USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 550 hydrogens (5 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 37 TYR OH : rot 180:sc= 0.5 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 166:sc= 0.577 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -105:sc= 0.0476 (180deg=-0.906) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -58:sc= 1.16 USER MOD Single : A 18 SER OG : rot 180:sc= -0.124 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.335 K(o=-0.33,f=-2.7!) USER MOD Single : A 32 CYS SG : rot 169:sc= -0.395 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -2.83 X(o=-2.8,f=-2.8) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0094 X(o=-0.0094,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.01 X(o=-1,f=-0.82) USER MOD Single : A 52 TYR OH : rot -17:sc= 0.689 USER MOD Single : A 55 MET CE :methyl 157:sc= -3.22! (180deg=-4.02!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.104 3.237 4.503 1.00 0.00 N ATOM 2 CA MET A 1 8.456 1.933 3.931 1.00 0.00 C ATOM 3 C MET A 1 8.058 1.859 2.450 1.00 0.00 C ATOM 4 O MET A 1 7.408 2.755 1.915 1.00 0.00 O ATOM 5 CB MET A 1 7.724 0.813 4.726 1.00 0.00 C ATOM 6 CG MET A 1 8.493 0.095 5.845 1.00 0.00 C ATOM 7 SD MET A 1 10.262 0.407 5.932 1.00 0.00 S ATOM 8 CE MET A 1 10.313 1.026 7.623 1.00 0.00 C ATOM 0 H1 MET A 1 8.965 3.810 4.617 1.00 0.00 H new ATOM 0 H2 MET A 1 7.443 3.728 3.867 1.00 0.00 H new ATOM 0 H3 MET A 1 7.654 3.099 5.431 1.00 0.00 H new ATOM 0 HA MET A 1 9.535 1.798 4.002 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.827 1.249 5.166 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.395 0.059 4.011 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.049 0.378 6.800 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.341 -0.978 5.729 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.339 1.284 7.885 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.684 1.912 7.705 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.947 0.257 8.303 1.00 0.00 H new ATOM 18 N GLU A 2 8.409 0.684 1.855 1.00 0.00 N ATOM 19 CA GLU A 2 8.020 0.457 0.473 1.00 0.00 C ATOM 20 C GLU A 2 6.785 -0.452 0.537 1.00 0.00 C ATOM 21 O GLU A 2 6.598 -1.254 1.447 1.00 0.00 O ATOM 22 CB GLU A 2 9.122 -0.254 -0.323 1.00 0.00 C ATOM 23 CG GLU A 2 10.457 0.498 -0.271 1.00 0.00 C ATOM 24 CD GLU A 2 11.389 -0.025 -1.366 1.00 0.00 C ATOM 25 OE1 GLU A 2 11.696 -1.217 -1.353 1.00 0.00 O ATOM 26 OE2 GLU A 2 11.792 0.761 -2.222 1.00 0.00 O ATOM 0 H GLU A 2 8.932 -0.071 2.299 1.00 0.00 H new ATOM 0 HA GLU A 2 7.829 1.407 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.259 -1.261 0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.807 -0.359 -1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.288 1.567 -0.404 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.921 0.368 0.707 1.00 0.00 H new ATOM 33 N ALA A 3 5.986 -0.287 -0.529 1.00 0.00 N ATOM 34 CA ALA A 3 4.737 -1.018 -0.654 1.00 0.00 C ATOM 35 C ALA A 3 4.613 -1.524 -2.091 1.00 0.00 C ATOM 36 O ALA A 3 5.151 -0.943 -3.025 1.00 0.00 O ATOM 37 CB ALA A 3 3.605 -0.060 -0.287 1.00 0.00 C ATOM 0 H ALA A 3 6.189 0.343 -1.305 1.00 0.00 H new ATOM 0 HA ALA A 3 4.696 -1.882 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.649 -0.577 -0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.741 0.289 0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.616 0.793 -0.965 1.00 0.00 H new ATOM 43 N ILE A 4 3.866 -2.646 -2.199 1.00 0.00 N ATOM 44 CA ILE A 4 3.743 -3.286 -3.498 1.00 0.00 C ATOM 45 C ILE A 4 2.386 -3.999 -3.600 1.00 0.00 C ATOM 46 O ILE A 4 2.055 -4.880 -2.814 1.00 0.00 O ATOM 47 CB ILE A 4 4.851 -4.350 -3.567 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.262 -3.754 -3.406 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.773 -5.191 -4.850 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.379 -4.779 -3.549 1.00 0.00 C ATOM 0 H ILE A 4 3.366 -3.099 -1.433 1.00 0.00 H new ATOM 0 HA ILE A 4 3.823 -2.552 -4.300 1.00 0.00 H new ATOM 0 HB ILE A 4 4.672 -5.008 -2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.403 -2.970 -4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.338 -3.281 -2.427 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.576 -5.928 -4.851 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.811 -5.702 -4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.876 -4.540 -5.718 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.343 -4.286 -3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.264 -5.551 -2.788 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.330 -5.235 -4.538 1.00 0.00 H new ATOM 62 N ALA A 5 1.642 -3.580 -4.637 1.00 0.00 N ATOM 63 CA ALA A 5 0.352 -4.195 -4.864 1.00 0.00 C ATOM 64 C ALA A 5 0.515 -5.671 -5.281 1.00 0.00 C ATOM 65 O ALA A 5 1.157 -5.984 -6.276 1.00 0.00 O ATOM 66 CB ALA A 5 -0.275 -3.469 -6.051 1.00 0.00 C ATOM 0 H ALA A 5 1.907 -2.850 -5.298 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.246 -4.138 -3.955 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.254 -3.898 -6.264 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.386 -2.411 -5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.367 -3.579 -6.925 1.00 0.00 H new ATOM 72 N LYS A 6 -0.209 -6.529 -4.541 1.00 0.00 N ATOM 73 CA LYS A 6 -0.192 -7.969 -4.824 1.00 0.00 C ATOM 74 C LYS A 6 -1.345 -8.405 -5.777 1.00 0.00 C ATOM 75 O LYS A 6 -1.238 -9.424 -6.444 1.00 0.00 O ATOM 76 CB LYS A 6 -0.438 -8.742 -3.539 1.00 0.00 C ATOM 77 CG LYS A 6 0.631 -8.499 -2.489 1.00 0.00 C ATOM 78 CD LYS A 6 1.556 -9.697 -2.332 1.00 0.00 C ATOM 79 CE LYS A 6 2.183 -10.204 -3.631 1.00 0.00 C ATOM 80 NZ LYS A 6 3.475 -10.837 -3.405 1.00 0.00 N ATOM 0 H LYS A 6 -0.802 -6.255 -3.758 1.00 0.00 H new ATOM 0 HA LYS A 6 0.778 -8.174 -5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.410 -8.461 -3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.483 -9.807 -3.765 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.217 -7.622 -2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.157 -8.279 -1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.355 -9.432 -1.640 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.996 -10.512 -1.874 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.508 -10.917 -4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.304 -9.371 -4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.864 -11.166 -4.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.128 -10.150 -2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.357 -11.648 -2.765 1.00 0.00 H new ATOM 94 N TYR A 7 -2.440 -7.607 -5.805 1.00 0.00 N ATOM 95 CA TYR A 7 -3.584 -7.902 -6.680 1.00 0.00 C ATOM 96 C TYR A 7 -4.099 -6.569 -7.229 1.00 0.00 C ATOM 97 O TYR A 7 -3.759 -5.494 -6.756 1.00 0.00 O ATOM 98 CB TYR A 7 -4.752 -8.554 -5.888 1.00 0.00 C ATOM 99 CG TYR A 7 -4.418 -9.990 -5.447 1.00 0.00 C ATOM 100 CD1 TYR A 7 -3.513 -10.202 -4.370 1.00 0.00 C ATOM 101 CD2 TYR A 7 -4.939 -11.120 -6.149 1.00 0.00 C ATOM 102 CE1 TYR A 7 -3.006 -11.497 -4.077 1.00 0.00 C ATOM 103 CE2 TYR A 7 -4.488 -12.435 -5.843 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.506 -12.633 -4.813 1.00 0.00 C ATOM 105 OH TYR A 7 -3.064 -13.945 -4.523 1.00 0.00 O ATOM 0 H TYR A 7 -2.548 -6.767 -5.237 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.259 -8.587 -7.463 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.978 -7.948 -5.010 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.649 -8.564 -6.507 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.205 -9.363 -3.764 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.682 -10.975 -6.919 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.255 -11.629 -3.312 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.883 -13.282 -6.384 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.511 -14.580 -5.120 1.00 0.00 H new ATOM 115 N ASP A 8 -4.953 -6.693 -8.259 1.00 0.00 N ATOM 116 CA ASP A 8 -5.502 -5.453 -8.811 1.00 0.00 C ATOM 117 C ASP A 8 -6.454 -4.838 -7.761 1.00 0.00 C ATOM 118 O ASP A 8 -6.872 -5.510 -6.832 1.00 0.00 O ATOM 119 CB ASP A 8 -6.256 -5.728 -10.113 1.00 0.00 C ATOM 120 CG ASP A 8 -6.638 -4.406 -10.802 1.00 0.00 C ATOM 121 OD1 ASP A 8 -5.796 -3.852 -11.501 1.00 0.00 O ATOM 122 OD2 ASP A 8 -7.764 -3.945 -10.620 1.00 0.00 O ATOM 0 H ASP A 8 -5.257 -7.564 -8.694 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.692 -4.760 -9.038 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.636 -6.327 -10.780 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.154 -6.309 -9.905 1.00 