USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 515 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 112:sc= -0.372 USER MOD Single : A 20 ASN : amide:sc= -0.0933 K(o=-0.093,f=-1.8!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -85:sc= 0.0825 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN :FLIP amide:sc= -3.02! C(o=-4.6!,f=-3!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00341 USER MOD Single : A 40 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.143) USER MOD Single : A 42 GLN : amide:sc= -2.32 K(o=-2.3,f=-5.3!) USER MOD Single : A 44 ASN : amide:sc= -0.0969 K(o=-0.097,f=-0.75) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.00034) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HE2:sc= -17.8! C(o=-18!,f=-19!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -0.157 F(o=-1.4,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 137 N LYS A 11 4.744 8.280 -2.584 1.00 0.00 N ATOM 138 CA LYS A 11 5.117 7.507 -3.804 1.00 0.00 C ATOM 139 C LYS A 11 4.863 6.014 -3.589 1.00 0.00 C ATOM 140 O LYS A 11 4.507 5.299 -4.506 1.00 0.00 O ATOM 141 CB LYS A 11 6.609 7.776 -4.001 1.00 0.00 C ATOM 142 CG LYS A 11 6.928 7.819 -5.498 1.00 0.00 C ATOM 143 CD LYS A 11 7.912 8.956 -5.778 1.00 0.00 C ATOM 144 CE LYS A 11 7.762 9.419 -7.229 1.00 0.00 C ATOM 145 NZ LYS A 11 7.776 10.907 -7.162 1.00 0.00 N ATOM 0 HA LYS A 11 4.530 7.803 -4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.884 8.721 -3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.197 6.997 -3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.354 6.868 -5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.013 7.966 -6.071 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.725 9.788 -5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.933 8.620 -5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.576 9.044 -7.849 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.833 9.052 -7.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.677 11.299 -8.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.986 11.235 -6.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.675 11.227 -6.748 1.00 0.00 H new ATOM 159 N TYR A 12 5.043 5.534 -2.387 1.00 0.00 N ATOM 160 CA TYR A 12 4.813 4.082 -2.122 1.00 0.00 C ATOM 161 C TYR A 12 4.248 3.879 -0.715 1.00 0.00 C ATOM 162 O TYR A 12 4.007 4.826 0.008 1.00 0.00 O ATOM 163 CB TYR A 12 6.192 3.436 -2.233 1.00 0.00 C ATOM 164 CG TYR A 12 6.469 3.071 -3.672 1.00 0.00 C ATOM 165 CD1 TYR A 12 6.922 4.046 -4.567 1.00 0.00 C ATOM 166 CD2 TYR A 12 6.278 1.754 -4.108 1.00 0.00 C ATOM 167 CE1 TYR A 12 7.182 3.706 -5.900 1.00 0.00 C ATOM 168 CE2 TYR A 12 6.538 1.415 -5.441 1.00 0.00 C ATOM 169 CZ TYR A 12 6.990 2.391 -6.338 1.00 0.00 C ATOM 170 OH TYR A 12 7.245 2.055 -7.651 1.00 0.00 O ATOM 0 H TYR A 12 5.338 6.082 -1.579 1.00 0.00 H new ATOM 0 HA TYR A 12 4.096 3.648 -2.820 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.956 4.122 -1.868 1.00 0.00 H new ATOM 0 HB3 TYR A 12 6.238 2.545 -1.606 1.00 0.00 H new ATOM 0 HD1 TYR A 12 7.071 5.061 -4.230 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.930 1.001 -3.417 1.00 0.00 H new ATOM 0 HE1 TYR A 12 7.531 4.459 -6.591 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.390 0.400 -5.778 1.00 0.00 H new ATOM 0 HH TYR A 12 7.061 1.102 -7.786 1.00 0.00 H new ATOM 180 N ALA A 13 4.036 2.650 -0.319 1.00 0.00 N ATOM 181 CA ALA A 13 3.489 2.396 1.044 1.00 0.00 C ATOM 182 C ALA A 13 4.041 1.083 1.611 1.00 0.00 C ATOM 183 O ALA A 13 4.712 0.332 0.931 