USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 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 41 ASN : amide:sc= 1.02 K(o=1.3,f=0.69) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.265 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.194 X(o=-0.13,f=0.024) USER MOD Set 2.2: A 39 THR OG1 : rot -110:sc= 0.0682 USER MOD Set 3.1: A 16 SER OG : rot 140:sc= 0.252 USER MOD Set 3.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.0646 X(o=-0.065,f=0) USER MOD Single : A 23 TYR OH : rot -163:sc= 0.0385 USER MOD Single : A 27 SER OG : rot -23:sc= 0.0667 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 37 ASN : amide:sc= -0.0313 X(o=-0.031,f=-0.43) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc=-0.00515 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -152:sc= 1.04 (180deg=0.526) USER MOD Single : A 76 THR OG1 : rot 122:sc= 1.31 USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 84 THR OG1 : rot 62:sc= 1.23 USER MOD Single : A 89 ASN : amide:sc= 0.223! X(o=0.22!,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 75 N VAL A 6 6.572 -10.067 -9.367 1.00 0.00 N ATOM 76 CA VAL A 6 6.066 -10.625 -10.633 1.00 0.00 C ATOM 77 C VAL A 6 7.095 -10.517 -11.780 1.00 0.00 C ATOM 78 O VAL A 6 7.407 -11.557 -12.371 1.00 0.00 O ATOM 79 CB VAL A 6 4.688 -10.018 -10.981 1.00 0.00 C ATOM 80 CG1 VAL A 6 4.226 -10.331 -12.410 1.00 0.00 C ATOM 81 CG2 VAL A 6 3.621 -10.558 -10.023 1.00 0.00 C ATOM 0 HA VAL A 6 5.916 -11.696 -10.495 1.00 0.00 H new ATOM 0 HB VAL A 6 4.808 -8.939 -10.889 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.252 -9.874 -12.586 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.948 -9.931 -13.122 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.149 -11.411 -12.539 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.653 -10.125 -10.275 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.568 -11.643 -10.112 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.882 -10.290 -8.999 1.00 0.00 H new ATOM 91 N PRO A 7 7.653 -9.330 -12.116 1.00 0.00 N ATOM 92 CA PRO A 7 8.686 -9.208 -13.147 1.00 0.00 C ATOM 93 C PRO A 7 10.090 -9.584 -12.634 1.00 0.00 C ATOM 94 O PRO A 7 10.332 -9.722 -11.431 1.00 0.00 O ATOM 95 CB PRO A 7 8.627 -7.747 -13.599 1.00 0.00 C ATOM 96 CG PRO A 7 8.286 -7.031 -12.294 1.00 0.00 C ATOM 97 CD PRO A 7 7.309 -7.998 -11.623 1.00 0.00 C ATOM 0 HA PRO A 7 8.501 -9.902 -13.967 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.576 -7.409 -14.015 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.868 -7.586 -14.364 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.172 -6.861 -11.682 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.832 -6.057 -12.474 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.397 -7.950 -10.538 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.278 -7.745 -11.871 1.00 0.00 H new ATOM 105 N GLY A 8 11.031 -9.704 -13.575 1.00 0.00 N ATOM 106 CA GLY A 8 12.459 -9.951 -13.319 1.00 0.00 C ATOM 107 C GLY A 8 13.133 -10.806 -14.401 1.00 0.00 C ATOM 108 O GLY A 8 12.515 -11.725 -14.942 1.00 0.00 O ATOM 0 H GLY A 8 10.816 -9.630 -14.569 1.00 0.00 H new ATOM 0 HA2 GLY A 8 12.978 -8.995 -13.246 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.567 -10.447 -12.355 1.00 0.00 H new ATOM 112 N LEU A 9 14.400 -10.502 -14.725 1.00 0.00 N ATOM 113 CA LEU A 9 15.218 -11.267 -15.689 1.00 0.00 C ATOM 114 C LEU A 9 16.713 -11.367 -15.305 1.00 0.00 C ATOM 115 O LEU A 9 17.584 -11.406 -16.175 1.00 0.00 O ATOM 116 CB LEU A 9 14.920 -10.815 -17.142 1.00 0.00 C ATOM 117 CG LEU A 9 15.078 -9.327 -17.516 1.00 0.00 C ATOM 118 CD1 LEU A 9 16.523 -8.849 -17.623 1.00 0.00 C ATOM 119 CD2 LEU A 9 14.425 -9.061 -18.872 1.00 0.00 C ATOM 0 H LEU A 9 14.895 -9.707 -14.321 1.00 0.00 H new ATOM 0 HA LEU A 9 14.908 -12.311 -15.638 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.568 -11.390 -17.804 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.894 -11.103 -17.371 1.00 0.00 H new ATOM 0 HG LEU A 9 14.602 -8.782 -16.701 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.538 -7.792 -17.890 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.024 -8.989 -16.665 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.041 -9.424 -18.391 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.540 -8.008 -19.131 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.904 -9.676 -19.634 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.365 -9.308 -18.820 1.00 0.00 H new ATOM 131 N LEU A 10 17.013 -11.447 -13.997 1.00 0.00 N ATOM 132 CA LEU A 10 18.370 -11.722 -13.507 1.00 0.00 C ATOM 133 C LEU A 10 18.836 -13.073 -14.061 1.00 0.00 C ATOM 134 O LEU A 10 18.209 -14.108 -13.809 1.00 0.00 O ATOM 135 CB LEU A 10 18.432 -11.732 -11.963 1.00 0.00 C ATOM 136 CG LEU A 10 18.458 -10.337 -11.312 1.00 0.00 C ATOM 137 CD1 LEU A 10 17.845 -10.375 -9.911 1.00 0.00 C ATOM 138 CD2 LEU A 10 19.887 -9.812 -11.157 1.00 0.00 C ATOM 0 H LEU A 10 16.324 -11.323 -13.255 1.00 0.00 H new ATOM 0 HA LEU A 10 19.029 -10.926 -13.853 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.570 -12.280 -11.582 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.321 -12.280 -11.652 1.00 0.00 H new ATOM 0 HG LEU A 10 17.885 -9.685 -11.971 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.876 -9.377 -9.473 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.810 -10.711 -9.976 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.412 -11.064 -9.284 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.864 -8.825 -10.694 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.459 -10.494 -10.529 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.357 -9.742 -12.138 1.00 0.00 H new ATOM 150 N THR A 11 19.952 -13.044 -14.785 1.00 0.00 N ATOM 151 CA THR A 11 20.629 -14.234 -15.303 1.00 0.00 C ATOM 152 C THR A 11 22.090 -14.251 -14.863 1.00 0.00 C ATOM 153 O THR A 11 22.769 -13.223 -14.837 1.00 0.00 O ATOM 154 CB THR A 11 20.497 -14.334 -16.831 1.00 0.00 C ATOM 155 OG1 THR A 11 19.139 -14.548 -17.175 1.00 0.00 O ATOM 156 CG2 THR A 11 21.295 -15.496 -17.426 1.00 0.00 C ATOM 0 H THR A 11 20.423 -12.174 -15.034 1.00 0.00 H new ATOM 0 HA THR A 11 20.141 -15.113 -14.883 1.00 0.00 H new ATOM 0 HB THR A 11 20.885 -13.398 -17.232 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.054 -14.610 -18.149 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.161 -15.513 -18.508 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.352 -15.368 -17.193 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.941 -16.436 -17.002 1.00 0.00 H new ATOM 164 N ASP A 12 22.578 -15.442 -14.522 1.00 0.00 N ATOM 165 CA ASP A 12 23.973 -15.741 -14.214 1.00 0.00 C ATOM 166 C ASP A 12 24.847 -15.769 -15.486 1.00 0.00 C ATOM 167 O ASP A 12 25.472 -16.777 -15.825 1.00 0.00 O ATOM 168 CB ASP A 12 24.050 -17.030 -13.373 1.00 0.00 C ATOM 169 CG ASP A 12 23.565 -18.304 -14.097 1.00 0.00 C ATOM 170 OD1 ASP A 12 24.266 -19.344 -14.025 1.00 0.00 O ATOM 171 OD2 ASP A 12 22.448 -18.301 -14.673 1.00 0.00 O ATOM 0 H ASP A 12 21.980 -16.265 -14.450 1.00 0.00 H new ATOM 0 HA ASP A 12 24.393 -14.938 -13.609 1.00 0.00 H new ATOM 0 HB2 ASP A 12 25.082 -17.180 -13.056 1.00 0.00 H new ATOM 0 HB3 ASP A 12 23.456 -16.894 -12.469 1.00 0.00 H new ATOM 176 N HIS A 13 24.919 -14.634 -16.195 1.00 0.00 N ATOM 177 CA HIS A 13 25.835 -14.402 -17.325 1.00 0.00 C ATOM 178 C HIS A 13 27.260 -14.112 -16.809 1.00 0.00 C ATOM 179 O HIS A 13 27.936 -13.172 -17.236 1.00 0.00 O ATOM 180 CB HIS A 13 25.272 -13.309 -18.258 1.00 0.00 C ATOM 181 CG HIS A 13 24.108 -13.728 -19.126 1.00 0.00 C ATOM 182 ND1 HIS A 13 22.939 -12.985 -19.327 1.00 0.00 N ATOM 183 CD2 HIS A 13 24.064 -14.836 -19.923 1.00 0.00 C ATOM 184 CE1 HIS A 13 22.221 -13.662 -20.238 1.00 0.00 C ATOM 185 NE2 HIS A 13 22.869 -14.781 -20.608 1.00 0.00 N ATOM 0 H HIS A 13 24.326 -13.829 -15.994 1.00 0.00 H new ATOM 0 HA HIS A 13 25.912 -15.304 -17.932 1.00 0.00 H new ATOM 0 HB2 HIS A 13 24.961 -12.461 -17.648 1.00 0.00 H new ATOM 0 HB3 HIS A 13 26.077 -12.958 -18.904 1.00 0.00 H new ATOM 0 HD2 HIS A 13 24.818 -15.605 -20.001 1.00 0.00 H new ATOM 0 HE1 HIS A 13 21.259 -13.352 -20.619 1.00 0.00 H new ATOM 0 HE2 HIS A 13 22.534 -15.471 -21.280 1.00 0.00 H new ATOM 193 N THR A 14 27.706 -14.910 -15.836 1.00 0.00 N ATOM 194 CA THR A 14 28.935 -14.713 -15.070 1.00 0.00 C ATOM 195 C THR A 14 29.731 -16.022 -14.923 1.00 0.00 C ATOM 196 O THR A 14 29.161 -17.067 -14.604 1.00 0.00 O ATOM 197 CB THR A 14 28.646 -14.072 -13.701 1.00 0.00 C ATOM 198 OG1 THR A 14 27.738 -14.848 -12.956 1.00 0.00 O ATOM 199 CG2 THR A 14 28.004 -12.687 -13.778 1.00 0.00 C ATOM 0 H THR A 14 27.197 -15.746 -15.550 1.00 0.00 H new ATOM 0 HA THR A 14 29.559 -14.019 -15.633 1.00 0.00 H new ATOM 0 HB THR A 14 29.631 -14.003 -13.240 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.574 -14.418 -12.091 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.834 -12.308 -12.770 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.667 -12.008 -14.314 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.052 -12.756 -14.305 1.00 0.00 H new ATOM 207 N VAL A 15 31.049 -15.986 -15.188 1.00 0.00 N ATOM 208 CA VAL A 15 31.918 -17.189 -15.317 1.00 0.00 C ATOM 209 C VAL A 15 33.248 -17.089 -14.542 1.00 0.00 C ATOM 210 O VAL A 15 34.284 -17.617 -14.955 1.00 0.00 O ATOM 211 CB VAL A 15 32.122 -17.602 -16.796 1.00 0.00 C ATOM 212 CG1 VAL A 15 30.780 -17.996 -17.422 1.00 0.00 C ATOM 213 CG2 VAL A 15 32.761 -16.530 -17.687 1.00 0.00 C ATOM 0 H VAL A 15 31.556 -15.111 -15.322 1.00 0.00 H new ATOM 0 HA VAL A 15 31.371 -17.996 -14.830 1.00 0.00 H new ATOM 0 HB VAL A 15 32.819 -18.439 -16.755 1.00 0.00 H new ATOM 0 HG11 VAL A 15 30.934 -18.285 -18.462 1.00 0.00 H new ATOM 0 HG12 VAL A 15 30.354 -18.835 -16.872 1.00 0.00 H new ATOM 0 HG13 VAL A 15 30.095 -17.149 -17.378 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.862 -16.914 -18.702 1.00 0.00 H new ATOM 0 HG22 VAL A 15 32.130 -15.641 -17.696 1.00 0.00 H new ATOM 0 HG23 VAL A 15 33.746 -16.272 -17.297 1.00 0.00 H new ATOM 223 N SER A 16 33.200 -16.434 -13.377 1.00 0.00 N ATOM 224 CA SER A 16 34.353 -16.150 -12.499 1.00 0.00 C ATOM 225 C SER A 16 34.127 -16.674 -11.075 1.00 0.00 C ATOM 226 O SER A 16 32.994 -16.700 -10.602 1.00 0.00 O ATOM 227 CB SER A 16 34.623 -14.640 -12.515 1.00 0.00 C ATOM 228 OG SER A 16 35.280 -14.216 -11.333 1.00 0.00 O ATOM 0 H SER A 16 32.325 -16.071 -13.000 1.00 0.00 H new ATOM 0 HA SER A 16 35.230 -16.675 -12.876 1.00 0.00 H new ATOM 0 HB2 SER A 16 35.234 -14.388 -13.382 1.00 0.00 H new ATOM 0 HB3 SER A 16 33.681 -14.102 -12.621 1.00 0.00 H new ATOM 0 HG SER A 16 35.963 -13.551 -11.559 1.00 0.00 H new ATOM 234 N SER A 17 35.194 -17.029 -10.351 1.00 0.00 N ATOM 235 CA SER A 17 35.117 -17.489 -8.951 1.00 0.00 C ATOM 236 C SER A 17 34.484 -16.452 -8.007 1.00 0.00 C ATOM 237 O SER A 17 33.745 -16.820 -7.092 1.00 0.00 O ATOM 238 CB SER A 17 36.519 -17.859 -8.452 1.00 0.00 C ATOM 239 OG SER A 17 37.407 -16.756 -8.594 1.00 0.00 O ATOM 0 H SER A 17 36.145 -17.007 -10.719 1.00 0.00 H new ATOM 0 HA SER A 17 34.466 -18.363 -8.940 1.00 0.00 H new ATOM 0 HB2 SER A 17 36.471 -18.162 -7.406 1.00 0.00 H new ATOM 0 HB3 SER A 17 36.898 -18.713 -9.014 1.00 0.00 H new ATOM 0 HG SER A 17 38.297 -17.008 -8.269 1.00 0.00 H new ATOM 245 N ILE A 18 34.713 -15.157 -8.265 1.00 0.00 N ATOM 246 CA ILE A 18 34.033 -14.026 -7.605 1.00 0.00 C ATOM 247 C ILE A 18 32.803 -13.564 -8.395 1.00 0.00 C ATOM 248 O ILE A 18 31.754 -13.334 -7.804 1.00 0.00 O ATOM 249 CB ILE A 18 35.000 -12.848 -7.317 1.00 0.00 C ATOM 250 CG1 ILE A 18 36.113 -12.734 -8.381 1.00 0.00 C ATOM 251 CG2 ILE A 18 35.585 -12.980 -5.901 1.00 0.00 C ATOM 252 CD1 ILE A 18 36.866 -11.414 -8.436 1.00 0.00 C ATOM 0 H ILE A 18 35.397 -14.855 -8.959 1.00 0.00 H new ATOM 0 HA ILE A 18 33.683 -14.392 -6.640 1.00 0.00 H new ATOM 0 HB ILE A 18 34.427 -11.923 -7.372 1.00 0.00 H new ATOM 0 HG12 ILE A 18 36.835 -13.532 -8.206 1.00 0.00 H new ATOM 0 HG13 ILE A 18 35.669 -12.915 -9.360 1.00 0.00 H new ATOM 0 HG21 ILE A 18 36.263 -12.148 -5.708 1.00 0.00 H new ATOM 0 HG22 ILE A 18 34.776 -12.966 -5.170 1.00 0.00 H new ATOM 0 HG23 ILE A 18 36.131 -13.920 -5.819 1.00 0.00 H new ATOM 0 HD11 ILE A 18 37.620 -11.458 -9.222 1.00 0.00 H new ATOM 0 HD12 ILE A 18 36.167 -10.605 -8.649 1.00 0.00 H new ATOM 0 HD13 ILE A 18 37.351 -11.232 -7.477 1.00 0.00 H new ATOM 264 N GLY A 19 32.864 -13.460 -9.726 1.00 0.00 N ATOM 265 CA GLY A 19 31.736 -12.932 -10.512 1.00 0.00 C ATOM 266 C GLY A 19 30.495 -13.834 -10.526 1.00 0.00 C ATOM 267 O GLY A 19 29.374 -13.334 -10.595 1.00 0.00 O ATOM 0 H GLY A 19 33.675 -13.731 -10.282 1.00 0.00 H new ATOM 0 HA2 GLY A 19 31.457 -11.957 -10.114 1.00 0.00 H new ATOM 0 HA3 GLY A 19 32.067 -12.774 -11.539 1.00 0.00 H new ATOM 271 N HIS A 20 30.663 -15.151 -10.385 1.00 0.00 N ATOM 272 CA HIS A 20 29.542 -16.092 -10.224 1.00 0.00 C ATOM 273 C HIS A 20 28.917 -15.987 -8.823 1.00 0.00 C ATOM 274 O HIS A 20 27.701 -16.069 -8.674 1.00 0.00 O ATOM 275 CB HIS A 20 30.000 -17.524 -10.549 1.00 0.00 C ATOM 276 CG HIS A 20 28.891 -18.529 -10.787 1.00 0.00 C ATOM 277 ND1 HIS A 20 29.092 -19.885 -11.064 1.00 0.00 N ATOM 278 CD2 HIS A 20 27.553 -18.264 -10.863 1.00 0.00 C ATOM 279 CE1 HIS A 20 27.873 -20.400 -11.309 1.00 0.00 C ATOM 280 NE2 HIS A 20 26.930 -19.449 -11.190 1.00 0.00 N ATOM 0 H HIS A 20 31.579 -15.599 -10.379 1.00 0.00 H new ATOM 0 HA HIS A 20 28.759 -15.824 -10.933 1.00 0.00 H new ATOM 0 HB2 HIS A 20 30.633 -17.491 -11.436 1.00 0.00 H new ATOM 0 HB3 HIS A 20 30.621 -17.883 -9.728 1.00 0.00 H new ATOM 0 HD2 HIS A 20 27.075 -17.309 -10.698 1.00 0.00 H new ATOM 0 HE1 HIS A 20 27.680 -21.431 -11.565 1.00 0.00 H new ATOM 0 HE2 HIS A 20 25.927 -19.582 -11.319 1.00 0.00 H new ATOM 288 N ASP A 21 29.721 -15.697 -7.800 1.00 0.00 N ATOM 289 CA ASP A 21 29.231 -15.451 -6.444 1.00 0.00 C ATOM 290 C ASP A 21 28.522 -14.091 -6.349 1.00 0.00 C ATOM 291 O ASP A 21 27.512 -13.993 -5.651 1.00 0.00 O ATOM 292 CB ASP A 21 30.379 -15.561 -5.426 1.00 0.00 C ATOM 293 CG ASP A 21 30.771 -17.006 -5.046 1.00 0.00 C ATOM 294 OD1 ASP A 21 31.580 -17.164 -4.100 1.00 0.00 O ATOM 295 OD2 ASP A 21 30.257 -17.988 -5.635 1.00 0.00 O ATOM 0 H ASP A 21 30.735 -15.626 -7.889 1.00 0.00 H new ATOM 0 HA ASP A 21 28.495 -16.218 -6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.256 -15.056 -5.832 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.095 -15.026 -4.520 1.00 0.00 H new ATOM 300 N PHE A 22 28.974 -13.058 -7.084 1.00 0.00 N ATOM 301 CA PHE A 22 28.284 -11.761 -7.152 1.00 0.00 C ATOM 302 C PHE A 22 26.837 -11.929 -7.599 1.00 0.00 C ATOM 303 O PHE A 22 25.958 -11.327 -6.998 1.00 0.00 O ATOM 304 CB PHE A 22 29.010 -10.800 -8.105 1.00 0.00 C ATOM 305 CG PHE A 22 28.397 -9.406 -8.166 1.00 0.00 C ATOM 306 CD1 PHE A 22 27.297 -9.169 -9.010 1.00 0.00 C ATOM 307 CD2 PHE A 22 28.893 -8.351 -7.376 1.00 0.00 C ATOM 308 CE1 PHE A 22 26.704 -7.898 -9.081 1.00 0.00 C ATOM 309 CE2 PHE A 22 28.322 -7.067 -7.465 1.00 0.00 C ATOM 310 CZ PHE A 22 27.230 -6.843 -8.321 1.00 0.00 C ATOM 0 H PHE A 22 29.825 -13.101 -7.645 1.00 0.00 H new ATOM 0 HA PHE A 22 28.293 -11.337 -6.148 1.00 0.00 H new ATOM 0 HB2 PHE A 22 30.051 -10.714 -7.794 1.00 0.00 H new ATOM 0 HB3 PHE A 22 29.010 -11.230 -9.107 1.00 0.00 H new ATOM 0 HD1 PHE A 22 26.903 -9.975 -9.611 1.00 0.00 H new ATOM 0 HD2 PHE A 22 29.715 -8.528 -6.699 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.847 -7.734 -9.718 1.00 0.00 H new ATOM 0 HE2 PHE A 22 28.723 -6.255 -6.876 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.795 -5.857 -8.394 1.00 0.00 H new ATOM 320 N TYR A 23 26.575 -12.773 -8.604 1.00 0.00 N ATOM 321 CA TYR A 23 25.208 -13.067 -9.050 1.00 0.00 C ATOM 322 C TYR A 23 24.311 -13.511 -7.882 1.00 0.00 C ATOM 323 O TYR A 23 23.270 -12.902 -7.631 1.00 0.00 O ATOM 324 CB TYR A 23 25.227 -14.138 -10.152 1.00 0.00 C ATOM 325 CG TYR A 23 23.833 -14.562 -10.557 1.00 0.00 C ATOM 326 CD1 TYR A 23 23.265 -15.731 -10.015 1.00 0.00 C ATOM 327 CD2 TYR A 23 23.074 -13.736 -11.401 1.00 0.00 C ATOM 328 CE1 TYR A 23 21.927 -16.066 -10.303 1.00 0.00 C ATOM 329 CE2 TYR A 23 21.731 -14.052 -11.670 1.00 0.00 C ATOM 330 CZ TYR A 23 21.153 -15.218 -11.127 1.00 0.00 C ATOM 331 OH TYR A 23 19.857 -15.520 -11.409 1.00 0.00 O ATOM 0 H TYR A 23 27.298 -13.268 -9.127 1.00 0.00 H new ATOM 0 HA TYR A 23 24.786 -12.148 -9.455 1.00 0.00 H new ATOM 0 HB2 TYR A 23 25.755 -13.752 -11.023 1.00 0.00 H new ATOM 0 HB3 TYR A 23 25.783 -15.008 -9.802 1.00 0.00 H new ATOM 0 HD1 TYR A 23 23.856 -16.372 -9.377 1.00 0.00 H new ATOM 0 HD2 TYR A 23 23.522 -12.858 -11.843 1.00 0.00 H new ATOM 0 HE1 TYR A 23 21.494 -16.968 -9.895 1.00 0.00 H new ATOM 0 HE2 TYR A 23 21.140 -13.399 -12.295 1.00 0.00 H new ATOM 0 HH TYR A 23 19.563 -15.004 -12.188 1.00 0.00 H new ATOM 341 N ARG A 24 24.756 -14.536 -7.137 1.00 0.00 N ATOM 342 CA ARG A 24 23.995 -15.142 -6.033 1.00 0.00 C ATOM 343 C ARG A 24 23.824 -14.167 -4.865 1.00 0.00 C ATOM 344 O ARG A 24 22.724 -13.993 -4.346 1.00 0.00 O ATOM 345 CB ARG A 24 24.679 -16.436 -5.558 1.00 0.00 C ATOM 346 CG ARG A 24 24.908 -17.443 -6.696 1.00 0.00 C ATOM 347 CD ARG A 24 25.334 -18.808 -6.144 1.00 0.00 C ATOM 348 NE ARG A 24 25.597 -19.774 -7.231 1.00 0.00 N ATOM 349 CZ ARG A 24 24.733 -20.582 -7.823 1.00 0.00 C ATOM 350 NH1 ARG A 24 23.459 -20.570 -7.545 1.00 0.00 N ATOM 351 NH2 ARG A 24 25.142 -21.433 -8.720 1.00 0.00 N ATOM 0 H ARG A 24 25.666 -14.972 -7.287 1.00 0.00 H new ATOM 0 HA ARG A 24 23.001 -15.385 -6.409 1.00 0.00 H new ATOM 0 HB2 ARG A 24 25.637 -16.188 -5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 24 24.068 -16.902 -4.785 1.00 0.00 H new ATOM 0 HG2 ARG A 24 23.994 -17.552 -7.279 1.00 0.00 H new ATOM 0 HG3 ARG A 24 25.675 -17.065 -7.372 1.00 0.00 H new ATOM 0 HD2 ARG A 24 26.230 -18.692 -5.535 1.00 0.00 H new ATOM 0 HD3 ARG A 24 24.553 -19.197 -5.491 1.00 0.00 H new ATOM 0 HE ARG A 24 26.560 -19.824 -7.565 1.00 0.00 H new ATOM 0 HH11 ARG A 24 23.095 -19.920 -6.848 1.00 0.00 H new ATOM 0 HH12 ARG A 24 22.826 -21.210 -8.025 1.00 0.00 H new ATOM 0 HH21 ARG A 24 26.131 -21.478 -8.967 1.00 0.00 H new ATOM 0 HH22 ARG A 24 24.474 -22.055 -9.175 1.00 0.00 H new ATOM 365 N ALA A 25 24.909 -13.491 -4.487 1.00 0.00 N ATOM 366 CA ALA A 25 24.911 -12.515 -3.403 1.00 0.00 C ATOM 367 C ALA A 25 24.058 -11.281 -3.734 1.00 0.00 C ATOM 368 O ALA A 25 23.286 -10.836 -2.892 1.00 0.00 O ATOM 369 CB ALA A 25 26.364 -12.138 -3.102 1.00 0.00 C ATOM 0 H ALA A 25 25.820 -13.609 -4.931 1.00 0.00 H new ATOM 0 HA ALA A 25 24.455 -12.957 -2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 25 26.390 -11.408 -2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 25 26.917 -13.029 -2.805 1.00 0.00 H new ATOM 0 HB3 ALA A 25 26.821 -11.708 -3.994 1.00 0.00 H new ATOM 375 N PHE A 26 24.139 -10.750 -4.955 1.00 0.00 N ATOM 376 CA PHE A 26 23.315 -9.625 -5.394 1.00 0.00 C ATOM 377 C PHE A 26 21.831 -10.003 -5.354 1.00 0.00 C ATOM 378 O PHE A 26 21.046 -9.314 -4.708 1.00 0.00 O ATOM 379 CB PHE A 26 23.776 -9.166 -6.790 1.00 0.00 C ATOM 380 CG PHE A 26 22.985 -8.020 -7.406 1.00 0.00 C ATOM 381 CD1 PHE A 26 23.555 -6.736 -7.513 1.00 0.00 C ATOM 382 CD2 PHE A 26 21.687 -8.239 -7.911 1.00 0.00 C ATOM 383 CE1 PHE A 26 22.834 -5.686 -8.116 1.00 0.00 C ATOM 384 CE2 PHE A 26 20.960 -7.188 -8.488 1.00 0.00 C ATOM 385 CZ PHE A 26 21.534 -5.913 -8.598 1.00 0.00 C ATOM 0 H PHE A 26 24.782 -11.091 -5.670 1.00 0.00 H new ATOM 0 HA PHE A 26 23.439 -8.782 -4.714 1.00 0.00 H new ATOM 0 HB2 PHE A 26 24.822 -8.867 -6.726 1.00 0.00 H new ATOM 0 HB3 PHE A 26 23.729 -10.020 -7.466 1.00 0.00 H new ATOM 0 HD1 PHE A 26 24.549 -6.556 -7.131 1.00 0.00 H new ATOM 0 HD2 PHE A 26 21.249 -9.224 -7.853 1.00 0.00 H new ATOM 0 HE1 PHE A 26 23.281 -4.707 -8.208 1.00 0.00 H new ATOM 0 HE2 PHE A 26 19.957 -7.361 -8.848 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.977 -5.107 -9.053 1.00 0.00 H new ATOM 395 N SER A 27 21.441 -11.119 -5.979 1.00 0.00 N ATOM 396 CA SER A 27 20.031 -11.535 -6.061 1.00 0.00 C ATOM 397 C SER A 27 19.426 -11.888 -4.692 1.00 0.00 C ATOM 398 O SER A 27 18.232 -11.669 -4.477 1.00 0.00 O ATOM 399 CB SER A 27 19.849 -12.694 -7.047 1.00 0.00 C ATOM 400 OG SER A 27 20.425 -13.894 -6.562 1.00 0.00 O ATOM 0 H SER A 27 22.088 -11.758 -6.441 1.00 0.00 H new ATOM 0 HA SER A 27 19.483 -10.670 -6.433 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.786 -12.850 -7.232 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.304 -12.433 -8.003 1.00 0.00 H new ATOM 0 HG SER A 27 21.119 -13.681 -5.903 1.00 0.00 H new ATOM 406 N ASP A 28 20.242 -12.348 -3.736 1.00 0.00 N ATOM 407 CA ASP A 28 19.836 -12.610 -2.351 1.00 0.00 C ATOM 408 C ASP A 28 19.403 -11.341 -1.588 1.00 0.00 C ATOM 409 O ASP A 28 18.507 -11.429 -0.742 1.00 0.00 O ATOM 410 CB ASP A 28 20.986 -13.302 -1.593 1.00 0.00 C ATOM 411 CG ASP A 28 21.030 -14.839 -1.730 1.00 0.00 C ATOM 412 OD1 ASP A 28 19.996 -15.480 -2.044 1.00 0.00 O ATOM 413 OD2 ASP A 28 22.097 -15.430 -1.429 1.00 0.00 O ATOM 0 H ASP A 28 21.226 -12.553 -3.909 1.00 0.00 H new ATOM 0 HA ASP A 28 18.962 -13.260 -2.401 1.00 0.00 H new ATOM 0 HB2 ASP A 28 21.932 -12.894 -1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 28 20.907 -13.049 -0.536 1.00 0.00 H new ATOM 418 N LYS A 29 20.002 -10.169 -1.878 1.00 0.00 N ATOM 419 CA LYS A 29 19.637 -8.871 -1.259 1.00 0.00 C ATOM 420 C LYS A 29 18.967 -7.854 -2.206 1.00 0.00 C ATOM 421 O LYS A 29 18.600 -6.761 -1.770 1.00 0.00 O ATOM 422 CB LYS A 29 20.778 -8.265 -0.401 1.00 0.00 C ATOM 423 CG LYS A 29 22.233 -8.672 -0.708 1.00 0.00 C ATOM 424 CD LYS A 29 22.709 -9.988 -0.061 1.00 0.00 C ATOM 425 CE LYS A 29 22.697 -9.932 1.478 1.00 0.00 C ATOM 426 NZ LYS A 29 23.227 -11.187 2.090 1.00 0.00 N ATOM 0 H LYS A 29 20.761 -10.092 -2.555 1.00 0.00 H new ATOM 0 HA LYS A 29 18.839 -9.126 -0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 29 20.714 -7.180 -0.485 1.00 0.00 H new ATOM 0 HB3 LYS A 29 20.577 -8.517 0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 29 22.347 -8.758 -1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 29 22.893 -7.868 -0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.069 -10.805 -0.396 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.719 -10.212 -0.404 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.295 -9.085 1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.678 -9.762 1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 23.201 -11.106 3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.642 -11.993 1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 24.208 -11.337 1.779 1.00 0.00 H new ATOM 440 N TRP A 30 18.756 -8.205 -3.475 1.00 0.00 N ATOM 441 CA TRP A 30 18.081 -7.355 -4.463 1.00 0.00 C ATOM 442 C TRP A 30 16.621 -7.044 -4.084 1.00 0.00 C ATOM 443 O TRP A 30 15.849 -7.933 -3.714 1.00 0.00 O ATOM 444 CB TRP A 30 18.160 -7.996 -5.853 1.00 0.00 C ATOM 445 CG TRP A 30 17.514 -7.183 -6.932 1.00 0.00 C ATOM 446 CD1 TRP A 30 16.462 -7.565 -7.690 1.00 0.00 C ATOM 447 CD2 TRP A 30 17.828 -5.818 -7.347 1.00 0.00 C ATOM 448 NE1 TRP A 30 16.106 -6.538 -8.542 1.00 0.00 N ATOM 449 CE2 TRP A 30 16.911 -5.432 -8.368 1.00 0.00 C ATOM 450 CE3 TRP A 30 18.790 -4.865 -6.953 1.00 0.00 C ATOM 451 CZ2 TRP A 30 16.950 -4.168 -8.973 1.00 0.00 C ATOM 452 CZ3 TRP A 30 18.823 -3.585 -7.536 1.00 0.00 C ATOM 453 CH2 TRP A 30 17.910 -3.233 -8.545 1.00 0.00 C ATOM 0 H TRP A 30 19.054 -9.104 -3.854 1.00 0.00 H new ATOM 0 HA TRP A 30 18.605 -6.400 -4.478 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.207 -8.156 -6.110 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.687 -8.977 -5.818 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.974 -8.527 -7.637 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.342 -6.591 -9.216 1.00 0.00 H new ATOM 0 HE3 TRP A 30 19.512 -5.122 -6.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.252 -3.915 -9.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.557 -2.866 -7.205 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.945 -2.249 -8.990 1.00 0.00 H new ATOM 464 N GLU A 31 16.245 -5.768 -4.202 1.00 0.00 N ATOM 465 CA GLU A 31 14.889 -5.241 -4.001 1.00 0.00 C ATOM 466 C GLU A 31 14.746 -3.915 -4.774 1.00 0.00 C ATOM 467 O GLU A 31 15.675 -3.100 -4.778 1.00 0.00 O ATOM 468 CB GLU A 31 14.627 -5.032 -2.496 1.00 0.00 C ATOM 469 CG GLU A 31 13.186 -4.603 -2.197 1.00 0.00 C ATOM 470 CD GLU A 31 12.945 -4.513 -0.677 1.00 0.00 C ATOM 471 OE1 GLU A 31 12.485 -5.512 -0.069 1.00 0.00 O ATOM 472 OE2 GLU A 31 13.205 -3.442 -0.077 1.00 0.00 O ATOM 0 H GLU A 31 16.910 -5.036 -4.453 1.00 0.00 H new ATOM 0 HA GLU A 31 14.153 -5.951 -4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.844 -5.957 -1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.313 -4.276 -2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.986 -3.636 -2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.490 -5.317 -2.638 1.00 0.00 H new ATOM 479 N SER A 32 13.605 -3.692 -5.439 1.00 0.00 N ATOM 480 CA SER A 32 13.391 -2.512 -6.296 1.00 0.00 C ATOM 481 C SER A 32 11.924 -2.065 -6.405 1.00 0.00 C ATOM 482 O SER A 32 10.995 -2.868 -6.279 1.00 0.00 O ATOM 483 CB SER A 32 13.971 -2.769 -7.694 1.00 0.00 C ATOM 484 OG SER A 32 13.412 -3.912 -8.325 1.00 0.00 O ATOM 0 H SER A 32 12.804 -4.322 -5.400 1.00 0.00 H new ATOM 0 HA SER A 32 13.915 -1.689 -5.810 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.797 -1.894 -8.320 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.051 -2.896 -7.616 1.00 0.00 H new ATOM 0 HG SER A 32 13.816 -4.027 -9.211 1.00 0.00 H new ATOM 490 N ASP A 33 11.720 -0.763 -6.649 1.00 0.00 N ATOM 491 CA ASP A 33 10.390 -0.154 -6.846 1.00 0.00 C ATOM 492 C ASP A 33 9.938 -0.129 -8.323 1.00 0.00 C ATOM 493 O ASP A 33 8.737 -0.137 -8.608 1.00 0.00 O ATOM 494 CB ASP A 33 10.412 1.263 -6.256 1.00 0.00 C ATOM 495 CG ASP A 33 9.010 1.898 -6.240 1.00 0.00 C ATOM 496 OD1 ASP A 33 8.155 1.452 -5.435 1.00 0.00 O ATOM 497 OD2 ASP A 33 8.768 2.860 -7.006 1.00 0.00 O ATOM 0 H ASP A 33 12.484 -0.090 -6.717 1.00 0.00 H new ATOM 0 HA ASP A 33 9.657 -0.774 -6.330 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.806 1.228 -5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.088 1.889 -6.839 1.00 0.00 H new ATOM 502 N TYR A 34 10.893 -0.126 -9.265 1.00 0.00 N ATOM 503 CA TYR A 34 10.646 -0.216 -10.711 1.00 0.00 C ATOM 504 C TYR A 34 10.397 -1.674 -11.167 1.00 0.00 C ATOM 505 O TYR A 34 10.261 -2.593 -10.356 1.00 0.00 O ATOM 506 CB TYR A 34 11.787 0.493 -11.479 1.00 0.00 C ATOM 507 CG TYR A 34 13.035 -0.336 -11.727 1.00 0.00 C ATOM 508 CD1 TYR A 34 13.299 -0.862 -13.009 1.00 0.00 C ATOM 509 CD2 TYR A 34 13.930 -0.597 -10.673 1.00 0.00 C ATOM 510 CE1 TYR A 34 14.403 -1.709 -13.213 1.00 0.00 C ATOM 511 CE2 TYR A 34 15.032 -1.449 -10.874 1.00 0.00 C ATOM 512 CZ TYR A 34 15.265 -2.018 -12.141 1.00 0.00 C ATOM 513 OH TYR A 34 16.322 -2.851 -12.328 1.00 0.00 O ATOM 0 H TYR A 34 11.885 -0.059 -9.035 1.00 0.00 H new ATOM 0 HA TYR A 34 9.721 0.309 -10.951 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.399 0.826 -12.441 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.072 1.386 -10.924 1.00 0.00 H new ATOM 0 HD1 TYR A 34 12.651 -0.613 -13.837 1.00 0.00 H new ATOM 0 HD2 TYR A 34 13.771 -0.142 -9.707 1.00 0.00 H new ATOM 0 HE1 TYR A 34 14.591 -2.123 -14.192 1.00 0.00 H new ATOM 0 HE2 TYR A 34 15.701 -1.667 -10.054 1.00 0.00 H new ATOM 0 HH TYR A 34 16.811 -2.954 -11.485 1.00 0.00 H new ATOM 523 N THR A 35 10.339 -1.902 -12.483 1.00 0.00 N ATOM 524 CA THR A 35 9.988 -3.192 -13.116 1.00 0.00 C ATOM 525 C THR A 35 11.072 -4.276 -12.971 1.00 0.00 C ATOM 526 O THR A 35 10.850 -5.417 -13.360 1.00 0.00 O ATOM 527 CB THR A 35 9.630 -2.978 -14.605 1.00 0.00 C ATOM 528 OG1 THR A 35 9.126 -1.670 -14.830 1.00 0.00 O ATOM 529 CG2 THR A 35 8.553 -3.948 -15.096 1.00 0.00 C ATOM 0 H THR A 35 10.541 -1.173 -13.167 1.00 0.00 H new ATOM 0 HA THR A 35 9.119 -3.567 -12.576 1.00 0.00 H new ATOM 0 HB THR A 35 10.560 -3.146 -15.149 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.910 -1.562 -15.780 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.340 -3.754 -16.147 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.906 -4.973 -14.981 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.644 -3.810 -14.510 1.00 0.00 H new ATOM 537 N GLY A 36 12.255 -3.966 -12.422 1.00 0.00 N ATOM 538 CA GLY A 36 13.267 -4.968 -12.041 1.00 0.00 C ATOM 539 C GLY A 36 13.874 -5.776 -13.189 1.00 0.00 C ATOM 540 O GLY A 36 14.368 -6.883 -12.988 1.00 0.00 O ATOM 0 H GLY A 36 12.541 -3.006 -12.227 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.074 -4.458 -11.515 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.814 -5.663 -11.334 1.00 0.00 H new ATOM 544 N ASN A 37 13.841 -5.247 -14.414 1.00 0.00 N ATOM 545 CA ASN A 37 14.316 -5.948 -15.613 1.00 0.00 C ATOM 546 C ASN A 37 15.833 -5.796 -15.818 1.00 0.00 C ATOM 547 O ASN A 37 16.289 -5.170 -16.772 1.00 0.00 O ATOM 548 CB ASN A 37 13.509 -5.513 -16.844 1.00 0.00 C ATOM 549 CG ASN A 37 12.011 -5.748 -16.750 1.00 0.00 C ATOM 550 OD1 ASN A 37 11.214 -4.836 -16.891 1.00 0.00 O ATOM 551 ND2 ASN A 37 11.578 -6.972 -16.538 1.00 0.00 N ATOM 0 H ASN A 37 13.481 -4.312 -14.605 1.00 0.00 H new ATOM 0 HA ASN A 37 14.146 -7.015 -15.466 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.684 -4.451 -17.017 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.890 -6.045 -17.716 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.576 -7.158 -16.492 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.244 -7.735 -16.420 1.00 0.00 H new ATOM 558 N LEU A 38 16.617 -6.368 -14.908 1.00 0.00 N ATOM 559 CA LEU A 38 18.087 -6.307 -14.905 1.00 0.00 C ATOM 560 C LEU A 38 18.778 -7.673 -14.976 1.00 0.00 C ATOM 561 O LEU A 38 18.257 -8.657 -14.461 1.00 0.00 O ATOM 562 CB LEU A 38 18.607 -5.485 -13.711 1.00 0.00 C ATOM 563 CG LEU A 38 18.699 -6.204 -12.346 1.00 0.00 C ATOM 564 CD1 LEU A 38 19.240 -5.240 -11.302 1.00 0.00 C ATOM 565 CD2 LEU A 38 17.365 -6.703 -11.800 1.00 0.00 C ATOM 0 H LEU A 38 16.241 -6.905 -14.126 1.00 0.00 H new ATOM 0 HA LEU A 38 18.355 -5.799 -15.831 1.00 0.00 H new ATOM 0 HB2 LEU A 38 19.599 -5.112 -13.964 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.960 -4.616 -13.592 1.00 0.00 H new ATOM 0 HG LEU A 38 19.343 -7.064 -12.526 1.00 0.00 H new ATOM 0 HD11 LEU A 38 19.305 -5.746 -10.339 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.231 -4.899 -11.601 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.572 -4.383 -11.217 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.525 -7.194 -10.840 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.688 -5.859 -11.667 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.927 -7.413 -12.502 1.00 0.00 H new ATOM 577 N THR A 39 19.981 -7.708 -15.548 1.00 0.00 N ATOM 578 CA THR A 39 20.866 -8.882 -15.574 1.00 0.00 C ATOM 579 C THR A 39 22.317 -8.506 -15.256 1.00 0.00 C ATOM 580 O THR A 39 22.701 -7.335 -15.327 1.00 0.00 O ATOM 581 CB THR A 39 20.739 -9.642 -16.898 1.00 0.00 C ATOM 582 OG1 THR A 39 21.299 -10.918 -16.696 1.00 0.00 O ATOM 583 CG2 THR A 39 21.431 -8.974 -18.083 1.00 0.00 C ATOM 0 H THR A 39 20.383 -6.899 -16.021 1.00 0.00 H new ATOM 0 HA THR A 39 20.542 -9.559 -14.784 1.00 0.00 H new ATOM 0 HB THR A 39 19.681 -9.673 -17.160 1.00 0.00 H new ATOM 0 HG1 THR A 39 22.138 -10.990 -17.197 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.289 -9.581 -18.977 1.00 0.00 H new ATOM 0 HG22 THR A 39 21.002 -7.985 -18.244 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.497 -8.878 -17.875 