USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 404 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ -164:sc= -0.187 (180deg=-0.729) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc=-0.00445 X(o=-0.0044,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.496 X(o=-0.5,f=-0.2) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -1.45 K(o=-1.4,f=-0.012) USER MOD Single : A 23 MET CE :methyl -163:sc= -0.0138 (180deg=-0.391) USER MOD Single : A 24 TYR OH : rot -15:sc= 1.23 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.538 X(o=-0.54,f=-0.72) USER MOD Single : A 46 TYR OH : rot 160:sc= 0.55 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.806 18.111 6.175 1.00 0.00 N ATOM 2 CA VAL A 1 7.157 18.670 7.382 1.00 0.00 C ATOM 3 C VAL A 1 5.911 17.933 7.730 1.00 0.00 C ATOM 4 O VAL A 1 5.346 17.246 6.880 1.00 0.00 O ATOM 5 CB VAL A 1 6.950 20.154 7.298 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.297 20.859 7.067 1.00 0.00 C ATOM 7 CG2 VAL A 1 5.923 20.558 6.227 1.00 0.00 C ATOM 0 H1 VAL A 1 8.786 18.455 6.117 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.807 17.072 6.231 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.282 18.412 5.328 1.00 0.00 H new ATOM 0 HA VAL A 1 7.852 18.519 8.208 1.00 0.00 H new ATOM 0 HB VAL A 1 6.533 20.477 8.252 1.00 0.00 H new ATOM 0 HG11 VAL A 1 8.139 21.936 7.007 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.971 20.637 7.895 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.738 20.505 6.135 1.00 0.00 H new ATOM 0 HG21 VAL A 1 5.817 21.643 6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 1 6.263 20.216 5.250 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.960 20.102 6.456 1.00 0.00 H new ATOM 19 N VAL A 2 5.483 17.964 9.005 1.00 0.00 N ATOM 20 CA VAL A 2 4.439 17.142 9.532 1.00 0.00 C ATOM 21 C VAL A 2 3.111 17.808 9.414 1.00 0.00 C ATOM 22 O VAL A 2 2.771 18.714 10.171 1.00 0.00 O ATOM 23 CB VAL A 2 4.686 16.760 10.962 1.00 0.00 C ATOM 24 CG1 VAL A 2 3.615 15.770 11.452 1.00 0.00 C ATOM 25 CG2 VAL A 2 6.080 16.126 11.101 1.00 0.00 C ATOM 0 H VAL A 2 5.884 18.592 9.701 1.00 0.00 H new ATOM 0 HA VAL A 2 4.434 16.232 8.933 1.00 0.00 H new ATOM 0 HB VAL A 2 4.634 17.661 11.574 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.812 15.506 12.491 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.631 16.232 11.376 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.643 14.870 10.837 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.253 15.851 12.142 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.138 15.235 10.476 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.839 16.842 10.784 1.00 0.00 H new ATOM 35 N SER A 3 2.302 17.378 8.429 1.00 0.00 N ATOM 36 CA SER A 3 0.949 17.788 8.216 1.00 0.00 C ATOM 37 C SER A 3 0.134 16.553 8.040 1.00 0.00 C ATOM 38 O SER A 3 0.673 15.449 7.970 1.00 0.00 O ATOM 39 CB SER A 3 0.744 18.707 7.000 1.00 0.00 C ATOM 40 OG SER A 3 1.406 19.948 7.199 1.00 0.00 O ATOM 0 H SER A 3 2.615 16.699 7.736 1.00 0.00 H new ATOM 0 HA SER A 3 0.646 18.378 9.081 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.128 18.223 6.102 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.321 18.877 6.840 1.00 0.00 H new ATOM 0 HG SER A 3 1.268 20.522 6.416 1.00 0.00 H new ATOM 46 N HIS A 4 -1.204 16.659 7.956 1.00 0.00 N ATOM 47 CA HIS A 4 -2.048 15.508 7.885 1.00 0.00 C ATOM 48 C HIS A 4 -2.253 15.046 6.484 1.00 0.00 C ATOM 49 O HIS A 4 -2.190 15.810 5.521 1.00 0.00 O ATOM 50 CB HIS A 4 -3.435 15.792 8.485 1.00 0.00 C ATOM 51 CG HIS A 4 -3.394 16.179 9.934 1.00 0.00 C ATOM 52 ND1 HIS A 4 -4.349 16.985 10.495 1.00 0.00 N ATOM 53 CD2 HIS A 4 -2.528 15.849 10.929 1.00 0.00 C ATOM 54 CE1 HIS A 4 -4.068 17.161 11.774 1.00 0.00 C ATOM 55 NE2 HIS A 4 -2.973 16.479 12.060 1.00 0.00 N ATOM 0 H HIS A 4 -1.704 17.548 7.937 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.536 14.733 8.456 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -3.911 16.592 7.917 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.059 14.906 8.372 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.659 15.214 10.844 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -4.637 17.761 12.468 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -2.530 16.430 12.977 1.00 0.00 H new ATOM 64 N PHE A 5 -2.469 13.725 6.344 1.00 0.00 N ATOM 65 CA PHE A 5 -2.471 12.998 5.112 1.00 0.00 C ATOM 66 C PHE A 5 -3.751 12.261 4.919 1.00 0.00 C ATOM 67 O PHE A 5 -4.504 12.029 5.864 1.00 0.00 O ATOM 68 CB PHE A 5 -1.248 12.074 4.976 1.00 0.00 C ATOM 69 CG PHE A 5 -1.056 11.181 6.153 1.00 0.00 C ATOM 70 CD1 PHE A 5 -1.699 9.968 6.222 1.00 0.00 C ATOM 71 CD2 PHE A 5 -0.252 11.577 7.197 1.00 0.00 C ATOM 72 CE1 PHE A 5 -1.553 9.162 7.326 1.00 0.00 C ATOM 73 CE2 PHE A 5 -0.096 10.773 8.301 1.00 0.00 C ATOM 74 CZ PHE A 5 -0.751 9.566 8.366 1.00 0.00 C ATOM 0 H PHE A 5 -2.655 13.125 7.148 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.392 13.731 4.309 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.359 11.464 4.079 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -0.354 12.682 4.839 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.324 9.646 5.402 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.260 12.527 7.149 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.067 8.214 7.376 1.00 0.00 H new ATOM 0 HE2 PHE A 5 0.539 11.089 9.115 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.635 8.935 9.235 1.00 0.00 H new ATOM 84 N ASN A 6 -4.056 11.861 3.671 1.00 0.00 N ATOM 85 CA ASN A 6 -5.244 11.144 3.329 1.00 0.00 C ATOM 86 C ASN A 6 -4.929 9.910 2.554 1.00 0.00 C ATOM 87 O ASN A 6 -3.821 9.711 2.058 1.00 0.00 O ATOM 88 CB ASN A 6 -6.220 12.024 2.530 1.00 0.00 C ATOM 89 CG ASN A 6 -6.938 12.969 3.483 1.00 0.00 C ATOM 90 OD1 ASN A 6 -6.648 14.160 3.577 1.00 0.00 O ATOM 91 ND2 ASN A 6 -7.922 12.410 4.237 1.00 0.00 N ATOM 0 H ASN A 6 -3.451 12.044 2.870 1.00 0.00 H new ATOM 0 HA ASN A 6 -5.722 10.856 4.265 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.679 12.593 1.774 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.943 11.401 2.004 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -8.442 12.982 4.903 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -8.140 11.419 4.137 1.00 0.00 H new ATOM 98 N ASP A 7 -5.931 9.021 2.443 1.00 0.00 N ATOM 99 CA ASP A 