0.00 H new ATOM 127 N PHE A 9 -6.651 -3.513 -7.863 1.00 0.00 N ATOM 128 CA PHE A 9 -7.636 -2.879 -6.968 1.00 0.00 C ATOM 129 C PHE A 9 -8.292 -1.726 -7.747 1.00 0.00 C ATOM 130 O PHE A 9 -7.653 -1.043 -8.534 1.00 0.00 O ATOM 131 CB PHE A 9 -7.055 -2.479 -5.588 1.00 0.00 C ATOM 132 CG PHE A 9 -8.124 -2.243 -4.487 1.00 0.00 C ATOM 133 CD1 PHE A 9 -8.848 -3.373 -4.011 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.454 -0.948 -3.952 1.00 0.00 C ATOM 135 CE1 PHE A 9 -9.849 -3.245 -3.017 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.518 -0.808 -2.986 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.212 -1.975 -2.515 1.00 0.00 C ATOM 0 H PHE A 9 -6.174 -2.890 -8.515 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.405 -3.599 -6.690 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.373 -3.261 -5.254 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.465 -1.570 -5.705 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.629 -4.350 -4.417 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.903 -0.077 -4.275 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.341 -4.129 -2.638 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.791 0.170 -2.619 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.003 -1.882 -1.785 1.00 0.00 H new ATOM 147 N LYS A 10 -9.618 -1.632 -7.551 1.00 0.00 N ATOM 148 CA LYS A 10 -10.441 -0.581 -8.140 1.00 0.00 C ATOM 149 C LYS A 10 -11.261 0.023 -6.995 1.00 0.00 C ATOM 150 O LYS A 10 -12.252 -0.550 -6.561 1.00 0.00 O ATOM 151 CB LYS A 10 -11.366 -1.070 -9.251 1.00 0.00 C ATOM 152 CG LYS A 10 -12.314 -2.170 -8.788 1.00 0.00 C ATOM 153 CD LYS A 10 -13.732 -1.646 -8.523 1.00 0.00 C ATOM 154 CE LYS A 10 -14.759 -2.140 -9.534 1.00 0.00 C ATOM 155 NZ LYS A 10 -16.094 -2.240 -8.952 1.00 0.00 N ATOM 0 H LYS A 10 -10.144 -2.290 -6.976 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.789 0.150 -8.618 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.949 -0.230 -9.629 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.765 -1.440 -10.081 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.354 -2.953 -9.545 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.922 -2.625 -7.879 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.042 -1.950 -7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.717 -0.556 -8.535 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.785 -1.461 -10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.455 -3.116 -9.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.762 -2.579 -9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.076 -2.908 -8.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.396 -1.304 -8.613 1.00 0.00 H new ATOM 169 N ALA A 11 -10.818 1.211 -6.553 1.00 0.00 N ATOM 170 CA ALA A 11 -11.474 1.925 -5.457 1.00 0.00 C ATOM 171 C ALA A 11 -13.007 1.976 -5.628 1.00 0.00 C ATOM 172 O ALA A 11 -13.564 1.825 -6.713 1.00 0.00 O ATOM 173 CB ALA A 11 -11.004 3.362 -5.371 1.00 0.00 C ATOM 0 H ALA A 11 -10.008 1.694 -6.941 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.211 1.371 -4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.512 3.862 -4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.928 3.383 -5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.234 3.876 -6.304 1.00 0.00 H new ATOM 179 N THR A 12 -13.618 2.178 -4.449 1.00 0.00 N ATOM 180 CA THR A 12 -15.058 2.268 -4.330 1.00 0.00 C ATOM 181 C THR A 12 -15.549 3.218 -3.187 1.00 0.00 C ATOM 182 O THR A 12 -16.678 3.109 -2.714 1.00 0.00 O ATOM 183 CB THR A 12 -15.661 0.875 -4.118 1.00 0.00 C ATOM 184 OG1 THR A 12 -17.110 0.955 -4.027 1.00 0.00 O ATOM 185 CG2 THR A 12 -15.056 0.194 -2.867 1.00 0.00 C ATOM 0 H THR A 12 -13.120 2.281 -3.565 1.00 0.00 H new ATOM 0 HA THR A 12 -15.401 2.703 -5.269 1.00 0.00 H new ATOM 0 HB THR A 12 -15.411 0.258 -4.981 1.00 0.00 H new ATOM 0 HG1 THR A 12 -17.359 1.557 -3.295 1.00 0.00 H new ATOM 0 HG21 THR A 12 -15.501 -0.793 -2.739 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.978 0.093 -2.993 1.00 0.00 H new ATOM 0 HG23 THR A 12 -15.262 0.802 -1.986 1.00 0.00 H new ATOM 193 N ALA A 13 -14.659 4.138 -2.764 1.00 0.00 N ATOM 194 CA ALA A 13 -15.002 5.081 -1.703 1.00 0.00 C ATOM 195 C ALA A 13 -14.160 6.337 -1.910 1.00 0.00 C ATOM 196 O ALA A 13 -12.992 6.268 -2.256 1.00 0.00 O ATOM 197 CB ALA A 13 -14.634 4.427 -0.359 1.00 0.00 C ATOM 0 H ALA A 13 -13.716 4.241 -3.139 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.061 5.337 -1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.879 5.108 0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.196 3.501 -0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.566 4.208 -0.341 1.00 0.00 H new ATOM 203 N ASP A 14 -14.816 7.484 -1.668 1.00 0.00 N ATOM 204 CA ASP A 14 -14.161 8.785 -1.797 1.00 0.00 C ATOM 205 C ASP A 14 -12.715 8.835 -1.193 1.00 0.00 C ATOM 206 O ASP A 14 -11.839 9.504 -1.729 1.00 0.00 O ATOM 207 CB ASP A 14 -15.093 9.761 -1.076 1.00 0.00 C ATOM 208 CG ASP A 14 -14.727 11.234 -1.311 1.00 0.00 C ATOM 209 OD1 ASP A 14 -13.543 11.566 -1.315 1.00 0.00 O ATOM 210 OD2 ASP A 14 -15.637 12.042 -1.483 1.00 0.00 O ATOM 0 H ASP A 14 -15.794 7.531 -1.384 1.00 0.00 H new ATOM 0 HA ASP A 14 -14.011 9.030 -2.849 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.116 9.590 -1.410 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.068 9.554 -0.006 1.00 0.00 H new ATOM 215 N ASP A 15 -12.507 8.052 -0.106 1.00 0.00 N ATOM 216 CA ASP A 15 -11.204 8.027 0.582 1.00 0.00 C ATOM 217 C ASP A 15 -10.195 6.924 0.108 1.00 0.00 C ATOM 218 O ASP A 15 -9.041 6.920 0.515 1.00 0.00 O ATOM 219 CB ASP A 15 -11.544 7.760 2.059 1.00 0.00 C ATOM 220 CG ASP A 15 -12.124 6.354 2.353 1.00 0.00 C ATOM 221 OD1 ASP A 15 -12.217 5.524 1.453 1.00 0.00 O ATOM 222 OD2 ASP A 15 -12.481 6.104 3.498 1.00 0.00 O ATOM 0 H ASP A 15 -13.214 7.442 0.303 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.698 8.970 0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.641 7.896 2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.262 8.510 2.392 1.00 0.00 H new ATOM 227 N GLU A 16 -10.648 6.052 -0.808 1.00 0.00 N ATOM 228 CA GLU A 16 -9.797 4.961 -1.299 1.00 0.00 C ATOM 229 C GLU A 16 -9.363 5.279 -2.733 1.00 0.00 C ATOM 230 O GLU A 16 -10.056 5.953 -3.484 1.00 0.00 O ATOM 231 CB GLU A 16 -10.601 3.639 -1.335 1.00 0.00 C ATOM 232 CG GLU A 16 -10.522 2.842 -0.028 1.00 0.00 C ATOM 233 CD GLU A 16 -11.528 1.679 -0.045 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.620 0.993 -1.064 1.00 0.00 O ATOM 235 OE2 GLU A 16 -12.210 1.474 0.958 1.00 0.00 O ATOM 0 H GLU A 16 -11.582 6.081 -1.216 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.936 4.859 -0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.645 3.863 -1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.231 3.020 -2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.512 2.455 0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.729 3.498 0.818 1.00 0.00 H new ATOM 242 N LEU A 17 -8.202 4.671 -3.069 1.00 0.00 N ATOM 243 CA LEU A 17 -7.608 4.814 -4.409 1.00 0.00 C ATOM 244 C LEU A 17 -7.167 3.444 -4.973 1.00 0.00 C ATOM 245 O LEU A 17 -6.982 2.468 -4.257 1.00 0.00 O ATOM 246 CB LEU A 17 -6.523 5.902 -4.482 1.00 0.00 C ATOM 247 CG LEU A 17 -5.250 5.722 -3.653 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.280 4.744 -4.305 1.00 0.00 C ATOM 249 CD2 LEU A 17 -4.535 7.064 -3.614 1.00 0.00 C ATOM 0 H LEU A 17 -7.665 4.082 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.391 5.182 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.227 6.005 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.980 6.846 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.536 5.349 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.390 4.646 -3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.760 3.771 -4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.996 5.115 -5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.620 6.972 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.287 7.374 -4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.185 7.809 -3.156 1.00 0.00 H new ATOM 261 N SER A 18 -7.053 3.448 -6.318 1.00 0.00 N ATOM 262 CA SER A 18 -6.683 2.253 -7.082 1.00 0.00 C ATOM 263 C SER A 18 -5.204 1.967 -7.247 1.00 0.00 C ATOM 264 O SER A 18 -4.332 2.750 -6.910 1.00 0.00 O ATOM 265 CB SER A 18 -7.304 2.474 -8.499 1.00 0.00 C ATOM 266 OG SER A 18 -8.748 2.208 -8.428 1.00 0.00 O ATOM 0 H SER A 18 -7.214 4.274 -6.894 1.00 0.00 H new ATOM 0 HA SER A 18 -7.050 1.390 -6.526 