USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 664 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 17 THR OG1 : rot 90:sc= 1.22 USER MOD Single : A 20 LYS NZ :NH3+ 152:sc= -0.031 (180deg=-1.06) USER MOD Single : A 21 THR OG1 : rot 76:sc= 0.897 USER MOD Single : A 25 TYR OH : rot 173:sc= -0.447 USER MOD Single : A 27 CYS SG : rot 70:sc=0.000938 USER MOD Single : A 29 CYS SG : rot 66:sc= 0.0235 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0154) USER MOD Single : A 36 LYS NZ :NH3+ 155:sc= -0.0142 (180deg=-0.681) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 30:sc= -0.103 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -160:sc= -6.39! (180deg=-7.56!) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -13.8! C(o=-14!,f=-17!) USER MOD Single : A 66 LYS NZ :NH3+ -121:sc= 0.434! (180deg=-0.602!) USER MOD Single : A 67 HIS : no HD1:sc= -5.55! C(o=-5.5!,f=-12!) USER MOD Single : A 70 ASN : amide:sc= -0.425 K(o=-0.43,f=0.23) USER MOD Single : A 71 TYR OH : rot 17:sc= -0.174 USER MOD Single : A 75 THR OG1 : rot 135:sc= 0.189 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -2.51! K(o=-2.5!,f=-0.43) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 9.697 27.488 -4.866 1.00 0.00 N ATOM 133 CA VAL A 13 10.172 26.262 -4.236 1.00 0.00 C ATOM 134 C VAL A 13 9.315 25.896 -3.029 1.00 0.00 C ATOM 135 O VAL A 13 9.404 24.786 -2.506 1.00 0.00 O ATOM 136 CB VAL A 13 11.640 26.393 -3.790 1.00 0.00 C ATOM 137 CG1 VAL A 13 11.824 27.621 -2.912 1.00 0.00 C ATOM 138 CG2 VAL A 13 12.089 25.135 -3.060 1.00 0.00 C ATOM 0 HA VAL A 13 10.097 25.472 -4.983 1.00 0.00 H new ATOM 0 HB VAL A 13 12.261 26.513 -4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.868 27.697 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.544 28.514 -3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.193 27.534 -2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.129 25.245 -2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.464 24.982 -2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.996 24.276 -3.725 1.00 0.00 H new ATOM 148 N GLU A 14 8.486 26.840 -2.592 1.00 0.00 N ATOM 149 CA GLU A 14 7.614 26.616 -1.444 1.00 0.00 C ATOM 150 C GLU A 14 6.366 25.838 -1.853 1.00 0.00 C ATOM 151 O GLU A 14 6.089 24.763 -1.321 1.00 0.00 O ATOM 152 CB GLU A 14 7.212 27.951 -0.813 1.00 0.00 C ATOM 153 CG GLU A 14 6.540 27.806 0.541 1.00 0.00 C ATOM 154 CD GLU A 14 7.537 27.662 1.674 1.00 0.00 C ATOM 155 OE1 GLU A 14 7.990 26.525 1.924 1.00 0.00 O ATOM 156 OE2 GLU A 14 7.863 28.684 2.313 1.00 0.00 O ATOM 0 H GLU A 14 8.400 27.765 -3.014 1.00 0.00 H new ATOM 0 HA GLU A 14 8.165 26.027 -0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.100 28.574 -0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.537 28.475 -1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.910 28.676 0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.885 26.935 0.526 1.00 0.00 H new ATOM 163 N ILE A 15 5.617 26.391 -2.802 1.00 0.00 N ATOM 164 CA ILE A 15 4.399 25.750 -3.283 1.00 0.00 C ATOM 165 C ILE A 15 4.657 24.296 -3.664 1.00 0.00 C ATOM 166 O ILE A 15 3.859 23.413 -3.351 1.00 0.00 O ATOM 167 CB ILE A 15 3.814 26.492 -4.499 1.00 0.00 C ATOM 168 CG1 ILE A 15 2.301 26.281 -4.575 1.00 0.00 C ATOM 169 CG2 ILE A 15 4.485 26.020 -5.780 1.00 0.00 C ATOM 170 CD1 ILE A 15 1.612 27.190 -5.568 1.00 0.00 C ATOM 0 H ILE A 15 5.832 27.281 -3.252 1.00 0.00 H new ATOM 0 HA ILE A 15 3.679 25.787 -2.465 1.00 0.00 H new ATOM 0 HB ILE A 15 4.007 27.558 -4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.100 25.244 -4.844 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.870 26.443 -3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.061 26.553 -6.631 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.555 26.218 -5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.320 24.950 -5.904 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.542 26.984 -5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.782 28.230 -5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.015 27.012 -6.565 1.00 0.00 H new ATOM 182 N GLU A 16 5.776 24.057 -4.339 1.00 0.00 N ATOM 183 CA GLU A 16 6.139 22.709 -4.762 1.00 0.00 C ATOM 184 C GLU A 16 6.435 21.822 -3.556 1.00 0.00 C ATOM 185 O GLU A 16 6.011 20.667 -3.500 1.00 0.00 O ATOM 186 CB GLU A 16 7.356 22.752 -5.689 1.00 0.00 C ATOM 187 CG GLU A 16 7.241 23.784 -6.798 1.00 0.00 C ATOM 188 CD GLU A 16 8.003 23.386 -8.047 1.00 0.00 C ATOM 189 OE1 GLU A 16 8.173 22.170 -8.276 1.00 0.00 O ATOM 190 OE2 GLU A 16 8.428 24.290 -8.796 1.00 0.00 O ATOM 0 H GLU A 16 6.447 24.778 -4.605 1.00 0.00 H new ATOM 0 HA GLU A 16 5.294 22.285 -5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.246 22.965 -5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.498 21.767 -6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.190 23.927 -7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.616 24.742 -6.438 1.00 0.00 H new ATOM 197 N THR A 17 7.168 22.370 -2.591 1.00 0.00 N ATOM 198 CA THR A 17 7.523 21.629 -1.388 1.00 0.00 C ATOM 199 C THR A 17 6.281 21.255 -0.586 1.00 0.00 C ATOM 200 O THR A 17 6.240 20.206 0.059 1.00 0.00 O ATOM 201 CB THR A 17 8.475 22.441 -0.488 1.00 0.00 C ATOM 202 OG1 THR A 17 9.775 22.506 -1.084 1.00 0.00 O ATOM 203 CG2 THR A 17 8.576 21.817 0.895 1.00 0.00 C ATOM 0 H THR A 17 7.527 23.324 -2.620 1.00 0.00 H new ATOM 0 HA THR A 17 8.029 20.721 -1.715 1.00 0.00 H new ATOM 0 HB THR A 17 8.072 23.449 -0.385 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.832 23.298 -1.659 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.253 22.407 1.512 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.589 21.796 1.358 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.958 20.800 0.808 1.00 0.00 H new ATOM 211 N LEU A 18 5.273 22.117 -0.630 1.00 0.00 N ATOM 212 CA LEU A 18 4.027 21.876 0.092 1.00 0.00 C ATOM 213 C LEU A 18 3.349 20.604 -0.403 1.00 0.00 C ATOM 214 O LEU A 18 2.900 19.778 0.393 1.00 0.00 O ATOM 215 CB LEU A 18 3.083 23.069 -0.070 1.00 0.00 C ATOM 216 CG LEU A 18 3.348 24.265 0.846 1.00 0.00 C ATOM 217 CD1 LEU A 18 2.546 25.474 0.390 1.00 0.00 C ATOM 218 CD2 LEU A 18 3.015 23.915 2.289 1.00 0.00 C ATOM 0 H LEU A 18 5.292 22.990 -1.158 1.00 0.00 H new ATOM 0 HA LEU A 18 4.265 21.750 1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.135 23.410 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.063 22.725 0.101 1.00 0.00 H new ATOM 0 HG LEU A 18 4.407 24.515 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.747 26.315 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.833 25.738 -0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.483 25.237 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.209 24.777 2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.963 23.639 2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.634 23.078 2.612 1.00 0.00 H new ATOM 230 N ARG A 19 3.277 20.452 -1.722 1.00 0.00 N ATOM 231 CA ARG A 19 2.653 19.279 -2.323 1.00 0.00 C ATOM 232 C ARG A 19 3.358 18.001 -1.878 1.00 0.00 C ATOM 233 O ARG A 19 2.718 17.047 -1.437 1.00 0.00 O ATOM 234 CB ARG A 19 2.682 19.386 -3.849 1.00 0.00 C ATOM 235 CG ARG A 19 1.524 20.185 -4.425 1.00 0.00 C ATOM 236 CD ARG A 19 1.871 21.660 -4.545 1.00 0.00 C ATOM 237 NE ARG A 19 1.065 22.330 -5.562 1.00 0.00 N ATOM 238 CZ ARG A 19 1.161 22.076 -6.863 1.00 0.00 C ATOM 239 NH1 ARG A 19 2.025 21.171 -7.302 1.00 0.00 N ATOM 240 NH2 ARG A 19 0.393 22.728 -7.725 1.00 0.00 N ATOM 0 H ARG A 19 3.643 21.126 -2.394 1.00 0.00 H new ATOM 0 HA ARG A 19 1.617 19.237 -1.988 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.620 19.850 -4.155 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.668 18.383 -4.276 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.261 19.791 -5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.647 20.067 -3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.719 22.148 -3.582 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.927 21.765 -4.792 1.00 0.00 H new ATOM 0 HE ARG A 19 0.391 23.032 -5.257 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.617 20.668 -6.641 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.097 20.977 -8.301 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.272 23.425 -7.390 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.467 22.533 -8.723 1.00 0.00 H new ATOM 254 N LYS A 20 4.682 17.988 -2.000 1.00 0.00 N ATOM 255 CA LYS A 20 5.475 16.828 -1.611 1.00 0.00 C ATOM 256 C LYS A 20 5.173 16.420 -0.173 1.00 0.00 C ATOM 257 O LYS A 20 4.945 15.244 0.116 1.00 0.00 O ATOM 258 CB LYS A 20 6.967 17.130 -1.763 1.00 0.00 C ATOM 259 CG LYS A 20 7.520 16.788 -3.136 1.00 0.00 C ATOM 260 CD LYS A 20 7.334 17.935 -4.114 1.00 0.00 C ATOM 261 CE LYS A 20 8.530 18.876 -4.102 1.00 0.00 C ATOM 262 NZ LYS A 20 8.741 19.522 -5.427 1.00 0.00 N ATOM 0 H LYS A 20 5.228 18.768 -2.365 1.00 0.00 H new ATOM 0 HA LYS A 20 5.209 16.001 -2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.137 18.188 -1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.521 16.572 -1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.580 16.548 -3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.021 15.898 -3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.192 17.538 -5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.431 18.489 -3.859 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.380 19.644 -3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.426 18.321 -3.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.199 20.446 -5.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.348 18.916 -6.