USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 427 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 15 CYS SG : rot -139:sc= -2.06 USER MOD Set 1.2: A 18 HIS : no HE2:sc= -6.89! C(o=-16!,f=-20!) USER MOD Set 1.3: A 34 CYS SG : rot 169:sc= -1.95 USER MOD Set 1.4: A 37 CYS SG : rot -36:sc= -4.9! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 62:sc= 0.314 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 17 ASN : amide:sc= -0.186 K(o=-0.19,f=-0.87) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -116:sc= -0.131 (180deg=-3.74!) USER MOD Single : A 50 SER OG : rot -62:sc= 0.488 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.407 K(o=-0.41,f=-2.2!) USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0245) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -20.035 16.678 -2.339 1.00 0.00 N ATOM 2 CA ALA A 2 -19.002 17.507 -3.013 1.00 0.00 C ATOM 3 C ALA A 2 -18.063 16.640 -3.844 1.00 0.00 C ATOM 4 O ALA A 2 -17.752 15.509 -3.472 1.00 0.00 O ATOM 5 CB ALA A 2 -18.212 18.304 -1.985 1.00 0.00 C ATOM 0 HA ALA A 2 -19.508 18.200 -3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -17.459 18.907 -2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -18.888 18.957 -1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -17.723 17.620 -1.292 1.00 0.00 H new ATOM 10 N SER A 3 -17.615 17.178 -4.975 1.00 0.00 N ATOM 11 CA SER A 3 -16.711 16.455 -5.860 1.00 0.00 C ATOM 12 C SER A 3 -15.280 16.505 -5.337 1.00 0.00 C ATOM 13 O SER A 3 -14.498 17.375 -5.722 1.00 0.00 O ATOM 14 CB SER A 3 -16.770 17.038 -7.273 1.00 0.00 C ATOM 15 OG SER A 3 -18.102 17.358 -7.637 1.00 0.00 O ATOM 0 H SER A 3 -17.864 18.113 -5.299 1.00 0.00 H new ATOM 0 HA SER A 3 -17.031 15.414 -5.891 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.150 17.933 -7.327 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.358 16.321 -7.983 1.00 0.00 H new ATOM 0 HG SER A 3 -18.113 17.730 -8.543 1.00 0.00 H new ATOM 21 N THR A 4 -14.943 15.568 -4.457 1.00 0.00 N ATOM 22 CA THR A 4 -13.604 15.505 -3.882 1.00 0.00 C ATOM 23 C THR A 4 -13.158 14.057 -3.690 1.00 0.00 C ATOM 24 O THR A 4 -12.334 13.761 -2.824 1.00 0.00 O ATOM 25 CB THR A 4 -13.564 16.248 -2.542 1.00 0.00 C ATOM 26 OG1 THR A 4 -14.772 16.955 -2.321 1.00 0.00 O ATOM 27 CG2 THR A 4 -12.426 17.241 -2.442 1.00 0.00 C ATOM 0 H THR A 4 -15.578 14.842 -4.126 1.00 0.00 H new ATOM 0 HA THR A 4 -12.916 15.987 -4.577 1.00 0.00 H new ATOM 0 HB THR A 4 -13.418 15.474 -1.789 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.726 17.420 -1.460 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.456 17.732 -1.469 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.476 16.719 -2.556 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.525 17.989 -3.229 1.00 0.00 H new ATOM 35 N SER A 5 -13.706 13.160 -4.503 1.00 0.00 N ATOM 36 CA SER A 5 -13.365 11.743 -4.424 1.00 0.00 C ATOM 37 C SER A 5 -14.148 10.937 -5.455 1.00 0.00 C ATOM 38 O SER A 5 -15.378 10.959 -5.470 1.00 0.00 O ATOM 39 CB SER A 5 -13.645 11.207 -3.017 1.00 0.00 C ATOM 40 OG SER A 5 -12.439 10.960 -2.315 1.00 0.00 O ATOM 0 H SER A 5 -14.389 13.389 -5.225 1.00 0.00 H new ATOM 0 HA SER A 5 -12.302 11.637 -4.640 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.250 11.926 -2.465 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.225 10.287 -3.084 1.00 0.00 H new ATOM 0 HG SER A 5 -11.940 11.798 -2.217 1.00 0.00 H new ATOM 46 N ARG A 6 -13.426 10.228 -6.317 1.00 0.00 N ATOM 47 CA ARG A 6 -14.054 9.415 -7.352 1.00 0.00 C ATOM 48 C ARG A 6 -13.612 7.958 -7.243 1.00 0.00 C ATOM 49 O ARG A 6 -14.433 7.044 -7.305 1.00 0.00 O ATOM 50 CB ARG A 6 -13.712 9.964 -8.739 1.00 0.00 C ATOM 51 CG ARG A 6 -14.907 10.033 -9.678 1.00 0.00 C ATOM 52 CD ARG A 6 -14.877 11.292 -10.527 1.00 0.00 C ATOM 53 NE ARG A 6 -15.946 11.306 -11.524 1.00 0.00 N ATOM 54 CZ ARG A 6 -16.366 12.405 -12.146 1.00 0.00 C ATOM 55 NH1 ARG A 6 -15.813 13.581 -11.876 1.00 0.00 N ATOM 56 NH2 ARG A 6 -17.343 12.328 -13.038 1.00 0.00 N ATOM 0 H ARG A 6 -12.406 10.200 -6.319 1.00 0.00 H new ATOM 0 HA ARG A 6 -15.134 9.459 -7.209 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -13.287 10.962 -8.631 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -12.942 9.337 -9.189 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -14.913 9.156 -10.326 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -15.829 10.007 -9.097 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -14.971 12.166 -9.883 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -13.912 11.368 -11.029 1.00 0.00 H new ATOM 0 HE ARG A 6 -16.397 10.421 -11.757 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -15.062 13.646 -11.189 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -16.139 14.420 -12.356 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -17.773 11.427 -13.247 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.665 13.170 -13.515 1.00 0.00 H new ATOM 70 N LEU A 7 -12.310 7.752 -7.079 1.00 0.00 N ATOM 71 CA LEU A 7 -11.758 6.407 -6.960 1.00 0.00 C ATOM 72 C LEU A 7 -11.608 6.009 -5.495 1.00 0.00 C ATOM 73 O LEU A 7 -11.473 6.865 -4.620 1.00 0.00 O ATOM 74 CB LEU A 7 -10.403 6.324 -7.665 1.00 0.00 C ATOM 75 CG LEU A 7 -10.465 6.338 -9.192 1.00 0.00 C ATOM 76 CD1 LEU A 7 -10.351 7.761 -9.719 1.00 0.00 C ATOM 77 CD2 LEU A 7 -9.368 5.462 -9.779 1.00 0.00 C ATOM 0 H LEU A 7 -11.617 8.499 -7.025 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.450 5.713 -7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.787 7.160 -7.334 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.900 5.411 -7.346 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.429 5.934 -9.500 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.397 7.750 -10.808 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.172 8.361 -9.327 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.402 8.192 -9.400 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.428 5.484 -10.867 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.395 5.836 -9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.495 4.437 -9.430 1.00 0.00 H new ATOM 89 N ASP A 8 -11.634 4.707 -5.234 1.00 0.00 N ATOM 90 CA ASP A 8 -11.501 4.197 -3.874 1.00 0.00 C ATOM 91 C ASP A 8 -11.248 2.693 -3.878 1.00 0.00 C ATOM 92 O ASP A 8 -11.884 1.943 -3.138 1.00 0.00 O ATOM 93 CB ASP A 8 -12.759 4.515 -3.064 1.00 0.00 C ATOM 94 CG ASP A 8 -14.026 4.059 -3.761 1.00 0.00 C ATOM 95 OD1 ASP A 8 -14.121 2.860 -4.097 1.00 0.00 O ATOM 96 OD2 ASP A 8 -14.923 4.902 -3.972 1.00 0.00 O ATOM 0 H ASP A 8 -11.746 3.985 -5.946 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.645 4.687 -3.410 