USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 744 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 167:sc=-0.00376 (180deg=-0.117) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 158:sc= -0.126 (180deg=-0.561) USER MOD Single : A 26 LYS NZ :NH3+ -107:sc= 0.277 (180deg=0) USER MOD Single : A 29 SER OG : rot 42:sc= 0.166 USER MOD Single : A 34 TYR OH : rot -141:sc= 0.345 USER MOD Single : A 35 TYR OH : rot -179:sc= 0.174 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.35 X(o=-0.35,f=-0.26) USER MOD Single : A 40 THR OG1 : rot 87:sc= 1.4 USER MOD Single : A 41 CYS SG : rot 180:sc= 0.0184 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00682) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= -0.0148 (180deg=-0.183) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 164:sc= 1.24 (180deg=0.934) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 140:sc= -1.9 USER MOD Single : A 77 LYS NZ :NH3+ 150:sc= 0.755 (180deg=-0.865) USER MOD Single : A 84 LYS NZ :NH3+ -171:sc= 1.44 (180deg=1.38) USER MOD Single : A 85 HIS : no HD1:sc= -0.613 X(o=-0.61,f=-0.65) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.022 X(o=-0.022,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 33 N VAL A 3 -5.384 8.567 -2.939 1.00 0.00 N ATOM 34 CA VAL A 3 -4.359 7.549 -3.113 1.00 0.00 C ATOM 35 C VAL A 3 -3.315 8.098 -4.097 1.00 0.00 C ATOM 36 O VAL A 3 -3.680 8.747 -5.083 1.00 0.00 O ATOM 37 CB VAL A 3 -5.035 6.273 -3.662 1.00 0.00 C ATOM 38 CG1 VAL A 3 -4.035 5.112 -3.711 1.00 0.00 C ATOM 39 CG2 VAL A 3 -6.256 5.824 -2.839 1.00 0.00 C ATOM 0 HA VAL A 3 -3.864 7.301 -2.174 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.381 6.533 -4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.530 4.222 -4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.201 5.377 -4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.662 4.910 -2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.681 4.923 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.947 5.615 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.005 6.616 -2.838 1.00 0.00 H new ATOM 49 N LYS A 4 -2.026 7.842 -3.855 1.00 0.00 N ATOM 50 CA LYS A 4 -0.945 8.291 -4.725 1.00 0.00 C ATOM 51 C LYS A 4 -0.067 7.093 -5.019 1.00 0.00 C ATOM 52 O LYS A 4 0.841 6.772 -4.256 1.00 0.00 O ATOM 53 CB LYS A 4 -0.189 9.445 -4.062 1.00 0.00 C ATOM 54 CG LYS A 4 0.567 10.325 -5.069 1.00 0.00 C ATOM 55 CD LYS A 4 0.615 11.796 -4.631 1.00 0.00 C ATOM 56 CE LYS A 4 1.714 12.532 -5.400 1.00 0.00 C ATOM 57 NZ LYS A 4 1.741 13.974 -5.080 1.00 0.00 N ATOM 0 H LYS A 4 -1.705 7.314 -3.044 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.321 8.682 -5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.895 10.063 -3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.519 9.040 -3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.583 9.949 -5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.086 10.253 -6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.349 12.271 -4.814 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.804 11.860 -3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.681 12.090 -5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.558 12.401 -6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.499 14.436 -5.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.827 14.402 -5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.916 14.101 -4.063 1.00 0.00 H new ATOM 71 N ILE A 5 -0.408 6.387 -6.085 1.00 0.00 N ATOM 72 CA ILE A 5 0.355 5.248 -6.572 1.00 0.00 C ATOM 73 C ILE A 5 1.427 5.806 -7.503 1.00 0.00 C ATOM 74 O ILE A 5 1.149 6.737 -8.269 1.00 0.00 O ATOM 75 CB ILE A 5 -0.568 4.227 -7.288 1.00 0.00 C ATOM 76 CG1 ILE A 5 -1.769 3.906 -6.369 1.00 0.00 C ATOM 77 CG2 ILE A 5 0.222 2.961 -7.671 1.00 0.00 C ATOM 78 CD1 ILE A 5 -2.676 2.748 -6.777 1.00 0.00 C ATOM 0 H ILE A 5 -1.235 6.592 -6.645 1.00 0.00 H new ATOM 0 HA ILE A 5 0.819 4.702 -5.751 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.948 4.654 -8.216 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.383 3.696 -5.371 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.383 4.803 -6.291 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.441 2.256 -8.172 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.038 3.230 -8.341 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.629 2.500 -6.771 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.475 2.636 -6.044 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.108 2.952 -7.756 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.093 1.828 -6.822 1.00 0.00 H new ATOM 90 N GLU A 6 2.614 5.216 -7.504 1.00 0.00 N ATOM 91 CA GLU A 6 3.507 5.256 -8.648 1.00 0.00 C ATOM 92 C GLU A 6 4.344 3.986 -8.702 1.00 0.00 C ATOM 93 O GLU A 6 4.218 3.117 -7.846 1.00 0.00 O ATOM 94 CB GLU A 6 4.363 6.514 -8.654 1.00 0.00 C ATOM 95 CG GLU A 6 5.280 6.725 -7.460 1.00 0.00 C ATOM 96 CD GLU A 6 6.249 7.843 -7.833 1.00 0.00 C ATOM 97 OE1 GLU A 6 5.787 8.985 -8.066 1.00 0.00 O ATOM 98 OE2 GLU A 6 7.441 7.554 -8.082 1.00 0.00 O ATOM 0 H GLU A 6 2.984 4.695 -6.708 1.00 0.00 H new ATOM 0 HA GLU A 6 2.904 5.299 -9.555 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.976 6.504 -9.555 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.700 7.376 -8.729 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.704 6.993 -6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.821 5.809 -7.223 1.00 0.00 H new ATOM 105 N LYS A 7 5.207 3.845 -9.705 1.00 0.00 N ATOM 106 CA LYS A 7 6.040 2.669 -9.872 1.00 0.00 C ATOM 107 C LYS A 7 7.514 3.036 -10.050 1.00 0.00 C ATOM 108 O LYS A 7 7.954 3.217 -11.187 1.00 0.00 O ATOM 109 CB LYS A 7 5.407 1.657 -10.787 1.00 0.00 C ATOM 110 CG LYS A 7 4.707 2.201 -12.015 1.00 0.00 C ATOM 111 CD LYS A 7 3.279 1.634 -12.085 1.00 0.00 C ATOM 112 CE LYS A 7 2.454 2.187 -13.242 1.00 0.00 C ATOM 113 NZ LYS A 7 2.935 1.691 -14.539 1.00 0.00 N ATOM 0 H LYS A 7 5.345 4.552 -10.427 1.00 0.00 H new ATOM 0 HA LYS A 7 6.087 2.095 -8.946 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.181 0.963 -11.115 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.684 1.080 -10.210 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.676 3.290 -11.976 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.262 1.930 -12.913 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.333 0.549 -12.175 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.765 1.851 -11.148 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.409 1.907 -13.110 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.496 3.276 -13.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.350 2.088 -15.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.925 1.980 -14.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.871 0.653 -14.559 1.00 0.00 H new ATOM 127 N PRO A 8 8.232 3.226 -8.929 1.00 0.00 N ATOM 128 CA PRO A 8 9.579 3.789 -8.878 1.00 0.00 C ATOM 129 C PRO A 8 10.682 2.769 -9.197 1.00 0.00 C ATOM 130 O PRO A 8 10.450 1.556 -9.225 1.00 0.00 O ATOM 131 CB PRO A 8 9.722 4.313 -7.442 1.00 0.00 C ATOM 132 CG PRO A 8 8.787 3.434 -6.614 1.00 0.00 C ATOM 133 CD PRO A 8 7.731 2.957 -7.586 1.00 0.00 C ATOM 0 HA PRO A 8 9.700 4.563 -9.635 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.752 4.235 -7.093 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.441 5.364 -7.374 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.324 2.595 -6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.342 3.996 -5.793 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.538 1.893 -7.453 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.788 3.476 -7.416 1.00 0.00 H new ATOM 141 N THR A 9 11.898 3.274 -9.394 1.00 0.00 N ATOM 142 CA THR A 9 13.135 2.521 -9.560 1.00 0.00 C ATOM 143 C THR A 9 13.463 1.798 -8.252 1.00 0.00 C ATOM 144 O THR A 9 13.311 2.382 -7.177 1.00 0.00 O ATOM 145 CB THR A 9 14.255 3.491 -9.993 1.00 0.00 C ATOM 146 OG1 THR A 9 15.505 2.853 -10.160 1.00 0.00 O ATOM 147 CG2 THR A 9 14.455 4.635 -9.007 1.00 0.00 C ATOM 0 H THR A 9 12.053 4.281 -9.445 1.00 0.00 H new ATOM 0 HA THR A 9 13.032 1.763 -10.336 1.00 0.00 H new ATOM 0 HB THR A 9 13.911 3.880 -10.951 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.175 3.513 -10.436 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.254 5.286 -9.362 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.532 5.208 -8.922 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.722 4.231 -8.031 1.00 0.00 H new ATOM 155 N PRO A 10 14.016 0.578 -8.312 1.00 0.00 N ATOM 156 CA PRO A 10 14.354 -0.167 -7.113 1.00 0.00 C ATOM 157 C PRO A 10 15.546 0.434 -6.380 1.00 0.00 C ATOM 158 O PRO A 10 15.677 0.220 -5.180 1.00 0.00 O ATOM 159 CB PRO A 10 14.629 -1.593 -7.588 1.00 0.00 C ATOM 160 CG PRO A 10 15.106 -1.399 -9.024 1.00 0.00 C ATOM 161 CD PRO A 10 14.274 -0.215 -9.500 1.00 0.00 C ATOM 0 HA PRO A 10 13.543 -0.139 -6.385 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.386 -2.082 -6.975 1.00 0.00 H new ATOM 0 HB3 PRO A 10 13.733 -2.212 -7.542 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.174 -1.187 -9.070 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.931 -2.287 -9.632 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.810 0.365 -10.251 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.343 -0.548 -9.960 1.00 0.00 H new ATOM 169 N GLU A 11 16.369 1.218 -7.078 1.00 0.00 N ATOM 170 CA GLU A 11 17.559 1.846 -6.537 1.00 0.00 C ATOM 171 C GLU A 11 17.160 2.761 -5.377 1.00 0.00 C ATOM 172 O GLU A 11 17.526 2.498 -4.238 1.00 0.00 O ATOM 173 CB GLU A 11 18.275 2.580 -7.689 1.00 0.00 C ATOM 174 CG GLU A 11 19.695 2.063 -7.968 1.00 0.00 C ATOM 175 CD GLU A 11 20.823 2.959 -7.453 1.00 0.00 C ATOM 176 OE1 GLU A 11 20.586 4.030 -6.856 1.00 0.00 O ATOM 177 OE2 GLU A 11 21.994 2.647 -7.778 1.00 0.00 O ATOM 0 H GLU A 11 16.215 1.435 -8.063 1.00 0.00 H new ATOM 0 HA GLU A 11 18.259 1.119 -6.126 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.678 2.482 -8.596 1.00 0.00 H new ATOM 0 HB3 GLU A 11 18.325 3.643 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 11 19.801 1.076 -7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 11 19.814 1.937 -9.044 1.00 0.00 H new ATOM 184 N LYS A 12 16.321 3.779 -5.615 1.00 0.00 N ATOM 185 CA LYS A 12 15.886 4.681 -4.545 1.00 0.00 C ATOM 186 C LYS A 12 15.174 3.921 -3.421 1.00 0.00 C ATOM 187 O LYS A 12 15.226 4.340 -2.269 1.00 0.00 O ATOM 188 CB LYS A 12 15.014 5.811 -5.121 1.00 0.00 C ATOM 189 CG LYS A 12 14.698 6.893 -4.066 1.00 0.00 C ATOM 190 CD LYS A 12 14.820 8.319 -4.633 1.00 0.00 C ATOM 191 CE LYS A 12 14.600 9.351 -3.517 1.00 0.00 C ATOM 192 NZ LYS A 12 14.865 10.746 -3.934 1.00 0.00 N ATOM 0 H LYS A 12 15.933 3.996 -6.533 1.00 0.00 H new ATOM 0 HA LYS A 12 16.770 5.135 -4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 12 15.526 6.269 -5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.082 5.392 -5.501 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.688 6.741 -3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.377 6.782 -3.221 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.805 8.458 -5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.087 8.467 -5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.572 9.276 -3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.246 9.104 -2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.696 11.386 -3.