USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 457 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 CYS SG : rot 140:sc= -2.95! USER MOD Set 1.2: A 24 CYS SG : rot 180:sc= 0.169 USER MOD Single : A 1 MET CE :methyl 168:sc= 0 (180deg=-0.266) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.88 (180deg=-1.14!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -40:sc= -0.0345 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0844 USER MOD Single : A 20 LYS NZ :NH3+ 160:sc= -0.0292 (180deg=-0.281) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 167:sc=-0.00151 (180deg=-0.0674) USER MOD Single : A 26 CYS SG : rot 180:sc= 0.0156 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.754 K(o=-0.75,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -5.66! K(o=-5.7!,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.536 -12.585 5.832 1.00 0.00 N ATOM 2 CA MET A 1 -8.158 -12.102 5.552 1.00 0.00 C ATOM 3 C MET A 1 -8.021 -10.615 5.862 1.00 0.00 C ATOM 4 O MET A 1 -8.887 -10.022 6.505 1.00 0.00 O ATOM 5 CB MET A 1 -7.842 -12.365 4.078 1.00 0.00 C ATOM 6 CG MET A 1 -8.883 -11.804 3.123 1.00 0.00 C ATOM 7 SD MET A 1 -9.503 -13.040 1.966 1.00 0.00 S ATOM 8 CE MET A 1 -10.609 -13.968 3.024 1.00 0.00 C ATOM 0 H1 MET A 1 -9.665 -13.528 5.412 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.682 -12.641 6.860 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.226 -11.925 5.419 1.00 0.00 H new ATOM 0 HA MET A 1 -7.454 -12.636 6.190 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.871 -11.930 3.840 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.757 -13.440 3.919 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.716 -11.399 3.697 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.448 -10.975 2.564 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.227 -14.628 2.415 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.026 -14.563 3.727 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.248 -13.279 3.576 1.00 0.00 H new ATOM 20 N TYR A 2 -6.927 -10.019 5.396 1.00 0.00 N ATOM 21 CA TYR A 2 -6.678 -8.599 5.618 1.00 0.00 C ATOM 22 C TYR A 2 -6.376 -7.890 4.302 1.00 0.00 C ATOM 23 O TYR A 2 -5.983 -8.519 3.319 1.00 0.00 O ATOM 24 CB TYR A 2 -5.514 -8.408 6.595 1.00 0.00 C ATOM 25 CG TYR A 2 -5.950 -8.136 8.018 1.00 0.00 C ATOM 26 CD1 TYR A 2 -6.694 -9.070 8.730 1.00 0.00 C ATOM 27 CD2 TYR A 2 -5.612 -6.946 8.651 1.00 0.00 C ATOM 28 CE1 TYR A 2 -7.091 -8.822 10.030 1.00 0.00 C ATOM 29 CE2 TYR A 2 -6.005 -6.692 9.951 1.00 0.00 C ATOM 30 CZ TYR A 2 -6.744 -7.634 10.637 1.00 0.00 C ATOM 31 OH TYR A 2 -7.139 -7.384 11.931 1.00 0.00 O ATOM 0 H TYR A 2 -6.200 -10.497 4.863 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.578 -8.160 6.049 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -4.889 -9.301 6.581 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -4.894 -7.580 6.250 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -6.966 -10.004 8.260 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.032 -6.207 8.118 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.671 -9.556 10.569 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -5.735 -5.761 10.428 1.00 0.00 H new ATOM 0 HH TYR A 2 -6.811 -6.503 12.209 1.00 0.00 H new ATOM 41 N ILE A 3 -6.581 -6.579 4.289 1.00 0.00 N ATOM 42 CA ILE A 3 -6.350 -5.771 3.099 1.00 0.00 C ATOM 43 C ILE A 3 -5.460 -4.574 3.418 1.00 0.00 C ATOM 44 O ILE A 3 -5.350 -4.164 4.574 1.00 0.00 O ATOM 45 CB ILE A 3 -7.677 -5.252 2.514 1.00 0.00 C ATOM 46 CG1 ILE A 3 -8.476 -4.515 3.590 1.00 0.00 C ATOM 47 CG2 ILE A 3 -8.495 -6.395 1.936 1.00 0.00 C ATOM 48 CD1 ILE A 3 -9.398 -3.453 3.035 1.00 0.00 C ATOM 0 H ILE A 3 -6.910 -6.049 5.096 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.856 -6.412 2.369 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.449 -4.555 1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.065 -5.239 4.153 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.783 -4.052 4.293 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.428 -6.005 1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.929 -6.883 1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.716 -7.118 2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.933 -2.971 3.854 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.812 -2.708 2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.115 -3.913 2.354 1.00 0.00 H new ATOM 60 N ILE A 4 -4.853 -3.997 2.387 1.00 0.00 N ATOM 61 CA ILE A 4 -4.003 -2.826 2.561 1.00 0.00 C ATOM 62 C ILE A 4 -4.461 -1.701 1.630 1.00 0.00 C ATOM 63 O ILE A 4 -5.024 -1.954 0.565 1.00 0.00 O ATOM 64 CB ILE A 4 -2.515 -3.178 2.313 1.00 0.00 C ATOM 65 CG1 ILE A 4 -1.908 -3.800 3.574 1.00 0.00 C ATOM 66 CG2 ILE A 4 -1.709 -1.956 1.896 1.00 0.00 C ATOM 67 CD1 ILE A 4 -1.975 -5.311 3.601 1.00 0.00 C ATOM 0 H ILE A 4 -4.934 -4.321 1.423 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.094 -2.483 3.592 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.475 -3.897 1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.866 -3.490 3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.427 -3.407 4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.671 -2.244 1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.122 -1.545 0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.756 -1.203 2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.526 -5.679 4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.016 -5.630 3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.431 -5.715 2.747 1.00 0.00 H new ATOM 79 N PHE A 5 -4.263 -0.458 2.055 1.00 0.00 N ATOM 80 CA PHE A 5 -4.692 0.694 1.267 1.00 0.00 C ATOM 81 C PHE A 5 -3.699 1.844 1.394 1.00 0.00 C ATOM 82 O PHE A 5 -2.559 1.642 1.811 1.00 0.00 O ATOM 83 CB PHE A 5 -6.083 1.160 1.708 1.00 0.00 C ATOM 84 CG PHE A 5 -6.493 0.690 3.074 1.00 0.00 C ATOM 85 CD1 PHE A 5 -7.057 -0.564 3.253 1.00 0.00 C ATOM 86 CD2 PHE A 5 -6.350 1.517 4.174 1.00 0.00 C ATOM 87 CE1 PHE A 5 -7.444 -0.991 4.508 1.00 0.00 C ATOM 88 CE2 PHE A 5 -6.746 1.099 5.429 1.00 0.00 C ATOM 89 CZ PHE A 5 -7.287 -0.158 5.597 1.00 0.00 C ATOM 0 H PHE A 5 -3.810 -0.222 2.938 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.734 0.385 0.223 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.110 2.249 1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.817 0.810 0.982 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.195 -1.214 2.402 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.923 2.501 4.050 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.869 -1.975 4.637 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.632 1.756 6.278 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.588 -0.490 6.580 1.00 0.00 H new ATOM 99 N ARG A 6 -4.131 3.051 1.027 1.00 0.00 N ATOM 100 CA ARG A 6 -3.254 4.216 1.091 1.00 0.00 C ATOM 101 C ARG A 6 -4.002 5.463 1.552 1.00 0.00 C ATOM 102 O ARG A 6 -5.072 5.788 1.037 