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.691 4.034 -2.088 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.812 5.589 -2.887 1.00 0.00 H new ATOM 101 N ALA A 9 -10.314 2.257 -4.718 1.00 0.00 N ATOM 102 CA ALA A 9 -9.977 0.842 -4.818 1.00 0.00 C ATOM 103 C ALA A 9 -8.771 0.628 -5.726 1.00 0.00 C ATOM 104 O ALA A 9 -8.918 0.332 -6.912 1.00 0.00 O ATOM 105 CB ALA A 9 -11.172 0.051 -5.329 1.00 0.00 C ATOM 0 H ALA A 9 -9.778 2.863 -5.339 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.717 0.484 -3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.907 -1.004 -5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.009 0.170 -4.640 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.458 0.419 -6.314 1.00 0.00 H new ATOM 111 N LEU A 10 -7.577 0.779 -5.161 1.00 0.00 N ATOM 112 CA LEU A 10 -6.345 0.600 -5.921 1.00 0.00 C ATOM 113 C LEU A 10 -6.054 -0.883 -6.142 1.00 0.00 C ATOM 114 O LEU A 10 -5.994 -1.348 -7.280 1.00 0.00 O ATOM 115 CB LEU A 10 -5.172 1.266 -5.196 1.00 0.00 C ATOM 116 CG LEU A 10 -4.795 2.655 -5.715 1.00 0.00 C ATOM 117 CD1 LEU A 10 -4.389 3.564 -4.565 1.00 0.00 C ATOM 118 CD2 LEU A 10 -3.673 2.553 -6.738 1.00 0.00 C ATOM 0 H LEU A 10 -7.437 1.025 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.473 1.073 -6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.417 1.345 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.300 0.616 -5.274 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.668 3.090 -6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.124 4.547 -4.954 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.221 3.662 -3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.530 3.135 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.417 3.550 -7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.798 2.098 -6.274 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.000 1.938 -7.576 1.00 0.00 H new ATOM 130 N PRO A 11 -5.871 -1.649 -5.052 1.00 0.00 N ATOM 131 CA PRO A 11 -5.588 -3.083 -5.134 1.00 0.00 C ATOM 132 C PRO A 11 -6.836 -3.901 -5.445 1.00 0.00 C ATOM 133 O PRO A 11 -7.876 -3.353 -5.809 1.00 0.00 O ATOM 134 CB PRO A 11 -5.069 -3.412 -3.736 1.00 0.00 C ATOM 135 CG PRO A 11 -5.758 -2.438 -2.845 1.00 0.00 C ATOM 136 CD PRO A 11 -5.926 -1.177 -3.653 1.00 0.00 C ATOM 0 HA PRO A 11 -4.887 -3.320 -5.934 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.303 -4.439 -3.457 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.986 -3.305 -3.679 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.724 -2.824 -2.520 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.171 -2.249 -1.946 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.873 -0.684 -3.434 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.135 -0.457 -3.442 1.00 0.00 H new ATOM 144 N ARG A 12 -6.726 -5.218 -5.296 1.00 0.00 N ATOM 145 CA ARG A 12 -7.849 -6.112 -5.557 1.00 0.00 C ATOM 146 C ARG A 12 -8.538 -6.532 -4.257 1.00 0.00 C ATOM 147 O ARG A 12 -9.545 -7.238 -4.286 1.00 0.00 O ATOM 148 CB ARG A 12 -7.371 -7.350 -6.321 1.00 0.00 C ATOM 149 CG ARG A 12 -7.829 -7.384 -7.770 1.00 0.00 C ATOM 150 CD ARG A 12 -6.740 -6.894 -8.712 1.00 0.00 C ATOM 151 NE ARG A 12 -6.559 -7.791 -9.851 1.00 0.00 N ATOM 152 CZ ARG A 12 -5.475 -7.798 -10.624 1.00 0.00 C ATOM 153 NH1 ARG A 12 -4.475 -6.958 -10.384 1.00 0.00 N ATOM 154 NH2 ARG A 12 -5.389 -8.648 -11.638 1.00 0.00 N ATOM 0 H ARG A 12 -5.872 -5.689 -4.996 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.574 -5.572 -6.165 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.282 -7.387 -6.292 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.734 -8.243 -5.813 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.113 -8.401 -8.039 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.718 -6.764 -7.886 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.993 -5.897 -9.072 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.801 -6.807 -8.166 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.307 -8.450 -10.067 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.535 -6.303 -9.604 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.647 -6.968 -10.979 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.153 -9.297 -11.826 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.558 -8.653 -12.230 1.00 0.00 H new ATOM 168 N VAL A 13 -7.984 -6.096 -3.121 1.00 0.00 N ATOM 169 CA VAL A 13 -8.533 -6.422 -1.802 1.00 0.00 C ATOM 170 C VAL A 13 -8.030 -7.773 -1.297 1.00 0.00 C ATOM 171 O VAL A 13 -8.024 -8.028 -0.093 1.00 0.00 O ATOM 172 CB VAL A 13 -10.078 -6.428 -1.797 1.00 0.00 C ATOM 173 CG1 VAL A 13 -10.605 -6.437 -0.370 1.00 0.00 C ATOM 174 CG2 VAL A 13 -10.622 -5.233 -2.565 1.00 0.00 C ATOM 0 H VAL A 13 -7.149 -5.512 -3.090 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.183 -5.636 -1.133 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.421 -7.335 -2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.695 -6.441 -0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.246 -7.328 0.145 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.253 -5.548 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.712 -5.256 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.272 -4.312 -2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.273 -5.274 -3.597 1.00 0.00 H new ATOM 184 N THR A 14 -7.610 -8.637 -2.217 1.00 0.00 N ATOM 185 CA THR A 14 -7.107 -9.957 -1.853 1.00 0.00 C ATOM 186 C THR A 14 -6.464 -10.643 -3.055 1.00 0.00 C ATOM 187 O THR A 14 -6.540 -10.147 -4.179 1.00 0.00 O ATOM 188 CB THR A 14 -8.239 -10.829 -1.299 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.505 -10.268 -1.605 1.00 0.00 O ATOM 190 CG2 THR A 14 -8.166 -11.021 0.201 1.00 0.00 C ATOM 0 H THR A 14 -7.608 -8.446 -3.219 1.00 0.00 H new ATOM 0 HA THR A 14 -6.350 -9.827 -1.080 1.00 0.00 H new ATOM 0 HB THR A 14 -8.116 -11.800 -1.778 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.213 -10.841 -1.244 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.996 -11.647 0.528 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.223 -11.503 0.461 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.226 -10.051 0.695 1.00 0.00 H new ATOM 198 N CYS A 15 -5.836 -11.786 -2.809 1.00 0.00 N ATOM 199 CA CYS A 15 -5.184 -12.546 -3.870 1.00 0.00 C ATOM 200 C CYS A 15 -6.222 -13.251 -4.740 1.00 0.00 C ATOM 201 O CYS A 15 -7.174 -13.838 -4.227 1.00 0.00 O ATOM 202 CB CYS A 15 -4.227 -13.574 -3.267 1.00 0.00 C ATOM 203 SG CYS A 15 -3.213 -14.451 -4.480 1.00 0.00 S ATOM 0 H CYS A 15 -5.764 -12.208 -1.883 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.619 -11.853 -4.493 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.570 -13.069 -2.559 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.806 -14.303 -2.700 1.00 0.00 H new ATOM 0 HG CYS A 15 -3.134 -15.707 -4.153 1.00 0.00 H new ATOM 209 N PRO A 16 -6.054 -13.208 -6.074 1.00 0.00 N ATOM 210 CA PRO A 16 -6.988 -13.853 -7.002 1.00 0.00 C ATOM 211 C PRO A 16 -7.035 -15.366 -6.818 1.00 0.00 C ATOM 212 O PRO A 16 -8.007 -16.018 -7.202 1.00 0.00 O ATOM 213 CB PRO A 16 -6.430 -13.500 -8.386 1.00 0.00 C ATOM 214 CG PRO A 16 -5.001 -13.155 -8.148 1.00 0.00 C ATOM 215 CD PRO A 16 -4.951 -12.537 -6.781 1.00 0.00 C ATOM 0 HA PRO A 16 -8.012 -13.513 -6.845 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.524 -14.339 -9.075 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.970 -12.663 -8.828 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.371 -14.043 -8.199 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.635 -12.461 -8.905 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.992 -12.713 -6.293 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.095 -11.457 -6.821 1.00 0.00 H new ATOM 223 N ASN A 17 -5.981 -15.924 -6.227 1.00 0.00 N ATOM 224 CA ASN A 17 -5.907 -17.361 -5.994 1.00 0.00 C ATOM 225 C ASN A 17 -5.860 -17.681 -4.499 1.00 0.00 C ATOM 226 O ASN A 17 -5.984 -18.840 -4.103 1.00 0.00 O ATOM 227 CB ASN A 17 -4.677 -17.946 -6.693 1.00 0.00 C ATOM 228 CG ASN A 17 -5.041 -18.770 -7.911 1.00 0.00 C ATOM 229 OD1 ASN A 17 -6.052 -19.473 -7.920 1.00 0.00 O ATOM 230 ND2 ASN A 17 -4.217 -18.687 -8.950 1.00 0.00 N ATOM 0 H ASN A 17 -5.168 -15.402 -5.901 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.807 -17.814 -6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.013 -17.135 -6.992 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.124 -18.568 -5.989 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.411 -19.219 -9.799 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.390 -18.092 -8.899 1.00 0.00 H new ATOM 237 N HIS A 18 -5.695 -16.653 -3.670 1.00 0.00 N ATOM 238 CA HIS A 18 -5.648 -16.845 -2.225 1.00 0.00 C ATOM 239 C HIS A 18 -6.571 -15.859 -1.515 1.00 0.00 C ATOM 240 O HIS A 18 -6.144 -14.780 -1.105 1.00 0.00 O ATOM 241 CB HIS A 18 -4.223 -16.687 -1.699 1.00 0.00 C ATOM 242 CG HIS A 18 -3.277 -17.761 -2.139 1.00 0.00 C ATOM 243 ND1 HIS A 18 -2.076 -17.489 -2.754 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.336 -19.107 -2.014 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.432 -18.616 -2.983 1.00 0.00 C ATOM 246 NE2 HIS A 18 -2.175 -19.616 -2.546 1.00 0.00 N ATOM 0 H HIS A 18 -5.592 -15.684 -3.973 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.989 -17.859 -2.017 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.834 -15.722 -2.024 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.251 -16.669 -0.610 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.736 -16.558 -2.996 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.144 -19.675 -1.578 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.462 -18.706 -3.449 1.00 0.00 H new ATOM 255 N PRO A 19 -7.855 -16.218 -1.353 1.00 0.00 N ATOM 256 CA PRO A 19 -8.831 -15.356 -0.683 1.00 0.00 C ATOM 257 C PRO A 19 -8.430 -15.054 0.756 1.00 0.00 C ATOM 258 O PRO A 19 -8.688 -13.965 1.269 1.00 0.00 O ATOM 259 CB PRO A 19 -10.131 -16.169 -0.722 1.00 0.00 C ATOM 260 CG PRO A 19 -9.710 -17.575 -0.985 1.00 0.00 C ATOM 261 CD PRO A 19 -8.451 -17.487 -1.797 1.00 0.00 C ATOM 0 HA PRO A 19 -8.918 -14.385 -1.170 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.672 -16.091 0.221 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.798 -15.806 -1.504 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.535 -18.111 -0.052 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.485 -18.119 -1.525 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.789 -18.332 -1.607 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.661 -17.481 -2.867 1.00 0.00 H new ATOM 269 N ASP A 20 -7.797 -16.028 1.402 1.00 0.00 N ATOM 270 CA ASP A 20 -7.358 -15.871 2.783 1.00 0.00 C ATOM 271 C ASP A 20 -6.036 -15.110 2.860 1.00 0.00 C ATOM 272 O ASP A 20 -5.742 -14.461 3.865 1.00 0.00 O ATOM 273 CB ASP A 20 -7.214 -17.240 3.452 1.00 0.00 C ATOM 274 CG ASP A 20 -8.384 -17.567 4.359 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.541 -17.419 3.913 1.00 0.00 O ATOM 276 OD2 ASP A 20 -8.144 -17.970 5.516 1.00 0.00 O ATOM 0 H ASP A 20 -7.577 -16.935 0.990 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.115 -15.292 3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.127 -18.009 2.684 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.291 -17.263 4.032 1.00 0.00 H new ATOM 281 N ALA A 21 -5.238 -15.193 1.798 1.00 0.00 N ATOM 282 CA ALA A 21 -3.949 -14.510 1.759 1.00 0.00 C ATOM 283 C ALA A 21 -4.112 -13.042 1.384 1.00 0.00 C ATOM 284 O ALA A 21 -4.069 -12.675 0.209 1.00 0.00 O ATOM 285 CB ALA A 21 -3.013 -15.202 0.791 1.00 0.00 C ATOM 0 H ALA A 21 -5.461 -15.725 0.956 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.516 -14.554 2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.056 -14.680 0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.858 -16.233 1.109 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.450 -15.192 -0.208 1.00 0.00 H new ATOM 291 N ILE A 22 -4.336 -12.231 2.406 1.00 0.00 N ATOM 292 CA ILE A 22 -4.547 -10.800 2.229 1.00 0.00 C ATOM 293 C ILE A 22 -3.262 -10.049 1.869 1.00 0.00 C ATOM 294 O ILE A 22 -2.711 -9.325 2.698 1.00 0.00 O ATOM 295 CB ILE A 22 -5.164 -10.162 3.486 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.329 -11.008 4.004 1.00 0.00 C ATOM 297 CG2 ILE A 22 -5.628 -8.750 3.173 1.00 0.00 C ATOM 298 CD1 ILE A 22 -7.006 -10.423 5.226 1.00 0.00 C ATOM 0 H ILE A 22 -4.377 -12.542 3.377 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.240 -10.709 1.393 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.405 -10.119 4.267 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.067 -11.121 3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.964 -12.006 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.064 -8.304 4.067 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.778 -8.152 2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.376 -8.780 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.822 -11.075 5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.282 -10.335 6.036 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.402 -9.436 4.985 1.00 0.00 H new ATOM 310 N LEU A 23 -2.803 -10.229 0.617 1.00 0.00 N ATOM 311 CA LEU A 23 -1.587 -9.563 0.117 1.00 0.00 C ATOM 312 C LEU A 23 -1.187 -8.422 1.039 1.00 0.00 C ATOM 313 O LEU A 23 -1.881 -7.415 1.136 1.00 0.00 O ATOM 314 CB LEU A 23 -1.799 -9.017 -1.301 1.00 0.00 C ATOM 315 CG LEU A 23 -1.406 -9.957 -2.441 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.608 -10.781 -2.877 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.836 -9.161 -3.612 1.00 0.00 C ATOM 0 H LEU A 23 -3.258 -10.832 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.791 -10.307 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.851 -8.757 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.229 -8.094 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.633 -10.639 -2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.317 -11.447 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.969 -11.372 -2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.400 -10.116 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.561 -9.843 -4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.586 -8.458 -3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.047 -8.612 -3.284 1.00 0.00 H new ATOM 329 N VAL A 24 -0.093 -8.598 1.745 1.00 0.00 N ATOM 330 CA VAL A 24 0.356 -7.593 2.687 1.00 0.00 C ATOM 331 C VAL A 24 1.065 -6.441 1.993 1.00 0.00 C ATOM 332 O VAL A 24 1.480 -6.550 0.843 1.00 0.00 O ATOM 333 CB VAL A 24 1.247 -8.222 3.762 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.401 -7.291 4.956 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.646 -9.557 4.178 1.00 0.00 C ATOM 0 H VAL A 24 0.502 -9.424 1.687 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.528 -7.178 3.171 1.00 0.00 H new ATOM 0 HB VAL A 24 2.245 -8.388 3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.038 -7.762 5.705 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.854 -6.354 4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.421 -7.089 5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.272 -10.015 4.944 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.356 -9.397 4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.591 -10.217 3.312 1.00 0.00 H new ATOM 345 N GLU A 25 1.163 -5.332 2.705 1.00 0.00 N ATOM 346 CA GLU A 25 1.768 -4.138 2.192 1.00 0.00 C ATOM 347 C GLU A 25 3.267 -4.217 2.288 1.00 0.00 C ATOM 348 O GLU A 25 3.835 -4.577 3.320 1.00 0.00 O ATOM 349 CB GLU A 25 1.255 -2.912 2.947 1.00 0.00 C ATOM 350 CG GLU A 25 -0.204 -2.593 2.670 1.00 0.00 C ATOM 351 CD GLU A 25 -0.422 -2.012 1.286 1.00 0.00 C ATOM 352 OE1 GLU A 25 0.464 -2.185 0.424 1.00 0.00 O ATOM 353 OE2 GLU A 25 -1.479 -1.385 1.066 1.00 0.00 O ATOM 0 H GLU A 25 0.819 -5.245 3.661 1.00 0.00 H new ATOM 0 HA GLU A 25 1.494 -4.042 1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.386 -3.074 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.864 -2.049 2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.797 -3.501 2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.566 -1.887 3.417 1.00 0.00 H new ATOM 360 N ASP A 26 3.888 -3.845 1.203 1.00 0.00 N ATOM 361 CA ASP A 26 5.320 -3.812 1.087 1.00 0.00 C ATOM 362 C ASP A 26 5.977 -5.190 1.001 1.00 0.00 C ATOM 363 O ASP A 26 6.512 -5.695 1.989 1.00 0.00 O ATOM 364 CB ASP A 26 5.935 -2.997 2.218 1.00 0.00 C ATOM 365 CG ASP A 26 6.466 -1.657 1.746 1.00 0.00 C ATOM 366 OD1 ASP A 26 5.748 -0.968 0.990 1.00 0.00 O ATOM 367 OD2 ASP A 26 7.598 -1.298 2.129 1.00 0.00 O ATOM 0 H ASP A 26 3.402 -3.550 0.356 1.00 0.00 H new ATOM 0 HA ASP A 26 5.523 -3.327 0.132 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.186 -2.835 2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.746 -3.566 2.672 1.00 0.00 H new ATOM 372 N TYR A 27 5.963 -5.776 -0.196 1.00 0.00 N ATOM 373 CA TYR A 27 6.588 -7.076 -0.422 1.00 0.00 C ATOM 374 C TYR A 27 8.075 -6.990 -0.123 1.00 0.00 C ATOM 375 O TYR A 27 8.831 -6.369 -0.871 1.00 0.00 O ATOM 376 CB TYR A 27 6.361 -7.537 -1.875 1.00 0.00 C ATOM 377 CG TYR A 27 7.628 -7.749 -2.680 1.00 0.00 C ATOM 378 CD1 TYR A 27 8.331 -8.946 -2.602 1.00 0.00 C ATOM 379 CD2 TYR A 27 8.121 -6.753 -3.513 1.00 0.00 C ATOM 380 CE1 TYR A 27 9.487 -9.143 -3.333 1.00 0.00 C ATOM 381 CE2 TYR A 27 9.276 -6.943 -4.247 1.00 0.00 C ATOM 382 CZ TYR A 27 9.956 -8.139 -4.154 1.00 0.00 C ATOM 383 OH TYR A 27 11.107 -8.331 -4.882 1.00 0.00 O ATOM 0 H TYR A 27 5.525 -5.370 -1.023 1.00 0.00 H new ATOM 0 HA TYR A 27 6.132 -7.807 0.245 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.796 -8.469 -1.862 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.744 -6.797 -2.384 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.968 -9.735 -1.960 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.593 -5.814 -3.588 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.021 -10.079 -3.262 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.645 -6.158 -4.891 1.00 0.00 H new ATOM 0 HH TYR A 27 11.298 -7.527 -5.409 1.00 0.00 H new ATOM 393 N ARG A 28 8.498 -7.601 0.978 1.00 0.00 N ATOM 394 CA ARG A 28 9.904 -7.574 1.364 1.00 0.00 C ATOM 395 C ARG A 28 10.476 -6.166 1.197 1.00 0.00 C ATOM 396 O ARG A 28 11.629 -5.993 0.804 1.00 0.00 O ATOM 397 CB ARG A 28 10.693 -8.572 0.512 1.00 0.00 C ATOM 398 CG ARG A 28 11.155 -9.796 1.288 1.00 0.00 C ATOM 399 CD ARG A 28 12.628 -10.093 1.051 1.00 0.00 C ATOM 400 NE ARG A 28 12.827 -11.364 0.360 1.00 0.00 N ATOM 401 CZ ARG A 28 12.672 -11.528 -0.952 1.00 0.00 C ATOM 402 NH1 ARG A 28 12.313 -10.504 -1.717 1.00 0.00 N ATOM 403 NH2 ARG A 28 12.874 -12.717 -1.500 1.00 0.00 N ATOM 0 H ARG A 28 7.892 -8.118 1.615 1.00 0.00 H new ATOM 0 HA ARG A 28 9.988 -7.857 2.413 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.073 -8.894 -0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.563 -8.069 0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.983 -9.638 2.353 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.558 -10.659 0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.070 -9.288 0.463 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.152 -10.114 2.007 1.00 0.00 H new ATOM 0 HE ARG A 28 13.101 -12.174 0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.155 -9.587 -1.300 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.196 -10.635 -2.722 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.148 -13.507 -0.917 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.755 -12.842 -2.505 1.00 0.00 H new ATOM 417 N ALA A 29 9.636 -5.168 1.482 1.00 0.00 N ATOM 418 CA ALA A 29 10.008 -3.757 1.357 1.00 0.00 C ATOM 419 C ALA A 29 9.671 -3.235 -0.036 1.00 0.00 C ATOM 420 O ALA A 29 10.404 -2.427 -0.605 1.00 0.00 O ATOM 421 CB ALA A 29 11.485 -3.540 1.667 1.00 0.00 C ATOM 0 H ALA A 29 8.680 -5.315 1.806 1.00 0.00 H new ATOM 0 HA ALA A 29 9.429 -3.195 2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.727 -2.482 1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.694 -3.863 2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.092 -4.120 0.971 1.00 0.00 H new ATOM 427 N GLY A 30 8.552 -3.710 -0.581 1.00 0.00 N ATOM 428 CA GLY A 30 8.126 -3.288 -1.905 1.00 0.00 C ATOM 429 C GLY A 30 6.650 -2.934 -1.961 1.00 0.00 C ATOM 430 O GLY A 30 6.198 -2.017 -1.275 1.00 0.00 O ATOM 0 H GLY A 30 7.932 -4.381 -0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.715 -2.424 -2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.332 -4.085 -2.620 1.00 0.00 H new ATOM 434 N ASP A 31 5.902 -3.656 -2.792 1.00 0.00 N ATOM 435 CA ASP A 31 4.470 -3.419 -2.950 1.00 0.00 C ATOM 436 C ASP A 31 3.643 -4.420 -2.139 1.00 0.00 C ATOM 437 O ASP A 31 3.861 -4.571 -0.947 1.00 0.00 O ATOM 438 CB ASP A 31 4.099 -3.426 -4.429 1.00 0.00 C ATOM 439 CG ASP A 31 4.537 -4.684 -5.133 1.00 0.00 C ATOM 440 OD1 ASP A 31 3.947 -5.747 -4.861 1.00 0.00 O ATOM 441 OD2 ASP A 31 5.469 -4.603 -5.961 1.00 0.00 O ATOM 0 H ASP A 31 6.267 -4.414 -3.369 1.00 0.00 H new ATOM 0 HA ASP A 31 4.233 -2.433 -2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.019 -3.316 -4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.554 -2.564 -4.917 1.00 0.00 H new ATOM 446 N MET A 32 2.675 -5.081 -2.763 1.00 0.00 N ATOM 447 CA MET A 32 1.819 -6.017 -2.047 1.00 0.00 C ATOM 448 C MET A 32 2.220 -7.474 -2.255 1.00 0.00 C ATOM 449 O MET A 32 2.306 -7.962 -3.377 1.00 0.00 O ATOM 450 CB MET A 32 0.391 -5.806 -2.494 1.00 0.00 C ATOM 451 CG MET A 32 -0.258 -4.580 -1.870 1.00 0.00 C ATOM 452 SD MET A 32 -1.233 -3.630 -3.049 1.00 0.00 S ATOM 453 CE MET A 32 0.040 -2.621 -3.806 1.00 0.00 C ATOM 0 H MET A 32 2.465 -4.987 -3.757 1.00 0.00 H new ATOM 0 HA MET A 32 1.928 -5.817 -0.981 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.368 -5.709 -3.579 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.196 -6.689 -2.240 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.898 -4.894 -1.045 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.516 -3.940 -1.447 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.148 -1.571 -3.584 1.00 0.00 H new ATOM 0 HE2 MET A 32 1.014 -2.906 -3.409 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.030 -2.771 -4.886 1.00 0.00 H new ATOM 463 N ILE A 33 2.508 -8.147 -1.159 1.00 0.00 N ATOM 464 CA ILE A 33 2.943 -9.532 -1.193 1.00 0.00 C ATOM 465 C ILE A 33 1.886 -10.474 -0.626 1.00 0.00 C ATOM 466 O ILE A 33 1.433 -10.304 0.505 1.00 0.00 O ATOM 467 CB ILE A 33 4.255 -9.634 -0.380 1.00 0.00 C ATOM 468 CG1 ILE A 33 5.203 -10.699 -0.934 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.966 -9.868 1.091 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.938 -12.092 -0.414 1.00 0.00 C ATOM 0 H ILE A 33 2.448 -7.752 -0.221 1.00 0.00 H new ATOM 0 HA ILE A 33 3.105 -9.836 -2.227 1.00 0.00 H new ATOM 0 HB ILE A 33 4.766 -8.677 -0.480 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.126 -10.708 -2.021 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.228 -10.420 -0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.905 -9.936 1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.376 -9.039 1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.409 -10.797 1.209 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.653 -12.787 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.044 -12.102 0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.926 -12.394 -0.682 1.00 0.00 H new ATOM 482 N CYS A 34 1.515 -11.487 -1.404 1.00 0.00 N ATOM 483 CA CYS A 34 0.545 -12.468 -0.950 1.00 0.00 C ATOM 484 C CYS A 34 1.277 -13.543 -0.168 1.00 0.00 C ATOM 485 O CYS A 34 1.835 -14.449 -0.762 1.00 0.00 O ATOM 486 CB CYS A 34 -0.173 -13.099 -2.139 1.00 0.00 C ATOM 487 SG CYS A 34 -1.345 -14.393 -1.694 1.00 0.00 S ATOM 0 H CYS A 34 1.871 -11.646 -2.346 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.198 -11.980 -0.319 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.702 -12.318 -2.686 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.571 -13.516 -2.818 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.060 -14.707 -2.733 1.00 0.00 H new ATOM 493 N PRO A 35 1.285 -13.463 1.174 1.00 0.00 N ATOM 494 CA PRO A 35 1.977 -14.430 2.036 1.00 0.00 C ATOM 495 C PRO A 35 1.819 -15.881 1.594 1.00 0.00 C ATOM 496 O PRO A 35 2.568 -16.751 2.038 1.00 0.00 O ATOM 497 CB PRO A 35 1.331 -14.216 3.416 1.00 0.00 C ATOM 498 CG PRO A 35 0.249 -13.204 3.211 1.00 0.00 C ATOM 499 CD PRO A 35 0.621 -12.438 1.977 1.00 0.00 C ATOM 0 HA PRO A 35 3.054 -14.263 2.014 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.924 -15.149 3.805 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.065 -13.862 4.140 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.720 -13.689 3.091 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.169 -12.540 4.072 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.253 -12.027 1.472 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.283 -11.601 2.200 1.00 0.00 H new ATOM 507 N GLU A 36 0.842 -16.149 0.745 1.00 0.00 N ATOM 508 CA GLU A 36 0.593 -17.500 0.285 1.00 0.00 C ATOM 509 C GLU A 36 1.409 -17.815 -0.960 1.00 0.00 C ATOM 510 O GLU A 36 2.320 -18.634 -0.921 1.00 0.00 O ATOM 511 CB GLU A 36 -0.897 -17.683 0.013 1.00 0.00 C ATOM 512 CG GLU A 36 -1.655 -18.306 1.173 1.00 0.00 C ATOM 513 CD GLU A 36 -1.146 -19.689 1.527 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.581 -20.359 0.638 1.00 0.00 O ATOM 515 OE2 GLU A 36 -1.312 -20.102 2.694 1.00 0.00 O ATOM 0 H GLU A 36 0.209 -15.447 0.361 1.00 0.00 H new ATOM 0 HA GLU A 36 0.901 -18.196 1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.337 -16.713 -0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.022 -18.309 -0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.572 -17.658 2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.713 -18.366 0.920 1.00 0.00 H new ATOM 522 N CYS A 37 1.133 -17.114 -2.047 1.00 0.00 N ATOM 523 CA CYS A 37 1.902 -17.307 -3.272 1.00 0.00 C ATOM 524 C CYS A 37 3.063 -16.341 -3.248 1.00 0.00 C ATOM 525 O CYS A 37 4.053 -16.500 -3.957 1.00 0.00 O ATOM 526 CB CYS A 37 1.051 -17.064 -4.524 1.00 0.00 C ATOM 527 SG CYS A 37 0.081 -15.541 -4.483 1.00 0.00 S ATOM 0 H CYS A 37 0.393 -16.415 -2.110 1.00 0.00 H new ATOM 0 HA CYS A 37 2.250 -18.339 -3.315 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.706 -17.040 -5.395 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.374 -17.908 -4.658 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.336 -15.325 -3.271 1.00 0.00 H new ATOM 533 N GLY A 38 2.898 -15.329 -2.412 1.00 0.00 N ATOM 534 CA GLY A 38 3.879 -14.300 -2.246 1.00 0.00 C ATOM 535 C GLY A 38 4.033 -13.474 -3.492 1.00 0.00 C ATOM 536 O GLY