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.124 3.495 -8.835 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.833 1.812 -9.225 1.00 0.00 H new ATOM 0 HG SER A 18 -9.150 2.345 -9.311 1.00 0.00 H new ATOM 272 N PHE A 19 -5.032 0.747 -7.809 1.00 0.00 N ATOM 273 CA PHE A 19 -3.723 0.217 -8.213 1.00 0.00 C ATOM 274 C PHE A 19 -3.935 -0.994 -9.156 1.00 0.00 C ATOM 275 O PHE A 19 -5.045 -1.482 -9.323 1.00 0.00 O ATOM 276 CB PHE A 19 -2.761 -0.141 -7.054 1.00 0.00 C ATOM 277 CG PHE A 19 -3.365 -0.955 -5.890 1.00 0.00 C ATOM 278 CD1 PHE A 19 -3.984 -0.289 -4.790 1.00 0.00 C ATOM 279 CD2 PHE A 19 -3.319 -2.379 -5.894 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.565 -1.030 -3.724 1.00 0.00 C ATOM 281 CE2 PHE A 19 -3.861 -3.123 -4.805 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.491 -2.450 -3.725 1.00 0.00 C ATOM 0 H PHE A 19 -5.804 0.106 -7.992 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.216 1.031 -8.731 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.923 -0.704 -7.466 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.354 0.785 -6.649 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.012 0.790 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.870 -2.899 -6.728 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.062 -0.515 -2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.792 -4.201 -4.802 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.913 -3.015 -2.907 1.00 0.00 H new ATOM 292 N LYS A 20 -2.819 -1.390 -9.822 1.00 0.00 N ATOM 293 CA LYS A 20 -2.848 -2.535 -10.734 1.00 0.00 C ATOM 294 C LYS A 20 -1.613 -3.452 -10.492 1.00 0.00 C ATOM 295 O LYS A 20 -0.478 -3.092 -10.782 1.00 0.00 O ATOM 296 CB LYS A 20 -3.039 -2.092 -12.185 1.00 0.00 C ATOM 297 CG LYS A 20 -1.743 -1.672 -12.842 1.00 0.00 C ATOM 298 CD LYS A 20 -1.894 -0.544 -13.854 1.00 0.00 C ATOM 299 CE LYS A 20 -2.369 0.740 -13.160 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.121 1.937 -13.951 1.00 0.00 N ATOM 0 H LYS A 20 -1.910 -0.935 -9.739 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.722 -3.149 -10.517 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.482 -2.909 -12.755 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.744 -1.261 -12.217 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.041 -1.360 -12.069 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.304 -2.536 -13.341 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.941 -0.364 -14.352 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.608 -0.833 -14.626 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.436 0.662 -12.954 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.865 0.835 -12.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.462 2.772 -13.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.100 2.032 -14.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.623 1.864 -14.859 1.00 0.00 H new ATOM 314 N ARG A 21 -1.934 -4.662 -9.960 1.00 0.00 N ATOM 315 CA ARG A 21 -1.013 -5.757 -9.596 1.00 0.00 C ATOM 316 C ARG A 21 0.475 -5.479 -9.960 1.00 0.00 C ATOM 317 O ARG A 21 0.932 -5.776 -11.060 1.00 0.00 O ATOM 318 CB ARG A 21 -1.544 -7.077 -10.182 1.00 0.00 C ATOM 319 CG ARG A 21 -0.506 -8.206 -10.297 1.00 0.00 C ATOM 320 CD ARG A 21 -1.020 -9.553 -9.811 1.00 0.00 C ATOM 321 NE ARG A 21 -1.581 -10.345 -10.903 1.00 0.00 N ATOM 322 CZ ARG A 21 -2.199 -11.528 -10.683 1.00 0.00 C ATOM 323 NH1 ARG A 21 -2.041 -12.213 -9.553 1.00 0.00 N ATOM 324 NH2 ARG A 21 -2.987 -12.031 -11.624 1.00 0.00 N ATOM 0 H ARG A 21 -2.905 -4.907 -9.764 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.996 -5.836 -8.509 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.369 -7.426 -9.561 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.952 -6.878 -11.173 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.195 -8.298 -11.338 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.380 -7.935 -9.722 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.206 -10.105 -9.342 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.781 -9.397 -9.046 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.505 -9.996 -11.858 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.437 -11.849 -8.816 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.524 -13.102 -9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.121 -11.527 -12.500 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.459 -12.922 -11.471 1.00 0.00 H new ATOM 338 N GLY A 22 1.186 -4.929 -8.953 1.00 0.00 N ATOM 339 CA GLY A 22 2.607 -4.596 -9.085 1.00 0.00 C ATOM 340 C GLY A 22 2.990 -3.112 -8.878 1.00 0.00 C ATOM 341 O GLY A 22 4.155 -2.764 -9.025 1.00 0.00 O ATOM 0 H GLY A 22 0.791 -4.708 -8.039 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.166 -5.196 -8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.937 -4.898 -10.079 1.00 0.00 H new ATOM 345 N ASP A 23 2.012 -2.253 -8.519 1.00 0.00 N ATOM 346 CA ASP A 23 2.325 -0.841 -8.356 1.00 0.00 C ATOM 347 C ASP A 23 3.402 -0.580 -7.299 1.00 0.00 C ATOM 348 O ASP A 23 3.576 -1.320 -6.337 1.00 0.00 O ATOM 349 CB ASP A 23 1.048 -0.053 -8.059 1.00 0.00 C ATOM 350 CG ASP A 23 0.254 0.294 -9.347 1.00 0.00 C ATOM 351 OD1 ASP A 23 0.678 -0.058 -10.449 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.796 0.915 -9.234 1.00 0.00 O ATOM 0 H ASP A 23 1.040 -2.510 -8.345 1.00 0.00 H new ATOM 0 HA ASP A 23 2.748 -0.494 -9.299 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.413 -0.634 -7.390 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.306 0.867 -7.535 1.00 0.00 H new ATOM 357 N ILE A 24 4.037 0.587 -7.529 1.00 0.00 N ATOM 358 CA ILE A 24 5.080 1.135 -6.714 1.00 0.00 C ATOM 359 C ILE A 24 4.372 2.134 -5.788 1.00 0.00 C ATOM 360 O ILE A 24 4.029 3.237 -6.192 1.00 0.00 O ATOM 361 CB ILE A 24 6.120 1.804 -7.646 1.00 0.00 C ATOM 362 CG1 ILE A 24 5.591 2.461 -8.944 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.241 0.818 -7.986 1.00 0.00 C ATOM 364 CD1 ILE A 24 6.603 3.442 -9.563 1.00 0.00 C ATOM 0 H ILE A 24 3.809 1.179 -8.327 1.00 0.00 H new ATOM 0 HA ILE A 24 5.623 0.401 -6.119 1.00 0.00 H new ATOM 0 HB ILE A 24 6.483 2.644 -7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.353 1.684 -9.670 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.663 2.990 -8.727 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.965 1.302 -8.642 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.737 0.501 -7.069 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.820 -0.052 -8.490 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.182 3.874 -10.471 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.822 4.237 -8.850 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.523 2.910 -9.807 1.00 0.00 H new ATOM 376 N LEU A 25 4.208 1.685 -4.526 1.00 0.00 N ATOM 377 CA LEU A 25 3.480 2.469 -3.527 1.00 0.00 C ATOM 378 C LEU A 25 4.441 3.052 -2.487 1.00 0.00 C ATOM 379 O LEU A 25 5.567 2.601 -2.320 1.00 0.00 O ATOM 380 CB LEU A 25 2.485 1.541 -2.815 1.00 0.00 C ATOM 381 CG LEU A 25 1.224 1.275 -3.647 1.00 0.00 C ATOM 382 CD1 LEU A 25 1.193 -0.156 -4.192 1.00 0.00 C ATOM 383 CD2 LEU A 25 -0.050 1.537 -2.847 1.00 0.00 C ATOM 0 H LEU A 25 4.568 0.794 -4.185 1.00 0.00 H new ATOM 0 HA LEU A 25 2.964 3.290 -4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.975 0.593 -2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.199 1.985 -1.861 1.00 0.00 H new ATOM 0 HG LEU A 25 1.262 1.970 -4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.284 -0.304 -4.775 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.063 -0.322 -4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.210 -0.862 -3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.920 1.337 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.072 0.884 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.068 2.577 -2.522 1.00 0.00 H new ATOM 395 N LYS A 26 3.913 4.116 -1.840 1.00 0.00 N ATOM 396 CA LYS A 26 4.622 4.815 -0.773 1.00 0.00 C ATOM 397 C LYS A 26 3.730 4.773 0.464 1.00 0.00 C ATOM 398 O LYS A 26 2.764 5.506 0.521 1.00 0.00 O ATOM 399 CB LYS A 26 4.947 6.267 -1.159 1.00 0.00 C ATOM 400 CG LYS A 26 6.227 6.794 -0.486 1.00 0.00 C ATOM 401 CD LYS A 26 6.161 8.305 -0.206 1.00 0.00 C ATOM 402 CE LYS A 26 5.827 8.643 1.253 1.00 0.00 C ATOM 403 NZ LYS A 26 6.961 9.177 2.004 1.00 0.00 N ATOM 0 H LYS A 26 2.992 4.502 -2.049 1.00 0.00 H new ATOM 0 HA LYS A 26 5.578 4.327 -0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.058 6.334 -2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.108 6.907 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.388 6.260 0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.084 6.583 -1.125 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.119 8.757 -0.465 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.410 8.754 -0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.015 9.370 1.272 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.463 7.745 1.