1.00 0.00 O ATOM 103 CB ARG A 6 -2.618 4.471 -0.277 1.00 0.00 C ATOM 104 CG ARG A 6 -1.469 3.530 -0.596 1.00 0.00 C ATOM 105 CD ARG A 6 -1.152 3.512 -2.084 1.00 0.00 C ATOM 106 NE ARG A 6 -2.332 3.779 -2.903 1.00 0.00 N ATOM 107 CZ ARG A 6 -2.405 4.766 -3.793 1.00 0.00 C ATOM 108 NH1 ARG A 6 -1.370 5.574 -3.979 1.00 0.00 N ATOM 109 NH2 ARG A 6 -3.513 4.943 -4.498 1.00 0.00 N ATOM 0 H ARG A 6 -5.073 3.245 0.686 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.476 4.002 1.823 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.382 4.373 -1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.257 5.499 -0.315 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.583 3.836 -0.039 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.721 2.522 -0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.386 4.257 -2.300 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.737 2.541 -2.354 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.146 3.175 -2.786 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.515 5.440 -3.439 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.429 6.329 -4.662 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.311 4.323 -4.359 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.568 5.700 -5.180 1.00 0.00 H new ATOM 123 N CYS A 7 -3.417 6.169 2.518 1.00 0.00 N ATOM 124 CA CYS A 7 -4.002 7.399 3.025 1.00 0.00 C ATOM 125 C CYS A 7 -3.749 8.541 2.049 1.00 0.00 C ATOM 126 O CYS A 7 -2.884 8.432 1.179 1.00 0.00 O ATOM 127 CB CYS A 7 -3.418 7.736 4.398 1.00 0.00 C ATOM 128 SG CYS A 7 -4.331 9.008 5.301 1.00 0.00 S ATOM 0 H CYS A 7 -2.537 5.906 2.963 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.078 7.259 3.129 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.390 6.828 5.001 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.387 8.066 4.271 1.00 0.00 H new ATOM 0 HG CYS A 7 -4.404 8.681 6.557 1.00 0.00 H new ATOM 134 N ASP A 8 -4.461 9.651 2.229 1.00 0.00 N ATOM 135 CA ASP A 8 -4.322 10.797 1.337 1.00 0.00 C ATOM 136 C ASP A 8 -2.912 11.367 1.406 1.00 0.00 C ATOM 137 O ASP A 8 -2.401 11.912 0.427 1.00 0.00 O ATOM 138 CB ASP A 8 -5.341 11.880 1.698 1.00 0.00 C ATOM 139 CG ASP A 8 -5.537 12.885 0.579 1.00 0.00 C ATOM 140 OD1 ASP A 8 -6.204 12.539 -0.418 1.00 0.00 O ATOM 141 OD2 ASP A 8 -5.023 14.016 0.701 1.00 0.00 O ATOM 0 H ASP A 8 -5.137 9.780 2.982 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.510 10.458 0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.297 11.412 1.934 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.011 12.401 2.597 1.00 0.00 H new ATOM 146 N CYS A 9 -2.278 11.216 2.563 1.00 0.00 N ATOM 147 CA CYS A 9 -0.906 11.669 2.749 1.00 0.00 C ATOM 148 C CYS A 9 0.063 10.742 2.020 1.00 0.00 C ATOM 149 O CYS A 9 1.281 10.888 2.125 1.00 0.00 O ATOM 150 CB CYS A 9 -0.565 11.710 4.238 1.00 0.00 C ATOM 151 SG CYS A 9 0.997 12.536 4.621 1.00 0.00 S ATOM 0 H CYS A 9 -2.694 10.782 3.387 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.812 12.672 2.334 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.370 12.217 4.769 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.525 10.689 4.618 1.00 0.00 H new ATOM 0 HG CYS A 9 1.891 12.206 3.737 1.00 0.00 H new ATOM 157 N GLY A 10 -0.496 9.776 1.296 1.00 0.00 N ATOM 158 CA GLY A 10 0.317 8.804 0.589 1.00 0.00 C ATOM 159 C GLY A 10 0.748 7.675 1.501 1.00 0.00 C ATOM 160 O GLY A 10 1.718 6.971 1.219 1.00 0.00 O ATOM 0 H GLY A 10 -1.502 9.650 1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.246 8.399 -0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.197 9.296 0.176 1.00 0.00 H new ATOM 164 N ARG A 11 0.058 7.551 2.630 1.00 0.00 N ATOM 165 CA ARG A 11 0.371 6.519 3.616 1.00 0.00 C ATOM 166 C ARG A 11 -0.217 5.169 3.218 1.00 0.00 C ATOM 167 O ARG A 11 -0.576 4.951 2.062 1.00 0.00 O ATOM 168 CB ARG A 11 -0.147 6.930 4.996 1.00 0.00 C ATOM 169 CG ARG A 11 0.115 8.387 5.337 1.00 0.00 C ATOM 170 CD ARG A 11 -0.499 8.766 6.675 1.00 0.00 C ATOM 171 NE ARG A 11 0.489 8.762 7.751 1.00 0.00 N ATOM 172 CZ ARG A 11 0.332 8.101 8.894 1.00 0.00 C ATOM 173 NH1 ARG A 11 -0.767 7.393 9.110 1.00 0.00 N ATOM 174 NH2 ARG A 11 1.277 8.149 9.823 1.00 0.00 N ATOM 0 H ARG A 11 -0.724 8.153 2.887 1.00 0.00 H new ATOM 0 HA ARG A 11 1.455 6.415 3.655 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.220 6.742 5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.320 6.299 5.752 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.190 8.568 5.365 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.295 9.024 4.554 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.949 9.756 6.600 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.301 8.068 6.917 1.00 0.00 H new ATOM 0 HE ARG A 11 1.348 9.296 7.618 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.496 7.354 8.398 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.884 6.887 9.988 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.124 8.693 9.661 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.156 7.642 10.700 1.00 0.00 H new ATOM 188 N ALA A 12 -0.297 4.261 4.190 1.00 0.00 N ATOM 189 CA ALA A 12 -0.854 2.931 3.967 1.00 0.00 C ATOM 190 C ALA A 12 -1.319 2.316 5.285 1.00 0.00 C ATOM 191 O ALA A 12 -0.713 2.549 6.331 1.00 0.00 O ATOM 192 CB ALA A 12 0.172 2.033 3.294 1.00 0.00 C ATOM 0 H ALA A 12 0.020 4.426 5.145 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.718 3.025 3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.259 1.044 3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.458 2.463 2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.053 1.947 3.930 1.00 0.00 H new ATOM 198 N LEU A 13 -2.396 1.534 5.235 1.00 0.00 N ATOM 199 CA LEU A 13 -2.919 0.888 6.438 1.00 0.00 C ATOM 200 C LEU A 13 -3.450 -0.513 6.133 1.00 0.00 C ATOM 201 O LEU A 13 -3.332 -1.000 5.009 1.00 0.00 O ATOM 202 CB LEU A 13 -4.022 1.742 7.064 1.00 0.00 C ATOM 203 CG LEU A 13 -3.531 2.872 7.972 1.00 0.00 C ATOM 204 CD1 LEU A 13 -4.269 4.165 7.661 1.00 0.00 C ATOM 205 CD2 LEU A 13 -3.709 2.493 9.435 1.00 0.00 C ATOM 0 H LEU A 13 -2.920 1.333 4.383 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.097 0.791 7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.623 2.175 6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.680 1.092 7.642 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.469 3.030 7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.907 4.957 8.316 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.092 4.444 6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.338 4.022 7.821 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.355 3.307 10.067 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.764 2.309 9.637 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.136 1.591 9.650 1.00 0.00 H new ATOM 217 N TYR A 14 -4.025 -1.157 7.148 1.00 0.00 N ATOM 218 CA TYR A 14 -4.564 -2.509 7.001 1.00 0.00 C ATOM 219 C TYR A 14 -5.916 -2.645 