1.00 0.00 O ATOM 184 CB ALA A 13 1.975 2.308 0.853 1.00 0.00 C ATOM 0 H ALA A 13 4.217 1.817 -0.878 1.00 0.00 H new ATOM 0 HA ALA A 13 3.766 3.179 1.749 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.497 2.122 1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.605 3.246 0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.741 1.493 0.168 1.00 0.00 H new ATOM 190 N ARG A 14 3.760 0.808 2.858 1.00 0.00 N ATOM 191 CA ARG A 14 4.261 -0.448 3.490 1.00 0.00 C ATOM 192 C ARG A 14 3.151 -1.075 4.345 1.00 0.00 C ATOM 193 O ARG A 14 2.683 -0.479 5.294 1.00 0.00 O ATOM 194 CB ARG A 14 5.433 0.005 4.372 1.00 0.00 C ATOM 195 CG ARG A 14 5.934 -1.161 5.235 1.00 0.00 C ATOM 196 CD ARG A 14 6.891 -2.030 4.419 1.00 0.00 C ATOM 197 NE ARG A 14 8.252 -1.627 4.868 1.00 0.00 N ATOM 198 CZ ARG A 14 8.833 -2.269 5.845 1.00 0.00 C ATOM 199 NH1 ARG A 14 8.953 -3.567 5.791 1.00 0.00 N ATOM 200 NH2 ARG A 14 9.292 -1.613 6.875 1.00 0.00 N ATOM 0 H ARG A 14 3.201 1.404 3.469 1.00 0.00 H new ATOM 0 HA ARG A 14 4.565 -1.198 2.760 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.244 0.378 3.747 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.118 0.830 5.011 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.440 -0.779 6.122 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.091 -1.758 5.582 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.713 -3.090 4.600 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.762 -1.863 3.350 1.00 0.00 H new ATOM 0 HE ARG A 14 8.730 -0.850 4.413 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.593 -4.079 4.986 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.407 -4.069 6.554 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.197 -0.598 6.917 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.746 -2.115 7.638 1.00 0.00 H new ATOM 214 N ALA A 15 2.734 -2.272 4.021 1.00 0.00 N ATOM 215 CA ALA A 15 1.660 -2.938 4.821 1.00 0.00 C ATOM 216 C ALA A 15 1.998 -2.872 6.313 1.00 0.00 C ATOM 217 O ALA A 15 3.001 -3.401 6.757 1.00 0.00 O ATOM 218 CB ALA A 15 1.640 -4.389 4.340 1.00 0.00 C ATOM 0 H ALA A 15 3.090 -2.818 3.237 1.00 0.00 H new ATOM 0 HA ALA A 15 0.691 -2.456 4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.874 -4.942 4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.418 -4.416 3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.613 -4.845 4.520 1.00 0.00 H new ATOM 224 N LEU A 16 1.172 -2.212 7.079 1.00 0.00 N ATOM 225 CA LEU A 16 1.431 -2.082 8.543 1.00 0.00 C ATOM 226 C LEU A 16 0.983 -3.343 9.294 1.00 0.00 C ATOM 227 O LEU A 16 1.392 -3.584 10.412 1.00 0.00 O ATOM 228 CB LEU A 16 0.599 -0.871 8.972 1.00 0.00 C ATOM 229 CG LEU A 16 1.314 0.419 8.570 1.00 0.00 C ATOM 230 CD1 LEU A 16 0.452 1.621 8.966 1.00 0.00 C ATOM 231 CD2 LEU A 16 2.666 0.506 9.285 1.00 0.00 C ATOM 0 H LEU A 16 0.322 -1.753 6.751 1.00 0.00 H new ATOM 0 HA LEU A 16 2.491 -1.958 8.765 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.386 -0.912 8.506 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.443 -0.890 10.051 1.00 0.00 H new ATOM 0 HG LEU A 16 1.476 0.421 7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.959 2.542 8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.509 1.563 8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.292 1.614 10.044 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.172 1.427 8.995 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.508 0.502 10.364 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.281 -0.349 9.005 1.00 0.00 H new ATOM 243 