A 38 5.119 -12.985 -3.807 1.00 0.00 O ATOM 0 H GLY A 38 2.069 -15.209 -1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.593 -13.655 -1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.838 -14.749 -1.986 1.00 0.00 H new ATOM 540 N LEU A 39 2.922 -13.306 -4.190 1.00 0.00 N ATOM 541 CA LEU A 39 2.891 -12.520 -5.402 1.00 0.00 C ATOM 542 C LEU A 39 3.078 -11.056 -5.052 1.00 0.00 C ATOM 543 O LEU A 39 2.615 -10.604 -4.006 1.00 0.00 O ATOM 544 CB LEU A 39 1.558 -12.726 -6.114 1.00 0.00 C ATOM 545 CG LEU A 39 0.433 -11.817 -5.623 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.273 -10.651 -6.566 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.869 -12.577 -5.481 1.00 0.00 C ATOM 0 H LEU A 39 2.022 -13.711 -3.930 1.00 0.00 H new ATOM 0 HA LEU A 39 3.695 -12.836 -6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.701 -12.562 -7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.250 -13.764 -5.990 1.00 0.00 H new ATOM 0 HG LEU A 39 0.699 -11.442 -4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.530 -10.005 -6.213 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.203 -10.085 -6.605 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.030 -11.020 -7.563 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.649 -11.901 -5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.156 -12.991 -6.448 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.741 -13.387 -4.763 1.00 0.00 H new ATOM 559 N VAL A 40 3.792 -10.339 -5.900 1.00 0.00 N ATOM 560 CA VAL A 40 4.084 -8.946 -5.660 1.00 0.00 C ATOM 561 C VAL A 40 3.328 -8.042 -6.624 1.00 0.00 C ATOM 562 O VAL A 40 3.584 -8.051 -7.828 1.00 0.00 O ATOM 563 CB VAL A 40 5.598 -8.716 -5.798 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.966 -7.264 -5.572 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.349 -9.624 -4.837 1.00 0.00 C ATOM 0 H VAL A 40 4.182 -10.707 -6.768 1.00 0.00 H new ATOM 0 HA VAL A 40 3.759 -8.694 -4.650 1.00 0.00 H new ATOM 0 HB VAL A 40 5.888 -8.964 -6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.044 -7.141 -5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.456 -6.641 -6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.663 -6.964 -4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.421 -9.456 -4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.044 -9.403 -3.814 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.121 -10.665 -5.067 1.00 0.00 H new ATOM 575 N VAL A 41 2.414 -7.243 -6.083 1.00 0.00 N ATOM 576 CA VAL A 41 1.642 -6.311 -6.891 1.00 0.00 C ATOM 577 C VAL A 41 1.851 -4.881 -6.402 1.00 0.00 C ATOM 578 O VAL A 41 1.777 -4.614 -5.205 1.00 0.00 O ATOM 579 CB VAL A 41 0.126 -6.598 -6.845 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.659 -5.504 -7.555 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.196 -7.948 -7.451 1.00 0.00 C ATOM 0 H VAL A 41 2.191 -7.224 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 41 1.997 -6.436 -7.914 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.171 -6.613 -5.796 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.724 -5.731 -7.508 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.470 -4.547 -7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.346 -5.450 -8.598 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.271 -8.121 -7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.129 -7.967 -8.491 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.322 -8.729 -6.895 1.00 0.00 H new ATOM 591 N GLY A 42 2.076 -3.965 -7.337 1.00 0.00 N ATOM 592 CA GLY A 42 2.258 -2.574 -6.973 1.00 0.00 C ATOM 593 C GLY A 42 3.480 -1.945 -7.591 1.00 0.00 C ATOM 594 O GLY A 42 3.972 -0.921 -7.116 1.00 0.00 O ATOM 0 H GLY A 42 2.135 -4.160 -8.336 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.376 -2.009 -7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.329 -2.497 -5.888 1.00 0.00 H new ATOM 598 N ASP A 43 3.975 -2.564 -8.638 1.00 0.00 N ATOM 599 CA ASP A 43 5.152 -2.084 -9.331 1.00 0.00 C ATOM 600 C ASP A 43 4.989 -0.630 -9.768 1.00 0.00 C ATOM 601 O ASP A 43 4.053 0.052 -9.352 1.00 0.00 O ATOM 602 CB ASP A 43 5.389 -2.990 -10.521 1.00 0.00 C ATOM 603 CG ASP A 43 6.825 -3.467 -10.617 1.00 0.00 C ATOM 604 OD1 ASP A 43 7.176 -4.435 -9.909 1.00 0.00 O ATOM 605 OD2 ASP A 43 7.598 -2.875 -11.399 1.00 0.00 O ATOM 0 H ASP A 43 3.574 -3.414 -9.034 1.00 0.00 H new ATOM 0 HA ASP A 43 6.012 -2.109 -8.662 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.728 -3.854 -10.452 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.125 -2.458 -11.435 1.00 0.00 H new ATOM 610 N ARG A 44 5.912 -0.157 -10.599 1.00 0.00 N ATOM 611 CA ARG A 44 5.875 1.222 -11.077 1.00 0.00 C ATOM 612 C ARG A 44 6.220 2.177 -9.935 1.00 0.00 C ATOM 613 O ARG A 44 5.717 2.034 -8.821 1.00 0.00 O ATOM 614 CB ARG A 44 4.494 1.537 -11.694 1.00 0.00 C ATOM 615 CG ARG A 44 3.831 2.822 -11.203 1.00 0.00 C ATOM 616 CD ARG A 44 2.792 2.536 -10.130 1.00 0.00 C ATOM 617 NE ARG A 44 3.281 2.851 -8.790 1.00 0.00 N ATOM 618 CZ ARG A 44 2.558 2.699 -7.682 1.00 0.00 C ATOM 619 NH1 ARG A 44 1.317 2.235 -7.751 1.00 0.00 N ATOM 620 NH2 ARG A 44 3.078 3.010 -6.503 1.00 0.00 N ATOM 0 H ARG A 44 6.694 -0.707 -10.955 1.00 0.00 H new ATOM 0 HA ARG A 44 6.621 1.356 -11.861 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.605 1.597 -12.777 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.825 0.702 -11.488 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.590 3.496 -10.806 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.359 3.333 -12.042 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.893 3.118 -10.333 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.508 1.485 -10.173 1.00 0.00 H new ATOM 0 HE ARG A 44 4.232 3.208 -8.698 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.913 1.993 -8.656 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.767 2.120 -6.899 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.032 3.366 -6.444 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.524 2.893 -5.655 1.00 0.00 H new ATOM 634 N VAL A 45 7.094 3.137 -10.216 1.00 0.00 N ATOM 635 CA VAL A 45 7.520 4.101 -9.207 1.00 0.00 C ATOM 636 C VAL A 45 6.687 5.379 -9.258 1.00 0.00 C ATOM 637 O VAL A 45 6.310 5.925 -8.222 1.00 0.00 O ATOM 638 CB VAL A 45 9.010 4.462 -9.371 1.00 0.00 C ATOM 639 CG1 VAL A 45 9.256 5.144 -10.710 1.00 0.00 C ATOM 640 CG2 VAL A 45 9.478 5.344 -8.222 1.00 0.00 C ATOM 0 H VAL A 45 7.521 3.269 -11.133 1.00 0.00 H new ATOM 0 HA VAL A 45 7.370 3.623 -8.239 1.00 0.00 H new ATOM 0 HB VAL A 45 9.589 3.539 -9.350 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.314 5.390 -10.804 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.966 