 -8.446 -0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.765 -7.211 -1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.705 -6.929 0.276 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.030 -8.118 1.372 1.00 0.00 H new ATOM 927 N VAL B 1 -8.850 -14.342 -8.674 1.00 0.00 N ATOM 928 CA VAL B 1 -9.899 -13.962 -7.729 1.00 0.00 C ATOM 929 C VAL B 1 -9.209 -13.661 -6.385 1.00 0.00 C ATOM 930 O VAL B 1 -9.118 -14.523 -5.518 1.00 0.00 O ATOM 931 CB VAL B 1 -10.921 -15.108 -7.588 1.00 0.00 C ATOM 932 CG1 VAL B 1 -12.064 -14.741 -6.628 1.00 0.00 C ATOM 933 CG2 VAL B 1 -11.493 -15.505 -8.955 1.00 0.00 C ATOM 0 H1 VAL B 1 -9.163 -14.130 -9.643 1.00 0.00 H new ATOM 0 H2 VAL B 1 -7.984 -13.806 -8.465 1.00 0.00 H new ATOM 0 H3 VAL B 1 -8.657 -15.360 -8.587 1.00 0.00 H new ATOM 0 HA VAL B 1 -10.445 -13.084 -8.074 1.00 0.00 H new ATOM 0 HB VAL B 1 -10.387 -15.960 -7.167 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -12.762 -15.575 -6.557 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -11.655 -14.525 -5.641 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -12.587 -13.862 -7.004 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -12.211 -16.315 -8.828 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -11.991 -14.646 -9.404 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -10.684 -15.837 -9.606 1.00 0.00 H new ATOM 943 N PRO B 2 -8.708 -12.405 -6.232 1.00 0.00 N ATOM 944 CA PRO B 2 -8.022 -12.030 -5.004 1.00 0.00 C ATOM 945 C PRO B 2 -8.943 -11.961 -3.765 1.00 0.00 C ATOM 946 O PRO B 2 -10.163 -11.922 -3.878 1.00 0.00 O ATOM 947 CB PRO B 2 -7.369 -10.684 -5.316 1.00 0.00 C ATOM 948 CG PRO B 2 -7.878 -10.212 -6.679 1.00 0.00 C ATOM 949 CD PRO B 2 -8.745 -11.339 -7.236 1.00 0.00 C ATOM 0 HA PRO B 2 -7.293 -12.791 -4.724 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -7.615 -9.954 -4.545 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -6.283 -10.782 -5.328 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.455 -9.292 -6.580 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -7.046 -9.996 -7.349 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.766 -10.999 -7.407 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -8.361 -11.691 -8.194 1.00 0.00 H new ATOM 957 N PRO B 3 -8.275 -11.965 -2.572 1.00 0.00 N ATOM 958 CA PRO B 3 -8.905 -11.908 -1.256 1.00 0.00 C ATOM 959 C PRO B 3 -10.154 -11.022 -1.064 1.00 0.00 C ATOM 960 O PRO B 3 -10.356 -10.039 -1.763 1.00 0.00 O ATOM 961 CB PRO B 3 -7.785 -11.296 -0.397 1.00 0.00 C ATOM 962 CG PRO B 3 -6.476 -11.794 -1.005 1.00 0.00 C ATOM 963 CD PRO B 3 -6.814 -12.089 -2.466 1.00 0.00 C ATOM 0 HA PRO B 3 -9.279 -12.905 -1.023 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -7.833 -10.207 -0.410 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.876 -11.607 0.644 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.691 -11.042 -0.924 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.116 -12.687 -0.494 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.313 -11.387 -3.133 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.485 -13.089 -2.749 1.00 0.00 H new ATOM 971 N PRO B 4 -10.985 -11.393 -0.047 1.00 0.00 N ATOM 972 CA PRO B 4 -12.158 -10.600 0.311 1.00 0.00 C ATOM 973 C PRO B 4 -11.629 -9.380 1.063 1.00 0.00 C ATOM 974 O PRO B 4 -10.949 -9.476 2.077 1.00 0.00 O ATOM 975 CB PRO B 4 -12.961 -11.515 1.242 1.00 0.00 C ATOM 976 CG PRO B 4 -11.922 -12.466 1.849 1.00 0.00 C ATOM 977 CD PRO B 4 -10.815 -12.577 0.796 1.00 0.00 C ATOM 0 HA PRO B 4 -12.771 -10.266 -0.526 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.472 -10.942 2.016 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.727 -12.064 0.693 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.533 -12.076 2.789 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.359 -13.441 2.065 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.828 -12.595 1.259 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.912 -13.494 0.215 1.00 0.00 H new ATOM 985 N VAL B 5 -11.962 -8.233 0.459 1.00 0.00 N ATOM 986 CA VAL B 5 -11.512 -6.968 0.998 1.00 0.00 C ATOM 987 C VAL B 5 -12.163 -6.705 2.378 1.00 0.00 C ATOM 988 O VAL B 5 -13.349 -6.961 2.553 1.00 0.00 O ATOM 989 CB VAL B 5 -11.796 -5.854 0.015 