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.665 9.383 2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.730 8.477 2.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.296 10.052 1.552 1.00 0.00 H new ATOM 417 N VAL A 27 4.100 4.000 1.507 1.00 0.00 N ATOM 418 CA VAL A 27 3.195 3.932 2.628 1.00 0.00 C ATOM 419 C VAL A 27 3.457 5.101 3.596 1.00 0.00 C ATOM 420 O VAL A 27 4.465 5.180 4.281 1.00 0.00 O ATOM 421 CB VAL A 27 3.406 2.574 3.304 1.00 0.00 C ATOM 422 CG1 VAL A 27 2.640 1.479 2.568 1.00 0.00 C ATOM 423 CG2 VAL A 27 4.862 2.164 3.572 1.00 0.00 C ATOM 0 H VAL A 27 4.960 3.457 1.581 1.00 0.00 H new ATOM 0 HA VAL A 27 2.158 4.021 2.304 1.00 0.00 H new ATOM 0 HB VAL A 27 2.995 2.705 4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.804 0.523 3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.575 1.713 2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.992 1.418 1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.882 1.186 4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.406 2.116 2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.333 2.899 4.225 1.00 0.00 H new ATOM 433 N LEU A 28 2.410 5.941 3.660 1.00 0.00 N ATOM 434 CA LEU A 28 2.343 7.138 4.479 1.00 0.00 C ATOM 435 C LEU A 28 1.809 6.974 5.918 1.00 0.00 C ATOM 436 O LEU A 28 1.880 7.906 6.710 1.00 0.00 O ATOM 437 CB LEU A 28 1.637 8.242 3.719 1.00 0.00 C ATOM 438 CG LEU A 28 1.835 9.678 4.248 1.00 0.00 C ATOM 439 CD1 LEU A 28 0.752 10.090 5.248 1.00 0.00 C ATOM 440 CD2 LEU A 28 3.229 9.919 4.829 1.00 0.00 C ATOM 0 H LEU A 28 1.560 5.788 3.117 1.00 0.00 H new ATOM 0 HA LEU A 28 3.382 7.412 4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.973 8.211 2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.569 8.024 3.715 1.00 0.00 H new ATOM 0 HG LEU A 28 1.739 10.318 3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.939 11.108 5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.225 10.042 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.769 9.413 6.102 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.303 10.947 5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.400 9.236 5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.980 9.746 4.058 1.00 0.00 H new ATOM 452 N ASN A 29 1.281 5.777 6.256 1.00 0.00 N ATOM 453 CA ASN A 29 0.733 5.586 7.606 1.00 0.00 C ATOM 454 C ASN A 29 0.269 4.134 7.759 1.00 0.00 C ATOM 455 O ASN A 29 0.171 3.383 6.793 1.00 0.00 O ATOM 456 CB ASN A 29 -0.407 6.581 7.894 1.00 0.00 C ATOM 457 CG ASN A 29 -0.326 7.100 9.336 1.00 0.00 C ATOM 458 OD1 ASN A 29 0.512 6.689 10.127 1.00 0.00 O ATOM 459 ND2 ASN A 29 -1.255 8.029 9.609 1.00 0.00 N ATOM 0 H ASN A 29 1.225 4.965 5.641 1.00 0.00 H new ATOM 0 HA ASN A 29 1.513 5.786 8.341 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.350 7.418 7.198 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.369 6.096 7.731 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.298 8.449 10.537 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.918 8.315 8.888 1.00 0.00 H new ATOM 466 N GLU A 30 0.063 3.761 9.038 1.00 0.00 N ATOM 467 CA GLU A 30 -0.338 2.372 9.229 1.00 0.00 C ATOM 468 C GLU A 30 -0.816 2.112 10.657 1.00 0.00 C ATOM 469 O GLU A 30 -0.149 1.462 11.452 1.00 0.00 O ATOM 470 CB GLU A 30 0.833 1.428 8.898 1.00 0.00 C ATOM 471 CG GLU A 30 2.224 1.934 9.316 1.00 0.00 C ATOM 472 CD GLU A 30 3.239 0.798 9.158 1.00 0.00 C ATOM 473 OE1 GLU A 30 3.340 -0.027 10.067 1.00 0.00 O ATOM 474 OE2 GLU A 30 3.909 0.751 8.126 1.00 0.00 O ATOM 0 H GLU A 30 0.157 4.341 9.872 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.169 2.177 8.552 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.653 0.469 9.383 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.839 1.246 7.823 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.515 2.786 8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.204 2.279 10.350 1.00 0.00 H new ATOM 481 N GLU A 31 -2.071 2.579 10.862 1.00 0.00 N ATOM 482 CA GLU A 31 -2.778 2.491 12.129 1.00 0.00 C ATOM 483 C GLU A 31 -4.135 3.236 12.039 1.00 0.00 C ATOM 484 O GLU A 31 -4.490 4.013 12.914 1.00 0.00 O ATOM 485 CB GLU A 31 -1.917 3.029 13.265 1.00 0.00 C ATOM 486 CG GLU A 31 -1.532 4.476 13.008 1.00 0.00 C ATOM 487 CD GLU A 31 -1.229 5.215 14.315 1.00 0.00 C ATOM 488 OE1 GLU A 31 -2.037 5.139 15.243 1.00 0.00 O ATOM 489 OE2 GLU A 31 -0.185 5.856 14.389 1.00 0.00 O ATOM 0 H GLU A 31 -2.616 3.032 10.129 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.985 1.443 12.345 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.460 2.954 14.207 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.018 2.421 13.366 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.658 4.511 12.357 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.342 4.981 12.482 1.00 0.00 H new ATOM 496 N CYS A 32 -4.872 2.929 10.949 1.00 0.00 N ATOM 497 CA CYS A 32 -6.157 3.569 10.646 1.00 0.00 C ATOM 498 C CYS A 32 -7.352 2.693 11.038 1.00 0.00 C ATOM 499 O CYS A 32 -8.231 3.123 11.772 1.00 0.00 O ATOM 500 CB CYS A 32 -6.168 3.857 9.147 1.00 0.00 C ATOM 501 SG CYS A 32 -5.143 5.311 8.791 1.00 0.00 S ATOM 0 H CYS A 32 -4.588 2.232 10.261 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.257 4.486 11.228 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.792 2.993 8.599 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.190 4.029 8.808 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.964 5.412 7.507 1.00 0.00 H new ATOM 507 N ASP A 33 -7.312 1.459 10.496 1.00 0.00 N ATOM 508 CA ASP A 33 -8.364 0.477 10.730 1.00 0.00 C ATOM 509 C ASP A 33 -7.832 -0.895 10.289 1.00 0.00 C ATOM 510 O ASP A 33 -8.218 -1.428 9.260 1.00 0.00 O ATOM 511 CB ASP A 33 -9.606 0.796 9.890 1.00 0.00 C ATOM 512 CG ASP A 33 -10.244 2.150 10.220 1.00 0.00 C ATOM 513 OD1 ASP A 33 -10.812 2.284 11.304 1.00 0.00 O ATOM 514 OD2 ASP A 33 -10.150 3.059 9.396 1.00 0.00 O ATOM 0 H ASP A 33 -6.558 1.129 9.894 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.637 0.489 11.785 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.333 0.781 8.835 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.346 0.010 10.039 1.00 0.00 H new ATOM 519 N GLN A 34 -6.939 -1.412 11.152 1.00 0.00 N ATOM 520 CA GLN A 34 -6.229 -2.703 11.072 1.00 0.00 C ATOM 521 C GLN A 34 -6.901 -3.693 10.081 1.00 0.00 C ATOM 522 O GLN A 34 -7.743 -4.512 10.429 1.00 0.00 O ATOM 523 CB GLN A 34 -6.096 -3.322 12.473 1.00 0.00 C ATOM 524 CG GLN A 34 -4.658 -3.776 12.758 1.00 0.00 C ATOM 525 CD GLN A 34 -4.624 -4.863 13.844 1.00 0.00 C ATOM 526 OE1 GLN A 34 -4.433 -6.041 13.572 1.00 0.00 O ATOM 527 NE2 GLN A 34 -4.815 -4.384 15.084 1.00 0.00 N ATOM 0 H GLN A 34 -6.673 -0.897 11.991 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.233 -2.504 10.677 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.403 -2.594 13.223 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.771 -4.174 12.560 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.206 -4.158 11.843 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.060 -2.922 13.076 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.968 -3.386 15.227 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.807 -5.018 15.883 1.00 0.00 H new ATOM 536 N ASN A 35 -6.387 -3.564 8.850 1.00 0.00 N ATOM 537 CA ASN A 35 -6.783 -4.128 7.584 1.00 0.00 C ATOM 538 C ASN A 35 -6.533 -3.215 6.357 1.00 0.00 C ATOM 539 O ASN A 35 -6.864 -3.587 5.242 1.00 0.00 O ATOM 540 CB ASN A 35 -8.283 -4.485 7.593 1.00 0.00 C ATOM 541 CG ASN A 35 -8.631 -5.845 8.181 1.00 0.00 C ATOM 542 OD1 ASN A 35 -9.408 -6.050 9.076 1.00 0.00 O ATOM 543 ND2 ASN A 35 -8.035 -6.795 7.418 1.00 0.00 N ATOM 0 H ASN A 35 -5.566 -2.973 8.720 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.151 -5.010 7.475 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.817 -3.719 8.155 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.654 -4.446 6.569 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.235 -7.781 7.584 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.387 -6.523 6.679 1.00 0.00 H new ATOM 550 N TRP A 36 -6.010 -1.988 6.584 1.00 0.00 N ATOM 551 CA TRP A 36 -5.796 -1.020 5.501 1.00 0.00 C ATOM 552 C TRP A 36 -4.449 -0.289 5.723 1.00 0.00 C ATOM 553 O TRP A 36 -3.805 -0.432 6.755 1.00 0.00 O ATOM 554 CB TRP A 36 -6.999 -0.014 5.515 1.00 0.00 C ATOM 555 CG TRP A 36 -8.324 -0.704 5.161 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.112 -1.473 6.051 1.00 0.00 C ATOM 557 CD2 TRP A 36 -8.925 -0.836 3.820 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.111 -2.078 5.349 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.042 -1.735 3.970 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.610 -0.298 2.555 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.811 -2.095 2.852 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.399 -0.647 1.411 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.503 -1.546 1.562 1.00 0.00 C ATOM 0 H TRP A 36 -5.732 -1.653 7.506 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.749 -1.515 4.531 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.079 0.443 6.501 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -6.808 0.791 4.806 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.948 -1.565 7.114 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.814 -2.694 5.757 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.774 0.377 2.