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.854 10.834 -4.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.231 11.000 -4.719 1.00 0.00 H new ATOM 206 N LEU A 13 14.507 2.807 -3.725 1.00 0.00 N ATOM 207 CA LEU A 13 13.847 1.998 -2.706 1.00 0.00 C ATOM 208 C LEU A 13 14.871 1.269 -1.845 1.00 0.00 C ATOM 209 O LEU A 13 14.672 1.171 -0.635 1.00 0.00 O ATOM 210 CB LEU A 13 12.864 1.001 -3.332 1.00 0.00 C ATOM 211 CG LEU A 13 11.454 1.567 -3.580 1.00 0.00 C ATOM 212 CD1 LEU A 13 10.711 1.939 -2.294 1.00 0.00 C ATOM 213 CD2 LEU A 13 11.433 2.796 -4.486 1.00 0.00 C ATOM 0 H LEU A 13 14.411 2.445 -4.674 1.00 0.00 H new ATOM 0 HA LEU A 13 13.278 2.674 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.274 0.652 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.783 0.131 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 13 10.947 0.739 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.725 2.331 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.602 1.054 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.277 2.698 -1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.405 3.136 -4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.025 3.591 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.853 2.539 -5.458 1.00 0.00 H new ATOM 225 N LYS A 14 15.969 0.770 -2.414 1.00 0.00 N ATOM 226 CA LYS A 14 17.106 0.301 -1.642 1.00 0.00 C ATOM 227 C LYS A 14 17.599 1.428 -0.744 1.00 0.00 C ATOM 228 O LYS A 14 17.634 1.244 0.474 1.00 0.00 O ATOM 229 CB LYS A 14 18.207 -0.227 -2.574 1.00 0.00 C ATOM 230 CG LYS A 14 18.200 -1.754 -2.603 1.00 0.00 C ATOM 231 CD LYS A 14 16.960 -2.368 -3.261 1.00 0.00 C ATOM 232 CE LYS A 14 17.008 -3.893 -3.137 1.00 0.00 C ATOM 233 NZ LYS A 14 16.767 -4.357 -1.750 1.00 0.00 N ATOM 0 H LYS A 14 16.089 0.682 -3.423 1.00 0.00 H new ATOM 0 HA LYS A 14 16.808 -0.532 -1.006 1.00 0.00 H new ATOM 0 HB2 LYS A 14 18.056 0.162 -3.581 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.180 0.131 -2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.087 -2.099 -3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 14 18.276 -2.125 -1.581 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.057 -1.984 -2.786 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.915 -2.081 -4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.261 -4.332 -3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.981 -4.251 -3.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.591 -5.382 -1.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.602 -4.151 -1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.939 -3.864 -1.358 1.00 0.00 H new ATOM 247 N GLU A 15 17.882 2.594 -1.323 1.00 0.00 N ATOM 248 CA GLU A 15 18.477 3.720 -0.608 1.00 0.00 C ATOM 249 C GLU A 15 17.619 4.139 0.596 1.00 0.00 C ATOM 250 O GLU A 15 18.155 4.402 1.671 1.00 0.00 O ATOM 251 CB GLU A 15 18.692 4.917 -1.543 1.00 0.00 C ATOM 252 CG GLU A 15 19.661 4.683 -2.715 1.00 0.00 C ATOM 253 CD GLU A 15 21.016 4.118 -2.289 1.00 0.00 C ATOM 254 OE1 GLU A 15 21.601 4.661 -1.325 1.00 0.00 O ATOM 255 OE2 GLU A 15 21.522 3.172 -2.929 1.00 0.00 O ATOM 0 H GLU A 15 17.703 2.784 -2.309 1.00 0.00 H new ATOM 0 HA GLU A 15 19.447 3.389 -0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.725 5.216 -1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 15 19.062 5.755 -0.952 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.199 3.998 -3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 15 19.819 5.626 -3.238 1.00 0.00 H new ATOM 262 N LEU A 16 16.290 4.135 0.445 1.00 0.00 N ATOM 263 CA LEU A 16 15.278 4.495 1.450 1.00 0.00 C ATOM 264 C LEU A 16 15.316 3.671 2.740 1.00 0.00 C ATOM 265 O LEU A 16 14.614 4.013 3.695 1.00 0.00 O ATOM 266 CB LEU A 16 13.880 4.326 0.820 1.00 0.00 C ATOM 267 CG LEU A 16 13.066 5.599 0.563 1.00 0.00 C ATOM 268 CD1 LEU A 16 13.832 6.770 -0.044 1.00 0.00 C ATOM 269 CD2 LEU A 16 11.962 5.236 -0.425 1.00 0.00 C ATOM 0 H LEU A 16 15.862 3.863 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 16 15.501 5.523 1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.999 3.804 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.294 3.676 1.470 1.00 0.00 H new ATOM 0 HG LEU A 16 12.721 5.934 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.157 7.614 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.643 7.059 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.244 6.474 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.357 6.118 -0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.408 4.872 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.331 4.458 0.004 1.00 0.00 H new ATOM 281 N SER A 17 16.083 2.582 2.771 1.00 0.00 N ATOM 282 CA SER A 17 16.180 1.663 3.895 1.00 0.00 C ATOM 283 C SER A 17 14.809 1.083 4.275 1.00 0.00 C ATOM 284 O SER A 17 14.468 0.970 5.453 1.00 0.00 O ATOM 285 CB SER A 17 16.946 2.345 5.039 1.00 0.00 C ATOM 286 OG SER A 17 18.295 2.533 4.662 1.00 0.00 O ATOM 0 H SER A 17 16.673 2.309 1.985 1.00 0.00 H new ATOM 0 HA SER A 17 16.761 0.783 3.618 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.487 3.305 5.276 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.892 1.735 5.941 1.00 0.00 H new ATOM 0 HG SER A 17 18.781 2.970 5.392 1.00 0.00 H new ATOM 292 N VAL A 18 14.034 0.687 3.262 1.00 0.00 N ATOM 293 CA VAL A 18 12.743 0.012 3.363 1.00 0.00 C ATOM 294 C VAL A 18 12.857 -1.271 4.187 1.00 0.00 C ATOM 295 O VAL A 18 11.973 -1.561 4.980 1.00 0.00 O ATOM 296 CB VAL A 18 12.186 -0.251 1.948 1.00 0.00 C ATOM 297 CG1 VAL A 18 10.811 -0.911 1.935 1.00 0.00 C ATOM 298 CG2 VAL A 18 12.069 1.043 1.132 1.00 0.00 C ATOM 0 H VAL A 18 14.310 0.840 2.292 1.00 0.00 H new ATOM 0 HA VAL A 18 12.039 0.656 3.890 1.00 0.00 H new ATOM 0 HB VAL A 18 12.911 -0.934 1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.490 -1.062 0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.865 -1.874 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.095 -0.269 2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.673 0.815 0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.397 1.734 1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 18 13.053 1.501 1.032 1.00 0.00 H new ATOM 308 N GLU A 19 13.964 -2.006 4.080 1.00 0.00 N ATOM 309 CA GLU A 19 14.211 -3.211 4.874 1.00 0.00 C ATOM 310 C GLU A 19 14.263 -2.949 6.393 1.00 0.00 C ATOM 311 O GLU A 19 14.201 -3.891 7.187 1.00 0.00 O ATOM 312 CB GLU A 19 15.502 -3.882 4.388 1.00 0.00 C ATOM 313 CG GLU A 19 16.698 -2.922 4.404 1.00 0.00 C ATOM 314 CD GLU A 19 18.011 -3.690 4.369 1.00 0.00 C ATOM 315 OE1 GLU A 19 18.521 -3.976 3.262 1.00 0.00 O ATOM 316 OE2 GLU A 19 18.542 -3.997 5.464 1.00 0.00 O ATOM 0 H GLU A 19 14.721 -1.780 3.435 1.00 0.00 H new ATOM 0 HA GLU A 19 13.362 -3.878 4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.721 -4.743 5.019 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.354 -4.258 3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.642 -2.250 3.547 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.659 -2.301 5.299 1.00 0.00 H new ATOM 323 N LYS A 20 14.361 -1.684 6.812 1.00 0.00 N ATOM 324 CA LYS A 20 14.393 -1.277 8.218 1.00 0.00 C ATOM 325 C LYS A 20 13.006 -0.873 8.715 1.00 0.00 C ATOM 326 O LYS A 20 12.819 -0.668 9.919 1.00 0.00 O ATOM 327 CB LYS A 20 15.402 -0.133 8.406 1.00 0.00 C ATOM 328 CG LYS A 20 16.711 -0.400 7.642 1.00 0.00 C ATOM 329 CD LYS A 20 17.895 0.469 8.079 1.00 0.00 C ATOM 330 CE LYS A 20 18.612 -0.103 9.303 1.00 0.00 C ATOM 331 NZ LYS A 20 19.178 -1.452 9.067 1.00 0.00 N ATOM 0 H LYS A 20 14.422 -0.896 6.167 1.00 0.00 H new ATOM 0 HA LYS A 20 14.712 -2.130 8.817 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.962 0.802 8.059 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.618 -0.009 9.467 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.982 -1.448 7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.534 -0.241 6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 20 18.602 0.557 7.254 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.541 1.475 8.305 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.414 0.575 9.597 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.912 -0.150 10.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 19.940 -1.633 9.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 18.432 -2.167 9.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.560 -1.504 8.101 1.00 0.00 H new ATOM 345 N TRP A 21 12.051 -0.726 7.795 1.00 0.00 N ATOM 346 CA TRP A 21 10.675 -0.377 8.086 1.00 0.00 C ATOM 347 C TRP A 21 10.016 -1.617 8.716 1.00 0.00 C ATOM 348 O TRP A 21 10.547 -2.731 8.615 1.00 0.00 O ATOM 349 CB TRP A 21 9.978 0.098 6.786 1.00 0.00 C ATOM 350 CG TRP A 21 10.591 1.272 6.059 1.00 0.00 C ATOM 351 CD1 TRP A 21 11.700 1.936 6.454 1.00 0.00 C ATOM 352 CD2 TRP A 21 10.147 1.968 4.843 1.00 0.00 C ATOM 353 NE1 TRP A 21 11.992 2.948 5.574 1.00 0.00 N ATOM 354 CE2 TRP A 21 11.066 3.025 4.564 1.00 0.00 C ATOM 355 CE3 TRP A 21 9.059 1.838 3.950 1.00 0.00 C ATOM 356 CZ2 TRP A 21 10.928 3.891 3.469 1.00 0.00 C ATOM 357 CZ3 TRP A 21 8.861 2.757 2.896 1.00 0.00 C ATOM 358 CH2 TRP A 21 9.784 3.796 2.660 1.00 0.00 C ATOM 0 H TRP A 21 12.228 -0.852 6.798 1.00 0.00 H new ATOM 0 HA TRP A 21 10.595 0.451 8.791 1.00 0.00 H new ATOM 0 HB2 TRP A 21 9.942 -0.745 6.096 1.00 0.00 H new ATOM 0 HB3 TRP A 21 8.947 0.354 7.030 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.275 1.703 7.338 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.798 3.567 5.660 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.365 1.020 4.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.692 4.622 3.