4.473 -11.519 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.665 6.058 -10.767 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.532 5.588 -8.356 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.892 6.263 -8.207 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.345 4.814 -7.279 1.00 0.00 H new ATOM 650 N ILE A 46 6.414 5.861 -10.468 1.00 0.00 N ATOM 651 CA ILE A 46 5.636 7.085 -10.655 1.00 0.00 C ATOM 652 C ILE A 46 6.473 8.321 -10.333 1.00 0.00 C ATOM 653 O ILE A 46 6.638 9.205 -11.173 1.00 0.00 O ATOM 654 CB ILE A 46 4.362 7.103 -9.784 1.00 0.00 C ATOM 655 CG1 ILE A 46 3.615 5.773 -9.900 1.00 0.00 C ATOM 656 CG2 ILE A 46 3.462 8.259 -10.191 1.00 0.00 C ATOM 657 CD1 ILE A 46 2.339 5.724 -9.088 1.00 0.00 C ATOM 0 H ILE A 46 6.720 5.422 -11.336 1.00 0.00 H new ATOM 0 HA ILE A 46 5.340 7.104 -11.704 1.00 0.00 H new ATOM 0 HB ILE A 46 4.654 7.241 -8.743 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.377 5.589 -10.948 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.273 4.966 -9.577 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.567 8.260 -9.569 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.996 9.200 -10.060 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.176 8.147 -11.237 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.862 4.752 -9.218 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.572 5.876 -8.034 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.662 6.508 -9.426 1.00 0.00 H new ATOM 669 N ASP A 47 6.997 8.375 -9.109 1.00 0.00 N ATOM 670 CA ASP A 47 7.819 9.500 -8.666 1.00 0.00 C ATOM 671 C ASP A 47 6.953 10.710 -8.329 1.00 0.00 C ATOM 672 O ASP A 47 6.755 11.034 -7.157 1.00 0.00 O ATOM 673 CB ASP A 47 8.852 9.873 -9.737 1.00 0.00 C ATOM 674 CG ASP A 47 10.263 9.925 -9.185 1.00 0.00 C ATOM 675 OD1 ASP A 47 10.622 9.035 -8.386 1.00 0.00 O ATOM 676 OD2 ASP A 47 11.010 10.857 -9.552 1.00 0.00 O ATOM 0 H ASP A 47 6.866 7.649 -8.404 1.00 0.00 H new ATOM 0 HA ASP A 47 8.347 9.191 -7.764 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.809 9.147 -10.548 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.595 10.843 -10.163 1.00 0.00 H new ATOM 681 N VAL A 48 6.441 11.373 -9.359 1.00 0.00 N ATOM 682 CA VAL A 48 5.597 12.546 -9.164 1.00 0.00 C ATOM 683 C VAL A 48 6.363 13.661 -8.460 1.00 0.00 C ATOM 684 O VAL A 48 5.777 14.477 -7.748 1.00 0.00 O ATOM 685 CB VAL A 48 4.339 12.205 -8.343 1.00 0.00 C ATOM 686 CG1 VAL A 48 3.355 13.363 -8.361 1.00 0.00 C ATOM 687 CG2 VAL A 48 3.688 10.934 -8.867 1.00 0.00 C ATOM 0 H VAL A 48 6.595 11.120 -10.335 1.00 0.00 H new ATOM 0 HA VAL A 48 5.293 12.885 -10.154 1.00 0.00 H new ATOM 0 HB VAL A 48 4.640 12.033 -7.309 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.474 13.101 -7.775 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.826 14.247 -7.932 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.058 13.572 -9.389 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.801 10.709 -8.275 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.402 11.075 -9.909 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.394 10.107 -8.793 1.00 0.00 H new ATOM 697 N GLY A 49 7.677 13.690 -8.663 1.00 0.00 N ATOM 698 CA GLY A 49 8.502 14.709 -8.039 1.00 0.00 C ATOM 699 C GLY A 49 9.368 15.447 -9.040 1.00 0.00 C ATOM 700 O GLY A 49 8.868 15.968 -10.037 1.00 0.00 O ATOM 0 H GLY A 49 8.185 13.026 -9.248 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.862 15.423 -7.521 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.138 14.246 -7.285 1.00 0.00 H new ATOM 704 N SER A 50 10.670 15.493 -8.774 1.00 0.00 N ATOM 705 CA SER A 50 11.607 16.173 -9.659 1.00 0.00 C ATOM 706 C SER A 50 11.241 17.647 -9.809 1.00 0.00 C ATOM 707 O SER A 50 10.818 18.089 -10.878 1.00 0.00 O ATOM 708 CB SER A 50 11.628 15.497 -11.031 1.00 0.00 C ATOM 709 OG SER A 50 12.422 16.228 -11.949 1.00 0.00 O ATOM 0 H SER A 50 11.099 15.067 -7.952 1.00 0.00 H new ATOM 0 HA SER A 50 12.601 16.108 -9.216 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.018 14.484 -10.934 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.611 15.412 -11.413 1.00 0.00 H new ATOM 0 HG SER A 50 12.041 17.123 -12.070 1.00 0.00 H new ATOM 715 N GLU A 51 11.405 18.404 -8.729 1.00 0.00 N ATOM 716 CA GLU A 51 11.091 19.829 -8.738 1.00 0.00 C ATOM 717 C GLU A 51 12.366 20.667 -8.673 1.00 0.00 C ATOM 718 O GLU A 51 13.460 20.170 -8.941 1.00 0.00 O ATOM 719 CB GLU A 51 10.169 20.174 -7.565 1.00 0.00 C ATOM 720 CG GLU A 51 8.979 21.031 -7.961 1.00 0.00 C ATOM 721 CD GLU A 51 8.288 21.658 -6.765 1.00 0.00 C ATOM 722 OE1 GLU A 51 8.495 21.167 -5.636 1.00 0.00 O ATOM 723 OE2 GLU A 51 7.539 22.639 -6.958 1.00 0.00 O ATOM 0 H GLU A 51 11.754 18.055 -7.836 1.00 0.00 H new ATOM 0 HA GLU A 51 10.578 20.061 -9.671 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.807 19.250 -7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.745 20.697 -6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.312 21.818 -8.637 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.263 20.420 -8.511 1.00 0.00 H new ATOM 730 N TRP A 52 12.219 21.942 -8.317 1.00 0.00 N ATOM 731 CA TRP A 52 13.358 22.851 -8.219 1.00 0.00 C ATOM 732 C TRP A 52 14.502 22.218 -7.429 1.00 0.00 C ATOM 733 O TRP A 52 15.614 22.076 -7.935 1.00 0.00 O ATOM 734 CB TRP A 52 12.930 24.164 -7.558 1.00 0.00 C ATOM 735 CG TRP A 52 12.681 25.269 -8.540 1.00 0.00 C ATOM 736 CD1 TRP A 52 13.608 26.120 -9.068 1.00 0.00 C ATOM 737 CD2 TRP A 52 11.420 25.643 -9.108 1.00 0.00 C ATOM 738 NE1 TRP A 52 13.002 27.000 -9.931 1.00 0.00 N ATOM 739 CE2 TRP A 52 11.659 26.728 -9.972 1.00 0.00 C ATOM 740 CE3 TRP A 52 10.113 25.167 -8.969 1.00 0.00 C ATOM 741 CZ2 TRP A 52 10.639 27.343 -10.695 1.00 0.00 C ATOM 742 CZ3 TRP A 52 9.102 25.778 -9.688 1.00 0.00 C ATOM 743 CH2 TRP A 52 9.370 26.856 -10.540 1.00 0.00 C ATOM 0 H TRP A 52 11.320 22.369 -8.091 1.00 0.00 H new ATOM 0 HA TRP A 52 13.714 23.056 -9.229 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.023 23.992 -6.978 1.00 0.00 H new ATOM 0 HB3 TRP A 52 13.703 24.478 -6.856 1.00 0.00 H new ATOM 0 HD1 TRP A 52 14.664 26.104 -8.841 1.00 0.00 H new ATOM 0 HE1 TRP A 52 13.474 27.736 -10.456 1.00 0.00 H new ATOM 0 HE3 TRP A 52 9.897 24.337 -8.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 10.843 28.174 -11.