USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 651 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 71 SER OG : rot -44:sc= 0.677 USER MOD Set 1.2: A 72 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 15 THR OG1 : rot 97:sc= 0.923 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 35:sc= 0.669 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -38:sc= 0.461 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.329 USER MOD Single : A 37 SER OG : rot -10:sc= -0.123 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -29:sc= 0.385 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0204 USER MOD Single : A 63 GLN : amide:sc= -0.0701 X(o=-0.07,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= -0.0205 (180deg=-0.307) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0253 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -7.32! C(o=-7.3!,f=-27!) USER MOD Single : A 80 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.074) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 54 N PRO A 4 -0.981 -3.238 -0.382 1.00 0.00 N ATOM 55 CA PRO A 4 -0.935 -4.108 0.832 1.00 0.00 C ATOM 56 C PRO A 4 0.481 -4.261 1.389 1.00 0.00 C ATOM 57 O PRO A 4 0.678 -4.817 2.470 1.00 0.00 O ATOM 58 CB PRO A 4 -1.469 -5.456 0.323 1.00 0.00 C ATOM 59 CG PRO A 4 -2.355 -5.124 -0.836 1.00 0.00 C ATOM 60 CD PRO A 4 -1.832 -3.810 -1.439 1.00 0.00 C ATOM 0 HA PRO A 4 -1.514 -3.690 1.656 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -0.653 -6.111 0.018 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.023 -5.978 1.103 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -2.336 -5.923 -1.577 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.390 -5.015 -0.512 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.265 -3.989 -2.353 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.650 -3.138 -1.698 1.00 0.00 H new ATOM 68 N LYS A 5 1.464 -3.764 0.641 1.00 0.00 N ATOM 69 CA LYS A 5 2.854 -3.846 1.064 1.00 0.00 C ATOM 70 C LYS A 5 3.087 -3.041 2.339 1.00 0.00 C ATOM 71 O LYS A 5 3.866 -3.450 3.201 1.00 0.00 O ATOM 72 CB LYS A 5 3.772 -3.323 -0.043 1.00 0.00 C ATOM 73 CG LYS A 5 5.234 -3.475 0.388 1.00 0.00 C ATOM 74 CD LYS A 5 6.159 -3.068 -0.764 1.00 0.00 C ATOM 75 CE LYS A 5 7.612 -3.022 -0.272 1.00 0.00 C ATOM 76 NZ LYS A 5 7.865 -1.710 0.386 1.00 0.00 N ATOM 0 H LYS A 5 1.321 -3.302 -0.257 1.00 0.00 H new ATOM 0 HA LYS A 5 3.083 -4.892 1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.595 -3.874 -0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.550 -2.276 -0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.432 -2.854 1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.432 -4.507 0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.066 -3.778 -1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.865 -2.092 -1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.797 -3.836 0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.296 -3.161 -1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.849 -1.674 0.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.703 -0.942 -0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.220 -1.596 1.194 1.00 0.00 H new ATOM 90 N THR A 6 2.415 -1.893 2.452 1.00 0.00 N ATOM 91 CA THR A 6 2.561 -1.031 3.627 1.00 0.00 C ATOM 92 C THR A 6 1.335 -1.128 4.532 1.00 0.00 C ATOM 93 O THR A 6 1.419 -0.858 5.729 1.00 0.00 O ATOM 94 CB THR A 6 2.750 0.423 3.188 1.00 0.00 C ATOM 95 OG1 THR A 6 3.749 0.485 2.181 1.00 0.00 O ATOM 96 CG2 THR A 6 3.179 1.267 4.388 1.00 0.00 C ATOM 0 H THR A 6 1.767 -1.540 1.748 1.00 0.00 H new ATOM 0 HA THR A 6 3.436 -1.366 4.184 1.00 0.00 H new ATOM 0 HB THR A 6 1.811 0.809 2.792 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.870 1.415 1.897 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.314 2.302 4.075 1.00 0.00 H new ATOM 0 HG22 THR A 6 2.411 1.218 5.160 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.119 0.883 4.786 1.00 0.00 H new ATOM 104 N LEU A 7 0.197 -1.505 3.958 1.00 0.00 N ATOM 105 CA LEU A 7 -1.033 -1.616 4.737 1.00 0.00 C ATOM 106 C LEU A 7 -0.873 -2.670 5.837 1.00 0.00 C ATOM 107 O LEU A 7 -1.148 -2.417 7.008 1.00 0.00 O ATOM 108 CB LEU A 7 -2.202 -2.005 3.807 1.00 0.00 C ATOM 109 CG LEU A 7 -3.529 -1.463 4.365 1.00 0.00 C ATOM 110 CD1 LEU A 7 -4.672 -1.817 3.410 1.00 0.00 C ATOM 111 CD2 LEU A 7 -3.806 -2.078 5.743 1.00 0.00 C ATOM 0 H LEU A 7 0.100 -1.736 2.969 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.244 -0.653 5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.029 -1.606 2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.255 -3.090 3.712 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.458 -0.380 4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.611 -1.432 3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.482 -1.371 2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.738 -2.900 3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.747 -1.690 6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.871 -3.162 5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.997 -1.820 6.426 1.00 0.00 H new ATOM 123 N LEU A 8 -0.419 -3.854 5.444 1.00 0.00 N ATOM 124 CA LEU A 8 -0.233 -4.941 6.397 1.00 0.00 C ATOM 125 C LEU A 8 0.875 -4.605 7.396 1.00 0.00 C ATOM 126 O LEU A 8 1.066 -5.314 8.382 1.00 0.00 O ATOM 127 CB LEU A 8 0.099 -6.259 5.644 1.00 0.00 C ATOM 128 CG LEU A 8 -0.774 -7.413 6.165 1.00 0.00 C ATOM 129 CD1 LEU A 8 -0.546 -8.662 5.314 1.00 0.00 C ATOM 130 CD2 LEU A 8 -0.400 -7.716 7.620 1.00 0.00 C ATOM 0 H LEU A 8 -0.175 -4.085 4.481 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.161 -5.075 6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.066 -6.125 4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.153 -6.504 5.776 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.823 -7.124 6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.167 -9.476 5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.811 -8.450 4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.503 -8.952 5.368 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.017 -8.534 7.992 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.651 -8.001 7.674 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.567 -6.829 8.231 1.00 0.00 H new ATOM 142 N ARG A 9 1.602 -3.528 7.128 1.00 0.00 N ATOM 143 CA ARG A 9 2.690 -3.126 8.008 1.00 0.00 C ATOM 144 C ARG A 9 2.166 -2.815 9.405 1.00 0.00 C ATOM 145 O ARG A 9 2.922 -2.827 10.376 1.00 0.00 O ATOM 146 CB ARG A 9 3.400 -1.886 7.445 1.00 0.00 C ATOM 147 CG ARG A 9 4.780 -1.687 8.143 1.00 0.00 C ATOM 148 CD ARG A 9 5.910 -1.859 7.119 1.00 0.00 C ATOM 149 NE ARG A 9 5.728 -3.108 6.389 1.00 0.00 N ATOM 150 CZ ARG A 9 6.324 -3.312 5.218 1.00 0.00 C ATOM 151 NH1 ARG A 9 7.082 -2.384 4.702 1.00 0.00 N ATOM 152 NH2 ARG A 9 6.149 -4.439 4.584 1.00 0.00 N ATOM 0 H ARG A 9 1.460 -2.924 6.318 1.00 0.00 H new ATOM 0 HA ARG A 9 3.397 -3.953 8.069 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.542 -1.997 6.370 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.778 -1.003 7.595 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.831 -0.695 8.592 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.896 -2.409 8.951 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.915 -1.019 6.425 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.875 -1.860 7.625 1.00 0.00 H new ATOM 0 HE ARG A 9 5.134 -3.837 6.783 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.217 -1.502 5.197 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.539 -2.540 3.804 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.555 -5.164 4.987 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.606 -4.595 3.686 1.00 0.00 H new ATOM 166 N VAL A 10 0.868 -2.540 9.500 1.00 0.00 N ATOM 167 CA VAL A 10 0.256 -2.229 10.785 1.00 0.00 C ATOM 168 C VAL A 10 0.647 -3.280 11.823 1.00 0.00 C ATOM 169 O VAL A 10 0.820 -2.967 13.001 1.00 0.00 O ATOM 170 CB VAL A 10 -1.272 -2.177 10.640 1.00 0.00 C ATOM 171 CG1 VAL A 10 -1.923 -2.102 12.026 1.00 0.00 C ATOM 172 CG2 VAL A 10 -1.663 -0.937 9.831 1.00 0.00 C ATOM 0 H VAL A 10 0.225 -2.526 8.708 1.00 0.00 H new ATOM 0 HA VAL A 10 0.614 -1.255 11.119 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.615 -3.076 10.128 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.007 -2.065 11.917 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.646 -2.982 12.606 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.579 -1.205 12.541 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.747 -0.898 9.727 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.315 -0.042 10.347 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.205 -0.988 8.843 1.00 0.00 H new ATOM 182 N SER A 11 0.766 -4.528 11.389 1.00 0.00 N ATOM 183 CA SER A 11 1.118 -5.606 12.303 1.00 0.00 C ATOM 184 C SER A 11 2.491 -5.383 12.942 1.00 0.00 C ATOM 185 O SER A 11 2.630 -5.420 14.161 1.00 0.00 O ATOM 186 CB SER A 11 1.130 -6.934 11.543 1.00 0.00 C ATOM 187 OG SER A 11 1.839 -7.904 12.303 1.00 0.00 O ATOM 0 H SER A 11 0.626 -4.817 10.421 1.00 0.00 H new ATOM 0 HA SER A 11 0.372 -5.626 13.098 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.110 -7.272 11.362 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.600 -6.804 10.568 1.00 0.00 H new ATOM 0 HG SER A 11 1.847 -8.756 11.819 1.00 0.00 H new ATOM 193 