N LYS A 17 0.151 -4.151 8.689 1.00 0.00 N ATOM 244 CA LYS A 17 -0.314 -5.400 9.371 1.00 0.00 C ATOM 245 C LYS A 17 -0.680 -6.463 8.328 1.00 0.00 C ATOM 246 O LYS A 17 -0.403 -6.310 7.155 1.00 0.00 O ATOM 247 CB LYS A 17 -1.541 -5.002 10.212 1.00 0.00 C ATOM 248 CG LYS A 17 -2.466 -4.059 9.428 1.00 0.00 C ATOM 249 CD LYS A 17 -2.756 -2.811 10.265 1.00 0.00 C ATOM 250 CE LYS A 17 -3.654 -3.186 11.448 1.00 0.00 C ATOM 251 NZ LYS A 17 -5.042 -2.955 10.963 1.00 0.00 N ATOM 0 H LYS A 17 -0.227 -4.002 7.753 1.00 0.00 H new ATOM 0 HA LYS A 17 0.464 -5.829 10.003 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.091 -5.896 10.504 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.214 -4.515 11.131 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.999 -3.776 8.485 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.398 -4.569 9.182 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.823 -2.377 10.626 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.243 -2.053 9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.506 -4.225 11.743 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.433 -2.573 12.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.717 -3.190 11.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.155 -1.956 10.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.225 -3.557 10.135 1.00 0.00 H new ATOM 265 N ASP A 18 -1.289 -7.544 8.745 1.00 0.00 N ATOM 266 CA ASP A 18 -1.656 -8.620 7.771 1.00 0.00 C ATOM 267 C ASP A 18 -3.083 -8.421 7.248 1.00 0.00 C ATOM 268 O ASP A 18 -3.965 -7.994 7.965 1.00 0.00 O ATOM 269 CB ASP A 18 -1.560 -9.923 8.562 1.00 0.00 C ATOM 270 CG ASP A 18 -0.093 -10.328 8.706 1.00 0.00 C ATOM 271 OD1 ASP A 18 0.551 -9.836 9.619 1.00 0.00 O ATOM 272 OD2 ASP A 18 0.363 -11.123 7.901 1.00 0.00 O ATOM 0 H ASP A 18 -1.548 -7.729 9.714 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.000 -8.615 6.900 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.011 -9.797 9.546 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.117 -10.710 8.054 1.00 0.00 H new ATOM 277 N TYR A 19 -3.307 -8.727 5.996 1.00 0.00 N ATOM 278 CA TYR A 19 -4.662 -8.561 5.408 1.00 0.00 C ATOM 279 C TYR A 19 -5.091 -9.834 4.676 1.00 0.00 C ATOM 280 O TYR A 19 -4.278 -10.548 4.120 1.00 0.00 O ATOM 281 CB TYR A 19 -4.507 -7.413 4.419 1.00 0.00 C ATOM 282 CG TYR A 19 -5.868 -6.910 4.027 1.00 0.00 C ATOM 283 CD1 TYR A 19 -6.802 -6.602 5.015 1.00 0.00 C ATOM 284 CD2 TYR A 19 -6.190 -6.750 2.678 1.00 0.00 C ATOM 285 CE1 TYR A 19 -8.069 -6.129 4.657 1.00 0.00 C ATOM 286 CE2 TYR A 19 -7.458 -6.279 2.313 1.00 0.00 C ATOM 287 CZ TYR A 19 -8.398 -5.967 3.306 1.00 0.00 C ATOM 288 OH TYR A 19 -9.646 -5.499 2.952 1.00 0.00 O ATOM 0 H TYR A 19 -2.601 -9.087 5.354 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.420 -8.364 6.166 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.924 -6.608 4.867 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.962 -7.749 3.537 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.547 -6.729 6.057 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.462 -6.989 1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -8.793 -5.889 5.422 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.711 -6.157 1.270 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.561 -4.603 2.564 1.00 0.00 H new ATOM 298 N ASN A 20 -6.368 -10.115 4.663 1.00 0.00 N ATOM 299 CA ASN A 20 -6.863 -11.335 3.963 1.00 0.00 C ATOM 300 C ASN A 20 -8.183 -11.032 3.245 1.00 0.00 C ATOM 301 O ASN A 20 -9.239 -11.024 3.847 