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 8.089 25.417 -9.591 1.00 0.00 H new ATOM 0 HH2 TRP A 52 8.558 27.313 -11.086 1.00 0.00 H new ATOM 754 N ARG A 53 14.220 21.843 -6.186 1.00 0.00 N ATOM 755 CA ARG A 53 15.225 21.227 -5.327 1.00 0.00 C ATOM 756 C ARG A 53 16.409 22.166 -5.117 1.00 0.00 C ATOM 757 O ARG A 53 17.523 21.889 -5.563 1.00 0.00 O ATOM 758 CB ARG A 53 15.703 19.905 -5.934 1.00 0.00 C ATOM 759 CG ARG A 53 14.978 18.687 -5.386 1.00 0.00 C ATOM 760 CD ARG A 53 15.311 18.454 -3.921 1.00 0.00 C ATOM 761 NE ARG A 53 14.717 17.219 -3.415 1.00 0.00 N ATOM 762 CZ ARG A 53 14.551 16.953 -2.121 1.00 0.00 C ATOM 763 NH1 ARG A 53 14.935 17.829 -1.201 1.00 0.00 N ATOM 764 NH2 ARG A 53 14.000 15.807 -1.746 1.00 0.00 N ATOM 0 H ARG A 53 13.304 21.955 -5.751 1.00 0.00 H new ATOM 0 HA ARG A 53 14.768 21.028 -4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.569 19.942 -7.015 1.00 0.00 H new ATOM 0 HB3 ARG A 53 16.772 19.795 -5.749 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.902 18.821 -5.499 1.00 0.00 H new ATOM 0 HG3 ARG A 53 15.252 17.807 -5.967 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.393 18.413 -3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.954 19.297 -3.329 1.00 0.00 H new ATOM 0 HE ARG A 53 14.412 16.520 -4.092 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.360 18.712 -1.484 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.805 17.619 -0.211 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.704 15.130 -2.449 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.873 15.603 -0.755 1.00 0.00 H new ATOM 778 N THR A 54 16.160 23.280 -4.436 1.00 0.00 N ATOM 779 CA THR A 54 17.204 24.262 -4.167 1.00 0.00 C ATOM 780 C THR A 54 17.593 24.251 -2.692 1.00 0.00 C ATOM 781 O THR A 54 16.832 23.789 -1.842 1.00 0.00 O ATOM 782 CB THR A 54 16.736 25.660 -4.573 1.00 0.00 C ATOM 783 OG1 THR A 54 15.918 25.599 -5.728 1.00 0.00 O ATOM 784 CG2 THR A 54 17.875 26.612 -4.866 1.00 0.00 C ATOM 0 H THR A 54 15.244 23.525 -4.060 1.00 0.00 H new ATOM 0 HA THR A 54 18.080 23.995 -4.758 1.00 0.00 H new ATOM 0 HB THR A 54 16.180 26.039 -3.715 1.00 0.00 H new ATOM 0 HG1 THR A 54 15.627 26.503 -5.971 1.00 0.00 H new ATOM 0 HG21 THR A 54 17.473 27.585 -5.148 1.00 0.00 H new ATOM 0 HG22 THR A 54 18.497 26.720 -3.977 1.00 0.00 H new ATOM 0 HG23 THR A 54 18.477 26.218 -5.684 1.00 0.00 H new ATOM 792 N PHE A 55 18.783 24.764 -2.395 1.00 0.00 N ATOM 793 CA PHE A 55 19.273 24.813 -1.022 1.00 0.00 C ATOM 794 C PHE A 55 19.758 26.215 -0.666 1.00 0.00 C ATOM 795 O PHE A 55 20.662 26.381 0.153 1.00 0.00 O ATOM 796 CB PHE A 55 20.405 23.802 -0.825 1.00 0.00 C ATOM 797 CG PHE A 55 21.643 24.121 -1.616 1.00 0.00 C ATOM 798 CD1 PHE A 55 21.637 24.039 -2.999 1.00 0.00 C ATOM 799 CD2 PHE A 55 22.809 24.506 -0.976 1.00 0.00 C ATOM 800 CE1 PHE A 55 22.774 24.332 -3.729 1.00 0.00 C ATOM 801 CE2 PHE A 55 23.949 24.800 -1.699 1.00 0.00 C ATOM 802 CZ PHE A 55 23.931 24.714 -3.079 1.00 0.00 C ATOM 0 H PHE A 55 19.425 25.151 -3.086 1.00 0.00 H new ATOM 0 HA PHE A 55 18.447 24.556 -0.359 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.662 23.759 0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 55 20.049 22.811 -1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 55 20.734 23.743 -3.513 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.827 24.577 0.101 1.00 0.00 H new ATOM 0 HE1 PHE A 55 22.757 24.262 -4.807 1.00 0.00 H new ATOM 0 HE2 PHE A 55 24.853 25.096 -1.187 1.00 0.00 H new ATOM 0 HZ PHE A 55 24.820 24.945 -3.647 1.00 0.00 H new ATOM 812 N SER A 56 19.150 27.222 -1.287 1.00 0.00 N ATOM 813 CA SER A 56 19.521 28.610 -1.035 1.00 0.00 C ATOM 814 C SER A 56 20.988 28.852 -1.378 1.00 0.00 C ATOM 815 O SER A 56 21.734 27.914 -1.658 1.00 0.00 O ATOM 816 CB SER A 56 19.262 28.972 0.429 1.00 0.00 C ATOM 817 OG SER A 56 17.970 28.553 0.836 1.00 0.00 O ATOM 0 H SER A 56 18.399 27.103 -1.967 1.00 0.00 H new ATOM 0 HA SER A 56 18.907 29.245 -1.673 1.00 0.00 H new ATOM 0 HB2 SER A 56 20.016 28.504 1.062 1.00 0.00 H new ATOM 0 HB3 SER A 56 19.358 30.049 0.563 1.00 0.00 H new ATOM 0 HG SER A 56 17.829 28.794 1.775 1.00 0.00 H new ATOM 823 N ASN A 57 21.395 30.118 -1.353 1.00 0.00 N ATOM 824 CA ASN A 57 22.773 30.483 -1.661 1.00 0.00 C ATOM 825 C ASN A 57 23.464 31.079 -0.439 1.00 0.00 C ATOM 826 O ASN A 57 22.829 31.325 0.587 1.00 0.00 O ATOM 827 CB ASN A 57 22.810 31.482 -2.820 1.00 0.00 C ATOM 828 CG ASN A 57 24.088 31.379 -3.630 1.00 0.00 C ATOM 829 OD1 ASN A 57 24.723 30.325 -3.678 1.00 0.00 O ATOM 830 ND2 ASN A 57 24.472 32.476 -4.273 1.00 0.00 N ATOM 0 H ASN A 57 20.791 30.907 -1.123 1.00 0.00 H new ATOM 0 HA ASN A 57 23.306 29.578 -1.952 1.00 0.00 H new ATOM 0 HB2 ASN A 57 21.954 31.309 -3.473 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.712 32.494 -2.427 1.00 0.00 H new ATOM 0 HD21 ASN A 57 25.324 32.466 -4.834 1.00 0.00 H new ATOM 0 HD22 ASN A 57 23.915 33.328 -4.205 1.00 0.00 H new ATOM 837 N ASP A 58 24.768 31.307 -0.556 1.00 0.00 N ATOM 838 CA ASP A 58 25.545 31.874 0.540 1.00 0.00 C ATOM 839 C ASP A 58 26.068 33.261 0.177 1.00 0.00 C ATOM 840 O ASP A 58 25.672 34.260 0.776 1.00 0.00 O ATOM 841 CB ASP A 58 26.715 30.952 0.893 1.00 0.00 C ATOM 842 CG ASP A 58 26.958 30.873 2.387 1.00 0.00 C ATOM 843 OD1 ASP A 58 27.489 31.851 2.954 1.00 0.00 O ATOM 844 OD2 ASP A 58 26.616 29.833 2.990 1.00 0.00 O ATOM 0 H ASP A 58 25.308 31.108 -1.398 1.00 0.00 H new ATOM 0 HA ASP A 58 24.890 31.968 1.406 1.00 0.00 H new ATOM 0 HB2 ASP A 58 26.516 29.952 0.507 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.618 31.310 0.399 1.00 0.00 H new ATOM 849 N LYS A 59 26.959 33.312 -0.808 1.00 0.00 N ATOM 850 CA LYS A 59 27.535 34.576 -1.252 1.00 0.00 C ATOM 851 C LYS A 59 26.453 35.512 -1.780 1.00 0.00 C ATOM 852 O LYS A 59 25.756 35.127 -2.742 1.00 0.00 O ATOM 853 CB LYS A 59 28.586 34.329 -2.335 1.00 0.00 C ATOM 854 CG LYS A 59 29.811 35.221 -2.209 1.00 0.00 C ATOM 855 CD LYS A 59 30.871 34.862 -3.238 1.00 0.00 C ATOM 856 CE LYS A 59 31.499 33.509 -2.945 1.00 0.00 C ATOM 857 NZ LYS A 59 31.042 32.464 -3.903 1.00 0.00 N ATOM 0 H LYS A 59 27.298 32.493 -1.313 1.00 0.00 H new ATOM 0 HA LYS A 59 28.012 35.050 -0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.900 33.286 -2.293 1.00 0.00 H new ATOM 0 HB3 LYS A 59 28.132 34.486 -3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 59 29.518 36.263 -2.336 1.00 0.00 H new ATOM 0 HG3 LYS A 59 30.229 35.127 -1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 59 30.424 34.849 -4.232 1.00 0.00 H new ATOM 0 HD3 LYS A 59 31.645 35.629 -3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 59 32.585 33.595 -2.993 1.00 0.00 H new ATOM 0 HE3 LYS A 59 31.248 33.205 -1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 31.355 31.529 -3.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 30.004 32.480 -3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 31.448 32.652 -4.842 1.00 0.00 H new TER 871 LYS A 59