USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 591 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 SER OG : rot -12:sc= 0.53 USER MOD Single : A 9 MET CE :methyl 170:sc= -0.404 (180deg=-0.649) USER MOD Single : A 10 GLN : amide:sc= -0.0636 K(o=-0.064,f=-3.3!) USER MOD Single : A 14 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.152) USER MOD Single : A 15 THR OG1 : rot -87:sc= -1.76! USER MOD Single : A 17 THR OG1 : rot -49:sc= 1.11 USER MOD Single : A 19 LYS NZ :NH3+ 153:sc= -0.0865 (180deg=-0.536) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -81:sc= 0.00232 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00924 USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 41 LYS NZ :NH3+ -172:sc= -2.41! (180deg=-2.83!) USER MOD Single : A 48 GLN : amide:sc= -3.11 K(o=-3.1,f=-4.9!) USER MOD Single : A 49 GLN : amide:sc= -2.19 K(o=-2.2,f=-3.6) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 63 THR OG1 : rot 61:sc= 0.933 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.094) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 116:sc= -4.22! USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 8 -4.479 10.065 -16.062 1.00 0.00 N ATOM 100 CA SER A 8 -5.604 10.505 -15.244 1.00 0.00 C ATOM 101 C SER A 8 -6.344 11.659 -15.913 1.00 0.00 C ATOM 102 O SER A 8 -5.726 12.589 -16.431 1.00 0.00 O ATOM 103 CB SER A 8 -5.117 10.932 -13.858 1.00 0.00 C ATOM 104 OG SER A 8 -3.792 11.431 -13.914 1.00 0.00 O ATOM 0 HA SER A 8 -6.294 9.668 -15.138 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.781 11.698 -13.456 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.160 10.083 -13.176 1.00 0.00 H new ATOM 0 HG SER A 8 -3.399 11.219 -14.786 1.00 0.00 H new ATOM 110 N MET A 9 -7.671 11.591 -15.898 1.00 0.00 N ATOM 111 CA MET A 9 -8.496 12.630 -16.502 1.00 0.00 C ATOM 112 C MET A 9 -9.515 13.166 -15.501 1.00 0.00 C ATOM 113 O MET A 9 -9.891 12.474 -14.555 1.00 0.00 O ATOM 114 CB MET A 9 -9.216 12.086 -17.738 1.00 0.00 C ATOM 115 CG MET A 9 -10.500 11.340 -17.414 1.00 0.00 C ATOM 116 SD MET A 9 -10.643 9.783 -18.310 1.00 0.00 S ATOM 117 CE MET A 9 -11.571 8.800 -17.135 1.00 0.00 C ATOM 0 H MET A 9 -8.198 10.827 -15.474 1.00 0.00 H new ATOM 0 HA MET A 9 -7.842 13.449 -16.802 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.446 12.914 -18.408 1.00 0.00 H new ATOM 0 HB3 MET A 9 -8.543 11.418 -18.276 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.541 11.143 -16.343 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.354 11.973 -17.655 1.00 0.00 H new ATOM 0 HE1 MET A 9 -11.893 7.873 -17.610 1.00 0.00 H new ATOM 0 HE2 MET A 9 -10.941 8.568 -16.277 1.00 0.00 H new ATOM 0 HE3 MET A 9 -12.445 9.360 -16.802 1.00 0.00 H new ATOM 127 N GLN A 10 -9.956 14.401 -15.716 1.00 0.00 N ATOM 128 CA GLN A 10 -10.931 15.029 -14.831 1.00 0.00 C ATOM 129 C GLN A 10 -12.347 14.855 -15.370 1.00 0.00 C ATOM 130 O GLN A 10 -12.576 14.938 -16.577 1.00 0.00 O ATOM 131 CB GLN A 10 -10.615 16.516 -14.663 1.00 0.00 C ATOM 132 CG GLN A 10 -9.638 16.806 -13.535 1.00 0.00 C ATOM 133 CD GLN A 10 -8.945 18.146 -13.693 1.00 0.00 C ATOM 134 OE1 GLN A 10 -9.591 19.194 -13.705 1.00 0.00 O ATOM 135 NE2 GLN A 10 -7.623 18.118 -13.816 1.00 0.00 N ATOM 0 H GLN A 10 -9.654 14.987 -16.495 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.870 14.540 -13.859 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.203 16.899 -15.597 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.543 17.057 -14.477 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -10.171 16.787 -12.584 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.888 16.016 -13.497 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.128 17.226 -13.801 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.102 18.988 -13.926 1.00 0.00 H new ATOM 144 N ILE A 11 -13.292 14.615 -14.468 1.00 0.00 N ATOM 145 CA ILE A 11 -14.686 14.430 -14.854 1.00 0.00 C ATOM 146 C ILE A 11 -15.596 15.397 -14.104 1.00 0.00 C ATOM 147 O ILE A 11 -15.214 15.955 -13.076 1.00 0.00 O ATOM 148 CB ILE A 11 -15.157 12.988 -14.590 1.00 0.00 C ATOM 149 CG1 ILE A 11 -15.247 12.726 -13.085 1.00 0.00 C ATOM 150 CG2 ILE A 11 -14.216 11.993 -15.251 1.00 0.00 C ATOM 151 CD1 ILE A 11 -15.700 11.324 -12.742 1.00 0.00 C ATOM 0 H ILE A 11 -13.119 14.544 -13.465 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.747 14.632 -15.923 1.00 0.00 H new ATOM 0 HB ILE A 11 -16.149 12.861 -15.022 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.271 12.904 -12.634 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.939 13.442 -12.640 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.563 10.978 -15.055 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.198 12.169 -16.327 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -13.212 12.118 -14.846 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.741 11.210 -11.659 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.690 11.148 -13.163 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -14.996 10.602 -13.157 1.00 0.00 H new ATOM 163 N PHE A 12 -16.804 15.588 -14.625 1.00 0.00 N ATOM 164 CA PHE A 12 -17.771 16.486 -14.004 1.00 0.00 C ATOM 165 C PHE A 12 -18.958 15.706 -13.446 1.00 0.00 C ATOM 166 O PHE A 12 -19.582 14.914 -14.152 1.00 0.00 O ATOM 167 CB PHE A 12 -18.259 17.523 -15.017 1.00 0.00 C ATOM 168 CG PHE A 12 -17.207 18.523 -15.405 1.00 0.00 C ATOM 169 CD1 PHE A 12 -16.756 19.463 -14.492 1.00 0.00 C ATOM 170 CD2 PHE A 12 -16.669 18.523 -16.682 1.00 0.00 C ATOM 171 CE1 PHE A 12 -15.789 20.385 -14.847 1.00 0.00 C ATOM 172 CE2 PHE A 12 -15.702 19.442 -17.042 1.00 0.00 C ATOM 173 CZ PHE A 12 -15.261 20.373 -16.123 1.00 0.00 C ATOM 0 H PHE A 12 -17.136 15.133 -15.475 1.00 0.00 H new ATOM 0 HA PHE A 12 -17.276 16.998 -13.179 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.608 17.008 -15.912 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -19.116 18.052 -14.599 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -17.164 19.475 -13.492 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -17.010 17.796 -17.404 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.447 21.114 -14.127 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -15.292 19.432 -18.041 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.504 21.091 -16.402 1.00 0.00 H new ATOM 183 N VAL A 13 -19.263 15.936 -12.173 1.00 0.00 N ATOM 184 CA VAL A 13 -20.375 15.256 -11.519 1.00 0.00 C ATOM 185 C VAL A 13 -21.294 16.252 -10.820 1.00 0.00 C ATOM 186 O VAL A 13 -20.833 17.225 -10.222 1.00 0.00 O ATOM 187 CB VAL A 13 -19.875 14.226 -10.489 1.00 0.00 C ATOM 188 CG1 VAL A 13 -18.811 13.329 -11.103 1.00 0.00 C ATOM 189 CG2 VAL A 13 -19.341 14.928 -9.249 1.00 0.00 C ATOM 0 H VAL A 13 -18.756 16.588 -11.574 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.932 14.738 -12.299 1.00 0.00 H new ATOM 0 HB VAL A 13 -20.716 13.600 -10.191 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -18.470 12.608 -10.360 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -19.231 12.798 -11.957 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -17.968 13.937 -11.432 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -18.992 14.185 -8.532 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -18.513 15.580 -9.528 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -20.135 15.523 -8.797 1.00 0.00 H new ATOM 199 N LYS A 14 -22.597 16.003 -10.899 1.00 0.00 N ATOM 200 CA LYS A 14 -23.582 16.876 -10.273 1.00 0.00 C ATOM 201 C LYS A 14 -24.002 16.334 -8.911 1.00 0.00 C ATOM 202 O LYS A 14 -24.402 15.175 -8.788 1.00 0.00 O ATOM 203 CB LYS A 14 -24.809 17.023 -11.176 1.00 0.00 C ATOM 204 CG LYS A 14 -24.636 18.059 -12.273 1.00 0.00 C ATOM 205 CD LYS A 14 -23.943 17.472 -13.491 1.00 0.00 C ATOM 206 CE LYS A 14 -23.653 18.538 -14.536 1.00 0.00 C ATOM 207 NZ LYS A 14 -24.818 18.766 -15.434 1.00 0.00 N ATOM 0 H LYS A 14 -22.995 15.203 -11.391 1.00 0.00 H new ATOM 0 HA LYS A 14 -23.124 17.855 -10.129 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -25.033 16.058 -11.631 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.670 17.294 -10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.611 18.451 -12.562 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -24.055 18.899 -11.893 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -23.011 16.997 -13.186 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -24.569 16.694 -13.928 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -23.390 19.472 -14.039 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -22.790 18.239 -15.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -24.497 18.779 -16.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -25.511 18.001 -15.