N ILE A 12 3.505 -5.153 12.111 1.00 0.00 N ATOM 194 CA ILE A 12 4.862 -4.947 12.620 1.00 0.00 C ATOM 195 C ILE A 12 4.933 -3.733 13.549 1.00 0.00 C ATOM 196 O ILE A 12 5.377 -3.846 14.690 1.00 0.00 O ATOM 197 CB ILE A 12 5.825 -4.740 11.444 1.00 0.00 C ATOM 198 CG1 ILE A 12 5.759 -5.951 10.506 1.00 0.00 C ATOM 199 CG2 ILE A 12 7.260 -4.582 11.964 1.00 0.00 C ATOM 200 CD1 ILE A 12 6.522 -5.648 9.212 1.00 0.00 C ATOM 0 H ILE A 12 3.417 -5.105 11.096 1.00 0.00 H new ATOM 0 HA ILE A 12 5.146 -5.832 13.190 1.00 0.00 H new ATOM 0 HB ILE A 12 5.535 -3.839 10.903 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.188 -6.825 10.996 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.720 -6.190 10.279 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.938 -4.435 11.123 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.314 -3.719 12.628 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.550 -5.479 12.511 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.472 -6.512 8.549 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.074 -4.786 8.719 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.564 -5.431 9.446 1.00 0.00 H new ATOM 212 N ILE A 13 4.490 -2.583 13.057 1.00 0.00 N ATOM 213 CA ILE A 13 4.517 -1.361 13.857 1.00 0.00 C ATOM 214 C ILE A 13 3.588 -1.488 15.061 1.00 0.00 C ATOM 215 O ILE A 13 3.922 -1.053 16.163 1.00 0.00 O ATOM 216 CB ILE A 13 4.093 -0.160 12.992 1.00 0.00 C ATOM 217 CG1 ILE A 13 2.664 -0.393 12.430 1.00 0.00 C ATOM 218 CG2 ILE A 13 5.088 0.001 11.836 1.00 0.00 C ATOM 219 CD1 ILE A 13 1.620 0.338 13.291 1.00 0.00 C ATOM 0 H ILE A 13 4.111 -2.469 12.117 1.00 0.00 H new ATOM 0 HA ILE A 13 5.533 -1.204 14.218 1.00 0.00 H new ATOM 0 HB ILE A 13 4.089 0.745 13.599 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.609 -0.037 11.401 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.444 -1.460 12.410 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.794 0.850 11.219 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.087 0.172 12.237 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.091 -0.905 11.230 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.625 0.163 12.882 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.664 -0.038 14.313 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.831 1.407 13.289 1.00 0.00 H new ATOM 231 N GLY A 14 2.413 -2.076 14.839 1.00 0.00 N ATOM 232 CA GLY A 14 1.437 -2.253 15.911 1.00 0.00 C ATOM 233 C GLY A 14 1.919 -3.282 16.928 1.00 0.00 C ATOM 234 O GLY A 14 1.723 -3.120 18.133 1.00 0.00 O ATOM 0 H GLY A 14 2.116 -2.436 13.932 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.262 -1.299 16.409 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.484 -2.572 15.490 1.00 0.00 H new ATOM 238 N THR A 15 2.547 -4.341 16.430 1.00 0.00 N ATOM 239 CA THR A 15 3.056 -5.399 17.294 1.00 0.00 C ATOM 240 C THR A 15 4.306 -4.934 18.025 1.00 0.00 C ATOM 241 O THR A 15 4.729 -5.543 19.008 1.00 0.00 O ATOM 242 CB THR A 15 3.389 -6.650 16.473 1.00 0.00 C ATOM 243 OG1 THR A 15 2.232 -7.072 15.764 1.00 0.00 O ATOM 244 CG2 THR A 15 3.850 -7.775 17.407 1.00 0.00 C ATOM 0 H THR A 15 2.716 -4.489 15.435 1.00 0.00 H new ATOM 0 HA THR A 15 2.281 -5.641 18.021 1.00 0.00 H new ATOM 0 HB THR A 15 4.187 -6.416 15.768 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.261 -6.718 14.850 1.00 0.00 H new ATOM 0 HG21 THR A 15 4.086 -8.662 16.819 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.738 -7.454 17.952 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.055 -8.009 18.115 1.00 0.00 H new ATOM 252 N THR A 16 4.898 -3.854 17.530 1.00 0.00 N ATOM 253 CA THR A 16 6.103 -3.316 18.139 1.00 0.00 C ATOM 254 C THR A 16 5.767 -2.631 19.458 1.00 0.00 C ATOM 255 O THR A 16 6.458 -2.820 20.458 1.00 0.00 O ATOM 256 CB THR A 16 6.772 -2.313 17.189 1.00 0.00 C ATOM 257 OG1 THR A 16 7.123 -2.974 15.982 1.00 0.00 O ATOM 258 CG2 THR A 16 8.037 -1.742 17.839 1.00 0.00 C ATOM 0 H THR A 16 4.565 -3.339 16.715 1.00 0.00 H new ATOM 0 HA THR A 16 6.792 -4.138 18.332 1.00 0.00 H new ATOM 0 HB THR A 16 6.078 -1.499 16.978 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.445 -3.650 15.770 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.506 -1.031 17.159 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.772 -1.236 18.767 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.733 -2.553 18.054 1.00 0.00 H new ATOM 266 N LEU A 17 4.706 -1.827 19.448 1.00 0.00 N ATOM 267 CA LEU A 17 4.297 -1.114 20.649 1.00 0.00 C ATOM 268 C LEU A 17 3.776 -2.085 21.703 1.00 0.00 C ATOM 269 O LEU A 17 4.132 -1.990 22.872 1.00 0.00 O ATOM 270 CB LEU A 17 3.202 -0.100 20.305 1.00 0.00 C ATOM 271 CG LEU A 17 3.649 0.757 19.113 1.00 0.00 C ATOM 272 CD1 LEU A 17 2.531 1.740 18.743 1.00 0.00 C ATOM 273 CD2 LEU A 17 4.920 1.539 19.482 1.00 0.00 C ATOM 0 H LEU A 17 4.122 -1.656 18.630 1.00 0.00 H new ATOM 0 HA LEU A 17 5.166 -0.593 21.051 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.274 -0.619 20.065 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.998 0.536 21.166 1.00 0.00 H new ATOM 0 HG LEU A 17 3.861 0.109 18.263 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.848 2.349 17.896 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.632 1.185 18.475 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.318 2.386 19.595 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.233 2.146 18.632 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.714 2.187 20.334 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.715 0.840 19.741 1.00 0.00 H new ATOM 285 N VAL A 18 2.937 -3.026 21.272 1.00 0.00 N ATOM 286 CA VAL A 18 2.374 -4.017 22.182 1.00 0.00 C ATOM 287 C VAL A 18 3.475 -4.895 22.762 1.00 0.00 C ATOM 288 O VAL A 18 3.461 -5.221 23.948 1.00 0.00 O ATOM 289 CB VAL A 18 1.346 -4.894 21.450 1.00 0.00 C ATOM 290 CG1 VAL A 18 0.940 -6.074 22.343 1.00 0.00 C ATOM 291 CG2 VAL A 18 0.107 -4.059 21.118 1.00 0.00 C ATOM 0 H VAL A 18 2.634 -3.121 20.303 1.00 0.00 H new ATOM 0 HA VAL A 18 1.877 -3.488 22.995 1.00 0.00 H new ATOM 0 HB VAL A 18 1.789 -5.274 20.530 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.211 -6.693 21.819 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.821 -6.672 22.579 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.500 -5.697 23.266 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.622 -4.681 20.599 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.332 -3.677 22.040 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.392 -3.223 20.479 1.00 0.00 H new ATOM 301 N ALA A 19 4.418 -5.281 21.918 1.00 0.00 N ATOM 302 CA ALA A 19 5.512 -6.125 22.366 1.00 0.00 C ATOM 303 C ALA A 19 6.319 -5.416 23.442 1.00 0.00 C ATOM 304 O ALA A 19 6.507 -5.936 24.543 1.00 0.00 O ATOM 305 CB ALA A 19 6.415 -6.462 21.177 1.00 0.00 C ATOM 0 H ALA A 19 4.448 -5.027 20.931 1.00 0.00 H new ATOM 0 HA ALA A 19 5.103 -7.044 22.786 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.236 -7.095 21.512 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.836 -6.989 20.419 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.816 -5.542 20.753 1.00 0.00 H new ATOM 311 N LEU A 20 6.793 -4.224 23.110 1.00 0.00 N ATOM 312 CA LEU A 20 7.584 -3.431 24.040 1.00 0.00 C ATOM 313 C LEU A 20 6.753 -3.005 25.244 1.00 0.00 C ATOM 314 O LEU A 20 7.261 -2.933 26.363 1.00 0.00 O ATOM 315 CB LEU A 20 8.132 -2.185 23.341 1.00 0.00 C ATOM 316 CG LEU A 20 9.143 -2.600 22.256 1.00 0.00 C ATOM 317 CD1 LEU A 20 9.444 -1.401 21.339 1.00 0.00 C ATOM 318 CD2 LEU A 20 10.451 -3.083 22.914 1.00 0.00 C ATOM 0 H LEU A 20 6.643 -3.784 22.202 1.00 0.00 H new ATOM 0 HA LEU A 20 8.410 -4.052 24.385 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.315 -1.619 22.893 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.613 -1.530 24.068 1.00 0.00 H new ATOM 0 HG LEU A 20 8.716 -3.411 21.666 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.160 -1.699 20.573 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.522 -1.066 20.864 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.864 -0.587 21.930 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.161 -3.375 22.140 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.877 -2.277 23.512 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.241 -3.939 23.555 1.00 0.00 H new ATOM 330 N SER A 21 5.477 -2.712 25.012 1.00 0.00 N ATOM 331 CA SER A 21 4.596 -2.284 26.088 1.00 0.00 C ATOM 332 C SER A 21 4.400 -3.400 27.106 1.00 0.00 C ATOM 333 O SER A 21 4.246 -3.143 28.290 1.00 0.00 O ATOM 334 CB SER A 21 3.240 -1.864 25.517 1.00 0.00 C ATOM 335 OG SER A 21 2.392 -1.440 26.575 1.00 0.00 O ATOM 0 H SER A 21 5.034 -2.763 24.094 1.00 0.00 H new ATOM 0 HA SER A 21 5.058 -1.434 26.590 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.371 -1.057 24.796 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.784 -2.698 24.983 1.00 0.00 H new ATOM 0 HG SER A 21 1.524 -1.169 26.210 1.00 0.00 H new ATOM 341 N SER A 22 4.405 -4.641 26.627 1.00 0.00 N ATOM 342 CA SER A 22 4.214 -5.795 27.510 1.00 0.00 C ATOM 343 C SER A 22 5.155 -5.736 28.718 1.00 0.00 C ATOM 344 O SER A 22 5.106 -6.602 29.592 1.00 0.00 O ATOM 345 CB SER A 22 4.452 -7.092 26.739 1.00 0.00 C ATOM 346 OG SER A 22 4.041 -8.195 27.537 1.00 0.00 O ATOM 0 H SER A 22 4.538 -4.875 25.643 1.00 0.00 H new ATOM 0 HA SER A 22 3.187 -5.769 27.874 