7 -5.848 7.762 1.770 1.00 0.00 C ATOM 100 C ASP A 7 -6.056 7.914 0.302 1.00 0.00 C ATOM 101 O ASP A 7 -6.791 8.783 -0.164 1.00 0.00 O ATOM 102 CB ASP A 7 -6.924 6.803 2.306 1.00 0.00 C ATOM 103 CG ASP A 7 -6.838 6.613 3.814 1.00 0.00 C ATOM 104 OD1 ASP A 7 -5.942 5.869 4.295 1.00 0.00 O ATOM 105 OD2 ASP A 7 -7.704 7.163 4.545 1.00 0.00 O ATOM 0 H ASP A 7 -6.852 9.191 2.846 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.850 7.363 1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.910 7.188 2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.821 5.835 1.815 1.00 0.00 H new ATOM 110 N CYS A 8 -5.427 7.045 -0.510 1.00 0.00 N ATOM 111 CA CYS A 8 -5.601 6.983 -1.928 1.00 0.00 C ATOM 112 C CYS A 8 -6.989 6.671 -2.373 1.00 0.00 C ATOM 113 O CYS A 8 -7.736 6.058 -1.612 1.00 0.00 O ATOM 114 CB CYS A 8 -4.684 5.895 -2.510 1.00 0.00 C ATOM 115 SG CYS A 8 -3.045 6.509 -2.994 1.00 0.00 S ATOM 0 H CYS A 8 -4.765 6.352 -0.160 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.357 7.983 -2.288 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.562 5.101 -1.773 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.168 5.451 -3.380 1.00 0.00 H new ATOM 120 N PRO A 9 -7.414 7.007 -3.554 1.00 0.00 N ATOM 121 CA PRO A 9 -8.645 6.514 -4.100 1.00 0.00 C ATOM 122 C PRO A 9 -8.550 5.085 -4.508 1.00 0.00 C ATOM 123 O PRO A 9 -7.470 4.498 -4.473 1.00 0.00 O ATOM 124 CB PRO A 9 -8.888 7.414 -5.309 1.00 0.00 C ATOM 125 CG PRO A 9 -7.478 7.775 -5.800 1.00 0.00 C ATOM 126 CD PRO A 9 -6.711 7.891 -4.473 1.00 0.00 C ATOM 0 HA PRO A 9 -9.456 6.542 -3.372 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.459 6.898 -6.081 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.454 8.304 -5.035 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.060 7.005 -6.449 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.466 8.708 -6.363 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.670 7.591 -4.591 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.707 8.918 -4.108 1.00 0.00 H new ATOM 134 N LEU A 10 -9.678 4.476 -4.915 1.00 0.00 N ATOM 135 CA LEU A 10 -9.798 3.088 -5.239 1.00 0.00 C ATOM 136 C LEU A 10 -8.903 2.636 -6.340 1.00 0.00 C ATOM 137 O LEU A 10 -8.233 1.609 -6.241 1.00 0.00 O ATOM 138 CB LEU A 10 -11.268 2.752 -5.542 1.00 0.00 C ATOM 139 CG LEU A 10 -11.603 1.262 -5.724 1.00 0.00 C ATOM 140 CD1 LEU A 10 -13.009 0.948 -5.186 1.00 0.00 C ATOM 141 CD2 LEU A 10 -11.533 0.799 -7.188 1.00 0.00 C ATOM 0 H LEU A 10 -10.557 4.982 -5.024 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.463 2.534 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.883 3.144 -4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.560 3.282 -6.449 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.844 0.721 -5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.224 -0.111 -5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.055 1.191 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.746 1.542 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.780 -0.261 -7.247 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.244 1.371 -7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.526 0.958 -7.572 1.00 0.00 H new ATOM 153 N SER A 11 -8.847 3.407 -7.441 1.00 0.00 N ATOM 154 CA SER A 11 -8.041 3.106 -8.583 1.00 0.00 C ATOM 155 C SER A 11 -6.864 4.018 -8.623 1.00 0.00 C ATOM 156 O SER A 11 -6.998 5.205 -8.919 1.00 0.00 O ATOM 157 CB SER A 11 -8.818 3.274 -9.901 1.00 0.00 C ATOM 158 OG SER A 11 -10.068 2.604 -9.827 1.00 0.00 O ATOM 0 H SER A 11 -9.382 4.270 -7.539 1.00 0.00 H new ATOM 0 HA SER A 11 -7.730 2.065 -8.489 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.977 4.333 -10.104 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.233 2.875 -10.729 1.00 0.00 H new ATOM 0 HG SER A 11 -10.552 2.721 -10.671 1.00 0.00 H new ATOM 164 N HIS A 12 -5.651 3.525 -8.314 1.00 0.00 N ATOM 165 CA HIS A 12 -4.482 4.347 -8.323 1.00 0.00 C ATOM 166 C HIS A 12 -3.269 3.551 -8.665 1.00 0.00 C ATOM 167 O HIS A 12 -2.172 3.812 -8.174 1.00 0.00 O ATOM 168 CB HIS A 12 -4.309 5.043 -6.962 1.00 0.00 C ATOM 169 CG HIS A 12 -3.337 6.186 -6.928 1.00 0.00 C ATOM 170 ND1 HIS A 12 -3.622 7.423 -7.444 1.00 0.00 N ATOM 171 CD2 HIS A 12 -2.093 6.269 -6.383 1.00 0.00 C ATOM 172 CE1 HIS A 12 -2.603 8.231 -7.222 1.00 0.00 C ATOM 173 NE2 HIS A 12 -1.667 7.555 -6.581 1.00 0.00 N ATOM 0 H HIS A 12 -5.480 2.553 -8.057 1.00 0.00 H new ATOM 0 HA HIS A 12 -4.608 5.110 -9.091 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -5.283 5.410 -6.637 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.990 4.298 -6.233 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.549 5.476 -5.891 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -2.544 9.269 -7.515 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -0.768 7.932 -6.281 1.00 0.00 H new ATOM 182 N ASP A 13 -3.410 2.546 -9.547 1.00 0.00 N ATOM 183 CA ASP A 13 -2.415 1.572 -9.875 1.00 0.00 C ATOM 184 C ASP A 13 -1.384 2.140 -10.789 1.00 0.00 C ATOM 185 O ASP A 13 -1.699 2.837 -11.752 1.00 0.00 O ATOM 186 CB ASP A 13 -3.155 0.376 -10.498 1.00 0.00 C ATOM 187 CG ASP A 13 -2.310 -0.861 -10.767 1.00 0.00 C ATOM 188 OD1 ASP A 13 -1.416 -0.815 -11.654 1.00 0.00 O ATOM 189 OD2 ASP A 13 -2.597 -1.916 -10.142 1.00 0.00 O ATOM 0 H ASP A 13 -4.277 2.405 -10.065 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.870 1.252 -8.987 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.975 0.096 -9.836 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.601 0.699 -11.439 1.00 0.00 H new ATOM 194 N GLY A 14 -0.091 1.876 -10.532 1.00 0.00 N ATOM 195 CA GLY A 14 0.942 2.375 -11.384 1.00 0.00 C ATOM 196 C GLY A 14 2.286 1.900 -10.950 1.00 0.00 C ATOM 197 O GLY A 14 2.785 0.887 -11.435 1.00 0.00 O ATOM 0 H GLY A 14 0.237 1.322 -9.741 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.756 2.055 -12.409 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.922 3.465 -11.382 1.00 0.00 H new ATOM 201 N TYR A 15 2.919 2.616 -10.002 1.00 0.00 N ATOM 202 CA TYR A 15 4.155 2.206 -9.411 1.00 0.00 C ATOM 203 C TYR A 15 3.906 1.200 -8.341 1.00 0.00 C ATOM 204 O TYR A 15 4.515 0.131 -8.315 1.00 0.00 O ATOM 205 CB TYR A 15 4.957 3.400 -8.868 1.00 0.00 C ATOM 206 CG TYR A 15 6.352 2.975 -8.562 1.00 0.00 C ATOM 207 CD1 TYR A 15 7.204 2.663 -9.595 1.00 0.00 C ATOM 208 CD2 TYR A 15 6.761 