1.00 0.00 H new ATOM 591 N ILE A 40 23.125 -9.494 -14.870 1.00 0.00 N ATOM 592 CA ILE A 40 24.489 -9.327 -14.350 1.00 0.00 C ATOM 593 C ILE A 40 25.461 -10.030 -15.293 1.00 0.00 C ATOM 594 O ILE A 40 25.315 -11.216 -15.577 1.00 0.00 O ATOM 595 CB ILE A 40 24.590 -9.906 -12.924 1.00 0.00 C ATOM 596 CG1 ILE A 40 23.642 -9.166 -11.954 1.00 0.00 C ATOM 597 CG2 ILE A 40 26.032 -9.856 -12.375 1.00 0.00 C ATOM 598 CD1 ILE A 40 23.390 -9.964 -10.675 1.00 0.00 C ATOM 0 H ILE A 40 22.839 -10.472 -14.911 1.00 0.00 H new ATOM 0 HA ILE A 40 24.741 -8.268 -14.297 1.00 0.00 H new ATOM 0 HB ILE A 40 24.289 -10.951 -12.993 1.00 0.00 H new ATOM 0 HG12 ILE A 40 24.071 -8.197 -11.698 1.00 0.00 H new ATOM 0 HG13 ILE A 40 22.692 -8.973 -12.453 1.00 0.00 H new ATOM 0 HG21 ILE A 40 26.053 -10.274 -11.369 1.00 0.00 H new ATOM 0 HG22 ILE A 40 26.688 -10.437 -13.023 1.00 0.00 H new ATOM 0 HG23 ILE A 40 26.374 -8.822 -12.345 1.00 0.00 H new ATOM 0 HD11 ILE A 40 22.718 -9.405 -10.024 1.00 0.00 H new ATOM 0 HD12 ILE A 40 22.936 -10.922 -10.928 1.00 0.00 H new ATOM 0 HD13 ILE A 40 24.336 -10.135 -10.160 1.00 0.00 H new ATOM 610 N ASN A 41 26.482 -9.302 -15.732 1.00 0.00 N ATOM 611 CA ASN A 41 27.478 -9.751 -16.696 1.00 0.00 C ATOM 612 C ASN A 41 28.865 -9.601 -16.056 1.00 0.00 C ATOM 613 O ASN A 41 29.090 -8.625 -15.338 1.00 0.00 O ATOM 614 CB ASN A 41 27.345 -8.913 -17.988 1.00 0.00 C ATOM 615 CG ASN A 41 25.908 -8.704 -18.468 1.00 0.00 C ATOM 616 OD1 ASN A 41 25.391 -9.440 -19.295 1.00 0.00 O ATOM 617 ND2 ASN A 41 25.233 -7.686 -17.971 1.00 0.00 N ATOM 0 H ASN A 41 26.644 -8.347 -15.413 1.00 0.00 H new ATOM 0 HA ASN A 41 27.330 -10.797 -16.964 1.00 0.00 H new ATOM 0 HB2 ASN A 41 27.804 -7.938 -17.822 1.00 0.00 H new ATOM 0 HB3 ASN A 41 27.912 -9.401 -18.781 1.00 0.00 H new ATOM 0 HD21 ASN A 41 24.276 -7.511 -18.277 1.00 0.00 H new ATOM 0 HD22 ASN A 41 25.668 -7.074 -17.281 1.00 0.00 H new ATOM 624 N GLU A 42 29.808 -10.511 -16.306 1.00 0.00 N ATOM 625 CA GLU A 42 31.208 -10.312 -15.900 1.00 0.00 C ATOM 626 C GLU A 42 32.212 -10.575 -17.030 1.00 0.00 C ATOM 627 O GLU A 42 31.945 -11.381 -17.927 1.00 0.00 O ATOM 628 CB GLU A 42 31.524 -11.102 -14.616 1.00 0.00 C ATOM 629 CG GLU A 42 31.775 -12.596 -14.827 1.00 0.00 C ATOM 630 CD GLU A 42 33.222 -13.003 -15.130 1.00 0.00 C ATOM 631 OE1 GLU A 42 34.166 -12.239 -14.840 1.00 0.00 O ATOM 632 OE2 GLU A 42 33.370 -14.141 -15.620 1.00 0.00 O ATOM 0 H GLU A 42 29.632 -11.393 -16.787 1.00 0.00 H new ATOM 0 HA GLU A 42 31.327 -9.253 -15.669 1.00 0.00 H new ATOM 0 HB2 GLU A 42 32.403 -10.663 -14.144 1.00 0.00 H new ATOM 0 HB3 GLU A 42 30.694 -10.982 -13.919 1.00 0.00 H new ATOM 0 HG2 GLU A 42 31.450 -13.128 -13.933 1.00 0.00 H new ATOM 0 HG3 GLU A 42 31.144 -12.937 -15.648 1.00 0.00 H new ATOM 639 N ARG A 43 33.373 -9.908 -16.973 1.00 0.00 N ATOM 640 CA ARG A 43 34.527 -10.190 -17.835 1.00 0.00 C ATOM 641 C ARG A 43 35.696 -10.691 -16.977 1.00 0.00 C ATOM 642 O ARG A 43 36.194 -9.918 -16.148 1.00 0.00 O ATOM 643 CB ARG A 43 34.894 -8.957 -18.681 1.00 0.00 C ATOM 644 CG ARG A 43 35.929 -9.251 -19.782 1.00 0.00 C ATOM 645 CD ARG A 43 35.335 -10.028 -20.967 1.00 0.00 C ATOM 646 NE ARG A 43 36.359 -10.290 -21.999 1.00 0.00 N ATOM 647 CZ ARG A 43 36.683 -9.527 -23.032 1.00 0.00 C ATOM 648 NH1 ARG A 43 36.109 -8.378 -23.260 1.00 0.00 N ATOM 649 NH2 ARG A 43 37.607 -9.911 -23.865 1.00 0.00 N ATOM 0 H ARG A 43 33.538 -9.146 -16.316 1.00 0.00 H new ATOM 0 HA ARG A 43 34.273 -10.980 -18.542 1.00 0.00 H new ATOM 0 HB2 ARG A 43 33.989 -8.560 -19.141 1.00 0.00 H new ATOM 0 HB3 ARG A 43 35.285 -8.180 -18.025 1.00 0.00 H new ATOM 0 HG2 ARG A 43 36.346 -8.311 -20.143 1.00 0.00 H new ATOM 0 HG3 ARG A 43 36.754 -9.822 -19.356 1.00 0.00 H new ATOM 0 HD2 ARG A 43 34.919 -10.972 -20.615 1.00 0.00 H new ATOM 0 HD3 ARG A 43 34.513 -9.460 -21.402 1.00 0.00 H new ATOM 0 HE ARG A 43 36.879 -11.163 -21.905 1.00 0.00 H new ATOM 0 HH11 ARG A 43 35.382 -8.037 -22.631 1.00 0.00 H new ATOM 0 HH12 ARG A 43 36.387 -7.820 -24.067 1.00 0.00 H new ATOM 0 HH21 ARG A 43 38.084 -10.802 -23.723 1.00 0.00 H new ATOM 0 HH22 ARG A 43 37.854 -9.321 -24.660 1.00 0.00 H new ATOM 663 N PRO A 44 36.153 -11.940 -17.181 1.00 0.00 N ATOM 664 CA PRO A 44 37.212 -12.534 -16.380 1.00 0.00 C ATOM 665 C PRO A 44 38.575 -11.984 -16.817 1.00 0.00 C ATOM 666 O PRO A 44 38.936 -12.023 -17.998 1.00 0.00 O ATOM 667 CB PRO A 44 37.065 -14.045 -16.584 1.00 0.00 C ATOM 668 CG PRO A 44 36.494 -14.156 -17.994 1.00 0.00 C ATOM 669 CD PRO A 44 35.591 -12.933 -18.087 1.00 0.00 C ATOM 0 HA PRO A 44 37.141 -12.294 -15.319 1.00 0.00 H new ATOM 0 HB2 PRO A 44 38.023 -14.558 -16.497 1.00 0.00 H new ATOM 0 HB3 PRO A 44 36.398 -14.488 -15.844 1.00 0.00 H new ATOM 0 HG2 PRO A 44 37.278 -14.139 -18.751 1.00 0.00 H new ATOM 0 HG3 PRO A 44 35.937 -15.082 -18.133 1.00 0.00 H new ATOM 0 HD2 PRO A 44 35.556 -12.552 -19.108 1.00 0.00 H new ATOM 0 HD3 PRO A 44 34.568 -13.182 -17.804 1.00 0.00 H new ATOM 677 N SER A 45 39.338 -11.482 -15.846 1.00 0.00 N ATOM 678 CA SER A 45 40.595 -10.759 -16.050 1.00 0.00 C ATOM 679 C SER A 45 41.596 -11.197 -14.980 1.00 0.00 C ATOM 680 O SER A 45 41.837 -10.478 -14.014 1.00 0.00 O ATOM 681 CB SER A 45 40.341 -9.241 -16.000 1.00 0.00 C ATOM 682 OG SER A 45 39.556 -8.824 -17.109 1.00 0.00 O ATOM 0 H SER A 45 39.090 -11.570 -14.861 1.00 0.00 H new ATOM 0 HA SER A 45 41.010 -10.990 -17.031 1.00 0.00 H new ATOM 0 HB2 SER A 45 39.832 -8.983 -15.071 1.00 0.00 H new ATOM 0 HB3 SER A 45 41.292 -8.708 -16.001 1.00 0.00 H new ATOM 0 HG SER A 45 39.405 -7.857 -17.058 1.00 0.00 H new ATOM 688 N ALA A 46 42.181 -12.389 -15.138 1.00 0.00 N ATOM 689 CA ALA A 46 42.989 -13.073 -14.112 1.00 0.00 C ATOM 690 C ALA A 46 44.227 -12.290 -13.614 1.00 0.00 C ATOM 691 O ALA A 46 44.759 -12.580 -12.540 1.00 0.00 O ATOM 692 CB ALA A 46 43.378 -14.450 -14.665 1.00 0.00 C ATOM 0 H ALA A 46 42.106 -12.922 -16.004 1.00 0.00 H new ATOM 0 HA ALA A 46 42.373 -13.161 -13.217 1.00 0.00 H new ATOM 0 HB1 ALA A 46 43.978 -14.982 -13.927 1.00 0.00 H new ATOM 0 HB2 ALA A 46 42.476 -15.023 -14.881 1.00 0.00 H new ATOM 0 HB3 ALA A 46 43.956 -14.324 -15.580 1.00 0.00 H new ATOM 698 N ARG A 47 44.628 -11.242 -14.349 1.00 0.00 N ATOM 699 CA ARG A 47 45.551 -10.175 -13.907 1.00 0.00 C ATOM 700 C ARG A 47 45.162 -9.514 -12.569 1.00 0.00 C ATOM 701 O ARG A 47 46.045 -9.033 -11.859 1.00 0.00 O ATOM 702 CB ARG A 47 45.668 -9.122 -15.032 1.00 0.00 C ATOM 703 CG ARG A 47 44.342 -8.389 -15.329 1.00 0.00 C ATOM 704 CD ARG A 47 44.385 -7.471 -16.557 1.00 0.00 C ATOM 705 NE ARG A 47 44.488 -8.227 -17.825 1.00 0.00 N ATOM 706 CZ ARG A 47 44.065 -7.836 -19.017 1.00 0.00 C ATOM 707 NH1 ARG A 47 43.500 -6.678 -19.212 1.00 0.00 N ATOM 708 NH2 ARG A 47 44.203 -8.613 -20.054 1.00 0.00 N ATOM 0 H ARG A 47 44.307 -11.105 -15.308 1.00 0.00 H new ATOM 0 HA ARG A 47 46.516 -10.643 -13.715 1.00 0.00 H new ATOM 0 HB2 ARG A 47 46.425 -8.389 -14.755 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.015 -9.611 -15.942 1.00 0.00 H new ATOM 0 HG2 ARG A 47 43.556 -9.130 -15.472 1.00 0.00 H new ATOM 0 HG3 ARG A 47 44.066 -7.796 -14.457 1.00 0.00 H new ATOM 0 HD2 ARG A 47 43.487 -6.854 -16.577 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.235 -6.794 -16.471 1.00 0.00 H new ATOM 0 HE ARG A 47 44.931 -9.145 -17.775 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.370 -6.036 -18.430 1.00 0.00 H new ATOM 0 HH12 ARG A 47 43.188 -6.414 -20.146 1.00 0.00 H new ATOM 0 HH21 ARG A 47 44.639 -9.529 -19.950 1.00 0.00 H new ATOM 0 HH22 ARG A 47 43.875 -8.305 -20.969 1.00 0.00 H new ATOM 722 N ALA A 48 43.864 -9.486 -12.232 1.00 0.00 N ATOM 723 CA ALA A 48 43.331 -8.852 -11.019 1.00 0.00 C ATOM 724 C ALA A 48 42.029 -9.472 -10.452 1.00 0.00 C ATOM 725 O ALA A 48 41.825 -9.413 -9.241 1.00 0.00 O ATOM 726 CB ALA A 48 43.114 -7.367 -11.339 1.00 0.00 C ATOM 0 H ALA A 48 43.140 -9.914 -12.809 1.00 0.00 H new ATOM 0 HA ALA A 48 44.063 -9.013 -10.228 1.00 0.00 H new ATOM 0 HB1 ALA A 48 42.717 -6.860 -10.460 1.00 0.00 H new ATOM 0 HB2 ALA A 48 44.064 -6.913 -11.622 1.00 0.00 H new ATOM 0 HB3 ALA A 48 42.407 -7.272 -12.163 1.00 0.00 H new ATOM 732 N GLY A 49 41.144 -10.048 -11.279 1.00 0.00 N ATOM 733 CA GLY A 49 39.851 -10.605 -10.851 1.00 0.00 C ATOM 734 C GLY A 49 38.799 -10.594 -11.968 1.00 0.00 C ATOM 735 O GLY A 49 38.981 -11.255 -12.992 1.00 0.00 O ATOM 0 H GLY A 49 41.309 -10.142 -12.281 1.00 0.00 H new ATOM 0 HA2 GLY A 49 39.998 -11.629 -10.507 1.00 0.00 H new ATOM 0 HA3 GLY A 49 39.478 -10.033 -10.001 1.00 0.00 H new ATOM 739 N SER A 50 37.706 -9.852 -11.783 1.00 0.00 N ATOM 740 CA SER A 50 36.626 -9.697 -12.775 1.00 0.00 C ATOM 741 C SER A 50 36.109 -8.260 -12.882 1.00 0.00 C ATOM 742 O SER A 50 35.990 -7.543 -11.886 1.00 0.00 O ATOM 743 CB SER A 50 35.445 -10.633 -12.478 1.00 0.00 C ATOM 744 OG SER A 50 35.012 -10.537 -11.132 1.00 0.00 O ATOM 0 H SER A 50 37.538 -9.329 -10.924 1.00 0.00 H new ATOM 0 HA SER A 50 37.075 -9.966 -13.731 1.00 0.00 H new ATOM 0 HB2 SER A 50 34.616 -10.391 -13.143 1.00 0.00 H new ATOM 0 HB3 SER A 50 35.736 -11.661 -12.692 1.00 0.00 H new ATOM 0 HG SER A 50 34.259 -11.147 -10.986 1.00 0.00 H new ATOM 750 N TRP A 51 35.720 -7.850 -14.093 1.00 0.00 N ATOM 751 CA TRP A 51 34.818 -6.710 -14.273 1.00 0.00 C ATOM 752 C TRP A 51 33.388 -7.196 -14.079 1.00 0.00 C ATOM 753 O TRP A 51 33.023 -8.193 -14.687 1.00 0.00 O ATOM 754 CB TRP A 51 34.979 -6.095 -15.669 1.00 0.00 C ATOM 755 CG TRP A 51 35.831 -4.872 -15.729 1.00 0.00 C ATOM 756 CD1 TRP A 51 37.095 -4.811 -16.201 1.00 0.00 C ATOM 757 CD2 TRP A 51 35.485 -3.514 -15.323 1.00 0.00 C ATOM 758 NE1 TRP A 51 37.562 -3.515 -16.106 1.00 0.00 N ATOM 759 CE2 TRP A 51 36.605 -2.668 -15.585 1.00 0.00 C ATOM 760 CE3 TRP A 51 34.335 -2.914 -14.761 1.00 0.00 C ATOM 761 CZ2 TRP A 51 36.584 -1.293 -15.307 1.00 0.00 C ATOM 762 CZ3 TRP A 51 34.309 -1.535 -14.478 1.00 0.00 C ATOM 763 CH2 TRP A 51 35.423 -0.725 -14.755 1.00 0.00 C ATOM 0 H TRP A 51 36.016 -8.291 -14.963 1.00 0.00 H new ATOM 0 HA TRP A 51 35.060 -5.938 -13.542 1.00 0.00 H new ATOM 0 HB2 TRP A 51 35.404 -6.847 -16.333 1.00 0.00 H new ATOM 0 HB3 TRP A 51 33.990 -5.849 -16.057 1.00 0.00 H new ATOM 0 HD1 TRP A 51 37.655 -5.648 -16.593 1.00 0.00 H new ATOM 0 HE1 TRP A 51 38.498 -3.220 -16.386 1.00 0.00 H new ATOM 0 HE3 TRP A 51 33.467 -3.520 -14.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 37.448 -0.679 -15.