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.991 2.663 2.263 1.00 0.00 H new ATOM 0 HH2 TRP A 21 9.614 4.510 1.867 1.00 0.00 H new ATOM 369 N PRO A 22 8.863 -1.478 9.380 1.00 0.00 N ATOM 370 CA PRO A 22 8.088 -2.631 9.821 1.00 0.00 C ATOM 371 C PRO A 22 7.529 -3.405 8.615 1.00 0.00 C ATOM 372 O PRO A 22 7.026 -2.815 7.651 1.00 0.00 O ATOM 373 CB PRO A 22 6.983 -2.048 10.705 1.00 0.00 C ATOM 374 CG PRO A 22 6.822 -0.618 10.188 1.00 0.00 C ATOM 375 CD PRO A 22 8.239 -0.231 9.795 1.00 0.00 C ATOM 0 HA PRO A 22 8.688 -3.355 10.372 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.056 -2.614 10.613 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.263 -2.064 11.758 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.141 -0.571 9.338 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.421 0.045 10.955 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.240 0.500 8.986 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.773 0.219 10.632 1.00 0.00 H new ATOM 383 N ILE A 23 7.590 -4.739 8.667 1.00 0.00 N ATOM 384 CA ILE A 23 6.763 -5.583 7.811 1.00 0.00 C ATOM 385 C ILE A 23 5.335 -5.473 8.361 1.00 0.00 C ATOM 386 O ILE A 23 5.112 -5.241 9.555 1.00 0.00 O ATOM 387 CB ILE A 23 7.322 -7.039 7.766 1.00 0.00 C ATOM 388 CG1 ILE A 23 8.695 -7.038 7.043 1.00 0.00 C ATOM 389 CG2 ILE A 23 6.353 -8.049 7.098 1.00 0.00 C ATOM 390 CD1 ILE A 23 9.446 -8.372 6.999 1.00 0.00 C ATOM 0 H ILE A 23 8.206 -5.255 9.295 1.00 0.00 H new ATOM 0 HA ILE A 23 6.770 -5.261 6.770 1.00 0.00 H new ATOM 0 HB ILE A 23 7.439 -7.375 8.796 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.541 -6.700 6.018 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.336 -6.302 7.529 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.804 -9.041 7.100 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.415 -8.075 7.653 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.158 -7.741 6.071 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.389 -8.241 6.468 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.646 -8.711 8.016 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.838 -9.115 6.482 1.00 0.00 H new ATOM 402 N TRP A 24 4.356 -5.666 7.487 1.00 0.00 N ATOM 403 CA TRP A 24 2.992 -5.993 7.839 1.00 0.00 C ATOM 404 C TRP A 24 2.544 -7.066 6.860 1.00 0.00 C ATOM 405 O TRP A 24 3.017 -7.117 5.724 1.00 0.00 O ATOM 406 CB TRP A 24 2.142 -4.728 7.764 1.00 0.00 C ATOM 407 CG TRP A 24 0.665 -4.894 7.896 1.00 0.00 C ATOM 408 CD1 TRP A 24 -0.054 -4.612 9.001 1.00 0.00 C ATOM 409 CD2 TRP A 24 -0.302 -5.250 6.868 1.00 0.00 C ATOM 410 NE1 TRP A 24 -1.398 -4.758 8.727 1.00 0.00 N ATOM 411 CE2 TRP A 24 -1.610 -5.094 7.408 1.00 0.00 C ATOM 412 CE3 TRP A 24 -0.206 -5.639 5.518 1.00 0.00 C ATOM 413 CZ2 TRP A 24 -2.759 -5.225 6.615 1.00 0.00 C ATOM 414 CZ3 TRP A 24 -1.352 -5.718 4.710 1.00 0.00 C ATOM 415 CH2 TRP A 24 -2.622 -5.481 5.246 1.00 0.00 C ATOM 0 H TRP A 24 4.501 -5.595 6.480 1.00 0.00 H new ATOM 0 HA TRP A 24 2.893 -6.372 8.856 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.477 -4.048 8.547 1.00 0.00 H new ATOM 0 HB3 TRP A 24 2.344 -4.241 6.810 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.359 -4.317 9.954 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.141 -4.633 9.414 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.760 -5.879 5.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.740 -5.129 7.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.252 -5.964 3.663 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.492 -5.495 4.607 1.00 0.00 H new ATOM 426 N GLU A 25 1.632 -7.917 7.303 1.00 0.00 N ATOM 427 CA GLU A 25 1.100 -9.026 6.541 1.00 0.00 C ATOM 428 C GLU A 25 -0.323 -9.341 6.982 1.00 0.00 C ATOM 429 O GLU A 25 -0.734 -8.999 8.099 1.00 0.00 O ATOM 430 CB GLU A 25 2.026 -10.239 6.647 1.00 0.00 C ATOM 431 CG GLU A 25 2.548 -10.563 8.051 1.00 0.00 C ATOM 432 CD GLU A 25 2.962 -12.031 8.123 1.00 0.00 C ATOM 433 OE1 GLU A 25 3.988 -12.415 7.515 1.00 0.00 O ATOM 434 OE2 GLU A 25 2.227 -12.833 8.741 1.00 0.00 O ATOM 0 H GLU A 25 1.230 -7.848 8.238 1.00 0.00 H new ATOM 0 HA GLU A 25 1.054 -8.748 5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.494 -11.112 6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.881 -10.077 5.991 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.398 -9.924 8.289 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.776 -10.357 8.793 1.00 0.00 H new ATOM 441 N LYS A 26 -1.088 -9.976 6.097 1.00 0.00 N ATOM 442 CA LYS A 26 -2.526 -10.141 6.218 1.00 0.00 C ATOM 443 C LYS A 26 -2.937 -11.387 5.459 1.00 0.00 C ATOM 444 O LYS A 26 -2.215 -11.839 4.569 1.00 0.00 O ATOM 445 CB LYS A 26 -3.191 -8.921 5.574 1.00 0.00 C ATOM 446 CG LYS A 26 -4.543 -8.473 6.129 1.00 0.00 C ATOM 447 CD LYS A 26 -4.553 -8.148 7.622 1.00 0.00 C ATOM 448 CE LYS A 26 -5.821 -7.542 8.230 1.00 0.00 C ATOM 449 NZ LYS A 26 -6.955 -8.483 8.252 1.00 0.00 N ATOM 0 H LYS A 26 -0.708 -10.401 5.251 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.822 -10.233 7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.501 -8.081 5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.317 -9.130 4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.871 -7.591 5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.275 -9.258 5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.333 -9.068 8.163 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.731 -7.460 7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.608 -7.214 9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.102 -6.656 7.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.651 -8.205 7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.612 -9.444 8.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.403 -8.464 9.190 1.00 0.00 H new ATOM 463 N GLU A 27 -4.128 -11.876 5.768 1.00 0.00 N ATOM 464 CA GLU A 27 -4.737 -12.997 5.104 1.00 0.00 C ATOM 465 C GLU A 27 -5.525 -12.487 3.907 1.00 0.00 C ATOM 466 O GLU A 27 -5.631 -11.284 3.678 1.00 0.00 O ATOM 467 CB GLU A 27 -5.651 -13.664 6.139 1.00 0.00 C ATOM 468 CG GLU A 27 -5.737 -15.178 6.051 1.00 0.00 C ATOM 469 CD GLU A 27 -4.349 -15.820 6.120 1.00 0.00 C ATOM 470 OE1 GLU A 27 -3.745 -15.816 7.219 1.00 0.00 O ATOM 471 OE2 GLU A 27 -3.859 -16.221 5.046 1.00 0.00 O ATOM 0 H GLU A 27 -4.707 -11.486 6.511 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.006 -13.716 4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.301 -13.394 7.135 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.655 -13.253 6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.356 -15.557 6.864 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.226 -15.463 5.119 1.00 0.00 H new ATOM 478 N VAL A 28 -6.172 -13.423 3.228 1.00 0.00 N ATOM 479 CA VAL A 28 -7.008 -13.250 2.025 1.00 0.00 C ATOM 480 C VAL A 28 -8.329 -12.490 2.305 1.00 0.00 C ATOM 481 O VAL A 28 -9.270 -12.459 1.504 1.00 0.00 O ATOM 482 CB VAL A 28 -7.185 -14.653 1.398 1.00 0.00 C ATOM 483 CG1 VAL A 28 -7.959 -15.636 2.293 1.00 0.00 C ATOM 484 CG2 VAL A 28 -7.809 -14.641 -0.001 1.00 0.00 C ATOM 0 H VAL A 28 -6.130 -14.400 3.517 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.519 -12.597 1.302 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.159 -15.008 1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.044 -16.598 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.427 -15.766 3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.955 -15.241 2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.898 -15.663 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.798 -14.185 0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.176 -14.066 -0.677 1.00 0.00 H new ATOM 494 N SER A 29 -8.457 -11.948 3.505 1.00 0.00 N ATOM 495 CA SER A 29 -9.639 -11.319 4.038 1.00 0.00 C ATOM 496 C SER A 29 -9.707 -9.864 3.641 1.00 0.00 C ATOM 497 O SER A 29 -8.794 -9.104 3.961 1.00 0.00 O ATOM 498 CB SER A 29 -9.599 -11.438 5.546 1.00 0.00 C ATOM 499 OG SER A 29 -8.291 -11.187 6.046 1.00 0.00 O ATOM 0 H SER A 29 -7.684 -11.939 4.170 1.00 0.00 H new ATOM 0 HA SER A 29 -10.523 -11.814 3.637 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.302 -10.732 5.988 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.920 -12.436 5.844 1.00 0.00 H new ATOM 0 HG SER A 29 -7.900 -10.423 5.572 1.00 0.00 H new ATOM 505 N GLU A 30 -10.810 -9.483 3.018 1.00 0.00 N ATOM 506 CA GLU A 30 -11.055 -8.087 2.669 1.00 0.00 C ATOM 507 C GLU A 30 -11.540 -7.328 3.897 1.00 0.00 C ATOM 508 O GLU A 30 -12.190 -7.901 4.775 1.00 0.00 O ATOM 509 CB GLU A 30 -12.005 -7.919 1.463 1.00 0.00 C ATOM 510 CG GLU A 30 -13.507 -8.018 1.772 1.00 0.00 C ATOM 511 CD GLU A 30 -14.376 -8.026 0.509 1.00 0.00 C ATOM 512 OE1 GLU A 30 -14.213 -7.195 -0.422 1.00 0.00 O ATOM 513 OE2 GLU A 30 -15.258 -8.906 0.411 1.00 0.00 O ATOM 0 H GLU A 30 -11.555 -10.122 2.741 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.109 -7.656 2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.811 -6.949 1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.756 -8.677 0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.696 -8.927 2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.799 -7.179 2.403 1.00 0.00 H new ATOM 520 N PHE A 31 -11.285 -6.027 3.940 1.00 0.00 N ATOM 521 CA PHE A 31 -11.732 -5.143 5.002 1.00 0.00 C ATOM 522 C PHE A 31 -11.780 -3.721 4.453 1.00 0.00 C ATOM 523 O PHE A 31 -11.667 -3.497 3.248 1.00 0.00 O ATOM 524 CB PHE A 31 -10.831 -5.284 6.243 1.00 0.00 C ATOM 525 CG PHE A 31 -9.347 -5.279 5.972 1.00 0.00 C ATOM 526 CD1 PHE A 31 -8.668 -4.077 5.703 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.653 -6.501 5.954 1.00 0.00 C ATOM 528 CE1 PHE A 31 -7.310 -4.111 5.350 1.00 0.00 C ATOM 529 CE2 PHE A 31 -7.290 -6.524 5.628 1.00 0.00 C ATOM 530 CZ PHE A 31 -6.625 -5.334 5.282 1.00 0.00 C ATOM 0 H PHE A 31 -10.748 -5.548 3.218 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.734 -5.413 5.334 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.060 -4.470 6.931 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.087 -6.213 6.752 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.189 -3.133 5.768 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.169 -7.420 6.191 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.789 -3.191 5.129 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.749 -7.458 5.643 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.593 -5.361 4.966 1.00 0.00 H new ATOM 540 N ASP A 32 -11.986 -2.746 5.325 1.00 0.00 N ATOM 541 CA ASP A 32 -11.921 -1.324 5.086 1.00 0.00 C ATOM 542 C ASP A 32 -10.934 -0.746 6.081 1.00 0.00 C ATOM 543 O ASP A 32 -11.075 -0.961 7.288 1.00 0.00 O ATOM 544 CB ASP A 32 -13.318 -0.692 5.150 1.00 0.00 C ATOM 545 CG ASP A 32 -14.340 -1.436 6.013 1.00 0.00 C ATOM 546 OD1 ASP A 32 -14.242 -1.428 7.259 1.00 0.00 O ATOM 547 OD2 ASP A 32 -15.216 -2.106 5.412 1.00 0.00 O ATOM 0 H ASP A 32 -12.222 -2.953 6.296 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.566 -1.100 4.080 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.220 0.325 5.529 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.711 -0.618 4.136 1.00 0.00 H new ATOM 552 N TRP A 33 -9.882 -0.105 5.558 1.00 0.00 N ATOM 553 CA TRP A 33 -8.857 0.532 6.381 1.00 0.00 C ATOM 554 C TRP A 33 -8.951 2.055 6.292 1.00 0.00 C ATOM 555 O TRP A 33 -9.406 2.607 5.284 1.00 0.00 O ATOM 556 CB TRP A 33 -7.463 0.048 5.959 1.00 0.00 C ATOM 557 CG TRP A 33 -6.395 0.349 6.966 1.00 0.00 C ATOM 558 CD1 TRP A 33 -5.573 1.423 6.962 1.00 0.00 C ATOM 559 CD2 TRP A 33 -6.126 -0.351 8.216 1.00 0.00 C ATOM 560 NE1 TRP A 33 -4.763 1.396 8.081 1.00 0.00 N ATOM 561 CE2 TRP A 33 -5.061 0.319 8.887 1.00 0.00 C ATOM 562 CE3 TRP A 33 -6.721 -1.443 8.884 1.00 0.00 C ATOM 563 CZ2 TRP A 33 -4.564 -0.122 10.119 1.00 0.00 C ATOM 564 CZ3 TRP A 33 -6.247 -1.873 10.137 1.00 0.00 C ATOM 565 CH2 TRP A 33 -5.162 -1.223 10.748 1.00 0.00 C ATOM 0 H TRP A 33 -9.721 -0.016 4.555 1.00 0.00 H new ATOM 0 HA TRP A 33 -9.025 0.248 7.420 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -7.497 -1.028 5.788 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -7.198 0.513 5.010 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -5.553 2.187 6.199 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -4.038 2.084 8.284 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -7.553 -1.957 8.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.727 0.381 10.