7.701 1.00 0.00 C ATOM 220 O TYR A 14 -6.130 -2.078 8.772 1.00 0.00 O ATOM 221 CB TYR A 14 -3.580 -3.534 7.571 1.00 0.00 C ATOM 222 CG TYR A 14 -3.119 -3.222 8.978 1.00 0.00 C ATOM 223 CD1 TYR A 14 -3.842 -3.660 10.081 1.00 0.00 C ATOM 224 CD2 TYR A 14 -1.955 -2.497 9.202 1.00 0.00 C ATOM 225 CE1 TYR A 14 -3.423 -3.378 11.366 1.00 0.00 C ATOM 226 CE2 TYR A 14 -1.529 -2.213 10.487 1.00 0.00 C ATOM 227 CZ TYR A 14 -2.266 -2.655 11.564 1.00 0.00 C ATOM 228 OH TYR A 14 -1.846 -2.373 12.843 1.00 0.00 O ATOM 0 H TYR A 14 -4.130 -0.763 8.083 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.709 -2.698 5.937 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.049 -4.518 7.562 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.709 -3.590 6.918 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.747 -4.230 9.931 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.374 -2.150 8.360 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.999 -3.722 12.212 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.623 -1.647 10.645 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.014 -1.857 12.808 1.00 0.00 H new ATOM 238 N SER A 15 -6.823 -3.405 7.090 1.00 0.00 N ATOM 239 CA SER A 15 -8.150 -3.634 7.660 1.00 0.00 C ATOM 240 C SER A 15 -8.743 -4.938 7.135 1.00 0.00 C ATOM 241 O SER A 15 -8.069 -5.699 6.445 1.00 0.00 O ATOM 242 CB SER A 15 -9.084 -2.468 7.329 1.00 0.00 C ATOM 243 OG SER A 15 -10.295 -2.556 8.060 1.00 0.00 O ATOM 0 H SER A 15 -6.663 -3.874 6.198 1.00 0.00 H new ATOM 0 HA SER A 15 -8.046 -3.707 8.743 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.587 -1.525 7.556 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.301 -2.465 6.261 1.00 0.00 H new ATOM 0 HG SER A 15 -10.872 -1.798 7.830 1.00 0.00 H new ATOM 249 N ARG A 16 -10.000 -5.199 7.475 1.00 0.00 N ATOM 250 CA ARG A 16 -10.673 -6.412 7.024 1.00 0.00 C ATOM 251 C ARG A 16 -11.079 -6.299 5.558 1.00 0.00 C ATOM 252 O ARG A 16 -11.389 -5.210 5.072 1.00 0.00 O ATOM 253 CB ARG A 16 -11.901 -6.698 7.888 1.00 0.00 C ATOM 254 CG ARG A 16 -13.048 -5.726 7.666 1.00 0.00 C ATOM 255 CD ARG A 16 -14.371 -6.458 7.511 1.00 0.00 C ATOM 256 NE ARG A 16 -15.239 -5.822 6.524 1.00 0.00 N ATOM 257 CZ ARG A 16 -16.425 -5.297 6.814 1.00 0.00 C ATOM 258 NH1 ARG A 16 -16.883 -5.329 8.058 1.00 0.00 N ATOM 259 NH2 ARG A 16 -17.156 -4.738 5.858 1.00 0.00 N ATOM 0 H ARG A 16 -10.572 -4.590 8.059 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.972 -7.240 7.124 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.250 -7.710 7.683 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.610 -6.668 8.938 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -13.109 -5.034 8.506 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.854 -5.129 6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.181 -7.490 7.215 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.881 -6.491 8.474 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.917 -5.778 5.557 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -16.325 -5.758 8.796 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.794 -4.925 8.277 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -16.808 -4.711 4.900 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -18.066 -4.335 6.081 1.00 0.00 H new ATOM 273 N GLU A 17 -11.072 -7.430 4.859 1.00 0.00 N ATOM 274 CA GLU A 17 -11.447 -7.464 3.450 1.00 0.00 C ATOM 275 C GLU A 17 -12.838 -6.876 3.237 1.00 0.00 C ATOM 276 O GLU A 17 -13.843 -7.492 3.594 1.00 0.00 O ATOM 277 CB GLU A 17 -11.405 -8.902 2.925 1.00 0.00 C ATOM 278 CG GLU A 17 -11.343 -8.995 1.409 1.00 0.00 C ATOM 279 CD GLU A 17 -12.708 -9.193 0.781 1.00 0.00 C ATOM 280 OE1 GLU A 17 -13.302 -10.274 0.978 1.00 0.00 O ATOM 281 OE2 GLU A 17 -13.185 -8.266 0.092 1.00 0.00 O ATOM 0 H GLU A 17 -10.810 -8.336 5.247 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.729 -6.858 2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.537 -9.409 3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.288 -9.435 3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.892 -8.086 1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.693 -9.823 1.126 1.00 0.00 H new ATOM 288 N GLY A 18 -12.890 -5.682 2.652 1.00 0.00 N ATOM 289 CA GLY A 18 -14.165 -5.039 2.396 1.00 0.00 C ATOM 290 C GLY A 18 -14.128 -3.542 2.637 1.00 0.00 C ATOM 291 O GLY A 18 -15.102 -2.840 2.360 1.00 0.00 O ATOM 0 H GLY A 18 -12.073 -5.150 2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -14.462 -5.229 1.365 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -14.927 -5.486 3.034 1.00 0.00 H new ATOM 295 N ALA A 19 -13.012 -3.052 3.168 1.00 0.00 N ATOM 296 CA ALA A 19 -12.860 -1.629 3.441 1.00 0.00 C ATOM 297 C ALA A 19 -12.633 -0.847 2.154 1.00 0.00 C ATOM 298 O ALA A 19 -11.588 -0.972 1.517 1.00 0.00 O ATOM 299 CB ALA A 19 -11.719 -1.392 4.417 1.00 0.00 C ATOM 0 H ALA A 19 -12.202 -3.619 3.417 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.784 -1.272 3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.620 -0.324 4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.927 -1.911 5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.790 -1.771 3.990 1.00 0.00 H new ATOM 305 N LYS A 20 -13.626 -0.053 1.767 1.00 0.00 N ATOM 306 CA LYS A 20 -13.535 0.753 0.557 1.00 0.00 C ATOM 307 C LYS A 20 -12.922 2.116 0.858 1.00 0.00 C ATOM 308 O LYS A 20 -12.096 2.619 0.095 1.00 0.00 O ATOM 309 CB LYS A 20 -14.921 0.931 -0.067 1.00 0.00 C ATOM 310 CG LYS A 20 -15.177 0.017 -1.255 1.00 0.00 C ATOM 311 CD LYS A 20 -15.265 -1.441 -0.832 1.00 0.00 C ATOM 312 CE LYS A 20 -16.697 -1.848 -0.529 1.00 0.00 C ATOM 313 NZ LYS A 20 -17.533 -1.901 -1.761 1.00 0.00 N ATOM 0 H LYS A 20 -14.504 0.049 2.276 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.890 0.232 -0.150 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.679 0.745 0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.036 1.967 -0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.104 0.310 -1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.377 0.137 -1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.865 -2.075 -1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.645 -1.603 0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.702 -2.825 -0.045 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.134 -1.141 0.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.373 -2.488 -1.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.831 -0.939 -2.