USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=13 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 180:sc= -3.09! USER MOD Set 1.2: A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= -0.83 (180deg=-2.37!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -120:sc= -0.504 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.19 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.83! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.158 K(o=-0.16,f=-3.7!) USER MOD Single : A 33 LYS NZ :NH3+ 153:sc= -1.54 (180deg=-3.28!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -156:sc= -0.196 (180deg=-0.813) USER MOD Single : A 55 GLN : amide:sc= -0.887 K(o=-0.89,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.876 -12.200 5.077 1.00 0.00 N ATOM 2 CA MET A 1 -8.449 -11.907 5.372 1.00 0.00 C ATOM 3 C MET A 1 -8.236 -10.416 5.620 1.00 0.00 C ATOM 4 O MET A 1 -9.186 -9.681 5.890 1.00 0.00 O ATOM 5 CB MET A 1 -7.592 -12.374 4.189 1.00 0.00 C ATOM 6 CG MET A 1 -8.280 -13.394 3.295 1.00 0.00 C ATOM 7 SD MET A 1 -8.879 -12.676 1.753 1.00 0.00 S ATOM 8 CE MET A 1 -9.149 -14.152 0.774 1.00 0.00 C ATOM 0 H1 MET A 1 -10.090 -13.183 5.341 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.483 -11.555 5.622 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.055 -12.068 4.061 1.00 0.00 H new ATOM 0 HA MET A 1 -8.156 -12.439 6.277 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.315 -11.507 3.589 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.667 -12.806 4.571 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.583 -14.201 3.069 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.117 -13.837 3.834 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.522 -13.872 -0.211 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.209 -14.694 0.666 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.881 -14.789 1.271 1.00 0.00 H new ATOM 20 N TYR A 2 -6.986 -9.978 5.521 1.00 0.00 N ATOM 21 CA TYR A 2 -6.648 -8.574 5.729 1.00 0.00 C ATOM 22 C TYR A 2 -6.363 -7.883 4.400 1.00 0.00 C ATOM 23 O TYR A 2 -5.998 -8.528 3.417 1.00 0.00 O ATOM 24 CB TYR A 2 -5.437 -8.449 6.655 1.00 0.00 C ATOM 25 CG TYR A 2 -5.798 -8.320 8.117 1.00 0.00 C ATOM 26 CD1 TYR A 2 -6.213 -9.423 8.850 1.00 0.00 C ATOM 27 CD2 TYR A 2 -5.722 -7.093 8.764 1.00 0.00 C ATOM 28 CE1 TYR A 2 -6.544 -9.309 10.187 1.00 0.00 C ATOM 29 CE2 TYR A 2 -6.050 -6.970 10.100 1.00 0.00 C ATOM 30 CZ TYR A 2 -6.461 -8.080 10.807 1.00 0.00 C ATOM 31 OH TYR A 2 -6.790 -7.961 12.139 1.00 0.00 O ATOM 0 H TYR A 2 -6.189 -10.575 5.298 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.503 -8.085 6.197 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -4.799 -9.323 6.524 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -4.851 -7.579 6.357 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -6.278 -10.387 8.367 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.401 -6.221 8.213 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -6.866 -10.177 10.743 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -5.985 -6.009 10.588 1.00 0.00 H new ATOM 0 HH TYR A 2 -6.676 -7.030 12.422 1.00 0.00 H new ATOM 41 N ILE A 3 -6.549 -6.568 4.376 1.00 0.00 N ATOM 42 CA ILE A 3 -6.322 -5.779 3.172 1.00 0.00 C ATOM 43 C ILE A 3 -5.414 -4.590 3.463 1.00 0.00 C ATOM 44 O ILE A 3 -5.278 -4.171 4.611 1.00 0.00 O ATOM 45 CB ILE A 3 -7.651 -5.253 2.598 1.00 0.00 C ATOM 46 CG1 ILE A 3 -8.469 -4.575 3.698 1.00 0.00 C ATOM 47 CG2 ILE A 3 -8.446 -6.382 1.963 1.00 0.00 C ATOM 48 CD1 ILE A 3 -9.371 -3.473 3.189 1.00 0.00 C ATOM 0 H ILE A 3 -6.858 -6.024 5.182 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.844 -6.435 2.444 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.427 -4.518 1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.076 -5.326 4.203 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.789 -4.162 4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.381 -5.989 1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.865 -6.827 1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.663 -7.141 2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.920 -3.038 4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.768 -2.702 2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.076 -3.884 2.466 1.00 0.00 H new ATOM 60 N ILE A 4 -4.818 -4.029 2.415 1.00 0.00 N ATOM 61 CA ILE A 4 -3.948 -2.869 2.564 1.00 0.00 C ATOM 62 C ILE A 4 -4.419 -1.735 1.651 1.00 0.00 C ATOM 63 O ILE A 4 -5.000 -1.976 0.594 1.00 0.00 O ATOM 64 CB ILE A 4 -2.473 -3.236 2.267 1.00 0.00 C ATOM 65 CG1 ILE A 4 -1.847 -3.910 3.491 1.00 0.00 C ATOM 66 CG2 ILE A 4 -1.657 -2.014 1.869 1.00 0.00 C ATOM 67 CD1 ILE A 4 -1.961 -5.418 3.480 1.00 0.00 C ATOM 0 H ILE A 4 -4.922 -4.359 1.455 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.003 -2.530 3.599 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.464 -3.928 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.794 -3.635 3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.326 -3.525 4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.628 -2.313 1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.086 -1.566 0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.672 -1.286 2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.496 -5.825 4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.013 -5.703 3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.457 -5.815 2.599 1.00 0.00 H new ATOM 79 N PHE A 5 -4.196 -0.498 2.078 1.00 0.00 N ATOM 80 CA PHE A 5 -4.626 0.663 1.308 1.00 0.00 C ATOM 81 C PHE A 5 -3.615 1.797 1.423 1.00 0.00 C ATOM 82 O PHE A 5 -2.476 1.581 1.837 1.00 0.00 O ATOM 83 CB PHE A 5 -5.999 1.144 1.786 1.00 0.00 C ATOM 84 CG PHE A 5 -6.369 0.682 3.165 1.00 0.00 C ATOM 85 CD1 PHE A 5 -6.996 -0.539 3.358 1.00 0.00 C ATOM 86 CD2 PHE A 5 -6.113 1.479 4.267 1.00 0.00 C ATOM 87 CE1 PHE A 5 -7.344 -0.961 4.627 1.00 0.00 C ATOM 88 CE2 PHE A 5 -6.465 1.066 5.534 1.00 0.00 C ATOM 89 CZ PHE A 5 -7.076 -0.156 5.716 1.00 0.00 C ATOM 0 H PHE A 5 -3.721 -0.273 2.952 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.697 0.364 0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.018 2.234 1.763 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.757 0.798 1.084 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.215 -1.167 2.507 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.631 2.436 4.133 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.824 -1.918 4.766 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.262 1.700 6.384 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.345 -0.483 6.709 1.00 0.00 H new ATOM 99 N ARG A 6 -4.029 3.007 1.047 1.00 0.00 N ATOM 100 CA ARG A 6 -3.140 4.161 1.100 1.00 0.00 C ATOM 101 C ARG A 6 -3.882 5.420 1.540 1.00 0.00 C ATOM 102 O ARG A 6 -4.939 5.750 1.004 1.00 0.00 O ATOM 103 CB ARG A 6 -2.495 4.394 -0.268 1.00 0.00 C ATOM 104 CG ARG A 6 -1.484 3.325 -0.657 1.00 0.00 C ATOM 105 CD ARG A 6 -1.513 3.050 -2.152 1.00 0.00 C ATOM 106 NE ARG A 6 -0.176 2.826 -2.695 1.00 0.00 N ATOM 107 CZ ARG A 6 0.137 2.991 -3.977 1.00 0.00 C ATOM 108 NH1 ARG A 6 -0.789 3.382 -4.844 1.00 0.00 N ATOM 109 NH2 ARG A 6 1.375 2.768 -4.394 1.00 0.00 N ATOM 0 H ARG A 6 -4.968 3.210 0.705 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.366 3.948 1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.277 4.435 -1.026 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.001 5.366 -0.266 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.484 3.644 -0.364 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.697 2.405 -0.112 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.134 2.176 -2.347 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.976 3.892 -2.666 1.00 0.00 H new ATOM 0 HE ARG A 6 0.559 2.526 -2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.743 3.557 -4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.547 3.508 -5.827 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.090 2.469 -3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.612 2.895 -5.378 1.00 0.00 H new ATOM 123 N CYS A 7 -3.309 6.131 2.506 1.00 0.00 N ATOM 124 CA CYS A 7 -3.900 7.369 2.988 1.00 0.00 C ATOM 125 C CYS A 7 -3.623 8.498 2.004 1.00 0.00 C ATOM 126 O CYS A 7 -2.741 8.379 1.153 1.00 0.00 O ATOM 127 CB CYS A 7 -3.347 7.725 4.369 1.00 0.00 C ATOM 128 SG CYS A 7 -4.327 8.956 5.261 1.00 0.00 S ATOM 0 H CYS A 7 -2.438 5.870 2.968 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.978 7.230 3.073 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.288 6.818 4.970 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.329 8.099 4.256 1.00 0.00 H new ATOM 0 HG CYS A 7 -3.782 9.190 6.418 1.00 0.00 H new ATOM 134 N ASP A 8 -4.342 9.608 2.154 1.00 0.00 N ATOM 135 CA ASP A 8 -4.186 10.743 1.248 1.00 0.00 C ATOM 136 C ASP A 8 -2.780 11.319 1.339 1.00 0.00 C ATOM 137 O ASP A 8 -2.252 11.851 0.362 1.00 0.00 O ATOM 138 CB ASP A 8 -5.215 11.827 1.575 1.00 0.00 C ATOM 139 CG ASP A 8 -5.840 12.427 0.331 1.00 0.00 C ATOM 140 OD1 ASP A 8 -6.767 11.803 -0.228 1.00 0.00 O ATOM 141 OD2 ASP A 8 -5.402 13.519 -0.086 1.00 0.00 O ATOM 0 H ASP A 8 -5.035 9.745 2.890 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.350 10.390 0.230 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.998 11.402 2.203 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.735 12.616 2.154 1.00 0.00 H new ATOM 146 N CYS A 9 -2.167 11.187 2.509 1.00 0.00 N ATOM 147 CA CYS A 9 -0.801 11.649 2.715 1.00 0.00 C ATOM 148 C CYS A 9 0.186 10.722 2.012 1.00 0.00 C ATOM 149 O CYS A 9 1.402 10.880 2.137 1.00 0.00 O ATOM 150 CB CYS A 9 -0.484 11.709 4.208 1.00 0.00 C ATOM 151 SG CYS A 9 -1.624 12.732 5.167 1.00 0.00 S ATOM 0 H CYS A 9 -2.596 10.763 3.331 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.707 12.649 2.291 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.495 10.696 4.611 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.528 12.093 4.338 1.00 0.00 H new ATOM 0 HG CYS A 9 -0.965 13.692 5.744 1.00 0.00 H new ATOM 157 N GLY A 10 -0.350 9.745 1.288 1.00 0.00 N ATOM 158 CA GLY A 10 0.484 8.773 0.607 1.00 0.00 C ATOM 159 C GLY A 10 0.894 7.649 1.534 1.00 0.00 C ATOM 160 O GLY A 10 1.866 6.938 1.274 1.00 0.00 O ATOM 0 H GLY A 10 -1.353 9.609 1.161 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.056 8.363 -0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.374 9.266 0.215 1.00 0.00 H new ATOM 164 N ARG A 11 0.180 7.530 2.649 1.00 0.00 N ATOM 165 CA ARG A 11 0.470 6.502 3.646 1.00 0.00 C ATOM 166 C ARG A 11 -0.103 5.149 3.235 1.00 0.00 C ATOM 167 O ARG A 11 -0.477 4.944 2.081 1.00 0.00 O ATOM 168 CB ARG A 11 -0.088 6.913 5.010 1.00 0.00 C ATOM 169 CG ARG A 11 0.227 8.352 5.389 1.00 0.00 C ATOM 170 CD ARG A 11 1.459 8.436 6.276 1.00 0.00 C ATOM 171 NE ARG A 11 2.618 7.791 5.666 1.00 0.00 N ATOM 172 CZ ARG A 11 3.726 8.439 5.320 1.00 0.00 C ATOM 173 NH1 ARG A 11 3.825 9.746 5.523 1.00 0.00 N ATOM 174 NH2 ARG A 11 4.737 7.780 4.769 1.00 0.00 N ATOM 0 H ARG A 11 -0.607 8.134 2.886 1.00 0.00 H new ATOM 0 HA ARG A 11 1.553 6.403 3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.169 6.775 5.007 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.316 6.248 5.774 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.386 8.941 4.486 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.627 8.788 5.907 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.690 9.482 6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.247 7.966 7.237 1.00 0.00 H new ATOM 0 HE ARG A 11 2.575 6.786 5.496 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.050 10.257 5.946 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.676 10.240 5.257 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.665 6.775 4.610 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.587 8.278 4.504 1.00 0.00 H new ATOM 188 N ALA A 12 -0.152 4.226 4.192 1.00 0.00 N ATOM 189 CA ALA A 12 -0.694 2.892 3.955 1.00 0.00 C ATOM 190 C ALA A 12 -1.114 2.240 5.270 1.00 0.00 C ATOM 191 O ALA A 12 -0.458 2.426 6.296 1.00 0.00 O ATOM 192 CB ALA A 12 0.328 2.026 3.234 1.00 0.00 C ATOM 0 H ALA A 12 0.179 4.380 5.144 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.577 2.986 3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.091 1.034 3.064 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.581 2.482 2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.227 1.941 3.844 1.00 0.00 H new ATOM 198 N LEU A 13 -2.211 1.486 5.243 1.00 0.00 N ATOM 199 CA LEU A 13 -2.696 0.814 6.447 1.00 0.00 C ATOM 200 C LEU A 13 -3.289 -0.556 6.117 1.00 0.00 C ATOM 201 O LEU A 13 -3.255 -0.998 4.969 1.00 0.00 O ATOM 202 CB LEU A 13 -3.733 1.682 7.160 1.00 0.00 C ATOM 203 CG LEU A 13 -3.151 2.749 8.090 1.00 0.00 C ATOM 204 CD1 LEU A 13 -4.193 3.812 8.401 1.00 0.00 C ATOM 205 CD2 LEU A 13 -2.634 2.114 9.372 1.00 0.00 C ATOM 0 H LEU A 13 -2.776 1.326 4.409 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.845 0.662 7.111 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.352 2.174 6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.390 1.034 7.740 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.314 3.229 7.583 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.761 4.562 9.063 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.515 4.288 7.475 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.051 3.349 8.888 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.224 2.887 10.021 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.453 1.608 9.883 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.854 1.391 9.131 1.00 0.00 H new ATOM 217 N TYR A 14 -3.820 -1.227 7.140 1.00 0.00 N ATOM 218 CA TYR A 14 -4.406 -2.555 6.968 1.00 0.00 C ATOM 219 C TYR A 14 -5.713 -2.692 7.752 1.00 0.00 C ATOM 220 O TYR A 14 -5.843 -2.169 8.859 1.00 0.00 O ATOM 221 CB TYR