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.895 -7.079 25.802 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.507 -7.187 26.482 1.00 0.00 H new ATOM 0 HG SER A 22 4.278 -8.028 28.473 1.00 0.00 H new ATOM 352 N PHE A 23 6.014 -4.716 28.762 1.00 0.00 N ATOM 353 CA PHE A 23 6.958 -4.549 29.871 1.00 0.00 C ATOM 354 C PHE A 23 6.706 -3.228 30.591 1.00 0.00 C ATOM 355 O PHE A 23 7.018 -3.087 31.769 1.00 0.00 O ATOM 356 CB PHE A 23 8.390 -4.595 29.344 1.00 0.00 C ATOM 357 CG PHE A 23 8.721 -6.006 28.915 1.00 0.00 C ATOM 358 CD1 PHE A 23 8.859 -7.013 29.879 1.00 0.00 C ATOM 359 CD2 PHE A 23 8.890 -6.308 27.558 1.00 0.00 C ATOM 360 CE1 PHE A 23 9.169 -8.320 29.486 1.00 0.00 C ATOM 361 CE2 PHE A 23 9.198 -7.616 27.165 1.00 0.00 C ATOM 362 CZ PHE A 23 9.338 -8.621 28.129 1.00 0.00 C ATOM 0 H PHE A 23 6.076 -3.994 28.044 1.00 0.00 H new ATOM 0 HA PHE A 23 6.813 -5.363 30.581 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.502 -3.911 28.502 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.085 -4.265 30.117 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.726 -6.781 30.925 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.783 -5.532 26.815 1.00 0.00 H new ATOM 0 HE1 PHE A 23 9.278 -9.096 30.229 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.327 -7.849 26.118 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.577 -9.630 27.826 1.00 0.00 H new ATOM 372 N THR A 24 6.132 -2.262 29.876 1.00 0.00 N ATOM 373 CA THR A 24 5.842 -0.954 30.465 1.00 0.00 C ATOM 374 C THR A 24 5.142 -1.086 31.846 1.00 0.00 C ATOM 375 O THR A 24 5.528 -0.399 32.791 1.00 0.00 O ATOM 376 CB THR A 24 4.960 -0.117 29.514 1.00 0.00 C ATOM 377 OG1 THR A 24 5.644 0.123 28.293 1.00 0.00 O ATOM 378 CG2 THR A 24 4.604 1.218 30.172 1.00 0.00 C ATOM 0 H THR A 24 5.860 -2.357 28.897 1.00 0.00 H new ATOM 0 HA THR A 24 6.796 -0.449 30.615 1.00 0.00 H new ATOM 0 HB THR A 24 4.046 -0.673 29.307 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.074 0.653 27.698 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.982 1.803 29.495 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.059 1.033 31.098 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.518 1.770 30.393 1.00 0.00 H new ATOM 386 N PRO A 25 4.117 -1.941 31.985 1.00 0.00 N ATOM 387 CA PRO A 25 3.365 -2.103 33.270 1.00 0.00 C ATOM 388 C PRO A 25 4.290 -2.256 34.480 1.00 0.00 C ATOM 389 O PRO A 25 3.950 -1.827 35.576 1.00 0.00 O ATOM 390 CB PRO A 25 2.526 -3.375 33.044 1.00 0.00 C ATOM 391 CG PRO A 25 2.346 -3.473 31.562 1.00 0.00 C ATOM 392 CD PRO A 25 3.586 -2.840 30.928 1.00 0.00 C ATOM 0 HA PRO A 25 2.762 -1.225 33.500 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.034 -4.256 33.437 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.565 -3.307 33.553 1.00 0.00 H new ATOM 0 HG2 PRO A 25 2.241 -4.513 31.252 1.00 0.00 H new ATOM 0 HG3 PRO A 25 1.441 -2.953 31.246 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.318 -3.596 30.644 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.332 -2.286 30.024 1.00 0.00 H new ATOM 400 N VAL A 26 5.452 -2.874 34.280 1.00 0.00 N ATOM 401 CA VAL A 26 6.402 -3.072 35.375 1.00 0.00 C ATOM 402 C VAL A 26 6.628 -1.759 36.134 1.00 0.00 C ATOM 403 O VAL A 26 6.590 -1.737 37.364 1.00 0.00 O ATOM 404 CB VAL A 26 7.742 -3.589 34.817 1.00 0.00 C ATOM 405 CG1 VAL A 26 8.502 -2.442 34.136 1.00 0.00 C ATOM 406 CG2 VAL A 26 8.593 -4.150 35.960 1.00 0.00 C ATOM 0 H VAL A 26 5.758 -3.243 33.380 1.00 0.00 H new ATOM 0 HA VAL A 26 5.990 -3.808 36.065 1.00 0.00 H new ATOM 0 HB VAL A 26 7.543 -4.375 34.088 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.448 -2.815 33.744 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.902 -2.043 33.318 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.696 -1.652 34.862 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.540 -4.515 35.563 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.785 -3.364 36.691 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.061 -4.971 36.441 1.00 0.00 H new ATOM 416 N LEU A 27 6.864 -0.672 35.403 1.00 0.00 N ATOM 417 CA LEU A 27 7.086 0.623 36.035 1.00 0.00 C ATOM 418 C LEU A 27 5.829 1.073 36.778 1.00 0.00 C ATOM 419 O LEU A 27 5.900 1.484 37.936 1.00 0.00 O ATOM 420 CB LEU A 27 7.467 1.657 34.964 1.00 0.00 C ATOM 421 CG LEU A 27 8.966 1.524 34.604 1.00 0.00 C ATOM 422 CD1 LEU A 27 9.204 2.038 33.180 1.00 0.00 C ATOM 423 CD2 LEU A 27 9.816 2.349 35.584 1.00 0.00 C ATOM 0 H LEU A 27 6.906 -0.662 34.384 1.00 0.00 H new ATOM 0 HA LEU A 27 7.899 0.534 36.755 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.857 1.510 34.073 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.261 2.663 35.329 1.00 0.00 H new ATOM 0 HG LEU A 27 9.252 0.474 34.669 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.261 1.943 32.931 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.611 1.452 32.478 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.910 3.086 33.117 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.870 2.250 35.324 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.524 3.398 35.525 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.657 1.985 36.599 1.00 0.00 H new ATOM 435 N VAL A 28 4.687 0.986 36.108 1.00 0.00 N ATOM 436 CA VAL A 28 3.423 1.385 36.713 1.00 0.00 C ATOM 437 C VAL A 28 3.111 0.505 37.918 1.00 0.00 C ATOM 438 O VAL A 28 2.672 0.994 38.958 1.00 0.00 O ATOM 439 CB VAL A 28 2.290 1.280 35.691 1.00 0.00 C ATOM 440 CG1 VAL A 28 0.959 1.625 36.365 1.00 0.00 C ATOM 441 CG2 VAL A 28 2.549 2.256 34.540 1.00 0.00 C ATOM 0 H VAL A 28 4.610 0.644 35.150 1.00 0.00 H new ATOM 0 HA VAL A 28 3.511 2.420 37.043 1.00 0.00 H new ATOM 0 HB VAL A 28 2.246 0.263 35.302 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.152 1.550 35.636 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.775 0.929 37.184 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.002 2.642 36.756 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.742 2.182 33.811 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.594 3.273 34.929 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.496 2.009 34.059 1.00 0.00 H new ATOM 451 N ILE A 29 3.341 -0.794 37.767 1.00 0.00 N ATOM 452 CA ILE A 29 3.083 -1.737 38.845 1.00 0.00 C ATOM 453 C ILE A 29 3.971 -1.423 40.045 1.00 0.00 C ATOM 454 O ILE A 29 3.511 -1.451 41.188 1.00 0.00 O ATOM 455 CB ILE A 29 3.346 -3.172 38.367 1.00 0.00 C ATOM 456 CG1 ILE A 29 2.269 -3.579 37.354 1.00 0.00 C ATOM 457 CG2 ILE A 29 3.314 -4.133 39.562 1.00 0.00 C ATOM 458 CD1 ILE A 29 2.732 -4.820 36.586 1.00 0.00 C ATOM 0 H ILE A 29 3.704 -1.216 36.912 1.00 0.00 H new ATOM 0 HA ILE A 29 2.038 -1.646 39.143 1.00 0.00 H new ATOM 0 HB ILE A 29 4.328 -3.219 37.895 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.331 -3.786 37.869 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.079 -2.760 36.661 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.501 -5.150 39.216 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.082 -3.846 40.280 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.335 -4.087 40.040 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.966 -5.109 35.866 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.660 -4.597 36.059 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.900 -5.639 37.285 1.00 0.00 H new ATOM 470 N LEU A 30 5.243 -1.132 39.785 1.00 0.00 N ATOM 471 CA LEU A 30 6.178 -0.836 40.861 1.00 0.00 C ATOM 472 C LEU A 30 5.600 0.245 41.772 1.00 0.00 C ATOM 473 O LEU A 30 5.722 0.168 42.993 1.00 0.00 O ATOM 474 CB LEU A 30 7.530 -0.359 40.278 1.00 0.00 C ATOM 475 CG LEU A 30 8.700 -0.788 41.196 1.00 0.00 C ATOM 476 CD1 LEU A 30 8.433 -0.309 42.631 1.00 0.00 C ATOM 477 CD2 LEU A 30 8.850 -2.332 41.178 1.00 0.00 C ATOM 0 H LEU A 30 5.645 -1.095 38.848 1.00 0.00 H new ATOM 0 HA LEU A 30 6.342 -1.744 41.441 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.670 -0.777 39.281 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.524 0.726 40.171 1.00 0.00 H new ATOM 0 HG LEU A 30 9.623 -0.338 40.831 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.258 -0.612 43.275 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.345 0.777 42.641 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.506 -0.752 42.996 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.676 -2.625 41.827 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.928 -2.791 41.534 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.052 -2.666 40.160 1.00 0.00 H new ATOM 489 N LEU A 31 4.965 1.246 41.170 1.00 0.00 N ATOM 490 CA LEU A 31 4.379 2.330 41.945 1.00 0.00 C ATOM 491 C LEU A 31 3.335 1.766 42.906 1.00 0.00 C ATOM 492 O LEU A 31 3.242 2.191 44.055 1.00 0.00 O ATOM 493 CB LEU A 31 3.725 3.366 41.002 1.00 0.00 C ATOM 494 CG LEU A 31 3.750 4.765 41.646 1.00 0.00 C ATOM 495 CD1 LEU A 31 3.114 5.780 40.691 1.00 0.00 C ATOM 496 CD2 LEU A 31 2.973 4.752 42.976 1.00 0.00 C ATOM 0 H LEU A 31 4.845 1.328 40.160 1.00 0.00 H new ATOM 0 HA LEU A 31 5.164 2.825 42.517 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.255 3.387 40.050 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.697 3.075 40.788 1.00 0.00 H new ATOM 0 HG LEU A 31 4.785 5.046 41.843 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.132 6.770 41.147 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.675 