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -25.262 19.678 -15.203 1.00 0.00 H new ATOM 221 N THR A 15 -23.911 17.179 -7.888 1.00 0.00 N ATOM 222 CA THR A 15 -24.282 16.784 -6.535 1.00 0.00 C ATOM 223 C THR A 15 -25.757 17.059 -6.268 1.00 0.00 C ATOM 224 O THR A 15 -26.485 17.514 -7.151 1.00 0.00 O ATOM 225 CB THR A 15 -23.435 17.523 -5.483 1.00 0.00 C ATOM 226 OG1 THR A 15 -23.820 18.901 -5.423 1.00 0.00 O ATOM 227 CG2 THR A 15 -21.953 17.419 -5.811 1.00 0.00 C ATOM 0 H THR A 15 -23.583 18.141 -7.971 1.00 0.00 H new ATOM 0 HA THR A 15 -24.094 15.713 -6.455 1.00 0.00 H new ATOM 0 HB THR A 15 -23.610 17.055 -4.514 1.00 0.00 H new ATOM 0 HG1 THR A 15 -23.319 19.410 -6.094 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.375 17.949 -5.054 1.00 0.00 H new ATOM 0 HG22 THR A 15 -21.656 16.370 -5.826 1.00 0.00 H new ATOM 0 HG23 THR A 15 -21.765 17.864 -6.788 1.00 0.00 H new ATOM 235 N LEU A 16 -26.193 16.781 -5.044 1.00 0.00 N ATOM 236 CA LEU A 16 -27.583 16.999 -4.659 1.00 0.00 C ATOM 237 C LEU A 16 -27.872 18.486 -4.478 1.00 0.00 C ATOM 238 O LEU A 16 -29.023 18.919 -4.539 1.00 0.00 O ATOM 239 CB LEU A 16 -27.899 16.246 -3.366 1.00 0.00 C ATOM 240 CG LEU A 16 -27.744 14.726 -3.419 1.00 0.00 C ATOM 241 CD1 LEU A 16 -27.610 14.154 -2.016 1.00 0.00 C ATOM 242 CD2 LEU A 16 -28.923 14.094 -4.144 1.00 0.00 C ATOM 0 H LEU A 16 -25.604 16.404 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 16 -28.219 16.619 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -27.251 16.630 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -28.924 16.477 -3.076 1.00 0.00 H new ATOM 0 HG LEU A 16 -26.835 14.492 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -27.501 13.071 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -26.733 14.582 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -28.500 14.398 -1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -28.795 13.012 -4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -29.846 14.337 -3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -28.973 14.480 -5.162 1.00 0.00 H new ATOM 254 N THR A 17 -26.817 19.266 -4.258 1.00 0.00 N ATOM 255 CA THR A 17 -26.956 20.704 -4.070 1.00 0.00 C ATOM 256 C THR A 17 -26.742 21.453 -5.380 1.00 0.00 C ATOM 257 O THR A 17 -26.351 22.620 -5.383 1.00 0.00 O ATOM 258 CB THR A 17 -25.960 21.233 -3.021 1.00 0.00 C ATOM 259 OG1 THR A 17 -26.183 22.629 -2.793 1.00 0.00 O ATOM 260 CG2 THR A 17 -24.526 21.010 -3.476 1.00 0.00 C ATOM 0 H THR A 17 -25.857 18.925 -4.206 1.00 0.00 H new ATOM 0 HA THR A 17 -27.972 20.879 -3.716 1.00 0.00 H new ATOM 0 HB THR A 17 -26.119 20.685 -2.092 1.00 0.00 H new ATOM 0 HG1 THR A 17 -26.236 23.097 -3.653 1.00 0.00 H new ATOM 0 HG21 THR A 17 -23.841 21.392 -2.719 1.00 0.00 H new ATOM 0 HG22 THR A 17 -24.351 19.944 -3.619 1.00 0.00 H new ATOM 0 HG23 THR A 17 -24.357 21.535 -4.416 1.00 0.00 H new ATOM 268 N GLY A 18 -27.001 20.775 -6.494 1.00 0.00 N ATOM 269 CA GLY A 18 -26.830 21.393 -7.796 1.00 0.00 C ATOM 270 C GLY A 18 -25.461 22.020 -7.965 1.00 0.00 C ATOM 271 O GLY A 18 -25.323 23.069 -8.595 1.00 0.00 O ATOM 0 H GLY A 18 -27.326 19.809 -6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -26.981 20.644 -8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -27.595 22.156 -7.936 1.00 0.00 H new ATOM 275 N LYS A 19 -24.444 21.377 -7.401 1.00 0.00 N ATOM 276 CA LYS A 19 -23.077 21.878 -7.491 1.00 0.00 C ATOM 277 C LYS A 19 -22.190 20.902 -8.257 1.00 0.00 C ATOM 278 O LYS A 19 -22.096 19.725 -7.906 1.00 0.00 O ATOM 279 CB LYS A 19 -22.505 22.113 -6.091 1.00 0.00 C ATOM 280 CG LYS A 19 -21.020 22.434 -6.088 1.00 0.00 C ATOM 281 CD LYS A 19 -20.180 21.182 -5.894 1.00 0.00 C ATOM 282 CE LYS A 19 -18.881 21.490 -5.165 1.00 0.00 C ATOM 283 NZ LYS A 19 -19.124 21.940 -3.766 1.00 0.00 N ATOM 0 H LYS A 19 -24.540 20.508 -6.877 1.00 0.00 H new ATOM 0 HA LYS A 19 -23.098 22.824 -8.032 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -23.047 22.933 -5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.678 21.225 -5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.748 22.914 -7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.802 23.146 -5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.750 20.444 -5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.958 20.738 -6.864 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.250 20.601 -5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.335 22.263 -5.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.298 21.708 -3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.279 22.968 -3.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.965 21.459 -3.388 1.00 0.00 H new ATOM 297 N THR A 20 -21.539 21.397 -9.305 1.00 0.00 N ATOM 298 CA THR A 20 -20.659 20.569 -10.120 1.00 0.00 C ATOM 299 C THR A 20 -19.241 20.558 -9.560 1.00 0.00 C ATOM 300 O THR A 20 -18.626 21.609 -9.382 1.00 0.00 O ATOM 301 CB THR A 20 -20.619 21.060 -11.579 1.00 0.00 C ATOM 302 OG1 THR A 20 -21.858 21.693 -11.918 1.00 0.00 O ATOM 303 CG2 THR A 20 -20.357 19.903 -12.532 1.00 0.00 C ATOM 0 H THR A 20 -21.605 22.368 -9.609 1.00 0.00 H new ATOM 0 HA THR A 20 -21.064 19.557 -10.096 1.00 0.00 H new ATOM 0 HB THR A 20 -19.806 21.780 -11.674 1.00 0.00 H new ATOM 0 HG1 THR A 20 -21.823 22.004 -12.847 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.333 20.274 -13.557 1.00 0.00 H new ATOM 0 HG22 THR A 20 -19.399 19.442 -12.290 1.00 0.00 H new ATOM 0 HG23 THR A 20 -21.151 19.163 -12.433 1.00 0.00 H new ATOM 311 N ILE A 21 -18.728 19.363 -9.287 1.00 0.00 N ATOM 312 CA ILE A 21 -17.381 19.215 -8.749 1.00 0.00 C ATOM 313 C ILE A 21 -16.511 18.368 -9.671 1.00 0.00 C ATOM 314 O ILE A 21 -16.935 17.316 -10.150 1.00 0.00 O ATOM 315 CB ILE A 21 -17.401 18.575 -7.349 1.00 0.00 C ATOM 316 CG1 ILE A 21 -15.974 18.362 -6.841 1.00 0.00 C ATOM 317 CG2 ILE A 21 -18.160 17.257 -7.380 1.00 0.00 C ATOM 318 CD1 ILE A 21 -15.431 16.979 -7.125 1.00 0.00 C ATOM 0 H ILE A 21 -19.224 18.483 -9.429 1.00 0.00 H new ATOM 0 HA ILE A 21 -16.959 20.217 -8.675 1.00 0.00 H new ATOM 0 HB ILE A 21 -17.913 19.251 -6.664 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.319 19.102 -7.301 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -15.950 18.539 -5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -18.165 16.817 -6.383 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -19.186 17.435 -7.704 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -17.674 16.573 -8.076 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.415 16.900 -6.737 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -16.063 16.234 -6.642 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -15.423 16.805 -8.201 1.00 0.00 H new ATOM 330 N THR A 22 -15.290 18.833 -9.915 1.00 0.00 N ATOM 331 CA THR A 22 -14.359 18.118 -10.779 1.00 0.00 C ATOM 332 C THR A 22 -13.642 17.009 -10.017 1.00 0.00 C ATOM 333 O THR A 22 -13.048 17.249 -8.964 1.00 0.00 O ATOM 334 CB THR A 22 -13.310 19.070 -11.384 1.00 0.00 C ATOM 335 OG1 THR A 22 -13.903 20.345 -11.653 1.00 0.00 O ATOM 336 CG2 THR A 22 -12.732 18.494 -12.668 1.00 0.00 C ATOM 0 H THR A 22 -14.923 19.702 -9.526 1.00 0.00 H new ATOM 0 HA THR A 22 -14.949 17.679 -11.584 1.00 0.00 H new ATOM 0 HB THR A 22 -12.502 19.190 -10.662 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.387 20.307 -12.504 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.994 19.184 -13.076 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.255 17.537 -12.455 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.532 18.348 -13.394 1.00 0.00 H new ATOM 344 N LEU A 23 -13.700 15.796 -10.554 1.00 0.00 N ATOM 345 CA LEU A 23 -13.055 14.649 -9.924 1.00 0.00 C ATOM 346 C LEU A 23 -11.986 14.056 -10.837 1.00 0.00 C ATOM 347 O LEU A 23 -12.153 14.011 -12.055 1.00 0.00 O ATOM 348 CB LEU A 23 -14.094 13.582 -9.577 1.00 0.00 C ATOM 349 CG LEU A 23 -13.748 12.665 -8.402 1.00 0.00 C ATOM 350 CD1 LEU A 23 -13.712 13.454 -7.102 1.00 0.00 C ATOM 351 CD2 LEU A 23 -14.747 11.521 -8.307 1.00 0.00 C ATOM 0 H LEU A 23 -14.187 15.581 -11.424 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.575 14.992 -9.007 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -15.038 14.081 -9.357 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -14.258 12.963 -10.459 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.758 12.243 -8.574 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.464 12.786 -6.277 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.958 14.238 -7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.688 13.905 -6.923 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.486 10.879 -7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.749 11.924 -8.158 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -14.723 10.940 -9.229 1.00 0.00 H new ATOM 363 N GLU A 24 -10.890 13.601 -10.238 1.00 0.00 N ATOM 364 CA GLU A 24 -9.794 13.010 -10.998 1.00 0.00 C ATOM 365 C GLU A 24 -9.925 11.491 -11.047 1.00 0.00 C ATOM 366 O GLU A 24 -9.912 10.821 -10.014 1.00 0.00 O ATOM 367 CB GLU A 24 -8.449 13.398 -10.382 1.00 0.00 C ATOM 368 CG GLU A 24 -7.729 14.502 -11.137 1.00 0.00 C ATOM 369 CD GLU A 24 -6.789 13.965 -12.200 1.00 0.00 C ATOM 370 OE1 GLU A 24 -7.273 13.616 -13.297 1.00 0.00 O ATOM 371 OE2 GLU A 24 -5.571 13.894 -11.934 1.00 0.00 O ATOM 0 H GLU A 24 -10.737 13.630 -9.230 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.842 13.395 -12.017 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.609 13.719 -9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.808 12.517 -10.345 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.464 15.157 -11.605 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.164 