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.634 -2.785 2.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.162 -0.235 0.441 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.104 -1.811 0.705 1.00 0.00 H new ATOM 574 N TYR A 37 -4.033 0.441 4.672 1.00 0.00 N ATOM 575 CA TYR A 37 -2.827 1.269 4.721 1.00 0.00 C ATOM 576 C TYR A 37 -3.120 2.575 3.959 1.00 0.00 C ATOM 577 O TYR A 37 -3.933 2.600 3.043 1.00 0.00 O ATOM 578 CB TYR A 37 -1.606 0.607 4.041 1.00 0.00 C ATOM 579 CG TYR A 37 -1.049 -0.636 4.766 1.00 0.00 C ATOM 580 CD1 TYR A 37 -0.868 -0.611 6.181 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.677 -1.808 4.039 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.325 -1.730 6.861 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.116 -2.937 4.699 1.00 0.00 C ATOM 584 CZ TYR A 37 0.056 -2.893 6.127 1.00 0.00 C ATOM 585 OH TYR A 37 0.543 -3.967 6.871 1.00 0.00 O ATOM 0 H TYR A 37 -4.521 0.470 3.777 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.583 1.427 5.772 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.884 0.323 3.026 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.810 1.347 3.958 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.148 0.270 6.740 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.824 -1.838 2.969 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.200 -1.702 7.933 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.176 -3.812 4.138 1.00 0.00 H new ATOM 0 HH TYR A 37 0.771 -4.706 6.269 1.00 0.00 H new ATOM 595 N LYS A 38 -2.437 3.649 4.409 1.00 0.00 N ATOM 596 CA LYS A 38 -2.545 4.945 3.734 1.00 0.00 C ATOM 597 C LYS A 38 -1.244 5.099 2.938 1.00 0.00 C ATOM 598 O LYS A 38 -0.193 5.173 3.551 1.00 0.00 O ATOM 599 CB LYS A 38 -2.658 6.089 4.757 1.00 0.00 C ATOM 600 CG LYS A 38 -3.182 7.388 4.121 1.00 0.00 C ATOM 601 CD LYS A 38 -4.442 7.948 4.802 1.00 0.00 C ATOM 602 CE LYS A 38 -4.118 8.912 5.950 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.446 10.309 5.667 1.00 0.00 N ATOM 0 H LYS A 38 -1.819 3.640 5.220 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.431 4.987 3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.325 5.787 5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.681 6.273 5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.396 8.142 4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.400 7.204 3.069 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.051 8.465 4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.040 7.121 5.186 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.661 8.596 6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.056 8.839 6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.199 10.897 6.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.908 10.630 4.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.464 10.394 5.474 1.00 0.00 H new ATOM 617 N ALA A 39 -1.342 5.190 1.595 1.00 0.00 N ATOM 618 CA ALA A 39 -0.123 5.287 0.781 1.00 0.00 C ATOM 619 C ALA A 39 -0.278 6.275 -0.395 1.00 0.00 C ATOM 620 O ALA A 39 -1.343 6.844 -0.586 1.00 0.00 O ATOM 621 CB ALA A 39 0.223 3.885 0.282 1.00 0.00 C ATOM 0 H ALA A 39 -2.218 5.198 1.072 1.00 0.00 H new ATOM 0 HA ALA A 39 0.686 5.682 1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.126 3.928 -0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.391 3.227 1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.601 3.499 -0.318 1.00 0.00 H new ATOM 627 N GLU A 40 0.837 6.473 -1.155 1.00 0.00 N ATOM 628 CA GLU A 40 0.794 7.394 -2.293 1.00 0.00 C ATOM 629 C GLU A 40 0.933 6.601 -3.611 1.00 0.00 C ATOM 630 O GLU A 40 1.798 5.744 -3.754 1.00 0.00 O ATOM 631 CB GLU A 40 1.940 8.403 -2.152 1.00 0.00 C ATOM 632 CG GLU A 40 1.887 9.551 -3.171 1.00 0.00 C ATOM 633 CD GLU A 40 3.261 10.223 -3.270 1.00 0.00 C ATOM 634 OE1 GLU A 40 3.796 10.620 -2.233 1.00 0.00 O ATOM 635 OE2 GLU A 40 3.784 10.336 -4.378 1.00 0.00 O ATOM 0 H GLU A 40 1.737 6.019 -0.997 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.157 7.926 -2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.920 8.822 -1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.889 7.878 -2.260 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.588 9.169 -4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.136 10.281 -2.871 1.00 0.00 H new ATOM 642 N LEU A 41 0.096 6.969 -4.558 1.00 0.00 N ATOM 643 CA LEU A 41 -0.022 6.398 -5.882 1.00 0.00 C ATOM 644 C LEU A 41 -0.688 7.242 -6.882 1.00 0.00 C ATOM 645 O LEU A 41 -1.607 7.969 -6.541 1.00 0.00 O ATOM 646 CB LEU A 41 -0.929 5.128 -5.933 1.00 0.00 C ATOM 647 CG LEU A 41 -0.295 3.812 -5.577 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.428 2.823 -5.374 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.499 3.397 -6.867 1.00 0.00 C ATOM 0 H LEU A 41 -0.567 7.730 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 41 1.031 6.225 -6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.772 5.289 -5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.336 5.045 -6.941 1.00 0.00 H new ATOM 0 HG LEU A 41 0.340 3.851 -4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.017 1.848 -5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.075 3.172 -4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.006 2.738 -6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.996 2.442 -6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.192 3.302 -7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.244 4.159 -7.096 1.00 0.00 H new ATOM 661 N ASN A 42 -0.174 7.147 -8.125 1.00 0.00 N ATOM 662 CA ASN A 42 -0.971 7.763 -9.179 1.00 0.00 C ATOM 663 C ASN A 42 -1.327 9.268 -8.975 1.00 0.00 C ATOM 664 O ASN A 42 -2.410 9.706 -9.348 1.00 0.00 O ATOM 665 CB ASN A 42 -2.215 6.819 -9.319 1.00 0.00 C ATOM 666 CG ASN A 42 -2.404 6.357 -10.769 1.00 0.00 C ATOM 667 OD1 ASN A 42 -2.752 7.133 -11.646 1.00 0.00 O ATOM 668 ND2 ASN A 42 -2.120 5.050 -10.948 1.00 0.00 N ATOM 0 H ASN A 42 0.699 6.697 -8.399 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.397 7.835 -10.103 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.090 5.951 -8.672 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.110 7.341 -8.982 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.189 4.636 -11.878 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.836 4.476 -10.154 1.00 0.00 H new ATOM 675 N GLY A 43 -0.408 10.009 -8.318 1.00 0.00 N ATOM 676 CA GLY A 43 -0.666 11.427 -8.055 1.00 0.00 C ATOM 677 C GLY A 43 -1.573 11.732 -6.825 1.00 0.00 C ATOM 678 O GLY A 43 -1.766 12.893 -6.488 1.00 0.00 O ATOM 0 H GLY A 43 0.486 9.658 -7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.290 11.931 -7.912 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.127 11.864 -8.941 1.00 0.00 H new ATOM 682 N LYS A 44 -2.122 10.681 -6.175 1.00 0.00 N ATOM 683 CA LYS A 44 -2.988 10.832 -5.018 1.00 0.00 C ATOM 684 C LYS A 44 -2.415 10.027 -3.839 1.00 0.00 C ATOM 685 O LYS A 44 -1.367 9.402 -3.907 1.00 0.00 O ATOM 686 CB LYS A 44 -4.328 10.208 -5.430 1.00 0.00 C ATOM 687 CG LYS A 44 -5.002 10.936 -6.598 1.00 0.00 C ATOM 688 CD LYS A 44 -6.298 11.622 -6.168 1.00 0.00 C ATOM 689 CE LYS A 44 -6.034 12.837 -5.275 1.00 0.00 C ATOM 690 NZ LYS A 44 -6.847 13.988 -5.636 1.00 0.00 N ATOM 0 H LYS A 44 -1.968 9.711 -6.450 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.084 11.875 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.166 9.166 -5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.001 10.210 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.317 11.678 -7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.215 10.224 -7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.853 11.936 -7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.926 10.909 -5.634 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.232 12.569 -4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.980 13.108 -5.