2.771 -7.265 1.00 0.00 C ATOM 209 CE1 TYR A 15 8.446 2.132 -9.337 1.00 0.00 C ATOM 210 CE2 TYR A 15 8.005 2.246 -7.001 1.00 0.00 C ATOM 211 CZ TYR A 15 8.849 1.932 -8.039 1.00 0.00 C ATOM 212 OH TYR A 15 10.116 1.358 -7.798 1.00 0.00 O ATOM 0 H TYR A 15 2.563 3.500 -9.638 1.00 0.00 H new ATOM 0 HA TYR A 15 4.760 1.746 -10.192 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.966 4.207 -9.601 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.481 3.791 -7.969 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.896 2.836 -10.616 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.101 3.025 -6.448 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.104 1.873 -10.154 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.317 2.081 -5.980 1.00 0.00 H new ATOM 0 HH TYR A 15 10.261 1.280 -6.832 1.00 0.00 H new ATOM 222 N CYS A 16 2.966 1.492 -7.424 1.00 0.00 N ATOM 223 CA CYS A 16 2.565 0.553 -6.425 1.00 0.00 C ATOM 224 C CYS A 16 1.450 -0.276 -6.964 1.00 0.00 C ATOM 225 O CYS A 16 0.485 0.220 -7.543 1.00 0.00 O ATOM 226 CB CYS A 16 2.135 1.235 -5.115 1.00 0.00 C ATOM 227 SG CYS A 16 3.452 2.304 -4.469 1.00 0.00 S ATOM 0 H CYS A 16 2.480 2.388 -7.376 1.00 0.00 H new ATOM 0 HA CYS A 16 3.424 -0.073 -6.184 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.235 1.826 -5.288 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.881 0.477 -4.374 1.00 0.00 H new ATOM 232 N LEU A 17 1.581 -1.608 -6.832 1.00 0.00 N ATOM 233 CA LEU A 17 0.804 -2.550 -7.577 1.00 0.00 C ATOM 234 C LEU A 17 0.396 -3.671 -6.685 1.00 0.00 C ATOM 235 O LEU A 17 0.966 -3.885 -5.617 1.00 0.00 O ATOM 236 CB LEU A 17 1.561 -3.000 -8.839 1.00 0.00 C ATOM 237 CG LEU A 17 2.956 -3.607 -8.618 1.00 0.00 C ATOM 238 CD1 LEU A 17 2.914 -5.144 -8.608 1.00 0.00 C ATOM 239 CD2 LEU A 17 3.944 -3.105 -9.684 1.00 0.00 C ATOM 0 H LEU A 17 2.245 -2.042 -6.190 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.113 -2.084 -7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.948 -3.734 -9.362 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.663 -2.140 -9.501 1.00 0.00 H new ATOM 0 HG LEU A 17 3.301 -3.278 -7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.919 -5.534 -8.449 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.261 -5.485 -7.804 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.532 -5.504 -9.563 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.925 -3.547 -9.508 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.589 -3.392 -10.674 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.020 -2.019 -9.627 1.00 0.00 H new ATOM 251 N HIS A 18 -0.668 -4.402 -7.066 1.00 0.00 N ATOM 252 CA HIS A 18 -1.325 -5.381 -6.259 1.00 0.00 C ATOM 253 C HIS A 18 -1.913 -4.840 -5.001 1.00 0.00 C ATOM 254 O HIS A 18 -1.627 -5.331 -3.910 1.00 0.00 O ATOM 255 CB HIS A 18 -0.458 -6.627 -6.011 1.00 0.00 C ATOM 256 CG HIS A 18 -1.178 -7.844 -5.509 1.00 0.00 C ATOM 257 ND1 HIS A 18 -0.928 -9.085 -6.034 1.00 0.00 N ATOM 258 CD2 HIS A 18 -2.084 -8.023 -4.511 1.00 0.00 C ATOM 259 CE1 HIS A 18 -1.648 -9.984 -5.388 1.00 0.00 C ATOM 260 NE2 HIS A 18 -2.357 -9.365 -4.462 1.00 0.00 N ATOM 0 H HIS A 18 -1.092 -4.303 -7.988 1.00 0.00 H new ATOM 0 HA HIS A 18 -2.178 -5.704 -6.856 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.045 -6.886 -6.943 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.318 -6.367 -5.292 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.507 -7.256 -3.879 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.656 -11.046 -5.584 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.004 -9.814 -3.814 1.00 0.00 H new ATOM 269 N ASP A 19 -2.779 -3.818 -5.125 1.00 0.00 N ATOM 270 CA ASP A 19 -3.647 -3.293 -4.117 1.00 0.00 C ATOM 271 C ASP A 19 -2.979 -2.750 -2.900 1.00 0.00 C ATOM 272 O ASP A 19 -3.389 -2.995 -1.766 1.00 0.00 O ATOM 273 CB ASP A 19 -4.745 -4.329 -3.826 1.00 0.00 C ATOM 274 CG ASP A 19 -6.001 -3.738 -3.202 1.00 0.00 C ATOM 275 OD1 ASP A 19 -6.528 -2.725 -3.734 1.00 0.00 O ATOM 276 OD2 ASP A 19 -6.512 -4.338 -2.219 1.00 0.00 O ATOM 0 H ASP A 19 -2.879 -3.317 -6.008 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.103 -2.388 -4.519 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.014 -4.829 -4.756 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.344 -5.091 -3.158 1.00 0.00 H new ATOM 281 N GLY A 20 -1.916 -1.946 -3.077 1.00 0.00 N ATOM 282 CA GLY A 20 -1.157 -1.403 -1.994 1.00 0.00 C ATOM 283 C GLY A 20 -1.746 -0.153 -1.435 1.00 0.00 C ATOM 284 O GLY A 20 -2.237 0.694 -2.179 1.00 0.00 O ATOM 0 H GLY A 20 -1.575 -1.666 -3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.082 -2.148 -1.202 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.143 -1.198 -2.336 1.00 0.00 H new ATOM 288 N VAL A 21 -1.705 0.033 -0.104 1.00 0.00 N ATOM 289 CA VAL A 21 -2.323 1.150 0.539 1.00 0.00 C ATOM 290 C VAL A 21 -1.449 2.354 0.457 1.00 0.00 C ATOM 291 O VAL A 21 -0.504 2.514 1.228 1.00 0.00 O ATOM 292 CB VAL A 21 -2.690 0.889 1.970 1.00 0.00 C ATOM 293 CG1 VAL A 21 -3.465 2.078 2.561 1.00 0.00 C ATOM 294 CG2 VAL A 21 -3.571 -0.370 2.047 1.00 0.00 C ATOM 0 H VAL A 21 -1.234 -0.605 0.538 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.253 1.327 -0.001 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.773 0.747 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.720 1.866 3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.846 2.974 2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.378 2.238 1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.840 -0.563 3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.477 -0.217 1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.021 -1.223 1.650 1.00 0.00 H new ATOM 304 N CYS A 22 -1.712 3.248 -0.513 1.00 0.00 N ATOM 305 CA CYS A 22 -0.923 4.422 -0.720 1.00 0.00 C ATOM 306 C CYS A 22 -1.401 5.605 0.051 1.00 0.00 C ATOM 307 O CYS A 22 -2.588 5.926 0.102 1.00 0.00 O ATOM 308 CB CYS A 22 -0.666 4.735 -2.203 1.00 0.00 C ATOM 309 SG CYS A 22 -2.078 4.760 -3.345 1.00 0.00 S ATOM 0 H CYS A 22 -2.489 3.153 -1.167 1.00 0.00 H new ATOM 0 HA CYS A 22 0.053 4.179 -0.301 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.180 5.709 -2.256 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.049 4.002 -2.577 1.00 0.00 H new ATOM 314 N MET A 23 -0.457 6.291 0.719 1.00 0.00 N ATOM 315 CA MET A 23 -0.714 7.462 