5.801 39.756 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.082 5.492 40.489 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.998 5.746 43.422 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.938 4.463 42.790 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.432 4.037 43.659 1.00 0.00 H new ATOM 508 N GLY A 32 2.549 0.810 42.432 1.00 0.00 N ATOM 509 CA GLY A 32 1.528 0.201 43.268 1.00 0.00 C ATOM 510 C GLY A 32 2.161 -0.721 44.303 1.00 0.00 C ATOM 511 O GLY A 32 1.680 -0.826 45.431 1.00 0.00 O ATOM 0 H GLY A 32 2.598 0.443 41.482 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.951 0.977 43.770 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.832 -0.364 42.648 1.00 0.00 H new ATOM 515 N VAL A 33 3.237 -1.401 43.905 1.00 0.00 N ATOM 516 CA VAL A 33 3.912 -2.327 44.809 1.00 0.00 C ATOM 517 C VAL A 33 4.377 -1.598 46.069 1.00 0.00 C ATOM 518 O VAL A 33 4.082 -2.027 47.184 1.00 0.00 O ATOM 519 CB VAL A 33 5.130 -2.949 44.107 1.00 0.00 C ATOM 520 CG1 VAL A 33 6.001 -3.695 45.129 1.00 0.00 C ATOM 521 CG2 VAL A 33 4.653 -3.935 43.037 1.00 0.00 C ATOM 0 H VAL A 33 3.653 -1.329 42.977 1.00 0.00 H new ATOM 0 HA VAL A 33 3.208 -3.111 45.088 1.00 0.00 H new ATOM 0 HB VAL A 33 5.717 -2.156 43.644 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.862 -4.133 44.623 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.345 -2.997 45.892 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.415 -4.486 45.598 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.516 -4.377 42.539 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.062 -4.722 43.505 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.041 -3.409 42.304 1.00 0.00 H new ATOM 531 N VAL A 34 5.095 -0.490 45.882 1.00 0.00 N ATOM 532 CA VAL A 34 5.586 0.291 47.012 1.00 0.00 C ATOM 533 C VAL A 34 4.419 0.920 47.764 1.00 0.00 C ATOM 534 O VAL A 34 4.417 0.975 48.991 1.00 0.00 O ATOM 535 CB VAL A 34 6.543 1.385 46.529 1.00 0.00 C ATOM 536 CG1 VAL A 34 5.830 2.278 45.518 1.00 0.00 C ATOM 537 CG2 VAL A 34 6.995 2.229 47.721 1.00 0.00 C ATOM 0 H VAL A 34 5.347 -0.118 44.966 1.00 0.00 H new ATOM 0 HA VAL A 34 6.125 -0.376 47.685 1.00 0.00 H new ATOM 0 HB VAL A 34 7.411 0.924 46.058 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.512 3.056 45.175 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.507 1.678 44.667 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.961 2.739 45.988 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.676 3.008 47.378 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.126 2.689 48.192 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.506 1.593 48.444 1.00 0.00 H new ATOM 547 N GLY A 35 3.428 1.393 47.018 1.00 0.00 N ATOM 548 CA GLY A 35 2.262 2.015 47.628 1.00 0.00 C ATOM 549 C GLY A 35 1.512 1.013 48.495 1.00 0.00 C ATOM 550 O GLY A 35 0.991 1.360 49.555 1.00 0.00 O ATOM 0 H GLY A 35 3.409 1.358 45.999 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.572 2.867 48.233 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.600 2.399 46.852 1.00 0.00 H new ATOM 554 N LEU A 36 1.467 -0.235 48.038 1.00 0.00 N ATOM 555 CA LEU A 36 0.782 -1.284 48.780 1.00 0.00 C ATOM 556 C LEU A 36 1.500 -1.557 50.100 1.00 0.00 C ATOM 557 O LEU A 36 0.869 -1.900 51.099 1.00 0.00 O ATOM 558 CB LEU A 36 0.717 -2.577 47.948 1.00 0.00 C ATOM 559 CG LEU A 36 -0.084 -3.658 48.705 1.00 0.00 C ATOM 560 CD1 LEU A 36 -1.568 -3.260 48.786 1.00 0.00 C ATOM 561 CD2 LEU A 36 0.049 -4.996 47.969 1.00 0.00 C ATOM 0 H LEU A 36 1.894 -0.541 47.164 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.233 -0.947 48.990 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.249 -2.375 46.985 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.725 -2.938 47.743 1.00 0.00 H new ATOM 0 HG LEU A 36 0.311 -3.753 49.716 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.123 -4.030 49.322 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.662 -2.311 49.314 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.972 -3.156 47.779 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.516 -5.762 48.501 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.342 -4.895 46.957 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.099 -5.284 47.925 1.00 0.00 H new ATOM 573 N SER A 37 2.822 -1.412 50.098 1.00 0.00 N ATOM 574 CA SER A 37 3.611 -1.655 51.300 1.00 0.00 C ATOM 575 C SER A 37 3.125 -0.782 52.453 1.00 0.00 C ATOM 576 O SER A 37 3.262 -1.139 53.615 1.00 0.00 O ATOM 577 CB SER A 37 5.089 -1.363 51.021 1.00 0.00 C ATOM 578 OG SER A 37 5.539 -2.195 49.960 1.00 0.00 O ATOM 0 H SER A 37 3.366 -1.129 49.283 1.00 0.00 H new ATOM 0 HA SER A 37 3.493 -2.701 51.582 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.221 -0.314 50.757 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.683 -1.543 51.917 1.00 0.00 H new ATOM 0 HG SER A 37 4.857 -2.870 49.761 1.00 0.00 H new ATOM 584 N ALA A 38 2.564 0.365 52.111 1.00 0.00 N ATOM 585 CA ALA A 38 2.073 1.291 53.126 1.00 0.00 C ATOM 586 C ALA A 38 1.113 0.587 54.091 1.00 0.00 C ATOM 587 O ALA A 38 1.216 0.742 55.308 1.00 0.00 O ATOM 588 CB ALA A 38 1.354 2.468 52.461 1.00 0.00 C ATOM 0 H ALA A 38 2.436 0.679 51.149 1.00 0.00 H new ATOM 0 HA ALA A 38 2.930 1.658 53.691 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.992 3.153 53.228 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.047 2.993 51.803 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.511 2.097 51.878 1.00 0.00 H new ATOM 594 N LEU A 39 0.176 -0.174 53.533 1.00 0.00 N ATOM 595 CA LEU A 39 -0.809 -0.886 54.352 1.00 0.00 C ATOM 596 C LEU A 39 -0.157 -2.002 55.183 1.00 0.00 C ATOM 597 O LEU A 39 -0.242 -1.999 56.410 1.00 0.00 O ATOM 598 CB LEU A 39 -1.896 -1.491 53.445 1.00 0.00 C ATOM 599 CG LEU A 39 -2.931 -0.411 53.071 1.00 0.00 C ATOM 600 CD1 LEU A 39 -3.761 -0.005 54.317 1.00 0.00 C ATOM 601 CD2 LEU A 39 -2.197 0.818 52.513 1.00 0.00 C ATOM 0 H LEU A 39 0.075 -0.315 52.528 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.252 -0.167 55.041 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.442 -1.900 52.542 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.389 -2.318 53.956 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.609 -0.810 52.317 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.487 0.758 54.037 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.284 -0.879 54.706 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.096 0.391 55.084 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.923 1.586 52.246 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.516 1.209 53.269 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.630 0.532 51.627 1.00 0.00 H new ATOM 613 N THR A 40 0.484 -2.948 54.507 1.00 0.00 N ATOM 614 CA THR A 40 1.128 -4.077 55.194 1.00 0.00 C ATOM 615 C THR A 40 2.440 -3.654 55.853 1.00 0.00 C ATOM 616 O THR A 40 2.663 -3.931 57.031 1.00 0.00 O ATOM 617 CB THR A 40 1.413 -5.206 54.186 1.00 0.00 C ATOM 618 OG1 THR A 40 2.230 -6.192 54.802 1.00 0.00 O ATOM 619 CG2 THR A 40 2.143 -4.643 52.955 1.00 0.00 C ATOM 0 H THR A 40 0.575 -2.963 53.491 1.00 0.00 H new ATOM 0 HA THR A 40 0.447 -4.427 55.970 1.00 0.00 H new ATOM 0 HB THR A 40 0.468 -5.649 53.872 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.411 -6.912 54.163 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.340 -5.449 52.248 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.521 -3.886 52.478 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.087 -4.194 53.265 1.00 0.00 H new ATOM 627 N GLY A 41 3.299 -2.974 55.101 1.00 0.00 N ATOM 628 CA GLY A 41 4.585 -2.510 55.637 1.00 0.00 C ATOM 629 C GLY A 41 5.750 -3.314 55.066 1.00 0.00 C ATOM 630 O GLY A 41 6.448 -4.014 55.799 1.00 0.00 O ATOM 0 H GLY A 41 3.135 -2.730 54.124 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.719 -1.454 55.401 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.580 -2.596 56.724 1.00 0.00 H new ATOM 634 N TYR A 42 5.961 -3.204 53.753 1.00 0.00 N ATOM 635 CA TYR A 42 7.059 -3.912 53.080 1.00 0.00 C ATOM 636 C TYR A 42 8.178 -2.939 52.714 1.00 0.00 C ATOM 637 O TYR A 42 9.070 -3.293 51.956 1.00 0.00 O ATOM 638 CB TYR A 42 6.550 -4.640 51.807 1.00 0.00 C ATOM 639 CG TYR A 42 6.255 -6.099 52.116 1.00 0.00 C ATOM 640 CD1 TYR A 42 7.290 -6.930 52.559 1.00 0.00 C ATOM 641 CD2 TYR A 42 4.961 -6.611 51.963 1.00 0.00 C ATOM 642 CE1 TYR A 42 7.031 -8.275 52.852 1.00 0.00 C ATOM 643 CE2 TYR A 42 4.702 -7.955 52.255 1.00 0.00 C ATOM 644 CZ TYR A 42 5.737 -8.787 52.700 1.00 0.00 C ATOM 645 OH TYR A 42 5.481 -10.112 52.988 1.00 0.00 O ATOM 0 H TYR A 42 5.388 -2.632 53.132 1.00 0.00 H new ATOM 0 HA TYR A 42 7.452 -4.658 53.771 1.00 0.00 H new ATOM 0 HB2 TYR A 42 5.650 -4.151 51.435 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.298 -4.573 51.017 1.00 0.00 H new ATOM 0 HD1 TYR A 42 8.288 -6.534 52.675 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.163 -5.969 51.620 1.00 0.00 H new ATOM 0 HE1 TYR A 42 7.829 -8.917 53.195 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.704 -8.351 52.137 1.00 0.00 H new ATOM 0 HH TYR A 42 4.533 -10.304 52.830 1.00 0.00 H new ATOM 655 N LEU A 43 8.113 -1.717 53.243 1.00 0.00 N ATOM 656 CA LEU A 43 9.133 -0.695 52.954 1.00 0.00 C ATOM 657 C LEU A 43 10.514 -1.332 52.719 1.00 0.00 C ATOM 658 O LEU A 43 11.315 -0.827 51.934 1.00 0.00 O ATOM 