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -6.720 -2.708 10.632 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.789 -1.571 11.700 1.00 0.00 H new ATOM 576 N TYR A 34 -8.448 2.731 7.326 1.00 0.00 N ATOM 577 CA TYR A 34 -8.348 4.176 7.425 1.00 0.00 C ATOM 578 C TYR A 34 -6.900 4.595 7.654 1.00 0.00 C ATOM 579 O TYR A 34 -6.207 4.036 8.510 1.00 0.00 O ATOM 580 CB TYR A 34 -9.244 4.674 8.559 1.00 0.00 C ATOM 581 CG TYR A 34 -9.141 6.168 8.808 1.00 0.00 C ATOM 582 CD1 TYR A 34 -9.494 7.084 7.801 1.00 0.00 C ATOM 583 CD2 TYR A 34 -8.725 6.649 10.060 1.00 0.00 C ATOM 584 CE1 TYR A 34 -9.457 8.467 8.035 1.00 0.00 C ATOM 585 CE2 TYR A 34 -8.742 8.026 10.327 1.00 0.00 C ATOM 586 CZ TYR A 34 -9.084 8.940 9.310 1.00 0.00 C ATOM 587 OH TYR A 34 -9.071 10.269 9.564 1.00 0.00 O ATOM 0 H TYR A 34 -8.084 2.257 8.153 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.683 4.624 6.489 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.280 4.424 8.328 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.984 4.143 9.475 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.798 6.717 6.832 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.391 5.957 10.819 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.711 9.161 7.248 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.492 8.387 11.314 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.295 10.488 10.122 1.00 0.00 H new ATOM 597 N TYR A 35 -6.462 5.593 6.890 1.00 0.00 N ATOM 598 CA TYR A 35 -5.158 6.224 6.990 1.00 0.00 C ATOM 599 C TYR A 35 -5.377 7.578 7.644 1.00 0.00 C ATOM 600 O TYR A 35 -5.955 8.471 7.022 1.00 0.00 O ATOM 601 CB TYR A 35 -4.521 6.337 5.596 1.00 0.00 C ATOM 602 CG TYR A 35 -4.253 4.972 4.997 1.00 0.00 C ATOM 603 CD1 TYR A 35 -3.155 4.226 5.462 1.00 0.00 C ATOM 604 CD2 TYR A 35 -5.149 4.406 4.068 1.00 0.00 C ATOM 605 CE1 TYR A 35 -2.955 2.911 5.017 1.00 0.00 C ATOM 606 CE2 TYR A 35 -4.944 3.093 3.604 1.00 0.00 C ATOM 607 CZ TYR A 35 -3.845 2.340 4.080 1.00 0.00 C ATOM 608 OH TYR A 35 -3.665 1.054 3.675 1.00 0.00 O ATOM 0 H TYR A 35 -7.037 5.999 6.152 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.464 5.638 7.593 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.181 6.901 4.938 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.587 6.895 5.665 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.463 4.667 6.164 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.992 4.979 3.712 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.121 2.335 5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.625 2.661 2.886 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.353 0.819 3.018 1.00 0.00 H new ATOM 618 N ASP A 36 -4.951 7.714 8.900 1.00 0.00 N ATOM 619 CA ASP A 36 -5.094 8.928 9.710 1.00 0.00 C ATOM 620 C ASP A 36 -3.778 9.720 9.755 1.00 0.00 C ATOM 621 O ASP A 36 -3.670 10.717 10.463 1.00 0.00 O ATOM 622 CB ASP A 36 -5.537 8.577 11.137 1.00 0.00 C ATOM 623 CG ASP A 36 -6.264 9.726 11.856 1.00 0.00 C ATOM 624 OD1 ASP A 36 -6.579 10.779 11.255 1.00 0.00 O ATOM 625 OD2 ASP A 36 -6.605 9.538 13.043 1.00 0.00 O ATOM 0 H ASP A 36 -4.481 6.959 9.399 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.858 9.549 9.243 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.194 7.708 11.101 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.662 8.291 11.720 1.00 0.00 H new ATOM 630 N THR A 37 -2.761 9.266 9.017 1.00 0.00 N ATOM 631 CA THR A 37 -1.493 9.926 8.729 1.00 0.00 C ATOM 632 C THR A 37 -1.021 9.462 7.366 1.00 0.00 C ATOM 633 O THR A 37 -1.556 8.516 6.783 1.00 0.00 O ATOM 634 CB THR A 37 -0.446 9.757 9.852 1.00 0.00 C ATOM 635 OG1 THR A 37 -0.783 8.736 10.766 1.00 0.00 O ATOM 636 CG2 THR A 37 -0.346 11.077 10.613 1.00 0.00 C ATOM 0 H THR A 37 -2.812 8.350 8.570 1.00 0.00 H new ATOM 0 HA THR A 37 -1.642 11.005 8.698 1.00 0.00 H new ATOM 0 HB THR A 37 0.500 9.479 9.386 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.088 8.670 11.454 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.389 10.981 11.412 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.038 11.868 9.930 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.317 11.325 11.041 1.00 0.00 H new ATOM 644 N ASN A 38 -0.070 10.215 6.824 1.00 0.00 N ATOM 645 CA ASN A 38 0.564 9.872 5.573 1.00 0.00 C ATOM 646 C ASN A 38 1.339 8.604 5.863 1.00 0.00 C ATOM 647 O ASN A 38 1.926 8.436 6.938 1.00 0.00 O ATOM 648 CB ASN A 38 1.533 10.952 5.082 1.00 0.00 C ATOM 649 CG ASN A 38 1.153 12.352 5.515 1.00 0.00 C ATOM 650 OD1 ASN A 38 0.305 13.020 4.920 1.00 0.00 O ATOM 651 ND2 ASN A 38 1.710 12.774 6.637 1.00 0.00 N ATOM 0 H ASN A 38 0.277 11.077 7.245 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.185 9.760 4.789 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.533 10.726 5.452 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.580 10.918 3.994 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.441 13.675 7.033 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.409 12.199 7.107 1.00 0.00 H new ATOM 658 N GLU A 39 1.341 7.712 4.897 1.00 0.00 N ATOM 659 CA GLU A 39 1.974 6.427 5.036 1.00 0.00 C ATOM 660 C GLU A 39 2.478 6.089 3.650 1.00 0.00 C ATOM 661 O GLU A 39 1.747 6.306 2.676 1.00 0.00 O ATOM 662 CB GLU A 39 0.922 5.441 5.557 1.00 0.00 C ATOM 663 CG GLU A 39 1.527 4.124 6.049 1.00 0.00 C ATOM 664 CD GLU A 39 0.461 3.219 6.679 1.00 0.00 C ATOM 665 OE1 GLU A 39 -0.264 3.648 7.604 1.00 0.00 O ATOM 666 OE2 GLU A 39 0.340 2.062 6.227 1.00 0.00 O ATOM 0 H GLU A 39 0.900 7.862 3.990 1.00 0.00 H new ATOM 0 HA GLU A 39 2.805 6.399 5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.368 5.907 6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.205 5.231 4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.000 3.605 5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.308 4.332 6.780 1.00 0.00 H new ATOM 673 N THR A 40 3.691 5.571 3.547 1.00 0.00 N ATOM 674 CA THR A 40 4.280 5.087 2.313 1.00 0.00 C ATOM 675 C THR A 40 4.469 3.593 2.498 1.00 0.00 C ATOM 676 O THR A 40 5.161 3.179 3.428 1.00 0.00 O ATOM 677 CB THR A 40 5.588 5.842 2.023 1.00 0.00 C ATOM 678 OG1 THR A 40 5.266 7.198 1.818 1.00 0.00 O ATOM 679 CG2 THR A 40 6.267 5.349 0.750 1.00 0.00 C ATOM 0 H THR A 40 4.313 5.473 4.350 1.00 0.00 H new ATOM 0 HA THR A 40 3.648 5.265 1.443 1.00 0.00 H new ATOM 0 HB THR A 40 6.262 5.684 2.865 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.242 7.663 2.681 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.186 5.912 0.587 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.503 4.290 0.850 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.598 5.493 -0.098 1.00 0.00 H new ATOM 687 N CYS A 41 3.864 2.775 1.638 1.00 0.00 N ATOM 688 CA CYS A 41 4.081 1.339 1.646 1.00 0.00 C ATOM 689 C CYS A 41 4.603 0.901 0.288 1.00 0.00 C ATOM 690 O CYS A 41 4.211 1.433 -0.755 1.00 0.00 O ATOM 691 CB CYS A 41 2.815 0.573 2.050 1.00 0.00 C ATOM 692 SG CYS A 41 1.441 1.154 1.023 1.00 0.00 S ATOM 0 H CYS A 41 3.213 3.093 0.920 1.00 0.00 H new ATOM 0 HA CYS A 41 4.830 1.100 2.401 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.962 -0.499 1.916 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.594 0.735 3.105 1.00 0.00 H new ATOM 0 HG CYS A 41 0.356 0.515 1.348 1.00 0.00 H new ATOM 698 N TYR A 42 5.477 -0.095 0.337 1.00 0.00 N ATOM 699 CA TYR A 42 6.209 -0.671 -0.761 1.00 0.00 C ATOM 700 C TYR A 42 5.856 -2.155 -0.804 1.00 0.00 C ATOM 701 O TYR A 42 6.195 -2.905 0.119 1.00 0.00 O ATOM 702 CB TYR A 42 7.708 -0.416 -0.560 1.00 0.00 C ATOM 703 CG TYR A 42 8.496 -0.984 -1.712 1.00 0.00 C ATOM 704 CD1 TYR A 42 8.428 -0.346 -2.959 1.00 0.00 C ATOM 705 CD2 TYR A 42 9.134 -2.228 -1.591 1.00 0.00 C ATOM 706 CE1 TYR A 42 8.929 -0.978 -4.104 1.00 0.00 C ATOM 707 CE2 TYR A 42 9.590 -2.889 -2.744 1.00 0.00 C ATOM 708 CZ TYR A 42 9.406 -2.301 -4.009 1.00 0.00 C ATOM 709 OH TYR A 42 9.663 -3.015 -5.139 1.00 0.00 O ATOM 0 H TYR A 42 5.704 -0.551 1.221 1.00 0.00 H new ATOM 0 HA TYR A 42 5.946 -0.222 -1.719 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.893 0.655 -0.477 1.00 0.00 H new ATOM 0 HB3 TYR A 42 8.039 -0.870 0.374 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.987 0.637 -3.037 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.274 -2.675 -0.618 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.950 -0.457 -5.050 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.081 -3.847 -2.659 1.00 0.00 H new ATOM 0 HH TYR A 42 9.986 -3.908 -4.896 1.00 0.00 H new ATOM 719 N ILE A 43 5.093 -2.544 -1.824 1.00 0.00 N ATOM 720 CA ILE A 43 4.725 -3.920 -2.107 1.00 0.00 C ATOM 721 C ILE A 43 5.984 -4.658 -2.568 1.00 0.00 C ATOM 722 O ILE A 43 6.732 -4.144 -3.397 1.00 0.00 O ATOM 723 CB ILE A 43 3.642 -4.011 -3.203 1.00 0.00 C ATOM 724 CG1 ILE A 43 2.382 -3.099 -3.112 1.00 0.00 C ATOM 725 CG2 ILE A 43 3.181 -5.479 -3.246 1.00 0.00 C ATOM 726 CD1 ILE A 43 1.305 -3.570 -2.136 1.00 0.00 C ATOM 0 H ILE A 43 4.703 -1.883 -2.496 1.00 0.00 H new ATOM 0 HA ILE A 43 4.311 -4.369 -1.204 1.00 0.00 H new ATOM 0 HB ILE A 43 4.135 -3.636 -4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.699 -2.097 -2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.939 -3.018 -4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.412 -5.597 -4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.030 -6.120 -3.485 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.775 -5.761 -2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.472 -2.868 -2.147 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.951 -4.557 -2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.723 -3.622 -1.131 1.00 0.00 H new ATOM 738 N LEU A 44 6.175 -5.897 -2.103 1.00 0.00 N ATOM 739 CA LEU A 44 7.295 -6.736 -2.523 1.00 0.00 C ATOM 740 C LEU A 44 6.798 -8.077 -3.061 1.00 0.00 C ATOM 741 O LEU A 44 7.376 -8.603 -4.011 1.00 0.00 O ATOM 742 CB LEU A 44 8.273 -6.945 -1.358 1.00 0.00 C ATOM 743 CG LEU A 44 8.778 -5.647 -0.704 1.00 0.00 C ATOM 744 CD1 LEU A 44 8.220 -5.487 0.705 1.00 0.00 C ATOM 745 CD2 LEU A 44 10.303 -5.614 -0.648 1.00 0.00 C ATOM 0 H LEU A 44 5.557 -6.343 -1.426 1.00 0.00 H new ATOM 0 HA LEU A 44 7.823 -6.226 -3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.786 -7.554 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.131 -7.512 -1.719 1.00 0.00 H new ATOM 0 HG LEU A 44 8.427 -4.821 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.594 -4.561 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.131 -5.455 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.535 -6.331 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.630 -4.685 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.664 -6.461 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.706 -5.673 -1.659 1.00 0.00 H new ATOM 757 N GLU A 45 5.686 -8.600 -2.537 1.00 0.00 N ATOM 758 CA GLU A 45 4.977 -9.735 -3.111 1.00 0.00 C ATOM 759 C GLU A 45 3.470 -9.471 -3.029 1.00 0.00 C ATOM 760 O GLU A 45 3.047 -8.492 -2.407 1.00 0.00 O ATOM 761 CB GLU A 45 5.443 -11.041 -2.442 1.00 0.00 C ATOM 762 CG GLU A 45 5.358 -11.133 -0.909 1.00 0.00 C ATOM 763 CD GLU A 45 6.091 -12.362 -0.328 1.00 0.00 C ATOM 764 OE1 GLU A 45 7.019 -12.935 -0.953 1.00 0.00 O ATOM 765 OE2 GLU A 45 5.784 -12.740 0.826 1.00 0.00 O ATOM 0 H GLU A 45 5.251 -8.237 -1.689 1.00 0.00 H new ATOM 0 HA GLU A 45 5.210 -9.859 -4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.856 -11.859 -2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.480 -11.213 -2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.781 -10.227 -0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.310 -11.170 -0.612 1.00 0.00 H new ATOM 772 N GLY A 46 2.645 -10.314 -3.652 1.00 0.00 N ATOM 773 CA GLY A 46 1.207 -10.319 -3.414 1.00 0.00 C ATOM 774 C GLY A 46 0.340 -9.597 -4.445 1.00 0.00 C ATOM 775 O GLY A 46 0.852 -9.013 -5.404 1.00 0.00 O ATOM 0 H GLY A 46 2.956 -11.008 -4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.875 -11.356 -3.356 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.022 -9.870 -2.438 1.00 0.00 H new ATOM 779 N LYS A 47 -0.982 -9.596 -4.226 1.00 0.00 N ATOM 780 CA LYS A 47 -1.998 -8.847 -4.929 1.00 0.00 C ATOM 781 C LYS A 47 -3.057 -8.309 -3.973 1.00 0.00 C ATOM 782 O LYS A 47 -3.468 -8.907 -2.978 1.00 0.00 O ATOM 783 CB LYS A 47 -2.707 -9.730 -5.957 1.00 0.00 C ATOM 784 CG LYS A 47 -2.346 -9.356 -7.402 1.00 0.00 C ATOM 785 CD LYS A 47 -2.868 -7.979 -7.851 1.00 0.00 C ATOM 786 CE LYS A 47 -4.388 -7.931 -7.980 1.00 0.00 C ATOM 787 NZ LYS A 47 -4.811 -8.614 -9.220 1.00 0.00 N ATOM 0 H LYS A 47 -1.388 -10.172 -3.488 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.490 -8.018 -5.422 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.444 -10.773 -5.778 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.785 -9.645 -5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.261 -9.372 -7.509 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.744 -10.118 -8.072 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.546 -7.223 -7.135 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.419 -7.721 -8.810 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.850 -8.409 -7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.728 -6.895 -7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.842 -8.533 -9.