1.499 1.00 0.00 C ATOM 316 C MET A 23 0.173 8.575 1.055 1.00 0.00 C ATOM 317 O MET A 23 1.374 8.585 1.316 1.00 0.00 O ATOM 318 CB MET A 23 -0.494 7.203 2.999 1.00 0.00 C ATOM 319 CG MET A 23 -1.427 6.126 3.558 1.00 0.00 C ATOM 320 SD MET A 23 -1.245 5.826 5.343 1.00 0.00 S ATOM 321 CE MET A 23 0.375 5.010 5.252 1.00 0.00 C ATOM 0 H MET A 23 0.526 6.019 0.716 1.00 0.00 H new ATOM 0 HA MET A 23 -1.758 7.736 1.349 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.541 6.902 3.163 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.647 8.131 3.550 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.458 6.414 3.354 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.245 5.193 3.025 1.00 0.00 H new ATOM 0 HE1 MET A 23 0.562 4.468 6.179 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.384 4.312 4.415 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.153 5.760 5.107 1.00 0.00 H new ATOM 331 N TYR A 24 -0.416 9.558 0.349 1.00 0.00 N ATOM 332 CA TYR A 24 0.186 10.784 -0.075 1.00 0.00 C ATOM 333 C TYR A 24 0.158 11.798 1.015 1.00 0.00 C ATOM 334 O TYR A 24 -0.881 12.068 1.616 1.00 0.00 O ATOM 335 CB TYR A 24 -0.566 11.287 -1.319 1.00 0.00 C ATOM 336 CG TYR A 24 -0.178 12.633 -1.828 1.00 0.00 C ATOM 337 CD1 TYR A 24 1.084 12.889 -2.310 1.00 0.00 C ATOM 338 CD2 TYR A 24 -1.135 13.617 -1.886 1.00 0.00 C ATOM 339 CE1 TYR A 24 1.373 14.114 -2.865 1.00 0.00 C ATOM 340 CE2 TYR A 24 -0.848 14.840 -2.446 1.00 0.00 C ATOM 341 CZ TYR A 24 0.409 15.092 -2.943 1.00 0.00 C ATOM 342 OH TYR A 24 0.686 16.336 -3.549 1.00 0.00 O ATOM 0 H TYR A 24 -1.389 9.488 0.053 1.00 0.00 H new ATOM 0 HA TYR A 24 1.234 10.614 -0.323 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.422 10.564 -2.121 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.632 11.302 -1.091 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.848 12.128 -2.253 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.121 13.429 -1.488 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.366 14.310 -3.243 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.611 15.603 -2.495 1.00 0.00 H new ATOM 0 HH TYR A 24 1.655 16.443 -3.648 1.00 0.00 H new ATOM 352 N ILE A 25 1.316 12.421 1.303 1.00 0.00 N ATOM 353 CA ILE A 25 1.460 13.499 2.232 1.00 0.00 C ATOM 354 C ILE A 25 1.844 14.713 1.459 1.00 0.00 C ATOM 355 O ILE A 25 2.978 14.872 1.009 1.00 0.00 O ATOM 356 CB ILE A 25 2.399 13.115 3.336 1.00 0.00 C ATOM 357 CG1 ILE A 25 2.733 14.337 4.207 1.00 0.00 C ATOM 358 CG2 ILE A 25 3.664 12.403 2.827 1.00 0.00 C ATOM 359 CD1 ILE A 25 3.141 13.979 5.636 1.00 0.00 C ATOM 0 H ILE A 25 2.198 12.158 0.864 1.00 0.00 H new ATOM 0 HA ILE A 25 0.527 13.731 2.746 1.00 0.00 H new ATOM 0 HB ILE A 25 1.885 12.383 3.959 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.541 14.897 3.737 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.866 14.996 4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.304 12.150 3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.381 11.491 2.300 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.204 13.062 2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.362 14.891 6.191 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.326 13.446 6.124 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.027 13.345 5.613 1.00 0.00 H new ATOM 371 N GLU A 26 0.900 15.648 1.254 1.00 0.00 N ATOM 372 CA GLU A 26 1.029 16.809 0.429 1.00 0.00 C ATOM 373 C GLU A 26 2.110 17.746 0.844 1.00 0.00 C ATOM 374 O GLU A 26 2.767 18.373 0.015 1.00 0.00 O ATOM 375 CB GLU A 26 -0.311 17.558 0.341 1.00 0.00 C ATOM 376 CG GLU A 26 -0.329 18.725 -0.648 1.00 0.00 C ATOM 377 CD GLU A 26 -1.690 19.398 -0.750 1.00 0.00 C ATOM 378 OE1 GLU A 26 -2.221 19.848 0.300 1.00 0.00 O ATOM 379 OE2 GLU A 26 -2.250 19.502 -1.874 1.00 0.00 O ATOM 0 H GLU A 26 -0.017 15.588 1.696 1.00 0.00 H new ATOM 0 HA GLU A 26 1.319 16.435 -0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.090 16.849 0.059 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.566 17.935 1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.413 19.463 -0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.034 18.364 -1.633 1.00 0.00 H new ATOM 386 N ALA A 27 2.384 17.830 2.159 1.00 0.00 N ATOM 387 CA ALA A 27 3.445 18.583 2.752 1.00 0.00 C ATOM 388 C ALA A 27 4.806 18.304 2.213 1.00 0.00 C ATOM 389 O ALA A 27 5.603 19.211 1.978 1.00 0.00 O ATOM 390 CB ALA A 27 3.477 18.279 4.259 1.00 0.00 C ATOM 0 H ALA A 27 1.824 17.337 2.855 1.00 0.00 H new ATOM 0 HA ALA A 27 3.225 19.625 2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.282 18.846 4.728 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.525 18.562 4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.647 17.213 4.412 1.00 0.00 H new ATOM 396 N LEU A 28 5.118 17.010 2.020 1.00 0.00 N ATOM 397 CA LEU A 28 6.367 16.540 1.508 1.00 0.00 C ATOM 398 C LEU A 28 6.284 16.253 0.048 1.00 0.00 C ATOM 399 O LEU A 28 7.306 16.213 -0.636 1.00 0.00 O ATOM 400 CB LEU A 28 6.775 15.272 2.277 1.00 0.00 C ATOM 401 CG LEU A 28 7.283 15.617 3.687 1.00 0.00 C ATOM 402 CD1 LEU A 28 6.752 14.631 4.741 1.00 0.00 C ATOM 403 CD2 LEU A 28 8.818 15.689 3.716 1.00 0.00 C ATOM 0 H LEU A 28 4.466 16.255 2.232 1.00 0.00 H new ATOM 0 HA LEU A 28 7.118 17.318 1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.922 14.597 2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.553 14.744 1.726 1.00 0.00 H new ATOM 0 HG LEU A 28 6.894 16.603 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.133 14.909 5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.663 14.662 4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.083 13.622 4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.152 15.934 4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.233 14.725 3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.159 16.458 3.023 1.00 0.00 H new ATOM 415 N ASP A 29 5.057 16.023 -0.453 1.00 0.00 N ATOM 416 CA ASP A 29 4.681 15.812 -1.817 1.00 0.00 C ATOM 417 C ASP A 29 5.040 14.459 -2.326 1.00 0.00 C ATOM 418 O ASP A 29 4.911 14.142 -3.507 1.00 0.00 O ATOM 419 CB ASP A 29 5.120 17.007 -2.679 1.00 0.00 C ATOM 420 CG ASP A 29 4.473 17.044 -4.056 1.00 0.00 C ATOM 421 OD1 ASP A 29 3.234 16.851 -4.177 1.00 0.00 O ATOM 422 OD2 ASP A 29 5.221 17.302 -5.036 1.00 0.00 O ATOM 0 H ASP A 29 4.246 15.981 0.164 1.00 0.00 H new ATOM 0 HA ASP