15.111 -10.431 1.00 0.00 H new ATOM 378 N VAL A 25 -10.051 10.952 -12.256 1.00 0.00 N ATOM 379 CA VAL A 25 -10.183 9.512 -12.442 1.00 0.00 C ATOM 380 C VAL A 25 -9.432 9.047 -13.685 1.00 0.00 C ATOM 381 O VAL A 25 -9.318 9.783 -14.664 1.00 0.00 O ATOM 382 CB VAL A 25 -11.660 9.095 -12.561 1.00 0.00 C ATOM 383 CG1 VAL A 25 -11.898 7.765 -11.862 1.00 0.00 C ATOM 384 CG2 VAL A 25 -12.567 10.176 -11.992 1.00 0.00 C ATOM 0 H VAL A 25 -10.064 11.492 -13.121 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.750 9.038 -11.561 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.900 8.971 -13.617 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.948 7.487 -11.957 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.276 6.996 -12.321 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.641 7.857 -10.807 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.607 9.864 -12.085 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.328 10.335 -10.940 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.416 11.104 -12.543 1.00 0.00 H new ATOM 394 N GLU A 26 -8.923 7.820 -13.637 1.00 0.00 N ATOM 395 CA GLU A 26 -8.183 7.257 -14.761 1.00 0.00 C ATOM 396 C GLU A 26 -9.129 6.593 -15.757 1.00 0.00 C ATOM 397 O GLU A 26 -10.236 6.175 -15.418 1.00 0.00 O ATOM 398 CB GLU A 26 -7.154 6.240 -14.263 1.00 0.00 C ATOM 399 CG GLU A 26 -6.427 6.677 -13.002 1.00 0.00 C ATOM 400 CD GLU A 26 -5.455 5.629 -12.497 1.00 0.00 C ATOM 401 OE1 GLU A 26 -5.047 4.762 -13.297 1.00 0.00 O ATOM 402 OE2 GLU A 26 -5.102 5.676 -11.300 1.00 0.00 O ATOM 0 H GLU A 26 -9.009 7.198 -12.834 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.664 8.071 -15.267 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.656 5.291 -14.073 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.422 6.061 -15.051 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.887 7.603 -13.201 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.157 6.895 -12.223 1.00 0.00 H new ATOM 409 N PRO A 27 -8.684 6.494 -17.019 1.00 0.00 N ATOM 410 CA PRO A 27 -9.475 5.883 -18.092 1.00 0.00 C ATOM 411 C PRO A 27 -9.616 4.375 -17.920 1.00 0.00 C ATOM 412 O PRO A 27 -10.409 3.733 -18.609 1.00 0.00 O ATOM 413 CB PRO A 27 -8.669 6.204 -19.353 1.00 0.00 C ATOM 414 CG PRO A 27 -7.270 6.381 -18.874 1.00 0.00 C ATOM 415 CD PRO A 27 -7.375 6.972 -17.495 1.00 0.00 C ATOM 0 HA PRO A 27 -10.496 6.264 -18.114 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.738 5.398 -20.083 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.038 7.107 -19.839 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.742 5.428 -18.851 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.710 7.039 -19.539 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.564 6.633 -16.850 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.329 8.061 -17.520 1.00 0.00 H new ATOM 423 N SER A 28 -8.842 3.814 -16.996 1.00 0.00 N ATOM 424 CA SER A 28 -8.879 2.379 -16.736 1.00 0.00 C ATOM 425 C SER A 28 -9.515 2.089 -15.380 1.00 0.00 C ATOM 426 O SER A 28 -9.873 0.950 -15.081 1.00 0.00 O ATOM 427 CB SER A 28 -7.466 1.794 -16.786 1.00 0.00 C ATOM 428 OG SER A 28 -6.488 2.813 -16.671 1.00 0.00 O ATOM 0 H SER A 28 -8.182 4.331 -16.415 1.00 0.00 H new ATOM 0 HA SER A 28 -9.486 1.910 -17.510 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.339 1.071 -15.980 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.325 1.254 -17.723 1.00 0.00 H new ATOM 0 HG SER A 28 -5.594 2.413 -16.704 1.00 0.00 H new ATOM 434 N ASP A 29 -9.652 3.128 -14.564 1.00 0.00 N ATOM 435 CA ASP A 29 -10.245 2.987 -13.239 1.00 0.00 C ATOM 436 C ASP A 29 -11.722 2.620 -13.342 1.00 0.00 C ATOM 437 O ASP A 29 -12.359 2.845 -14.371 1.00 0.00 O ATOM 438 CB ASP A 29 -10.083 4.283 -12.443 1.00 0.00 C ATOM 439 CG ASP A 29 -8.668 4.476 -11.934 1.00 0.00 C ATOM 440 OD1 ASP A 29 -7.769 3.736 -12.385 1.00 0.00 O ATOM 441 OD2 ASP A 29 -8.460 5.367 -11.084 1.00 0.00 O ATOM 0 H ASP A 29 -9.360 4.077 -14.797 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.724 2.183 -12.718 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.358 5.129 -13.072 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.772 4.276 -11.599 1.00 0.00 H new ATOM 446 N THR A 30 -12.262 2.053 -12.267 1.00 0.00 N ATOM 447 CA THR A 30 -13.663 1.652 -12.237 1.00 0.00 C ATOM 448 C THR A 30 -14.472 2.554 -11.312 1.00 0.00 C ATOM 449 O THR A 30 -13.916 3.402 -10.614 1.00 0.00 O ATOM 450 CB THR A 30 -13.820 0.191 -11.777 1.00 0.00 C ATOM 451 OG1 THR A 30 -12.899 -0.091 -10.717 1.00 0.00 O ATOM 452 CG2 THR A 30 -13.579 -0.769 -12.932 1.00 0.00 C ATOM 0 H THR A 30 -11.750 1.861 -11.406 1.00 0.00 H new ATOM 0 HA THR A 30 -14.041 1.746 -13.255 1.00 0.00 H new ATOM 0 HB THR A 30 -14.840 0.055 -11.418 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.007 -1.022 -10.429 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.695 -1.795 -12.583 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.300 -0.572 -13.725 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.569 -0.629 -13.317 1.00 0.00 H new ATOM 460 N ILE A 31 -15.788 2.364 -11.311 1.00 0.00 N ATOM 461 CA ILE A 31 -16.673 3.160 -10.470 1.00 0.00 C ATOM 462 C ILE A 31 -16.199 3.161 -9.020 1.00 0.00 C ATOM 463 O ILE A 31 -16.231 4.192 -8.348 1.00 0.00 O ATOM 464 CB ILE A 31 -18.121 2.638 -10.524 1.00 0.00 C ATOM 465 CG1 ILE A 31 -18.618 2.599 -11.971 1.00 0.00 C ATOM 466 CG2 ILE A 31 -19.030 3.508 -9.669 1.00 0.00 C ATOM 467 CD1 ILE A 31 -18.628 3.955 -12.643 1.00 0.00 C ATOM 0 H ILE A 31 -16.264 1.666 -11.883 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.647 4.178 -10.859 1.00 0.00 H new ATOM 0 HB ILE A 31 -18.141 1.624 -10.125 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -17.986 1.922 -12.546 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.626 2.186 -11.989 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -20.050 3.126 -9.717 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -18.684 3.490 -8.635 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -19.008 4.532 -10.041 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.991 3.852 -13.665 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -19.283 4.630 -12.092 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.617 4.362 -12.657 1.00 0.00 H new ATOM 479 N GLU A 32 -15.759 2.000 -8.546 1.00 0.00 N ATOM 480 CA GLU A 32 -15.277 1.868 -7.176 1.00 0.00 C ATOM 481 C GLU A 32 -14.178 2.886 -6.886 1.00 0.00 C ATOM 482 O GLU A 32 -14.045 3.368 -5.761 1.00 0.00 O ATOM 483 CB GLU A 32 -14.754 0.452 -6.930 1.00 0.00 C ATOM 484 CG GLU A 32 -13.735 -0.008 -7.959 1.00 0.00 C ATOM 485 CD GLU A 32 -12.946 -1.218 -7.499 1.00 0.00 C ATOM 486 OE1 GLU A 32 -12.401 -1.179 -6.376 1.00 0.00 O ATOM 487 OE2 GLU A 32 -12.874 -2.204 -8.261 1.00 0.00 O ATOM 0 H GLU A 32 -15.726 1.138 -9.090 1.00 0.00 H new ATOM 0 HA GLU A 32 -16.113 2.060 -6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -14.302 0.408 -5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.595 -0.242 -6.928 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.248 -0.246 -8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.047 0.810 -8.174 1.00 0.00 H new ATOM 494 N ASN A 33 -13.392 3.208 -7.908 1.00 0.00 N ATOM 495 CA ASN A 33 -12.303 4.167 -7.763 1.00 0.00 C ATOM 496 C ASN A 33 -12.837 5.596 -7.741 1.00 0.00 C ATOM 497 O ASN A 33 -12.284 6.467 -7.068 1.00 0.00 O ATOM 498 CB ASN A 33 -11.297 4.005 -8.904 1.00 0.00 C ATOM 499 CG ASN A 33 -10.069 3.221 -8.485 1.00 0.00 C ATOM 500 OD1 ASN A 33 -10.132 2.009 -8.281 1.00 0.00 O ATOM 501 ND2 ASN A 33 -8.943 3.912 -8.353 1.00 0.00 N ATOM 0 H ASN A 33 -13.489 2.819 -8.846 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.802 3.970 -6.815 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.779 3.500 -9.741 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.992 4.990 -9.259 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.084 3.439 -8.072 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.937 4.916 -8.532 1.00 0.00 H new ATOM 508 N VAL A 34 -13.916 5.831 -8.480 1.00 0.00 N ATOM 509 CA VAL A 34 -14.527 7.154 -8.544 1.00 0.00 C ATOM 510 C VAL A 34 -14.929 7.641 -7.157 1.00 0.00 C ATOM 511 O VAL A 34 -14.530 8.723 -6.727 1.00 0.00 O ATOM 512 CB VAL A 34 -15.767 7.156 -9.457 1.00 0.00 C ATOM 513 CG1 VAL A 34 -16.427 8.527 -9.459 1.00 0.00 C ATOM 514 CG2 VAL A 34 -15.390 6.735 -10.869 1.00 0.00 C ATOM 0 H VAL A 34 -14.386 5.122 -9.043 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.779 7.829 -8.960 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.485 6.434 -9.067 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -17.301 8.509 -10.110 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -16.734 8.784 -8.445 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.719 9.271 -9.823 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.279 6.742 -11.500 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.653 7.430 -11.272 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -14.968 5.730 -10.849 1.00 0.00 H new ATOM 524 N LYS A 35 -15.723 6.835 -6.460 1.00 0.00 N ATOM 525 CA LYS A 35 -16.179 7.181 -5.119 1.00 0.00 C ATOM 526 C LYS A 35 -14.996 7.425 -4.188 1.00 0.00 C ATOM 527 O LYS A 35 -15.102 8.176 -3.219 1.00 0.00 O ATOM 528 CB LYS A 35 -17.065 6.068 -4.556 1.00 0.00 C ATOM 529 CG LYS A 35 -16.285 4.858 -4.071 1.00 0.00 C ATOM 530 CD LYS A 35 -16.054 4.907 -2.570 1.00 0.00 C ATOM 531 CE LYS A 35 -15.735 3.530 -2.009 1.00 0.00 C ATOM 532 NZ LYS A 35 -14.788 3.604 -0.863 1.00 0.00 N ATOM 0 H LYS A 35 -16.064 5.937 -6.802 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.761 8.100 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.653 6.466 -3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.770 5.752 -5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.828 3.948 -4.327 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.326 4.812 -4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -15.233 5.590 -2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.941 5.305 -2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.657 3.046 -1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.306 2.908 -2.