659 CB LEU A 43 9.210 0.313 54.131 1.00 0.00 C ATOM 660 CG LEU A 43 8.210 1.476 53.920 1.00 0.00 C ATOM 661 CD1 LEU A 43 8.601 2.298 52.665 1.00 0.00 C ATOM 662 CD2 LEU A 43 6.790 0.904 53.753 1.00 0.00 C ATOM 0 H LEU A 43 7.371 -1.407 53.871 1.00 0.00 H new ATOM 0 HA LEU A 43 8.844 -0.174 52.042 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.990 -0.197 55.069 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.223 0.708 54.213 1.00 0.00 H new ATOM 0 HG LEU A 43 8.237 2.134 54.788 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.890 3.113 52.528 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.602 2.708 52.796 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.586 1.652 51.787 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.084 1.721 53.604 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.764 0.240 52.889 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.515 0.345 54.648 1.00 0.00 H new ATOM 674 N ASP A 44 10.776 -2.440 53.406 1.00 0.00 N ATOM 675 CA ASP A 44 12.054 -3.140 53.264 1.00 0.00 C ATOM 676 C ASP A 44 12.157 -3.838 51.905 1.00 0.00 C ATOM 677 O ASP A 44 13.206 -3.818 51.263 1.00 0.00 O ATOM 678 CB ASP A 44 12.202 -4.175 54.379 1.00 0.00 C ATOM 679 CG ASP A 44 13.642 -4.675 54.442 1.00 0.00 C ATOM 680 OD1 ASP A 44 14.536 -3.863 54.278 1.00 0.00 O ATOM 681 OD2 ASP A 44 13.827 -5.861 54.650 1.00 0.00 O ATOM 0 H ASP A 44 10.127 -2.872 54.063 1.00 0.00 H new ATOM 0 HA ASP A 44 12.853 -2.402 53.333 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.920 -3.734 55.335 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.526 -5.011 54.202 1.00 0.00 H new ATOM 686 N TYR A 45 11.059 -4.467 51.484 1.00 0.00 N ATOM 687 CA TYR A 45 11.013 -5.194 50.212 1.00 0.00 C ATOM 688 C TYR A 45 10.506 -4.306 49.074 1.00 0.00 C ATOM 689 O TYR A 45 9.557 -4.664 48.380 1.00 0.00 O ATOM 690 CB TYR A 45 10.117 -6.431 50.335 1.00 0.00 C ATOM 691 CG TYR A 45 10.436 -7.400 49.218 1.00 0.00 C ATOM 692 CD1 TYR A 45 11.564 -8.223 49.314 1.00 0.00 C ATOM 693 CD2 TYR A 45 9.607 -7.476 48.093 1.00 0.00 C ATOM 694 CE1 TYR A 45 11.866 -9.120 48.282 1.00 0.00 C ATOM 695 CE2 TYR A 45 9.908 -8.373 47.061 1.00 0.00 C ATOM 696 CZ TYR A 45 11.038 -9.196 47.155 1.00 0.00 C ATOM 697 OH TYR A 45 11.334 -10.080 46.140 1.00 0.00 O ATOM 0 H TYR A 45 10.184 -4.488 52.008 1.00 0.00 H new ATOM 0 HA TYR A 45 12.031 -5.504 49.977 1.00 0.00 H new ATOM 0 HB2 TYR A 45 10.272 -6.910 51.302 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.068 -6.139 50.289 1.00 0.00 H new ATOM 0 HD1 TYR A 45 12.201 -8.166 50.184 1.00 0.00 H new ATOM 0 HD2 TYR A 45 8.735 -6.843 48.021 1.00 0.00 H new ATOM 0 HE1 TYR A 45 12.738 -9.753 48.355 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.269 -8.431 46.192 1.00 0.00 H new ATOM 0 HH TYR A 45 10.658 -10.006 45.434 1.00 0.00 H new ATOM 707 N VAL A 46 11.128 -3.143 48.897 1.00 0.00 N ATOM 708 CA VAL A 46 10.724 -2.211 47.835 1.00 0.00 C ATOM 709 C VAL A 46 11.923 -1.839 46.966 1.00 0.00 C ATOM 710 O VAL A 46 11.809 -1.729 45.744 1.00 0.00 O ATOM 711 CB VAL A 46 10.128 -0.939 48.450 1.00 0.00 C ATOM 712 CG1 VAL A 46 9.015 -1.319 49.434 1.00 0.00 C ATOM 713 CG2 VAL A 46 11.230 -0.159 49.188 1.00 0.00 C ATOM 0 H VAL A 46 11.909 -2.820 49.468 1.00 0.00 H new ATOM 0 HA VAL A 46 9.973 -2.702 47.215 1.00 0.00 H new ATOM 0 HB VAL A 46 9.712 -0.313 47.660 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.591 -0.415 49.871 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.234 -1.867 48.906 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.427 -1.946 50.225 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.806 0.745 49.625 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.649 -0.782 49.978 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.017 0.113 48.484 1.00 0.00 H new ATOM 723 N LEU A 47 13.074 -1.651 47.597 1.00 0.00 N ATOM 724 CA LEU A 47 14.288 -1.297 46.867 1.00 0.00 C ATOM 725 C LEU A 47 14.906 -2.531 46.214 1.00 0.00 C ATOM 726 O LEU A 47 15.396 -2.476 45.087 1.00 0.00 O ATOM 727 CB LEU A 47 15.293 -0.640 47.819 1.00 0.00 C ATOM 728 CG LEU A 47 16.439 0.012 47.014 1.00 0.00 C ATOM 729 CD1 LEU A 47 16.025 1.415 46.545 1.00 0.00 C ATOM 730 CD2 LEU A 47 17.688 0.126 47.895 1.00 0.00 C ATOM 0 H LEU A 47 13.195 -1.736 48.606 1.00 0.00 H new ATOM 0 HA LEU A 47 14.028 -0.590 46.079 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.791 0.113 48.427 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.697 -1.385 48.504 1.00 0.00 H new ATOM 0 HG LEU A 47 16.655 -0.610 46.145 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.841 1.865 45.979 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.141 1.341 45.911 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.799 2.036 47.412 1.00 0.00 H new ATOM 0 HD21 LEU A 47 18.495 0.586 47.325 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.463 0.741 48.767 1.00 0.00 H new ATOM 0 HD23 LEU A 47 17.995 -0.868 48.221 1.00 0.00 H new ATOM 742 N LEU A 48 14.885 -3.645 46.938 1.00 0.00 N ATOM 743 CA LEU A 48 15.446 -4.894 46.431 1.00 0.00 C ATOM 744 C LEU A 48 14.732 -5.335 45.134 1.00 0.00 C ATOM 745 O LEU A 48 15.374 -5.499 44.095 1.00 0.00 O ATOM 746 CB LEU A 48 15.324 -6.007 47.508 1.00 0.00 C ATOM 747 CG LEU A 48 16.692 -6.278 48.164 1.00 0.00 C ATOM 748 CD1 LEU A 48 17.142 -5.045 48.967 1.00 0.00 C ATOM 749 CD2 LEU A 48 16.582 -7.489 49.100 1.00 0.00 C ATOM 0 H LEU A 48 14.487 -3.710 47.875 1.00 0.00 H new ATOM 0 HA LEU A 48 16.499 -4.727 46.202 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.603 -5.707 48.268 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.945 -6.922 47.052 1.00 0.00 H new ATOM 0 HG LEU A 48 17.427 -6.485 47.386 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.110 -5.244 49.428 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.227 -4.187 48.300 1.00 0.00 H new ATOM 0 HD13 LEU A 48 16.408 -4.829 49.743 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.550 -7.680 49.563 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.843 -7.284 49.875 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.275 -8.364 48.528 1.00 0.00 H new ATOM 761 N PRO A 49 13.428 -5.544 45.181 1.00 0.00 N ATOM 762 CA PRO A 49 12.626 -5.994 43.995 1.00 0.00 C ATOM 763 C PRO A 49 12.740 -5.027 42.814 1.00 0.00 C ATOM 764 O PRO A 49 12.402 -5.376 41.683 1.00 0.00 O ATOM 765 CB PRO A 49 11.174 -6.057 44.523 1.00 0.00 C ATOM 766 CG PRO A 49 11.172 -5.231 45.767 1.00 0.00 C ATOM 767 CD PRO A 49 12.565 -5.372 46.367 1.00 0.00 C ATOM 0 HA PRO A 49 12.980 -6.950 43.609 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.471 -5.664 43.789 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.876 -7.084 44.732 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.948 -4.188 45.543 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.410 -5.578 46.465 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.846 -4.491 46.945 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.629 -6.228 47.039 1.00 0.00 H new ATOM 775 N ALA A 50 13.217 -3.817 43.082 1.00 0.00 N ATOM 776 CA ALA A 50 13.371 -2.817 42.033 1.00 0.00 C ATOM 777 C ALA A 50 14.421 -3.271 41.021 1.00 0.00 C ATOM 778 O ALA A 50 14.327 -2.970 39.831 1.00 0.00 O ATOM 779 CB ALA A 50 13.778 -1.472 42.651 1.00 0.00 C ATOM 0 H ALA A 50 13.502 -3.506 44.011 1.00 0.00 H new ATOM 0 HA ALA A 50 12.419 -2.696 41.516 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.892 -0.729 41.862 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.008 -1.145 43.350 1.00 0.00 H new ATOM 0 HB3 ALA A 50 14.724 -1.586 43.181 1.00 0.00 H new ATOM 785 N LEU A 51 15.421 -3.994 41.511 1.00 0.00 N ATOM 786 CA LEU A 51 16.492 -4.486 40.656 1.00 0.00 C ATOM 787 C LEU A 51 15.919 -5.264 39.474 1.00 0.00 C ATOM 788 O LEU A 51 16.559 -5.376 38.428 1.00 0.00 O ATOM 789 CB LEU A 51 17.446 -5.391 41.451 1.00 0.00 C ATOM 790 CG LEU A 51 18.805 -5.506 40.718 1.00 0.00 C ATOM 791 CD1 LEU A 51 19.733 -4.364 41.152 1.00 0.00 C ATOM 792 CD2 LEU A 51 19.467 -6.845 41.059 1.00 0.00 C ATOM 0 H LEU A 51 15.512 -4.252 42.494 1.00 0.00 H new ATOM 0 HA LEU A 51 17.046 -3.625 40.282 1.00 0.00 H new ATOM 0 HB2 LEU A 51 17.597 -4.984 42.451 1.00 0.00 H new ATOM 0 HB3 LEU A 51 17.005 -6.380 41.572 1.00 0.00 H new ATOM 0 HG LEU A 51 18.630 -5.445 39.644 1.00 0.00 H new ATOM 0 HD11 LEU A 51 20.687 -4.452 40.632 1.00 0.00 H new ATOM 0 HD12 LEU A 51 19.273 -3.407 40.905 1.00 0.00 H new ATOM 0 HD13 LEU A 51 19.900 -4.420 42.228 1.00 0.00 H new ATOM 0 HD21 LEU A 51 20.423 -6.921 40.541 1.00 0.00 H new ATOM 0 HD22 LEU A 51 19.632 -6.906 42.135 1.00 0.00 H new ATOM 0 HD23 LEU A 51 18.818 -7.662 40.745 1.00 0.00 H new ATOM 804 N ALA A 52 14.717 -5.803 39.646 1.00 0.00 N ATOM 805 CA ALA A 52 14.075 -6.569 38.583 1.00 0.00 C ATOM 806 C ALA A 52 14.022 -5.752 37.296 1.00 0.00 C ATOM 807 O ALA A 52 14.133 -6.302 36.200 1.00 0.00 O ATOM 808 CB ALA A 52 12.655 -6.956 39.003 1.00 0.00 C ATOM 0 H ALA A 52 14.171 -5.725 40.504 1.00 0.00 H new ATOM 0 HA ALA A 52 14.659 -7.472 38.405 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.182 -7.528 38.204 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.696 -7.562 39.908 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.074 -6.054 39.196 1.00 0.00 H new ATOM 814 N ILE A 53 13.853 -4.441 37.438 1.00 0.00 N ATOM 815 CA ILE A 53 