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.979 -2.313 -2.539 1.00 0.00 H new ATOM 327 N THR A 21 -13.332 2.710 1.974 1.00 0.00 N ATOM 328 CA THR A 21 -12.824 4.016 2.371 1.00 0.00 C ATOM 329 C THR A 21 -12.706 4.128 3.887 1.00 0.00 C ATOM 330 O THR A 21 -13.709 4.174 4.598 1.00 0.00 O ATOM 331 CB THR A 21 -13.736 5.122 1.840 1.00 0.00 C ATOM 332 OG1 THR A 21 -15.093 4.713 1.873 1.00 0.00 O ATOM 333 CG2 THR A 21 -13.413 5.532 0.420 1.00 0.00 C ATOM 0 H THR A 21 -14.013 2.308 2.618 1.00 0.00 H new ATOM 0 HA THR A 21 -11.829 4.130 1.942 1.00 0.00 H new ATOM 0 HB THR A 21 -13.566 5.977 2.495 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.661 5.435 1.531 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.097 6.320 0.104 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.388 5.900 0.372 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.521 4.672 -0.241 1.00 0.00 H new ATOM 341 N ARG A 22 -11.469 4.189 4.372 1.00 0.00 N ATOM 342 CA ARG A 22 -11.212 4.326 5.800 1.00 0.00 C ATOM 343 C ARG A 22 -11.138 5.801 6.185 1.00 0.00 C ATOM 344 O ARG A 22 -11.509 6.670 5.397 1.00 0.00 O ATOM 345 CB ARG A 22 -9.907 3.620 6.177 1.00 0.00 C ATOM 346 CG ARG A 22 -10.113 2.355 6.992 1.00 0.00 C ATOM 347 CD ARG A 22 -9.843 2.591 8.469 1.00 0.00 C ATOM 348 NE ARG A 22 -10.903 3.371 9.101 1.00 0.00 N ATOM 349 CZ ARG A 22 -12.019 2.840 9.593 1.00 0.00 C ATOM 350 NH1 ARG A 22 -12.221 1.531 9.525 1.00 0.00 N ATOM 351 NH2 ARG A 22 -12.934 3.620 10.153 1.00 0.00 N ATOM 0 H ARG A 22 -10.629 4.146 3.795 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.033 3.860 6.345 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.362 3.371 5.266 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.281 4.309 6.744 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.135 1.999 6.861 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.452 1.571 6.621 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.746 1.632 8.978 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.892 3.111 8.585 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.781 4.381 9.169 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.520 0.928 9.095 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.078 1.127 9.903 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.782 4.627 10.206 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.790 3.213 10.530 1.00 0.00 H new ATOM 365 N LYS A 23 -10.665 6.081 7.396 1.00 0.00 N ATOM 366 CA LYS A 23 -10.551 7.456 7.863 1.00 0.00 C ATOM 367 C LYS A 23 -9.425 7.594 8.876 1.00 0.00 C ATOM 368 O LYS A 23 -9.228 6.724 9.725 1.00 0.00 O ATOM 369 CB LYS A 23 -11.872 7.917 8.485 1.00 0.00 C ATOM 370 CG LYS A 23 -11.870 9.376 8.911 1.00 0.00 C ATOM 371 CD LYS A 23 -13.167 10.070 8.528 1.00 0.00 C ATOM 372 CE LYS A 23 -14.207 9.954 9.630 1.00 0.00 C ATOM 373 NZ LYS A 23 -13.900 10.849 10.779 1.00 0.00 N ATOM 0 H LYS A 23 -10.357 5.378 8.067 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.322 8.087 7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.676 7.758 7.767 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.092 7.295 9.352 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.726 9.441 9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.029 9.891 8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.971 11.122 8.321 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.558 9.632 7.610 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.190 10.202 9.229 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.255 8.922 9.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.730 10.910 11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.093 10.466 11.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.662 11.798 10.426 1.00 0.00 H new ATOM 387 N CYS A 24 -8.694 8.696 8.784 1.00 0.00 N ATOM 388 CA CYS A 24 -7.602 8.965 9.703 1.00 0.00 C ATOM 389 C CYS A 24 -8.069 9.897 10.813 1.00 0.00 C ATOM 390 O CYS A 24 -8.495 11.024 10.557 1.00 0.00 O ATOM 391 CB CYS A 24 -6.415 9.579 8.962 1.00 0.00 C ATOM 392 SG CYS A 24 -4.887 8.622 9.092 1.00 0.00 S ATOM 0 H CYS A 24 -8.840 9.419 8.079 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.281 8.022 10.145 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.675 9.687 7.909 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.237 10.582 9.351 1.00 0.00 H new ATOM 0 HG CYS A 24 -3.942 9.221 8.431 1.00 0.00 H new ATOM 398 N VAL A 25 -8.002 9.407 12.040 1.00 0.00 N ATOM 399 CA VAL A 25 -8.431 10.178 13.201 1.00 0.00 C ATOM 400 C VAL A 25 -7.503 11.374 13.419 1.00 0.00 C ATOM 401 O VAL A 25 -7.857 12.332 14.109 1.00 0.00 O ATOM 402 CB VAL A 25 -8.512 9.295 14.472 1.00 0.00 C ATOM 403 CG1 VAL A 25 -8.071 7.868 14.173 1.00 0.00 C ATOM 404 CG2 VAL A 25 -7.701 9.886 15.611 1.00 0.00 C ATOM 0 H VAL A 25 -7.653 8.474 12.261 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.435 10.553 13.004 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.555 9.268 14.789 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.137 7.269 15.081 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.719 7.440 13.408 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.041 7.873 13.816 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.780 9.242 16.487 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.656 9.964 15.311 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.084 10.877 15.854 1.00 0.00 H new ATOM 414 N CYS A 26 -6.343 11.339 12.773 1.00 0.00 N ATOM 415 CA CYS A 26 -5.384 12.431 12.865 1.00 0.00 C ATOM 416 C CYS A 26 -5.920 13.679 12.171 1.00 0.00 C ATOM 417 O CYS A 26 -5.523 14.800 12.491 1.00 0.00 O ATOM 418 CB CYS A 26 -4.048 12.020 12.242 1.00 0.00 C ATOM 419 SG CYS A 26 -2.624 12.935 12.878 1.00 0.00 S ATOM 0 H CYS A 26 -6.045 10.565 12.180 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.228 12.659 13.919 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.890 10.956 12.417 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.104 12.161 11.163 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.542 12.515 12.293 1.00 0.00 H new ATOM 425 N GLY A 27 -6.829 13.476 11.220 1.00 0.00 N ATOM 426 CA GLY A 27 -7.415 14.592 10.499 1.00 0.00 C ATOM 427 C GLY A 27 -7.369 14.407 8.993 1.00 0.00 C ATOM 428 O GLY A 27 -6.874 15.274 8.272 1.00 0.00 O ATOM 0 H GLY A 27 -7.170 12.557 10.936 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.451 14.719 10.814 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.887 15.508 10.765 1.00 0.00 H new ATOM 432 N ARG A 28 -7.891 13.276 8.515 1.00 0.00 N ATOM 433 CA ARG A 28 -7.910 12.981 7.082 1.00 0.00 C ATOM 434 C ARG A 28 -8.742 11.736 6.785 1.00 0.00 C ATOM 435 O ARG A 28 -9.479 11.247 7.640 1.00 0.00 O ATOM 436 CB ARG A 28 -6.488 12.777 6.538 1.00 0.00 C ATOM 437 CG ARG A 28 -5.442 12.487 7.603 1.00 0.00 C ATOM 438 CD ARG A 28 -4.294 13.481 7.539 1.00 0.00 C ATOM 439 NE ARG A 28 -3.000 12.817 7.410 1.00 0.00 N ATOM 440 CZ ARG A 28 -2.126 12.703 8.406 1.00 0.00 C ATOM 441 NH1 ARG A 28 -2.408 13.207 9.600 1.00 0.00 N ATOM 442 NH2 ARG A 28 -0.970 12.085 8.208 1.00 0.00 N ATOM 0 H ARG A 28 -8.306 12.550 9.099 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.363 13.840 6.587 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.500 11.953 5.824 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.191 13.670 5.988 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.904 