A 14 -3.414 -3.630 7.420 1.00 0.00 C ATOM 222 CG TYR A 14 -3.032 -3.538 8.879 1.00 0.00 C ATOM 223 CD1 TYR A 14 -2.039 -2.664 9.304 1.00 0.00 C ATOM 224 CD2 TYR A 14 -3.654 -4.336 9.832 1.00 0.00 C ATOM 225 CE1 TYR A 14 -1.684 -2.580 10.638 1.00 0.00 C ATOM 226 CE2 TYR A 14 -3.305 -4.258 11.166 1.00 0.00 C ATOM 227 CZ TYR A 14 -2.320 -3.379 11.563 1.00 0.00 C ATOM 228 OH TYR A 14 -1.969 -3.299 12.892 1.00 0.00 O ATOM 0 H TYR A 14 -3.856 -0.872 8.096 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.629 -2.689 5.909 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.846 -4.612 7.229 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.512 -3.556 6.813 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.536 -2.040 8.580 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.423 -5.029 9.524 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.913 -1.892 10.953 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.801 -4.882 11.894 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.512 -3.927 13.412 1.00 0.00 H new ATOM 238 N SER A 15 -6.676 -3.406 7.169 1.00 0.00 N ATOM 239 CA SER A 15 -7.969 -3.637 7.813 1.00 0.00 C ATOM 240 C SER A 15 -8.607 -4.917 7.290 1.00 0.00 C ATOM 241 O SER A 15 -7.967 -5.697 6.587 1.00 0.00 O ATOM 242 CB SER A 15 -8.915 -2.458 7.570 1.00 0.00 C ATOM 243 OG SER A 15 -9.971 -2.450 8.515 1.00 0.00 O ATOM 0 H SER A 15 -6.584 -3.836 6.249 1.00 0.00 H new ATOM 0 HA SER A 15 -7.795 -3.736 8.884 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.359 -1.522 7.633 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.325 -2.518 6.562 1.00 0.00 H new ATOM 0 HG SER A 15 -10.561 -1.687 8.340 1.00 0.00 H new ATOM 249 N ARG A 16 -9.869 -5.134 7.637 1.00 0.00 N ATOM 250 CA ARG A 16 -10.594 -6.314 7.178 1.00 0.00 C ATOM 251 C ARG A 16 -11.001 -6.164 5.716 1.00 0.00 C ATOM 252 O ARG A 16 -11.326 -5.065 5.262 1.00 0.00 O ATOM 253 CB ARG A 16 -11.832 -6.549 8.041 1.00 0.00 C ATOM 254 CG ARG A 16 -11.736 -7.786 8.920 1.00 0.00 C ATOM 255 CD ARG A 16 -13.087 -8.166 9.502 1.00 0.00 C ATOM 256 NE ARG A 16 -13.601 -9.407 8.928 1.00 0.00 N ATOM 257 CZ ARG A 16 -14.007 -10.444 9.654 1.00 0.00 C ATOM 258 NH1 ARG A 16 -13.962 -10.391 10.979 1.00 0.00 N ATOM 259 NH2 ARG A 16 -14.460 -11.536 9.055 1.00 0.00 N ATOM 0 H ARG A 16 -10.412 -4.510 8.234 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.931 -7.174 7.268 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -11.995 -5.676 8.673 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.704 -6.641 7.393 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.344 -8.618 8.336 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.029 -7.604 9.729 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.998 -8.276 10.583 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.799 -7.361 9.321 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.651 -9.482 7.912 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.615 -9.552 11.444 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.275 -11.189 11.532 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.497 -11.581 8.037 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.771 -12.331 9.612 1.00 0.00 H new ATOM 273 N GLU A 17 -10.974 -7.271 4.982 1.00 0.00 N ATOM 274 CA GLU A 17 -11.346 -7.267 3.571 1.00 0.00 C ATOM 275 C GLU A 17 -12.744 -6.694 3.370 1.00 0.00 C ATOM 276 O GLU A 17 -13.740 -7.323 3.732 1.00 0.00 O ATOM 277 CB GLU A 17 -11.279 -8.687 3.001 1.00 0.00 C ATOM 278 CG GLU A 17 -11.339 -8.736 1.484 1.00 0.00 C ATOM 279 CD GLU A 17 -12.749 -8.926 0.961 1.00 0.00 C ATOM 280 OE1 GLU A 17 -13.455 -9.823 1.469 1.00 0.00 O ATOM 281 OE2 GLU A 17 -13.148 -8.179 0.042 1.00 0.00 O ATOM 0 H GLU A 17 -10.698 -8.185 5.341 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.637 -6.632 3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.356 -9.161 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.103 -9.272 3.408 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.926 -7.812 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.710 -9.551 1.126 1.00 0.00 H new ATOM 288 N GLY A 18 -12.816 -5.501 2.785 1.00 0.00 N ATOM 289 CA GLY A 18 -14.101 -4.872 2.540 1.00 0.00 C ATOM 290 C GLY A 18 -14.060 -3.364 2.702 1.00 0.00 C ATOM 291 O GLY A 18 -15.031 -2.676 2.388 1.00 0.00 O ATOM 0 H GLY A 18 -12.008 -4.960 2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -14.432 -5.115 1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -14.840 -5.286 3.226 1.00 0.00 H new ATOM 295 N ALA A 19 -12.943 -2.852 3.209 1.00 0.00 N ATOM 296 CA ALA A 19 -12.786 -1.417 3.411 1.00 0.00 C ATOM 297 C ALA A 19 -12.566 -0.698 2.084 1.00 0.00 C ATOM 298 O ALA A 19 -11.532 -0.870 1.439 1.00 0.00 O ATOM 299 CB ALA A 19 -11.632 -1.138 4.365 1.00 0.00 C ATOM 0 H ALA A 19 -12.135 -3.409 3.487 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.706 -1.035 3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.528 -0.062 4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.832 -1.612 5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.709 -1.540 3.947 1.00 0.00 H new ATOM 305 N LYS A 20 -13.551 0.094 1.673 1.00 0.00 N ATOM 306 CA LYS A 20 -13.459 0.848 0.428 1.00 0.00 C ATOM 307 C LYS A 20 -12.823 2.214 0.680 1.00 0.00 C ATOM 308 O LYS A 20 -11.939 2.647 -0.059 1.00 0.00 O ATOM 309 CB LYS A 20 -14.848 0.982 -0.210 1.00 0.00 C ATOM 310 CG LYS A 20 -15.471 2.357 -0.079 1.00 0.00 C ATOM 311 CD LYS A 20 -16.274 2.471 1.206 1.00 0.00 C ATOM 312 CE LYS A 20 -17.643 1.826 1.070 1.00 0.00 C ATOM 313 NZ LYS A 20 -18.678 2.808 0.645 1.00 0.00 N ATOM 0 H LYS A 20 -14.423 0.230 2.185 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.819 0.309 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.774 0.730 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.515 0.250 0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.690 3.117 -0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.118 2.550 -0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.727 1.996 2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.391 3.522 1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.592 1.015 0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.932 1.383 2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.598 2.330 0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.745 3.569 1.