A 29 3.594 15.789 -1.887 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.881 17.930 -2.151 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.203 16.978 -2.798 1.00 0.00 H new ATOM 427 N LYS A 30 5.437 13.552 -1.415 1.00 0.00 N ATOM 428 CA LYS A 30 5.724 12.182 -1.710 1.00 0.00 C ATOM 429 C LYS A 30 4.670 11.298 -1.139 1.00 0.00 C ATOM 430 O LYS A 30 3.757 11.728 -0.436 1.00 0.00 O ATOM 431 CB LYS A 30 7.120 11.766 -1.216 1.00 0.00 C ATOM 432 CG LYS A 30 8.262 12.616 -1.778 1.00 0.00 C ATOM 433 CD LYS A 30 8.230 12.726 -3.303 1.00 0.00 C ATOM 434 CE LYS A 30 9.435 13.450 -3.909 1.00 0.00 C ATOM 435 NZ LYS A 30 9.133 13.825 -5.309 1.00 0.00 N ATOM 0 H LYS A 30 5.563 13.784 -0.430 1.00 0.00 H new ATOM 0 HA LYS A 30 5.725 12.070 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.140 11.824 -0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.292 10.723 -1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.210 13.615 -1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.214 12.184 -1.470 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.173 11.723 -3.727 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.321 13.249 -3.599 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.669 14.340 -3.325 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.314 12.806 -3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.952 14.317 -5.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.930 12.968 -5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.305 14.454 -5.329 1.00 0.00 H new ATOM 449 N TYR A 31 4.746 9.995 -1.463 1.00 0.00 N ATOM 450 CA TYR A 31 3.803 9.030 -0.989 1.00 0.00 C ATOM 451 C TYR A 31 4.508 7.773 -0.615 1.00 0.00 C ATOM 452 O TYR A 31 5.610 7.496 -1.085 1.00 0.00 O ATOM 453 CB TYR A 31 2.626 8.791 -1.952 1.00 0.00 C ATOM 454 CG TYR A 31 2.988 8.158 -3.251 1.00 0.00 C ATOM 455 CD1 TYR A 31 3.641 8.869 -4.231 1.00 0.00 C ATOM 456 CD2 TYR A 31 2.603 6.862 -3.504 1.00 0.00 C ATOM 457 CE1 TYR A 31 3.909 8.292 -5.450 1.00 0.00 C ATOM 458 CE2 TYR A 31 2.842 6.290 -4.732 1.00 0.00 C ATOM 459 CZ TYR A 31 3.501 7.004 -5.705 1.00 0.00 C ATOM 460 OH TYR A 31 3.716 6.443 -6.982 1.00 0.00 O ATOM 0 H TYR A 31 5.473 9.605 -2.063 1.00 0.00 H new ATOM 0 HA TYR A 31 3.336 9.442 -0.094 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.890 8.161 -1.452 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.143 9.747 -2.154 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.945 9.888 -4.042 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.109 6.289 -2.733 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.440 8.850 -6.207 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.512 5.281 -4.932 1.00 0.00 H new ATOM 0 HH TYR A 31 3.371 5.526 -6.999 1.00 0.00 H new ATOM 470 N ALA A 32 3.902 6.972 0.280 1.00 0.00 N ATOM 471 CA ALA A 32 4.397 5.678 0.636 1.00 0.00 C ATOM 472 C ALA A 32 3.292 4.693 0.468 1.00 0.00 C ATOM 473 O ALA A 32 2.120 5.028 0.624 1.00 0.00 O ATOM 474 CB ALA A 32 4.899 5.650 2.089 1.00 0.00 C ATOM 0 H ALA A 32 3.045 7.231 0.769 1.00 0.00 H new ATOM 0 HA ALA A 32 5.239 5.429 -0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.268 4.652 2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.705 6.374 2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.080 5.904 2.762 1.00 0.00 H new ATOM 480 N CYS A 33 3.638 3.444 0.104 1.00 0.00 N ATOM 481 CA CYS A 33 2.700 2.391 -0.129 1.00 0.00 C ATOM 482 C CYS A 33 2.885 1.304 0.872 1.00 0.00 C ATOM 483 O CYS A 33 3.832 0.522 0.804 1.00 0.00 O ATOM 484 CB CYS A 33 2.868 1.825 -1.549 1.00 0.00 C ATOM 485 SG CYS A 33 2.606 3.107 -2.808 1.00 0.00 S ATOM 0 H CYS A 33 4.607 3.158 -0.033 1.00 0.00 H new ATOM 0 HA CYS A 33 1.694 2.799 -0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.867 1.404 -1.659 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.160 1.011 -1.704 1.00 0.00 H new ATOM 490 N ASN A 34 1.975 1.212 1.857 1.00 0.00 N ATOM 491 CA ASN A 34 2.064 0.269 2.930 1.00 0.00 C ATOM 492 C ASN A 34 1.517 -1.058 2.530 1.00 0.00 C ATOM 493 O ASN A 34 0.530 -1.175 1.806 1.00 0.00 O ATOM 494 CB ASN A 34 1.362 0.751 4.211 1.00 0.00 C ATOM 495 CG ASN A 34 2.204 1.792 4.933 1.00 0.00 C ATOM 496 OD1 ASN A 34 3.060 2.470 4.368 1.00 0.00 O ATOM 497 ND2 ASN A 34 1.981 1.914 6.269 1.00 0.00 N ATOM 0 H ASN A 34 1.152 1.812 1.910 1.00 0.00 H new ATOM 0 HA ASN A 34 3.127 0.171 3.152 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.389 1.175 3.960 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.180 -0.097 4.871 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.528 2.576 6.819 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.267 1.343 6.721 1.00 0.00 H new ATOM 504 N CYS A 35 2.192 -2.124 2.997 1.00 0.00 N ATOM 505 CA CYS A 35 1.928 -3.480 2.628 1.00 0.00 C ATOM 506 C CYS A 35 1.216 -4.210 3.715 1.00 0.00 C ATOM 507 O CYS A 35 1.443 -3.986 4.903 1.00 0.00 O ATOM 508 CB CYS A 35 3.225 -4.235 2.295 1.00 0.00 C ATOM 509 SG CYS A 35 4.173 -3.378 1.004 1.00 0.00 S ATOM 0 H CYS A 35 2.959 -2.035 3.664 1.00 0.00 H new ATOM 0 HA CYS A 35 1.295 -3.443 1.742 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.834 -4.330 3.194 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.986 -5.245 1.963 1.00 0.00 H new ATOM 514 N VAL A 36 0.310 -5.129 3.334 1.00 0.00 N ATOM 515 CA VAL A 36 -0.423 -5.976 4.224 1.00 0.00 C ATOM 516 C VAL A 36 0.380 -7.149 4.667 1.00 0.00 C ATOM 517 O VAL A 36 1.413 -7.497 4.098 1.00 0.00 O ATOM 518 CB VAL A 36 -1.721 -6.428 3.623 1.00 0.00 C ATOM 519 CG1 VAL A 36 -2.750 -5.292 3.757 1.00 0.00 C ATOM 520 CG2 VAL A 36 -1.543 -6.832 2.151 1.00 0.00 C ATOM 0 H VAL A 36 0.077 -5.289 2.354 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.649 -5.373 5.104 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.076 -7.310 4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.699 -5.608 3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.894 -5.054 4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.387 -4.409 3.232 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.501 -7.155 1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.176 -5.978 1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.826 -7.650 2.082 1.00 0.00 H new ATOM 530 N VAL A 37 -0.065 -7.808 5.752 1.00 0.00 N ATOM 531 CA VAL A 37 0.622 -8.890 6.388 1.00 0.00 C ATOM 532 C VAL A 37 0.426 -10.170 5.650 1.00 0.00 C ATOM 533 O VAL A 37 -0.697 -10.618 5.427 1.00 0.00 O ATOM 534 CB VAL A 37 0.196 -9.032 7.819 1.00 0.00 C ATOM 535 CG1 VAL A 37 0.952 -10.165 8.532 1.00 0.00 C ATOM 536 CG2 VAL A 37 0.442 -7.707 8.561 1.00 0.00 C ATOM 0 H VAL A 37 -0.947 -7.575 6.208 1.00 0.00 H new ATOM 0 HA VAL A 37 1.686 -8.656 6.371 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.865 -9.280 7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.614 -10.234 9.566 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.757 -11.109 8.023 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.022 -9.957 8.514 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.133 -7.810 9.601 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.503 -7.459 8.521 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.135 -6.912 8.088 1.00 0.00 H new ATOM 546 N GLY A 38 1.532 -10.810 5.231 1.00 0.00 N ATOM 547 CA GLY A 38 1.537 -12.058 4.535 1.00 0.00 C ATOM 548 C GLY A 38 1.683 -11.919 3.059 1.00 0.00 C ATOM 549 O GLY A 38 1.368 -12.838 2.304 1.00 0.00 O ATOM 0 H GLY A 38 2.469 -10.438 5.386 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.352 -12.673 4.916 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.610 -12.588 4.751 1.00 0.00 H new ATOM 553 N TYR A 39 2.188 -10.758 2.606 1.00 0.00 N ATOM 554 CA TYR A 39 2.465 -10.462 1.235 1.00 0.00 C ATOM 555 C TYR A 39 3.873 -9.979 1.154 1.00 0.00 C ATOM 556 O TYR A 39 4.294 -9.104 1.908 1.00 0.00 O ATOM 557 CB TYR A 39 1.523 -9.391 0.661 1.00 0.00 C ATOM 558 CG TYR A 39 0.204 -10.013 0.356 1.00 0.00 C ATOM 559 CD1 TYR A 39 -0.734 -10.206 1.343 1.00 0.00 C ATOM 560 CD2 TYR A 39 -0.062 -10.466 -0.915 1.00 0.00 C ATOM 561 CE1 TYR A 39 -1.912 -10.863 1.075 1.00 0.00 C ATOM 562 CE2 TYR A 39 -1.243 -11.112 -1.196 1.00 0.00 C ATOM 563 CZ TYR A 39 -2.166 -11.319 -0.197 1.00 0.00 C ATOM 564 OH TYR A 39 -3.365 -12.003 -0.489 1.00 0.00 O ATOM 0 H TYR A 39 2.415 -9.984 3.231 1.00 0.00 H new ATOM 0 HA TYR A 39 2.312 -11.366 0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.399 -8.578 1.376 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.952 -8.958 -0.243 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.543 -9.837 2.340 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.664 -10.313 -1.700 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.635 -11.020 1.861 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.446 -11.456 -2.199 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.377 -12.252 -1.437 1.00 0.00 H new ATOM 574 N ILE A 40 4.673 -10.582 0.256 1.00 0.00 N ATOM 575 CA ILE A 40 6.082 -10.357 0.157 1.00 0.00 C ATOM 576 C ILE A 40 6.460 -10.050 -1.250 1.00 0.00 C ATOM 577 O ILE A 40 5.629 -9.715 -2.093 1.00 0.00 O ATOM 578 CB ILE A 40 6.890 -11.483 0.732 1.00 0.00 C ATOM 579 CG1 ILE A 40 6.534 -12.843 0.107 1.00 0.00 C ATOM 580 CG2 ILE A 40 6.707 -11.493 2.259 1.00 0.00 C ATOM 581 CD1 ILE A 40 7.515 -13.946 0.502 1.00 0.00 C ATOM 0 H ILE A 40 4.324 -11.253 -0.428 1.00 0.00 H new ATOM 0 HA ILE A 40 6.321 -9.487 0.768 1.00 0.00 H new ATOM 0 HB ILE A 40 7.940 -11.318 0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.528 -13.129 0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.519 -12.747 -0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.289 -12.307 2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.049 -10.544 2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.653 -11.635 2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.216 -14.884 0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.518 -13.677 0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.512 -14.065 1.585 1.00 0.00 H new ATOM 593 N GLY A 41 7.763 -10.114 -1.575 1.00 0.00 N ATOM 594 CA GLY A 41 8.289 -9.639 -2.817 1.00 0.00 C ATOM 595 C GLY A 41 8.648 -8.195 -2.731 1.00 0.00 C ATOM 596 O GLY A 41 8.173 -7.453 -1.872 1.00 0.00 O ATOM 0 H GLY A 41 8.472 -10.508 -0.956 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.170 -10.220 -3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.553 -9.787 -3.608 1.00 0.00 H new ATOM 600 N GLU A 42 9.480 -7.738 -3.683 1.00 0.00 N ATOM 601 CA GLU A 42 10.041 -6.425 -3.738 1.00 0.00 C ATOM 602 C GLU A 42 9.059 -5.307 -3.658 1.00 0.00 C ATOM 603 O GLU A 42 9.285 -4.337 -2.937 1.00 0.00 O ATOM 604 CB GLU A 42 10.945 -6.308 -4.977 1.00 0.00 C ATOM 605 CG GLU A 42 10.334 -6.838 -6.276 1.00 0.00 C ATOM 606 CD GLU A 42 10.714 -8.262 -6.654 1.00 0.00 C ATOM 607 OE1 GLU A 42 10.586 -9.205 -5.827 1.00 0.00 O ATOM 608 OE2 GLU A 42 11.093 -8.467 -7.838 1.00 0.00 O ATOM 0 H GLU A 42 9.779 -8.323 -4.463 1.00 0.00 H new ATOM 0 HA GLU A 42 10.632 -6.307 -2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.208 -5.260 -5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.873 -6.846 -4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.249 -6.781 -6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.628 -6.175 -7.090 1.00 0.00 H new ATOM 615 N ARG A 43 7.913 -5.382 -4.358 1.00 0.00 N ATOM 616 CA ARG A 43 6.868 -4.412 -4.245 1.00 0.00 C ATOM 617 C ARG A 43 5.597 -4.963 -3.697 1.00 0.00 C ATOM 618 O ARG A 43 4.517 -4.487 -4.041 1.00 0.00 O ATOM 619 CB ARG A 43 6.657 -3.673 -5.578 1.00 0.00 C ATOM 620 CG ARG A 43 6.216 -4.538 -6.760 1.00 0.00 C ATOM 621 CD ARG A 43 7.299 -4.863 -7.792 1.00 0.00 C ATOM 622 NE ARG A 43 7.639 -3.607 -8.516 1.00 0.00 N ATOM 623 CZ ARG A 43 8.384 -3.565 -9.659 1.00 0.00 C ATOM 624 NH1 ARG A 43 8.970 -4.672 -10.200 1.00 0.00 N ATOM 625 NH2 ARG A 43 8.530 -2.355 -10.275 1.00 0.00 N ATOM 0 H ARG A 43 7.708 -6.133 -5.017 1.00 0.00 H new ATOM 0 HA ARG A 43 7.201 -3.684 -3.505 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.910 -2.894 -5.425 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.588 -3.174 -5.846 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.819 -5.476 -6.371 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.396 -4.032 -7.270 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.183 -5.271 -7.301 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.944 -5.621 -8.490 1.00 0.00 H new ATOM 0 HE ARG A 43 7.295 -2.726 -8.135 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.860 -5.580 -9.748 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.518 -4.592 -11.056 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.090 -1.525 -9.879 