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.343 -8.172 -10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.546 -9.618 -9.171 1.00 0.00 H new ATOM 801 N VAL A 48 -3.601 -7.198 -4.423 1.00 0.00 N ATOM 802 CA VAL A 48 -4.552 -6.271 -3.869 1.00 0.00 C ATOM 803 C VAL A 48 -5.455 -5.655 -4.904 1.00 0.00 C ATOM 804 O VAL A 48 -5.053 -5.457 -6.045 1.00 0.00 O ATOM 805 CB VAL A 48 -3.885 -5.397 -2.778 1.00 0.00 C ATOM 806 CG1 VAL A 48 -2.432 -5.047 -3.004 1.00 0.00 C ATOM 807 CG2 VAL A 48 -4.804 -4.271 -2.259 1.00 0.00 C ATOM 0 H VAL A 48 -3.331 -6.877 -5.353 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.321 -6.786 -3.293 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.777 -6.057 -1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.073 -4.434 -2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.842 -5.962 -3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.332 -4.493 -3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.279 -3.695 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.078 -3.615 -3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.705 -4.707 -1.827 1.00 0.00 H new ATOM 817 N GLU A 49 -6.693 -5.381 -4.495 1.00 0.00 N ATOM 818 CA GLU A 49 -7.438 -4.243 -4.965 1.00 0.00 C ATOM 819 C GLU A 49 -7.811 -3.332 -3.791 1.00 0.00 C ATOM 820 O GLU A 49 -8.068 -3.789 -2.681 1.00 0.00 O ATOM 821 CB GLU A 49 -8.732 -4.685 -5.681 1.00 0.00 C ATOM 822 CG GLU A 49 -8.560 -4.887 -7.188 1.00 0.00 C ATOM 823 CD GLU A 49 -9.870 -5.221 -7.913 1.00 0.00 C ATOM 824 OE1 GLU A 49 -10.469 -6.298 -7.692 1.00 0.00 O ATOM 825 OE2 GLU A 49 -10.303 -4.417 -8.772 1.00 0.00 O ATOM 0 H GLU A 49 -7.200 -5.956 -3.822 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.806 -3.702 -5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.084 -5.616 -5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.506 -3.937 -5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.134 -3.982 -7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.844 -5.690 -7.360 1.00 0.00 H new ATOM 832 N VAL A 50 -7.926 -2.034 -4.042 1.00 0.00 N ATOM 833 CA VAL A 50 -8.447 -1.023 -3.133 1.00 0.00 C ATOM 834 C VAL A 50 -9.524 -0.306 -3.926 1.00 0.00 C ATOM 835 O VAL A 50 -9.212 0.486 -4.814 1.00 0.00 O ATOM 836 CB VAL A 50 -7.288 -0.129 -2.631 1.00 0.00 C ATOM 837 CG1 VAL A 50 -7.706 1.196 -1.976 1.00 0.00 C ATOM 838 CG2 VAL A 50 -6.459 -0.932 -1.624 1.00 0.00 C ATOM 0 H VAL A 50 -7.641 -1.637 -4.937 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.889 -1.419 -2.218 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.725 0.152 -3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.817 1.743 -1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.266 1.796 -2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.332 0.991 -1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.636 -0.318 -1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.091 -1.228 -0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.059 -1.822 -2.110 1.00 0.00 H new ATOM 848 N THR A 51 -10.786 -0.645 -3.672 1.00 0.00 N ATOM 849 CA THR A 51 -11.911 0.147 -4.137 1.00 0.00 C ATOM 850 C THR A 51 -12.026 1.323 -3.168 1.00 0.00 C ATOM 851 O THR A 51 -12.332 1.121 -1.986 1.00 0.00 O ATOM 852 CB THR A 51 -13.185 -0.715 -4.213 1.00 0.00 C ATOM 853 OG1 THR A 51 -12.957 -1.810 -5.088 1.00 0.00 O ATOM 854 CG2 THR A 51 -14.399 0.066 -4.724 1.00 0.00 C ATOM 0 H THR A 51 -11.052 -1.474 -3.140 1.00 0.00 H new ATOM 0 HA THR A 51 -11.768 0.523 -5.150 1.00 0.00 H new ATOM 0 HB THR A 51 -13.404 -1.051 -3.200 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.765 -2.362 -5.138 1.00 0.00 H new ATOM 0 HG21 THR A 51 -15.267 -0.592 -4.757 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.602 0.902 -4.055 1.00 0.00 H new ATOM 0 HG23 THR A 51 -14.193 0.445 -5.725 1.00 0.00 H new ATOM 862 N THR A 52 -11.764 2.544 -3.624 1.00 0.00 N ATOM 863 CA THR A 52 -12.150 3.728 -2.876 1.00 0.00 C ATOM 864 C THR A 52 -13.662 3.908 -2.988 1.00 0.00 C ATOM 865 O THR A 52 -14.314 3.303 -3.844 1.00 0.00 O ATOM 866 CB THR A 52 -11.341 4.961 -3.320 1.00 0.00 C ATOM 867 OG1 THR A 52 -11.705 5.428 -4.602 1.00 0.00 O ATOM 868 CG2 THR A 52 -9.832 4.680 -3.338 1.00 0.00 C ATOM 0 H THR A 52 -11.287 2.736 -4.505 1.00 0.00 H new ATOM 0 HA THR A 52 -11.910 3.603 -1.820 1.00 0.00 H new ATOM 0 HB THR A 52 -11.575 5.726 -2.580 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.162 6.211 -4.831 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.299 5.576 -3.657 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.502 4.398 -2.338 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.622 3.866 -4.032 1.00 0.00 H new ATOM 876 N GLU A 53 -14.248 4.695 -2.084 1.00 0.00 N ATOM 877 CA GLU A 53 -15.694 4.856 -2.043 1.00 0.00 C ATOM 878 C GLU A 53 -16.236 5.335 -3.393 1.00 0.00 C ATOM 879 O GLU A 53 -17.309 4.907 -3.821 1.00 0.00 O ATOM 880 CB GLU A 53 -16.167 5.813 -0.939 1.00 0.00 C ATOM 881 CG GLU A 53 -15.554 7.226 -0.914 1.00 0.00 C ATOM 882 CD GLU A 53 -16.301 8.237 -0.028 1.00 0.00 C ATOM 883 OE1 GLU A 53 -17.315 7.894 0.623 1.00 0.00 O ATOM 884 OE2 GLU A 53 -15.954 9.439 -0.115 1.00 0.00 O ATOM 0 H GLU A 53 -13.742 5.227 -1.375 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.091 3.867 -1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -17.249 5.917 -1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.967 5.342 0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.523 7.153 -0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.522 7.611 -1.933 1.00 0.00 H new ATOM 891 N ASP A 54 -15.460 6.185 -4.073 1.00 0.00 N ATOM 892 CA ASP A 54 -15.808 6.854 -5.321 1.00 0.00 C ATOM 893 C ASP A 54 -15.901 5.902 -6.518 1.00 0.00 C ATOM 894 O ASP A 54 -16.238 6.321 -7.628 1.00 0.00 O ATOM 895 CB ASP A 54 -14.769 7.946 -5.589 1.00 0.00 C ATOM 896 CG ASP A 54 -15.284 8.994 -6.570 1.00 0.00 C ATOM 897 OD1 ASP A 54 -16.367 9.569 -6.319 1.00 0.00 O ATOM 898 OD2 ASP A 54 -14.576 9.328 -7.540 1.00 0.00 O ATOM 0 H ASP A 54 -14.526 6.435 -3.748 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.804 7.281 -5.204 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.500 8.429 -4.650 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.861 7.493 -5.986 1.00 0.00 H new ATOM 903 N GLY A 55 -15.624 4.616 -6.293 1.00 0.00 N ATOM 904 CA GLY A 55 -15.796 3.530 -7.244 1.00 0.00 C ATOM 905 C GLY A 55 -14.488 3.109 -7.886 1.00 0.00 C ATOM 906 O GLY A 55 -14.441 2.036 -8.491 1.00 0.00 O ATOM 0 H GLY A 55 -15.256 4.294 -5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.240 2.674 -6.737 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.496 3.839 -8.021 1.00 0.00 H new ATOM 910 N LYS A 56 -13.426 3.906 -7.763 1.00 0.00 N ATOM 911 CA LYS A 56 -12.162 3.571 -8.394 1.00 0.00 C ATOM 912 C LYS A 56 -11.529 2.405 -7.678 1.00 0.00 C ATOM 913 O LYS A 56 -11.347 2.437 -6.461 1.00 0.00 O ATOM 914 CB LYS A 56 -11.222 4.773 -8.476 1.00 0.00 C ATOM 915 CG LYS A 56 -11.837 5.804 -9.423 1.00 0.00 C ATOM 916 CD LYS A 56 -10.808 6.516 -10.294 1.00 0.00 C ATOM 917 CE LYS A 56 -11.577 7.229 -11.406 1.00 0.00 C ATOM 918 NZ LYS A 56 -10.705 8.107 -12.204 1.00 0.00 N ATOM 0 H LYS A 56 -13.421 4.779 -7.236 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.360 3.277 -9.425 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.075 5.207 -7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.241 4.463 -8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.565 5.308 -10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.381 6.545 -8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.232 7.230 -9.705 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.098 5.803 -10.713 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.041 6.489 -12.058 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.383 7.819 -10.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.266 8.571 -12.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.282 8.830 -11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.950 7.541 -12.643 1.00 0.00 H new ATOM 932 N LYS A 57 -11.257 1.345 -8.429 1.00 0.00 N ATOM 933 CA LYS A 57 -10.444 0.245 -7.991 1.00 0.00 C ATOM 934 C LYS A 57 -8.998 0.621 -8.277 1.00 0.00 C ATOM 935 O LYS A 57 -8.706 1.252 -9.291 1.00 0.00 O ATOM 936 CB LYS A 57 -10.893 -1.051 -8.675 1.00 0.00 C ATOM 937 CG LYS A 57 -10.912 -1.032 -10.209 1.00 0.00 C ATOM 938 CD LYS A 57 -12.252 -0.621 -10.853 1.00 0.00 C ATOM 939 CE LYS A 57 -13.300 -1.739 -10.852 1.00 0.00 C ATOM 940 NZ LYS A 57 -12.912 -2.892 -11.689 1.00 0.00 N ATOM 0 H LYS A 57 -11.609 1.235 -9.380 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.548 0.055 -6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.235 -1.857 -8.350 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.895 -1.296 -8.322 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.138 -0.348 -10.556 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.645 -2.025 -10.570 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.652 0.242 -10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.070 -0.305 -11.880 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.462 -2.078 -9.829 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.249 -1.340 -11.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.740 -3.503 -11.