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 33.423 -1.095 -14.043 1.00 0.00 H new ATOM 0 HH2 TRP A 51 35.387 0.334 -14.544 1.00 0.00 H new ATOM 774 N ILE A 52 32.577 -6.491 -13.295 1.00 0.00 N ATOM 775 CA ILE A 52 31.133 -6.719 -13.148 1.00 0.00 C ATOM 776 C ILE A 52 30.377 -5.570 -13.805 1.00 0.00 C ATOM 777 O ILE A 52 30.668 -4.409 -13.529 1.00 0.00 O ATOM 778 CB ILE A 52 30.737 -6.855 -11.662 1.00 0.00 C ATOM 779 CG1 ILE A 52 31.553 -7.926 -10.912 1.00 0.00 C ATOM 780 CG2 ILE A 52 29.233 -7.155 -11.523 1.00 0.00 C ATOM 781 CD1 ILE A 52 31.478 -9.330 -11.522 1.00 0.00 C ATOM 0 H ILE A 52 32.914 -5.717 -12.722 1.00 0.00 H new ATOM 0 HA ILE A 52 30.870 -7.655 -13.640 1.00 0.00 H new ATOM 0 HB ILE A 52 30.966 -5.895 -11.200 1.00 0.00 H new ATOM 0 HG12 ILE A 52 32.597 -7.613 -10.881 1.00 0.00 H new ATOM 0 HG13 ILE A 52 31.204 -7.973 -9.881 1.00 0.00 H new ATOM 0 HG21 ILE A 52 28.976 -7.247 -10.468 1.00 0.00 H new ATOM 0 HG22 ILE A 52 28.657 -6.343 -11.967 1.00 0.00 H new ATOM 0 HG23 ILE A 52 28.999 -8.088 -12.036 1.00 0.00 H new ATOM 0 HD11 ILE A 52 32.082 -10.017 -10.929 1.00 0.00 H new ATOM 0 HD12 ILE A 52 30.442 -9.669 -11.528 1.00 0.00 H new ATOM 0 HD13 ILE A 52 31.857 -9.303 -12.544 1.00 0.00 H new ATOM 793 N THR A 53 29.378 -5.899 -14.622 1.00 0.00 N ATOM 794 CA THR A 53 28.582 -4.940 -15.399 1.00 0.00 C ATOM 795 C THR A 53 27.113 -5.343 -15.339 1.00 0.00 C ATOM 796 O THR A 53 26.732 -6.404 -15.836 1.00 0.00 O ATOM 797 CB THR A 53 29.084 -4.884 -16.855 1.00 0.00 C ATOM 798 OG1 THR A 53 30.458 -4.554 -16.874 1.00 0.00 O ATOM 799 CG2 THR A 53 28.376 -3.813 -17.682 1.00 0.00 C ATOM 0 H THR A 53 29.089 -6.866 -14.768 1.00 0.00 H new ATOM 0 HA THR A 53 28.691 -3.943 -14.973 1.00 0.00 H new ATOM 0 HB THR A 53 28.884 -5.867 -17.281 1.00 0.00 H new ATOM 0 HG1 THR A 53 30.774 -4.521 -17.801 1.00 0.00 H new ATOM 0 HG21 THR A 53 28.770 -3.819 -18.698 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.306 -4.020 -17.706 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.546 -2.835 -17.233 1.00 0.00 H new ATOM 807 N ILE A 54 26.269 -4.504 -14.741 1.00 0.00 N ATOM 808 CA ILE A 54 24.821 -4.731 -14.637 1.00 0.00 C ATOM 809 C ILE A 54 24.101 -3.914 -15.709 1.00 0.00 C ATOM 810 O ILE A 54 24.330 -2.712 -15.876 1.00 0.00 O ATOM 811 CB ILE A 54 24.322 -4.545 -13.184 1.00 0.00 C ATOM 812 CG1 ILE A 54 22.795 -4.671 -12.981 1.00 0.00 C ATOM 813 CG2 ILE A 54 24.853 -3.259 -12.537 1.00 0.00 C ATOM 814 CD1 ILE A 54 21.939 -3.482 -13.446 1.00 0.00 C ATOM 0 H ILE A 54 26.573 -3.632 -14.307 1.00 0.00 H new ATOM 0 HA ILE A 54 24.575 -5.771 -14.851 1.00 0.00 H new ATOM 0 HB ILE A 54 24.752 -5.401 -12.665 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.454 -5.563 -13.507 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.605 -4.834 -11.920 1.00 0.00 H new ATOM 0 HG21 ILE A 54 24.472 -3.180 -11.519 1.00 0.00 H new ATOM 0 HG22 ILE A 54 25.942 -3.286 -12.515 1.00 0.00 H new ATOM 0 HG23 ILE A 54 24.523 -2.397 -13.117 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.888 -3.692 -13.250 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.237 -2.585 -12.904 1.00 0.00 H new ATOM 0 HD13 ILE A 54 22.084 -3.325 -14.515 1.00 0.00 H new ATOM 826 N THR A 55 23.221 -4.590 -16.444 1.00 0.00 N ATOM 827 CA THR A 55 22.448 -4.023 -17.554 1.00 0.00 C ATOM 828 C THR A 55 20.945 -4.125 -17.283 1.00 0.00 C ATOM 829 O THR A 55 20.468 -5.137 -16.773 1.00 0.00 O ATOM 830 CB THR A 55 22.826 -4.695 -18.887 1.00 0.00 C ATOM 831 OG1 THR A 55 22.785 -6.102 -18.766 1.00 0.00 O ATOM 832 CG2 THR A 55 24.256 -4.376 -19.325 1.00 0.00 C ATOM 0 H THR A 55 23.018 -5.576 -16.282 1.00 0.00 H new ATOM 0 HA THR A 55 22.697 -2.965 -17.635 1.00 0.00 H new ATOM 0 HB THR A 55 22.106 -4.313 -19.611 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.027 -6.511 -19.623 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.467 -4.876 -20.270 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.366 -3.299 -19.452 1.00 0.00 H new ATOM 0 HG23 THR A 55 24.956 -4.725 -18.566 1.00 0.00 H new ATOM 840 N VAL A 56 20.186 -3.077 -17.618 1.00 0.00 N ATOM 841 CA VAL A 56 18.711 -3.047 -17.583 1.00 0.00 C ATOM 842 C VAL A 56 18.194 -3.237 -19.005 1.00 0.00 C ATOM 843 O VAL A 56 18.467 -2.422 -19.881 1.00 0.00 O ATOM 844 CB VAL A 56 18.185 -1.767 -16.891 1.00 0.00 C ATOM 845 CG1 VAL A 56 16.689 -1.512 -17.112 1.00 0.00 C ATOM 846 CG2 VAL A 56 18.396 -1.936 -15.387 1.00 0.00 C ATOM 0 H VAL A 56 20.590 -2.195 -17.932 1.00 0.00 H new ATOM 0 HA VAL A 56 18.327 -3.865 -16.973 1.00 0.00 H new ATOM 0 HB VAL A 56 18.728 -0.925 -17.320 1.00 0.00 H new ATOM 0 HG11 VAL A 56 16.396 -0.598 -16.596 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.492 -1.406 -18.179 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.115 -2.351 -16.718 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.035 -1.049 -14.867 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.846 -2.810 -15.038 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.458 -2.070 -15.181 1.00 0.00 H new ATOM 856 N ASN A 57 17.486 -4.345 -19.230 1.00 0.00 N ATOM 857 CA ASN A 57 17.076 -4.908 -20.530 1.00 0.00 C ATOM 858 C ASN A 57 18.252 -5.154 -21.500 1.00 0.00 C ATOM 859 O ASN A 57 18.645 -6.298 -21.728 1.00 0.00 O ATOM 860 CB ASN A 57 15.943 -4.073 -21.162 1.00 0.00 C ATOM 861 CG ASN A 57 14.683 -4.045 -20.314 1.00 0.00 C ATOM 862 OD1 ASN A 57 13.979 -5.034 -20.173 1.00 0.00 O ATOM 863 ND2 ASN A 57 14.366 -2.916 -19.723 1.00 0.00 N ATOM 0 H ASN A 57 17.157 -4.920 -18.454 1.00 0.00 H new ATOM 0 HA ASN A 57 16.679 -5.902 -20.326 1.00 0.00 H new ATOM 0 HB2 ASN A 57 16.294 -3.052 -21.316 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.704 -4.480 -22.145 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.529 -2.862 -19.143 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.957 -2.094 -19.844 1.00 0.00 H new ATOM 870 N GLN A 58 18.807 -4.074 -22.057 1.00 0.00 N ATOM 871 CA GLN A 58 19.917 -4.057 -23.021 1.00 0.00 C ATOM 872 C GLN A 58 20.899 -2.880 -22.811 1.00 0.00 C ATOM 873 O GLN A 58 21.790 -2.664 -23.634 1.00 0.00 O ATOM 874 CB GLN A 58 19.334 -4.080 -24.447 1.00 0.00 C ATOM 875 CG GLN A 58 18.409 -2.890 -24.762 1.00 0.00 C ATOM 876 CD GLN A 58 17.994 -2.867 -26.233 1.00 0.00 C ATOM 877 OE1 GLN A 58 16.918 -3.314 -26.612 1.00 0.00 O ATOM 878 NE2 GLN A 58 18.827 -2.362 -27.121 1.00 0.00 N ATOM 0 H GLN A 58 18.477 -3.134 -21.837 1.00 0.00 H new ATOM 0 HA GLN A 58 20.523 -4.949 -22.858 1.00 0.00 H new ATOM 0 HB2 GLN A 58 20.155 -4.090 -25.164 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.778 -5.007 -24.587 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.520 -2.945 -24.134 1.00 0.00 H new ATOM 0 HG3 GLN A 58 18.918 -1.959 -24.513 1.00 0.00 H new ATOM 0 HE21 GLN A 58 19.726 -1.986 -26.821 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.572 -2.347 -28.109 1.00 0.00 H new ATOM 887 N ASP A 59 20.744 -2.110 -21.727 1.00 0.00 N ATOM 888 CA ASP A 59 21.490 -0.868 -21.460 1.00 0.00 C ATOM 889 C ASP A 59 22.313 -0.975 -20.174 1.00 0.00 C ATOM 890 O ASP A 59 21.786 -1.362 -19.133 1.00 0.00 O ATOM 891 CB ASP A 59 20.505 0.308 -21.362 1.00 0.00 C ATOM 892 CG ASP A 59 19.899 0.671 -22.726 1.00 0.00 C ATOM 893 OD1 ASP A 59 18.679 0.461 -22.930 1.00 0.00 O ATOM 894 OD2 ASP A 59 20.640 1.194 -23.594 1.00 0.00 O ATOM 0 H ASP A 59 20.078 -2.338 -20.989 1.00 0.00 H new ATOM 0 HA ASP A 59 22.184 -0.700 -22.283 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.705 0.053 -20.667 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.019 1.177 -20.951 1.00 0.00 H new ATOM 899 N VAL A 60 23.600 -0.612 -20.205 1.00 0.00 N ATOM 900 CA VAL A 60 24.439 -0.563 -18.991 1.00 0.00 C ATOM 901 C VAL A 60 24.079 0.642 -18.118 1.00 0.00 C ATOM 902 O VAL A 60 23.866 1.746 -18.621 1.00 0.00 O ATOM 903 CB VAL A 60 25.947 -0.639 -19.320 1.00 0.00 C ATOM 904 CG1 VAL A 60 26.457 0.508 -20.201 1.00 0.00 C ATOM 905 CG2 VAL A 60 26.803 -0.688 -18.048 1.00 0.00 C ATOM 0 H VAL A 60 24.090 -0.346 -21.059 1.00 0.00 H new ATOM 0 HA VAL A 60 24.221 -1.454 -18.403 1.00 0.00 H new ATOM 0 HB VAL A 60 26.050 -1.565 -19.886 1.00 0.00 H new ATOM 0 HG11 VAL A 60 27.524 0.379 -20.384 1.00 0.00 H new ATOM 0 HG12 VAL A 60 25.922 0.503 -21.151 1.00 0.00 H new ATOM 0 HG13 VAL A 60 26.288 1.458 -19.695 1.00 0.00 H new ATOM 0 HG21 VAL A 60 27.857 -0.741 -18.321 1.00 0.00 H new ATOM 0 HG22 VAL A 60 26.626 0.210 -17.456 1.00 0.00 H new ATOM 0 HG23 VAL A 60 26.535 -1.568 -17.463 1.00 0.00 H new ATOM 915 N ILE A 61 24.033 0.420 -16.799 1.00 0.00 N ATOM 916 CA ILE A 61 23.760 1.470 -15.802 1.00 0.00 C ATOM 917 C ILE A 61 24.783 1.534 -14.664 1.00 0.00 C ATOM 918 O ILE A 61 24.984 2.606 -14.097 1.00 0.00 O ATOM 919 CB ILE A 61 22.342 1.330 -15.223 1.00 0.00 C ATOM 920 CG1 ILE A 61 21.969 -0.106 -14.811 1.00 0.00 C ATOM 921 CG2 ILE A 61 21.311 1.905 -16.203 1.00 0.00 C ATOM 922 CD1 ILE A 61 20.827 -0.108 -13.794 1.00 0.00 C ATOM 0 H ILE A 61 24.185 -0.501 -16.387 1.00 0.00 H new ATOM 0 HA ILE A 61 23.845 2.410 -16.348 1.00 0.00 H new ATOM 0 HB ILE A 61 22.332 1.907 -14.298 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.676 -0.676 -15.693 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.840 -0.603 -14.385 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.311 1.800 -15.782 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.523 2.960 -16.377 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.366 1.364 -17.148 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.585 -1.135 -13.521 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.132 0.442 -12.904 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.949 0.368 -14.231 1.00 0.00 H new ATOM 934 N PHE A 62 25.444 0.417 -14.335 1.00 0.00 N ATOM 935 CA PHE A 62 26.508 0.389 -13.332 1.00 0.00 C ATOM 936 C PHE A 62 27.522 -0.711 -13.648 1.00 0.00 C ATOM 937 O PHE A 62 27.173 -1.771 -14.170 1.00 0.00 O ATOM 938 CB PHE A 62 25.900 0.247 -11.922 1.00 0.00 C ATOM 939 CG PHE A 62 26.926 -0.001 -10.826 1.00 0.00 C ATOM 940 CD1 PHE A 62 27.089 -1.281 -10.254 1.00 0.00 C ATOM 941 CD2 PHE A 62 27.790 1.042 -10.443 1.00 0.00 C ATOM 942 CE1 PHE A 62 28.125 -1.520 -9.329 1.00 0.00 C ATOM 943 CE2 PHE A 62 28.816 0.805 -9.512 1.00 0.00 C ATOM 944 CZ PHE A 62 28.984 -0.474 -8.958 1.00 0.00 C ATOM 0 H PHE A 62 25.254 -0.491 -14.759 1.00 0.00 H new ATOM 0 HA PHE A 62 27.054 1.332 -13.358 1.00 0.00 H new ATOM 0 HB2 PHE A 62 25.343 1.153 -11.685 1.00 0.00 H new ATOM 0 HB3 PHE A 62 25.184 -0.575 -11.928 1.00 0.00 H new ATOM 0 HD1 PHE A 62 26.417 -2.081 -10.526 1.00 0.00 H new ATOM 0 HD2 PHE A 62 27.664 2.028 -10.866 1.00 0.00 H new ATOM 0 HE1 