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.415 3.212 -0.276 1.00 0.00 H new ATOM 327 N THR A 21 -13.257 2.871 1.747 1.00 0.00 N ATOM 328 CA THR A 21 -12.703 4.165 2.127 1.00 0.00 C ATOM 329 C THR A 21 -12.710 4.331 3.640 1.00 0.00 C ATOM 330 O THR A 21 -13.766 4.478 4.255 1.00 0.00 O ATOM 331 CB THR A 21 -13.476 5.310 1.470 1.00 0.00 C ATOM 332 OG1 THR A 21 -14.860 5.017 1.408 1.00 0.00 O ATOM 333 CG2 THR A 21 -13.004 5.618 0.067 1.00 0.00 C ATOM 0 H THR A 21 -13.992 2.529 2.366 1.00 0.00 H new ATOM 0 HA THR A 21 -11.672 4.200 1.775 1.00 0.00 H new ATOM 0 HB THR A 21 -13.291 6.181 2.098 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.334 5.764 0.986 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.592 6.439 -0.343 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.952 5.902 0.091 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.127 4.735 -0.560 1.00 0.00 H new ATOM 341 N ARG A 22 -11.523 4.304 4.233 1.00 0.00 N ATOM 342 CA ARG A 22 -11.387 4.458 5.675 1.00 0.00 C ATOM 343 C ARG A 22 -11.250 5.929 6.044 1.00 0.00 C ATOM 344 O ARG A 22 -11.440 6.807 5.203 1.00 0.00 O ATOM 345 CB ARG A 22 -10.176 3.674 6.183 1.00 0.00 C ATOM 346 CG ARG A 22 -10.546 2.488 7.060 1.00 0.00 C ATOM 347 CD ARG A 22 -10.652 2.889 8.523 1.00 0.00 C ATOM 348 NE ARG A 22 -11.142 1.794 9.357 1.00 0.00 N ATOM 349 CZ ARG A 22 -12.260 1.857 10.075 1.00 0.00 C ATOM 350 NH1 ARG A 22 -13.002 2.957 10.058 1.00 0.00 N ATOM 351 NH2 ARG A 22 -12.638 0.820 10.808 1.00 0.00 N ATOM 0 H ARG A 22 -10.641 4.177 3.737 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.285 4.062 6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.599 3.319 5.329 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.529 4.345 6.748 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.496 2.070 6.726 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.796 1.705 6.950 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.674 3.209 8.883 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.322 3.744 8.617 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.596 0.933 9.391 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.716 3.757 9.493 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.859 3.003 10.609 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.071 -0.028 10.822 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.496 0.870 11.358 1.00 0.00 H new ATOM 365 N LYS A 23 -10.924 6.194 7.302 1.00 0.00 N ATOM 366 CA LYS A 23 -10.768 7.562 7.773 1.00 0.00 C ATOM 367 C LYS A 23 -9.740 7.636 8.894 1.00 0.00 C ATOM 368 O LYS A 23 -9.651 6.736 9.731 1.00 0.00 O ATOM 369 CB LYS A 23 -12.113 8.113 8.256 1.00 0.00 C ATOM 370 CG LYS A 23 -12.030 9.525 8.814 1.00 0.00 C ATOM 371 CD LYS A 23 -13.286 9.893 9.587 1.00 0.00 C ATOM 372 CE LYS A 23 -13.192 11.291 10.174 1.00 0.00 C ATOM 373 NZ LYS A 23 -13.669 11.336 11.584 1.00 0.00 N ATOM 0 H LYS A 23 -10.763 5.481 8.013 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.413 8.170 6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.820 8.101 7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.512 7.451 9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.162 9.609 9.468 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.884 10.232 7.997 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.151 9.832 8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.445 9.171 10.388 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.158 11.634 10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.783 11.979 9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.588 12.307 11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.663 11.033 11.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.089 10.699 12.167 1.00 0.00 H new ATOM 387 N CYS A 24 -8.966 8.713 8.902 1.00 0.00 N ATOM 388 CA CYS A 24 -7.949 8.915 9.921 1.00 0.00 C ATOM 389 C CYS A 24 -8.481 9.814 11.028 1.00 0.00 C ATOM 390 O CYS A 24 -8.976 10.911 10.768 1.00 0.00 O ATOM 391 CB CYS A 24 -6.691 9.526 9.301 1.00 0.00 C ATOM 392 SG CYS A 24 -5.192 8.547 9.554 1.00 0.00 S ATOM 0 H CYS A 24 -9.025 9.461 8.211 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.691 7.947 10.352 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.852 9.654 8.231 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.538 10.520 9.721 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.184 9.144 8.992 1.00 0.00 H new ATOM 398 N VAL A 25 -8.392 9.334 12.262 1.00 0.00 N ATOM 399 CA VAL A 25 -8.885 10.080 13.412 1.00 0.00 C ATOM 400 C VAL A 25 -8.043 11.328 13.651 1.00 0.00 C ATOM 401 O VAL A 25 -8.468 12.251 14.347 1.00 0.00 O ATOM 402 CB VAL A 25 -8.888 9.213 14.684 1.00 0.00 C ATOM 403 CG1 VAL A 25 -9.951 9.695 15.660 1.00 0.00 C ATOM 404 CG2 VAL A 25 -9.104 7.749 14.328 1.00 0.00 C ATOM 0 H VAL A 25 -7.982 8.429 12.492 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.910 10.376 13.189 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.916 9.308 15.169 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.937 9.069 16.552 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.747 10.729 15.939 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.932 9.633 15.189 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.103 7.149 15.238 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.061 7.636 13.819 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.302 7.412 13.671 1.00 0.00 H new ATOM 414 N CYS A 26 -6.856 11.353 13.057 1.00 0.00 N ATOM 415 CA CYS A 26 -5.962 12.498 13.183 1.00 0.00 C ATOM 416 C CYS A 26 -6.524 13.706 12.438 1.00 0.00 C ATOM 417 O CYS A 26 -6.279 14.851 12.818 1.00 0.00 O ATOM 418 CB CYS A 26 -4.573 12.149 12.643 1.00 0.00 C ATOM 419 SG CYS A 26 -3.230 13.100 13.392 1.00 0.00 S ATOM 0 H CYS A 26 -6.490 10.593 12.483 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.878 12.751 14.240 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.387 11.087 12.807 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.562 12.312 11.565 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.096 12.733 12.873 1.00 0.00 H new ATOM 425 N GLY A 27 -7.282 13.439 11.377 1.00 0.00 N ATOM 426 CA GLY A 27 -7.874 14.511 10.596 1.00 0.00 C ATOM 427 C GLY A 27 -7.646 14.340 9.106 1.00 0.00 C ATOM 428 O GLY A 27 -7.057 15.205 8.460 1.00 0.00 O ATOM 0 H GLY A 27 -7.496 12.499 11.045 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.945 14.551 10.794 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.454 15.464 10.917 1.00 0.00 H new ATOM 432 N ARG A 28 -8.123 13.221 8.557 1.00 0.00 N ATOM 433 CA ARG A 28 -7.968 12.934 7.132 1.00 0.00 C ATOM 434 C ARG A 28 -8.790 11.712 6.729 1.00 0.00 C ATOM 435 O ARG A 28 -9.619 11.228 7.499 1.00 0.00 O ATOM 436 CB ARG A 28 -6.494 12.698 6.771 1.00 0.00 C ATOM 437 CG ARG A 28 -5.598 12.378 7.959 1.00 0.00 C ATOM 438 CD ARG A 28 -4.536 13.446 8.161 1.00 0.00 C ATOM 439 NE ARG A 28 -3.185 12.905 8.041 1.00 0.00 N ATOM 440 CZ ARG A 28 -2.091 13.563 8.414 1.00 0.00 C ATOM 441 NH1 ARG A 28 -2.186 14.781 8.929 1.00 0.00 N ATOM 442 NH2 ARG A 28 -0.899 13.000 8.271 1.00 0.00 N ATOM 0 H ARG A 28 -8.620 12.499 9.079 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.330 13.805 6.585 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.435 11.878 6.056 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.109 13.586 6.270 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.205 12.292 8.860 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.118 