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.556 -2.552 -12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.167 -3.435 -11.208 1.00 0.00 H new ATOM 954 N TYR A 58 -8.086 0.160 -7.437 1.00 0.00 N ATOM 955 CA TYR A 58 -6.656 0.246 -7.645 1.00 0.00 C ATOM 956 C TYR A 58 -6.116 -1.144 -7.357 1.00 0.00 C ATOM 957 O TYR A 58 -6.152 -1.585 -6.210 1.00 0.00 O ATOM 958 CB TYR A 58 -6.060 1.321 -6.733 1.00 0.00 C ATOM 959 CG TYR A 58 -6.567 2.721 -7.035 1.00 0.00 C ATOM 960 CD1 TYR A 58 -6.164 3.371 -8.216 1.00 0.00 C ATOM 961 CD2 TYR A 58 -7.501 3.343 -6.182 1.00 0.00 C ATOM 962 CE1 TYR A 58 -6.701 4.625 -8.550 1.00 0.00 C ATOM 963 CE2 TYR A 58 -8.017 4.614 -6.500 1.00 0.00 C ATOM 964 CZ TYR A 58 -7.616 5.262 -7.687 1.00 0.00 C ATOM 965 OH TYR A 58 -8.113 6.486 -8.019 1.00 0.00 O ATOM 0 H TYR A 58 -8.333 -0.300 -6.561 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.391 0.543 -8.660 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.291 1.075 -5.696 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -4.974 1.307 -6.830 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.440 2.904 -8.867 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.822 2.843 -5.281 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.411 5.104 -9.473 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.720 5.093 -5.835 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.731 6.788 -7.321 1.00 0.00 H new ATOM 975 N VAL A 59 -5.744 -1.874 -8.403 1.00 0.00 N ATOM 976 CA VAL A 59 -5.053 -3.155 -8.321 1.00 0.00 C ATOM 977 C VAL A 59 -3.625 -2.812 -7.944 1.00 0.00 C ATOM 978 O VAL A 59 -3.010 -2.063 -8.697 1.00 0.00 O ATOM 979 CB VAL A 59 -5.182 -3.857 -9.690 1.00 0.00 C ATOM 980 CG1 VAL A 59 -4.377 -5.155 -9.819 1.00 0.00 C ATOM 981 CG2 VAL A 59 -6.641 -4.186 -10.056 1.00 0.00 C ATOM 0 H VAL A 59 -5.921 -1.580 -9.363 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.461 -3.846 -7.583 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.769 -3.119 -10.378 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.527 -5.579 -10.812 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.318 -4.943 -9.671 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.713 -5.868 -9.066 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.670 -4.678 -11.028 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.065 -4.848 -9.301 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.222 -3.265 -10.098 1.00 0.00 H new ATOM 991 N ILE A 60 -3.140 -3.259 -6.783 1.00 0.00 N ATOM 992 CA ILE A 60 -1.771 -3.067 -6.365 1.00 0.00 C ATOM 993 C ILE A 60 -1.028 -4.383 -6.411 1.00 0.00 C ATOM 994 O ILE A 60 -1.601 -5.420 -6.075 1.00 0.00 O ATOM 995 CB ILE A 60 -1.767 -2.349 -5.014 1.00 0.00 C ATOM 996 CG1 ILE A 60 -3.045 -2.402 -4.163 1.00 0.00 C ATOM 997 CG2 ILE A 60 -1.160 -0.996 -4.928 1.00 0.00 C ATOM 998 CD1 ILE A 60 -3.797 -1.081 -4.047 1.00 0.00 C ATOM 0 H ILE A 60 -3.705 -3.771 -6.105 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.221 -2.420 -7.048 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.051 -3.033 -4.558 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.716 -3.149 -4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.783 -2.743 -3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.238 -0.627 -3.905 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.110 -1.049 -5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.686 -0.318 -5.600 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.683 -1.220 -3.428 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.149 -0.332 -3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.097 -0.745 -5.039 1.00 0.00 H new ATOM 1010 N GLU A 61 0.228 -4.368 -6.837 1.00 0.00 N ATOM 1011 CA GLU A 61 1.066 -5.526 -6.740 1.00 0.00 C ATOM 1012 C GLU A 61 2.533 -5.171 -6.464 1.00 0.00 C ATOM 1013 O GLU A 61 2.897 -4.017 -6.253 1.00 0.00 O ATOM 1014 CB GLU A 61 0.940 -6.329 -8.039 1.00 0.00 C ATOM 1015 CG GLU A 61 1.697 -5.716 -9.234 1.00 0.00 C ATOM 1016 CD GLU A 61 1.868 -6.757 -10.326 1.00 0.00 C ATOM 1017 OE1 GLU A 61 0.878 -7.114 -11.001 1.00 0.00 O ATOM 1018 OE2 GLU A 61 2.986 -7.308 -10.457 1.00 0.00 O ATOM 0 H GLU A 61 0.679 -3.554 -7.254 1.00 0.00 H new ATOM 0 HA GLU A 61 0.732 -6.122 -5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.312 -7.339 -7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.115 -6.418 -8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.149 -4.857 -9.621 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.672 -5.352 -8.910 1.00 0.00 H new ATOM 1025 N LYS A 62 3.375 -6.209 -6.455 1.00 0.00 N ATOM 1026 CA LYS A 62 4.828 -6.254 -6.280 1.00 0.00 C ATOM 1027 C LYS A 62 5.579 -5.407 -7.318 1.00 0.00 C ATOM 1028 O LYS A 62 6.316 -5.934 -8.154 1.00 0.00 O ATOM 1029 CB LYS A 62 5.208 -7.747 -6.297 1.00 0.00 C ATOM 1030 CG LYS A 62 5.030 -8.454 -7.658 1.00 0.00 C ATOM 1031 CD LYS A 62 4.348 -9.832 -7.625 1.00 0.00 C ATOM 1032 CE LYS A 62 4.494 -10.512 -9.000 1.00 0.00 C ATOM 1033 NZ LYS A 62 3.609 -9.942 -10.044 1.00 0.00 N ATOM 0 H LYS A 62 3.008 -7.151 -6.586 1.00 0.00 H new ATOM 0 HA LYS A 62 5.129 -5.801 -5.335 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.249 -7.844 -5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.605 -8.268 -5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.450 -7.801 -8.310 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.013 -8.569 -8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.798 -10.454 -6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.293 -9.721 -7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.530 -10.428 -9.329 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.278 -11.575 -8.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.939 -10.245 -10.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.636 -10.277 -9.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.630 -8.904 -9.988 1.00 0.00 H new ATOM 1047 N GLY A 63 5.389 -4.097 -7.274 1.00 0.00 N ATOM 1048 CA GLY A 63 5.639 -3.255 -8.437 1.00 0.00 C ATOM 1049 C GLY A 63 4.889 -1.920 -8.462 1.00 0.00 C ATOM 1050 O GLY A 63 5.055 -1.196 -9.446 1.00 0.00 O ATOM 0 H GLY A 63 5.063 -3.594 -6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.708 -3.051 -8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.375 -3.816 -9.333 1.00 0.00 H new ATOM 1054 N ASP A 64 4.102 -1.576 -7.437 1.00 0.00 N ATOM 1055 CA ASP A 64 3.358 -0.321 -7.280 1.00 0.00 C ATOM 1056 C ASP A 64 3.687 0.233 -5.887 1.00 0.00 C ATOM 1057 O ASP A 64 3.311 -0.386 -4.888 1.00 0.00 O ATOM 1058 CB ASP A 64 1.843 -0.611 -7.283 1.00 0.00 C ATOM 1059 CG ASP A 64 1.202 -1.023 -8.606 1.00 0.00 C ATOM 1060 OD1 ASP A 64 1.042 -0.142 -9.484 1.00 0.00 O ATOM 1061 OD2 ASP A 64 0.690 -2.166 -8.694 1.00 0.00 O ATOM 0 H ASP A 64 3.959 -2.204 -6.647 1.00 0.00 H new ATOM 0 HA ASP A 64 3.621 0.366 -8.084 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.651 -1.401 -6.557 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.330 0.282 -6.925 1.00 0.00 H new ATOM 1066 N LEU A 65 4.427 1.339 -5.753 1.00 0.00 N ATOM 1067 CA LEU A 65 4.564 2.070 -4.493 1.00 0.00 C ATOM 1068 C LEU A 65 3.257 2.836 -4.263 1.00 0.00 C ATOM 1069 O LEU A 65 2.713 3.379 -5.225 1.00 0.00 O ATOM 1070 CB LEU A 65 5.742 3.050 -4.618 1.00 0.00 C ATOM 1071 CG LEU A 65 5.974 3.893 -3.351 1.00 0.00 C ATOM 1072 CD1 LEU A 65 6.601 3.055 -2.232 1.00 0.00 C ATOM 1073 CD2 LEU A 65 6.897 5.070 -3.659 1.00 0.00 C ATOM 0 H LEU A 65 4.951 1.754 -6.524 1.00 0.00 H new ATOM 0 HA LEU A 65 4.754 1.397 -3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.649 2.489 -4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.562 3.717 -5.461 1.00 0.00 H new ATOM 0 HG LEU A 65 5.002 4.258 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.752 3.679 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.937 2.228 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.561 2.661 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.052 5.657 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.856 4.696 -4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.443 5.698 -4.425 1.00 0.00 H new ATOM 1085 N VAL A 66 2.777 2.958 -3.021 1.00 0.00 N ATOM 1086 CA VAL A 66 1.587 3.754 -2.714 1.00 0.00 C ATOM 1087 C VAL A 66 1.858 4.634 -1.506 1.00 0.00 C ATOM 1088 O VAL A 66 2.267 4.146 -0.448 1.00 0.00 O ATOM 1089 CB VAL A 66 0.356 2.844 -2.499 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.922 3.680 -2.323 1.00 0.00 C ATOM 1091 CG2 VAL A 66 0.148 1.844 -3.649 1.00 0.00 C ATOM 0 H VAL A 66 3.199 2.511 -2.207 1.00 0.00 H new ATOM 0 HA VAL A 66 1.359 4.401 -3.561 1.00 0.00 H new ATOM 0 HB VAL A 66 0.556 2.276 -1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.773 3.016 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.814 4.332 -1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.086 4.285 -3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.730 1.232 -3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.001 2.388 -4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.025 1.203 -3.737 1.00 0.00 H new ATOM 1101 N THR A 67 1.574 5.929 -1.650 1.00 0.00 N ATOM 1102 CA THR A 67 1.377 6.809 -0.522 1.00 0.00 C ATOM 1103 C THR A 67 -0.140 6.943 -0.331 1.00 0.00 C ATOM 1104 O THR A 67 -0.876 7.066 -1.317 1.00 0.00 O ATOM 1105 CB THR A 67 2.020 8.167 -0.815 1.00 0.00 C ATOM 1106 OG1 THR A 67 3.256 8.067 -1.492 1.00 0.00 O ATOM 1107 CG2 THR A 67 2.263 8.963 0.470 1.00 0.00 C ATOM 0 H THR A 67 1.476 6.387 -2.556 1.00 0.00 H new ATOM 0 HA THR A 67 1.839 6.419 0.385 1.00 0.00 H new ATOM 0 HB THR A 67 1.304 8.678 -1.459 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.615 8.965 -1.652 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.720 9.921 0.223 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.313 9.134 0.977 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.928 8.401 1.126 1.00 0.00 H new ATOM 1115 N PHE A 68 -0.617 6.956 0.912 1.00 0.00 N ATOM 1116 CA PHE A 68 -1.964 7.418 1.245 1.00 0.00 C ATOM 1117 C PHE A 68 -1.838 8.802 1.887 1.00 0.00 C ATOM 1118 O PHE A 68 -0.758 9.153 2.376 1.00 0.00 O ATOM 1119 CB PHE A 68 -2.672 6.398 2.149 1.00 0.00 C ATOM 1120 CG PHE A 68 -2.981 5.095 1.436 1.00 0.00 C ATOM 1121 CD1 PHE A 68 -3.946 5.051 0.412 1.00 0.00 C ATOM 1122 CD2 PHE A 68 -2.275 3.928 1.765 1.00 0.00 C ATOM 1123 CE1 PHE A 68 -4.211 3.843 -0.259 1.00 0.00 C ATOM 1124 CE2 PHE A 68 -2.485 2.741 1.045 1.00 0.00 C ATOM 1125 CZ PHE A 68 -3.466 2.692 0.041 1.00 0.00 C ATOM 0 H PHE A 68 -0.078 6.645 1.720 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.584 7.505 0.353 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.046 6.192 3.017 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.600 6.832 2.521 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.484 5.947 0.141 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.565 3.943 2.578 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.989 3.801 -1.007 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.892 1.865 1.263 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.646 1.773 -0.497 1.00 0.00 H new ATOM 1135 N PRO A 69 -2.885 9.642 1.857 1.00 0.00 N ATOM 1136 CA PRO A 69 -2.840 10.912 2.545 1.00 0.00 C ATOM 1137 C PRO A 69 -3.110 10.677 4.027 1.00 0.00 C ATOM 1138 O PRO A 69 -3.496 9.600 4.473 1.00 0.00 O ATOM 1139 CB PRO A 69 -3.937 11.751 1.897 1.00 0.00 C ATOM 1140 CG PRO A 69 -5.015 10.695 1.729 1.00 0.00 C ATOM 1141 CD PRO A 69 -4.230 9.433 1.335 1.00 0.00 C ATOM 0 HA PRO A 69 -1.876 11.414 2.471 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.259 12.577 2.531 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.625 12.182 0.946 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.577 10.546 2.651 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.734 10.976 0.960 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.683 8.538 1.761 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.216 9.299 0.253 1.00 0.00 H new ATOM 1149 N LYS A 70 -2.994 11.768 4.762 1.00 0.00 N ATOM 1150 CA LYS A 70 -3.457 11.879 6.132 1.00 0.00 C ATOM 1151 C LYS A 70 -4.945 12.169 6.038 1.00 0.00 C ATOM 1152 O LYS A 70 -5.291 13.330 5.805 1.00 0.00 O ATOM 1153 CB LYS A 70 -2.623 12.965 6.827 1.00 0.00 C ATOM 1154 CG LYS A 70 -2.965 13.233 8.300 1.00 0.00 C ATOM 1155 CD LYS A 70 -1.787 13.993 8.917 1.00 0.00 C ATOM 1156 CE LYS A 70 -1.915 14.163 10.432 1.00 0.00 C ATOM 1157 NZ LYS A 70 -0.662 14.663 11.041 1.00 0.00 N ATOM 0 H LYS A 70 -2.563 12.624 4.412 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.329 10.981 6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.572 12.685 6.763 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.739 13.896 6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.882 13.817 8.380 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.136 12.296 8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.862 13.462 8.693 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.711 14.976 8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.727 14.856 10.652 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.181 13.207 10.