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.628 14.781 -5.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.641 14.264 -6.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.854 13.743 -5.549 1.00 0.00 H new ATOM 704 N ASP A 45 -3.229 10.061 -2.777 1.00 0.00 N ATOM 705 CA ASP A 45 -2.937 9.359 -1.544 1.00 0.00 C ATOM 706 C ASP A 45 -4.298 8.843 -1.055 1.00 0.00 C ATOM 707 O ASP A 45 -5.275 9.582 -1.055 1.00 0.00 O ATOM 708 CB ASP A 45 -2.218 10.279 -0.544 1.00 0.00 C ATOM 709 CG ASP A 45 -3.066 11.504 -0.172 1.00 0.00 C ATOM 710 OD1 ASP A 45 -3.313 12.337 -1.044 1.00 0.00 O ATOM 711 OD2 ASP A 45 -3.469 11.606 0.985 1.00 0.00 O ATOM 0 H ASP A 45 -4.107 10.580 -2.759 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.246 8.526 -1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.980 9.716 0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.272 10.610 -0.972 1.00 0.00 H new ATOM 716 N GLY A 46 -4.327 7.559 -0.640 1.00 0.00 N ATOM 717 CA GLY A 46 -5.633 7.036 -0.234 1.00 0.00 C ATOM 718 C GLY A 46 -5.530 5.647 0.388 1.00 0.00 C ATOM 719 O GLY A 46 -4.462 5.044 0.428 1.00 0.00 O ATOM 0 H GLY A 46 -3.535 6.920 -0.581 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.090 7.720 0.482 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.292 6.996 -1.101 1.00 0.00 H new ATOM 723 N PHE A 47 -6.707 5.166 0.866 1.00 0.00 N ATOM 724 CA PHE A 47 -6.694 3.864 1.538 1.00 0.00 C ATOM 725 C PHE A 47 -6.621 2.695 0.533 1.00 0.00 C ATOM 726 O PHE A 47 -7.203 2.719 -0.545 1.00 0.00 O ATOM 727 CB PHE A 47 -7.946 3.683 2.438 1.00 0.00 C ATOM 728 CG PHE A 47 -8.013 4.697 3.597 1.00 0.00 C ATOM 729 CD1 PHE A 47 -7.240 4.499 4.781 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.831 5.858 3.486 1.00 0.00 C ATOM 731 CE1 PHE A 47 -7.286 5.455 5.834 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.840 6.839 4.519 1.00 0.00 C ATOM 733 CZ PHE A 47 -8.071 6.636 5.698 1.00 0.00 C ATOM 0 H PHE A 47 -7.613 5.630 0.802 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.797 3.847 2.157 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.843 3.781 1.826 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.948 2.673 2.847 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.619 3.621 4.878 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.450 5.996 2.611 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.723 5.285 6.740 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.430 7.736 4.407 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.082 7.374 6.487 1.00 0.00 H new ATOM 743 N ILE A 48 -5.863 1.671 0.997 1.00 0.00 N ATOM 744 CA ILE A 48 -5.645 0.434 0.251 1.00 0.00 C ATOM 745 C ILE A 48 -5.630 -0.728 1.260 1.00 0.00 C ATOM 746 O ILE A 48 -5.130 -0.570 2.359 1.00 0.00 O ATOM 747 CB ILE A 48 -4.321 0.534 -0.512 1.00 0.00 C ATOM 748 CG1 ILE A 48 -3.139 0.885 0.414 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.462 1.573 -1.632 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.837 0.214 -0.019 1.00 0.00 C ATOM 0 H ILE A 48 -5.391 1.692 1.901 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.437 0.263 -0.478 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.100 -0.443 -0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.000 1.966 0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.378 0.583 1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.522 1.648 -2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.255 1.267 -2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.709 2.543 -1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.038 0.495 0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.964 -0.869 -0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.580 0.536 -1.028 1.00 0.00 H new ATOM 762 N PRO A 49 -6.151 -1.922 0.900 1.00 0.00 N ATOM 763 CA PRO A 49 -6.175 -3.001 1.889 1.00 0.00 C ATOM 764 C PRO A 49 -4.864 -3.771 2.172 1.00 0.00 C ATOM 765 O PRO A 49 -4.014 -3.946 1.308 1.00 0.00 O ATOM 766 CB PRO A 49 -7.277 -3.940 1.429 1.00 0.00 C ATOM 767 CG PRO A 49 -7.756 -3.450 0.066 1.00 0.00 C ATOM 768 CD PRO A 49 -6.939 -2.226 -0.314 1.00 0.00 C ATOM 0 HA PRO A 49 -6.344 -2.538 2.861 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.906 -4.963 1.360 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.099 -3.947 2.145 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.637 -4.233 -0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.817 -3.202 0.103 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.292 -2.429 -1.168 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.581 -1.390 -0.592 1.00 0.00 H new ATOM 776 N LYS A 50 -4.846 -4.338 3.408 1.00 0.00 N ATOM 777 CA LYS A 50 -3.698 -5.130 3.850 1.00 0.00 C ATOM 778 C LYS A 50 -3.615 -6.439 3.050 1.00 0.00 C ATOM 779 O LYS A 50 -2.614 -6.691 2.390 1.00 0.00 O ATOM 780 CB LYS A 50 -3.906 -5.526 5.337 1.00 0.00 C ATOM 781 CG LYS A 50 -3.307 -4.519 6.310 1.00 0.00 C ATOM 782 CD LYS A 50 -2.519 -5.168 7.455 1.00 0.00 C ATOM 783 CE LYS A 50 -2.441 -4.252 8.681 1.00 0.00 C ATOM 784 NZ LYS A 50 -1.133 -4.237 9.331 1.00 0.00 N ATOM 0 H LYS A 50 -5.600 -4.257 4.091 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.794 -4.538 3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.973 -5.624 5.535 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.458 -6.504 5.513 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.648 -3.845 5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.108 -3.911 6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.992 -6.110 7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.511 -5.406 7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.697 -3.236 8.379 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.191 -4.568 9.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.083 -3.435 9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.995 -5.125 9.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.389 -4.140 8.611 1.00 0.00 H new ATOM 798 N ASN A 51 -4.710 -7.233 3.082 1.00 0.00 N ATOM 799 CA ASN A 51 -4.603 -8.479 2.315 1.00 0.00 C ATOM 800 C ASN A 51 -4.321 -8.312 0.790 1.00 0.00 C ATOM 801 O ASN A 51 -4.007 -9.302 0.145 1.00 0.00 O ATOM 802 CB ASN A 51 -5.700 -9.504 2.652 1.00 0.00 C ATOM 803 CG ASN A 51 -7.160 -9.019 2.659 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.797 -8.924 3.700 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.659 -8.766 1.441 1.00 0.00 N ATOM 0 H ASN A 51 -5.586 -7.058 3.575 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.676 -8.924 2.676 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.623 -10.323 1.937 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.480 -9.918 3.636 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.631 -8.473 1.339 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.067 -8.867 0.616 1.00 0.00 H new ATOM 812 N TYR A 52 -4.366 -7.066 0.251 1.00 0.00 N ATOM 813 CA TYR A 52 -4.017 -6.856 -1.172 1.00 0.00 C ATOM 814 C TYR A 52 -2.524 -6.435 -1.395 1.00 0.00 C ATOM 815 O TYR A 52 -2.116 -6.384 -2.543 1.00 0.00 O ATOM 816 CB TYR A 52 -4.961 -5.792 -1.791 1.00 0.00 C ATOM 817 CG TYR A 52 -6.277 -6.396 -2.317 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.112 -7.122 -1.418 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.686 -6.249 -3.682 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.314 -7.735 -1.870 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.885 -6.861 -4.150 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.720 -7.579 -3.232 1.00 0.00 C ATOM 823 OH TYR A 52 -9.952 -8.104 -3.677 1.00 0.00 O ATOM 0 H TYR A 52 -4.630 -6.223 0.760 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.145 -7.818 -1.669 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.188 -5.034 -1.041 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.446 -5.287 -2.608 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.828 -7.208 -0.379 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.080 -5.669 -4.363 