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.824 19.656 -5.898 1.00 0.00 H new ATOM 276 N THR A 21 5.171 17.398 0.728 1.00 0.00 N ATOM 277 CA THR A 21 4.896 17.141 2.135 1.00 0.00 C ATOM 278 C THR A 21 3.560 16.429 2.314 1.00 0.00 C ATOM 279 O THR A 21 3.470 15.423 3.018 1.00 0.00 O ATOM 280 CB THR A 21 4.882 18.447 2.953 1.00 0.00 C ATOM 281 OG1 THR A 21 6.070 19.202 2.690 1.00 0.00 O ATOM 282 CG2 THR A 21 4.782 18.152 4.442 1.00 0.00 C ATOM 0 H THR A 21 5.357 18.376 0.507 1.00 0.00 H new ATOM 0 HA THR A 21 5.698 16.500 2.501 1.00 0.00 H new ATOM 0 HB THR A 21 4.009 19.028 2.654 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.996 19.634 1.814 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.774 19.089 4.999 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.862 17.602 4.643 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.638 17.553 4.753 1.00 0.00 H new ATOM 290 N VAL A 22 2.522 16.958 1.672 1.00 0.00 N ATOM 291 CA VAL A 22 1.191 16.371 1.758 1.00 0.00 C ATOM 292 C VAL A 22 1.142 15.013 1.068 1.00 0.00 C ATOM 293 O VAL A 22 0.453 14.099 1.520 1.00 0.00 O ATOM 294 CB VAL A 22 0.130 17.293 1.129 1.00 0.00 C ATOM 295 CG1 VAL A 22 -1.255 16.674 1.250 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.166 18.668 1.780 1.00 0.00 C ATOM 0 H VAL A 22 2.578 17.792 1.087 1.00 0.00 H new ATOM 0 HA VAL A 22 0.970 16.244 2.818 1.00 0.00 H new ATOM 0 HB VAL A 22 0.358 17.411 0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.992 17.340 0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.271 15.714 0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.496 16.524 2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.590 19.307 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.037 18.571 2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.151 19.113 1.637 1.00 0.00 H new ATOM 306 N GLU A 23 1.879 14.888 -0.032 1.00 0.00 N ATOM 307 CA GLU A 23 1.920 13.640 -0.786 1.00 0.00 C ATOM 308 C GLU A 23 2.386 12.487 0.096 1.00 0.00 C ATOM 309 O GLU A 23 1.805 11.402 0.078 1.00 0.00 O ATOM 310 CB GLU A 23 2.845 13.780 -1.996 1.00 0.00 C ATOM 311 CG GLU A 23 2.147 14.300 -3.240 1.00 0.00 C ATOM 312 CD GLU A 23 2.972 14.105 -4.498 1.00 0.00 C ATOM 313 OE1 GLU A 23 2.997 12.970 -5.019 1.00 0.00 O ATOM 314 OE2 GLU A 23 3.592 15.085 -4.959 1.00 0.00 O ATOM 0 H GLU A 23 2.455 15.635 -0.420 1.00 0.00 H new ATOM 0 HA GLU A 23 0.910 13.422 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.663 14.453 -1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.288 12.809 -2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.190 13.790 -3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.930 15.361 -3.113 1.00 0.00 H new ATOM 321 N ASP A 24 3.441 12.728 0.867 1.00 0.00 N ATOM 322 CA ASP A 24 3.988 11.710 1.757 1.00 0.00 C ATOM 323 C ASP A 24 2.995 11.366 2.862 1.00 0.00 C ATOM 324 O ASP A 24 2.734 10.193 3.133 1.00 0.00 O ATOM 325 CB ASP A 24 5.304 12.191 2.369 1.00 0.00 C ATOM 326 CG ASP A 24 6.250 11.048 2.679 1.00 0.00 C ATOM 327 OD1 ASP A 24 6.291 10.081 1.890 1.00 0.00 O ATOM 328 OD2 ASP A 24 6.951 11.121 3.709 1.00 0.00 O ATOM 0 H ASP A 24 3.935 13.620 0.894 1.00 0.00 H new ATOM 0 HA ASP A 24 4.177 10.812 1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.789 12.884 1.682 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.095 12.744 3.285 1.00 0.00 H new ATOM 333 N TYR A 25 2.443 12.393 3.498 1.00 0.00 N ATOM 334 CA TYR A 25 1.481 12.200 4.576 1.00 0.00 C ATOM 335 C TYR A 25 0.452 11.137 4.203 1.00 0.00 C ATOM 336 O TYR A 25 0.318 10.120 4.884 1.00 0.00 O ATOM 337 CB TYR A 25 0.776 13.517 4.902 1.00 0.00 C ATOM 338 CG TYR A 25 0.289 13.606 6.331 1.00 0.00 C ATOM 339 CD1 TYR A 25 1.176 13.846 7.373 1.00 0.00 C ATOM 340 CD2 TYR A 25 -1.056 13.449 6.639 1.00 0.00 C ATOM 341 CE1 TYR A 25 0.737 13.929 8.680 1.00 0.00 C ATOM 342 CE2 TYR A 25 -1.505 13.531 7.943 1.00 0.00 C ATOM 343 CZ TYR A 25 -0.605 13.771 8.960 1.00 0.00 C ATOM 344 OH TYR A 25 -1.047 13.851 10.260 1.00 0.00 O ATOM 0 H TYR A 25 2.646 13.370 3.285 1.00 0.00 H new ATOM 0 HA TYR A 25 2.025 11.860 5.457 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.460 14.343 4.708 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.073 13.641 4.229 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.227 13.970 7.157 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.763 13.259 5.845 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.440 14.116 9.478 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.555 13.408 8.165 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.027 13.830 10.274 1.00 0.00 H new ATOM 354 N PHE A 26 -0.271 11.380 3.116 1.00 0.00 N ATOM 355 CA PHE A 26 -1.290 10.445 2.651 1.00 0.00 C ATOM 356 C PHE A 26 -0.754 9.016 2.645 1.00 0.00 C ATOM 357 O PHE A 26 -1.466 8.074 2.995 1.00 0.00 O ATOM 358 CB PHE A 26 -1.763 10.830 1.247 1.00 0.00 C ATOM 359 CG PHE A 26 -2.550 12.107 1.210 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.529 12.362 2.157 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.313 13.054 0.227 1.00 0.00 C ATOM 362 CE1 PHE A 26 -4.255 13.538 2.126 1.00 0.00 C ATOM 363 CE2 PHE A 26 -3.035 14.232 0.191 1.00 0.00 C ATOM 364 CZ PHE A 26 -4.008 14.473 1.140 1.00 0.00 C ATOM 0 H PHE A 26 -0.171 12.216 2.540 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.135 10.495 3.338 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.896 10.928 0.594 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.375 10.023 0.845 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.727 11.633 2.929 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.555 12.870 -0.520 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.014 13.725 2.871 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.838 14.963 -0.579 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.575 15.392 1.111 1.00 0.00 H new ATOM 374 N CYS A 27 0.503 8.863 2.246 1.00 0.00 N ATOM 375 CA CYS A 27 1.135 7.550 2.193 1.00 0.00 C ATOM 376 C CYS A 27 1.278 6.958 3.591 1.00 0.00 C ATOM 377 O CYS A 27 1.076 5.761 3.794 1.00 0.00 O ATOM 378 CB CYS A 27 2.508 7.648 1.525 1.00 0.00 C ATOM 379 SG CYS A 27 2.471 8.359 -0.137 1.00 0.00 S ATOM 0 H CYS A 27 1.105 9.633 1.954 1.00 0.00 H new ATOM 0 HA CYS A 27 0.498 6.892 1.603 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.163 8.252 2.153 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.947 6.652 1.473 1.00 0.00 H new ATOM 0 HG CYS A 27 2.192 9.627 -0.061 1.00 0.00 H new ATOM 385 N PHE A 28 1.629 7.805 4.554 1.00 0.00 N ATOM 386 CA PHE A 28 1.802 7.367 5.934 1.00 0.00 C ATOM 387 C PHE A 28 0.479 6.878 6.518 1.00 0.00 C ATOM 388 O PHE A 28 0.388 5.758 7.025 1.00 0.00 O ATOM 389 CB PHE A 28 2.359 8.507 6.787 1.00 0.00 C ATOM 390 CG PHE A 28 2.090 8.342 8.257 1.00 0.00 C ATOM 391 CD1 PHE A 28 2.695 7.324 8.976 1.00 0.00 C ATOM 392 CD2 PHE A 28 1.231 9.206 8.918 1.00 0.00 C ATOM 393 CE1 PHE A 28 2.450 7.170 10.327 1.00 0.00 C ATOM 394 CE2 PHE A 28 0.982 9.058 10.269 1.00 0.00 C ATOM 395 CZ PHE A 28 1.591 8.038 10.974 1.00 0.00 C ATOM 0 H PHE A 28 1.799 8.799 4.403 1.00 0.00 H new ATOM 0 HA PHE A 28 2.511 6.539 5.941 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.435 8.577 6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.925 9.448 6.450 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.366 6.643 8.474 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.751 10.004 8.371 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.929 6.373 10.876 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.312 9.739 10.773 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.396 7.919 12.030 1.00 0.00 H new ATOM 405 N CYS A 29 -0.542 7.723 6.445 1.00 0.00 N ATOM 406 CA CYS A 29 -1.859 7.379 6.967 1.00 0.00 C ATOM 407 C CYS A 29 -2.396 6.117 6.302 1.00 0.00 C ATOM 408 O CYS A 29 -2.941 5.235 6.967 1.00 0.00 O ATOM 409 CB CYS A 29 -2.835 8.538 6.752 1.00 0.00 C ATOM 410 SG CYS A 29 -2.231 10.133 7.352 1.00 0.00 S ATOM 0 H CYS A 29 -0.483 8.652 6.029 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.760 7.190 8.036 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.054 8.622 5.688 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.774 8.305 7.253 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.207 10.504 6.642 1.00 0.00 H new ATOM 416 N TYR A 30 -2.240 6.037 4.985 1.00 0.00 N ATOM 417 CA TYR A 30 -2.712 4.884 4.228 1.00 0.00 C ATOM 418 C TYR A 30 -1.982 3.615 4.656 1.00 0.00 C ATOM 419 O TYR A 30 -2.601 2.647 5.097 1.00 0.00 O ATOM 420 CB TYR A 30 -2.517 5.116 2.729 1.00 0.00 C ATOM 421 CG TYR A 30 -2.919 3.935 1.875 1.00 0.00 C ATOM 422 CD1 TYR A 30 -4.185 3.373 1.984 1.00 0.00 C ATOM 423 CD2 TYR A 30 -2.032 3.380 0.961 1.00 0.00 C ATOM 424 CE1 TYR A 30 -4.557 2.293 1.207 1.00 0.00 C ATOM 425 CE2 TYR A 30 -2.396 2.301 0.178 1.00 0.00 C ATOM 426 CZ TYR A 30 -3.659 1.761 0.305 1.00 0.00 C ATOM 427 OH TYR A 30 -4.024 0.685 -0.472 1.00 0.00 O ATOM 0 H TYR A 30 -1.790 6.757 4.420 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.775 4.758 4.434 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.098 5.987 2.426 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.469 5.350 2.540 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.891 3.788 2.689 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.042 3.799 0.861 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.545 1.868 1.305 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.695 1.883 -0.530 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.277 0.434 -1.055 1.00 0.00 H new ATOM 437 N GLY A 31 -0.659 3.628 4.525 1.00 0.00 N ATOM 438 CA GLY A 31 0.136 2.474 4.902 1.00 0.00 C ATOM 439 C GLY A 31 0.061 2.179 6.387 1.00 0.00 C ATOM 440 O GLY A 31 0.215 1.033 6.809 1.00 0.00 O ATOM 0 H GLY A 31 -0.123 4.418 4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.206 1.603 4.344 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.175 2.645 4.621 1.00 0.00 H new ATOM 444 N LYS A 32 -0.175 3.216 7.183 1.00 0.00 N ATOM 445 CA LYS A 32 -0.270 3.064 8.631 1.00 0.00 C ATOM 446 C LYS A 32 -1.532 2.298 9.015 1.00 0.00 C ATOM 447 O LYS A 32 -1.505 1.446 9.902 1.00 0.00 O ATOM 448 CB LYS A 32 -0.266 4.436 9.309 1.00 0.00 C ATOM 449 CG LYS A 32 -0.804 4.414 10.730 1.00 0.00 C ATOM 450 CD LYS A 32 -2.312 4.591 10.757 1.00 0.00 C ATOM 451 CE LYS A 32 -2.774 5.237 12.055 1.00 0.00 C ATOM 452 NZ LYS A 32 -2.464 4.387 13.238 1.00 0.00 N ATOM 0 H LYS A 32 -0.304 4.172 6.850 1.00 0.00 H new ATOM 0 HA LYS A 32 0.596 2.496 8.970 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.753 4.823 9.321 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.863 5.128 8.714 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.539 3.470 11.206 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.333 5.207 11.311 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.622 5.206 9.912 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.795 3.621 10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.292 6.208 12.169 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.848 5.418 12.