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.596 2.645 -0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.898 4.042 -1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.207 4.176 -0.103 1.00 0.00 H new ATOM 546 N ALA A 36 -13.870 6.787 -4.489 1.00 0.00 N ATOM 547 CA ALA A 36 -12.667 6.938 -3.681 1.00 0.00 C ATOM 548 C ALA A 36 -12.285 8.407 -3.533 1.00 0.00 C ATOM 549 O ALA A 36 -11.968 8.870 -2.438 1.00 0.00 O ATOM 550 CB ALA A 36 -11.518 6.151 -4.293 1.00 0.00 C ATOM 0 H ALA A 36 -13.766 6.160 -5.287 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.875 6.542 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.626 6.273 -3.679 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.785 5.095 -4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.319 6.520 -5.299 1.00 0.00 H new ATOM 556 N LYS A 37 -12.316 9.136 -4.644 1.00 0.00 N ATOM 557 CA LYS A 37 -11.974 10.553 -4.639 1.00 0.00 C ATOM 558 C LYS A 37 -13.109 11.385 -4.051 1.00 0.00 C ATOM 559 O LYS A 37 -12.876 12.442 -3.464 1.00 0.00 O ATOM 560 CB LYS A 37 -11.663 11.028 -6.060 1.00 0.00 C ATOM 561 CG LYS A 37 -10.887 12.333 -6.109 1.00 0.00 C ATOM 562 CD LYS A 37 -9.398 12.105 -5.907 1.00 0.00 C ATOM 563 CE LYS A 37 -8.639 13.420 -5.823 1.00 0.00 C ATOM 564 NZ LYS A 37 -7.197 13.210 -5.516 1.00 0.00 N ATOM 0 H LYS A 37 -12.575 8.768 -5.560 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.090 10.685 -4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.092 10.256 -6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.598 11.150 -6.606 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.054 12.821 -7.069 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.260 13.008 -5.339 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.237 11.532 -4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.005 11.509 -6.731 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.735 13.956 -6.768 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.086 14.049 -5.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.715 14.130 -5.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.104 12.722 -4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.764 12.631 -6.264 1.00 0.00 H new ATOM 578 N ILE A 38 -14.336 10.901 -4.212 1.00 0.00 N ATOM 579 CA ILE A 38 -15.506 11.599 -3.694 1.00 0.00 C ATOM 580 C ILE A 38 -15.447 11.719 -2.175 1.00 0.00 C ATOM 581 O ILE A 38 -15.975 12.669 -1.598 1.00 0.00 O ATOM 582 CB ILE A 38 -16.810 10.883 -4.091 1.00 0.00 C ATOM 583 CG1 ILE A 38 -16.953 10.843 -5.614 1.00 0.00 C ATOM 584 CG2 ILE A 38 -18.009 11.576 -3.460 1.00 0.00 C ATOM 585 CD1 ILE A 38 -17.087 12.211 -6.245 1.00 0.00 C ATOM 0 H ILE A 38 -14.546 10.028 -4.697 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.500 12.596 -4.135 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.771 9.858 -3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.085 10.339 -6.039 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.827 10.245 -5.873 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -18.923 11.058 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -17.910 11.557 -2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.054 12.610 -3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -17.184 12.105 -7.325 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -17.971 12.710 -5.848 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.202 12.805 -6.017 1.00 0.00 H new ATOM 597 N GLN A 39 -14.800 10.751 -1.535 1.00 0.00 N ATOM 598 CA GLN A 39 -14.671 10.749 -0.083 1.00 0.00 C ATOM 599 C GLN A 39 -14.055 12.054 0.410 1.00 0.00 C ATOM 600 O GLN A 39 -14.364 12.523 1.506 1.00 0.00 O ATOM 601 CB GLN A 39 -13.818 9.564 0.373 1.00 0.00 C ATOM 602 CG GLN A 39 -14.610 8.281 0.561 1.00 0.00 C ATOM 603 CD GLN A 39 -13.747 7.125 1.028 1.00 0.00 C ATOM 604 OE1 GLN A 39 -12.711 6.828 0.432 1.00 0.00 O ATOM 605 NE2 GLN A 39 -14.170 6.466 2.101 1.00 0.00 N ATOM 0 H GLN A 39 -14.357 9.958 -1.999 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.669 10.655 0.345 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.030 9.391 -0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.328 9.820 1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.405 8.452 1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -15.090 8.014 -0.380 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.035 6.746 2.564 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.630 5.680 2.462 1.00 0.00 H new ATOM 614 N ASP A 40 -13.183 12.636 -0.405 1.00 0.00 N ATOM 615 CA ASP A 40 -12.523 13.888 -0.052 1.00 0.00 C ATOM 616 C ASP A 40 -13.463 15.073 -0.255 1.00 0.00 C ATOM 617 O ASP A 40 -13.277 16.135 0.339 1.00 0.00 O ATOM 618 CB ASP A 40 -11.257 14.076 -0.889 1.00 0.00 C ATOM 619 CG ASP A 40 -10.397 15.219 -0.388 1.00 0.00 C ATOM 620 OD1 ASP A 40 -10.025 15.205 0.804 1.00 0.00 O ATOM 621 OD2 ASP A 40 -10.094 16.129 -1.189 1.00 0.00 O ATOM 0 H ASP A 40 -12.916 12.261 -1.315 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.248 13.841 1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.675 13.154 -0.875 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.535 14.262 -1.926 1.00 0.00 H new ATOM 626 N LYS A 41 -14.471 14.884 -1.100 1.00 0.00 N ATOM 627 CA LYS A 41 -15.440 15.936 -1.383 1.00 0.00 C ATOM 628 C LYS A 41 -16.567 15.929 -0.354 1.00 0.00 C ATOM 629 O LYS A 41 -16.915 16.968 0.204 1.00 0.00 O ATOM 630 CB LYS A 41 -16.018 15.762 -2.789 1.00 0.00 C ATOM 631 CG LYS A 41 -14.985 15.352 -3.824 1.00 0.00 C ATOM 632 CD LYS A 41 -13.933 16.432 -4.019 1.00 0.00 C ATOM 633 CE LYS A 41 -12.577 15.833 -4.363 1.00 0.00 C ATOM 634 NZ LYS A 41 -12.201 16.090 -5.781 1.00 0.00 N ATOM 0 H LYS A 41 -14.638 14.011 -1.601 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.924 16.895 -1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.807 15.011 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.481 16.698 -3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.503 14.425 -3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.480 15.149 -4.774 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.246 17.107 -4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.849 17.028 -3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.817 16.252 -3.704 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.598 14.758 -4.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.341 15.555 -6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.976 15.789 -6.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.023 17.106 -5.914 1.00 0.00 H new ATOM 648 N GLU A 42 -17.130 14.750 -0.109 1.00 0.00 N ATOM 649 CA GLU A 42 -18.217 14.609 0.853 1.00 0.00 C ATOM 650 C GLU A 42 -17.833 13.643 1.970 1.00 0.00 C ATOM 651 O GLU A 42 -18.204 13.835 3.127 1.00 0.00 O ATOM 652 CB GLU A 42 -19.486 14.119 0.154 1.00 0.00 C ATOM 653 CG GLU A 42 -19.882 14.960 -1.048 1.00 0.00 C ATOM 654 CD GLU A 42 -20.353 16.348 -0.660 1.00 0.00 C ATOM 655 OE1 GLU A 42 -19.498 17.188 -0.308 1.00 0.00 O ATOM 656 OE2 GLU A 42 -21.576 16.594 -0.708 1.00 0.00 O ATOM 0 H GLU A 42 -16.852 13.880 -0.563 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.408 15.588 1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.339 13.088 -0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.307 14.115 0.871 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.031 15.045 -1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -20.675 14.452 -1.597 1.00 0.00 H new ATOM 663 N GLY A 43 -17.086 12.601 1.613 1.00 0.00 N ATOM 664 CA GLY A 43 -16.664 11.620 2.595 1.00 0.00 C ATOM 665 C GLY A 43 -17.789 10.690 3.006 1.00 0.00 C ATOM 666 O GLY A 43 -18.167 10.642 4.177 1.00 0.00 O ATOM 0 H GLY A 43 -16.766 12.420 0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -15.842 11.032 2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -16.281 12.134 3.477 1.00 0.00 H new ATOM 670 N ILE A 44 -18.327 9.952 2.041 1.00 0.00 N ATOM 671 CA ILE A 44 -19.415 9.021 2.309 1.00 0.00 C ATOM 672 C ILE A 44 -19.067 7.615 1.831 1.00 0.00 C ATOM 673 O ILE A 44 -18.300 7.427 0.886 1.00 0.00 O ATOM 674 CB ILE A 44 -20.723 9.472 1.631 1.00 0.00 C ATOM 675 CG1 ILE A 44 -20.469 9.813 0.161 1.00 