PHE A 62 28.258 -2.505 -8.907 1.00 0.00 H new ATOM 0 HE2 PHE A 62 29.477 1.609 -9.222 1.00 0.00 H new ATOM 0 HZ PHE A 62 29.775 -0.653 -8.245 1.00 0.00 H new ATOM 954 N GLN A 63 28.788 -0.448 -13.330 1.00 0.00 N ATOM 955 CA GLN A 63 29.878 -1.412 -13.462 1.00 0.00 C ATOM 956 C GLN A 63 31.035 -1.108 -12.497 1.00 0.00 C ATOM 957 O GLN A 63 31.316 0.052 -12.193 1.00 0.00 O ATOM 958 CB GLN A 63 30.343 -1.497 -14.929 1.00 0.00 C ATOM 959 CG GLN A 63 30.846 -0.180 -15.544 1.00 0.00 C ATOM 960 CD GLN A 63 31.164 -0.341 -17.030 1.00 0.00 C ATOM 961 OE1 GLN A 63 30.555 0.274 -17.895 1.00 0.00 O ATOM 962 NE2 GLN A 63 32.121 -1.171 -17.391 1.00 0.00 N ATOM 0 H GLN A 63 29.090 0.456 -12.967 1.00 0.00 H new ATOM 0 HA GLN A 63 29.501 -2.394 -13.176 1.00 0.00 H new ATOM 0 HB2 GLN A 63 31.141 -2.237 -14.996 1.00 0.00 H new ATOM 0 HB3 GLN A 63 29.514 -1.866 -15.533 1.00 0.00 H new ATOM 0 HG2 GLN A 63 30.091 0.595 -15.414 1.00 0.00 H new ATOM 0 HG3 GLN A 63 31.738 0.153 -15.014 1.00 0.00 H new ATOM 0 HE21 GLN A 63 32.639 -1.692 -16.683 1.00 0.00 H new ATOM 0 HE22 GLN A 63 32.344 -1.293 -18.379 1.00 0.00 H new ATOM 971 N THR A 64 31.706 -2.156 -12.013 1.00 0.00 N ATOM 972 CA THR A 64 32.805 -2.076 -11.034 1.00 0.00 C ATOM 973 C THR A 64 33.750 -3.280 -11.133 1.00 0.00 C ATOM 974 O THR A 64 33.396 -4.307 -11.715 1.00 0.00 O ATOM 975 CB THR A 64 32.231 -1.939 -9.614 1.00 0.00 C ATOM 976 OG1 THR A 64 33.271 -1.658 -8.702 1.00 0.00 O ATOM 977 CG2 THR A 64 31.480 -3.185 -9.130 1.00 0.00 C ATOM 0 H THR A 64 31.498 -3.113 -12.296 1.00 0.00 H new ATOM 0 HA THR A 64 33.398 -1.191 -11.264 1.00 0.00 H new ATOM 0 HB THR A 64 31.510 -1.123 -9.659 1.00 0.00 H new ATOM 0 HG1 THR A 64 32.900 -1.570 -7.799 1.00 0.00 H new ATOM 0 HG21 THR A 64 31.104 -3.014 -8.121 1.00 0.00 H new ATOM 0 HG22 THR A 64 30.644 -3.389 -9.799 1.00 0.00 H new ATOM 0 HG23 THR A 64 32.157 -4.039 -9.125 1.00 0.00 H new ATOM 985 N PHE A 65 34.949 -3.175 -10.563 1.00 0.00 N ATOM 986 CA PHE A 65 35.933 -4.258 -10.526 1.00 0.00 C ATOM 987 C PHE A 65 35.830 -5.055 -9.212 1.00 0.00 C ATOM 988 O PHE A 65 35.819 -4.470 -8.124 1.00 0.00 O ATOM 989 CB PHE A 65 37.339 -3.682 -10.750 1.00 0.00 C ATOM 990 CG PHE A 65 38.244 -4.596 -11.551 1.00 0.00 C ATOM 991 CD1 PHE A 65 38.537 -4.290 -12.891 1.00 0.00 C ATOM 992 CD2 PHE A 65 38.772 -5.765 -10.974 1.00 0.00 C ATOM 993 CE1 PHE A 65 39.339 -5.153 -13.656 1.00 0.00 C ATOM 994 CE2 PHE A 65 39.556 -6.640 -11.746 1.00 0.00 C ATOM 995 CZ PHE A 65 39.835 -6.337 -13.091 1.00 0.00 C ATOM 0 H PHE A 65 35.270 -2.322 -10.106 1.00 0.00 H new ATOM 0 HA PHE A 65 35.725 -4.963 -11.331 1.00 0.00 H new ATOM 0 HB2 PHE A 65 37.254 -2.725 -11.265 1.00 0.00 H new ATOM 0 HB3 PHE A 65 37.800 -3.483 -9.783 1.00 0.00 H new ATOM 0 HD1 PHE A 65 38.144 -3.387 -13.335 1.00 0.00 H new ATOM 0 HD2 PHE A 65 38.575 -5.991 -9.936 1.00 0.00 H new ATOM 0 HE1 PHE A 65 39.574 -4.905 -14.680 1.00 0.00 H new ATOM 0 HE2 PHE A 65 39.945 -7.546 -11.306 1.00 0.00 H new ATOM 0 HZ PHE A 65 40.429 -7.014 -13.687 1.00 0.00 H new ATOM 1005 N LEU A 66 35.773 -6.387 -9.305 1.00 0.00 N ATOM 1006 CA LEU A 66 35.880 -7.314 -8.176 1.00 0.00 C ATOM 1007 C LEU A 66 37.271 -7.956 -8.100 1.00 0.00 C ATOM 1008 O LEU A 66 37.858 -8.330 -9.118 1.00 0.00 O ATOM 1009 CB LEU A 66 34.811 -8.410 -8.275 1.00 0.00 C ATOM 1010 CG LEU A 66 33.427 -8.077 -7.715 1.00 0.00 C ATOM 1011 CD1 LEU A 66 32.567 -9.330 -7.875 1.00 0.00 C ATOM 1012 CD2 LEU A 66 33.435 -7.754 -6.220 1.00 0.00 C ATOM 0 H LEU A 66 35.647 -6.864 -10.198 1.00 0.00 H new ATOM 0 HA LEU A 66 35.721 -6.735 -7.266 1.00 0.00 H new ATOM 0 HB2 LEU A 66 34.697 -8.679 -9.325 1.00 0.00 H new ATOM 0 HB3 LEU A 66 35.183 -9.295 -7.758 1.00 0.00 H new ATOM 0 HG LEU A 66 33.059 -7.202 -8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 66 31.567 -9.137 -7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 66 32.502 -9.594 -8.930 1.00 0.00 H new ATOM 0 HD13 LEU A 66 33.018 -10.154 -7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 66 32.421 -7.528 -5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 66 33.814 -8.612 -5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 66 34.076 -6.892 -6.037 1.00 0.00 H new ATOM 1024 N PHE A 67 37.755 -8.159 -6.871 1.00 0.00 N ATOM 1025 CA PHE A 67 39.066 -8.757 -6.576 1.00 0.00 C ATOM 1026 C PHE A 67 38.921 -9.970 -5.628 1.00 0.00 C ATOM 1027 O PHE A 67 38.236 -9.860 -4.609 1.00 0.00 O ATOM 1028 CB PHE A 67 39.994 -7.683 -5.982 1.00 0.00 C ATOM 1029 CG PHE A 67 40.102 -6.400 -6.791 1.00 0.00 C ATOM 1030 CD1 PHE A 67 39.224 -5.328 -6.529 1.00 0.00 C ATOM 1031 CD2 PHE A 67 41.077 -6.270 -7.798 1.00 0.00 C ATOM 1032 CE1 PHE A 67 39.316 -4.139 -7.275 1.00 0.00 C ATOM 1033 CE2 PHE A 67 41.172 -5.076 -8.538 1.00 0.00 C ATOM 1034 CZ PHE A 67 40.292 -4.012 -8.279 1.00 0.00 C ATOM 0 H PHE A 67 37.235 -7.907 -6.031 1.00 0.00 H new ATOM 0 HA PHE A 67 39.508 -9.128 -7.501 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.641 -7.434 -4.981 1.00 0.00 H new ATOM 0 HB3 PHE A 67 40.991 -8.109 -5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 67 38.478 -5.420 -5.753 1.00 0.00 H new ATOM 0 HD2 PHE A 67 41.753 -7.087 -8.003 1.00 0.00 H new ATOM 0 HE1 PHE A 67 38.637 -3.323 -7.076 1.00 0.00 H new ATOM 0 HE2 PHE A 67 41.924 -4.978 -9.307 1.00 0.00 H new ATOM 0 HZ PHE A 67 40.365 -3.098 -8.850 1.00 0.00 H new ATOM 1044 N PRO A 68 39.551 -11.127 -5.929 1.00 0.00 N ATOM 1045 CA PRO A 68 39.378 -12.372 -5.169 1.00 0.00 C ATOM 1046 C PRO A 68 40.213 -12.432 -3.874 1.00 0.00 C ATOM 1047 O PRO A 68 39.813 -13.091 -2.912 1.00 0.00 O ATOM 1048 CB PRO A 68 39.795 -13.479 -6.147 1.00 0.00 C ATOM 1049 CG PRO A 68 40.868 -12.795 -6.993 1.00 0.00 C ATOM 1050 CD PRO A 68 40.332 -11.381 -7.129 1.00 0.00 C ATOM 0 HA PRO A 68 38.349 -12.469 -4.821 1.00 0.00 H new ATOM 0 HB2 PRO A 68 40.186 -14.353 -5.626 1.00 0.00 H new ATOM 0 HB3 PRO A 68 38.956 -13.819 -6.755 1.00 0.00 H new ATOM 0 HG2 PRO A 68 41.842 -12.814 -6.505 1.00 0.00 H new ATOM 0 HG3 PRO A 68 40.988 -13.278 -7.963 1.00 0.00 H new ATOM 0 HD2 PRO A 68 41.147 -10.663 -7.223 1.00 0.00 H new ATOM 0 HD3 PRO A 68 39.716 -11.282 -8.023 1.00 0.00 H new ATOM 1058 N LEU A 69 41.370 -11.753 -3.841 1.00 0.00 N ATOM 1059 CA LEU A 69 42.299 -11.742 -2.696 1.00 0.00 C ATOM 1060 C LEU A 69 41.874 -10.718 -1.619 1.00 0.00 C ATOM 1061 O LEU A 69 42.166 -10.885 -0.434 1.00 0.00 O ATOM 1062 CB LEU A 69 43.726 -11.473 -3.236 1.00 0.00 C ATOM 1063 CG LEU A 69 44.835 -12.362 -2.637 1.00 0.00 C ATOM 1064 CD1 LEU A 69 46.165 -12.046 -3.325 1.00 0.00 C ATOM 1065 CD2 LEU A 69 45.032 -12.178 -1.132 1.00 0.00 C ATOM 0 H LEU A 69 41.694 -11.185 -4.624 1.00 0.00 H new ATOM 0 HA LEU A 69 42.280 -12.710 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 69 43.719 -11.608 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 69 43.978 -10.429 -3.047 1.00 0.00 H new ATOM 0 HG LEU A 69 44.517 -13.391 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 69 46.951 -12.673 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 69 46.078 -12.243 -4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 69 46.415 -10.997 -3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 69 45.828 -12.837 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 69 45.302 -11.143 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 69 44.106 -12.423 -0.611 1.00 0.00 H new ATOM 1077 N LYS A 70 41.164 -9.660 -2.037 1.00 0.00 N ATOM 1078 CA LYS A 70 40.630 -8.593 -1.165 1.00 0.00 C ATOM 1079 C LYS A 70 39.284 -8.988 -0.532 1.00 0.00 C ATOM 1080 O LYS A 70 38.609 -9.913 -0.988 1.00 0.00 O ATOM 1081 CB LYS A 70 40.514 -7.275 -1.958 1.00 0.00 C ATOM 1082 CG LYS A 70 41.819 -6.778 -2.611 1.00 0.00 C ATOM 1083 CD LYS A 70 42.927 -6.465 -1.593 1.00 0.00 C ATOM 1084 CE LYS A 70 44.136 -5.839 -2.303 1.00 0.00 C ATOM 1085 NZ LYS A 70 45.218 -5.481 -1.342 1.00 0.00 N ATOM 0 H LYS A 70 40.936 -9.515 -3.021 1.00 0.00 H new ATOM 0 HA LYS A 70 41.329 -8.445 -0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 70 39.764 -7.405 -2.738 1.00 0.00 H new ATOM 0 HB3 LYS A 70 40.145 -6.499 -1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 70 42.179 -7.534 -3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 70 41.607 -5.882 -3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 70 42.549 -5.783 -0.832 1.00 0.00 H new ATOM 0 HD3 LYS A 70 43.229 -7.378 -1.081 1.00 0.00 H new ATOM 0 HE2 LYS A 70 44.524 -6.538 -3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 70 43.819 -4.946 -2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 46.017 -5.061 -1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 44.855 -4.795 -0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 45.538 -6.337 -0.845 1.00 0.00 H new ATOM 1099 N ARG A 71 38.885 -8.256 0.518 1.00 0.00 N ATOM 1100 CA ARG A 71 37.670 -8.504 1.330 1.00 0.00 C ATOM 1101 C ARG A 71 36.527 -7.509 1.074 1.00 0.00 C ATOM 1102 O ARG A 71 35.586 -7.431 1.863 1.00 0.00 O ATOM 1103 CB ARG A 71 38.064 -8.630 2.818 1.00 0.00 C ATOM 1104 CG ARG A 71 38.964 -9.855 3.062 1.00 0.00 C ATOM 1105 CD ARG A 71 39.302 -10.046 4.547 1.00 0.00 C ATOM 1106 NE ARG A 71 40.160 -8.960 5.070 1.00 0.00 N ATOM 1107 CZ ARG A 71 41.480 -8.882 5.020 1.00 0.00 C ATOM 1108 NH1 ARG A 71 42.213 -9.795 4.446 1.00 0.00 N ATOM 1109 NH2 ARG A 71 42.096 -7.864 5.551 1.00 0.00 N ATOM 0 H ARG A 71 39.413 -7.446 0.842 1.00 0.00 H new ATOM 0 HA ARG A 71 37.241 -9.453 1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 71 38.584 -7.726 3.135 1.00 0.00 H new ATOM 0 HB3 ARG A 71 37.164 -8.711 3.428 1.00 0.00 H new ATOM 0 HG2 ARG A 71 38.465 -10.749 2.688 1.00 0.00 H new ATOM 0 HG3 ARG A 71 39.887 -9.743 2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 71 38.379 -10.088 5.125 1.00 0.00 H new ATOM 0 HD3 ARG A 71 39.807 -11.003 4.683 1.00 0.00 H new ATOM 0 HE ARG A 71 39.679 -8.182 5.521 1.00 0.00 H new ATOM 0 HH11 ARG A 71 41.771 -10.607 4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 71 43.228 -9.698 4.429 1.00 0.00 H new ATOM 0 HH21 ARG A 71 41.561 -7.125 6.007 1.00 0.00 H new ATOM 0 HH22 ARG A 71 43.114 -7.806 5.511 1.00 0.00 H new ATOM 1123 N ASP A 72 36.578 -6.760 -0.029 1.00 0.00 N ATOM 1124 CA ASP A 72 35.525 -5.803 -0.412 1.00 0.00 C ATOM 1125 C ASP A 72 34.271 -6.451 -1.008 1.00 0.00 C ATOM 1126 O ASP A 72 33.242 -5.789 -1.048 1.00 0.00 O ATOM 1127 CB ASP A 72 36.057 -4.747 -1.390 1.00 0.00 C ATOM 1128 CG ASP A 72 36.293 -5.319 -2.803 1.00 0.00 C ATOM 1129 OD1 ASP A 72 35.374 -5.227 -3.655 1.00 0.00 O ATOM 1130 OD2 ASP A 72 37.389 -5.875 -3.044 1.00 0.00 O ATOM 0 H ASP A 72 37.354 -6.797 -0.690 1.00 0.00 H new ATOM 0 HA ASP A 72 35.228 -5.333 0.526 1.00 0.00 H new ATOM 0 HB2 ASP A 72 35.348 -3.921 -1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 72 36.992 -4.338 -1.006 1.00 0.00 H new ATOM 1135 N PHE A 73 34.326 -7.715 -1.451 1.00 0.00 N ATOM 1136 CA PHE A 73 33.267 -8.361 -2.244 1.00 0.00 C ATOM 1137 C PHE A 73 31.853 -8.135 -1.682 1.00 0.00 C ATOM 1138 O PHE A 73 30.970 -7.685 -2.408 1.00 0.00 O ATOM 1139 CB PHE A 73 33.599 -9.859 -2.386 1.00 0.00 C ATOM 1140 CG PHE A 73 32.470 -10.711 -2.940 1.00 0.00 C ATOM 1141 CD1 PHE A 73 32.415 -11.004 -4.315 1.00 0.00 C ATOM 1142 CD2 PHE A 73 31.465 -11.200 -2.080 1.00 0.00 C ATOM 1143 CE1 PHE A 73 31.343 -11.749 -4.836 1.00 0.00 C ATOM 1144 CE2 PHE A 73 30.388 -11.933 -2.601 1.00 0.00 C ATOM 1145 CZ PHE A 73 30.324 -12.198 -3.977 1.00 0.00 C ATOM 0 H PHE A 73 35.120 -8.328 -1.266 1.00 0.00 H new ATOM 0 HA PHE A 73 33.248 -7.893 -3.228 1.00 0.00 H new ATOM 0 HB2 PHE A 73 34.468 -9.964 -3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 73 33.883 -10.248 -1.408 1.00 0.00 H new ATOM 0 HD1 PHE A 73 33.198 -10.656 -4.972 1.00 0.00 H new ATOM 0 HD2 PHE A 73 31.524 -11.010 -1.019 1.00 0.00 H new ATOM 0 HE1 PHE A 73 31.302 -11.976 -5.891 1.00 0.00 H new ATOM 0 HE2 PHE A 73 29.610 -12.292 -1.944 1.00 0.00 H new ATOM 0 HZ PHE A 73 29.487 -12.750 -4.379 1.00 0.00 H new ATOM 1155 N GLU A 74 31.646 -8.358 -0.379 1.00 0.00 N ATOM 1156 CA GLU A 74 30.333 -8.175 0.264 1.00 0.00 C ATOM 1157 C GLU A 74 29.865 -6.713 0.208 1.00 0.00 C ATOM 1158 O GLU A 74 28.713 -6.419 -0.114 1.00 0.00 O ATOM 1159 CB GLU A 74 30.427 -8.649 1.720 1.00 0.00 C ATOM 1160 CG GLU A 74 29.048 -8.954 2.311 1.00 0.00 C ATOM 1161 CD GLU A 74 29.172 -9.422 3.774 1.00 0.00 C ATOM 1162 OE1 GLU A 74 29.091 -10.648 4.035 1.00 0.00 O ATOM 1163 OE2 GLU A 74 29.350 -8.567 4.676 1.00 0.00 O ATOM 0 H GLU A 74 32.378 -8.669 0.260 1.00 0.00 H new ATOM 0 HA GLU A 74 29.595 -8.766 -0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 74 31.050 -9.542 1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 74 30.918 -7.883 2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 74 28.421 -8.064 2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 74 28.555 -9.725 1.718 1.00 0.00 H new ATOM 1170 N LYS A 75 30.797 -5.787 0.451 1.00 0.00 N ATOM 1171 CA LYS A 75 30.562 -4.337 0.422 1.00 0.00 C ATOM 1172 C LYS A 75 30.245 -3.871 -0.999 1.00 0.00 C ATOM 1173 O LYS A 75 29.252 -3.183 -1.212 1.00 0.00 O ATOM 1174 CB LYS A 75 31.762 -3.582 1.040 1.00 0.00 C ATOM 1175 CG LYS A 75 32.013 -4.000 2.503 1.00 0.00 C ATOM 1176 CD LYS A 75 33.166 -5.009 2.657 1.00 0.00 C ATOM 1177 CE LYS A 75 33.027 -5.802 3.964 1.00 0.00 C ATOM 1178 NZ LYS A 75 34.262 -6.585 4.267 1.00 0.00 N ATOM 0 H LYS A 75 31.761 -6.029 0.679 1.00 0.00 H new ATOM 0 HA LYS A 75 29.690 -4.105 1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 75 32.657 -3.776 0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 75 31.577 -2.509 0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 75 32.235 -3.112 3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 75 31.101 -4.435 2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 75 33.171 -5.694 1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 75 34.120 -4.482 2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 75 32.820 -5.116 4.786 1.00 0.00 H new ATOM 0 HE3 LYS A 75 32.176 -6.479 3.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 34.012 -7.426 4.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 34.712 -6.882 3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 34.924 -5.994 4.809 1.00 0.00 H new ATOM 1192 N THR A 76 31.006 -4.344 -1.982 1.00 0.00 N ATOM 1193 CA THR A 76 30.792 -4.103 -3.417 1.00 0.00 C ATOM 1194 C THR A 76 29.454 -4.668 -3.905 1.00 0.00 C ATOM 1195 O THR A 76 28.752 -3.984 -4.647 1.00 0.00 O ATOM 1196 CB THR A 76 31.991 -4.653 -4.215 1.00 0.00 C ATOM 1197 OG1 THR A 76 33.115 -3.858 -3.913 1.00 0.00 O ATOM 1198 CG2 THR A 76 31.790 -4.596 -5.732 1.00 0.00 C ATOM 0 H THR A 76 31.822 -4.929 -1.800 1.00 0.00 H new ATOM 0 HA THR A 76 30.732 -3.028 -3.586 1.00 0.00 H new ATOM 0 HB THR A 76 32.113 -5.699 -3.933 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.829 -4.424 -3.553 1.00 0.00 H new ATOM 0 HG21 THR A 76 32.671 -4.998 -6.231 1.00 0.00 H new ATOM 0 HG22 THR A 76 30.916 -5.187 -6.006 1.00 0.00 H new ATOM 0 HG23 THR A 76 31.639 -3.561 -6.040 1.00 0.00 H new ATOM 1206 N VAL A 77 29.026 -5.847 -3.432 1.00 0.00 N ATOM 1207 CA VAL A 77 27.680 -6.395 -3.707 1.00 0.00 C ATOM 1208 C VAL A 77 26.602 -5.470 -3.147 1.00 0.00 C ATOM 1209 O VAL A 77 25.744 -5.026 -3.904 1.00 0.00 O ATOM 1210 CB VAL A 77 27.515 -7.830 -3.158 1.00 0.00 C ATOM 1211 CG1 VAL A 77 26.053 -8.296 -3.156 1.00 0.00 C ATOM 1212 CG2 VAL A 77 28.298 -8.837 -4.007 1.00 0.00 C ATOM 0 H VAL A 77 29.601 -6.453 -2.846 1.00 0.00 H new ATOM 0 HA VAL A 77 27.564 -6.452 -4.789 1.00 0.00 H new ATOM 0 HB VAL A 77 27.892 -7.794 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 77 25.995 -9.310 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 77 25.459 -7.629 -2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 77 25.665 -8.281 -4.174 1.00 0.00 H new ATOM 0 HG21 VAL A 77 28.165 -9.839 -3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 77 27.931 -8.811 -5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 77 29.357 -8.578 -3.994 1.00 0.00 H new ATOM 1222 N VAL A 78 26.655 -5.126 -1.854 1.00 0.00 N ATOM 1223 CA VAL A 78 25.632 -4.280 -1.203 1.00 0.00 C ATOM 1224 C VAL A 78 25.571 -2.892 -1.845 1.00 0.00 C ATOM 1225 O VAL A 78 24.488 -2.356 -2.084 1.00 0.00 O ATOM 1226 CB VAL A 78 25.889 -4.187 0.317 1.00 0.00 C ATOM 1227 CG1 VAL A 78 24.979 -3.174 1.024 1.00 0.00 C ATOM 1228 CG2 VAL A 78 25.637 -5.547 0.976 1.00 0.00 C ATOM 0 H VAL A 78 27.403 -5.422 -1.227 1.00 0.00 H new ATOM 0 HA VAL A 78 24.659 -4.749 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 78 26.925 -3.865 0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 78 25.211 -3.158 2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 78 25.142 -2.182 0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.937 -3.461 0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.821 -5.472 2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.603 -5.848 0.805 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.307 -6.290 0.544 1.00 0.00 H new ATOM 1238 N ALA A 79 26.723 -2.335 -2.213 1.00 0.00 N ATOM 1239 CA ALA A 79 26.821 -1.029 -2.851 1.00 0.00 C ATOM 1240 C ALA A 79 26.283 -1.044 -4.288 1.00 0.00 C ATOM 1241 O ALA A 79 25.719 -0.051 -4.746 1.00 0.00 O ATOM 1242 CB ALA A 79 28.289 -0.610 -2.787 1.00 0.00 C ATOM 0 H ALA A 79 27.627 -2.787 -2.073 1.00 0.00 H new ATOM 0 HA ALA A 79 26.198 -0.304 -2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.409 0.367 -3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 79 28.607 -0.555 -1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.900 -1.343 -3.314 1.00 0.00 H new ATOM 1248 N ALA A 80 26.412 -2.153 -5.020 1.00 0.00 N ATOM 1249 CA ALA A 80 25.844 -2.288 -6.361 1.00 0.00 C ATOM 1250 C ALA A 80 24.308 -2.260 -6.346 1.00 0.00 C ATOM 1251 O ALA A 80 23.709 -1.793 -7.309 1.00 0.00 O ATOM 1252 CB ALA A 80 26.367 -3.584 -6.987 1.00 0.00 C ATOM 0 H ALA A 80 26.913 -2.981 -4.699 1.00 0.00 H new ATOM 0 HA ALA A 80 26.157 -1.434 -6.962 1.00 0.00 H new ATOM 0 HB1 ALA A 80 25.951 -3.698 -7.988 1.00 0.00 H new ATOM 0 HB2 ALA A 80 27.455 -3.546 -7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 80 26.068 -4.432 -6.371 1.00 0.00 H new ATOM 1258 N LEU A 81 23.663 -2.673 -5.248 1.00 0.00 N ATOM 1259 CA LEU A 81 22.195 -2.644 -5.114 1.00 0.00 C ATOM 1260 C LEU A 81 21.686 -1.193 -5.191 1.00 0.00 C ATOM 1261 O LEU A 81 20.802 -0.868 -5.982 1.00 0.00 O ATOM 1262 CB LEU A 81 21.749 -3.281 -3.777 1.00 0.00 C ATOM 1263 CG LEU A 81 22.338 -4.654 -3.417 1.00 0.00 C ATOM 1264 CD1 LEU A 81 21.948 -5.030 -1.992 1.00 0.00 C ATOM 1265 CD2 LEU A 81 21.884 -5.778 -4.344 1.00 0.00 C ATOM 0 H LEU A 81 24.142 -3.038 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 81 21.768 -3.223 -5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.997 -2.587 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.663 -3.374 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 81 23.418 -4.551 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.369 -6.004 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.334 -4.282 -1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.862 -5.073 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.340 -6.716 -4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.799 -5.869 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.189 -5.552 -5.366 1.00 0.00 H new ATOM 1277 N ILE A 82 22.323 -0.308 -4.414 1.00 0.00 N ATOM 1278 CA ILE A 82 22.010 1.129 -4.360 1.00 0.00 C ATOM 1279 C ILE A 82 22.391 1.800 -5.686 1.00 0.00 C ATOM 1280 O ILE A 82 21.587 2.507 -6.285 1.00 0.00 O ATOM 1281 CB ILE A 82 22.714 1.786 -3.144 1.00 0.00 C ATOM 1282 CG1 ILE A 82 22.282 1.110 -1.817 1.00 0.00 C ATOM 1283 CG2 ILE A 82 22.405 3.295 -3.100 1.00 0.00 C ATOM 1284 CD1 ILE A 82 23.060 1.582 -0.581 1.00 0.00 C ATOM 0 H ILE A 82 23.086 -0.574 -3.792 1.00 0.00 H new ATOM 0 HA ILE A 82 20.937 1.264 -4.223 1.00 0.00 H new ATOM 0 HB ILE A 82 23.789 1.648 -3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 82 21.220 1.298 -1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 82 22.403 0.031 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 82 22.905 3.744 -2.242 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.762 3.766 -4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 82 21.329 3.444 -3.011 1.00 0.00 H new ATOM 0 HD11 ILE A 82 22.693 1.058 0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 82 24.120 1.368 -0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 82 22.920 2.655 -0.451 1.00 0.00 H new ATOM 1296 N GLN A 83 23.595 1.532 -6.201 1.00 0.00 N ATOM 1297 CA GLN A 83 24.097 2.171 -7.429 1.00 0.00 C ATOM 1298 C GLN A 83 23.317 1.744 -8.687 1.00 0.00 C ATOM 1299 O GLN A 83 23.209 2.518 -9.638 1.00 0.00 O ATOM 1300 CB GLN A 83 25.598 1.880 -7.574 1.00 0.00 C ATOM 1301 CG GLN A 83 26.405 2.614 -6.491 1.00 0.00 C ATOM 1302 CD GLN A 83 27.873 2.201 -6.475 1.00 0.00 C ATOM 1303 OE1 GLN A 83 28.171 1.013 -5.990 1.00 0.00 O flip ATOM 1304 NE2 GLN A 83 28.767 2.934 -6.876 1.00 0.00 N flip ATOM 0 H GLN A 83 24.249 0.870 -5.783 1.00 0.00 H new ATOM 