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.791 14.764 12.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.108 13.989 10.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.421 15.587 10.630 1.00 0.00 H new ATOM 1171 N GLY A 71 -5.779 11.134 6.100 1.00 0.00 N ATOM 1172 CA GLY A 71 -7.229 11.208 6.025 1.00 0.00 C ATOM 1173 C GLY A 71 -7.767 10.528 4.768 1.00 0.00 C ATOM 1174 O GLY A 71 -7.965 11.217 3.767 1.00 0.00 O ATOM 0 H GLY A 71 -5.442 10.177 6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.663 10.737 6.907 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.541 12.252 6.035 1.00 0.00 H new ATOM 1178 N LEU A 72 -7.999 9.204 4.784 1.00 0.00 N ATOM 1179 CA LEU A 72 -8.698 8.473 3.711 1.00 0.00 C ATOM 1180 C LEU A 72 -9.185 7.108 4.225 1.00 0.00 C ATOM 1181 O LEU A 72 -8.397 6.429 4.880 1.00 0.00 O ATOM 1182 CB LEU A 72 -7.724 8.275 2.535 1.00 0.00 C ATOM 1183 CG LEU A 72 -8.318 7.556 1.315 1.00 0.00 C ATOM 1184 CD1 LEU A 72 -9.500 8.314 0.718 1.00 0.00 C ATOM 1185 CD2 LEU A 72 -7.250 7.450 0.226 1.00 0.00 C ATOM 0 H LEU A 72 -7.703 8.603 5.553 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.566 9.045 3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.356 9.251 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.862 7.708 2.888 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.658 6.577 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.886 7.767 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.285 8.413 1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.174 9.305 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.666 6.940 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.923 8.449 -0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.399 6.885 0.605 1.00 0.00 H new ATOM 1197 N ARG A 73 -10.432 6.684 3.940 1.00 0.00 N ATOM 1198 CA ARG A 73 -11.051 5.450 4.474 1.00 0.00 C ATOM 1199 C ARG A 73 -11.604 4.542 3.360 1.00 0.00 C ATOM 1200 O ARG A 73 -12.786 4.636 3.046 1.00 0.00 O ATOM 1201 CB ARG A 73 -12.124 5.744 5.569 1.00 0.00 C ATOM 1202 CG ARG A 73 -12.971 7.040 5.525 1.00 0.00 C ATOM 1203 CD ARG A 73 -13.776 7.217 4.231 1.00 0.00 C ATOM 1204 NE ARG A 73 -14.986 8.042 4.357 1.00 0.00 N ATOM 1205 CZ ARG A 73 -16.232 7.550 4.428 1.00 0.00 C ATOM 1206 NH1 ARG A 73 -16.447 6.303 4.844 1.00 0.00 N ATOM 1207 NH2 ARG A 73 -17.268 8.295 4.072 1.00 0.00 N ATOM 0 H ARG A 73 -11.053 7.201 3.318 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.248 4.898 4.963 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.821 4.906 5.567 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.612 5.729 6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.658 7.041 6.371 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.310 7.898 5.650 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.128 7.663 3.477 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.063 6.232 3.863 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.871 9.055 4.393 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.660 5.712 5.112 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.399 5.939 4.894 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.121 9.249 3.742 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.213 7.915 4.128 1.00 0.00 H new ATOM 1221 N CYS A 74 -10.824 3.659 2.735 1.00 0.00 N ATOM 1222 CA CYS A 74 -11.263 2.865 1.570 1.00 0.00 C ATOM 1223 C CYS A 74 -11.141 1.364 1.858 1.00 0.00 C ATOM 1224 O CYS A 74 -10.478 0.945 2.811 1.00 0.00 O ATOM 1225 CB CYS A 74 -10.471 3.265 0.331 1.00 0.00 C ATOM 1226 SG CYS A 74 -10.630 5.043 0.030 1.00 0.00 S ATOM 0 H CYS A 74 -9.863 3.468 3.019 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.315 3.075 1.378 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -9.421 3.004 0.463 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.832 2.709 -0.535 1.00 0.00 H new ATOM 0 HG CYS A 74 -9.483 5.523 -0.348 1.00 0.00 H new ATOM 1232 N ARG A 75 -11.770 0.538 1.015 1.00 0.00 N ATOM 1233 CA ARG A 75 -11.677 -0.912 1.145 1.00 0.00 C ATOM 1234 C ARG A 75 -10.287 -1.402 0.796 1.00 0.00 C ATOM 1235 O ARG A 75 -9.525 -0.709 0.128 1.00 0.00 O ATOM 1236 CB ARG A 75 -12.719 -1.632 0.281 1.00 0.00 C ATOM 1237 CG ARG A 75 -13.791 -2.321 1.146 1.00 0.00 C ATOM 1238 CD ARG A 75 -15.172 -2.014 0.588 1.00 0.00 C ATOM 1239 NE ARG A 75 -15.509 -0.584 0.741 1.00 0.00 N ATOM 1240 CZ ARG A 75 -16.701 -0.052 1.033 1.00 0.00 C ATOM 1241 NH1 ARG A 75 -17.735 -0.819 1.357 1.00 0.00 N ATOM 1242 NH2 ARG A 75 -16.825 1.266 0.993 1.00 0.00 N ATOM 0 H ARG A 75 -12.348 0.854 0.236 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.883 -1.149 2.189 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.195 -0.916 -0.389 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.224 -2.374 -0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.625 -3.398 1.160 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.719 -1.974 2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.209 -2.287 -0.467 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.917 -2.622 1.101 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.742 0.076 0.608 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.628 -1.833 1.387 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.636 -0.394 1.576 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.024 1.846 0.744 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.722 1.701 1.211 1.00 0.00 H new ATOM 1256 N TRP A 76 -10.008 -2.629 1.215 1.00 0.00 N ATOM 1257 CA TRP A 76 -8.815 -3.388 0.897 1.00 0.00 C ATOM 1258 C TRP A 76 -9.261 -4.812 0.613 1.00 0.00 C ATOM 1259 O TRP A 76 -9.594 -5.554 1.533 1.00 0.00 O ATOM 1260 CB TRP A 76 -7.759 -3.349 2.007 1.00 0.00 C ATOM 1261 CG TRP A 76 -6.714 -2.298 1.817 1.00 0.00 C ATOM 1262 CD1 TRP A 76 -6.916 -0.966 1.937 1.00 0.00 C ATOM 1263 CD2 TRP A 76 -5.323 -2.467 1.397 1.00 0.00 C ATOM 1264 NE1 TRP A 76 -5.776 -0.300 1.544 1.00 0.00 N ATOM 1265 CE2 TRP A 76 -4.752 -1.171 1.252 1.00 0.00 C ATOM 1266 CE3 TRP A 76 -4.486 -3.562 1.079 1.00 0.00 C ATOM 1267 CZ2 TRP A 76 -3.430 -0.976 0.845 1.00 0.00 C ATOM 1268 CZ3 TRP A 76 -3.142 -3.379 0.720 1.00 0.00 C ATOM 1269 CH2 TRP A 76 -2.615 -2.087 0.600 1.00 0.00 C ATOM 0 H TRP A 76 -10.646 -3.146 1.819 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.325 -2.943 0.031 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -8.257 -3.183 2.962 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -7.273 -4.323 2.066 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -7.826 -0.499 2.285 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.700 0.715 1.478 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.891 -4.563 1.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -3.040 0.023 0.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -2.512 -4.237 0.536 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.581 -1.948 0.319 1.00 0.00 H new ATOM 1280 N LYS A 77 -9.332 -5.177 -0.659 1.00 0.00 N ATOM 1281 CA LYS A 77 -9.501 -6.536 -1.134 1.00 0.00 C ATOM 1282 C LYS A 77 -8.103 -7.134 -1.217 1.00 0.00 C ATOM 1283 O LYS A 77 -7.353 -6.847 -2.146 1.00 0.00 O ATOM 1284 CB LYS A 77 -10.218 -6.469 -2.485 1.00 0.00 C ATOM 1285 CG LYS A 77 -10.252 -7.795 -3.250 1.00 0.00 C ATOM 1286 CD LYS A 77 -11.667 -8.289 -3.523 1.00 0.00 C ATOM 1287 CE LYS A 77 -12.240 -8.930 -2.260 1.00 0.00 C ATOM 1288 NZ LYS A 77 -13.698 -9.068 -2.348 1.00 0.00 N ATOM 0 H LYS A 77 -9.270 -4.500 -1.420 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.107 -7.166 -0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.241 -6.131 -2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.729 -5.718 -3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.726 -7.675 -4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.713 -8.551 -2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.298 -7.458 -3.840 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.659 -9.012 -4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.788 -9.910 -2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.981 -8.323 -1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.002 -9.896 -1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.151 -8.213 -1.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.975 -9.193 -3.342 1.00 0.00 H new ATOM 1302 N VAL A 78 -7.729 -7.927 -0.226 1.00 0.00 N ATOM 1303 CA VAL A 78 -6.504 -8.713 -0.205 1.00 0.00 C ATOM 1304 C VAL A 78 -6.849 -9.924 -1.049 1.00 0.00 C ATOM 1305 O VAL A 78 -7.501 -10.863 -0.594 1.00 0.00 O ATOM 1306 CB VAL A 78 -6.124 -9.048 1.263 1.00 0.00 C ATOM 1307 CG1 VAL A 78 -4.632 -9.311 1.468 1.00 0.00 C ATOM 1308 CG2 VAL A 78 -6.520 -7.912 2.238 1.00 0.00 C ATOM 0 H VAL A 78 -8.290 -8.046 0.617 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.625 -8.207 -0.604 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.682 -9.960 1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.443 -9.538 2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.324 -10.156 0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.064 -8.426 1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.236 -8.188 3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.006 -6.994 1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.597 -7.753 2.193 1.00 0.00 H new ATOM 1318 N LEU A 79 -6.533 -9.816 -2.336 1.00 0.00 N ATOM 1319 CA LEU A 79 -6.767 -10.895 -3.275 1.00 0.00 C ATOM 1320 C LEU A 79 -5.821 -12.046 -2.960 1.00 0.00 C ATOM 1321 O LEU A 79 -6.191 -13.194 -3.188 1.00 0.00 O ATOM 1322 CB LEU A 79 -6.580 -10.395 -4.710 1.00 0.00 C ATOM 1323 CG LEU A 79 -7.684 -9.443 -5.200 1.00 0.00 C ATOM 1324 CD1 LEU A 79 -7.309 -8.809 -6.536 1.00 0.00 C ATOM 1325 CD2 LEU A 79 -9.039 -10.149 -5.344 1.00 0.00 C ATOM 0 H LEU A 79 -6.112 -8.984 -2.749 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.793 -11.252 -3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.619 -9.885 -4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.535 -11.255 -5.379 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.778 -8.668 -4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.107 -8.141 -6.859 