0.00 C ATOM 676 CG2 ILE A 44 -21.314 10.667 2.364 1.00 0.00 C ATOM 677 CD1 ILE A 44 -21.713 10.245 -0.582 1.00 0.00 C ATOM 0 H ILE A 44 -18.027 9.981 1.067 1.00 0.00 H new ATOM 0 HA ILE A 44 -19.560 9.010 3.389 1.00 0.00 H new ATOM 0 HB ILE A 44 -21.440 8.653 1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -19.727 10.609 0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -20.042 8.943 -0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -22.238 10.974 1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -21.526 10.392 3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -20.602 11.492 2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -21.458 10.471 -1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -22.449 9.442 -0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -22.129 11.134 -0.108 1.00 0.00 H new ATOM 689 N PRO A 45 -19.644 6.604 2.496 1.00 0.00 N ATOM 690 CA PRO A 45 -19.411 5.197 2.155 1.00 0.00 C ATOM 691 C PRO A 45 -20.044 4.811 0.823 1.00 0.00 C ATOM 692 O PRO A 45 -20.859 5.543 0.260 1.00 0.00 O ATOM 693 CB PRO A 45 -20.079 4.438 3.305 1.00 0.00 C ATOM 694 CG PRO A 45 -21.122 5.369 3.818 1.00 0.00 C ATOM 695 CD PRO A 45 -20.568 6.755 3.633 1.00 0.00 C ATOM 0 HA PRO A 45 -18.350 4.976 2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -20.519 3.503 2.959 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -19.359 4.183 4.082 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.057 5.246 3.272 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -21.338 5.172 4.868 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -21.356 7.477 3.418 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.051 7.104 4.527 1.00 0.00 H new ATOM 703 N PRO A 46 -19.663 3.634 0.305 1.00 0.00 N ATOM 704 CA PRO A 46 -20.183 3.124 -0.968 1.00 0.00 C ATOM 705 C PRO A 46 -21.650 2.719 -0.874 1.00 0.00 C ATOM 706 O PRO A 46 -22.346 2.634 -1.886 1.00 0.00 O ATOM 707 CB PRO A 46 -19.307 1.900 -1.243 1.00 0.00 C ATOM 708 CG PRO A 46 -18.839 1.458 0.101 1.00 0.00 C ATOM 709 CD PRO A 46 -18.696 2.710 0.921 1.00 0.00 C ATOM 0 HA PRO A 46 -20.146 3.877 -1.755 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -19.872 1.114 -1.744 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -18.468 2.152 -1.891 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -19.553 0.772 0.557 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.889 0.928 0.029 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -18.925 2.531 1.971 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -17.681 3.104 0.879 1.00 0.00 H new ATOM 717 N ASP A 47 -22.113 2.471 0.346 1.00 0.00 N ATOM 718 CA ASP A 47 -23.499 2.076 0.572 1.00 0.00 C ATOM 719 C ASP A 47 -24.421 3.291 0.548 1.00 0.00 C ATOM 720 O ASP A 47 -25.603 3.178 0.225 1.00 0.00 O ATOM 721 CB ASP A 47 -23.632 1.346 1.909 1.00 0.00 C ATOM 722 CG ASP A 47 -22.910 0.013 1.915 1.00 0.00 C ATOM 723 OD1 ASP A 47 -22.767 -0.589 0.831 1.00 0.00 O ATOM 724 OD2 ASP A 47 -22.489 -0.429 3.005 1.00 0.00 O ATOM 0 H ASP A 47 -21.549 2.536 1.194 1.00 0.00 H new ATOM 0 HA ASP A 47 -23.795 1.402 -0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.233 1.975 2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -24.688 1.185 2.128 1.00 0.00 H new ATOM 729 N GLN A 48 -23.872 4.451 0.892 1.00 0.00 N ATOM 730 CA GLN A 48 -24.646 5.687 0.911 1.00 0.00 C ATOM 731 C GLN A 48 -24.500 6.441 -0.406 1.00 0.00 C ATOM 732 O GLN A 48 -25.374 7.219 -0.786 1.00 0.00 O ATOM 733 CB GLN A 48 -24.200 6.575 2.074 1.00 0.00 C ATOM 734 CG GLN A 48 -24.828 6.195 3.405 1.00 0.00 C ATOM 735 CD GLN A 48 -24.748 4.708 3.686 1.00 0.00 C ATOM 736 OE1 GLN A 48 -25.459 3.910 3.075 1.00 0.00 O ATOM 737 NE2 GLN A 48 -23.878 4.326 4.614 1.00 0.00 N ATOM 0 H GLN A 48 -22.894 4.561 1.161 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.696 5.427 1.044 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.115 6.522 2.165 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.451 7.611 1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -24.328 6.739 4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -25.873 6.506 3.411 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -23.308 5.021 5.096 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -23.779 3.337 4.845 1.00 0.00 H new ATOM 746 N GLN A 49 -23.389 6.207 -1.096 1.00 0.00 N ATOM 747 CA GLN A 49 -23.128 6.866 -2.371 1.00 0.00 C ATOM 748 C GLN A 49 -23.474 5.948 -3.539 1.00 0.00 C ATOM 749 O GLN A 49 -23.330 4.729 -3.447 1.00 0.00 O ATOM 750 CB GLN A 49 -21.662 7.291 -2.458 1.00 0.00 C ATOM 751 CG GLN A 49 -20.712 6.143 -2.759 1.00 0.00 C ATOM 752 CD GLN A 49 -20.169 6.190 -4.174 1.00 0.00 C ATOM 753 OE1 GLN A 49 -19.762 7.246 -4.660 1.00 0.00 O ATOM 754 NE2 GLN A 49 -20.159 5.043 -4.843 1.00 0.00 N ATOM 0 H GLN A 49 -22.655 5.566 -0.794 1.00 0.00 H new ATOM 0 HA GLN A 49 -23.760 7.752 -2.430 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -21.558 8.050 -3.233 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -21.371 7.755 -1.516 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -19.881 6.170 -2.054 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -21.231 5.197 -2.604 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -20.506 4.192 -4.401 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.804 5.013 -5.799 1.00 0.00 H new ATOM 763 N ARG A 50 -23.932 6.543 -4.636 1.00 0.00 N ATOM 764 CA ARG A 50 -24.300 5.778 -5.822 1.00 0.00 C ATOM 765 C ARG A 50 -24.145 6.623 -7.083 1.00 0.00 C ATOM 766 O ARG A 50 -24.582 7.774 -7.130 1.00 0.00 O ATOM 767 CB ARG A 50 -25.741 5.278 -5.705 1.00 0.00 C ATOM 768 CG ARG A 50 -25.847 3.788 -5.424 1.00 0.00 C ATOM 769 CD ARG A 50 -27.056 3.468 -4.558 1.00 0.00 C ATOM 770 NE ARG A 50 -27.947 2.504 -5.197 1.00 0.00 N ATOM 771 CZ ARG A 50 -28.775 2.813 -6.189 1.00 0.00 C ATOM 772 NH1 ARG A 50 -28.824 4.053 -6.653 1.00 0.00 N ATOM 773 NH2 ARG A 50 -29.555 1.879 -6.719 1.00 0.00 N ATOM 0 H ARG A 50 -24.057 7.551 -4.728 1.00 0.00 H new ATOM 0 HA ARG A 50 -23.630 4.921 -5.894 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -26.243 5.826 -4.908 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -26.271 5.503 -6.630 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -25.918 3.243 -6.366 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -24.940 3.445 -4.925 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -26.721 3.072 -3.600 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -27.605 4.386 -4.349 1.00 0.00 H new ATOM 0 HE ARG A 50 -27.933 1.540 -4.863 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -28.225 4.773 -6.249 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -29.461 4.288 -7.415 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -29.519 0.923 -6.365 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -30.190 2.117 -7.481 1.00 0.00 H new ATOM 787 N LEU A 51 -23.521 6.045 -8.103 1.00 0.00 N ATOM 788 CA LEU A 51 -23.308 6.744 -9.365 1.00 0.00 C ATOM 789 C LEU A 51 -24.417 6.422 -10.361 1.00 0.00 C ATOM 790 O LEU A 51 -24.818 5.267 -10.506 1.00 0.00 O ATOM 791 CB LEU A 51 -21.949 6.365 -9.958 1.00 0.00 C ATOM 792 CG LEU A 51 -20.737 7.093 -9.378 1.00 0.00 C ATOM 793 CD1 LEU A 51 -20.879 8.596 -9.562 1.00 0.00 C ATOM 794 CD2 LEU A 51 -20.561 6.748 -7.906 1.00 0.00 C ATOM 0 H LEU A 51 -23.154 5.094 -8.081 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.325 7.815 -9.165 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.803 5.293 -9.823 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -21.979 6.550 -11.032 1.00 0.00 H new ATOM 0 HG LEU A 51 -19.848 6.764 -9.916 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -20.007 9.098 -9.143 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -20.955 8.827 -10.625 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -21.777 8.942 -9.050 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -19.693 7.275 -7.510 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -21.451 7.048 -7.353 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -20.412 5.673 -7.799 1.00 0.00 H new ATOM 806 N ILE A 52 -24.908 7.450 -11.045 1.00 0.00 N ATOM 807 CA ILE A 52 -25.969 7.276 -12.029 1.00 0.00 C ATOM 808 C ILE A 52 -25.514 7.723 -13.414 1.00 0.00 C ATOM 809 O ILE A 52 -24.803 8.719 -13.554 1.00 0.00 O ATOM 810 CB ILE A 52 -27.234 8.062 -11.638 1.00 0.00 C ATOM 811 CG1 ILE A 52 -27.532 7.883 -10.148 1.00 0.00 C ATOM 812 CG2 ILE A 52 -28.419 7.610 -12.479 1.00 0.00 C ATOM 813 CD1 ILE A 52 -27.717 6.439 -9.738 1.00 0.00 C ATOM 0 H ILE A 52 -24.588 8.412 -10.936 1.00 0.00 H new ATOM 0 HA ILE A 52 -26.205 6.212 -12.053 1.00 0.00 H new ATOM 0 HB ILE A 52 -27.060 9.121 -11.830 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -26.716 8.315 -9.568 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -28.433 8.442 -9.896 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -29.306 8.175 -12.191 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -28.204 7.784 -13.533 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -28.597 6.547 -12.316 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -27.925 6.388 -8.669 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -28.551 