11.412 7.804 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.675 14.239 7.426 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.659 13.898 9.145 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.074 11.970 7.649 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.101 15.218 9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.344 15.281 9.214 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.822 12.063 7.875 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.059 13.504 8.557 1.00 0.00 H new ATOM 456 N THR A 29 -8.557 11.223 5.512 1.00 0.00 N ATOM 457 CA THR A 29 -9.277 10.061 4.999 1.00 0.00 C ATOM 458 C THR A 29 -8.341 9.141 4.219 1.00 0.00 C ATOM 459 O THR A 29 -7.527 9.602 3.417 1.00 0.00 O ATOM 460 CB THR A 29 -10.434 10.507 4.102 1.00 0.00 C ATOM 461 OG1 THR A 29 -11.335 11.331 4.821 1.00 0.00 O ATOM 462 CG2 THR A 29 -11.226 9.354 3.525 1.00 0.00 C ATOM 0 H THR A 29 -7.874 11.615 4.863 1.00 0.00 H new ATOM 0 HA THR A 29 -9.676 9.508 5.849 1.00 0.00 H new ATOM 0 HB THR A 29 -9.969 11.051 3.280 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.067 11.608 4.231 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.030 9.742 2.900 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.569 8.726 2.923 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.650 8.762 4.336 1.00 0.00 H new ATOM 470 N VAL A 30 -8.458 7.840 4.464 1.00 0.00 N ATOM 471 CA VAL A 30 -7.618 6.854 3.792 1.00 0.00 C ATOM 472 C VAL A 30 -8.360 6.186 2.639 1.00 0.00 C ATOM 473 O VAL A 30 -9.306 5.427 2.850 1.00 0.00 O ATOM 474 CB VAL A 30 -7.127 5.777 4.772 1.00 0.00 C ATOM 475 CG1 VAL A 30 -6.095 4.880 4.108 1.00 0.00 C ATOM 476 CG2 VAL A 30 -6.553 6.427 6.018 1.00 0.00 C ATOM 0 H VAL A 30 -9.127 7.443 5.124 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.757 7.391 3.395 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.975 5.157 5.064 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.760 4.124 4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.541 4.392 3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.243 5.480 3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.208 5.655 6.705 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.715 7.067 5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.323 7.027 6.503 1.00 0.00 H new ATOM 486 N ASN A 31 -7.929 6.490 1.421 1.00 0.00 N ATOM 487 CA ASN A 31 -8.545 5.926 0.223 1.00 0.00 C ATOM 488 C ASN A 31 -7.825 4.658 -0.228 1.00 0.00 C ATOM 489 O ASN A 31 -6.645 4.695 -0.578 1.00 0.00 O ATOM 490 CB ASN A 31 -8.538 6.956 -0.909 1.00 0.00 C ATOM 491 CG ASN A 31 -9.417 6.545 -2.073 1.00 0.00 C ATOM 492 OD1 ASN A 31 -10.530 6.054 -1.883 1.00 0.00 O ATOM 493 ND2 ASN A 31 -8.921 6.746 -3.288 1.00 0.00 N ATOM 0 H ASN A 31 -7.153 7.126 1.235 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.574 5.664 0.469 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.877 7.917 -0.523 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.516 7.097 -1.261 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.467 6.491 -4.111 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.994 7.156 -3.399 1.00 0.00 H new ATOM 500 N VAL A 32 -8.534 3.533 -0.206 1.00 0.00 N ATOM 501 CA VAL A 32 -7.954 2.268 -0.641 1.00 0.00 C ATOM 502 C VAL A 32 -7.642 2.297 -2.138 1.00 0.00 C ATOM 503 O VAL A 32 -7.657 3.360 -2.760 1.00 0.00 O ATOM 504 CB VAL A 32 -8.868 1.069 -0.304 1.00 0.00 C ATOM 505 CG1 VAL A 32 -9.467 1.238 1.084 1.00 0.00 C ATOM 506 CG2 VAL A 32 -9.966 0.888 -1.344 1.00 0.00 C ATOM 0 H VAL A 32 -9.503 3.472 0.106 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.021 2.137 -0.092 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.255 0.168 -0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.109 0.386 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.666 1.294 1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.055 2.155 1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.588 0.035 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.581 1.787 -1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.516 0.712 -2.321 1.00 0.00 H new ATOM 516 N LYS A 33 -7.354 1.131 -2.708 1.00 0.00 N ATOM 517 CA LYS A 33 -7.046 1.031 -4.132 1.00 0.00 C ATOM 518 C LYS A 33 -8.193 1.577 -4.978 1.00 0.00 C ATOM 519 O LYS A 33 -9.196 2.056 -4.449 1.00 0.00 O ATOM 520 CB LYS A 33 -6.768 -0.426 -4.510 1.00 0.00 C ATOM 521 CG LYS A 33 -5.435 -0.630 -5.211 1.00 0.00 C ATOM 522 CD LYS A 33 -5.621 -0.896 -6.696 1.00 0.00 C ATOM 523 CE LYS A 33 -5.018 0.216 -7.540 1.00 0.00 C ATOM 524 NZ LYS A 33 -5.817 0.476 -8.769 1.00 0.00 N ATOM 0 H LYS A 33 -7.327 0.243 -2.207 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.157 1.630 -4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.792 -1.037 -3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.568 -0.783 -5.158 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.812 0.254 -5.074 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.907 -1.467 -4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.156 -1.846 -6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.684 -0.989 -6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.956 1.129 -6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.999 -0.052 -7.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.685 1.464 -9.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.502 -0.160 -9.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.824 0.306 -8.571 1.00 0.00 H new ATOM 538 N ASP A 34 -8.049 1.483 -6.294 1.00 0.00 N ATOM 539 CA ASP A 34 -9.077 1.963 -7.209 1.00 0.00 C ATOM 540 C ASP A 34 -10.078 0.857 -7.502 1.00 0.00 C ATOM 541 O ASP A 34 -11.291 1.069 -7.449 1.00 0.00 O ATOM 542 CB ASP A 34 -8.444 2.454 -8.512 1.00 0.00 C ATOM 543 CG ASP A 34 -8.584 3.952 -8.696 1.00 0.00 C ATOM 544 OD1 ASP A 34 -9.732 4.435 -8.785 1.00 0.00 O ATOM 545 OD2 ASP A 34 -7.545 4.642 -8.753 1.00 0.00 O ATOM 0 H ASP A 34 -7.231 1.079 -6.751 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.598 2.796 -6.737 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.387 2.187 -8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.910 1.942 -9.354 1.00 0.00 H new ATOM 550 N ARG A 35 -9.561 -0.327 -7.803 1.00 0.00 N ATOM 551 CA ARG A 35 -10.406 -1.482 -8.072 1.00 0.00 C ATOM 552 C ARG A 35 -10.760 -2.194 -6.767 1.00 0.00 C ATOM 553 O ARG A 35 -11.591 -1.714 -5.996 1.00 0.00 O ATOM 554 CB ARG A 35 -9.706 -2.440 -9.038 1.00 0.00 C ATOM 555 CG ARG A 35 -9.745 -1.978 -10.485 1.00 0.00 C ATOM 556 CD ARG A 35 -10.105 -3.116 -11.425 1.00 0.00 C ATOM 557 NE ARG A 35 -11.537 -3.405 -11.413 1.00 0.00 N ATOM 558 CZ ARG A 35 -12.210 -3.847 -12.471 1.00 0.00 C ATOM 559 NH1 ARG A 35 -11.585 -4.051 -13.623 1.00 0.00 N ATOM 560 NH2 ARG A 35 -13.511 -4.085 -12.378 1.00 0.00 N ATOM 0 H ARG A 35 -8.560 -0.512 -7.867 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.330 -1.140 -8.539 