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.869 4.820 14.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.874 3.441 13.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.433 4.306 13.346 1.00 0.00 H new ATOM 466 N ALA A 33 -2.635 2.608 8.343 1.00 0.00 N ATOM 467 CA ALA A 33 -3.905 1.947 8.612 1.00 0.00 C ATOM 468 C ALA A 33 -3.888 0.502 8.121 1.00 0.00 C ATOM 469 O ALA A 33 -4.520 -0.373 8.712 1.00 0.00 O ATOM 470 CB ALA A 33 -5.048 2.713 7.963 1.00 0.00 C ATOM 0 H ALA A 33 -2.675 3.314 7.607 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.057 1.935 9.691 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.990 2.207 8.173 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.082 3.725 8.365 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.891 2.756 6.885 1.00 0.00 H new ATOM 476 N LEU A 34 -3.160 0.260 7.036 1.00 0.00 N ATOM 477 CA LEU A 34 -3.060 -1.077 6.464 1.00 0.00 C ATOM 478 C LEU A 34 -2.457 -2.055 7.467 1.00 0.00 C ATOM 479 O LEU A 34 -2.710 -3.257 7.408 1.00 0.00 O ATOM 480 CB LEU A 34 -2.213 -1.048 5.192 1.00 0.00 C ATOM 481 CG LEU A 34 -2.968 -0.787 3.888 1.00 0.00 C ATOM 482 CD1 LEU A 34 -2.010 -0.331 2.798 1.00 0.00 C ATOM 483 CD2 LEU A 34 -3.722 -2.033 3.450 1.00 0.00 C ATOM 0 H LEU A 34 -2.630 0.973 6.535 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.066 -1.414 6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.449 -0.279 5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.694 -2.003 5.103 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.692 0.009 4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.565 -0.150 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.515 0.589 3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.262 -1.104 2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.253 -1.829 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.016 -2.849 3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.437 -2.316 4.222 1.00 0.00 H new ATOM 495 N GLY A 35 -1.658 -1.529 8.392 1.00 0.00 N ATOM 496 CA GLY A 35 -1.033 -2.368 9.397 1.00 0.00 C ATOM 497 C GLY A 35 0.357 -2.816 8.996 1.00 0.00 C ATOM 498 O GLY A 35 0.851 -3.839 9.470 1.00 0.00 O ATOM 0 H GLY A 35 -1.433 -0.537 8.462 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.978 -1.822 10.338 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.657 -3.244 9.573 1.00 0.00 H new ATOM 502 N LYS A 36 0.994 -2.048 8.117 1.00 0.00 N ATOM 503 CA LYS A 36 2.337 -2.370 7.650 1.00 0.00 C ATOM 504 C LYS A 36 3.387 -1.594 8.438 1.00 0.00 C ATOM 505 O LYS A 36 3.055 -0.780 9.299 1.00 0.00 O ATOM 506 CB LYS A 36 2.469 -2.056 6.158 1.00 0.00 C ATOM 507 CG LYS A 36 1.297 -2.549 5.327 1.00 0.00 C ATOM 508 CD LYS A 36 1.745 -3.014 3.951 1.00 0.00 C ATOM 509 CE LYS A 36 1.864 -1.848 2.980 1.00 0.00 C ATOM 510 NZ LYS A 36 2.621 -2.224 1.754 1.00 0.00 N ATOM 0 H LYS A 36 0.601 -1.198 7.714 1.00 0.00 H new ATOM 0 HA LYS A 36 2.504 -3.436 7.807 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.567 -0.978 6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.387 -2.507 5.780 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.802 -3.370 5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.563 -1.750 5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.707 -3.521 4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.033 -3.742 3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.868 -1.504 2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.363 -1.014 3.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.338 -1.605 0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.641 -2.117 1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.414 -3.213 1.508 1.00 0.00 H new ATOM 524 N SER A 37 4.656 -1.851 8.137 1.00 0.00 N ATOM 525 CA SER A 37 5.755 -1.179 8.819 1.00 0.00 C ATOM 526 C SER A 37 6.451 -0.193 7.887 1.00 0.00 C ATOM 527 O SER A 37 7.612 0.166 8.094 1.00 0.00 O ATOM 528 CB SER A 37 6.765 -2.205 9.339 1.00 0.00 C ATOM 529 OG SER A 37 7.445 -2.838 8.270 1.00 0.00 O ATOM 0 H SER A 37 4.948 -2.520 7.425 1.00 0.00 H new ATOM 0 HA SER A 37 5.342 -0.626 9.663 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.486 -1.712 9.991 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.250 -2.954 9.941 1.00 0.00 H new ATOM 0 HG SER A 37 8.085 -3.487 8.629 1.00 0.00 H new ATOM 535 N THR A 38 5.733 0.246 6.857 1.00 0.00 N ATOM 536 CA THR A 38 6.280 1.190 5.891 1.00 0.00 C ATOM 537 C THR A 38 5.175 2.019 5.246 1.00 0.00 C ATOM 538 O THR A 38 3.994 1.687 5.351 1.00 0.00 O ATOM 539 CB THR A 38 7.075 0.468 4.786 1.00 0.00 C ATOM 540 OG1 THR A 38 6.226 -0.457 4.097 1.00 0.00 O ATOM 541 CG2 THR A 38 8.268 -0.272 5.373 1.00 0.00 C ATOM 0 H THR A 38 4.771 -0.038 6.671 1.00 0.00 H new ATOM 0 HA THR A 38 6.952 1.849 6.440 1.00 0.00 H new ATOM 0 HB THR A 38 7.442 1.217 4.084 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.738 -0.911 3.395 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.814 -0.774 4.574 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.927 0.438 5.872 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.919 -1.011 6.094 1.00 0.00 H new ATOM 549 N VAL A 39 5.565 3.101 4.580 1.00 0.00 N ATOM 550 CA VAL A 39 4.607 3.978 3.917 1.00 0.00 C ATOM 551 C VAL A 39 4.259 3.460 2.526 1.00 0.00 C ATOM 552 O VAL A 39 5.124 2.971 1.800 1.00 0.00 O ATOM 553 CB VAL A 39 5.150 5.414 3.796 1.00 0.00 C ATOM 554 CG1 VAL A 39 4.956 6.170 5.103 1.00 0.00 C ATOM 555 CG2 VAL A 39 6.617 5.396 3.395 1.00 0.00 C ATOM 0 H VAL A 39 6.538 3.391 4.485 1.00 0.00 H new ATOM 0 HA VAL A 39 3.708 3.988 4.534 1.00 0.00 H new ATOM 0 HB VAL A 39 4.590 5.932 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.346 7.183 4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.894 6.213 5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.489 5.657 5.903 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.985 6.419 3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.194 4.862 4.150 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.725 4.894 2.433 1.00 0.00 H new ATOM 565 N VAL A 40 2.986 3.571 2.160 1.00 0.00 N ATOM 566 CA VAL A 40 2.523 3.114 0.855 1.00 0.00 C ATOM 567 C VAL A 40 1.970 4.272 0.033 1.00 0.00 C ATOM 568 O VAL A 40 1.244 5.131 0.535 1.00 0.00 O ATOM 569 CB VAL A 40 1.436 2.031 0.992 1.00 0.00 C ATOM 570 CG1 VAL A 40 1.039 1.498 -0.376 1.00 0.00 C ATOM 571 CG2 VAL A 40 1.919 0.905 1.893 1.00 0.00 C ATOM 0 H VAL A 40 2.257 3.973 2.749 1.00 0.00 H new ATOM 0 HA VAL A 40 3.386 2.688 0.344 1.00 0.00 H new ATOM 0 HB VAL A 40 0.554 2.480 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.270 0.734 -0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.651 2.314 -0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.911 1.064 -0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.139 0.148 1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.815 0.456 1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.149 1.303 2.881 1.00 0.00 H new ATOM 581 N PRO A 41 2.319 4.299 -1.262 1.00 0.00 N ATOM 582 CA PRO A 41 1.867 5.347 -2.182 1.00 0.00 C ATOM 583 C PRO A 41 0.376 5.248 -2.485 1.00 0.00 C ATOM 584 O PRO A 41 -0.080 4.288 -3.106 1.00 0.00 O ATOM 585 CB PRO A 41 2.688 5.086 -3.447 1.00 0.00 C ATOM 586 CG PRO A 41 3.027 3.637 -3.386 1.00 0.00 C ATOM 587 CD PRO A 41 3.181 3.309 -1.927 1.00 0.00 C ATOM 0 HA PRO A 41 2.007 6.344 -1.765 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.117 5.322 -4.345 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.587 5.702 -3.470 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.242 3.033 -3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.947 3.428 -3.932 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.864 2.289 -1.709 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.218 3.397 -1.603 1.00 0.00 H new ATOM 595 N VAL A 42 -0.381 6.249 -2.044 1.00 0.00 N ATOM 596 CA VAL A 42 -1.821 6.276 -2.269 1.00 0.00 C ATOM 597 C VAL A 42 -2.142 6.551 -3.734 1.00 0.00 C ATOM 598 O VAL A 42 -1.879 7.632 -4.261 1.00 0.00 O ATOM 599 CB VAL A 42 -2.506 7.343 -1.395 1.00 0.00 C ATOM 600 CG1 VAL A 42 -4.004 7.371 -1.662 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.223 7.087 0.077 1.00 0.00 C ATOM 0 H VAL A 42 -0.020 7.052 -1.529 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.203 5.293 -1.994 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.097 8.319 -1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.471 8.131 -1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.182 7.606 -2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.433 6.396 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.715 7.850 0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.603 6.104 0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.148 7.123 0.252 1.00 0.00 H new ATOM 611 N PRO A 43 -2.726 5.550 -4.410 1.00 0.00 N ATOM 612 CA PRO A 43 -3.098 5.660 -5.823 1.00 0.00 C ATOM 613 C PRO A 43 -4.263 6.619 -6.043 1.00 0.00 C ATOM 614 O PRO A 43 -5.410 6.194 -6.188 1.00 0.00 O ATOM 615 CB PRO A 43 -3.502 4.232 -6.196 1.00 0.00 C ATOM 616 CG PRO A 43 -3.928 3.611 -4.911 1.00 0.00 C ATOM 617 CD PRO A 43 -3.068 4.233 -3.846 1.00 0.00 C ATOM 0 HA PRO A 43 -2.284 6.059 -6.429 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.312 4.227 -6.926 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.669 3.688 -6.641 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.984 3.798 -4.718 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.796 2.529 -4.937 