6.008 -10.291 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.808 5.879 -9.958 1.00 0.00 H new ATOM 825 N PHE A 53 -25.929 6.982 -14.435 1.00 0.00 N ATOM 826 CA PHE A 53 -25.565 7.303 -15.810 1.00 0.00 C ATOM 827 C PHE A 53 -26.731 7.039 -16.758 1.00 0.00 C ATOM 828 O PHE A 53 -27.169 5.900 -16.919 1.00 0.00 O ATOM 829 CB PHE A 53 -24.347 6.483 -16.242 1.00 0.00 C ATOM 830 CG PHE A 53 -23.657 7.030 -17.459 1.00 0.00 C ATOM 831 CD1 PHE A 53 -23.082 8.290 -17.437 1.00 0.00 C ATOM 832 CD2 PHE A 53 -23.582 6.283 -18.624 1.00 0.00 C ATOM 833 CE1 PHE A 53 -22.447 8.796 -18.555 1.00 0.00 C ATOM 834 CE2 PHE A 53 -22.948 6.784 -19.745 1.00 0.00 C ATOM 835 CZ PHE A 53 -22.378 8.042 -19.710 1.00 0.00 C ATOM 0 H PHE A 53 -26.518 6.155 -14.337 1.00 0.00 H new ATOM 0 HA PHE A 53 -25.316 8.363 -15.855 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -23.635 6.443 -15.418 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -24.661 5.459 -16.442 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -23.131 8.883 -16.536 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -24.024 5.298 -18.656 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -22.005 9.781 -18.526 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -22.898 6.193 -20.647 1.00 0.00 H new ATOM 0 HZ PHE A 53 -21.880 8.435 -20.584 1.00 0.00 H new ATOM 845 N ALA A 54 -27.231 8.101 -17.381 1.00 0.00 N ATOM 846 CA ALA A 54 -28.345 7.986 -18.314 1.00 0.00 C ATOM 847 C ALA A 54 -29.530 7.276 -17.667 1.00 0.00 C ATOM 848 O ALA A 54 -30.255 6.531 -18.326 1.00 0.00 O ATOM 849 CB ALA A 54 -27.908 7.248 -19.571 1.00 0.00 C ATOM 0 H ALA A 54 -26.882 9.051 -17.256 1.00 0.00 H new ATOM 0 HA ALA A 54 -28.662 8.992 -18.589 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -28.750 7.170 -20.258 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -27.097 7.796 -20.051 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -27.563 6.249 -19.305 1.00 0.00 H new ATOM 855 N GLY A 55 -29.722 7.512 -16.373 1.00 0.00 N ATOM 856 CA GLY A 55 -30.820 6.887 -15.659 1.00 0.00 C ATOM 857 C GLY A 55 -30.522 5.450 -15.282 1.00 0.00 C ATOM 858 O GLY A 55 -31.432 4.681 -14.967 1.00 0.00 O ATOM 0 H GLY A 55 -29.136 8.125 -15.806 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -31.035 7.459 -14.757 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -31.717 6.919 -16.278 1.00 0.00 H new ATOM 862 N LYS A 56 -29.246 5.083 -15.315 1.00 0.00 N ATOM 863 CA LYS A 56 -28.829 3.728 -14.974 1.00 0.00 C ATOM 864 C LYS A 56 -27.770 3.744 -13.876 1.00 0.00 C ATOM 865 O LYS A 56 -26.734 4.394 -14.011 1.00 0.00 O ATOM 866 CB LYS A 56 -28.285 3.013 -16.212 1.00 0.00 C ATOM 867 CG LYS A 56 -27.995 1.539 -15.986 1.00 0.00 C ATOM 868 CD LYS A 56 -29.274 0.720 -15.936 1.00 0.00 C ATOM 869 CE LYS A 56 -29.128 -0.488 -15.024 1.00 0.00 C ATOM 870 NZ LYS A 56 -28.341 -1.576 -15.667 1.00 0.00 N ATOM 0 H LYS A 56 -28.481 5.706 -15.575 1.00 0.00 H new ATOM 0 HA LYS A 56 -29.701 3.189 -14.605 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -29.005 3.112 -17.024 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -27.370 3.509 -16.535 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -27.355 1.167 -16.785 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -27.445 1.414 -15.053 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -30.094 1.346 -15.584 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -29.534 0.389 -16.941 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -28.641 -0.186 -14.097 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -30.116 -0.863 -14.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -28.264 -2.381 -15.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -28.819 -1.882 -16.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -27.389 -1.226 -15.899 1.00 0.00 H new ATOM 884 N GLN A 57 -28.037 3.023 -12.792 1.00 0.00 N ATOM 885 CA GLN A 57 -27.106 2.954 -11.672 1.00 0.00 C ATOM 886 C GLN A 57 -25.823 2.235 -12.075 1.00 0.00 C ATOM 887 O GLN A 57 -25.854 1.078 -12.496 1.00 0.00 O ATOM 888 CB GLN A 57 -27.754 2.241 -10.485 1.00 0.00 C ATOM 889 CG GLN A 57 -28.256 0.844 -10.815 1.00 0.00 C ATOM 890 CD GLN A 57 -29.033 0.218 -9.673 1.00 0.00 C ATOM 891 OE1 GLN A 57 -30.247 0.033 -9.762 1.00 0.00 O ATOM 892 NE2 GLN A 57 -28.336 -0.111 -8.592 1.00 0.00 N ATOM 0 H GLN A 57 -28.890 2.478 -12.666 1.00 0.00 H new ATOM 0 HA GLN A 57 -26.853 3.973 -11.379 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -27.031 2.176 -9.672 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -28.588 2.842 -10.122 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -28.891 0.890 -11.700 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -27.408 0.207 -11.065 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -27.331 0.060 -8.562 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -28.806 -0.535 -7.792 1.00 0.00 H new ATOM 901 N LEU A 58 -24.696 2.926 -11.943 1.00 0.00 N ATOM 902 CA LEU A 58 -23.401 2.353 -12.293 1.00 0.00 C ATOM 903 C LEU A 58 -22.894 1.437 -11.184 1.00 0.00 C ATOM 904 O LEU A 58 -23.292 1.568 -10.027 1.00 0.00 O ATOM 905 CB LEU A 58 -22.384 3.465 -12.557 1.00 0.00 C ATOM 906 CG LEU A 58 -22.796 4.520 -13.584 1.00 0.00 C ATOM 907 CD1 LEU A 58 -21.763 5.635 -13.647 1.00 0.00 C ATOM 908 CD2 LEU A 58 -22.982 3.886 -14.955 1.00 0.00 C ATOM 0 H LEU A 58 -24.653 3.884 -11.596 1.00 0.00 H new ATOM 0 HA LEU A 58 -23.526 1.761 -13.200 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -22.172 3.968 -11.614 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -21.453 3.007 -12.890 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.748 4.950 -13.272 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.073 6.377 -14.383 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.678 6.108 -12.669 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.797 5.220 -13.934 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -23.275 4.652 -15.673 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -22.046 3.428 -15.274 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -23.759 3.123 -14.901 1.00 0.00 H new ATOM 920 N GLU A 59 -22.011 0.511 -11.546 1.00 0.00 N ATOM 921 CA GLU A 59 -21.448 -0.425 -10.581 1.00 0.00 C ATOM 922 C GLU A 59 -20.040 -0.849 -10.991 1.00 0.00 C ATOM 923 O GLU A 59 -19.627 -0.645 -12.132 1.00 0.00 O ATOM 924 CB GLU A 59 -22.345 -1.658 -10.449 1.00 0.00 C ATOM 925 CG GLU A 59 -22.726 -2.279 -11.782 1.00 0.00 C ATOM 926 CD GLU A 59 -23.347 -3.653 -11.629 1.00 0.00 C ATOM 927 OE1 GLU A 59 -24.457 -3.744 -11.065 1.00 0.00 O ATOM 928 OE2 GLU A 59 -22.722 -4.639 -12.075 1.00 0.00 O ATOM 0 H GLU A 59 -21.671 0.390 -12.500 1.00 0.00 H new ATOM 0 HA GLU A 59 -21.391 0.079 -9.616 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -21.834 -2.406 -9.842 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -23.253 -1.380 -9.914 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -23.428 -1.623 -12.297 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.839 -2.353 -12.411 1.00 0.00 H new ATOM 935 N ASP A 60 -19.310 -1.440 -10.052 1.00 0.00 N ATOM 936 CA ASP A 60 -17.949 -1.894 -10.315 1.00 0.00 C ATOM 937 C ASP A 60 -17.922 -2.894 -11.466 1.00 0.00 C ATOM 938 O ASP A 60 -18.957 -3.208 -12.053 1.00 0.00 O ATOM 939 CB ASP A 60 -17.348 -2.527 -9.059 1.00 0.00 C ATOM 940 CG ASP A 60 -18.046 -3.815 -8.669 1.00 0.00 C ATOM 941 OD1 ASP A 60 -17.929 -4.804 -9.422 1.00 0.00 O ATOM 942 OD2 ASP A 60 -18.710 -3.834 -7.612 1.00 0.00 O ATOM 0 H ASP A 60 -19.637 -1.616 -9.102 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.352 -1.027 -10.597 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.290 -2.727 -9.227 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -17.411 -1.819 -8.233 1.00 0.00 H new ATOM 947 N GLY A 61 -16.731 -3.391 -11.785 1.00 0.00 N ATOM 948 CA GLY A 61 -16.591 -4.349 -12.865 1.00 0.00 C ATOM 949 C GLY A 61 -16.213 -3.692 -14.178 1.00 0.00 C ATOM 950 O GLY A 61 -15.369 -4.202 -14.915 1.00 0.00 O ATOM 0 H GLY A 61 -15.860 -3.147 -11.314 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.832 -5.084 -12.598 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.529 -4.890 -12.990 1.00 0.00 H new ATOM 954 N ARG A 62 -16.841 -2.558 -14.473 1.00 0.00 N ATOM 955 CA ARG A 62 -16.567 -1.832 -15.707 1.00 0.00 C ATOM 956 C ARG A 62 -15.845 -0.520 -15.417 1.00 0.00 C ATOM 957 O ARG A 62 -15.984 0.053 -14.336 1.00 0.00 O ATOM 958 CB ARG A 62 -17.870 -1.554 -16.459 1.00 0.00 C ATOM 959 CG ARG A 62 -18.178 -2.575 -17.542 1.00 0.00 C ATOM 960 CD ARG A 62 -19.289 -2.093 -18.462 1.00 0.00 C ATOM 961 NE ARG A 62 -19.670 -3.110 -19.439 1.00 0.00 N ATOM 962 CZ ARG A 62 -20.392 -2.853 -20.524 1.00 0.00 C ATOM 963 NH1 ARG A 62 -20.809 -1.619 -20.770 1.00 0.00 N ATOM 964 NH2 ARG A 62 -20.699 -3.832 -21.365 1.00 0.00 N ATOM 0 H ARG A 62 -17.543 -2.123 -13.874 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.921 -2.452 -16.329 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -18.694 -1.534 -15.746 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.815 -0.563 -16.910 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -17.279 -2.770 -18.127 