13.791 -3.562 36.277 1.00 0.00 C ATOM 816 C ILE A 53 15.115 -3.585 35.520 1.00 0.00 C ATOM 817 O ILE A 53 15.136 -3.704 34.295 1.00 0.00 O ATOM 818 CB ILE A 53 13.484 -2.131 36.722 1.00 0.00 C ATOM 819 CG1 ILE A 53 12.154 -2.107 37.478 1.00 0.00 C ATOM 820 CG2 ILE A 53 13.389 -1.226 35.493 1.00 0.00 C ATOM 821 CD1 ILE A 53 11.998 -0.763 38.193 1.00 0.00 C ATOM 0 H ILE A 53 13.757 -3.968 38.337 1.00 0.00 H new ATOM 0 HA ILE A 53 12.999 -3.916 35.617 1.00 0.00 H new ATOM 0 HB ILE A 53 14.280 -1.774 37.376 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.327 -2.261 36.785 1.00 0.00 H new ATOM 0 HG13 ILE A 53 12.120 -2.922 38.201 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.170 -0.206 35.808 1.00 0.00 H new ATOM 0 HG22 ILE A 53 14.336 -1.244 34.954 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.593 -1.582 34.839 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.051 -0.745 38.732 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.819 -0.628 38.898 1.00 0.00 H new ATOM 0 HD13 ILE A 53 12.013 0.043 37.460 1.00 0.00 H new ATOM 833 N PHE A 54 16.216 -3.476 36.257 1.00 0.00 N ATOM 834 CA PHE A 54 17.541 -3.498 35.647 1.00 0.00 C ATOM 835 C PHE A 54 17.802 -4.851 34.996 1.00 0.00 C ATOM 836 O PHE A 54 18.298 -4.925 33.872 1.00 0.00 O ATOM 837 CB PHE A 54 18.613 -3.207 36.699 1.00 0.00 C ATOM 838 CG PHE A 54 19.984 -3.322 36.070 1.00 0.00 C ATOM 839 CD1 PHE A 54 20.387 -2.399 35.098 1.00 0.00 C ATOM 840 CD2 PHE A 54 20.851 -4.350 36.462 1.00 0.00 C ATOM 841 CE1 PHE A 54 21.656 -2.505 34.515 1.00 0.00 C ATOM 842 CE2 PHE A 54 22.120 -4.455 35.879 1.00 0.00 C ATOM 843 CZ PHE A 54 22.523 -3.533 34.907 1.00 0.00 C ATOM 0 H PHE A 54 16.218 -3.372 37.272 1.00 0.00 H new ATOM 0 HA PHE A 54 17.582 -2.726 34.879 1.00 0.00 H new ATOM 0 HB2 PHE A 54 18.473 -2.207 37.109 1.00 0.00 H new ATOM 0 HB3 PHE A 54 18.522 -3.908 37.529 1.00 0.00 H new ATOM 0 HD1 PHE A 54 19.719 -1.605 34.798 1.00 0.00 H new ATOM 0 HD2 PHE A 54 20.541 -5.061 37.213 1.00 0.00 H new ATOM 0 HE1 PHE A 54 21.966 -1.794 33.763 1.00 0.00 H new ATOM 0 HE2 PHE A 54 22.788 -5.248 36.180 1.00 0.00 H new ATOM 0 HZ PHE A 54 23.502 -3.614 34.459 1.00 0.00 H new ATOM 853 N ILE A 55 17.469 -5.918 35.711 1.00 0.00 N ATOM 854 CA ILE A 55 17.671 -7.266 35.194 1.00 0.00 C ATOM 855 C ILE A 55 16.826 -7.489 33.948 1.00 0.00 C ATOM 856 O ILE A 55 17.302 -8.033 32.952 1.00 0.00 O ATOM 857 CB ILE A 55 17.310 -8.300 36.271 1.00 0.00 C ATOM 858 CG1 ILE A 55 18.128 -8.026 37.563 1.00 0.00 C ATOM 859 CG2 ILE A 55 17.605 -9.710 35.740 1.00 0.00 C ATOM 860 CD1 ILE A 55 19.492 -8.732 37.492 1.00 0.00 C ATOM 0 H ILE A 55 17.060 -5.878 36.645 1.00 0.00 H new ATOM 0 HA ILE A 55 18.721 -7.385 34.926 1.00 0.00 H new ATOM 0 HB ILE A 55 16.249 -8.223 36.511 1.00 0.00 H new ATOM 0 HG12 ILE A 55 18.273 -6.953 37.689 1.00 0.00 H new ATOM 0 HG13 ILE A 55 17.574 -8.377 38.433 1.00 0.00 H new ATOM 0 HG21 ILE A 55 17.350 -10.446 36.502 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.011 -9.893 34.845 1.00 0.00 H new ATOM 0 HG23 ILE A 55 18.664 -9.793 35.496 1.00 0.00 H new ATOM 0 HD11 ILE A 55 20.054 -8.531 38.404 1.00 0.00 H new ATOM 0 HD12 ILE A 55 19.341 -9.806 37.389 1.00 0.00 H new ATOM 0 HD13 ILE A 55 20.050 -8.360 36.633 1.00 0.00 H new ATOM 872 N GLY A 56 15.570 -7.065 34.012 1.00 0.00 N ATOM 873 CA GLY A 56 14.663 -7.212 32.883 1.00 0.00 C ATOM 874 C GLY A 56 15.105 -6.336 31.715 1.00 0.00 C ATOM 875 O GLY A 56 14.900 -6.685 30.553 1.00 0.00 O ATOM 0 H GLY A 56 15.158 -6.618 34.831 1.00 0.00 H new ATOM 0 HA2 GLY A 56 14.632 -8.255 32.569 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.652 -6.940 33.185 1.00 0.00 H new ATOM 879 N LEU A 57 15.705 -5.192 32.036 1.00 0.00 N ATOM 880 CA LEU A 57 16.161 -4.266 31.005 1.00 0.00 C ATOM 881 C LEU A 57 17.183 -4.939 30.097 1.00 0.00 C ATOM 882 O LEU A 57 17.156 -4.758 28.879 1.00 0.00 O ATOM 883 CB LEU A 57 16.791 -3.017 31.647 1.00 0.00 C ATOM 884 CG LEU A 57 17.074 -1.941 30.570 1.00 0.00 C ATOM 885 CD1 LEU A 57 15.814 -1.096 30.325 1.00 0.00 C ATOM 886 CD2 LEU A 57 18.207 -1.023 31.040 1.00 0.00 C ATOM 0 H LEU A 57 15.885 -4.887 32.993 1.00 0.00 H new ATOM 0 HA LEU A 57 15.297 -3.968 30.411 1.00 0.00 H new ATOM 0 HB2 LEU A 57 16.121 -2.613 32.406 1.00 0.00 H new ATOM 0 HB3 LEU A 57 17.718 -3.288 32.152 1.00 0.00 H new ATOM 0 HG LEU A 57 17.363 -2.440 29.645 1.00 0.00 H new ATOM 0 HD11 LEU A 57 16.023 -0.342 29.566 1.00 0.00 H new ATOM 0 HD12 LEU A 57 15.004 -1.741 29.983 1.00 0.00 H new ATOM 0 HD13 LEU A 57 15.519 -0.605 31.252 1.00 0.00 H new ATOM 0 HD21 LEU A 57 18.403 -0.268 30.279 1.00 0.00 H new ATOM 0 HD22 LEU A 57 17.917 -0.534 31.970 1.00 0.00 H new ATOM 0 HD23 LEU A 57 19.108 -1.613 31.206 1.00 0.00 H new ATOM 898 N THR A 58 18.083 -5.713 30.688 1.00 0.00 N ATOM 899 CA THR A 58 19.104 -6.401 29.910 1.00 0.00 C ATOM 900 C THR A 58 18.472 -7.445 28.995 1.00 0.00 C ATOM 901 O THR A 58 18.889 -7.617 27.849 1.00 0.00 O ATOM 902 CB THR A 58 20.097 -7.084 30.854 1.00 0.00 C ATOM 903 OG1 THR A 58 19.392 -7.942 31.741 1.00 0.00 O ATOM 904 CG2 THR A 58 20.847 -6.022 31.660 1.00 0.00 C ATOM 0 H THR A 58 18.127 -5.879 31.693 1.00 0.00 H new ATOM 0 HA THR A 58 19.625 -5.667 29.295 1.00 0.00 H new ATOM 0 HB THR A 58 20.810 -7.668 30.272 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.491 -7.587 31.892 1.00 0.00 H new ATOM 0 HG21 THR A 58 21.554 -6.508 32.332 1.00 0.00 H new ATOM 0 HG22 THR A 58 21.387 -5.363 30.980 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.135 -5.437 32.243 1.00 0.00 H new ATOM 912 N ILE A 59 17.469 -8.145 29.511 1.00 0.00 N ATOM 913 CA ILE A 59 16.792 -9.175 28.732 1.00 0.00 C ATOM 914 C ILE A 59 15.987 -8.563 27.588 1.00 0.00 C ATOM 915 O ILE A 59 16.109 -8.978 26.438 1.00 0.00 O ATOM 916 CB ILE A 59 15.861 -9.987 29.646 1.00 0.00 C ATOM 917 CG1 ILE A 59 16.676 -10.605 30.814 1.00 0.00 C ATOM 918 CG2 ILE A 59 15.191 -11.104 28.831 1.00 0.00 C ATOM 919 CD1 ILE A 59 17.352 -11.918 30.376 1.00 0.00 C ATOM 0 H ILE A 59 17.109 -8.020 30.457 1.00 0.00 H new ATOM 0 HA ILE A 59 17.549 -9.830 28.302 1.00 0.00 H new ATOM 0 HB ILE A 59 15.095 -9.329 30.057 1.00 0.00 H new ATOM 0 HG12 ILE A 59 17.433 -9.896 31.150 1.00 0.00 H new ATOM 0 HG13 ILE A 59 16.018 -10.795 31.662 1.00 0.00 H new ATOM 0 HG21 ILE A 59 14.530 -11.681 29.478 1.00 0.00 H new ATOM 0 HG22 ILE A 59 14.611 -10.664 28.020 1.00 0.00 H new ATOM 0 HG23 ILE A 59 15.956 -11.760 28.416 1.00 0.00 H new ATOM 0 HD11 ILE A 59 17.917 -12.332 31.211 1.00 0.00 H new ATOM 0 HD12 ILE A 59 16.591 -12.632 30.063 1.00 0.00 H new ATOM 0 HD13 ILE A 59 18.027 -11.720 29.544 1.00 0.00 H new ATOM 931 N TYR A 60 15.172 -7.564 27.914 1.00 0.00 N ATOM 932 CA TYR A 60 14.344 -6.889 26.918 1.00 0.00 C ATOM 933 C TYR A 60 15.179 -6.472 25.711 1.00 0.00 C ATOM 934 O TYR A 60 14.671 -6.405 24.591 1.00 0.00 O ATOM 935 CB TYR A 60 13.654 -5.667 27.550 1.00 0.00 C ATOM 936 CG TYR A 60 12.991 -6.046 28.885 1.00 0.00 C ATOM 937 CD1 TYR A 60 12.544 -7.353 29.111 1.00 0.00 C ATOM 938 CD2 TYR A 60 12.844 -5.074 29.882 1.00 0.00 C ATOM 939 CE1 TYR A 60 11.949 -7.687 30.334 1.00 0.00 C ATOM 940 CE2 TYR A 60 12.251 -5.409 31.103 1.00 0.00 C ATOM 941 CZ TYR A 60 11.803 -6.715 31.330 1.00 0.00 C ATOM 942 OH TYR A 60 11.218 -7.044 32.535 1.00 0.00 O ATOM 0 H TYR A 60 15.067 -7.203 28.862 1.00 0.00 H new ATOM 0 HA TYR A 60 13.579 -7.584 26.572 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.385 -4.875 27.713 1.00 0.00 H new ATOM 0 HB3 TYR A 60 12.904 -5.272 26.865 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.658 -8.103 28.343 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.189 -4.065 29.708 1.00 0.00 H new ATOM 0 HE1 TYR A 60 11.603 -8.695 30.508 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.139 -4.659 31.872 1.00 0.00 H new ATOM 0 HH TYR A 60 11.195 -6.254 33.114 1.00 0.00 H new ATOM 952 N ALA A 61 16.459 -6.190 25.934 1.00 0.00 N ATOM 953 CA ALA A 61 17.344 -5.782 24.847 1.00 0.00 C ATOM 954 C ALA A 61 17.329 -6.811 23.718 1.00 0.00 C ATOM 955 O ALA A 61 17.432 -6.454 22.543 1.00 0.00 O ATOM 956 CB ALA A 61 18.771 -5.629 25.378 1.00 0.00 C ATOM 0 H ALA A 61 16.905 -6.236 26.850 1.00 0.00 H new ATOM 0 HA ALA A 61 16.990 -4.829 24.453 1.00 0.00 H new ATOM 0 HB1 ALA A 61 19.431 -5.324 24.566 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.788 -4.872 26.162 1.00 0.00 H new ATOM 0 HB3 ALA A 61 19.112 -6.581 25.785 1.00 0.00 H new ATOM 962 N ILE A 62 17.195 -8.086 24.075 1.00 0.00 N ATOM 963 CA ILE A 62 17.159 -9.159 23.085 1.00 0.00 C ATOM 964 C ILE A 62 15.955 -9.002 22.158 1.00 0.00 C ATOM 965 O ILE A 62 15.989 -9.412 20.997 1.00 0.00 O ATOM 966 CB ILE A 62 17.099 -10.537 23.788 1.00 0.00 C ATOM 967 CG1 ILE A 62 17.646 -11.629 22.844 1.00 0.00 C ATOM 968 CG2 ILE A 62 15.647 -10.867 24.174 1.00 0.00 C ATOM 969 CD1 ILE A 62 19.184 -11.641 22.868 1.00 0.00 C ATOM 0 H ILE A 62 17.110 -8.401 25.041 1.00 0.00 H new ATOM 0 HA ILE A 62 18.070 -9.099 22.489 1.00 0.00 H new ATOM 0 HB ILE A 62 17.709 -10.502 24.691 1.00 0.00 H new ATOM 0 HG12 ILE A 62 17.264 -12.604 23.146 1.00 0.00 H new ATOM 0 HG13 ILE A 62 17.294 -11.450 21.828 1.00 0.00 H new ATOM 0 HG21 ILE A 62 15.614 -11.838 24.668 1.00 0.00 H new ATOM 0 HG22 ILE A 62 15.268 -10.102 24.851 1.00 0.00 H new ATOM 0 HG23 ILE A 62 15.029 -10.895 23.276 1.00 0.00 