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.667 -2.558 -8.731 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.174 -3.422 -8.966 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.473 -1.173 -10.591 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.774 -1.569 -10.763 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.795 -2.861 -12.438 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.552 -4.011 -11.139 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.050 -3.259 -10.543 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.584 -3.869 -13.700 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.105 -4.390 -14.432 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.996 -3.929 -11.494 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.027 -4.424 -13.190 1.00 0.00 H new ATOM 574 N ARG A 36 -10.127 -3.338 -6.522 1.00 0.00 N ATOM 575 CA ARG A 36 -10.370 -4.101 -5.304 1.00 0.00 C ATOM 576 C ARG A 36 -9.667 -3.463 -4.105 1.00 0.00 C ATOM 577 O ARG A 36 -10.219 -2.580 -3.448 1.00 0.00 O ATOM 578 CB ARG A 36 -9.905 -5.549 -5.483 1.00 0.00 C ATOM 579 CG ARG A 36 -10.182 -6.110 -6.869 1.00 0.00 C ATOM 580 CD ARG A 36 -9.288 -7.300 -7.179 1.00 0.00 C ATOM 581 NE ARG A 36 -10.003 -8.346 -7.905 1.00 0.00 N ATOM 582 CZ ARG A 36 -9.400 -9.316 -8.587 1.00 0.00 C ATOM 583 NH1 ARG A 36 -8.075 -9.372 -8.636 1.00 0.00 N ATOM 584 NH2 ARG A 36 -10.120 -10.230 -9.220 1.00 0.00 N ATOM 0 H ARG A 36 -9.442 -3.756 -7.152 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.443 -4.095 -5.110 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.835 -5.605 -5.285 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.400 -6.175 -4.741 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.227 -6.411 -6.938 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.025 -5.332 -7.616 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.434 -6.968 -7.769 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.893 -7.709 -6.249 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.023 -8.332 -7.888 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.517 -8.670 -8.150 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.615 -10.117 -9.160 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.139 -10.191 -9.185 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.656 -10.973 -9.742 1.00 0.00 H new ATOM 598 N ILE A 37 -8.451 -3.926 -3.824 1.00 0.00 N ATOM 599 CA ILE A 37 -7.675 -3.426 -2.694 1.00 0.00 C ATOM 600 C ILE A 37 -6.180 -3.616 -2.940 1.00 0.00 C ATOM 601 O ILE A 37 -5.776 -4.468 -3.733 1.00 0.00 O ATOM 602 CB ILE A 37 -8.095 -4.143 -1.386 1.00 0.00 C ATOM 603 CG1 ILE A 37 -8.881 -3.182 -0.487 1.00 0.00 C ATOM 604 CG2 ILE A 37 -6.891 -4.719 -0.644 1.00 0.00 C ATOM 605 CD1 ILE A 37 -8.019 -2.167 0.232 1.00 0.00 C ATOM 0 H ILE A 37 -7.981 -4.650 -4.367 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.877 -2.360 -2.589 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.738 -4.981 -1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.617 -2.654 -1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.434 -3.762 0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.228 -5.213 0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.382 -5.442 -1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.203 -3.914 -0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.649 -1.525 0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.300 -2.685 0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.486 -1.559 -0.499 1.00 0.00 H new ATOM 617 N PHE A 38 -5.366 -2.831 -2.245 1.00 0.00 N ATOM 618 CA PHE A 38 -3.918 -2.942 -2.360 1.00 0.00 C ATOM 619 C PHE A 38 -3.381 -3.913 -1.316 1.00 0.00 C ATOM 620 O PHE A 38 -3.925 -4.009 -0.220 1.00 0.00 O ATOM 621 CB PHE A 38 -3.263 -1.570 -2.186 1.00 0.00 C ATOM 622 CG PHE A 38 -2.096 -1.337 -3.102 1.00 0.00 C ATOM 623 CD1 PHE A 38 -0.949 -2.112 -2.999 1.00 0.00 C ATOM 624 CD2 PHE A 38 -2.141 -0.340 -4.063 1.00 0.00 C ATOM 625 CE1 PHE A 38 0.125 -1.898 -3.841 1.00 0.00 C ATOM 626 CE2 PHE A 38 -1.070 -0.122 -4.907 1.00 0.00 C ATOM 627 CZ PHE A 38 0.065 -0.902 -4.796 1.00 0.00 C ATOM 0 H PHE A 38 -5.684 -2.111 -1.596 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.677 -3.321 -3.353 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.010 -0.796 -2.360 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.930 -1.465 -1.154 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.896 -2.891 -2.253 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.025 0.274 -4.153 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.011 -2.509 -3.753 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.120 0.657 -5.653 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.904 -0.733 -5.455 1.00 0.00 H new ATOM 637 N GLY A 39 -2.335 -4.647 -1.674 1.00 0.00 N ATOM 638 CA GLY A 39 -1.739 -5.606 -0.757 1.00 0.00 C ATOM 639 C GLY A 39 -2.765 -6.481 -0.061 1.00 0.00 C ATOM 640 O GLY A 39 -3.334 -6.093 0.959 1.00 0.00 O ATOM 0 H GLY A 39 -1.885 -4.596 -2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.042 -6.240 -1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.159 -5.070 -0.006 1.00 0.00 H new ATOM 644 N ARG A 40 -3.001 -7.669 -0.607 1.00 0.00 N ATOM 645 CA ARG A 40 -3.946 -8.602 -0.008 1.00 0.00 C ATOM 646 C ARG A 40 -3.224 -9.530 0.956 1.00 0.00 C ATOM 647 O ARG A 40 -2.701 -10.572 0.562 1.00 0.00 O ATOM 648 CB ARG A 40 -4.665 -9.413 -1.085 1.00 0.00 C ATOM 649 CG ARG A 40 -6.177 -9.402 -0.937 1.00 0.00 C ATOM 650 CD ARG A 40 -6.659 -10.547 -0.062 1.00 0.00 C ATOM 651 NE ARG A 40 -6.849 -11.778 -0.825 1.00 0.00 N ATOM 652 CZ ARG A 40 -6.034 -12.827 -0.749 1.00 0.00 C ATOM 653 NH1 ARG A 40 -4.976 -12.794 0.052 1.00 0.00 N ATOM 654 NH2 ARG A 40 -6.276 -13.910 -1.475 1.00 0.00 N ATOM 0 H ARG A 40 -2.553 -8.007 -1.459 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.692 -8.030 0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.400 -9.017 -2.065 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.311 -10.443 -1.051 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.494 -8.453 -0.504 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.641 -9.474 -1.921 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.937 -10.723 0.735 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.598 -10.268 0.415 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.652 -11.837 -1.451 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.786 -11.963 0.612 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.353 -13.600 0.108 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.087 -13.939 -2.092 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.651 -14.714 -1.416 1.00 0.00 H new ATOM 668 N ALA A 41 -3.170 -9.121 2.217 1.00 0.00 N ATOM 669 CA ALA A 41 -2.477 -9.887 3.242 1.00 0.00 C ATOM 670 C ALA A 41 -3.426 -10.819 3.983 1.00 0.00 C ATOM 671 O ALA A 41 -4.369 -10.371 4.631 1.00 0.00 O ATOM 