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.385 -8.242 -6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.166 -9.591 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.786 -9.436 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.951 -10.963 -6.064 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.344 -10.551 -4.378 1.00 0.00 H new ATOM 1337 N GLU A 80 -4.644 -11.750 -2.405 1.00 0.00 N ATOM 1338 CA GLU A 80 -3.656 -12.719 -1.967 1.00 0.00 C ATOM 1339 C GLU A 80 -3.027 -12.229 -0.656 1.00 0.00 C ATOM 1340 O GLU A 80 -3.133 -11.040 -0.355 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.602 -12.833 -3.097 1.00 0.00 C ATOM 1342 CG GLU A 80 -2.927 -13.895 -4.160 1.00 0.00 C ATOM 1343 CD GLU A 80 -2.564 -13.433 -5.576 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -1.398 -13.038 -5.812 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -3.454 -13.453 -6.463 1.00 0.00 O ATOM 0 H GLU A 80 -4.348 -10.787 -2.245 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.095 -13.698 -1.778 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.505 -11.864 -3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.634 -13.065 -2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.386 -14.813 -3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.990 -14.133 -4.119 1.00 0.00 H new ATOM 1352 N PRO A 81 -2.301 -13.066 0.104 1.00 0.00 N ATOM 1353 CA PRO A 81 -1.493 -12.637 1.252 1.00 0.00 C ATOM 1354 C PRO A 81 -0.397 -11.658 0.811 1.00 0.00 C ATOM 1355 O PRO A 81 0.431 -12.002 -0.031 1.00 0.00 O ATOM 1356 CB PRO A 81 -0.881 -13.916 1.830 1.00 0.00 C ATOM 1357 CG PRO A 81 -0.841 -14.850 0.619 1.00 0.00 C ATOM 1358 CD PRO A 81 -2.087 -14.477 -0.165 1.00 0.00 C ATOM 0 HA PRO A 81 -2.097 -12.113 1.993 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.114 -13.740 2.238 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -1.488 -14.326 2.637 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.063 -14.701 0.028 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -0.856 -15.897 0.920 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.950 -14.658 -1.231 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.944 -15.072 0.151 1.00 0.00 H new ATOM 1366 N VAL A 82 -0.415 -10.408 1.282 1.00 0.00 N ATOM 1367 CA VAL A 82 0.557 -9.376 0.891 1.00 0.00 C ATOM 1368 C VAL A 82 1.433 -9.106 2.106 1.00 0.00 C ATOM 1369 O VAL A 82 0.911 -9.098 3.224 1.00 0.00 O ATOM 1370 CB VAL A 82 -0.159 -8.113 0.354 1.00 0.00 C ATOM 1371 CG1 VAL A 82 -1.028 -7.422 1.398 1.00 0.00 C ATOM 1372 CG2 VAL A 82 0.815 -7.062 -0.183 1.00 0.00 C ATOM 0 H VAL A 82 -1.110 -10.078 1.952 1.00 0.00 H new ATOM 0 HA VAL A 82 1.187 -9.711 0.067 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.785 -8.497 -0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.500 -6.545 0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.797 -8.112 1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.409 -7.114 2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.256 -6.199 -0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.488 -6.749 0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.396 -7.488 -1.001 1.00 0.00 H new ATOM 1382 N ARG A 83 2.735 -8.850 1.918 1.00 0.00 N ATOM 1383 CA ARG A 83 3.670 -8.839 3.047 1.00 0.00 C ATOM 1384 C ARG A 83 4.456 -7.531 3.154 1.00 0.00 C ATOM 1385 O ARG A 83 5.632 -7.546 3.515 1.00 0.00 O ATOM 1386 CB ARG A 83 4.566 -10.083 2.934 1.00 0.00 C ATOM 1387 CG ARG A 83 4.744 -10.725 4.311 1.00 0.00 C ATOM 1388 CD ARG A 83 5.907 -11.689 4.245 1.00 0.00 C ATOM 1389 NE ARG A 83 6.071 -12.517 5.444 1.00 0.00 N ATOM 1390 CZ ARG A 83 6.934 -13.540 5.485 1.00 0.00 C ATOM 1391 NH1 ARG A 83 7.751 -13.798 4.460 1.00 0.00 N ATOM 1392 NH2 ARG A 83 7.004 -14.298 6.565 1.00 0.00 N ATOM 0 H ARG A 83 3.157 -8.651 1.011 1.00 0.00 H new ATOM 0 HA ARG A 83 3.114 -8.885 3.984 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.122 -10.800 2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.537 -9.806 2.524 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.929 -9.960 5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.834 -11.249 4.605 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.775 -12.342 3.382 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.824 -11.124 4.080 1.00 0.00 H new ATOM 0 HE ARG A 83 5.511 -12.308 6.271 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.725 -13.211 3.626 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.401 -14.582 4.511 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.402 -14.103 7.365 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.660 -15.078 6.599 1.00 0.00 H new ATOM 1406 N LYS A 84 3.851 -6.425 2.707 1.00 0.00 N ATOM 1407 CA LYS A 84 4.530 -5.188 2.313 1.00 0.00 C ATOM 1408 C LYS A 84 5.378 -4.577 3.437 1.00 0.00 C ATOM 1409 O LYS A 84 5.160 -4.848 4.619 1.00 0.00 O ATOM 1410 CB LYS A 84 3.518 -4.209 1.683 1.00 0.00 C ATOM 1411 CG LYS A 84 2.860 -3.158 2.586 1.00 0.00 C ATOM 1412 CD LYS A 84 2.113 -3.737 3.783 1.00 0.00 C ATOM 1413 CE LYS A 84 1.009 -2.798 4.255 1.00 0.00 C ATOM 1414 NZ LYS A 84 -0.273 -3.009 3.559 1.00 0.00 N ATOM 0 H LYS A 84 2.838 -6.366 2.606 1.00 0.00 H new ATOM 0 HA LYS A 84 5.264 -5.432 1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.025 -3.682 0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.723 -4.800 1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.628 -2.475 2.948 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.164 -2.568 1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.682 -4.701 3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.813 -3.917 4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.860 -2.934 5.326 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.330 -1.767 4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.935 -2.247 3.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.115 -3.004 2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.675 -3.925 3.843 1.00 0.00 H new ATOM 1428 N HIS A 85 6.314 -3.696 3.084 1.00 0.00 N ATOM 1429 CA HIS A 85 6.952 -2.780 4.026 1.00 0.00 C ATOM 1430 C HIS A 85 6.083 -1.528 4.049 1.00 0.00 C ATOM 1431 O HIS A 85 5.754 -1.027 2.975 1.00 0.00 O ATOM 1432 CB HIS A 85 8.392 -2.470 3.563 1.00 0.00 C ATOM 1433 CG HIS A 85 9.399 -3.408 4.178 1.00 0.00 C ATOM 1434 ND1 HIS A 85 10.254 -4.276 3.528 1.00 0.00 N ATOM 1435 CD2 HIS A 85 9.589 -3.570 5.522 1.00 0.00 C ATOM 1436 CE1 HIS A 85 10.885 -4.992 4.473 1.00 0.00 C ATOM 1437 NE2 HIS A 85 10.511 -4.600 5.696 1.00 0.00 N ATOM 0 H HIS A 85 6.653 -3.598 2.127 1.00 0.00 H new ATOM 0 HA HIS A 85 7.032 -3.205 5.026 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.447 -2.542 2.477 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.644 -1.443 3.828 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.111 -3.002 6.307 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.598 -5.778 4.273 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.838 -4.981 6.584 1.00 0.00 H new ATOM 1445 N TYR A 86 5.691 -1.024 5.220 1.00 0.00 N ATOM 1446 CA TYR A 86 4.987 0.252 5.354 1.00 0.00 C ATOM 1447 C TYR A 86 5.804 1.168 6.253 1.00 0.00 C ATOM 1448 O TYR A 86 6.562 0.687 7.089 1.00 0.00 O ATOM 1449 CB TYR A 86 3.561 0.066 5.897 1.00 0.00 C ATOM 1450 CG TYR A 86 3.488 -0.262 7.377 1.00 0.00 C ATOM 1451 CD1 TYR A 86 3.774 -1.563 7.833 1.00 0.00 C ATOM 1452 CD2 TYR A 86 3.196 0.760 8.304 1.00 0.00 C ATOM 1453 CE1 TYR A 86 3.798 -1.833 9.210 1.00 0.00 C ATOM 1454 CE2 TYR A 86 3.235 0.500 9.683 1.00 0.00 C ATOM 1455 CZ TYR A 86 3.559 -0.796 10.135 1.00 0.00 C ATOM 1456 OH TYR A 86 3.648 -1.059 11.465 1.00 0.00 O ATOM 0 H TYR A 86 5.855 -1.494 6.110 1.00 0.00 H new ATOM 0 HA TYR A 86 4.882 0.704 4.368 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.994 0.978 5.712 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.074 -0.732 5.337 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.975 -2.352 7.124 1.00 0.00 H new ATOM 0 HD2 TYR A 86 2.941 1.748 7.951 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.999 -2.834 9.561 1.00 0.00 H new ATOM 0 HE2 TYR A 86 3.019 1.286 10.392 1.00 0.00 H new ATOM 0 HH TYR A 86 3.457 -0.243 11.973 1.00 0.00 H new ATOM 1466 N ASN A 87 5.647 2.479 6.101 1.00 0.00 N ATOM 1467 CA ASN A 87 6.301 3.467 6.936 1.00 0.00 C ATOM 1468 C ASN A 87 5.356 4.630 7.146 1.00 0.00 C ATOM 1469 O ASN A 87 4.939 5.280 6.185 1.00 0.00 O ATOM 1470 CB ASN A 87 7.607 3.933 6.299 1.00 0.00 C ATOM 1471 CG ASN A 87 8.450 4.697 7.304 1.00 0.00 C ATOM 1472 OD1 ASN A 87 8.674 4.240 8.416 1.00 0.00 O ATOM 1473 ND2 ASN A 87 8.955 5.862 6.955 1.00 0.00 N ATOM 0 H ASN A 87 5.051 2.886 5.381 1.00 0.00 H new ATOM 0 HA ASN A 87 6.549 3.024 7.901 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.164 3.073 5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.392 4.568 5.439 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.534 6.384 7.612 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.767 6.242 6.027 1.00 0.00 H new ATOM 1480 N LEU A 88 4.976 4.839 8.399 1.00 0.00 N ATOM 1481 CA LEU A 88 4.198 5.975 8.865 1.00 0.00 C ATOM 1482 C LEU A 88 5.117 7.198 8.821 1.00 0.00 C ATOM 1483 O LEU A 88 6.297 7.077 9.188 1.00 0.00 O ATOM 1484 CB LEU A 88 3.746 5.716 10.317 1.00 0.00 C ATOM 1485 CG LEU A 88 3.048 4.366 10.587 1.00 0.00 C ATOM 1486 CD1 LEU A 88 3.001 4.065 12.089 1.00 0.00 C ATOM 1487 CD2 LEU A 88 1.628 4.359 10.034 1.00 0.00 C ATOM 0 H LEU A 88 5.213 4.191 9.151 1.00 0.00 H new ATOM 0 HA LEU A 88 3.315 6.132 8.245 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.620 5.784 10.964 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.068 6.517 10.612 1.00 0.00 H new ATOM 0 HG LEU A 88 3.631 3.596 10.082 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.504 3.109 12.253 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.016 4.019 12.483 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.449 4.853 12.601 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.162 3.395 10.239 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.049 5.151 10.509 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.656 4.526 8.957 1.00 0.00 H new ATOM 1499 N PHE A 89 4.611 8.361 8.406 1.00 0.00 N ATOM 1500 CA PHE A 89 5.350 9.610 8.483 1.00 0.00 C ATOM 1501 C PHE A 89 4.375 10.760 8.677 1.00 0.00 C ATOM 1502 O PHE A 89 4.301 11.257 9.819 1.00 0.00 O ATOM 1503 CB PHE A 89 6.337 9.774 7.305 1.00 0.00 C ATOM 1504 CG PHE A 89 5.805 9.936 5.891 1.00 0.00 C ATOM 1505 CD1 PHE A 89 4.944 8.982 5.315 1.00 0.00 C ATOM 1506 CD2 PHE A 89 6.272 11.005 5.101 1.00 0.00 C ATOM 1507 CE1 PHE A 89 4.501 9.143 3.992 1.00 0.00 C ATOM 1508 CE2 PHE A 89 5.863 11.133 3.763 1.00 0.00 C ATOM 1509 CZ PHE A 89 4.957 10.215 3.211 1.00 0.00 C ATOM 0 H PHE A 89 3.677 8.457 8.008 1.00 0.00 H new ATOM 0 HA PHE A 89 6.000 9.606 9.358 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.958 10.643 7.520 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.994 8.904 7.308 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.624 8.126 5.891 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.949 11.731 5.527 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.802 8.434 3.572 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.247 11.941 3.158 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.614 10.333 2.194 1.00 0.00 H new