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.922 -4.625 0.295 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.592 -6.231 -1.441 1.00 0.00 C ATOM 0 H VAL B 5 -12.530 -8.166 -0.385 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.434 -7.006 1.152 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.853 -5.636 0.165 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -11.151 -3.843 -0.429 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -11.123 -4.258 1.301 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.870 -4.900 0.212 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.818 -5.373 -2.074 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.557 -6.534 -1.597 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.255 -7.057 -1.699 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.359 -6.195 3.349 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.882 -5.903 4.682 1.00 0.00 C ATOM 1003 C PRO B 6 -13.026 -4.863 4.671 1.00 0.00 C ATOM 1004 O PRO B 6 -13.157 -4.071 3.750 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.684 -5.319 5.450 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.434 -5.569 4.605 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.932 -5.912 3.201 1.00 0.00 C ATOM 0 HA PRO B 6 -12.302 -6.805 5.127 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.823 -4.252 5.624 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.587 -5.791 6.428 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.793 -4.687 4.587 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.841 -6.385 5.018 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.766 -5.083 2.513 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.401 -6.774 2.796 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.868 -4.897 5.735 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.946 -3.921 5.862 1.00 0.00 C ATOM 1017 C PRO B 7 -14.345 -2.587 6.344 1.00 0.00 C ATOM 1018 O PRO B 7 -13.888 -2.472 7.475 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.836 -4.510 6.959 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.900 -5.395 7.796 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.850 -5.897 6.802 1.00 0.00 C ATOM 0 HA PRO B 7 -15.485 -3.736 4.933 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -16.285 -3.725 7.567 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -16.654 -5.092 6.534 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -14.440 -4.830 8.606 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -15.441 -6.224 8.253 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.866 -5.970 7.264 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -14.099 -6.889 6.424 1.00 0.00 H new ATOM 1029 N ARG B 8 -14.368 -1.591 5.431 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.815 -0.293 5.808 1.00 0.00 C ATOM 1031 C ARG B 8 -14.912 0.519 6.506 1.00 0.00 C ATOM 1032 O ARG B 8 -15.813 1.085 5.899 1.00 0.00 O ATOM 1033 CB ARG B 8 -13.261 0.469 4.605 1.00 0.00 C ATOM 1034 CG ARG B 8 -12.191 1.487 5.040 1.00 0.00 C ATOM 1035 CD ARG B 8 -11.867 2.565 3.995 1.00 0.00 C ATOM 1036 NE ARG B 8 -13.056 3.346 3.659 1.00 0.00 N ATOM 1037 CZ ARG B 8 -13.614 4.217 4.529 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -13.063 4.460 5.711 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -14.733 4.846 4.207 1.00 0.00 N ATOM 0 H ARG B 8 -14.742 -1.660 4.485 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.976 -0.453 6.485 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -12.830 -0.234 3.892 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -14.072 0.986 4.093 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -12.525 1.976 5.955 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -11.275 0.949 5.283 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -11.090 3.226 4.379 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -11.470 2.096 3.095 1.00 0.00 H new ATOM 0 HE ARG B 8 -13.478 3.230 2.738 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -12.201 3.986 5.979 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -13.502 5.121 6.352 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -15.173 4.673 3.303 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -15.155 5.504 4.863 1.00 0.00 H new