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.603 4.327 -2.901 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.177 3.636 -3.649 1.00 0.00 H new ATOM 625 N TYR A 44 -3.962 7.912 -6.069 1.00 0.00 N ATOM 626 CA TYR A 44 -4.986 8.931 -6.269 1.00 0.00 C ATOM 627 C TYR A 44 -5.820 8.628 -7.510 1.00 0.00 C ATOM 628 O TYR A 44 -7.047 8.717 -7.481 1.00 0.00 O ATOM 629 CB TYR A 44 -4.341 10.312 -6.399 1.00 0.00 C ATOM 630 CG TYR A 44 -3.382 10.641 -5.278 1.00 0.00 C ATOM 631 CD1 TYR A 44 -2.035 10.305 -5.370 1.00 0.00 C ATOM 632 CD2 TYR A 44 -3.819 11.284 -4.128 1.00 0.00 C ATOM 633 CE1 TYR A 44 -1.154 10.602 -4.348 1.00 0.00 C ATOM 634 CE2 TYR A 44 -2.945 11.587 -3.102 1.00 0.00 C ATOM 635 CZ TYR A 44 -1.613 11.243 -3.217 1.00 0.00 C ATOM 636 OH TYR A 44 -0.739 11.542 -2.196 1.00 0.00 O ATOM 0 H TYR A 44 -3.018 8.280 -5.954 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.644 8.925 -5.400 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.809 10.367 -7.349 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.125 11.068 -6.429 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.672 9.804 -6.255 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.861 11.552 -4.034 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.111 10.334 -4.435 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.302 12.090 -2.215 1.00 0.00 H new ATOM 0 HH TYR A 44 0.156 11.692 -2.565 1.00 0.00 H new ATOM 646 N GLU A 45 -5.145 8.269 -8.597 1.00 0.00 N ATOM 647 CA GLU A 45 -5.823 7.953 -9.847 1.00 0.00 C ATOM 648 C GLU A 45 -6.964 6.966 -9.613 1.00 0.00 C ATOM 649 O GLU A 45 -8.074 7.152 -10.113 1.00 0.00 O ATOM 650 CB GLU A 45 -4.832 7.372 -10.859 1.00 0.00 C ATOM 651 CG GLU A 45 -5.499 6.717 -12.057 1.00 0.00 C ATOM 652 CD GLU A 45 -4.529 5.900 -12.889 1.00 0.00 C ATOM 653 OE1 GLU A 45 -4.123 4.813 -12.429 1.00 0.00 O ATOM 654 OE2 GLU A 45 -4.179 6.349 -14.000 1.00 0.00 O ATOM 0 H GLU A 45 -4.129 8.190 -8.637 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.240 8.877 -10.247 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.175 8.168 -11.210 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.202 6.637 -10.357 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.307 6.073 -11.711 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.950 7.487 -12.683 1.00 0.00 H new ATOM 661 N LYS A 46 -6.682 5.916 -8.851 1.00 0.00 N ATOM 662 CA LYS A 46 -7.682 4.898 -8.549 1.00 0.00 C ATOM 663 C LYS A 46 -8.676 5.405 -7.508 1.00 0.00 C ATOM 664 O LYS A 46 -9.887 5.357 -7.719 1.00 0.00 O ATOM 665 CB LYS A 46 -7.006 3.622 -8.045 1.00 0.00 C ATOM 666 CG LYS A 46 -6.142 2.937 -9.090 1.00 0.00 C ATOM 667 CD LYS A 46 -5.590 1.617 -8.579 1.00 0.00 C ATOM 668 CE LYS A 46 -4.357 1.825 -7.714 1.00 0.00 C ATOM 669 NZ LYS A 46 -3.521 0.596 -7.634 1.00 0.00 N ATOM 0 H LYS A 46 -5.768 5.747 -8.430 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.225 4.675 -9.467 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.390 3.865 -7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.772 2.925 -7.706 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.729 2.762 -9.991 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.318 3.593 -9.369 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.357 1.100 -8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.339 0.975 -9.424 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.762 2.643 -8.121 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.663 2.122 -6.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.691 0.779 -7.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.080 -0.178 -7.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.207 0.327 -8.588 1.00 0.00 H new ATOM 683 N MET A 47 -8.155 5.891 -6.386 1.00 0.00 N ATOM 684 CA MET A 47 -8.997 6.409 -5.314 1.00 0.00 C ATOM 685 C MET A 47 -9.989 7.437 -5.851 1.00 0.00 C ATOM 686 O MET A 47 -11.021 7.701 -5.232 1.00 0.00 O ATOM 687 CB MET A 47 -8.136 7.039 -4.219 1.00 0.00 C ATOM 688 CG MET A 47 -7.708 6.056 -3.141 1.00 0.00 C ATOM 689 SD MET A 47 -6.963 6.868 -1.714 1.00 0.00 S ATOM 690 CE MET A 47 -8.411 7.577 -0.934 1.00 0.00 C ATOM 0 H MET A 47 -7.154 5.937 -6.196 1.00 0.00 H new ATOM 0 HA MET A 47 -9.557 5.575 -4.891 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.247 7.476 -4.674 1.00 0.00 H new ATOM 0 HB3 MET A 47 -8.691 7.855 -3.756 1.00 0.00 H new ATOM 0 HG2 MET A 47 -8.575 5.481 -2.815 1.00 0.00 H new ATOM 0 HG3 MET A 47 -6.996 5.347 -3.563 1.00 0.00 H new ATOM 0 HE1 MET A 47 -8.107 8.384 -0.267 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.080 7.971 -1.699 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.929 6.808 -0.361 1.00 0.00 H new ATOM 700 N LEU A 48 -9.671 8.013 -7.005 1.00 0.00 N ATOM 701 CA LEU A 48 -10.534 9.012 -7.624 1.00 0.00 C ATOM 702 C LEU A 48 -11.738 8.354 -8.291 1.00 0.00 C ATOM 703 O LEU A 48 -12.829 8.922 -8.324 1.00 0.00 O ATOM 704 CB LEU A 48 -9.748 9.826 -8.654 1.00 0.00 C ATOM 705 CG LEU A 48 -8.893 10.965 -8.099 1.00 0.00 C ATOM 706 CD1 LEU A 48 -7.981 11.524 -9.180 1.00 0.00 C ATOM 707 CD2 LEU A 48 -9.776 12.063 -7.524 1.00 0.00 C ATOM 0 H LEU A 48 -8.822 7.805 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.895 9.679 -6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.098 9.146 -9.205 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.454 10.245 -9.372 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.271 10.569 -7.297 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.380 12.334 -8.766 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.324 10.735 -9.546 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.584 11.905 -10.004 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.151 12.866 -7.133 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.424 12.456 -8.307 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.387 11.654 -6.719 1.00 0.00 H new ATOM 719 N ARG A 49 -11.531 7.152 -8.818 1.00 0.00 N ATOM 720 CA ARG A 49 -12.600 6.415 -9.483 1.00 0.00 C ATOM 721 C ARG A 49 -13.547 5.792 -8.463 1.00 0.00 C ATOM 722 O ARG A 49 -14.751 5.697 -8.695 1.00 0.00 O ATOM 723 CB ARG A 49 -12.014 5.326 -10.384 1.00 0.00 C ATOM 724 CG ARG A 49 -10.771 5.765 -11.141 1.00 0.00 C ATOM 725 CD ARG A 49 -11.123 6.343 -12.502 1.00 0.00 C ATOM 726 NE ARG A 49 -11.469 7.760 -12.422 1.00 0.00 N ATOM 727 CZ ARG A 49 -11.492 8.572 -13.473 1.00 0.00 C ATOM 728 NH1 ARG A 49 -11.192 8.109 -14.679 1.00 0.00 N ATOM 729 NH2 ARG A 49 -11.816 9.849 -13.320 1.00 0.00 N ATOM 0 H ARG A 49 -10.634 6.667 -8.798 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.165 7.118 -10.095 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.770 4.455 -9.775 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.773 5.012 -11.100 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.232 6.510 -10.556 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.102 4.914 -11.268 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.279 6.214 -13.180 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.960 5.789 -12.926 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.706 8.147 -11.509 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.943 7.127 -14.801 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.210 8.734 -15.485 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.048 10.209 -12.394 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.833 10.471 -14.128 1.00 0.00 H new ATOM 743 N ASP A 50 -12.993 5.368 -7.331 1.00 0.00 N ATOM 744 CA ASP A 50 -13.787 4.753 -6.275 1.00 0.00 C ATOM 745 C ASP A 50 -13.371 5.280 -4.904 1.00 0.00 C ATOM 746 O ASP A 50 -12.281 4.977 -4.419 1.00 0.00 O ATOM 747 CB ASP A 50 -13.640 3.231 -6.315 1.00 0.00 C ATOM 748 CG ASP A 50 -12.469 2.740 -5.487 1.00 0.00 C ATOM 749 OD1 ASP A 50 -11.329 3.174 -5.756 1.00 0.00 O ATOM 750 OD2 ASP A 50 -12.693 1.923 -4.570 1.00 0.00 O ATOM 0 H ASP A 50 -11.997 5.440 -7.122 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.832 5.014 -6.444 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.558 2.771 -5.949 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.511 2.908 -7.348 1.00 0.00 H new ATOM 755 N GLN A 51 -14.244 6.071 -4.290 1.00 0.00 N ATOM 756 CA GLN A 51 -13.965 6.641 -2.978 1.00 0.00 C ATOM 757 C GLN A 51 -14.616 5.814 -1.874 1.00 0.00 C ATOM 758 O GLN A 51 -15.165 6.360 -0.917 1.00 0.00 O ATOM 759 CB GLN A 51 -14.463 8.086 -2.909 1.00 0.00 C ATOM 760 CG GLN A 51 -13.945 8.962 -4.038 1.00 0.00 C ATOM 761 CD GLN A 51 -14.363 10.412 -3.891 1.00 0.00 C ATOM 762 OE1 GLN A 51 -15.291 10.730 -3.147 1.00 0.00 O ATOM 763 NE2 GLN A 51 -13.677 11.302 -4.600 1.00 0.00 N ATOM 0 H GLN A 51 -15.150 6.332 -4.680 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.885 6.628 -2.828 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.553 8.087 -2.930 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -14.162 8.520 -1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.857 8.903 -4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.312 8.577 -4.989 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.915 10.995 -5.204 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.912 12.293 -4.540 1.00 0.00 H new ATOM 772 N SER A 52 -14.552 4.494 -2.016 1.00 0.00 N ATOM 773 CA SER A 52 -15.139 3.591 -1.034 1.00 0.00 C ATOM 774 C SER A 52 -14.067 2.720 -0.387 1.00 0.00 C ATOM 775 O SER A 52 -14.080 2.494 0.823 1.00 0.00 O ATOM 776 CB SER A 52 -16.201 2.708 -1.691 1.00 0.00 C ATOM 777 OG SER A 52 -15.702 2.103 -2.873 1.00 0.00 O ATOM 0 H SER A 52 -14.100 4.027 -2.802 1.00 0.00 H new ATOM 0 HA SER A 52 -15.609 4.195 -0.258 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.521 1.936 -0.991 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.080 3.307 -1.929 1.00 0.00 H new ATOM 0 HG SER A 52 -16.399 1.542 -3.273 1.00 0.00 H new ATOM 783 N ALA A 53 -13.139 2.231 -1.203 1.00 0.00 N ATOM 784 CA ALA A 53 -12.057 1.387 -0.712 1.00 0.00 C ATOM 785 C ALA A 53 -11.384 2.009 0.506 1.00 0.00 C ATOM 786 O ALA A 53 -11.097 1.323 1.487 1.00 0.00 O ATOM 787 CB ALA A 53 -11.037 1.142 -1.814 