H new ATOM 0 HD11 ILE A 62 19.552 -12.417 22.197 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.561 -10.671 22.543 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.531 -11.843 23.881 1.00 0.00 H new ATOM 981 N GLN A 63 14.887 -8.420 22.686 1.00 0.00 N ATOM 982 CA GLN A 63 13.676 -8.228 21.902 1.00 0.00 C ATOM 983 C GLN A 63 13.922 -7.237 20.772 1.00 0.00 C ATOM 984 O GLN A 63 13.453 -7.426 19.649 1.00 0.00 O ATOM 985 CB GLN A 63 12.542 -7.719 22.808 1.00 0.00 C ATOM 986 CG GLN A 63 11.181 -7.969 22.138 1.00 0.00 C ATOM 987 CD GLN A 63 10.054 -7.750 23.143 1.00 0.00 C ATOM 988 OE1 GLN A 63 9.180 -8.605 23.286 1.00 0.00 O ATOM 989 NE2 GLN A 63 10.019 -6.653 23.849 1.00 0.00 N ATOM 0 H GLN A 63 14.834 -8.076 23.645 1.00 0.00 H new ATOM 0 HA GLN A 63 13.387 -9.185 21.467 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.580 -8.226 23.772 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.671 -6.654 23.002 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.056 -7.298 21.288 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.140 -8.987 21.749 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.744 -5.946 23.729 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.266 -6.503 24.521 1.00 0.00 H new ATOM 998 N ARG A 64 14.664 -6.180 21.080 1.00 0.00 N ATOM 999 CA ARG A 64 14.987 -5.154 20.099 1.00 0.00 C ATOM 1000 C ARG A 64 16.071 -5.639 19.137 1.00 0.00 C ATOM 1001 O ARG A 64 16.211 -5.121 18.030 1.00 0.00 O ATOM 1002 CB ARG A 64 15.439 -3.855 20.806 1.00 0.00 C ATOM 1003 CG ARG A 64 14.220 -2.958 21.095 1.00 0.00 C ATOM 1004 CD ARG A 64 13.909 -2.089 19.869 1.00 0.00 C ATOM 1005 NE ARG A 64 12.673 -1.343 20.074 1.00 0.00 N ATOM 1006 CZ ARG A 64 12.288 -0.406 19.214 1.00 0.00 C ATOM 1007 NH1 ARG A 64 13.020 -0.139 18.170 1.00 0.00 N ATOM 1008 NH2 ARG A 64 11.176 0.248 19.418 1.00 0.00 N ATOM 0 H ARG A 64 15.055 -6.012 22.007 1.00 0.00 H new ATOM 0 HA ARG A 64 14.087 -4.944 19.520 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.951 -4.098 21.737 1.00 0.00 H new ATOM 0 HB3 ARG A 64 16.153 -3.321 20.180 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.356 -3.573 21.344 1.00 0.00 H new ATOM 0 HG3 ARG A 64 14.420 -2.325 21.959 1.00 0.00 H new ATOM 0 HD2 ARG A 64 14.732 -1.398 19.687 1.00 0.00 H new ATOM 0 HD3 ARG A 64 13.819 -2.718 18.983 1.00 0.00 H new ATOM 0 HE ARG A 64 12.095 -1.543 20.890 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.889 -0.649 18.012 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.724 0.580 17.510 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.604 0.039 20.237 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.879 0.968 18.759 1.00 0.00 H new ATOM 1022 N LYS A 65 16.849 -6.617 19.580 1.00 0.00 N ATOM 1023 CA LYS A 65 17.947 -7.123 18.767 1.00 0.00 C ATOM 1024 C LYS A 65 17.488 -7.414 17.338 1.00 0.00 C ATOM 1025 O LYS A 65 18.151 -7.002 16.385 1.00 0.00 O ATOM 1026 CB LYS A 65 18.486 -8.418 19.381 1.00 0.00 C ATOM 1027 CG LYS A 65 19.714 -8.885 18.596 1.00 0.00 C ATOM 1028 CD LYS A 65 20.305 -10.128 19.262 1.00 0.00 C ATOM 1029 CE LYS A 65 21.576 -10.547 18.523 1.00 0.00 C ATOM 1030 NZ LYS A 65 21.225 -11.013 17.152 1.00 0.00 N ATOM 0 H LYS A 65 16.743 -7.072 20.487 1.00 0.00 H new ATOM 0 HA LYS A 65 18.725 -6.360 18.740 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.750 -8.255 20.426 1.00 0.00 H new ATOM 0 HB3 LYS A 65 17.716 -9.189 19.364 1.00 0.00 H new ATOM 0 HG2 LYS A 65 19.436 -9.109 17.566 1.00 0.00 H new ATOM 0 HG3 LYS A 65 20.459 -8.090 18.560 1.00 0.00 H new ATOM 0 HD2 LYS A 65 20.531 -9.920 20.308 1.00 0.00 H new ATOM 0 HD3 LYS A 65 19.579 -10.941 19.248 1.00 0.00 H new ATOM 0 HE2 LYS A 65 22.270 -9.708 18.467 1.00 0.00 H new ATOM 0 HE3 LYS A 65 22.082 -11.342 19.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 22.024 -11.543 16.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 20.389 -11.630 17.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 21.016 -10.192 16.549 1.00 0.00 H new ATOM 1044 N ARG A 66 16.364 -8.111 17.182 1.00 0.00 N ATOM 1045 CA ARG A 66 15.844 -8.430 15.849 1.00 0.00 C ATOM 1046 C ARG A 66 15.260 -7.183 15.185 1.00 0.00 C ATOM 1047 O ARG A 66 15.563 -6.885 14.030 1.00 0.00 O ATOM 1048 CB ARG A 66 14.758 -9.523 15.957 1.00 0.00 C ATOM 1049 CG ARG A 66 13.886 -9.281 17.200 1.00 0.00 C ATOM 1050 CD ARG A 66 12.815 -10.367 17.303 1.00 0.00 C ATOM 1051 NE ARG A 66 11.895 -10.295 16.155 1.00 0.00 N ATOM 1052 CZ ARG A 66 10.671 -9.789 16.266 1.00 0.00 C ATOM 1053 NH1 ARG A 66 10.255 -9.332 17.415 1.00 0.00 N ATOM 1054 NH2 ARG A 66 9.887 -9.745 15.224 1.00 0.00 N ATOM 0 H ARG A 66 15.798 -8.464 17.954 1.00 0.00 H new ATOM 0 HA ARG A 66 16.667 -8.797 15.235 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.137 -9.519 15.061 1.00 0.00 H new ATOM 0 HB3 ARG A 66 15.225 -10.506 16.017 1.00 0.00 H new ATOM 0 HG2 ARG A 66 14.506 -9.283 18.096 1.00 0.00 H new ATOM 0 HG3 ARG A 66 13.416 -8.299 17.140 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.287 -11.349 17.337 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.257 -10.249 18.232 1.00 0.00 H new ATOM 0 HE ARG A 66 12.206 -10.644 15.248 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.869 -9.363 18.229 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.316 -8.944 17.500 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.214 -10.099 14.325 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.948 -9.357 15.309 1.00 0.00 H new ATOM 1068 N GLN A 67 14.413 -6.468 15.917 1.00 0.00 N ATOM 1069 CA GLN A 67 13.786 -5.266 15.384 1.00 0.00 C ATOM 1070 C GLN A 67 14.844 -4.307 14.859 1.00 0.00 C ATOM 1071 O GLN A 67 14.598 -3.562 13.911 1.00 0.00 O ATOM 1072 CB GLN A 67 12.964 -4.572 16.470 1.00 0.00 C ATOM 1073 CG GLN A 67 11.729 -5.413 16.794 1.00 0.00 C ATOM 1074 CD GLN A 67 10.959 -4.784 17.952 1.00 0.00 C ATOM 1075 OE1 GLN A 67 11.209 -3.633 18.313 1.00 0.00 O ATOM 1076 NE2 GLN A 67 10.034 -5.475 18.559 1.00 0.00 N ATOM 0 H GLN A 67 14.147 -6.698 16.874 1.00 0.00 H new ATOM 0 HA GLN A 67 13.128 -5.556 14.565 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.569 -4.435 17.366 1.00 0.00 H new ATOM 0 HB3 GLN A 67 12.663 -3.580 16.134 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.087 -5.485 15.916 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.028 -6.428 17.054 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.829 -6.428 18.258 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.516 -5.063 19.335 1.00 0.00 H new ATOM 1085 N ALA A 68 16.021 -4.332 15.477 1.00 0.00 N ATOM 1086 CA ALA A 68 17.101 -3.461 15.051 1.00 0.00 C ATOM 1087 C ALA A 68 17.361 -3.635 13.561 1.00 0.00 C ATOM 1088 O ALA A 68 17.362 -2.669 12.800 1.00 0.00 O ATOM 1089 CB ALA A 68 18.374 -3.790 15.838 1.00 0.00 C ATOM 0 H ALA A 68 16.246 -4.940 16.265 1.00 0.00 H new ATOM 0 HA ALA A 68 16.814 -2.427 15.242 1.00 0.00 H new ATOM 0 HB1 ALA A 68 19.182 -3.133 15.514 1.00 0.00 H new ATOM 0 HB2 ALA A 68 18.192 -3.644 16.903 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.655 -4.827 15.658 1.00 0.00 H new ATOM 1095 N ASP A 69 17.577 -4.883 13.156 1.00 0.00 N ATOM 1096 CA ASP A 69 17.823 -5.190 11.754 1.00 0.00 C ATOM 1097 C ASP A 69 16.544 -5.005 10.944 1.00 0.00 C ATOM 1098 O ASP A 69 16.564 -4.415 9.864 1.00 0.00 O ATOM 1099 CB ASP A 69 18.319 -6.629 11.604 1.00 0.00 C ATOM 1100 CG ASP A 69 19.697 -6.772 12.242 1.00 0.00 C ATOM 1101 OD1 ASP A 69 20.362 -5.763 12.404 1.00 0.00 O ATOM 1102 OD2 ASP A 69 20.066 -7.890 12.561 1.00 0.00 O ATOM 0 H ASP A 69 17.586 -5.693 13.776 1.00 0.00 H new ATOM 0 HA ASP A 69 18.588 -4.509 11.381 1.00 0.00 H new ATOM 0 HB2 ASP A 69 17.617 -7.316 12.076 1.00 0.00 H new ATOM 0 HB3 ASP A 69 18.367 -6.898 10.549 1.00 0.00 H new ATOM 1107 N ALA A 70 15.432 -5.511 11.476 1.00 0.00 N ATOM 1108 CA ALA A 70 14.150 -5.399 10.793 1.00 0.00 C ATOM 1109 C ALA A 70 13.823 -3.931 10.521 1.00 0.00 C ATOM 1110 O ALA A 70 13.181 -3.603 9.522 1.00 0.00 O ATOM 1111 CB ALA A 70 13.036 -6.030 11.652 1.00 0.00 C ATOM 0 H ALA A 70 15.395 -5.998 12.371 1.00 0.00 H new ATOM 0 HA ALA A 70 14.213 -5.930 9.843 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.082 -5.941 11.133 1.00 0.00 H new ATOM 0 HB2 ALA A 70 13.260 -7.083 11.822 1.00 0.00 H new ATOM 0 HB3 ALA A 70 12.978 -5.512 12.609 1.00 0.00 H new ATOM 1117 N SER A 71 14.261 -3.058 11.421 1.00 0.00 N ATOM 1118 CA SER A 71 14.008 -1.632 11.270 1.00 0.00 C ATOM 1119 C SER A 71 14.849 -1.061 10.135 1.00 0.00 C ATOM 1120 O SER A 71 14.384 -0.217 9.367 1.00 0.00 O ATOM 1121 CB SER A 71 14.335 -0.897 12.570 1.00 0.00 C ATOM 1122 OG SER A 71 15.736 -0.950 12.800 1.00 0.00 O ATOM 0 H SER A 71 14.789 -3.311 12.256 1.00 0.00 H new ATOM 0 HA SER A 71 12.953 -1.493 11.035 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.004 0.140 12.508 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.801 -1.353 13.403 1.00 0.00 H new ATOM 0 HG SER A 71 16.062 -1.858 12.627 1.00 0.00 H new ATOM 1128 N SER A 72 16.095 -1.524 10.032 1.00 0.00 N ATOM 1129 CA SER A 72 16.997 -1.049 8.983 1.00 0.00 C ATOM 1130 C SER A 72 16.989 -2.001 7.794 1.00 0.00 C ATOM 1131 O SER A 72 16.319 -1.745 6.793 1.00 0.00 O ATOM 1132 CB SER A 72 18.419 -0.937 9.532 1.00 0.00 C ATOM 1133 OG SER A 72 18.444 0.025 10.578 1.00 0.00 O ATOM 0 H SER A 72 16.500 -2.221 10.656 1.00 0.00 H new