12.526 8.589 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.057 11.476 7.471 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.443 14.152 6.693 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.297 14.097 8.439 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.752 12.418 6.505 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.297 13.683 9.756 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.736 13.118 10.363 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.750 11.696 7.291 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.301 11.998 8.973 1.00 0.00 H new ATOM 456 N THR A 29 -8.611 11.230 5.559 1.00 0.00 N ATOM 457 CA THR A 29 -9.342 10.043 5.130 1.00 0.00 C ATOM 458 C THR A 29 -8.445 9.131 4.297 1.00 0.00 C ATOM 459 O THR A 29 -7.692 9.600 3.443 1.00 0.00 O ATOM 460 CB THR A 29 -10.576 10.449 4.319 1.00 0.00 C ATOM 461 OG1 THR A 29 -11.401 11.323 5.069 1.00 0.00 O ATOM 462 CG2 THR A 29 -11.425 9.275 3.884 1.00 0.00 C ATOM 0 H THR A 29 -8.002 11.628 4.844 1.00 0.00 H new ATOM 0 HA THR A 29 -9.663 9.496 6.017 1.00 0.00 H new ATOM 0 HB THR A 29 -10.186 10.939 3.427 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.184 11.573 4.535 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.281 9.636 3.315 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.830 8.607 3.261 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.776 8.734 4.763 1.00 0.00 H new ATOM 470 N VAL A 30 -8.515 7.830 4.563 1.00 0.00 N ATOM 471 CA VAL A 30 -7.695 6.857 3.849 1.00 0.00 C ATOM 472 C VAL A 30 -8.479 6.179 2.732 1.00 0.00 C ATOM 473 O VAL A 30 -9.418 5.425 2.985 1.00 0.00 O ATOM 474 CB VAL A 30 -7.140 5.782 4.799 1.00 0.00 C ATOM 475 CG1 VAL A 30 -6.138 4.896 4.078 1.00 0.00 C ATOM 476 CG2 VAL A 30 -6.506 6.433 6.016 1.00 0.00 C ATOM 0 H VAL A 30 -9.131 7.425 5.268 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.863 7.411 3.414 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.966 5.154 5.134 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.757 4.142 4.767 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.626 4.405 3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.311 5.505 3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.117 5.661 6.680 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.691 7.083 5.698 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.255 7.023 6.544 1.00 0.00 H new ATOM 486 N ASN A 31 -8.096 6.470 1.495 1.00 0.00 N ATOM 487 CA ASN A 31 -8.754 5.888 0.329 1.00 0.00 C ATOM 488 C ASN A 31 -8.014 4.649 -0.166 1.00 0.00 C ATOM 489 O ASN A 31 -6.838 4.720 -0.527 1.00 0.00 O ATOM 490 CB ASN A 31 -8.845 6.922 -0.797 1.00 0.00 C ATOM 491 CG ASN A 31 -9.515 6.368 -2.038 1.00 0.00 C ATOM 492 OD1 ASN A 31 -9.030 6.549 -3.154 1.00 0.00 O ATOM 493 ND2 ASN A 31 -10.640 5.686 -1.849 1.00 0.00 N ATOM 0 H ASN A 31 -7.331 7.107 1.272 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.758 5.588 0.628 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.401 7.791 -0.445 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.843 7.267 -1.052 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.136 5.289 -2.647 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.007 5.560 -0.906 1.00 0.00 H new ATOM 500 N VAL A 32 -8.697 3.506 -0.166 1.00 0.00 N ATOM 501 CA VAL A 32 -8.094 2.270 -0.653 1.00 0.00 C ATOM 502 C VAL A 32 -7.819 2.359 -2.153 1.00 0.00 C ATOM 503 O VAL A 32 -7.935 3.431 -2.749 1.00 0.00 O ATOM 504 CB VAL A 32 -8.964 1.032 -0.333 1.00 0.00 C ATOM 505 CG1 VAL A 32 -9.538 1.142 1.071 1.00 0.00 C ATOM 506 CG2 VAL A 32 -10.077 0.838 -1.354 1.00 0.00 C ATOM 0 H VAL A 32 -9.658 3.411 0.162 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.147 2.145 -0.128 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.321 0.154 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.148 0.265 1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.724 1.202 1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.154 2.039 1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.663 -0.042 -1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.723 1.716 -1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.643 0.702 -2.344 1.00 0.00 H new ATOM 516 N LYS A 33 -7.440 1.238 -2.757 1.00 0.00 N ATOM 517 CA LYS A 33 -7.141 1.204 -4.185 1.00 0.00 C ATOM 518 C LYS A 33 -8.336 1.674 -5.010 1.00 0.00 C ATOM 519 O LYS A 33 -9.384 2.019 -4.464 1.00 0.00 O ATOM 520 CB LYS A 33 -6.744 -0.211 -4.608 1.00 0.00 C ATOM 521 CG LYS A 33 -5.241 -0.432 -4.652 1.00 0.00 C ATOM 522 CD LYS A 33 -4.650 0.012 -5.980 1.00 0.00 C ATOM 523 CE LYS A 33 -4.457 -1.163 -6.924 1.00 0.00 C ATOM 524 NZ LYS A 33 -3.949 -0.729 -8.255 1.00 0.00 N ATOM 0 H LYS A 33 -7.333 0.342 -2.281 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.309 1.883 -4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.188 -0.926 -3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.163 -0.418 -5.593 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.767 0.119 -3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.023 -1.488 -4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.306 0.749 -6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.692 0.503 -5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.757 -1.872 -6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.405 -1.687 -7.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.831 -1.560 -8.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.628 -0.072 -8.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.032 -0.252 -8.138 1.00 0.00 H new ATOM 538 N ASP A 34 -8.179 1.662 -6.328 1.00 0.00 N ATOM 539 CA ASP A 34 -9.247 2.079 -7.226 1.00 0.00 C ATOM 540 C ASP A 34 -10.122 0.890 -7.596 1.00 0.00 C ATOM 541 O ASP A 34 -11.350 0.977 -7.577 1.00 0.00 O ATOM 542 CB ASP A 34 -8.665 2.714 -8.492 1.00 0.00 C ATOM 543 CG ASP A 34 -7.277 3.281 -8.271 1.00 0.00 C ATOM 544 OD1 ASP A 34 -7.117 4.125 -7.363 1.00 0.00 O ATOM 545 OD2 ASP A 34 -6.348 2.881 -9.004 1.00 0.00 O ATOM 0 H ASP A 34 -7.323 1.368 -6.798 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.858 2.820 -6.711 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.627 1.967 -9.285 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.328 3.508 -8.834 1.00 0.00 H new ATOM 550 N ARG A 35 -9.480 -0.231 -7.909 1.00 0.00 N ATOM 551 CA ARG A 35 -10.196 -1.452 -8.246 1.00 0.00 C ATOM 552 C ARG A 35 -10.566 -2.216 -6.974 1.00 0.00 C ATOM 553 O ARG A 35 -11.461 -1.805 -6.236 1.00 0.00 O ATOM 554 CB ARG A 35 -9.350 -2.328 -9.172 1.00 0.00 C ATOM 555 CG ARG A 35 -9.255 -1.799 -10.593 1.00 0.00 C ATOM 556 CD ARG A 35 -9.586 -2.877 -11.613 1.00 0.00 C ATOM 557 NE ARG A 35 -8.733 -4.052 -11.465 1.00 0.00 N ATOM 558 CZ ARG A 35 -7.458 -4.091 -11.837 1.00 0.00 C ATOM 559 NH1 ARG A 35 -6.886 -3.022 -12.377 1.00 0.00 N ATOM 560 NH2 ARG A 35 -6.749 -5.200 -11.667 1.00 0.00 N ATOM 0 H ARG A 35 -8.464 -0.317 -7.936 