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.917 -8.315 -1.187 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.163 -6.784 -5.191 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.281 -8.761 -3.028 1.00 0.00 H new ATOM 833 N ILE A 53 -1.749 -6.068 -0.341 1.00 0.00 N ATOM 834 CA ILE A 53 -0.340 -5.648 -0.576 1.00 0.00 C ATOM 835 C ILE A 53 0.601 -6.352 0.430 1.00 0.00 C ATOM 836 O ILE A 53 0.181 -6.903 1.440 1.00 0.00 O ATOM 837 CB ILE A 53 -0.146 -4.085 -0.655 1.00 0.00 C ATOM 838 CG1 ILE A 53 1.097 -3.514 0.086 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.385 -3.244 -0.337 1.00 0.00 C ATOM 840 CD1 ILE A 53 1.108 -2.020 0.319 1.00 0.00 C ATOM 0 H ILE A 53 -2.054 -6.053 0.632 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.057 -5.982 -1.574 1.00 0.00 H new ATOM 0 HB ILE A 53 0.048 -3.976 -1.722 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.178 -4.012 1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.987 -3.778 -0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.138 -2.186 -0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.181 -3.488 -1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.720 -3.458 0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.022 -1.740 0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.066 -1.502 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.244 -1.739 0.922 1.00 0.00 H new ATOM 852 N GLU A 54 1.903 -6.240 0.087 1.00 0.00 N ATOM 853 CA GLU A 54 2.978 -6.747 0.926 1.00 0.00 C ATOM 854 C GLU A 54 3.950 -5.567 1.111 1.00 0.00 C ATOM 855 O GLU A 54 4.244 -4.818 0.187 1.00 0.00 O ATOM 856 CB GLU A 54 3.690 -7.911 0.229 1.00 0.00 C ATOM 857 CG GLU A 54 4.979 -8.335 0.945 1.00 0.00 C ATOM 858 CD GLU A 54 5.290 -9.804 0.644 1.00 0.00 C ATOM 859 OE1 GLU A 54 4.421 -10.645 0.873 1.00 0.00 O ATOM 860 OE2 GLU A 54 6.392 -10.091 0.180 1.00 0.00 O ATOM 0 H GLU A 54 2.222 -5.797 -0.775 1.00 0.00 H new ATOM 0 HA GLU A 54 2.604 -7.119 1.880 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.013 -8.764 0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.927 -7.625 -0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.808 -7.706 0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.871 -8.191 2.020 1.00 0.00 H new ATOM 867 N MET A 55 4.390 -5.412 2.373 1.00 0.00 N ATOM 868 CA MET A 55 5.335 -4.346 2.692 1.00 0.00 C ATOM 869 C MET A 55 6.762 -4.845 2.410 1.00 0.00 C ATOM 870 O MET A 55 6.993 -6.029 2.200 1.00 0.00 O ATOM 871 CB MET A 55 5.227 -3.944 4.165 1.00 0.00 C ATOM 872 CG MET A 55 3.804 -3.738 4.643 1.00 0.00 C ATOM 873 SD MET A 55 3.679 -2.377 5.816 1.00 0.00 S ATOM 874 CE MET A 55 3.823 -1.064 4.598 1.00 0.00 C ATOM 0 H MET A 55 4.112 -5.996 3.162 1.00 0.00 H new ATOM 0 HA MET A 55 5.104 -3.476 2.077 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.697 -4.714 4.777 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.789 -3.024 4.322 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.159 -3.540 3.787 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.442 -4.654 5.110 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.379 -0.150 4.994 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.875 -0.889 4.374 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.302 -1.355 3.686 1.00 0.00 H new ATOM 884 N LYS A 56 7.708 -3.889 2.415 1.00 0.00 N ATOM 885 CA LYS A 56 9.083 -4.304 2.179 1.00 0.00 C ATOM 886 C LYS A 56 10.089 -3.310 2.799 1.00 0.00 C ATOM 887 O LYS A 56 10.430 -2.292 2.206 1.00 0.00 O ATOM 888 CB LYS A 56 9.340 -4.435 0.671 1.00 0.00 C ATOM 889 CG LYS A 56 8.830 -5.758 0.087 1.00 0.00 C ATOM 890 CD LYS A 56 9.537 -6.132 -1.225 1.00 0.00 C ATOM 891 CE LYS A 56 10.759 -7.047 -1.070 1.00 0.00 C ATOM 892 NZ LYS A 56 11.704 -6.861 -2.168 1.00 0.00 N ATOM 0 H LYS A 56 7.555 -2.892 2.569 1.00 0.00 H new ATOM 0 HA LYS A 56 9.227 -5.272 2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.858 -3.606 0.153 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.410 -4.350 0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.978 -6.555 0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.757 -5.684 -0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.817 -6.622 -1.880 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.850 -5.215 -1.724 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.254 -6.838 -0.122 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.435 -8.087 -1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.519 -7.493 -2.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.236 -7.084 -3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.030 -5.874 -2.182 1.00 0.00 H new ATOM 906 N PRO A 57 10.498 -3.628 4.061 1.00 0.00 N ATOM 907 CA PRO A 57 11.546 -2.872 4.741 1.00 0.00 C ATOM 908 C PRO A 57 12.924 -3.369 4.230 1.00 0.00 C ATOM 909 O PRO A 57 13.038 -3.846 3.108 1.00 0.00 O ATOM 910 CB PRO A 57 11.289 -3.087 6.250 1.00 0.00 C ATOM 911 CG PRO A 57 10.009 -3.920 6.373 1.00 0.00 C ATOM 912 CD PRO A 57 9.699 -4.444 4.970 1.00 0.00 C ATOM 0 HA PRO A 57 11.541 -1.800 4.542 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.130 -3.602 6.715 1.00 0.00 H new ATOM 0 HB3 PRO A 57 11.178 -2.131 6.762 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.147 -4.744 7.073 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.186 -3.314 6.752 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.958 -5.499 4.880 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.636 -4.356 4.745 1.00 0.00 H new TER 920 PRO A 57 HETATM 921 C ACE B 0 -7.268 -13.563 -9.414 1.00 0.00 C HETATM 922 O ACE B 0 -6.265 -13.408 -8.733 1.00 0.00 O HETATM 923 CH3 ACE B 0 -7.509 -12.738 -10.675 1.00 0.00 C HETATM 0 H1 ACE B 0 -7.588 -13.403 -11.535 1.00 0.00 H new HETATM 0 H2 ACE B 0 -8.434 -12.172 -10.568 1.00 0.00 H new HETATM 0 H3 ACE B 0 -6.677 -12.049 -10.824 1.00 0.00 H new ATOM 927 N VAL B 1 -8.278 -14.401 -9.113 1.00 0.00 N ATOM 928 CA VAL B 1 -9.369 -13.984 -8.233 1.00 0.00 C ATOM 929 C VAL B 1 -8.777 -13.520 -6.880 1.00 0.00 C ATOM 930 O VAL B 1 -8.222 -14.319 -6.131 1.00 0.00 O ATOM 931 CB VAL B 1 -10.366 -15.140 -8.094 1.00 0.00 C ATOM 932 CG1 VAL B 1 -11.408 -14.869 -7.009 1.00 0.00 C ATOM 933 CG2 VAL B 1 -11.082 -15.370 -9.429 1.00 0.00 C ATOM 0 H VAL B 1 -8.355 -15.356 -9.464 1.00 0.00 H new ATOM 0 HA VAL B 1 -9.916 -13.138 -8.648 1.00 0.00 H new ATOM 0 HB VAL B 1 -9.800 -16.027 -7.808 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -12.094 -15.713 -6.944 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -10.908 -14.734 -6.050 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -11.966 -13.966 -7.258 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -11.790 -16.193 -9.325 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -11.617 -14.465 -9.715 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -10.349 -15.617 -10.197 1.00 0.00 H new ATOM 943 N PRO B 2 -8.793 -12.177 -6.658 1.00 0.00 N ATOM 944 CA PRO B 2 -8.276 -11.641 -5.422 1.00 0.00 C ATOM 945 C PRO B 2 -9.094 -11.908 -4.147 1.00 0.00 C ATOM 946 O PRO B 2 -10.299 -12.129 -4.185 1.00 0.00 O ATOM 947 CB PRO B 2 -8.096 -10.133 -5.645 1.00 0.00 C ATOM 948 CG PRO B 2 -8.325 -9.874 -7.128 1.00 0.00 C ATOM 949 CD PRO B 2 -8.954 -11.149 -7.694 1.00 0.00 C ATOM 0 HA PRO B 2 -7.345 -12.168 -5.214 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.804 -9.566 -5.040 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -7.097 -9.815 -5.347 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.982 -9.017 -7.276 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -7.386 -9.646 -7.633 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -10.007 -10.993 -7.928 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -8.463 -11.448 -8.620 1.00 0.00 H new ATOM 957 N PRO B 3 -8.359 -11.848 -2.994 1.00 0.00 N ATOM 958 CA PRO B 3 -8.969 -12.011 -1.675 1.00 0.00 C ATOM 959 C PRO B 3 -10.203 -11.130 -1.412 1.00 0.00 C ATOM 960 O PRO B 3 -10.376 -10.069 -1.994 1.00 0.00 O ATOM 961 CB PRO B 3 -7.860 -11.524 -0.708 1.00 0.00 C ATOM 962 CG PRO B 3 -6.535 -11.680 -1.453 1.00 0.00 C ATOM 963 CD PRO B 3 -6.889 -11.751 -2.938 1.00 0.00 C ATOM 0 HA PRO B 3 -9.310 -13.040 -1.564 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -8.024 -10.485 -0.422 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.860 -12.112 0.210 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.873 -10.838 -1.250 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.012 -12.581 -1.134 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.535 -10.867 -3.468 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.421 -12.615 -3.411 1.00 0.00 H new ATOM 971 N PRO B 4 -11.017 -11.577 -0.414 1.00 0.00 N ATOM 972 CA PRO B 4 -12.180 -10.802 0.007 1.00 0.00 C ATOM 973 C PRO B 4 -11.589 -9.594 0.733 1.00 0.00 C ATOM 974 O PRO B 4 -10.897 -9.751 1.732 1.00 0.00 O ATOM 975 CB PRO B 4 -12.871 -11.678 1.064 1.00 0.00 C ATOM 976 CG PRO B 4 -11.800 -12.657 1.555 1.00 0.00 C ATOM 977 CD PRO B 4 -10.748 -12.730 0.445 1.00 0.00 C ATOM 0 HA PRO B 4 -12.856 -10.516 -0.799 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.254 -11.072 1.885 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.721 -12.210 0.637 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.357 -12.313 2.489 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.230 -13.640 1.749 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.739 -12.689 0.855 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.827 -13.663 -0.112 1.00 0.00 H new ATOM 985 N VAL B 5 -11.893 -8.403 0.197 1.00 0.00 N ATOM 986 CA VAL B 5 -11.345 -7.199 0.798 1.00 0.00 C ATOM 987 C VAL B 5 -11.890 -7.082 2.239 1.00 0.00 C ATOM 988 O VAL B 5 -12.959 -7.599 2.538 1.00 0.00 O ATOM 989 CB VAL B 5 -11.692 -5.992 -0.057 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.866 -4.768 0.317 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.482 -6.144 -1.537 1.00 0.00 C ATOM 0 H VAL B 5 -12.490 -8.258 -0.617 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.257 -7.246 0.848 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.757 -5.884 0.150 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -11.148 -3.930 -0.320 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -11.051 -4.509 1.360 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.807 -4.988 0.180 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.764 -5.220 -2.041 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.432 -6.360 -1.735 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.098 -6.963 -1.910 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.079 -6.485 3.146 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.508 -6.329 4.515 1.00 0.00 C ATOM 1003 C PRO B 6 -12.667 -5.369 4.740 1.00 0.00 C ATOM 1004 O PRO B 6 -12.958 -4.502 3.924 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.293 -5.752 5.249 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.088 -5.850 4.325 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.658 -6.216 2.966 1.00 0.00 C ATOM 0 HA PRO B 6 -11.863 -7.299 4.862 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.475 -4.714 5.527 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.110 -6.302 6.172 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.546 -4.905 4.283 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.385 -6.606 4.674 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.509 -5.403 2.256 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.150 -7.091 2.560 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.261 -5.517 5.959 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.319 -4.612 6.372 1.00 0.00 C ATOM 1017 C PRO B 7 -13.697 -3.234 6.674 1.00 0.00 C ATOM 1018 O PRO B 7 -12.867 -3.109 7.565 1.00 0.00 O ATOM 1019 CB PRO B 7 -14.847 -5.212 7.695 1.00 0.00 C ATOM 1020 CG PRO B 7 -13.793 -6.225 8.167 1.00 0.00 C ATOM 1021 CD PRO B 7 -12.986 -6.590 6.925 1.00 0.00 C ATOM 0 HA PRO B 7 -15.097 -4.496 5.617 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -14.997 -4.432 8.442 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -15.811 -5.698 7.543 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -13.153 -5.794 8.937 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -14.264 -7.107 8.601 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -11.922 -6.653 7.151 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -13.286 -7.561 6.531 1.00 0.00 H new ATOM 1029 N ARG B 8 -14.151 -2.209 5.917 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.632 -0.853 6.159 1.00 0.00 C ATOM 1031 C ARG B 8 -14.594 -0.104 7.096 1.00 0.00 C ATOM 1032 O ARG B 8 -15.274 0.849 6.740 1.00 0.00 O ATOM 1033 CB ARG B 8 -13.305 -0.039 4.892 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.740 -0.611 3.539 1.00 0.00 C ATOM 1035 CD ARG B 8 -15.083 -0.053 3.035 1.00 0.00 C ATOM 1036 NE ARG B 8 -16.206 -0.879 3.461 1.00 0.00 N ATOM 1037 CZ ARG B 8 -17.492 -0.476 3.330 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -17.840 0.587 2.605 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -18.449 -1.173 3.926 1.00 0.00 N ATOM 0 H ARG B 8 -14.841 -2.290 5.170 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.660 -0.972 6.638 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -13.760 0.945 5.001 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -12.226 0.111 4.860 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -12.968 -0.399 2.799 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -13.814 -1.695 3.620 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -15.217 0.963 3.407 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -15.067 0.006 1.947 1.00 0.00 H new ATOM 0 HE ARG B 8 -16.016 -1.793 3.872 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -17.125 1.131 2.122 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -18.821 0.856 2.533 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -18.212 -2.000 4.474 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -19.423 -0.882 3.837 1.00 0.00 H new ATOM 1053 N ARG B 9 -14.574 -0.650 8.323 1.00 0.00 N ATOM 1054 CA ARG B 9 -15.338 -0.235 9.478 1.00 0.00 C ATOM 1055 C ARG B 9 -15.243 -1.390 10.490 1.00 0.00 C ATOM 1056 O ARG B 9 -16.087 -2.273 10.563 1.00 0.00 O ATOM 1057 CB ARG B 9 -16.770 0.158 9.128 1.00 0.00 C ATOM 1058 CG ARG B 9 -17.568 -0.865 8.315 1.00 0.00 C ATOM 1059 CD ARG B 9 -18.846 -0.244 7.710 1.00 0.00 C ATOM 1060 NE ARG B 9 -20.063 -0.827 8.277 1.00 0.00 N ATOM 1061 CZ ARG B 9 -20.748 -0.297 9.319 1.00 0.00 C ATOM 1062 NH1 ARG B 9 -20.463 0.905 9.812 1.00 0.00 N ATOM 1063 NH2 ARG B 9 -21.754 -0.985 9.848 1.00 0.00 N ATOM 0 H ARG B 9 -13.976 -1.449 8.533 1.00 0.00 H new ATOM 0 HA ARG B 9 -14.930 0.678 9.912 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -17.308 0.355 10.055 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -16.743 1.094 8.570 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -16.943 -1.262 7.515 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -17.839 -1.705 8.954 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -18.844 0.832 7.886 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -18.843 -0.391 6.630 1.00 0.00 H new ATOM 0 HE ARG B 9 -20.418 -1.688 7.861 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -19.709 1.458 9.405 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -20.999 1.274 10.597 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -22.001 -1.899 9.469 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -22.279 -0.599 10.633 1.00 0.00 H new ATOM 1077 N ARG B 10 -14.115 -1.299 11.229 1.00 0.00 N ATOM 1078 CA ARG B 10 -13.645 -2.200 12.288 1.00 0.00 C ATOM 1079 C ARG B 10 -14.689 -3.243 12.716 1.00 0.00 C ATOM 1080 O ARG B 10 -14.524 -4.449 12.592 1.00 0.00 O ATOM 1081 CB ARG B 10 -13.107 -1.400 13.496 1.00 0.00 C ATOM 1082 CG ARG B 10 -11.713 -1.872 13.914 1.00 0.00 C ATOM 1083 CD ARG B 10 -10.600 -1.003 13.309 1.00 0.00 C ATOM 1084 NE ARG B 10 -9.422 -1.020 14.165 1.00 0.00 N ATOM 1085 CZ ARG B 10 -9.362 -0.379 15.357 1.00 0.00 C ATOM 1086 NH1 ARG B 10 -10.331 0.430 15.784 1.00 0.00 N ATOM 1087 NH2 ARG B 10 -8.297 -0.570 16.124 1.00 0.00 N ATOM 0 H ARG B 10 -13.462 -0.529 11.083 1.00 0.00 H new ATOM 0 HA ARG B 10 -12.822 -2.772 11.860 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -13.071 -0.340 13.244 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -13.793 -1.505 14.336 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -11.636 -1.853 15.001 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -11.573 -2.907 13.602 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -10.341 -1.371 12.316 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -10.954 0.021 13.187 1.00 0.00 H new ATOM 0 HE ARG B 10 -8.602 -1.540 13.852 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -11.157 0.586 15.206 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -10.247 0.894 16.689 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -7.548 -1.188 15.812 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -8.227 -0.099 17.026 1.00 0.00 H new HETATM 1101 N NH2 B 11 -15.752 -2.641 13.252 1.00 0.00 N TER 1104 NH2 B 11