0 HA GLN A 83 23.942 3.246 -7.337 1.00 0.00 H new ATOM 0 HB2 GLN A 83 25.774 0.807 -7.500 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.939 2.191 -8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.335 3.689 -6.657 1.00 0.00 H new ATOM 0 HG3 GLN A 83 25.964 2.413 -5.515 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.541 3.855 -7.252 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.738 2.624 -6.834 1.00 0.00 H new ATOM 1313 N THR A 84 22.705 0.554 -8.668 1.00 0.00 N ATOM 1314 CA THR A 84 21.770 0.104 -9.710 1.00 0.00 C ATOM 1315 C THR A 84 20.516 0.977 -9.736 1.00 0.00 C ATOM 1316 O THR A 84 20.136 1.457 -10.801 1.00 0.00 O ATOM 1317 CB THR A 84 21.391 -1.369 -9.508 1.00 0.00 C ATOM 1318 OG1 THR A 84 22.534 -2.171 -9.687 1.00 0.00 O ATOM 1319 CG2 THR A 84 20.386 -1.887 -10.523 1.00 0.00 C ATOM 0 H THR A 84 22.845 -0.130 -7.924 1.00 0.00 H new ATOM 0 HA THR A 84 22.274 0.201 -10.671 1.00 0.00 H new ATOM 0 HB THR A 84 20.962 -1.422 -8.507 1.00 0.00 H new ATOM 0 HG1 THR A 84 23.208 -1.934 -9.016 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.167 -2.935 -10.316 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.467 -1.304 -10.456 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.802 -1.794 -11.526 1.00 0.00 H new ATOM 1327 N GLU A 85 19.881 1.250 -8.589 1.00 0.00 N ATOM 1328 CA GLU A 85 18.691 2.113 -8.589 1.00 0.00 C ATOM 1329 C GLU A 85 19.046 3.593 -8.776 1.00 0.00 C ATOM 1330 O GLU A 85 18.268 4.325 -9.377 1.00 0.00 O ATOM 1331 CB GLU A 85 17.796 1.881 -7.361 1.00 0.00 C ATOM 1332 CG GLU A 85 18.382 2.333 -6.016 1.00 0.00 C ATOM 1333 CD GLU A 85 17.266 2.526 -4.971 1.00 0.00 C ATOM 1334 OE1 GLU A 85 17.095 1.657 -4.082 1.00 0.00 O ATOM 1335 OE2 GLU A 85 16.560 3.566 -5.032 1.00 0.00 O ATOM 0 H GLU A 85 20.160 0.898 -7.673 1.00 0.00 H new ATOM 0 HA GLU A 85 18.102 1.821 -9.458 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.852 2.402 -7.519 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.566 0.817 -7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.097 1.592 -5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 85 18.929 3.267 -6.148 1.00 0.00 H new ATOM 1342 N GLU A 86 20.212 4.063 -8.332 1.00 0.00 N ATOM 1343 CA GLU A 86 20.633 5.469 -8.481 1.00 0.00 C ATOM 1344 C GLU A 86 20.748 5.917 -9.946 1.00 0.00 C ATOM 1345 O GLU A 86 20.482 7.080 -10.252 1.00 0.00 O ATOM 1346 CB GLU A 86 21.954 5.705 -7.740 1.00 0.00 C ATOM 1347 CG GLU A 86 21.739 5.764 -6.224 1.00 0.00 C ATOM 1348 CD GLU A 86 21.319 7.175 -5.769 1.00 0.00 C ATOM 1349 OE1 GLU A 86 22.187 7.945 -5.289 1.00 0.00 O ATOM 1350 OE2 GLU A 86 20.121 7.528 -5.895 1.00 0.00 O ATOM 0 H GLU A 86 20.900 3.480 -7.855 1.00 0.00 H new ATOM 0 HA GLU A 86 19.848 6.081 -8.036 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.655 4.906 -7.979 1.00 0.00 H new ATOM 0 HB3 GLU A 86 22.404 6.637 -8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 86 20.973 5.044 -5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.657 5.474 -5.713 1.00 0.00 H new ATOM 1357 N ALA A 87 21.042 4.989 -10.866 1.00 0.00 N ATOM 1358 CA ALA A 87 20.961 5.239 -12.305 1.00 0.00 C ATOM 1359 C ALA A 87 19.519 5.510 -12.762 1.00 0.00 C ATOM 1360 O ALA A 87 19.270 6.416 -13.551 1.00 0.00 O ATOM 1361 CB ALA A 87 21.527 4.017 -13.036 1.00 0.00 C ATOM 0 H ALA A 87 21.343 4.043 -10.630 1.00 0.00 H new ATOM 0 HA ALA A 87 21.540 6.132 -12.541 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.477 4.181 -14.112 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.565 3.865 -12.740 1.00 0.00 H new ATOM 0 HB3 ALA A 87 20.943 3.134 -12.776 1.00 0.00 H new ATOM 1367 N LEU A 88 18.555 4.731 -12.257 1.00 0.00 N ATOM 1368 CA LEU A 88 17.146 4.769 -12.675 1.00 0.00 C ATOM 1369 C LEU A 88 16.347 5.854 -11.941 1.00 0.00 C ATOM 1370 O LEU A 88 15.337 6.336 -12.453 1.00 0.00 O ATOM 1371 CB LEU A 88 16.526 3.372 -12.475 1.00 0.00 C ATOM 1372 CG LEU A 88 17.294 2.181 -13.074 1.00 0.00 C ATOM 1373 CD1 LEU A 88 16.476 0.923 -12.865 1.00 0.00 C ATOM 1374 CD2 LEU A 88 17.546 2.347 -14.567 1.00 0.00 C ATOM 0 H LEU A 88 18.736 4.040 -11.529 1.00 0.00 H new ATOM 0 HA LEU A 88 17.104 5.035 -13.731 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.414 3.200 -11.405 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.524 3.380 -12.904 1.00 0.00 H new ATOM 0 HG LEU A 88 18.260 2.123 -12.573 1.00 0.00 H new ATOM 0 HD11 LEU A 88 17.008 0.069 -13.285 1.00 0.00 H new ATOM 0 HD12 LEU A 88 16.319 0.764 -11.798 1.00 0.00 H new ATOM 0 HD13 LEU A 88 15.512 1.029 -13.362 1.00 0.00 H new ATOM 0 HD21 LEU A 88 18.091 1.481 -14.943 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.593 2.431 -15.090 1.00 0.00 H new ATOM 0 HD23 LEU A 88 18.135 3.248 -14.739 1.00 0.00 H new ATOM 1386 N ASN A 89 16.836 6.287 -10.779 1.00 0.00 N ATOM 1387 CA ASN A 89 16.245 7.318 -9.919 1.00 0.00 C ATOM 1388 C ASN A 89 16.141 8.696 -10.592 1.00 0.00 C ATOM 1389 O ASN A 89 15.236 9.456 -10.263 1.00 0.00 O ATOM 1390 CB ASN A 89 17.043 7.367 -8.599 1.00 0.00 C ATOM 1391 CG ASN A 89 16.380 6.601 -7.470 1.00 0.00 C ATOM 1392 OD1 ASN A 89 15.409 7.032 -6.867 1.00 0.00 O ATOM 1393 ND2 ASN A 89 16.903 5.448 -7.159 1.00 0.00 N ATOM 0 H ASN A 89 17.700 5.910 -10.390 1.00 0.00 H new ATOM 0 HA ASN A 89 15.210 7.044 -9.714 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.040 6.960 -8.769 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.171 8.407 -8.298 1.00 0.00 H new ATOM 0 HD21 ASN A 89 16.501 4.893 -6.403 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.714 5.101 -7.671 1.00 0.00 H new ATOM 1400 N ARG A 90 16.996 8.995 -11.580 1.00 0.00 N ATOM 1401 CA ARG A 90 16.928 10.212 -12.426 1.00 0.00 C ATOM 1402 C ARG A 90 16.377 9.964 -13.849 1.00 0.00 C ATOM 1403 O ARG A 90 16.154 10.913 -14.598 1.00 0.00 O ATOM 1404 CB ARG A 90 18.315 10.890 -12.385 1.00 0.00 C ATOM 1405 CG ARG A 90 18.284 12.374 -12.789 1.00 0.00 C ATOM 1406 CD ARG A 90 19.618 13.065 -12.479 1.00 0.00 C ATOM 1407 NE ARG A 90 19.562 14.503 -12.814 1.00 0.00 N ATOM 1408 CZ ARG A 90 20.453 15.428 -12.499 1.00 0.00 C ATOM 1409 NH1 ARG A 90 21.546 15.145 -11.844 1.00 0.00 N ATOM 1410 NH2 ARG A 90 20.261 16.670 -12.838 1.00 0.00 N ATOM 0 H ARG A 90 17.777 8.386 -11.825 1.00 0.00 H new ATOM 0 HA ARG A 90 16.185 10.897 -12.017 1.00 0.00 H new ATOM 0 HB2 ARG A 90 18.723 10.804 -11.378 1.00 0.00 H new ATOM 0 HB3 ARG A 90 18.992 10.354 -13.050 1.00 0.00 H new ATOM 0 HG2 ARG A 90 18.067 12.459 -13.854 1.00 0.00 H new ATOM 0 HG3 ARG A 90 17.478 12.881 -12.258 1.00 0.00 H new ATOM 0 HD2 ARG A 90 19.857 12.943 -11.423 1.00 0.00 H new ATOM 0 HD3 ARG A 90 20.419 12.588 -13.044 1.00 0.00 H new ATOM 0 HE ARG A 90 18.749 14.816 -13.345 1.00 0.00 H new ATOM 0 HH11 ARG A 90 21.735 14.184 -11.558 1.00 0.00 H new ATOM 0 HH12 ARG A 90 22.211 15.885 -11.618 1.00 0.00 H new ATOM 0 HH21 ARG A 90 19.419 16.935 -13.350 1.00 0.00 H new ATOM 0 HH22 ARG A 90 20.952 17.379 -12.592 1.00 0.00 H new ATOM 1424 N ARG A 91 16.106 8.697 -14.205 1.00 0.00 N ATOM 1425 CA ARG A 91 15.513 8.280 -15.502 1.00 0.00 C ATOM 1426 C ARG A 91 13.985 8.232 -15.457 1.00 0.00 C ATOM 1427 O ARG A 91 13.317 8.844 -16.286 1.00 0.00 O ATOM 1428 CB ARG A 91 16.041 6.895 -15.927 1.00 0.00 C ATOM 1429 CG ARG A 91 17.523 6.862 -16.316 1.00 0.00 C ATOM 1430 CD ARG A 91 18.004 5.406 -16.487 1.00 0.00 C ATOM 1431 NE ARG A 91 18.525 5.160 -17.850 1.00 0.00 N ATOM 1432 CZ ARG A 91 17.909 4.621 -18.891 1.00 0.00 C ATOM 1433 NH1 ARG A 91 16.680 4.187 -18.838 1.00 0.00 N ATOM 1434 NH2 ARG A 91 18.532 4.508 -20.028 1.00 0.00 N ATOM 0 H ARG A 91 16.296 7.908 -13.587 1.00 0.00 H new ATOM 0 HA ARG A 91 15.812 9.034 -16.230 1.00 0.00 H new ATOM 0 HB2 ARG A 91 15.879 6.194 -15.108 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.450 6.541 -16.772 1.00 0.00 H new ATOM 0 HG2 ARG A 91 17.674 7.413 -17.245 1.00 0.00 H new ATOM 0 HG3 ARG A 91 18.117 7.360 -15.550 1.00 0.00 H new ATOM 0 HD2 ARG A 91 18.783 5.191 -15.755 1.00 0.00 H new ATOM 0 HD3 ARG A 91 17.179 4.724 -16.284 1.00 0.00 H new ATOM 0 HE ARG A 91 19.491 5.445 -18.010 1.00 0.00 H new ATOM 0 HH11 ARG A 91 16.152 4.256 -17.968 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.247 3.779 -19.667 1.00 0.00 H new ATOM 0 HH21 ARG A 91 19.494 4.834 -20.117 1.00 0.00 H new ATOM 0 HH22 ARG A 91 18.058 4.093 -20.830 1.00 0.00 H new ATOM 1448 N GLN A 92 13.454 7.455 -14.504 1.00 0.00 N ATOM 1449 CA GLN A 92 12.034 7.052 -14.470 1.00 0.00 C ATOM 1450 C GLN A 92 11.402 7.023 -13.074 1.00 0.00 C ATOM 1451 O GLN A 92 10.257 7.439 -12.915 1.00 0.00 O ATOM 1452 CB GLN A 92 11.867 5.692 -15.173 1.00 0.00 C ATOM 1453 CG GLN A 92 12.803 4.560 -14.696 1.00 0.00 C ATOM 1454 CD GLN A 92 12.348 3.200 -15.221 1.00 0.00 C ATOM 1455 OE1 GLN A 92 12.877 2.668 -16.187 1.00 0.00 O ATOM 1456 NE2 GLN A 92 11.344 2.598 -14.614 1.00 0.00 N ATOM 0 H GLN A 92 13.999 7.083 -13.726 1.00 0.00 H new ATOM 0 HA GLN A 92 11.488 7.830 -15.004 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.836 5.363 -15.042 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.022 5.837 -16.242 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.820 4.760 -15.034 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.827 4.541 -13.606 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.899 3.036 -13.808 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.013 1.694 -14.951 1.00 0.00 H new ATOM 1465 N ILE A 93 12.150 6.600 -12.043 1.00 0.00 N ATOM 1466 CA ILE A 93 11.617 6.523 -10.661 1.00 0.00 C ATOM 1467 C ILE A 93 11.386 7.937 -10.090 1.00 0.00 C ATOM 1468 O ILE A 93 10.585 8.122 -9.182 1.00 0.00 O ATOM 1469 CB ILE A 93 12.491 5.632 -9.731 1.00 0.00 C ATOM 1470 CG1 ILE A 93 13.046 4.369 -10.442 1.00 0.00 C ATOM 1471 CG2 ILE A 93 11.657 5.212 -8.509 1.00 0.00 C ATOM 1472 CD1 ILE A 93 13.900 3.440 -9.564 1.00 0.00 C ATOM 0 H ILE A 93 13.123 6.306 -12.133 1.00 0.00 H new ATOM 0 HA ILE A 93 10.648 6.025 -10.706 1.00 0.00 H new ATOM 0 HB ILE A 93 13.353 6.227 -9.429 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.207 3.797 -10.837 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.645 4.687 -11.295 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.263 4.587 -7.852 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.333 6.100 -7.967 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.784 4.650 -8.840 1.00 0.00 H new ATOM 0 HD11 ILE A 93 14.238 2.589 -10.156 1.00 0.00 H new ATOM 0 HD12 ILE A 93 14.765 3.987 -9.189 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.304 3.084 -8.724 1.00 0.00 H new