ATOM 0 HA SER A 72 16.652 -0.069 8.652 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.755 -1.905 9.904 1.00 0.00 H new ATOM 0 HB3 SER A 72 19.106 -0.645 8.738 1.00 0.00 H new ATOM 0 HG SER A 72 19.354 0.098 10.934 1.00 0.00 H new ATOM 1139 N THR A 73 17.730 -3.104 7.911 1.00 0.00 N ATOM 1140 CA THR A 73 17.799 -4.092 6.836 1.00 0.00 C ATOM 1141 C THR A 73 16.418 -4.284 6.176 1.00 0.00 C ATOM 1142 O THR A 73 15.562 -4.967 6.740 1.00 0.00 O ATOM 1143 CB THR A 73 18.304 -5.428 7.387 1.00 0.00 C ATOM 1144 OG1 THR A 73 19.450 -5.195 8.193 1.00 0.00 O ATOM 1145 CG2 THR A 73 18.677 -6.346 6.223 1.00 0.00 C ATOM 0 H THR A 73 18.287 -3.334 8.734 1.00 0.00 H new ATOM 0 HA THR A 73 18.494 -3.728 6.079 1.00 0.00 H new ATOM 0 HB THR A 73 17.525 -5.900 7.986 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.777 -6.047 8.550 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.037 -7.298 6.612 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.800 -6.517 5.599 1.00 0.00 H new ATOM 0 HG23 THR A 73 19.460 -5.878 5.627 1.00 0.00 H new ATOM 1153 N PRO A 74 16.180 -3.696 5.006 1.00 0.00 N ATOM 1154 CA PRO A 74 14.871 -3.819 4.279 1.00 0.00 C ATOM 1155 C PRO A 74 14.527 -5.273 3.914 1.00 0.00 C ATOM 1156 O PRO A 74 13.876 -5.525 2.900 1.00 0.00 O ATOM 1157 CB PRO A 74 15.067 -2.956 3.010 1.00 0.00 C ATOM 1158 CG PRO A 74 16.239 -2.073 3.301 1.00 0.00 C ATOM 1159 CD PRO A 74 17.130 -2.848 4.262 1.00 0.00 C ATOM 0 HA PRO A 74 14.036 -3.489 4.897 1.00 0.00 H new ATOM 0 HB2 PRO A 74 15.254 -3.580 2.136 1.00 0.00 H new ATOM 0 HB3 PRO A 74 14.176 -2.366 2.795 1.00 0.00 H new ATOM 0 HG2 PRO A 74 16.777 -1.826 2.386 1.00 0.00 H new ATOM 0 HG3 PRO A 74 15.916 -1.131 3.744 1.00 0.00 H new ATOM 0 HD2 PRO A 74 17.870 -3.446 3.730 1.00 0.00 H new ATOM 0 HD3 PRO A 74 17.678 -2.181 4.927 1.00 0.00 H new ATOM 1167 N LYS A 75 14.967 -6.217 4.741 1.00 0.00 N ATOM 1168 CA LYS A 75 14.689 -7.627 4.494 1.00 0.00 C ATOM 1169 C LYS A 75 13.193 -7.921 4.644 1.00 0.00 C ATOM 1170 O LYS A 75 12.608 -8.630 3.830 1.00 0.00 O ATOM 1171 CB LYS A 75 15.504 -8.515 5.476 1.00 0.00 C ATOM 1172 CG LYS A 75 16.652 -9.219 4.739 1.00 0.00 C ATOM 1173 CD LYS A 75 17.507 -10.002 5.737 1.00 0.00 C ATOM 1174 CE LYS A 75 18.731 -10.572 5.020 1.00 0.00 C ATOM 1175 NZ LYS A 75 19.609 -11.261 6.007 1.00 0.00 N ATOM 0 H LYS A 75 15.514 -6.033 5.582 1.00 0.00 H new ATOM 0 HA LYS A 75 14.987 -7.859 3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 75 15.904 -7.902 6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.849 -9.256 5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 75 16.251 -9.893 3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 75 17.266 -8.485 4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 75 17.820 -9.351 6.553 1.00 0.00 H new ATOM 0 HD3 LYS A 75 16.922 -10.809 6.179 1.00 0.00 H new ATOM 0 HE2 LYS A 75 18.419 -11.272 4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 75 19.281 -9.772 4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 20.442 -11.649 5.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 19.917 -10.581 6.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 19.082 -12.034 6.460 1.00 0.00 H new ATOM 1189 N PHE A 76 12.589 -7.379 5.699 1.00 0.00 N ATOM 1190 CA PHE A 76 11.171 -7.608 5.954 1.00 0.00 C ATOM 1191 C PHE A 76 10.321 -7.150 4.768 1.00 0.00 C ATOM 1192 O PHE A 76 9.487 -7.903 4.266 1.00 0.00 O ATOM 1193 CB PHE A 76 10.747 -6.858 7.223 1.00 0.00 C ATOM 1194 CG PHE A 76 10.844 -5.371 6.987 1.00 0.00 C ATOM 1195 CD1 PHE A 76 12.081 -4.722 7.085 1.00 0.00 C ATOM 1196 CD2 PHE A 76 9.696 -4.639 6.662 1.00 0.00 C ATOM 1197 CE1 PHE A 76 12.171 -3.344 6.859 1.00 0.00 C ATOM 1198 CE2 PHE A 76 9.785 -3.260 6.436 1.00 0.00 C ATOM 1199 CZ PHE A 76 11.022 -2.613 6.534 1.00 0.00 C ATOM 0 H PHE A 76 13.055 -6.784 6.384 1.00 0.00 H new ATOM 0 HA PHE A 76 11.013 -8.677 6.093 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.726 -7.128 7.493 1.00 0.00 H new ATOM 0 HB3 PHE A 76 11.385 -7.146 8.059 1.00 0.00 H new ATOM 0 HD1 PHE A 76 12.967 -5.286 7.335 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.741 -5.138 6.586 1.00 0.00 H new ATOM 0 HE1 PHE A 76 13.126 -2.845 6.935 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.899 -2.696 6.186 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.090 -1.549 6.359 1.00 0.00 H new ATOM 1209 N ASN A 77 10.545 -5.918 4.322 1.00 0.00 N ATOM 1210 CA ASN A 77 9.807 -5.367 3.185 1.00 0.00 C ATOM 1211 C ASN A 77 10.368 -5.900 1.868 1.00 0.00 C ATOM 1212 O ASN A 77 9.682 -5.908 0.847 1.00 0.00 O ATOM 1213 CB ASN A 77 9.866 -3.836 3.199 1.00 0.00 C ATOM 1214 CG ASN A 77 11.273 -3.372 3.550 1.00 0.00 C ATOM 1215 OD1 ASN A 77 12.156 -4.197 3.787 1.00 0.00 O ATOM 1216 ND2 ASN A 77 11.540 -2.094 3.598 1.00 0.00 N ATOM 0 H ASN A 77 11.230 -5.281 4.728 1.00 0.00 H new ATOM 0 HA ASN A 77 8.767 -5.680 3.272 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.578 -3.444 2.224 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.153 -3.443 3.924 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.481 -1.778 3.832 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.807 -1.412 3.401 1.00 0.00 H new ATOM 1223 N GLY A 78 11.628 -6.325 1.897 1.00 0.00 N ATOM 1224 CA GLY A 78 12.281 -6.844 0.700 1.00 0.00 C ATOM 1225 C GLY A 78 11.565 -8.086 0.181 1.00 0.00 C ATOM 1226 O GLY A 78 11.519 -8.331 -1.025 1.00 0.00 O ATOM 0 H GLY A 78 12.214 -6.320 2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 78 12.292 -6.077 -0.074 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.320 -7.086 0.924 1.00 0.00 H new ATOM 1230 N VAL A 79 11.007 -8.868 1.098 1.00 0.00 N ATOM 1231 CA VAL A 79 10.295 -10.084 0.722 1.00 0.00 C ATOM 1232 C VAL A 79 9.072 -9.742 -0.126 1.00 0.00 C ATOM 1233 O VAL A 79 8.800 -10.394 -1.133 1.00 0.00 O ATOM 1234 CB VAL A 79 9.857 -10.845 1.979 1.00 0.00 C ATOM 1235 CG1 VAL A 79 8.936 -12.007 1.587 1.00 0.00 C ATOM 1236 CG2 VAL A 79 11.090 -11.400 2.695 1.00 0.00 C ATOM 0 H VAL A 79 11.033 -8.684 2.101 1.00 0.00 H new ATOM 0 HA VAL A 79 10.966 -10.713 0.137 1.00 0.00 H new ATOM 0 HB VAL A 79 9.322 -10.165 2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 79 8.627 -12.545 2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 79 8.055 -11.617 1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.470 -12.686 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 79 10.779 -11.941 3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.624 -12.077 2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.747 -10.578 2.979 1.00 0.00 H new ATOM 1246 N LYS A 80 8.337 -8.717 0.291 1.00 0.00 N ATOM 1247 CA LYS A 80 7.139 -8.307 -0.431 1.00 0.00 C ATOM 1248 C LYS A 80 7.464 -8.043 -1.897 1.00 0.00 C ATOM 1249 O LYS A 80 6.698 -8.417 -2.786 1.00 0.00 O ATOM 1250 CB LYS A 80 6.568 -7.035 0.198 1.00 0.00 C ATOM 1251 CG LYS A 80 6.258 -7.279 1.684 1.00 0.00 C ATOM 1252 CD LYS A 80 5.018 -8.176 1.828 1.00 0.00 C ATOM 1253 CE LYS A 80 4.433 -8.025 3.237 1.00 0.00 C ATOM 1254 NZ LYS A 80 5.424 -8.496 4.244 1.00 0.00 N ATOM 0 H LYS A 80 8.547 -8.159 1.118 1.00 0.00 H new ATOM 0 HA LYS A 80 6.404 -9.110 -0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.281 -6.217 0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.661 -6.735 -0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.114 -7.749 2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.088 -6.328 2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.271 -7.903 1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.286 -9.216 1.645 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.176 -6.982 3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.511 -8.601 3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.957 -8.602 5.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.813 -9.413 3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.195 -7.802 4.323 1.00 0.00 H new ATOM 1268 N LYS A 81 8.601 -7.402 -2.147 1.00 0.00 N ATOM 1269 CA LYS A 81 9.012 -7.098 -3.516 1.00 0.00 C ATOM 1270 C LYS A 81 8.770 -8.309 -4.425 1.00 0.00 C ATOM 1271 O LYS A 81 8.548 -9.387 -3.898 1.00 0.00 O ATOM 1272 CB LYS A 81 10.514 -6.694 -3.543 1.00 0.00 C ATOM 1273 CG LYS A 81 10.704 -5.353 -4.280 1.00 0.00 C ATOM 1274 CD LYS A 81 10.320 -4.196 -3.352 1.00 0.00 C ATOM 1275 CE LYS A 81 10.564 -2.864 -4.060 1.00 0.00 C ATOM 1276 NZ LYS A 81 10.202 -1.743 -3.147 1.00 0.00 N ATOM 1277 OXT LYS A 81 8.819 -8.136 -5.631 1.00 0.00 O ATOM 0 H LYS A 81 9.251 -7.085 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 81 8.417 -6.263 -3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.892 -6.611 -2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.096 -7.472 -4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.740 -5.247 -4.600 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.088 -5.331 -5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.272 -4.280 -3.065 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.906 -4.244 -2.434 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.610 -2.783 -4.356 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.970 -2.811 -4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.368 -0.836 -3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.198 -1.818 -2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.787 -1.792 -2.289 1.00 0.00 H new