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -18.469 -3.519 -17.081 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -20.160 -1.818 -17.866 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -18.963 -1.193 -18.984 1.00 0.00 H new ATOM 0 HE ARG A 62 -19.365 -4.070 -19.279 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -20.576 -0.864 -20.125 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -21.363 -1.425 -21.604 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -20.381 -4.783 -21.179 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -21.253 -3.634 -22.198 1.00 0.00 H new ATOM 978 N THR A 63 -15.072 -0.048 -16.391 1.00 0.00 N ATOM 979 CA THR A 63 -14.326 1.195 -16.240 1.00 0.00 C ATOM 980 C THR A 63 -15.096 2.373 -16.826 1.00 0.00 C ATOM 981 O THR A 63 -15.978 2.194 -17.667 1.00 0.00 O ATOM 982 CB THR A 63 -12.947 1.108 -16.920 1.00 0.00 C ATOM 983 OG1 THR A 63 -12.320 2.396 -16.922 1.00 0.00 O ATOM 984 CG2 THR A 63 -13.078 0.601 -18.348 1.00 0.00 C ATOM 0 H THR A 63 -14.947 -0.508 -17.293 1.00 0.00 H new ATOM 0 HA THR A 63 -14.186 1.352 -15.170 1.00 0.00 H new ATOM 0 HB THR A 63 -12.333 0.405 -16.357 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.195 2.700 -15.999 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.091 0.548 -18.807 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.529 -0.391 -18.342 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.708 1.282 -18.920 1.00 0.00 H new ATOM 992 N LEU A 64 -14.757 3.576 -16.378 1.00 0.00 N ATOM 993 CA LEU A 64 -15.417 4.785 -16.859 1.00 0.00 C ATOM 994 C LEU A 64 -15.368 4.863 -18.382 1.00 0.00 C ATOM 995 O LEU A 64 -16.337 5.266 -19.025 1.00 0.00 O ATOM 996 CB LEU A 64 -14.759 6.025 -16.252 1.00 0.00 C ATOM 997 CG LEU A 64 -14.700 6.074 -14.725 1.00 0.00 C ATOM 998 CD1 LEU A 64 -15.839 5.269 -14.121 1.00 0.00 C ATOM 999 CD2 LEU A 64 -13.357 5.560 -14.226 1.00 0.00 C ATOM 0 H LEU A 64 -14.029 3.741 -15.683 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.461 4.747 -16.549 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.742 6.097 -16.637 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.297 6.906 -16.603 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.809 7.112 -14.409 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.781 5.315 -13.034 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.792 5.682 -14.451 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -15.762 4.231 -14.444 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.333 5.602 -13.137 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.218 4.529 -14.552 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.557 6.180 -14.631 1.00 0.00 H new ATOM 1011 N SER A 65 -14.232 4.474 -18.953 1.00 0.00 N ATOM 1012 CA SER A 65 -14.056 4.501 -20.400 1.00 0.00 C ATOM 1013 C SER A 65 -15.066 3.588 -21.088 1.00 0.00 C ATOM 1014 O SER A 65 -15.605 3.924 -22.142 1.00 0.00 O ATOM 1015 CB SER A 65 -12.633 4.076 -20.769 1.00 0.00 C ATOM 1016 OG SER A 65 -12.479 3.980 -22.175 1.00 0.00 O ATOM 0 H SER A 65 -13.420 4.137 -18.436 1.00 0.00 H new ATOM 0 HA SER A 65 -14.224 5.522 -20.743 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.920 4.797 -20.370 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.406 3.115 -20.308 1.00 0.00 H new ATOM 0 HG SER A 65 -11.561 3.709 -22.386 1.00 0.00 H new ATOM 1022 N GLU A 66 -15.317 2.431 -20.482 1.00 0.00 N ATOM 1023 CA GLU A 66 -16.262 1.469 -21.037 1.00 0.00 C ATOM 1024 C GLU A 66 -17.700 1.931 -20.821 1.00 0.00 C ATOM 1025 O GLU A 66 -18.613 1.507 -21.530 1.00 0.00 O ATOM 1026 CB GLU A 66 -16.056 0.093 -20.399 1.00 0.00 C ATOM 1027 CG GLU A 66 -14.821 -0.634 -20.905 1.00 0.00 C ATOM 1028 CD GLU A 66 -15.084 -1.417 -22.176 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -16.115 -2.120 -22.236 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -14.260 -1.328 -23.110 1.00 0.00 O ATOM 0 H GLU A 66 -14.880 2.138 -19.608 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.079 1.396 -22.109 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.981 0.211 -19.318 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.934 -0.523 -20.592 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.027 0.090 -21.087 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.462 -1.313 -20.132 1.00 0.00 H new ATOM 1037 N TYR A 67 -17.893 2.803 -19.838 1.00 0.00 N ATOM 1038 CA TYR A 67 -19.219 3.322 -19.526 1.00 0.00 C ATOM 1039 C TYR A 67 -19.496 4.609 -20.296 1.00 0.00 C ATOM 1040 O TYR A 67 -20.442 5.335 -19.995 1.00 0.00 O ATOM 1041 CB TYR A 67 -19.350 3.576 -18.023 1.00 0.00 C ATOM 1042 CG TYR A 67 -19.924 2.405 -17.258 1.00 0.00 C ATOM 1043 CD1 TYR A 67 -21.132 1.829 -17.635 1.00 0.00 C ATOM 1044 CD2 TYR A 67 -19.261 1.875 -16.159 1.00 0.00 C ATOM 1045 CE1 TYR A 67 -21.661 0.760 -16.939 1.00 0.00 C ATOM 1046 CE2 TYR A 67 -19.782 0.804 -15.458 1.00 0.00 C ATOM 1047 CZ TYR A 67 -20.982 0.250 -15.852 1.00 0.00 C ATOM 1048 OH TYR A 67 -21.505 -0.815 -15.156 1.00 0.00 O ATOM 0 H TYR A 67 -17.148 3.165 -19.243 1.00 0.00 H new ATOM 0 HA TYR A 67 -19.953 2.575 -19.827 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.368 3.818 -17.617 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -19.984 4.448 -17.865 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.666 2.224 -18.487 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -18.322 2.307 -15.847 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.601 0.326 -17.244 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.252 0.403 -14.606 1.00 0.00 H new ATOM 0 HH TYR A 67 -20.903 -1.052 -14.420 1.00 0.00 H new ATOM 1058 N ASN A 68 -18.663 4.884 -21.294 1.00 0.00 N ATOM 1059 CA ASN A 68 -18.816 6.084 -22.110 1.00 0.00 C ATOM 1060 C ASN A 68 -18.599 7.341 -21.274 1.00 0.00 C ATOM 1061 O ASN A 68 -19.017 8.434 -21.658 1.00 0.00 O ATOM 1062 CB ASN A 68 -20.206 6.116 -22.749 1.00 0.00 C ATOM 1063 CG ASN A 68 -20.612 4.771 -23.319 1.00 0.00 C ATOM 1064 OD1 ASN A 68 -21.700 4.268 -23.039 1.00 0.00 O ATOM 1065 ND2 ASN A 68 -19.736 4.181 -24.124 1.00 0.00 N ATOM 0 H ASN A 68 -17.875 4.293 -21.558 1.00 0.00 H new ATOM 0 HA ASN A 68 -18.062 6.058 -22.897 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -20.938 6.428 -22.004 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -20.221 6.863 -23.543 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.954 3.274 -24.538 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -18.846 4.635 -24.329 1.00 0.00 H new ATOM 1072 N ILE A 69 -17.942 7.179 -20.131 1.00 0.00 N ATOM 1073 CA ILE A 69 -17.667 8.301 -19.242 1.00 0.00 C ATOM 1074 C ILE A 69 -16.287 8.890 -19.510 1.00 0.00 C ATOM 1075 O ILE A 69 -15.277 8.373 -19.032 1.00 0.00 O ATOM 1076 CB ILE A 69 -17.755 7.882 -17.762 1.00 0.00 C ATOM 1077 CG1 ILE A 69 -19.151 7.342 -17.445 1.00 0.00 C ATOM 1078 CG2 ILE A 69 -17.417 9.057 -16.858 1.00 0.00 C ATOM 1079 CD1 ILE A 69 -19.197 6.475 -16.206 1.00 0.00 C ATOM 0 H ILE A 69 -17.590 6.281 -19.798 1.00 0.00 H new ATOM 0 HA ILE A 69 -18.427 9.056 -19.444 1.00 0.00 H new ATOM 0 HB ILE A 69 -17.030 7.089 -17.580 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -19.836 8.180 -17.317 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.510 6.764 -18.297 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -17.484 8.745 -15.816 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -16.404 9.400 -17.070 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -18.121 9.870 -17.039 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -20.217 6.128 -16.043 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.538 5.617 -16.338 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -18.869 7.055 -15.344 1.00 0.00 H new ATOM 1091 N GLN A 70 -16.251 9.976 -20.276 1.00 0.00 N ATOM 1092 CA GLN A 70 -14.994 10.636 -20.607 1.00 0.00 C ATOM 1093 C GLN A 70 -14.681 11.743 -19.606 1.00 0.00 C ATOM 1094 O GLN A 70 -15.320 11.847 -18.559 1.00 0.00 O ATOM 1095 CB GLN A 70 -15.054 11.213 -22.022 1.00 0.00 C ATOM 1096 CG GLN A 70 -15.618 10.246 -23.051 1.00 0.00 C ATOM 1097 CD GLN A 70 -15.201 10.592 -24.467 1.00 0.00 C ATOM 1098 OE1 GLN A 70 -14.012 10.709 -24.765 1.00 0.00 O ATOM 1099 NE2 GLN A 70 -16.180 10.758 -25.348 1.00 0.00 N ATOM 0 H GLN A 70 -17.078 10.417 -20.679 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.198 9.893 -20.559 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.665 12.116 -22.011 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.051 11.510 -22.327 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.285 9.235 -22.815 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -16.706 10.246 -22.986 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -17.152 10.651 -25.057 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.961 10.992 -26.316 1.00 0.00 H new ATOM 1108 N LYS A 71 -13.693 12.569 -19.935 1.00 0.00 N ATOM 1109 CA LYS A 71 -13.294 13.670 -19.066 1.00 0.00 C ATOM 1110 C LYS A 71 -14.336 14.784 -19.086 1.00 0.00 C ATOM 1111 O LYS A 71 -14.252 15.738 -18.314 1.00 0.00 O ATOM 1112 CB LYS A 71 -11.934 14.221 -19.498 1.00 0.00 C ATOM 1113 CG LYS A 71 -11.976 14.985 -20.810 1.00 0.00 C ATOM 1114 CD LYS A 71 -10.583 15.187 -21.383 1.00 0.00 C ATOM 1115 CE LYS A 71 -9.708 16.004 -20.445 1.00 0.00 C ATOM 1116 NZ LYS A 71 -8.508 16.548 -21.139 1.00 0.00 N ATOM 0 H LYS A 71 -13.154 12.497 -20.798 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.217 13.287 -18.048 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.553 14.878 -18.717 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.229 13.395 -19.591 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.591 14.443 -21.528 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.450 15.954 -20.653 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.119 14.218 -21.564 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.654 15.691 -22.347 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.290 16.826 -20.029 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.392 15.381 -19.