1.00 0.00 C ATOM 0 H ALA A 53 -13.115 2.405 -2.208 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.485 0.431 -0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.235 0.510 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.522 0.646 -2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.623 2.094 -2.145 1.00 0.00 H new ATOM 793 N VAL A 54 -11.133 3.312 0.436 1.00 0.00 N ATOM 794 CA VAL A 54 -10.494 4.028 1.534 1.00 0.00 C ATOM 795 C VAL A 54 -11.017 5.456 1.639 1.00 0.00 C ATOM 796 O VAL A 54 -10.976 6.216 0.671 1.00 0.00 O ATOM 797 CB VAL A 54 -8.963 4.064 1.364 1.00 0.00 C ATOM 798 CG1 VAL A 54 -8.294 4.524 2.650 1.00 0.00 C ATOM 799 CG2 VAL A 54 -8.442 2.700 0.939 1.00 0.00 C ATOM 0 H VAL A 54 -11.362 3.894 -0.370 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.738 3.488 2.449 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.718 4.780 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.213 4.543 2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.645 5.524 2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.544 3.835 3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.359 2.744 0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.696 1.961 1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.897 2.416 -0.010 1.00 0.00 H new ATOM 809 N VAL A 55 -11.511 5.815 2.820 1.00 0.00 N ATOM 810 CA VAL A 55 -12.041 7.153 3.052 1.00 0.00 C ATOM 811 C VAL A 55 -11.004 8.047 3.723 1.00 0.00 C ATOM 812 O VAL A 55 -10.160 7.574 4.485 1.00 0.00 O ATOM 813 CB VAL A 55 -13.309 7.110 3.925 1.00 0.00 C ATOM 814 CG1 VAL A 55 -13.915 8.499 4.055 1.00 0.00 C ATOM 815 CG2 VAL A 55 -14.319 6.130 3.349 1.00 0.00 C ATOM 0 H VAL A 55 -11.555 5.198 3.631 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.295 7.567 2.076 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.032 6.766 4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.810 8.449 4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.191 9.170 4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.179 8.875 3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.209 6.112 3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.594 6.441 2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.880 5.133 3.314 1.00 0.00 H new ATOM 825 N VAL A 56 -11.073 9.343 3.436 1.00 0.00 N ATOM 826 CA VAL A 56 -10.141 10.304 4.013 1.00 0.00 C ATOM 827 C VAL A 56 -10.874 11.343 4.855 1.00 0.00 C ATOM 828 O VAL A 56 -11.683 12.114 4.339 1.00 0.00 O ATOM 829 CB VAL A 56 -9.329 11.024 2.921 1.00 0.00 C ATOM 830 CG1 VAL A 56 -8.425 12.081 3.537 1.00 0.00 C ATOM 831 CG2 VAL A 56 -8.518 10.023 2.112 1.00 0.00 C ATOM 0 H VAL A 56 -11.765 9.751 2.807 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.459 9.740 4.650 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.024 11.523 2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.859 12.579 2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.032 12.815 4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.735 11.608 4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.950 10.550 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.831 9.493 2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.191 9.308 1.639 1.00 0.00 H new ATOM 841 N GLN A 57 -10.584 11.358 6.151 1.00 0.00 N ATOM 842 CA GLN A 57 -11.216 12.302 7.064 1.00 0.00 C ATOM 843 C GLN A 57 -10.286 13.472 7.366 1.00 0.00 C ATOM 844 O GLN A 57 -9.169 13.538 6.857 1.00 0.00 O ATOM 845 CB GLN A 57 -11.611 11.600 8.365 1.00 0.00 C ATOM 846 CG GLN A 57 -12.421 10.331 8.151 1.00 0.00 C ATOM 847 CD GLN A 57 -11.609 9.223 7.511 1.00 0.00 C ATOM 848 OE1 GLN A 57 -11.825 8.867 6.352 1.00 0.00 O ATOM 849 NE2 GLN A 57 -10.666 8.668 8.266 1.00 0.00 N ATOM 0 H GLN A 57 -9.915 10.727 6.593 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.114 12.690 6.582 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.708 11.355 8.924 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.189 12.290 8.980 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.808 9.986 9.109 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -13.282 10.556 7.522 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.521 8.994 9.222 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.088 7.917 7.890 1.00 0.00 H new ATOM 858 N GLY A 58 -10.757 14.396 8.199 1.00 0.00 N ATOM 859 CA GLY A 58 -9.955 15.553 8.555 1.00 0.00 C ATOM 860 C GLY A 58 -9.891 16.578 7.440 1.00 0.00 C ATOM 861 O GLY A 58 -9.186 17.582 7.550 1.00 0.00 O ATOM 0 H GLY A 58 -11.679 14.364 8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.370 16.018 9.449 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.945 15.228 8.805 1.00 0.00 H new ATOM 865 N LEU A 59 -10.627 16.326 6.364 1.00 0.00 N ATOM 866 CA LEU A 59 -10.650 17.234 5.222 1.00 0.00 C ATOM 867 C LEU A 59 -11.540 18.440 5.505 1.00 0.00 C ATOM 868 O LEU A 59 -12.473 18.381 6.306 1.00 0.00 O ATOM 869 CB LEU A 59 -11.143 16.503 3.973 1.00 0.00 C ATOM 870 CG LEU A 59 -10.111 15.635 3.252 1.00 0.00 C ATOM 871 CD1 LEU A 59 -10.592 15.287 1.852 1.00 0.00 C ATOM 872 CD2 LEU A 59 -8.766 16.343 3.195 1.00 0.00 C ATOM 0 H LEU A 59 -11.216 15.500 6.258 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.634 17.588 5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.986 15.872 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.521 17.244 3.268 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.988 14.708 3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.845 14.669 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.532 14.739 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.744 16.203 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.044 15.711 2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.873 17.285 2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.416 16.541 4.208 1.00 0.00 H new ATOM 884 N PRO A 60 -11.249 19.562 4.830 1.00 0.00 N ATOM 885 CA PRO A 60 -12.013 20.803 4.989 1.00 0.00 C ATOM 886 C PRO A 60 -13.418 20.698 4.404 1.00 0.00 C ATOM 887 O PRO A 60 -13.855 19.619 4.009 1.00 0.00 O ATOM 888 CB PRO A 60 -11.186 21.831 4.214 1.00 0.00 C ATOM 889 CG PRO A 60 -10.434 21.032 3.207 1.00 0.00 C ATOM 890 CD PRO A 60 -10.151 19.706 3.858 1.00 0.00 C ATOM 0 HA PRO A 60 -12.161 21.059 6.038 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.825 22.572 3.734 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.509 22.373 4.874 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.018 20.903 2.296 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.508 21.533 2.923 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.149 18.894 3.131 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.177 19.698 4.348 1.00 0.00 H new ATOM 898 N GLU A 61 -14.117 21.828 4.349 1.00 0.00 N ATOM 899 CA GLU A 61 -15.472 21.861 3.811 1.00 0.00 C ATOM 900 C GLU A 61 -15.452 22.066 2.300 1.00 0.00 C ATOM 901 O GLU A 61 -14.461 22.533 1.738 1.00 0.00 O ATOM 902 CB GLU A 61 -16.281 22.975 4.477 1.00 0.00 C ATOM 903 CG GLU A 61 -17.731 23.029 4.025 1.00 0.00 C ATOM 904 CD GLU A 61 -18.491 21.758 4.349 1.00 0.00 C ATOM 905 OE1 GLU A 61 -18.241 21.177 5.427 1.00 0.00 O ATOM 906 OE2 GLU A 61 -19.335 21.343 3.527 1.00 0.00 O ATOM 0 H GLU A 61 -13.768 22.731 4.670 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.944 20.902 4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -16.251 22.838 5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.807 23.933 4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -18.225 23.875 4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.766 23.205 2.950 1.00 0.00 H new ATOM 913 N GLY A 62 -16.555 21.713 1.646 1.00 0.00 N ATOM 914 CA GLY A 62 -16.644 21.864 0.205 1.00 0.00 C ATOM 915 C GLY A 62 -15.422 21.323 -0.511 1.00 0.00 C ATOM 916 O GLY A 62 -15.061 21.801 -1.587 1.00 0.00 O ATOM 0 H GLY A 62 -17.388 21.325 2.088 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -17.532 21.347 -0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.767 22.919 -0.040 1.00 0.00 H new ATOM 920 N VAL A 63 -14.782 20.322 0.086 1.00 0.00 N ATOM 921 CA VAL A 63 -13.594 19.715 -0.501 1.00 0.00 C ATOM 922 C VAL A 63 -13.818 18.234 -0.787 1.00 0.00 C ATOM 923 O VAL A 63 -14.794 17.643 -0.328 1.00 0.00 O ATOM 924 CB VAL A 63 -12.370 19.869 0.421 1.00 0.00 C ATOM 925 CG1 VAL A 63 -12.414 18.842 1.542 1.00 0.00 C ATOM 926 CG2 VAL A 63 -11.082 19.745 -0.378 1.00 0.00 C ATOM 0 H VAL A 63 -15.067 19.914 0.977 1.00 0.00 H new ATOM 0 HA VAL A 63 -13.402 20.238 -1.438 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.397 20.862 0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.541 18.966 2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.320 18.985 2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.412 17.839 1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.228 19.856 0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.043 18.766 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.051 20.523 -1.141 1.00 0.00 H new ATOM 936 N ALA A 64 -12.905 17.640 -1.549 1.00 0.00 N ATOM 937 CA ALA A 64 -13.001 16.227 -1.895 1.00 0.00 C ATOM 938 C ALA A 64 -11.619 15.620 -2.108 1.00 0.00 C ATOM 939 O ALA A 64 -10.818 16.131 -2.891 1.00 0.00 O ATOM 940 CB ALA A 64 -13.858 16.045 -3.139 1.00 0.00 C ATOM 0 H ALA A 64 -12.091 18.115 -1.938 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.474 15.705 -1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.921 14.985 -3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.859 16.434 -2.951 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -13.409 16.585 -3.972 1.00 0.00 H new ATOM 946 N PHE A 65 -11.344 14.524 -1.407 1.00 0.00 N ATOM 947 CA PHE A 65 -10.057 13.848 -1.518 1.00 0.00 C ATOM 948 C PHE A 65 -9.532 13.911 -2.950 1.00 0.00 C ATOM 949 O PHE A 65 -10.251 13.604 -3.902 1.00 0.00 O ATOM 950 CB PHE A 65 -10.184 12.390 -1.073 1.00 0.00 C ATOM 951 CG PHE A 65 -8.881 11.642 -1.094 1.00 0.00 C ATOM 952 CD1 PHE A 65 -7.893 11.919 -0.163 1.00 0.00 C ATOM 953 CD2 PHE A 65 -8.645 10.660 -2.044 1.00 0.00 C ATOM 954 CE1 PHE A 65 -6.693 11.232 -0.180 1.00 0.00 C ATOM 955 CE2 PHE A 65 -7.447 9.970 -2.066 1.00 0.00 C ATOM 956 CZ PHE A 65 -6.471 10.256 -1.132 1.00 0.00 C ATOM 0 H PHE A 65 -11.996 14.086 -0.756 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.348 14.359 -0.867 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.595 12.361 -0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -10.897 11.881 -1.722 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.062 12.680 0.584 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.406 10.431 -2.775 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.930 11.458 0.550 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.275 9.209 -2.812 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.535 9.717 -1.146 1.00 0.00 H new ATOM 966 N LYS A 66 -8.273 14.310 -3.095 1.00 0.00 N ATOM 967 CA LYS A 66 -7.649 14.413 -4.408 1.00 0.00 C ATOM 968 C LYS A 66 -6.169 14.759 -4.283 1.00 0.00 C ATOM 969 O LYS A 66 -5.679 15.044 -3.189 1.00 0.00 O ATOM 970 CB LYS A 66 -8.362 15.474 -5.253 1.00 0.00 C ATOM 971 CG LYS A 66 -8.319 16.864 -4.644 1.00 0.00 C ATOM 972 CD LYS A 66 -8.872 17.908 -5.600 1.00 0.00 C ATOM 973 CE LYS A 66 -10.368 18.104 -5.406 1.00 0.00 C ATOM 974 NZ LYS A 66 -10.663 19.088 -4.328 1.00 0.00 N ATOM 0 H LYS A 66 -7.664 14.568 -2.318 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.737 13.445 -4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.906 15.505 -6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.402 15.178 -5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.895 16.875 -3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.291 17.116 -4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.356 18.856 -5.444 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.674 17.603 -6.628 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.814 18.445 -6.341 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.831 17.148 -5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.235 18.632 -3.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.771 19.429 -3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.189 19.892 -4.726 1.00 0.00 H new ATOM 988 N HIS A 67 -5.462 14.733 -5.408 1.00 0.00 N ATOM 989 CA HIS A 67 -4.037 15.047 -5.423 1.00 0.00 C ATOM 990 C HIS A 67 -3.753 16.322 -4.636 1.00 0.00 C ATOM 991 O HIS A 67 -4.512 17.290 -4.682 1.00 0.00 O ATOM 992 CB HIS A 67 -3.543 15.199 -6.861 1.00 0.00 C ATOM 993 CG HIS A 67 -2.115 14.787 -7.050 1.00 0.00 C ATOM 994 ND1 HIS A 67 -1.070 15.685 -7.081 1.00 0.00 N ATOM 995 CD2 HIS A 67 -1.562 13.563 -7.217 1.00 0.00 C ATOM 996 CE1 HIS A 67 0.065 15.033 -7.261 1.00 0.00 C ATOM 997 NE2 HIS A 67 -0.207 13.743 -7.346 1.00 0.00 N ATOM 0 H HIS A 67 -5.852 14.498 -6.321 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.503 14.223 -4.949 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.175 14.602 -7.519 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.656 16.239 -7.168 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.088 12.620 -7.244 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.047 15.478 -7.327 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.479 13.001 -7.485 1.00 0.00 H new ATOM 1005 N PRO A 68 -2.635 16.325 -3.895 1.00 0.00 N ATOM 1006 CA PRO A 68 -2.225 17.475 -3.084 1.00 0.00 C ATOM 1007 C PRO A 68 -1.779 18.658 -3.939 1.00 0.00 C ATOM 1008 O PRO A 68 -1.531 19.748 -3.424 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.049 16.933 -2.268 1.00 0.00 C ATOM 1010 CG PRO A 68 -0.505 15.814 -3.086 1.00 0.00 C ATOM 1011 CD PRO A 68 -1.684 15.205 -3.794 1.00 0.00 C ATOM 0 HA PRO A 68 -3.044 17.857 -2.475 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.296 17.703 -2.099 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.374 16.585 -1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.234 16.177 -3.800 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.005 15.078 -2.456 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.409 14.821 -4.776 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.104 14.371 -3.232 1.00 0.00 H new ATOM 1019 N GLU A 69 -1.682 18.434 -5.245 1.00 0.00 N ATOM 1020 CA GLU A 69 -1.266 19.482 -6.170 1.00 0.00 C ATOM 1021 C GLU A 69 -2.475 20.215 -6.742 1.00 0.00 C ATOM 1022 O GLU A 69 -2.351 21.313 -7.282 1.00 0.00 O ATOM 1023 CB GLU A 69 -0.430 18.889 -7.306 1.00 0.00 C ATOM 1024 CG GLU A 69 -1.261 18.400 -8.481 1.00 0.00 C ATOM 1025 CD GLU A 69 -0.480 17.491 -9.410 1.00 0.00 C ATOM 1026 OE1 GLU A 69 0.506 17.963 -10.013 1.00 0.00 O ATOM 1027 OE2 GLU A 69 -0.855 16.307 -9.533 1.00 0.00 O ATOM 0 H GLU A 69 -1.885 17.537 -5.687 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.658 20.198 -5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.275 19.642 -7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.159 18.058 -6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.134 17.866 -8.106 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.629 19.258 -9.043 1.00 0.00 H new ATOM 1034 N ASN A 70 -3.646 19.597 -6.619 1.00 0.00 N ATOM 1035 CA ASN A 70 -4.879 20.189 -7.125 1.00 0.00 C ATOM 1036 C ASN A 70 -5.438 21.209 -6.138 1.00 0.00 C ATOM 1037 O ASN A 70 -6.296 22.021 -6.487 1.00 0.00 O ATOM 1038 CB ASN A 70 -5.920 19.100 -7.394 1.00 0.00 C ATOM 1039 CG ASN A 70 -6.970 19.538 -8.396 1.00 0.00 C ATOM 1040 OD1 ASN A 70 -7.269 20.725 -8.520 1.00 0.00 O ATOM 1041 ND2 ASN A 70 -7.535 18.578 -9.119 1.00 0.00 N ATOM 0 H ASN A 70 -3.766 18.687 -6.174 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.649 20.702 -8.059 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.419 18.206 -7.765 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.407 18.827 -6.458 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.247 18.812 -9.810 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.256 17.606 -8.983 1.00 0.00 H new ATOM 1048 N TYR A 71 -4.946 21.162 -4.906 1.00 0.00 N ATOM 1049 CA TYR A 71 -5.396 22.081 -3.867 1.00 0.00 C ATOM 1050 C TYR A 71 -4.624 23.395 -3.930 1.00 0.00 C ATOM 1051 O TYR A 71 -3.395 23.403 -4.009 1.00 0.00 O ATOM 1052 CB TYR A 71 -5.230 21.443 -2.486 1.00 0.00 C ATOM 1053 CG TYR A 71 -6.186 20.302 -2.227 1.00 0.00 C ATOM 1054 CD1 TYR A 71 -7.550 20.447 -2.451 1.00 0.00 C ATOM 1055 CD2 TYR A 71 -5.726 19.077 -1.759 1.00 0.00 C ATOM 1056 CE1 TYR A 71 -8.427 19.407 -2.215 1.00 0.00 C ATOM 1057 CE2 TYR A 71 -6.597 18.031 -1.521 1.00 0.00 C ATOM 1058 CZ TYR A 71 -7.946 18.200 -1.750 1.00 0.00 C ATOM 1059 OH TYR A 71 -8.816 17.161 -1.515 1.00 0.00 O ATOM 0 H TYR A 71 -4.235 20.497 -4.602 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.452 22.293 -4.037 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.208 21.079 -2.384 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.374 22.207 -1.722 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.931 21.390 -2.816 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.670 18.940 -1.578 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.484 19.537 -2.393 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.223 17.085 -1.157 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.666 17.337 -1.969 1.00 0.00 H new ATOM 1069 N ASP A 72 -5.353 24.505 -3.892 1.00 0.00 N ATOM 1070 CA ASP A 72 -4.739 25.826 -3.941 1.00 0.00 C ATOM 1071 C ASP A 72 -3.722 25.996 -2.818 1.00 0.00 C ATOM 1072 O ASP A 72 -3.886 25.443 -1.729 1.00 0.00 O ATOM 1073 CB ASP A 72 -5.810 26.914 -3.845 1.00 0.00 C ATOM 1074 CG ASP A 72 -7.093 26.529 -4.556 1.00 0.00 C ATOM 1075 OD1 ASP A 72 -7.163 26.702 -5.791 1.00 0.00 O ATOM 1076 OD2 ASP A 72 -8.026 26.051 -3.877 1.00 0.00 O ATOM 0 H ASP A 72 -6.371 24.516 -3.827 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.219 25.922 -4.894 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.026 27.115 -2.796 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.424 27.839 -4.274 1.00 0.00 H new ATOM 1081 N LEU A 73 -2.670 26.761 -3.089 1.00 0.00 N ATOM 1082 CA LEU A 73 -1.625 27.003 -2.101 1.00 0.00 C ATOM 1083 C LEU A 73 -2.224 27.212 -0.713 1.00 0.00 C ATOM 1084 O LEU A 73 -1.790 26.598 0.260 1.00 0.00 O ATOM 1085 CB LEU A 73 -0.792 28.223 -2.498 1.00 0.00 C ATOM 1086 CG LEU A 73 0.284 28.654 -1.502 1.00 0.00 C ATOM 1087 CD1 LEU A 73 0.985 27.439 -0.915 1.00 0.00 C ATOM 1088 CD2 LEU A 73 1.290 29.580 -2.171 1.00 0.00 C ATOM 0 H LEU A 73 -2.518 27.224 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.980 26.125 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.311 28.014 -3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.468 29.063 -2.658 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.197 29.199 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.748 27.765 -0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.257 26.813 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.453 26.867 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.049 29.877 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.766 29.060 -3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.777 30.467 -2.543 1.00 0.00 H new ATOM 1100 N ALA A 74 -3.227 28.081 -0.632 1.00 0.00 N ATOM 1101 CA ALA A 74 -3.889 28.368 0.634 1.00 0.00 C ATOM 1102 C ALA A 74 -4.537 27.114 1.210 1.00 0.00 C ATOM 1103 O ALA A 74 -4.553 26.913 2.426 1.00 0.00 O ATOM 1104 CB ALA A 74 -4.926 29.464 0.451 1.00 0.00 C ATOM 0 H ALA A 74 -3.598 28.598 -1.429 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.134 28.713 1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.412 29.668 1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.438 30.370 0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.672 29.141 -0.275 1.00 0.00 H new ATOM 1110 N THR A 75 -5.071 26.272 0.331 1.00 0.00 N ATOM 1111 CA THR A 75 -5.723 25.039 0.754 1.00 0.00 C ATOM 1112 C THR A 75 -4.705 24.025 1.263 1.00 0.00 C ATOM 1113 O THR A 75 -4.847 23.484 2.360 1.00 0.00 O ATOM 1114 CB THR A 75 -6.528 24.407 -0.398 1.00 0.00 C ATOM 1115 OG1 THR A 75 -7.406 25.379 -0.974 1.00 0.00 O ATOM 1116 CG2 THR A 75 -7.336 23.216 0.097 1.00 0.00 C ATOM 0 H THR A 75 -5.065 26.421 -0.678 1.00 