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.079 -2.282 -11.131 1.00 0.00 H new ATOM 639 N CYS A 44 5.659 -5.970 -2.806 1.00 0.00 N ATOM 640 CA CYS A 44 4.550 -6.514 -2.084 1.00 0.00 C ATOM 641 C CYS A 44 3.479 -7.152 -2.901 1.00 0.00 C ATOM 642 O CYS A 44 2.280 -7.007 -2.665 1.00 0.00 O ATOM 643 CB CYS A 44 3.947 -5.514 -1.084 1.00 0.00 C ATOM 644 SG CYS A 44 5.184 -4.878 0.085 1.00 0.00 S ATOM 0 H CYS A 44 6.539 -6.432 -2.576 1.00 0.00 H new ATOM 0 HA CYS A 44 5.008 -7.337 -1.535 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.503 -4.681 -1.629 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.142 -5.997 -0.531 1.00 0.00 H new ATOM 649 N GLN A 45 3.896 -7.928 -3.918 1.00 0.00 N ATOM 650 CA GLN A 45 3.046 -8.513 -4.908 1.00 0.00 C ATOM 651 C GLN A 45 2.858 -9.984 -4.761 1.00 0.00 C ATOM 652 O GLN A 45 1.891 -10.528 -5.291 1.00 0.00 O ATOM 653 CB GLN A 45 3.610 -8.221 -6.309 1.00 0.00 C ATOM 654 CG GLN A 45 5.118 -8.457 -6.421 1.00 0.00 C ATOM 655 CD GLN A 45 5.719 -8.221 -7.798 1.00 0.00 C ATOM 656 OE1 GLN A 45 6.925 -7.993 -7.881 1.00 0.00 O ATOM 657 NE2 GLN A 45 4.913 -8.246 -8.893 1.00 0.00 N ATOM 0 H GLN A 45 4.880 -8.159 -4.056 1.00 0.00 H new ATOM 0 HA GLN A 45 2.066 -8.057 -4.767 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.097 -8.849 -7.037 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.392 -7.186 -6.571 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.624 -7.807 -5.707 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.330 -9.484 -6.123 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.917 -8.438 -8.789 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.305 -8.072 -9.819 1.00 0.00 H new ATOM 666 N TYR A 46 3.757 -10.708 -4.071 1.00 0.00 N ATOM 667 CA TYR A 46 3.676 -12.132 -3.966 1.00 0.00 C ATOM 668 C TYR A 46 2.907 -12.485 -2.739 1.00 0.00 C ATOM 669 O TYR A 46 3.034 -11.831 -1.706 1.00 0.00 O ATOM 670 CB TYR A 46 5.043 -12.833 -3.886 1.00 0.00 C ATOM 671 CG TYR A 46 6.038 -12.417 -4.914 1.00 0.00 C ATOM 672 CD1 TYR A 46 5.708 -12.068 -6.202 1.00 0.00 C ATOM 673 CD2 TYR A 46 7.360 -12.372 -4.536 1.00 0.00 C ATOM 674 CE1 TYR A 46 6.665 -11.589 -7.065 1.00 0.00 C ATOM 675 CE2 TYR A 46 8.321 -11.875 -5.383 1.00 0.00 C ATOM 676 CZ TYR A 46 7.965 -11.447 -6.640 1.00 0.00 C ATOM 677 OH TYR A 46 8.924 -10.813 -7.459 1.00 0.00 O ATOM 0 H TYR A 46 4.552 -10.300 -3.579 1.00 0.00 H new ATOM 0 HA TYR A 46 3.188 -12.477 -4.878 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.468 -12.650 -2.899 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.886 -13.908 -3.972 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.687 -12.171 -6.539 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.647 -12.733 -3.559 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.396 -11.324 -8.077 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.351 -11.821 -5.063 1.00 0.00 H new ATOM 0 HH TYR A 46 9.677 -10.513 -6.909 1.00 0.00 H new ATOM 687 N ARG A 47 2.087 -13.551 -2.776 1.00 0.00 N ATOM 688 CA ARG A 47 1.316 -13.956 -1.641 1.00 0.00 C ATOM 689 C ARG A 47 2.025 -15.073 -0.956 1.00 0.00 C ATOM 690 O ARG A 47 2.523 -15.997 -1.597 1.00 0.00 O ATOM 691 CB ARG A 47 -0.080 -14.428 -2.082 1.00 0.00 C ATOM 692 CG ARG A 47 -0.983 -14.938 -0.956 1.00 0.00 C ATOM 693 CD ARG A 47 -2.339 -15.461 -1.435 1.00 0.00 C ATOM 694 NE ARG A 47 -2.980 -16.102 -0.252 1.00 0.00 N ATOM 695 CZ ARG A 47 -3.965 -17.042 -0.332 1.00 0.00 C ATOM 696 NH1 ARG A 47 -4.544 -17.418 -1.511 1.00 0.00 N ATOM 697 NH2 ARG A 47 -4.385 -17.651 0.815 1.00 0.00 N ATOM 0 H ARG A 47 1.957 -14.137 -3.600 1.00 0.00 H new ATOM 0 HA ARG A 47 1.199 -13.111 -0.963 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.584 -13.601 -2.583 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.039 -15.223 -2.819 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.466 -15.735 -0.422 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.148 -14.131 -0.242 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.956 -14.649 -1.819 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.215 -16.178 -2.246 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.662 -15.820 0.675 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.243 -16.990 -2.386 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.278 -18.127 -1.516 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.963 -17.400 1.709 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.120 -18.357 0.778 1.00 0.00 H new ATOM 711 N ASP A 48 2.090 -15.042 0.388 1.00 0.00 N ATOM 712 CA ASP A 48 2.467 -16.189 1.154 1.00 0.00 C ATOM 713 C ASP A 48 1.267 -17.031 1.422 1.00 0.00 C ATOM 714 O ASP A 48 0.243 -16.585 1.937 1.00 0.00 O ATOM 715 CB ASP A 48 3.181 -15.811 2.463 1.00 0.00 C ATOM 716 CG ASP A 48 4.691 -15.727 2.289 1.00 0.00 C ATOM 717 OD1 ASP A 48 5.237 -16.350 1.339 1.00 0.00 O ATOM 718 OD2 ASP A 48 5.348 -15.146 3.192 1.00 0.00 O ATOM 0 H ASP A 48 1.880 -14.215 0.947 1.00 0.00 H new ATOM 0 HA ASP A 48 3.184 -16.762 0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.804 -14.852 2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.946 -16.549 3.230 1.00 0.00 H new ATOM 723 N LEU A 49 1.359 -18.308 1.009 1.00 0.00 N ATOM 724 CA LEU A 49 0.308 -19.276 1.075 1.00 0.00 C ATOM 725 C LEU A 49 0.327 -20.062 2.340 1.00 0.00 C ATOM 726 O LEU A 49 -0.710 -20.443 2.879 1.00 0.00 O ATOM 727 CB LEU A 49 0.441 -20.216 -0.136 1.00 0.00 C ATOM 728 CG LEU A 49 -0.710 -21.214 -0.344 1.00 0.00 C ATOM 729 CD1 LEU A 49 -2.063 -20.512 -0.547 1.00 0.00 C ATOM 730 CD2 LEU A 49 -0.407 -22.128 -1.543 1.00 0.00 C ATOM 0 H LEU A 49 2.216 -18.686 0.606 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.645 -18.748 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.534 -19.607 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.369 -20.778 -0.034 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.787 -21.812 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.843 -21.260 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.295 -19.908 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.011 -19.870 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.228 -22.831 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.292 -21.523 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.515 -22.679 -1.357 1.00 0.00 H new ATOM 742 N LYS A 50 1.525 -20.357 