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.938 17.099 -20.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.939 15.763 -21.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.809 17.163 -21.922 1.00 0.00 H new ATOM 1130 N GLU A 72 -15.317 14.654 -19.974 1.00 0.00 N ATOM 1131 CA GLU A 72 -16.375 15.651 -20.093 1.00 0.00 C ATOM 1132 C GLU A 72 -17.749 15.009 -19.920 1.00 0.00 C ATOM 1133 O GLU A 72 -18.755 15.533 -20.398 1.00 0.00 O ATOM 1134 CB GLU A 72 -16.295 16.352 -21.450 1.00 0.00 C ATOM 1135 CG GLU A 72 -14.886 16.773 -21.835 1.00 0.00 C ATOM 1136 CD GLU A 72 -14.871 17.909 -22.839 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -15.934 18.192 -23.431 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -13.797 18.516 -23.034 1.00 0.00 O ATOM 0 H GLU A 72 -15.401 13.870 -20.620 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.235 16.388 -19.303 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.689 15.686 -22.218 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.937 17.233 -21.433 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.344 17.077 -20.939 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.356 15.917 -22.253 1.00 0.00 H new ATOM 1145 N SER A 73 -17.782 13.871 -19.235 1.00 0.00 N ATOM 1146 CA SER A 73 -19.031 13.155 -19.003 1.00 0.00 C ATOM 1147 C SER A 73 -19.832 13.809 -17.881 1.00 0.00 C ATOM 1148 O SER A 73 -19.376 14.764 -17.251 1.00 0.00 O ATOM 1149 CB SER A 73 -18.747 11.692 -18.656 1.00 0.00 C ATOM 1150 OG SER A 73 -19.009 11.432 -17.287 1.00 0.00 O ATOM 0 H SER A 73 -16.959 13.425 -18.831 1.00 0.00 H new ATOM 0 HA SER A 73 -19.621 13.197 -19.919 1.00 0.00 H new ATOM 0 HB2 SER A 73 -19.363 11.042 -19.277 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.707 11.457 -18.881 1.00 0.00 H new ATOM 0 HG SER A 73 -19.746 10.790 -17.211 1.00 0.00 H new ATOM 1156 N THR A 74 -21.031 13.288 -17.637 1.00 0.00 N ATOM 1157 CA THR A 74 -21.897 13.821 -16.593 1.00 0.00 C ATOM 1158 C THR A 74 -22.336 12.724 -15.630 1.00 0.00 C ATOM 1159 O THR A 74 -23.077 11.814 -16.005 1.00 0.00 O ATOM 1160 CB THR A 74 -23.147 14.494 -17.190 1.00 0.00 C ATOM 1161 OG1 THR A 74 -22.874 14.939 -18.523 1.00 0.00 O ATOM 1162 CG2 THR A 74 -23.586 15.674 -16.336 1.00 0.00 C ATOM 0 H THR A 74 -21.424 12.498 -18.148 1.00 0.00 H new ATOM 0 HA THR A 74 -21.316 14.566 -16.050 1.00 0.00 H new ATOM 0 HB THR A 74 -23.953 13.761 -17.210 1.00 0.00 H new ATOM 0 HG1 THR A 74 -23.674 15.364 -18.896 1.00 0.00 H new ATOM 0 HG21 THR A 74 -24.470 16.133 -16.777 1.00 0.00 H new ATOM 0 HG22 THR A 74 -23.821 15.327 -15.330 1.00 0.00 H new ATOM 0 HG23 THR A 74 -22.781 16.408 -16.288 1.00 0.00 H new ATOM 1170 N LEU A 75 -21.875 12.815 -14.387 1.00 0.00 N ATOM 1171 CA LEU A 75 -22.221 11.830 -13.368 1.00 0.00 C ATOM 1172 C LEU A 75 -23.208 12.411 -12.361 1.00 0.00 C ATOM 1173 O LEU A 75 -23.251 13.623 -12.147 1.00 0.00 O ATOM 1174 CB LEU A 75 -20.961 11.350 -12.646 1.00 0.00 C ATOM 1175 CG LEU A 75 -20.505 9.926 -12.967 1.00 0.00 C ATOM 1176 CD1 LEU A 75 -21.618 8.931 -12.679 1.00 0.00 C ATOM 1177 CD2 LEU A 75 -20.058 9.824 -14.419 1.00 0.00 C ATOM 0 H LEU A 75 -21.261 13.561 -14.061 1.00 0.00 H new ATOM 0 HA LEU A 75 -22.694 10.982 -13.864 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.146 12.034 -12.885 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.132 11.422 -11.572 1.00 0.00 H new ATOM 0 HG LEU A 75 -19.656 9.684 -12.328 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -21.275 7.923 -12.913 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.891 8.985 -11.625 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -22.487 9.170 -13.292 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -19.737 8.804 -14.630 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.888 10.086 -15.075 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -19.228 10.509 -14.593 1.00 0.00 H new ATOM 1189 N HIS A 76 -23.998 11.539 -11.743 1.00 0.00 N ATOM 1190 CA HIS A 76 -24.983 11.966 -10.755 1.00 0.00 C ATOM 1191 C HIS A 76 -24.881 11.123 -9.487 1.00 0.00 C ATOM 1192 O HIS A 76 -25.092 9.910 -9.518 1.00 0.00 O ATOM 1193 CB HIS A 76 -26.394 11.868 -11.335 1.00 0.00 C ATOM 1194 CG HIS A 76 -26.798 13.069 -12.134 1.00 0.00 C ATOM 1195 ND1 HIS A 76 -26.318 13.327 -13.400 1.00 0.00 N ATOM 1196 CD2 HIS A 76 -27.644 14.083 -11.839 1.00 0.00 C ATOM 1197 CE1 HIS A 76 -26.850 14.449 -13.850 1.00 0.00 C ATOM 1198 NE2 HIS A 76 -27.659 14.928 -12.922 1.00 0.00 N ATOM 0 H HIS A 76 -23.976 10.533 -11.909 1.00 0.00 H new ATOM 0 HA HIS A 76 -24.776 13.005 -10.497 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -26.457 10.983 -11.968 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -27.104 11.728 -10.520 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -28.203 14.205 -10.923 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -26.657 14.898 -14.813 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -28.206 15.786 -12.997 1.00 0.00 H new ATOM 1206 N LEU A 77 -24.557 11.773 -8.375 1.00 0.00 N ATOM 1207 CA LEU A 77 -24.426 11.083 -7.096 1.00 0.00 C ATOM 1208 C LEU A 77 -25.707 11.209 -6.277 1.00 0.00 C ATOM 1209 O LEU A 77 -26.116 12.311 -5.911 1.00 0.00 O ATOM 1210 CB LEU A 77 -23.245 11.650 -6.307 1.00 0.00 C ATOM 1211 CG LEU A 77 -23.206 13.171 -6.156 1.00 0.00 C ATOM 1212 CD1 LEU A 77 -22.749 13.557 -4.758 1.00 0.00 C ATOM 1213 CD2 LEU A 77 -22.293 13.787 -7.206 1.00 0.00 C ATOM 0 H LEU A 77 -24.380 12.777 -8.333 1.00 0.00 H new ATOM 0 HA LEU A 77 -24.247 10.027 -7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -23.253 11.206 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -22.323 11.329 -6.792 1.00 0.00 H new ATOM 0 HG LEU A 77 -24.214 13.558 -6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -22.727 14.643 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -23.441 13.147 -4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -21.750 13.158 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -22.277 14.870 -7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -21.284 13.393 -7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -22.664 13.539 -8.201 1.00 0.00 H new ATOM 1225 N VAL A 78 -26.334 10.073 -5.991 1.00 0.00 N ATOM 1226 CA VAL A 78 -27.566 10.055 -5.211 1.00 0.00 C ATOM 1227 C VAL A 78 -27.348 9.400 -3.852 1.00 0.00 C ATOM 1228 O VAL A 78 -26.774 8.314 -3.759 1.00 0.00 O ATOM 1229 CB VAL A 78 -28.690 9.308 -5.954 1.00 0.00 C ATOM 1230 CG1 VAL A 78 -29.259 10.171 -7.069 1.00 0.00 C ATOM 1231 CG2 VAL A 78 -28.177 7.985 -6.503 1.00 0.00 C ATOM 0 H VAL A 78 -26.009 9.153 -6.288 1.00 0.00 H new ATOM 0 HA VAL A 78 -27.863 11.094 -5.066 1.00 0.00 H new ATOM 0 HB VAL A 78 -29.491 9.096 -5.246 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -30.052 9.626 -7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -29.665 11.090 -6.647 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -28.469 10.416 -7.779 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -28.984 7.470 -7.025 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -27.357 8.172 -7.197 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -27.822 7.363 -5.681 1.00 0.00 H new ATOM 1241 N LEU A 79 -27.808 10.066 -2.800 1.00 0.00 N ATOM 1242 CA LEU A 79 -27.664 9.549 -1.443 1.00 0.00 C ATOM 1243 C LEU A 79 -28.957 8.894 -0.970 1.00 0.00 C ATOM 1244 O LEU A 79 -30.050 9.406 -1.215 1.00 0.00 O ATOM 1245 CB LEU A 79 -27.269 10.675 -0.486 1.00 0.00 C ATOM 1246 CG LEU A 79 -25.772 10.964 -0.372 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -25.067 9.845 0.379 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -25.158 11.152 -1.752 1.00 0.00 C ATOM 0 H LEU A 79 -28.284 10.966 -2.860 1.00 0.00 H new ATOM 0 HA LEU A 79 -26.878 8.794 -1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -27.772 11.588 -0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -27.648 10.431 0.506 1.00 0.00 H new ATOM 0 HG LEU A 79 -25.643 11.889 0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -24.003 10.069 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -25.487 9.758 1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -25.205 8.905 -0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -24.092 11.357 -1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -25.299 10.245 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -25.642 11.989 -2.255 1.00 0.00 H new