0.00 H new ATOM 0 HA THR A 75 -6.404 25.303 1.563 1.00 0.00 H new ATOM 0 HB THR A 75 -5.825 24.060 -1.155 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.359 25.324 -1.951 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.896 22.786 -0.733 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.662 22.464 0.508 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.030 23.543 0.872 1.00 0.00 H new ATOM 1124 N LEU A 76 -3.676 23.773 0.460 1.00 0.00 N ATOM 1125 CA LEU A 76 -2.632 22.823 0.830 1.00 0.00 C ATOM 1126 C LEU A 76 -2.188 23.038 2.274 1.00 0.00 C ATOM 1127 O LEU A 76 -2.199 22.110 3.083 1.00 0.00 O ATOM 1128 CB LEU A 76 -1.433 22.962 -0.109 1.00 0.00 C ATOM 1129 CG LEU A 76 -1.452 22.078 -1.357 1.00 0.00 C ATOM 1130 CD1 LEU A 76 -0.286 22.418 -2.270 1.00 0.00 C ATOM 1131 CD2 LEU A 76 -1.418 20.607 -0.969 1.00 0.00 C ATOM 0 H LEU A 76 -3.543 24.213 -0.451 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.042 21.817 0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.364 24.003 -0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.527 22.740 0.455 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.378 22.268 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.316 21.779 -3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.356 23.462 -2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.652 22.257 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.432 19.993 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.509 20.401 -0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.288 20.372 -0.356 1.00 0.00 H new ATOM 1143 N LYS A 77 -1.800 24.268 2.592 1.00 0.00 N ATOM 1144 CA LYS A 77 -1.356 24.608 3.939 1.00 0.00 C ATOM 1145 C LYS A 77 -2.355 24.115 4.981 1.00 0.00 C ATOM 1146 O LYS A 77 -1.973 23.500 5.977 1.00 0.00 O ATOM 1147 CB LYS A 77 -1.170 26.121 4.070 1.00 0.00 C ATOM 1148 CG LYS A 77 -0.026 26.668 3.235 1.00 0.00 C ATOM 1149 CD LYS A 77 -0.295 28.095 2.787 1.00 0.00 C ATOM 1150 CE LYS A 77 0.948 28.734 2.187 1.00 0.00 C ATOM 1151 NZ LYS A 77 1.775 29.416 3.220 1.00 0.00 N ATOM 0 H LYS A 77 -1.784 25.047 1.934 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.400 24.115 4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.094 26.619 3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.995 26.368 5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.897 26.635 3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.124 26.034 2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.100 28.101 2.052 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.635 28.686 3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.545 27.970 1.690 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.654 29.454 1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.612 29.838 2.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.213 30.163 3.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.078 28.724 3.935 1.00 0.00 H new ATOM 1165 N TRP A 78 -3.633 24.388 4.745 1.00 0.00 N ATOM 1166 CA TRP A 78 -4.686 23.970 5.663 1.00 0.00 C ATOM 1167 C TRP A 78 -4.540 22.497 6.025 1.00 0.00 C ATOM 1168 O TRP A 78 -4.454 22.143 7.201 1.00 0.00 O ATOM 1169 CB TRP A 78 -6.061 24.223 5.043 1.00 0.00 C ATOM 1170 CG TRP A 78 -7.193 24.006 6.002 1.00 0.00 C ATOM 1171 CD1 TRP A 78 -7.840 24.961 6.734 1.00 0.00 C ATOM 1172 CD2 TRP A 78 -7.810 22.758 6.331 1.00 0.00 C ATOM 1173 NE1 TRP A 78 -8.822 24.379 7.500 1.00 0.00 N ATOM 1174 CE2 TRP A 78 -8.825 23.030 7.270 1.00 0.00 C ATOM 1175 CE3 TRP A 78 -7.606 21.437 5.923 1.00 0.00 C ATOM 1176 CZ2 TRP A 78 -9.629 22.028 7.806 1.00 0.00 C ATOM 1177 CZ3 TRP A 78 -8.406 20.444 6.458 1.00 0.00 C ATOM 1178 CH2 TRP A 78 -9.408 20.744 7.390 1.00 0.00 C ATOM 0 H TRP A 78 -3.965 24.897 3.926 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.593 24.559 6.576 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -6.101 25.246 4.670 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.191 23.565 4.184 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.614 26.017 6.714 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -9.447 24.873 8.137 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.838 21.196 5.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.401 22.257 8.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.256 19.419 6.152 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -10.018 19.946 7.788 1.00 0.00 H new ATOM 1189 N ILE A 79 -4.513 21.642 5.008 1.00 0.00 N ATOM 1190 CA ILE A 79 -4.376 20.206 5.221 1.00 0.00 C ATOM 1191 C ILE A 79 -3.284 19.904 6.240 1.00 0.00 C ATOM 1192 O ILE A 79 -3.522 19.223 7.239 1.00 0.00 O ATOM 1193 CB ILE A 79 -4.055 19.471 3.906 1.00 0.00 C ATOM 1194 CG1 ILE A 79 -5.192 19.658 2.900 1.00 0.00 C ATOM 1195 CG2 ILE A 79 -3.812 17.993 4.172 1.00 0.00 C ATOM 1196 CD1 ILE A 79 -4.900 19.063 1.540 1.00 0.00 C ATOM 0 H ILE A 79 -4.584 21.918 4.029 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.333 19.850 5.602 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.147 19.898 3.481 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.098 19.203 3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.394 20.723 2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.586 17.487 3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.971 17.880 4.857 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.704 17.552 4.617 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.749 19.233 0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.012 19.535 1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.728 17.991 1.641 1.00 0.00 H new ATOM 1208 N LEU A 80 -2.084 20.414 5.983 1.00 0.00 N ATOM 1209 CA LEU A 80 -0.954 20.200 6.880 1.00 0.00 C ATOM 1210 C LEU A 80 -1.253 20.744 8.273 1.00 0.00 C ATOM 1211 O LEU A 80 -0.813 20.182 9.277 1.00 0.00 O ATOM 1212 CB LEU A 80 0.302 20.868 6.318 1.00 0.00 C ATOM 1213 CG LEU A 80 1.064 20.077 5.254 1.00 0.00 C ATOM 1214 CD1 LEU A 80 2.114 20.953 4.589 1.00 0.00 C ATOM 1215 CD2 LEU A 80 1.708 18.843 5.867 1.00 0.00 C ATOM 0 H LEU A 80 -1.869 20.978 5.161 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.783 19.126 6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.018 21.830 5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.981 21.073 7.145 1.00 0.00 H new ATOM 0 HG LEU A 80 0.355 19.752 4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.646 20.374 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.629 21.807 4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.820 21.308 5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.246 18.292 5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.404 19.146 6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.936 18.205 6.297 1.00 0.00 H new ATOM 1227 N GLU A 81 -2.006 21.839 8.326 1.00 0.00 N ATOM 1228 CA GLU A 81 -2.364 22.458 9.597 1.00 0.00 C ATOM 1229 C GLU A 81 -3.256 21.532 10.420 1.00 0.00 C ATOM 1230 O GLU A 81 -2.974 21.255 11.584 1.00 0.00 O ATOM 1231 CB GLU A 81 -3.076 23.791 9.358 1.00 0.00 C ATOM 1232 CG GLU A 81 -2.145 24.991 9.383 1.00 0.00 C ATOM 1233 CD GLU A 81 -2.893 26.310 9.401 1.00 0.00 C ATOM 1234 OE1 GLU A 81 -3.587 26.585 10.402 1.00 0.00 O ATOM 1235 OE2 GLU A 81 -2.784 27.067 8.413 1.00 0.00 O ATOM 0 H GLU A 81 -2.379 22.315 7.505 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.446 22.640 10.155 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.583 23.755 8.394 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.846 23.923 10.118 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.503 24.930 10.262 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.494 24.959 8.510 1.00 0.00 H new ATOM 1242 N ASN A 82 -4.334 21.058 9.804 1.00 0.00 N ATOM 1243 CA ASN A 82 -5.269 20.165 10.479 1.00 0.00 C ATOM 1244 C ASN A 82 -5.047 18.719 10.048 1.00 0.00 C ATOM 1245 O ASN A 82 -5.991 17.933 9.961 1.00 0.00 O ATOM 1246 CB ASN A 82 -6.711 20.582 10.181 1.00 0.00 C ATOM 1247 CG ASN A 82 -7.037 21.962 10.719 1.00 0.00 C ATOM 1248 OD1 ASN A 82 -7.999 22.138 11.468 1.00 0.00 O ATOM 1249 ND2 ASN A 82 -6.234 22.950 10.339 1.00 0.00 N ATOM 0 H ASN A 82 -4.582 21.277 8.839 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.091 20.237 11.552 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.875 20.567 9.104 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.395 19.854 10.618 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.403 23.900 10.669 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.449 22.758 9.717 1.00 0.00 H new ATOM 1256 N LYS A 83 -3.793 18.373 9.780 1.00 0.00 N ATOM 1257 CA LYS A 83 -3.444 17.021 9.360 1.00 0.00 C ATOM 1258 C LYS A 83 -3.452 16.064 10.547 1.00 0.00 C ATOM 1259 O LYS A 83 -3.990 14.960 10.462 1.00 0.00 O ATOM 1260 CB LYS A 83 -2.067 17.012 8.693 1.00 0.00 C ATOM 1261 CG LYS A 83 -0.913 17.070 9.679 1.00 0.00 C ATOM 1262 CD LYS A 83 0.425 17.174 8.966 1.00 0.00 C ATOM 1263 CE LYS A 83 1.587 17.060 9.941 1.00 0.00 C ATOM 1264 NZ LYS A 83 2.902 17.071 9.242 1.00 0.00 N ATOM 0 H LYS A 83 -3.000 19.011 9.846 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.191 16.686 8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.972 16.111 8.088 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.996 17.861 8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.041 17.927 10.341 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.924 16.178 10.306 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.500 16.387 8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.484 18.126 8.438 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.547 17.885 10.652 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.489 16.139 10.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.668 16.991 9.