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.114 -1.186 -8.770 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.345 -2.415 -8.758 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.773 -3.332 -9.195 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.938 -0.959 -10.716 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.249 -1.421 -10.775 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.630 -3.171 -11.504 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.473 -2.471 -12.618 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.139 -4.892 -11.052 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.425 -2.166 -12.508 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.907 -3.056 -12.661 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.183 -6.024 -11.250 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.770 -5.229 -11.953 1.00 0.00 H new ATOM 574 N ARG A 36 -9.881 -3.330 -6.726 1.00 0.00 N ATOM 575 CA ARG A 36 -10.131 -4.131 -5.535 1.00 0.00 C ATOM 576 C ARG A 36 -9.481 -3.501 -4.304 1.00 0.00 C ATOM 577 O ARG A 36 -10.071 -2.640 -3.652 1.00 0.00 O ATOM 578 CB ARG A 36 -9.618 -5.560 -5.738 1.00 0.00 C ATOM 579 CG ARG A 36 -9.783 -6.072 -7.161 1.00 0.00 C ATOM 580 CD ARG A 36 -8.725 -7.107 -7.508 1.00 0.00 C ATOM 581 NE ARG A 36 -8.646 -7.350 -8.946 1.00 0.00 N ATOM 582 CZ ARG A 36 -9.458 -8.176 -9.601 1.00 0.00 C ATOM 583 NH1 ARG A 36 -10.407 -8.835 -8.949 1.00 0.00 N ATOM 584 NH2 ARG A 36 -9.321 -8.344 -10.909 1.00 0.00 N ATOM 0 H ARG A 36 -9.149 -3.697 -7.335 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.208 -4.165 -5.368 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.563 -5.600 -5.467 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.147 -6.227 -5.058 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.774 -6.510 -7.278 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.719 -5.237 -7.859 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.755 -6.769 -7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.950 -8.042 -6.995 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.928 -6.859 -9.478 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.516 -8.709 -7.943 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.028 -9.467 -9.454 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.592 -7.840 -11.414 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.944 -8.977 -11.410 1.00 0.00 H new ATOM 598 N ILE A 37 -8.270 -3.949 -3.983 1.00 0.00 N ATOM 599 CA ILE A 37 -7.545 -3.447 -2.820 1.00 0.00 C ATOM 600 C ILE A 37 -6.038 -3.623 -3.003 1.00 0.00 C ATOM 601 O ILE A 37 -5.592 -4.476 -3.772 1.00 0.00 O ATOM 602 CB ILE A 37 -8.018 -4.166 -1.530 1.00 0.00 C ATOM 603 CG1 ILE A 37 -8.885 -3.221 -0.690 1.00 0.00 C ATOM 604 CG2 ILE A 37 -6.843 -4.697 -0.713 1.00 0.00 C ATOM 605 CD1 ILE A 37 -8.097 -2.207 0.112 1.00 0.00 C ATOM 0 H ILE A 37 -7.769 -4.661 -4.514 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.758 -2.382 -2.722 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.617 -5.027 -1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.571 -2.691 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.494 -3.814 -0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.217 -5.194 0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.275 -5.409 -1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.196 -3.868 -0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.784 -1.578 0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.430 -2.726 0.800 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.509 -1.586 -0.564 1.00 0.00 H new ATOM 617 N PHE A 38 -5.261 -2.823 -2.280 1.00 0.00 N ATOM 618 CA PHE A 38 -3.809 -2.912 -2.339 1.00 0.00 C ATOM 619 C PHE A 38 -3.298 -3.888 -1.287 1.00 0.00 C ATOM 620 O PHE A 38 -3.854 -3.975 -0.197 1.00 0.00 O ATOM 621 CB PHE A 38 -3.182 -1.532 -2.115 1.00 0.00 C ATOM 622 CG PHE A 38 -1.964 -1.272 -2.960 1.00 0.00 C ATOM 623 CD1 PHE A 38 -0.897 -2.157 -2.958 1.00 0.00 C ATOM 624 CD2 PHE A 38 -1.883 -0.134 -3.747 1.00 0.00 C ATOM 625 CE1 PHE A 38 0.222 -1.917 -3.733 1.00 0.00 C ATOM 626 CE2 PHE A 38 -0.766 0.112 -4.523 1.00 0.00 C ATOM 627 CZ PHE A 38 0.289 -0.781 -4.515 1.00 0.00 C ATOM 0 H PHE A 38 -5.614 -2.106 -1.646 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.524 -3.274 -3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.928 -0.766 -2.325 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.911 -1.433 -1.064 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.941 -3.044 -2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.703 0.569 -3.754 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.044 -2.618 -3.727 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.718 1.001 -5.135 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.164 -0.591 -5.119 1.00 0.00 H new ATOM 637 N GLY A 39 -2.258 -4.637 -1.633 1.00 0.00 N ATOM 638 CA GLY A 39 -1.682 -5.598 -0.709 1.00 0.00 C ATOM 639 C GLY A 39 -2.721 -6.467 -0.026 1.00 0.00 C ATOM 640 O GLY A 39 -3.293 -6.080 0.992 1.00 0.00 O ATOM 0 H GLY A 39 -1.800 -4.596 -2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.982 -6.236 -1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.109 -5.065 0.049 1.00 0.00 H new ATOM 644 N ARG A 40 -2.960 -7.651 -0.578 1.00 0.00 N ATOM 645 CA ARG A 40 -3.913 -8.582 0.012 1.00 0.00 C ATOM 646 C ARG A 40 -3.199 -9.507 0.984 1.00 0.00 C ATOM 647 O ARG A 40 -2.691 -10.562 0.601 1.00 0.00 O ATOM 648 CB ARG A 40 -4.618 -9.396 -1.072 1.00 0.00 C ATOM 649 CG ARG A 40 -6.118 -9.509 -0.858 1.00 0.00 C ATOM 650 CD ARG A 40 -6.466 -10.687 0.039 1.00 0.00 C ATOM 651 NE ARG A 40 -6.728 -11.902 -0.727 1.00 0.00 N ATOM 652 CZ ARG A 40 -5.812 -12.837 -0.966 1.00 0.00 C ATOM 653 NH1 ARG A 40 -4.577 -12.695 -0.504 1.00 0.00 N ATOM 654 NH2 ARG A 40 -6.131 -13.914 -1.669 1.00 0.00 N ATOM 0 H ARG A 40 -2.509 -7.987 -1.429 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.667 -8.010 0.553 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.430 -8.936 -2.042 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.186 -10.396 -1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.493 -8.588 -0.412 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.616 -9.624 -1.821 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.646 -10.867 0.734 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.343 -10.440 0.637 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.667 -12.042 -1.100 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.327 -11.867 0.037 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.877 -13.414 -0.689 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.079 -14.027 -2.027 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.428 -14.630 -1.852 1.00 0.00 H new ATOM 668 N ALA A 41 -3.133 -9.083 2.238 1.00 0.00 N ATOM 669 CA ALA A 41 -2.436 -9.841 3.265 1.00 0.00 C ATOM 670 C ALA A 41 -3.379 -10.774 4.013 1.00 0.00 C ATOM 671 O