672 CB ALA A 41 -1.792 -8.948 4.217 1.00 0.00 C ATOM 0 H ALA A 41 -3.600 -8.260 2.554 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.726 -10.505 2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.276 -9.530 4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.071 -8.331 3.682 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.537 -8.308 4.690 1.00 0.00 H new ATOM 678 N ASP A 42 -3.161 -12.115 3.891 1.00 0.00 N ATOM 679 CA ASP A 42 -3.977 -13.111 4.572 1.00 0.00 C ATOM 680 C ASP A 42 -3.534 -13.264 6.023 1.00 0.00 C ATOM 681 O ASP A 42 -4.353 -13.485 6.914 1.00 0.00 O ATOM 682 CB ASP A 42 -3.880 -14.457 3.852 1.00 0.00 C ATOM 683 CG ASP A 42 -4.882 -15.467 4.372 1.00 0.00 C ATOM 684 OD1 ASP A 42 -4.574 -16.149 5.372 1.00 0.00 O ATOM 685 OD2 ASP A 42 -5.976 -15.579 3.778 1.00 0.00 O ATOM 0 H ASP A 42 -2.387 -12.502 3.351 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.014 -12.775 4.557 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.041 -14.307 2.785 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.873 -14.856 3.969 1.00 0.00 H new ATOM 690 N ASP A 43 -2.224 -13.183 6.243 1.00 0.00 N ATOM 691 CA ASP A 43 -1.663 -13.307 7.583 1.00 0.00 C ATOM 692 C ASP A 43 -1.613 -11.955 8.284 1.00 0.00 C ATOM 693 O ASP A 43 -1.230 -10.950 7.683 1.00 0.00 O ATOM 694 CB ASP A 43 -0.259 -13.914 7.518 1.00 0.00 C ATOM 695 CG ASP A 43 -0.026 -14.951 8.599 1.00 0.00 C ATOM 696 OD1 ASP A 43 -0.452 -14.715 9.750 1.00 0.00 O ATOM 697 OD2 ASP A 43 0.580 -16.000 8.295 1.00 0.00 O ATOM 0 H ASP A 43 -1.532 -13.032 5.509 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.311 -13.968 8.158 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.109 -14.373 6.540 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.482 -13.120 7.614 1.00 0.00 H new ATOM 702 N PHE A 44 -1.995 -11.933 9.559 1.00 0.00 N ATOM 703 CA PHE A 44 -1.971 -10.703 10.340 1.00 0.00 C ATOM 704 C PHE A 44 -0.573 -10.093 10.336 1.00 0.00 C ATOM 705 O PHE A 44 -0.414 -8.879 10.209 1.00 0.00 O ATOM 706 CB PHE A 44 -2.431 -10.966 11.777 1.00 0.00 C ATOM 707 CG PHE A 44 -1.653 -12.044 12.478 1.00 0.00 C ATOM 708 CD1 PHE A 44 -2.028 -13.373 12.364 1.00 0.00 C ATOM 709 CD2 PHE A 44 -0.558 -11.724 13.265 1.00 0.00 C ATOM 710 CE1 PHE A 44 -1.316 -14.365 13.011 1.00 0.00 C ATOM 711 CE2 PHE A 44 0.158 -12.713 13.914 1.00 0.00 C ATOM 712 CZ PHE A 44 -0.222 -14.035 13.788 1.00 0.00 C ATOM 0 H PHE A 44 -2.324 -12.752 10.070 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.661 -9.995 9.880 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.349 -10.042 12.349 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.486 -11.241 11.766 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.886 -13.636 11.763 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.261 -10.691 13.373 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.615 -15.398 12.909 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.014 -12.452 14.519 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.335 -14.809 14.296 1.00 0.00 H new ATOM 722 N GLU A 45 0.439 -10.947 10.467 1.00 0.00 N ATOM 723 CA GLU A 45 1.825 -10.498 10.454 1.00 0.00 C ATOM 724 C GLU A 45 2.207 -9.983 9.072 1.00 0.00 C ATOM 725 O GLU A 45 2.997 -9.048 8.942 1.00 0.00 O ATOM 726 CB GLU A 45 2.759 -11.638 10.864 1.00 0.00 C ATOM 727 CG GLU A 45 3.607 -11.319 12.085 1.00 0.00 C ATOM 728 CD GLU A 45 4.697 -12.345 12.325 1.00 0.00 C ATOM 729 OE1 GLU A 45 5.464 -12.629 11.381 1.00 0.00 O ATOM 730 OE2 GLU A 45 4.784 -12.865 13.458 1.00 0.00 O ATOM 0 H GLU A 45 0.323 -11.954 10.583 1.00 0.00 H new ATOM 0 HA GLU A 45 1.927 -9.684 11.171 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.164 -12.529 11.067 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.416 -11.877 10.028 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.060 -10.336 11.960 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.965 -11.265 12.964 1.00 0.00 H new ATOM 737 N GLU A 46 1.636 -10.600 8.042 1.00 0.00 N ATOM 738 CA GLU A 46 1.900 -10.198 6.666 1.00 0.00 C ATOM 739 C GLU A 46 1.306 -8.823 6.390 1.00 0.00 C ATOM 740 O GLU A 46 1.781 -8.093 5.521 1.00 0.00 O ATOM 741 CB GLU A 46 1.320 -11.224 5.692 1.00 0.00 C ATOM 742 CG GLU A 46 1.703 -10.975 4.242 1.00 0.00 C ATOM 743 CD GLU A 46 1.238 -12.082 3.317 1.00 0.00 C ATOM 744 OE1 GLU A 46 0.064 -12.495 3.426 1.00 0.00 O ATOM 745 OE2 GLU A 46 2.048 -12.537 2.481 1.00 0.00 O ATOM 0 H GLU A 46 0.987 -11.381 8.135 1.00 0.00 H new ATOM 0 HA GLU A 46 2.979 -10.148 6.523 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.658 -12.219 5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.233 -11.219 5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.273 -10.028 3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.786 -10.876 4.168 1.00 0.00 H new ATOM 752 N ALA A 47 0.257 -8.482 7.134 1.00 0.00 N ATOM 753 CA ALA A 47 -0.401 -7.190 6.986 1.00 0.00 C ATOM 754 C ALA A 47 0.576 -6.047 7.244 1.00 0.00 C ATOM 755 O ALA A 47 0.793 -5.196 6.382 1.00 0.00 O ATOM 756 CB ALA A 47 -1.590 -7.095 7.931 1.00 0.00 C ATOM 0 H ALA A 47 -0.155 -9.085 7.846 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.758 -7.104 5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.073 -6.125 7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.303 -7.887 7.700 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.247 -7.205 8.960 1.00 0.00 H new ATOM 762 N SER A 48 1.160 -6.036 8.438 1.00 0.00 N ATOM 763 CA SER A 48 2.110 -4.997 8.824 1.00 0.00 C ATOM 764 C SER A 48 3.309 -4.966 7.880 1.00 0.00 C ATOM 765 O SER A 48 3.851 -3.900 7.588 1.00 0.00 O ATOM 766 CB SER A 48 2.586 -5.222 10.260 1.00 0.00 C ATOM 767 OG SER A 48 3.192 -4.056 10.786 1.00 0.00 O ATOM 0 H SER A 48 0.991 -6.738 9.158 1.00 0.00 H new ATOM 0 HA SER A 48 1.599 -4.036 8.760 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.741 -5.510 10.885 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.297 -6.048 10.285 1.00 0.00 H new ATOM 0 HG SER A 48 3.486 -4.226 11.705 1.00 0.00 H new ATOM 773 N GLU A 49 3.722 -6.139 7.412 1.00 0.00 N ATOM 774 CA GLU A 49 4.865 -6.242 6.511 1.00 0.00 C ATOM 775 C GLU A 49 4.537 -5.649 5.145 1.00 0.00 C ATOM 776 O GLU A 49 5.378 -4.999 4.523 1.00 0.00 O ATOM 777 CB GLU A 49 5.286 -7.703 6.360 1.00 0.00 C ATOM 778 CG GLU A 49 6.467 -8.088 7.238 1.00 0.00 C ATOM 779 CD GLU A 49 7.191 -9.321 6.736 1.00 0.00 C ATOM 780 OE1 GLU A 49 8.113 -9.171 5.907 1.00 0.00 O ATOM 781 OE2 GLU A 49 6.837 -10.437 7.173 1.00 0.00 O ATOM 0 H GLU A 49 3.283 -7.031 7.641 1.00 0.00 H new ATOM 0 HA GLU A 49 5.690 -5.675 6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.439 -8.344 6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.541 -7.893 5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.167 -7.254 7.284 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.116 -8.266 8.254 1.00 0.00 H new ATOM 788 N LEU A 50 3.310 -5.873 