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.951 16.269 8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.007 17.961 8.714 1.00 0.00 H new ATOM 1278 N ALA A 84 -2.854 16.493 11.652 1.00 0.00 N ATOM 1279 CA ALA A 84 -2.796 15.675 12.857 1.00 0.00 C ATOM 1280 C ALA A 84 -4.117 14.952 13.094 1.00 0.00 C ATOM 1281 O ALA A 84 -4.157 13.905 13.739 1.00 0.00 O ATOM 1282 CB ALA A 84 -2.439 16.534 14.061 1.00 0.00 C ATOM 0 H ALA A 84 -2.402 17.403 11.738 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.020 14.922 12.718 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.399 15.910 14.954 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.467 17.000 13.900 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.195 17.308 14.193 1.00 0.00 H new ATOM 1288 N GLY A 85 -5.199 15.518 12.567 1.00 0.00 N ATOM 1289 CA GLY A 85 -6.508 14.913 12.733 1.00 0.00 C ATOM 1290 C GLY A 85 -6.879 14.007 11.577 1.00 0.00 C ATOM 1291 O GLY A 85 -7.610 13.032 11.753 1.00 0.00 O ATOM 0 H GLY A 85 -5.192 16.384 12.028 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.525 14.339 13.660 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.258 15.698 12.830 1.00 0.00 H new ATOM 1295 N ILE A 86 -6.375 14.327 10.389 1.00 0.00 N ATOM 1296 CA ILE A 86 -6.658 13.535 9.200 1.00 0.00 C ATOM 1297 C ILE A 86 -6.418 12.051 9.458 1.00 0.00 C ATOM 1298 O ILE A 86 -5.321 11.647 9.843 1.00 0.00 O ATOM 1299 CB ILE A 86 -5.794 13.982 8.006 1.00 0.00 C ATOM 1300 CG1 ILE A 86 -6.383 15.240 7.364 1.00 0.00 C ATOM 1301 CG2 ILE A 86 -5.682 12.862 6.983 1.00 0.00 C ATOM 1302 CD1 ILE A 86 -5.544 15.792 6.234 1.00 0.00 C ATOM 0 H ILE A 86 -5.768 15.130 10.226 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.709 13.695 8.958 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.794 14.217 8.369 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.380 15.013 6.987 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.498 16.008 8.129 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.068 13.194 6.146 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.221 11.990 7.447 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.676 12.598 6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.023 16.683 5.827 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.554 16.051 6.609 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.450 15.041 5.450 1.00 0.00 H new ATOM 1314 N SER A 87 -7.451 11.244 9.243 1.00 0.00 N ATOM 1315 CA SER A 87 -7.355 9.804 9.454 1.00 0.00 C ATOM 1316 C SER A 87 -7.684 9.044 8.173 1.00 0.00 C ATOM 1317 O SER A 87 -8.152 9.626 7.195 1.00 0.00 O ATOM 1318 CB SER A 87 -8.298 9.368 10.577 1.00 0.00 C ATOM 1319 OG SER A 87 -7.649 9.414 11.836 1.00 0.00 O ATOM 0 H SER A 87 -8.365 11.563 8.922 1.00 0.00 H new ATOM 0 HA SER A 87 -6.329 9.571 9.740 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.174 10.016 10.592 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.654 8.356 10.385 1.00 0.00 H new ATOM 0 HG SER A 87 -8.274 9.132 12.537 1.00 0.00 H new ATOM 1325 N PHE A 88 -7.436 7.738 8.187 1.00 0.00 N ATOM 1326 CA PHE A 88 -7.704 6.896 7.027 1.00 0.00 C ATOM 1327 C PHE A 88 -8.533 5.677 7.421 1.00 0.00 C ATOM 1328 O PHE A 88 -8.083 4.831 8.194 1.00 0.00 O ATOM 1329 CB PHE A 88 -6.392 6.448 6.381 1.00 0.00 C ATOM 1330 CG PHE A 88 -5.909 7.374 5.301 1.00 0.00 C ATOM 1331 CD1 PHE A 88 -5.562 8.683 5.596 1.00 0.00 C ATOM 1332 CD2 PHE A 88 -5.804 6.936 3.990 1.00 0.00 C ATOM 1333 CE1 PHE A 88 -5.117 9.537 4.604 1.00 0.00 C ATOM 1334 CE2 PHE A 88 -5.359 7.786 2.995 1.00 0.00 C ATOM 1335 CZ PHE A 88 -5.017 9.088 3.302 1.00 0.00 C ATOM 0 H PHE A 88 -7.050 7.240 8.989 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.273 7.483 6.306 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.625 6.370 7.151 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.525 5.451 5.961 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.640 9.040 6.612 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.073 5.919 3.743 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.848 10.554 4.847 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.279 7.432 1.978 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.672 9.754 2.525 1.00 0.00 H new ATOM 1345 N ILE A 89 -9.745 5.594 6.882 1.00 0.00 N ATOM 1346 CA ILE A 89 -10.635 4.478 7.176 1.00 0.00 C ATOM 1347 C ILE A 89 -10.684 3.492 6.014 1.00 0.00 C ATOM 1348 O ILE A 89 -11.478 3.651 5.086 1.00 0.00 O ATOM 1349 CB ILE A 89 -12.065 4.965 7.483 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -12.045 5.993 8.616 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -12.959 3.788 7.844 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -13.095 7.071 8.472 1.00 0.00 C ATOM 0 H ILE A 89 -10.133 6.286 6.240 1.00 0.00 H new ATOM 0 HA ILE A 89 -10.233 3.977 8.057 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.470 5.443 6.591 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.192 5.478 9.565 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.060 6.459 8.655 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.965 4.148 8.058 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.994 3.088 7.009 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.559 3.284 8.724 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -13.022 7.764 9.310 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -12.936 7.612 7.539 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.085 6.616 8.463 1.00 0.00 H new ATOM 1364 N ILE A 90 -9.833 2.474 6.072 1.00 0.00 N ATOM 1365 CA ILE A 90 -9.781 1.461 5.025 1.00 0.00 C ATOM 1366 C ILE A 90 -11.012 0.563 5.068 1.00 0.00 C ATOM 1367 O ILE A 90 -11.217 -0.181 6.028 1.00 0.00 O ATOM 1368 CB ILE A 90 -8.518 0.589 5.148 1.00 0.00 C ATOM 1369 CG1 ILE A 90 -7.546 0.898 4.006 1.00 0.00 C ATOM 1370 CG2 ILE A 90 -8.890 -0.886 5.148 1.00 0.00 C ATOM 1371 CD1 ILE A 90 -6.555 1.993 4.337 1.00 0.00 C ATOM 0 H ILE A 90 -9.170 2.328 6.833 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.755 1.992 4.073 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.026 0.820 6.093 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.000 -0.010 3.748 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.115 1.189 3.123 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.986 -1.489 5.236 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.549 -1.095 5.991 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.402 -1.132 4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.898 2.159 3.483 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.093 2.913 4.566 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.960 1.696 5.201 1.00 0.00 H new ATOM 1383 N LYS A 91 -11.828 0.635 4.023 1.00 0.00 N ATOM 1384 CA LYS A 91 -13.038 -0.175 3.938 1.00 0.00 C ATOM 1385 C LYS A 91 -12.774 -1.471 3.180 1.00 0.00 C ATOM 1386 O LYS A 91 -13.409 -2.493 3.439 1.00 0.00 O ATOM 1387 CB LYS A 91 -14.156 0.613 3.250 1.00 0.00 C ATOM 1388 CG LYS A 91 -14.281 2.045 3.741 1.00 0.00 C ATOM 1389 CD LYS A 91 -15.239 2.150 4.916 1.00 0.00 C ATOM 1390 CE LYS A 91 -15.942 3.499 4.942 1.00 0.00 C ATOM 1391 NZ LYS A 91 -17.255 3.454 4.239 1.00 0.00 N ATOM 0 H LYS A 91 -11.674 1.247 3.222 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.349 -0.426 4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.975 0.621 2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.104 0.099 3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.300 2.416 4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.631 2.680 2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.980 1.353 4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.692 2.006 5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -16.094 3.809 5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.305 4.250 4.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.702 4.392 4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.108 3.182 3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.872 2.756 4.701 1.00 0.00 H new ATOM 1405 N ARG A 92 -11.832 -1.422 2.243 1.00 0.00 N ATOM 1406 CA ARG A 92 -11.484 -2.592 1.448 1.00 0.00 C ATOM 1407 C ARG A 92 -10.353 -2.272 0.475 1.00 0.00 C ATOM 1408 O ARG A 92 -10.408 -1.303 -0.282 1.00 0.00 O ATOM 1409 CB ARG A 92 -12.708 -3.094 0.677 1.00 0.00 C ATOM 1410 CG ARG A 92 -12.367 -4.068 -0.439 1.00 0.00 C ATOM 1411 CD ARG A 92 -11.872 -3.343 -1.680 1.00 0.00 C ATOM 1412 NE ARG A 92 -12.222 -4.055 -2.906 1.00 0.00 N ATOM 1413 CZ ARG A 92 -11.737 -5.249 -3.227 1.00 0.00 C ATOM 1414 NH1 ARG A 92 -10.885 -5.862 -2.416 1.00 0.00 N ATOM 1415 NH2 ARG A 92 -12.104 -5.832 -4.361 1.00 0.00 N ATOM 0 H ARG A 92 -11.297 -0.584 2.017 1.00 0.00 H new ATOM 0 HA ARG A 92 -11.145 -3.374 2.128 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.392 -3.578 1.374 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.236 -2.239 0.253 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.603 -4.765 -0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.248 -4.659 -0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.299 -2.340 -1.709 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.790 -3.227 -1.625 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.875 -3.611 -3.551 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.601 -5.416 -1.544 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.514 -6.779 -2.665 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.759 -5.363 -4.987 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.731 -6.749 -4.607 1.00 0.00 H new ATOM 1429 N PRO A 93 -9.302 -3.105 0.493 1.00 0.00 N ATOM 1430 CA PRO A 93 -8.139 -2.931 -0.381 1.00 0.00 C ATOM 1431 C PRO A 93 -8.463 -3.218 -1.842 1.00 0.00 C ATOM 1432 O PRO A 93 -8.957 -4.294 -2.180 1.00 0.00 O ATOM 1433 CB PRO A 93 -7.136 -3.957 0.155 1.00 0.00 C ATOM 1434 CG PRO A 93 -7.975 -5.002 0.807 1.00 0.00 C ATOM 1435 CD PRO A 93 -9.170 -4.282 1.369 1.00 0.00 C ATOM 0 HA PRO A 93 -7.770 -1.905 -0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.533 -4.378 -0.649 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.446 -3.502 0.866 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.280 -5.762 0.088 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.421 -5.512 1.595 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.064 -4.905 1.342 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.013 -3.994 2.408 1.00 0.00 H new