ALA A 41 -4.238 -10.327 4.769 1.00 0.00 O ATOM 672 CB ALA A 41 -1.755 -8.890 4.236 1.00 0.00 C ATOM 0 H ALA A 41 -3.555 -8.215 2.569 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.684 -10.459 2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.235 -9.464 5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.038 -8.271 3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.504 -8.252 4.706 1.00 0.00 H new ATOM 678 N ASP A 42 -3.198 -12.074 3.810 1.00 0.00 N ATOM 679 CA ASP A 42 -4.012 -13.070 4.491 1.00 0.00 C ATOM 680 C ASP A 42 -3.469 -13.329 5.890 1.00 0.00 C ATOM 681 O ASP A 42 -4.218 -13.653 6.812 1.00 0.00 O ATOM 682 CB ASP A 42 -4.042 -14.373 3.689 1.00 0.00 C ATOM 683 CG ASP A 42 -5.129 -15.318 4.159 1.00 0.00 C ATOM 684 OD1 ASP A 42 -6.267 -15.211 3.656 1.00 0.00 O ATOM 685 OD2 ASP A 42 -4.844 -16.166 5.031 1.00 0.00 O ATOM 0 H ASP A 42 -2.495 -12.461 3.180 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.029 -12.687 4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.195 -14.143 2.635 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.074 -14.868 3.770 1.00 0.00 H new ATOM 690 N ASP A 43 -2.153 -13.197 6.035 1.00 0.00 N ATOM 691 CA ASP A 43 -1.498 -13.397 7.322 1.00 0.00 C ATOM 692 C ASP A 43 -1.507 -12.110 8.141 1.00 0.00 C ATOM 693 O ASP A 43 -1.191 -11.037 7.629 1.00 0.00 O ATOM 694 CB ASP A 43 -0.061 -13.879 7.118 1.00 0.00 C ATOM 695 CG ASP A 43 0.011 -15.348 6.747 1.00 0.00 C ATOM 696 OD1 ASP A 43 -1.051 -16.002 6.699 1.00 0.00 O ATOM 697 OD2 ASP A 43 1.132 -15.844 6.507 1.00 0.00 O ATOM 0 H ASP A 43 -1.519 -12.952 5.274 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.052 -14.159 7.870 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.410 -13.286 6.334 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.509 -13.710 8.032 1.00 0.00 H new ATOM 702 N PHE A 44 -1.878 -12.224 9.414 1.00 0.00 N ATOM 703 CA PHE A 44 -1.922 -11.068 10.303 1.00 0.00 C ATOM 704 C PHE A 44 -0.569 -10.367 10.351 1.00 0.00 C ATOM 705 O PHE A 44 -0.488 -9.143 10.254 1.00 0.00 O ATOM 706 CB PHE A 44 -2.339 -11.490 11.714 1.00 0.00 C ATOM 707 CG PHE A 44 -3.358 -12.596 11.741 1.00 0.00 C ATOM 708 CD1 PHE A 44 -4.635 -12.390 11.243 1.00 0.00 C ATOM 709 CD2 PHE A 44 -3.039 -13.838 12.265 1.00 0.00 C ATOM 710 CE1 PHE A 44 -5.574 -13.404 11.266 1.00 0.00 C ATOM 711 CE2 PHE A 44 -3.974 -14.855 12.292 1.00 0.00 C ATOM 712 CZ PHE A 44 -5.242 -14.638 11.792 1.00 0.00 C ATOM 0 H PHE A 44 -2.152 -13.104 9.852 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.661 -10.371 9.909 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.454 -11.811 12.264 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.743 -10.624 12.238 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.899 -11.427 10.832 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.048 -14.013 12.657 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.565 -13.232 10.874 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.713 -15.819 12.704 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.974 -15.432 11.812 1.00 0.00 H new ATOM 722 N GLU A 45 0.493 -11.154 10.501 1.00 0.00 N ATOM 723 CA GLU A 45 1.845 -10.613 10.560 1.00 0.00 C ATOM 724 C GLU A 45 2.251 -10.007 9.219 1.00 0.00 C ATOM 725 O GLU A 45 2.960 -9.003 9.171 1.00 0.00 O ATOM 726 CB GLU A 45 2.836 -11.708 10.955 1.00 0.00 C ATOM 727 CG GLU A 45 3.363 -11.568 12.374 1.00 0.00 C ATOM 728 CD GLU A 45 4.653 -12.332 12.596 1.00 0.00 C ATOM 729 OE1 GLU A 45 5.631 -12.072 11.865 1.00 0.00 O ATOM 730 OE2 GLU A 45 4.685 -13.194 13.500 1.00 0.00 O ATOM 0 H GLU A 45 0.442 -12.169 10.584 1.00 0.00 H new ATOM 0 HA GLU A 45 1.860 -9.825 11.313 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.353 -12.679 10.850 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.676 -11.694 10.261 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.528 -10.513 12.594 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.608 -11.926 13.075 1.00 0.00 H new ATOM 737 N GLU A 46 1.794 -10.626 8.135 1.00 0.00 N ATOM 738 CA GLU A 46 2.111 -10.151 6.793 1.00 0.00 C ATOM 739 C GLU A 46 1.435 -8.812 6.517 1.00 0.00 C ATOM 740 O GLU A 46 1.889 -8.039 5.674 1.00 0.00 O ATOM 741 CB GLU A 46 1.671 -11.183 5.750 1.00 0.00 C ATOM 742 CG GLU A 46 1.978 -10.776 4.318 1.00 0.00 C ATOM 743 CD GLU A 46 3.250 -11.409 3.789 1.00 0.00 C ATOM 744 OE1 GLU A 46 3.504 -12.589 4.110 1.00 0.00 O ATOM 745 OE2 GLU A 46 3.991 -10.726 3.051 1.00 0.00 O ATOM 0 H GLU A 46 1.203 -11.457 8.160 1.00 0.00 H new ATOM 0 HA GLU A 46 3.190 -10.013 6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.163 -12.132 5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.599 -11.351 5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.143 -11.059 3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.068 -9.691 4.264 1.00 0.00 H new ATOM 752 N ALA A 47 0.344 -8.549 7.230 1.00 0.00 N ATOM 753 CA ALA A 47 -0.396 -7.302 7.067 1.00 0.00 C ATOM 754 C ALA A 47 0.489 -6.093 7.344 1.00 0.00 C ATOM 755 O ALA A 47 0.671 -5.234 6.481 1.00 0.00 O ATOM 756 CB ALA A 47 -1.613 -7.291 7.981 1.00 0.00 C ATOM 0 H ALA A 47 -0.047 -9.183 7.927 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.730 -7.240 6.031 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.157 -6.356 7.851 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.264 -8.128 7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.290 -7.381 9.018 1.00 0.00 H new ATOM 762 N SER A 48 1.032 -6.028 8.557 1.00 0.00 N ATOM 763 CA SER A 48 1.895 -4.919 8.953 1.00 0.00 C ATOM 764 C SER A 48 3.117 -4.820 8.046 1.00 0.00 C ATOM 765 O SER A 48 3.617 -3.726 7.781 1.00 0.00 O ATOM 766 CB SER A 48 2.338 -5.090 10.408 1.00 0.00 C ATOM 767 OG SER A 48 2.805 -3.865 10.946 1.00 0.00 O ATOM 0 H SER A 48 0.890 -6.730 9.283 1.00 0.00 H new ATOM 0 HA SER A 48 1.323 -3.996 8.856 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.503 -5.458 11.005 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.127 -5.840 10.466 1.00 0.00 H new ATOM 0 HG SER A 48 3.081 -4.000 11.877 1.00 0.00 H new ATOM 773 N GLU A 49 3.597 -5.968 7.577 1.00 0.00 N ATOM 774 CA GLU A 49 4.766 -6.007 6.705 1.00 0.00 C ATOM 775 C GLU A 49 4.446 -5.424 5.333 1.00 0.00 C ATOM 776 O GLU A 49 5.270 -4.732 4.735 1.00 0.00 O ATOM 777 CB GLU A 49 5.270 -7.443 6.558 1.00 0.00 C ATOM 778 CG GLU A 49 6.622 -7.682 7.211 1.00 0.00 C ATOM 779 CD GLU A 49 7.761 -7.691 6.210 1.00 0.00 C ATOM 780 OE1 GLU A 49 7.897 -6.703 5.459 1.00 0.00 O ATOM 781 OE2 GLU A 49 8.514 -8.686 6.178 1.00 0.00 O ATOM 0 H GLU A 49 3.195 -6.882 7.786 1.00 0.00 H new ATOM 0 HA GLU A 49 5.547 -5.399 7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.539 -8.123 6.996 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.339 -7.689 5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.804 -6.907 7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.602 -8.634 7.741 1.00 0.00 H new ATOM 788 N LEU