4.685 1.00 0.00 N ATOM 789 CA LEU A 50 2.868 -5.352 3.399 1.00 0.00 C ATOM 790 C LEU A 50 2.759 -3.833 3.441 1.00 0.00 C ATOM 791 O LEU A 50 3.157 -3.145 2.501 1.00 0.00 O ATOM 792 CB LEU A 50 1.519 -5.965 3.016 1.00 0.00 C ATOM 793 CG LEU A 50 1.536 -6.826 1.751 1.00 0.00 C ATOM 794 CD1 LEU A 50 0.179 -7.472 1.526 1.00 0.00 C ATOM 795 CD2 LEU A 50 1.941 -5.990 0.548 1.00 0.00 C ATOM 0 H LEU A 50 2.604 -6.413 5.186 1.00 0.00 H new ATOM 0 HA LEU A 50 3.608 -5.624 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.165 -6.574 3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.797 -5.160 2.880 1.00 0.00 H new ATOM 0 HG LEU A 50 2.272 -7.620 1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.211 -8.080 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.070 -8.103 2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.579 -6.697 1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.949 -6.616 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.229 -5.176 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.937 -5.577 0.710 1.00 0.00 H new ATOM 807 N VAL A 51 2.231 -3.318 4.547 1.00 0.00 N ATOM 808 CA VAL A 51 2.077 -1.880 4.730 1.00 0.00 C ATOM 809 C VAL A 51 3.435 -1.191 4.796 1.00 0.00 C ATOM 810 O VAL A 51 3.597 -0.069 4.315 1.00 0.00 O ATOM 811 CB VAL A 51 1.292 -1.564 6.015 1.00 0.00 C ATOM 812 CG1 VAL A 51 1.177 -0.062 6.225 1.00 0.00 C ATOM 813 CG2 VAL A 51 -0.084 -2.210 5.974 1.00 0.00 C ATOM 0 H VAL A 51 1.901 -3.879 5.333 1.00 0.00 H new ATOM 0 HA VAL A 51 1.522 -1.504 3.870 1.00 0.00 H new ATOM 0 HB VAL A 51 1.841 -1.981 6.860 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.618 0.136 7.140 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.174 0.371 6.308 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.657 0.385 5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.624 -1.975 6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.640 -1.828 5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.024 -3.291 5.883 1.00 0.00 H new ATOM 823 N ARG A 52 4.412 -1.872 5.393 1.00 0.00 N ATOM 824 CA ARG A 52 5.756 -1.322 5.512 1.00 0.00 C ATOM 825 C ARG A 52 6.345 -1.081 4.129 1.00 0.00 C ATOM 826 O ARG A 52 6.933 -0.033 3.868 1.00 0.00 O ATOM 827 CB ARG A 52 6.654 -2.271 6.309 1.00 0.00 C ATOM 828 CG ARG A 52 7.568 -1.560 7.293 1.00 0.00 C ATOM 829 CD ARG A 52 8.656 -2.485 7.812 1.00 0.00 C ATOM 830 NE ARG A 52 9.585 -1.793 8.701 1.00 0.00 N ATOM 831 CZ ARG A 52 10.664 -1.141 8.279 1.00 0.00 C ATOM 832 NH1 ARG A 52 10.949 -1.091 6.984 1.00 0.00 N ATOM 833 NH2 ARG A 52 11.458 -0.537 9.152 1.00 0.00 N ATOM 0 H ARG A 52 4.297 -2.801 5.799 1.00 0.00 H new ATOM 0 HA ARG A 52 5.698 -0.372 6.043 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.028 -2.979 6.853 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.262 -2.851 5.615 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.024 -0.696 6.809 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.980 -1.183 8.130 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.199 -3.319 8.344 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.206 -2.906 6.970 1.00 0.00 H new ATOM 0 HE ARG A 52 9.395 -1.811 9.703 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.340 -1.554 6.309 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.778 -0.590 6.663 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.241 -0.572 10.148 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.286 -0.037 8.828 1.00 0.00 H new ATOM 847 N LYS A 53 6.169 -2.053 3.243 1.00 0.00 N ATOM 848 CA LYS A 53 6.626 -1.916 1.871 1.00 0.00 C ATOM 849 C LYS A 53 5.782 -0.871 1.152 1.00 0.00 C ATOM 850 O LYS A 53 6.281 -0.116 0.317 1.00 0.00 O ATOM 851 CB LYS A 53 6.537 -3.257 1.139 1.00 0.00 C ATOM 852 CG LYS A 53 7.873 -3.752 0.610 1.00 0.00 C ATOM 853 CD LYS A 53 7.718 -5.048 -0.168 1.00 0.00 C ATOM 854 CE LYS A 53 7.838 -6.261 0.740 1.00 0.00 C ATOM 855 NZ LYS A 53 9.167 -6.327 1.409 1.00 0.00 N ATOM 0 H LYS A 53 5.714 -2.942 3.452 1.00 0.00 H new ATOM 0 HA LYS A 53 7.668 -1.596 1.877 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.125 -4.005 1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.839 -3.162 0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.315 -2.991 -0.033 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.561 -3.906 1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.749 -5.060 -0.667 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.478 -5.099 -0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.053 -6.228 1.495 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.680 -7.168 0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.373 -7.311 1.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.901 -5.983 0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.156 -5.733 2.263 1.00 0.00 H new ATOM 869 N LEU A 54 4.492 -0.846 1.482 1.00 0.00 N ATOM 870 CA LEU A 54 3.563 0.110 0.892 1.00 0.00 C ATOM 871 C LEU A 54 3.868 1.531 1.355 1.00 0.00 C ATOM 872 O LEU A 54 3.330 2.497 0.813 1.00 0.00 O ATOM 873 CB LEU A 54 2.123 -0.258 1.261 1.00 0.00 C ATOM 874 CG LEU A 54 1.243 -0.716 0.094 1.00 0.00 C ATOM 875 CD1 LEU A 54 1.132 0.379 -0.956 1.00 0.00 C ATOM 876 CD2 LEU A 54 1.791 -1.995 -0.520 1.00 0.00 C ATOM 0 H LEU A 54 4.067 -1.481 2.158 1.00 0.00 H new ATOM 0 HA LEU A 54 3.681 0.070 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.149 -1.051 2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.654 0.607 1.730 1.00 0.00 H new ATOM 0 HG LEU A 54 0.244 -0.922 0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.503 0.034 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.689 1.269 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.125 0.620 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.152 -2.304 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.801 -1.818 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.813 -2.781 0.235 1.00 0.00 H new ATOM 888 N GLN A 55 4.724 1.652 2.366 1.00 0.00 N ATOM 889 CA GLN A 55 5.080 2.957 2.912 1.00 0.00 C ATOM 890 C GLN A 55 5.860 3.784 1.895 1.00 0.00 C ATOM 891 O GLN A 55 5.962 3.415 0.725 1.00 0.00 O ATOM 892 CB GLN A 55 5.906 2.797 4.189 1.00 0.00 C ATOM 893 CG GLN A 55 5.079 2.877 5.462 1.00 0.00 C ATOM 894 CD GLN A 55 4.390 4.217 5.625 1.00 0.00 C ATOM 895 OE1 GLN A 55 3.272 4.415 5.150 1.00 0.00 O ATOM 896 NE2 GLN A 55 5.057 5.147 6.298 1.00 0.00 N ATOM 0 H GLN A 55 5.183 0.864 2.823 1.00 0.00 H new ATOM 0 HA GLN A 55 4.154 3.481 3.148 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.422 1.837 4.160 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.673 3.571 4.215 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.330 2.086 5.455 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.724 2.697 6.322 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.982 4.939 6.675 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.645 6.069 6.438 1.00 0.00 H new