2.877 1.00 0.00 N ATOM 743 CA LYS A 50 1.732 -21.402 3.831 1.00 0.00 C ATOM 744 C LYS A 50 1.131 -21.227 5.183 1.00 0.00 C ATOM 745 O LYS A 50 0.798 -22.213 5.839 1.00 0.00 O ATOM 746 CB LYS A 50 3.233 -21.695 3.993 1.00 0.00 C ATOM 747 CG LYS A 50 3.941 -22.097 2.697 1.00 0.00 C ATOM 748 CD LYS A 50 3.441 -23.422 2.118 1.00 0.00 C ATOM 749 CE LYS A 50 4.575 -24.407 1.824 1.00 0.00 C ATOM 750 NZ LYS A 50 5.123 -24.965 3.080 1.00 0.00 N ATOM 0 H LYS A 50 2.378 -19.851 2.639 1.00 0.00 H new ATOM 0 HA LYS A 50 1.188 -22.238 3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.722 -20.810 4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.358 -22.494 4.724 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.802 -21.310 1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.012 -22.172 2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.742 -23.879 2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.889 -23.226 1.199 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.207 -25.215 1.192 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.366 -23.903 1.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.891 -25.631 2.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.494 -24.193 3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.370 -25.464 3.596 1.00 0.00 H new ATOM 764 N TRP A 51 0.939 -19.985 5.663 1.00 0.00 N ATOM 765 CA TRP A 51 0.512 -19.721 7.002 1.00 0.00 C ATOM 766 C TRP A 51 -0.949 -19.911 7.229 1.00 0.00 C ATOM 767 O TRP A 51 -1.381 -20.206 8.343 1.00 0.00 O ATOM 768 CB TRP A 51 0.916 -18.301 7.436 1.00 0.00 C ATOM 769 CG TRP A 51 0.511 -17.157 6.539 1.00 0.00 C ATOM 770 CD1 TRP A 51 1.212 -16.614 5.500 1.00 0.00 C ATOM 771 CD2 TRP A 51 -0.684 -16.366 6.673 1.00 0.00 C ATOM 772 NE1 TRP A 51 0.517 -15.568 4.954 1.00 0.00 N ATOM 773 CE2 TRP A 51 -0.635 -15.380 5.680 1.00 0.00 C ATOM 774 CE3 TRP A 51 -1.738 -16.433 7.543 1.00 0.00 C ATOM 775 CZ2 TRP A 51 -1.639 -14.459 5.560 1.00 0.00 C ATOM 776 CZ3 TRP A 51 -2.750 -15.514 7.398 1.00 0.00 C ATOM 777 CH2 TRP A 51 -2.704 -14.542 6.426 1.00 0.00 C ATOM 0 H TRP A 51 1.084 -19.143 5.106 1.00 0.00 H new ATOM 0 HA TRP A 51 1.022 -20.465 7.614 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.495 -18.119 8.425 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.001 -18.277 7.542 1.00 0.00 H new ATOM 0 HD1 TRP A 51 2.176 -16.960 5.158 1.00 0.00 H new ATOM 0 HE1 TRP A 51 0.806 -15.020 4.144 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -1.774 -17.184 8.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.597 -13.687 4.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -3.600 -15.556 8.062 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -3.515 -13.834 6.342 1.00 0.00 H new ATOM 788 N TRP A 52 -1.769 -19.760 6.175 1.00 0.00 N ATOM 789 CA TRP A 52 -3.195 -19.872 6.207 1.00 0.00 C ATOM 790 C TRP A 52 -3.644 -21.245 6.575 1.00 0.00 C ATOM 791 O TRP A 52 -4.309 -21.454 7.588 1.00 0.00 O ATOM 792 CB TRP A 52 -3.837 -19.485 4.865 1.00 0.00 C ATOM 793 CG TRP A 52 -3.527 -18.125 4.288 1.00 0.00 C ATOM 794 CD1 TRP A 52 -2.374 -17.702 3.692 1.00 0.00 C ATOM 795 CD2 TRP A 52 -4.470 -17.048 4.132 1.00 0.00 C ATOM 796 NE1 TRP A 52 -2.541 -16.456 3.148 1.00 0.00 N ATOM 797 CE2 TRP A 52 -3.817 -16.027 3.432 1.00 0.00 C ATOM 798 CE3 TRP A 52 -5.774 -16.908 4.523 1.00 0.00 C ATOM 799 CZ2 TRP A 52 -4.464 -14.862 3.127 1.00 0.00 C ATOM 800 CZ3 TRP A 52 -6.418 -15.736 4.200 1.00 0.00 C ATOM 801 CH2 TRP A 52 -5.778 -14.732 3.512 1.00 0.00 C ATOM 0 H TRP A 52 -1.415 -19.546 5.243 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.524 -19.172 6.975 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -3.544 -20.233 4.128 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.918 -19.558 4.981 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.457 -18.271 3.655 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -1.839 -15.935 2.622 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -6.281 -17.691 5.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -3.958 -14.067 2.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -7.449 -15.602 4.493 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -6.316 -13.827 3.270 1.00 0.00 H new ATOM 812 N GLU A 53 -3.275 -22.246 5.756 1.00 0.00 N ATOM 813 CA GLU A 53 -3.676 -23.613 5.877 1.00 0.00 C ATOM 814 C GLU A 53 -2.536 -24.442 6.357 1.00 0.00 C ATOM 815 O GLU A 53 -1.914 -25.196 5.609 1.00 0.00 O ATOM 816 CB GLU A 53 -4.207 -24.119 4.526 1.00 0.00 C ATOM 817 CG GLU A 53 -5.094 -25.363 4.606 1.00 0.00 C ATOM 818 CD GLU A 53 -6.513 -25.015 5.032 1.00 0.00 C ATOM 819 OE1 GLU A 53 -7.290 -24.485 4.193 1.00 0.00 O ATOM 820 OE2 GLU A 53 -6.889 -25.298 6.200 1.00 0.00 O ATOM 0 H GLU A 53 -2.658 -22.090 4.959 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.478 -23.693 6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.773 -23.317 4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.358 -24.337 3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.116 -25.857 3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.665 -26.071 5.314 1.00 0.00 H new ATOM 827 N LEU A 54 -2.192 -24.311 7.651 1.00 0.00 N ATOM 828 CA LEU A 54 -1.213 -25.123 8.303 1.00 0.00 C ATOM 829 C LEU A 54 -1.620 -25.352 9.753 1.00 0.00 C ATOM 830 O LEU A 54 -1.921 -26.519 10.121 1.00 0.00 O ATOM 831 CB LEU A 54 0.188 -24.491 8.256 1.00 0.00 C ATOM 832 CG LEU A 54 1.334 -25.336 8.838 1.00 0.00 C ATOM 833 CD1 LEU A 54 1.505 -26.683 8.114 1.00 0.00 C ATOM 834 CD2 LEU A 54 2.648 -24.541 8.772 1.00 0.00 C ATOM 835 OXT LEU A 54 -1.647 -24.380 10.554 1.00 0.00 O ATOM 0 H LEU A 54 -2.612 -23.613 8.266 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.166 -26.073 7.770 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.425 -24.261 7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.154 -23.543 8.793 1.00 0.00 H new ATOM 0 HG LEU A 54 1.077 -25.558 9.874 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.327 -27.237 8.566 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.586 -27.262 8.201 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.723 -26.505 7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.458 -25.142 9.185 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.872 -24.294 7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.547 -23.622 9.350 1.00 0.00 H new