A 50 3.245 -5.709 4.840 1.00 0.00 N ATOM 789 CA LEU A 50 2.814 -5.214 3.541 1.00 0.00 C ATOM 790 C LEU A 50 2.636 -3.700 3.569 1.00 0.00 C ATOM 791 O LEU A 50 3.000 -3.005 2.621 1.00 0.00 O ATOM 792 CB LEU A 50 1.505 -5.891 3.129 1.00 0.00 C ATOM 793 CG LEU A 50 1.588 -6.737 1.856 1.00 0.00 C ATOM 794 CD1 LEU A 50 0.257 -7.421 1.583 1.00 0.00 C ATOM 795 CD2 LEU A 50 2.003 -5.877 0.673 1.00 0.00 C ATOM 0 H LEU A 50 2.553 -6.282 5.323 1.00 0.00 H new ATOM 0 HA LEU A 50 3.585 -5.454 2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.168 -6.526 3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.745 -5.123 2.988 1.00 0.00 H new ATOM 0 HG LEU A 50 2.345 -7.508 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.334 -8.018 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.002 -8.068 2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.520 -6.667 1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.057 -6.494 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.270 -5.084 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.980 -5.435 0.869 1.00 0.00 H new ATOM 807 N VAL A 51 2.095 -3.198 4.674 1.00 0.00 N ATOM 808 CA VAL A 51 1.880 -1.766 4.841 1.00 0.00 C ATOM 809 C VAL A 51 3.207 -1.017 4.880 1.00 0.00 C ATOM 810 O VAL A 51 3.334 0.066 4.307 1.00 0.00 O ATOM 811 CB VAL A 51 1.101 -1.468 6.134 1.00 0.00 C ATOM 812 CG1 VAL A 51 0.873 0.026 6.293 1.00 0.00 C ATOM 813 CG2 VAL A 51 -0.217 -2.224 6.150 1.00 0.00 C ATOM 0 H VAL A 51 1.797 -3.764 5.469 1.00 0.00 H new ATOM 0 HA VAL A 51 1.297 -1.427 3.985 1.00 0.00 H new ATOM 0 HB VAL A 51 1.698 -1.809 6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.321 0.214 7.214 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.834 0.538 6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.300 0.399 5.444 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.754 -2.000 7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.821 -1.920 5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.023 -3.295 6.094 1.00 0.00 H new ATOM 823 N ARG A 52 4.190 -1.597 5.561 1.00 0.00 N ATOM 824 CA ARG A 52 5.509 -0.985 5.665 1.00 0.00 C ATOM 825 C ARG A 52 6.150 -0.873 4.290 1.00 0.00 C ATOM 826 O ARG A 52 6.724 0.159 3.944 1.00 0.00 O ATOM 827 CB ARG A 52 6.406 -1.801 6.597 1.00 0.00 C ATOM 828 CG ARG A 52 7.715 -1.110 6.943 1.00 0.00 C ATOM 829 CD ARG A 52 7.701 -0.570 8.364 1.00 0.00 C ATOM 830 NE ARG A 52 7.771 -1.640 9.355 1.00 0.00 N ATOM 831 CZ ARG A 52 8.388 -1.520 10.527 1.00 0.00 C ATOM 832 NH1 ARG A 52 8.986 -0.381 10.853 1.00 0.00 N ATOM 833 NH2 ARG A 52 8.407 -2.539 11.376 1.00 0.00 N ATOM 0 H ARG A 52 4.098 -2.488 6.048 1.00 0.00 H new ATOM 0 HA ARG A 52 5.392 0.016 6.081 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.862 -2.012 7.518 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.624 -2.761 6.129 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.540 -1.813 6.828 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.892 -0.293 6.244 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.543 0.108 8.503 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.793 0.012 8.522 1.00 0.00 H new ATOM 0 HE ARG A 52 7.322 -2.529 9.136 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.973 0.406 10.204 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.458 -0.292 11.753 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.948 -3.416 11.130 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.881 -2.445 12.275 1.00 0.00 H new ATOM 847 N LYS A 53 6.024 -1.933 3.499 1.00 0.00 N ATOM 848 CA LYS A 53 6.545 -1.927 2.141 1.00 0.00 C ATOM 849 C LYS A 53 5.769 -0.920 1.306 1.00 0.00 C ATOM 850 O LYS A 53 6.323 -0.262 0.425 1.00 0.00 O ATOM 851 CB LYS A 53 6.441 -3.321 1.520 1.00 0.00 C ATOM 852 CG LYS A 53 7.106 -3.433 0.157 1.00 0.00 C ATOM 853 CD LYS A 53 8.619 -3.324 0.263 1.00 0.00 C ATOM 854 CE LYS A 53 9.283 -4.689 0.192 1.00 0.00 C ATOM 855 NZ LYS A 53 10.226 -4.909 1.323 1.00 0.00 N ATOM 0 H LYS A 53 5.568 -2.802 3.775 1.00 0.00 H new ATOM 0 HA LYS A 53 7.597 -1.642 2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.894 -4.045 2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.389 -3.589 1.424 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.840 -4.386 -0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.729 -2.648 -0.498 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.996 -2.693 -0.541 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.885 -2.838 1.202 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.518 -5.465 0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.820 -4.782 -0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.657 -5.851 1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.971 -4.184 1.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.709 -4.846 2.223 1.00 0.00 H new ATOM 869 N LEU A 54 4.478 -0.799 1.607 1.00 0.00 N ATOM 870 CA LEU A 54 3.620 0.162 0.931 1.00 0.00 C ATOM 871 C LEU A 54 4.038 1.583 1.293 1.00 0.00 C ATOM 872 O LEU A 54 3.862 2.515 0.509 1.00 0.00 O ATOM 873 CB LEU A 54 2.157 -0.070 1.325 1.00 0.00 C ATOM 874 CG LEU A 54 1.280 -0.713 0.246 1.00 0.00 C ATOM 875 CD1 LEU A 54 1.067 0.251 -0.912 1.00 0.00 C ATOM 876 CD2 LEU A 54 1.892 -2.016 -0.245 1.00 0.00 C ATOM 0 H LEU A 54 4.005 -1.358 2.317 1.00 0.00 H new ATOM 0 HA LEU A 54 3.722 0.027 -0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.133 -0.702 2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.717 0.888 1.604 1.00 0.00 H new ATOM 0 HG LEU A 54 0.310 -0.941 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.442 -0.222 -1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.576 1.154 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.030 0.513 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.251 -2.453 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.878 -1.819 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.986 -2.711 0.590 1.00 0.00 H new ATOM 888 N GLN A 55 4.597 1.733 2.491 1.00 0.00 N ATOM 889 CA GLN A 55 5.051 3.030 2.974 1.00 0.00 C ATOM 890 C GLN A 55 6.254 3.518 2.174 1.00 0.00 C ATOM 891 O GLN A 55 6.672 2.875 1.210 1.00 0.00 O ATOM 892 CB GLN A 55 5.413 2.945 4.459 1.00 0.00 C ATOM 893 CG GLN A 55 4.206 2.958 5.382 1.00 0.00 C ATOM 894 CD GLN A 55 4.528 2.449 6.773 1.00 0.00 C ATOM 895 OE1 GLN A 55 5.345 3.032 7.486 1.00 0.00 O ATOM 896 NE2 GLN A 55 3.885 1.357 7.168 1.00 0.00 N ATOM 0 H GLN A 55 4.746 0.966 3.147 1.00 0.00 H new ATOM 0 HA GLN A 55 4.237 3.744 2.844 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.983 2.033 4.634 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.064 3.781 4.714 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.818 3.974 5.452 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.416 2.345 4.949 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.216 0.906 6.544 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.060 0.969 8.095 1.00 0.00 H new