1.00 0.00 O ATOM 302 CB ASN A 20 -7.076 -12.368 5.069 1.00 0.00 C ATOM 303 CG ASN A 20 -7.066 -13.774 4.464 1.00 0.00 C ATOM 304 OD1 ASN A 20 -6.390 -14.022 3.486 1.00 0.00 O ATOM 305 ND2 ASN A 20 -7.793 -14.710 5.009 1.00 0.00 N ATOM 0 H ASN A 20 -7.091 -9.550 5.109 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.164 -11.690 3.206 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.292 -12.279 5.821 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -8.024 -12.185 5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.794 -15.650 4.614 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.361 -14.502 5.830 1.00 0.00 H new ATOM 312 N VAL A 21 -8.128 -10.787 1.964 1.00 0.00 N ATOM 313 CA VAL A 21 -9.379 -10.487 1.200 1.00 0.00 C ATOM 314 C VAL A 21 -9.500 -11.421 -0.005 1.00 0.00 C ATOM 315 O VAL A 21 -8.601 -11.521 -0.818 1.00 0.00 O ATOM 316 CB VAL A 21 -9.259 -9.030 0.729 1.00 0.00 C ATOM 317 CG1 VAL A 21 -9.840 -8.098 1.790 1.00 0.00 C ATOM 318 CG2 VAL A 21 -7.791 -8.659 0.480 1.00 0.00 C ATOM 0 H VAL A 21 -7.271 -10.781 1.410 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.264 -10.633 1.819 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.813 -8.923 -0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.754 -7.065 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.890 -8.340 1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.291 -8.223 2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.729 -7.623 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.224 -8.778 1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.376 -9.312 -0.288 1.00 0.00 H new ATOM 328 N SER A 22 -10.607 -12.104 -0.128 1.00 0.00 N ATOM 329 CA SER A 22 -10.791 -13.031 -1.282 1.00 0.00 C ATOM 330 C SER A 22 -12.177 -12.833 -1.902 1.00 0.00 C ATOM 331 O SER A 22 -13.102 -13.571 -1.625 1.00 0.00 O ATOM 332 CB SER A 22 -10.664 -14.433 -0.689 1.00 0.00 C ATOM 333 OG SER A 22 -9.357 -14.932 -0.937 1.00 0.00 O ATOM 0 H SER A 22 -11.392 -12.060 0.522 1.00 0.00 H new ATOM 0 HA SER A 22 -10.061 -12.857 -2.073 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.858 -14.405 0.383 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.408 -15.096 -1.130 1.00 0.00 H new ATOM 0 HG SER A 22 -9.272 -15.831 -0.556 1.00 0.00 H new ATOM 339 N ASP A 23 -12.325 -11.841 -2.739 1.00 0.00 N ATOM 340 CA ASP A 23 -13.650 -11.594 -3.380 1.00 0.00 C ATOM 341 C ASP A 23 -13.524 -11.682 -4.904 1.00 0.00 C ATOM 342 O ASP A 23 -14.076 -12.564 -5.531 1.00 0.00 O ATOM 343 CB ASP A 23 -14.038 -10.177 -2.954 1.00 0.00 C ATOM 344 CG ASP A 23 -15.438 -9.852 -3.476 1.00 0.00 C ATOM 345 OD1 ASP A 23 -16.304 -10.705 -3.366 1.00 0.00 O ATOM 346 OD2 ASP A 23 -15.622 -8.753 -3.976 1.00 0.00 O ATOM 0 H ASP A 23 -11.586 -11.191 -3.007 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.398 -12.328 -3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.015 -10.094 -1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.317 -9.458 -3.344 1.00 0.00 H new ATOM 351 N THR A 24 -12.798 -10.775 -5.500 1.00 0.00 N ATOM 352 CA THR A 24 -12.630 -10.800 -6.982 1.00 0.00 C ATOM 353 C THR A 24 -11.313 -10.125 -7.367 1.00 0.00 C ATOM 354 O THR A 24 -10.458 -10.721 -7.995 1.00 0.00 O ATOM 355 CB THR A 24 -13.820 -10.012 -7.530 1.00 0.00 C ATOM 356 OG1 THR A 24 -13.999 -8.832 -6.760 1.00 0.00 O ATOM 357 CG2 THR A 24 -15.083 -10.870 -7.454 1.00 0.00 C ATOM 0 H THR A 24 -12.312 -10.015 -5.023 1.00 0.00 H new ATOM 0 HA THR A 24 -12.599 -11.814 -7.381 1.00 0.00 H new ATOM 0 HB THR A 24 -13.630 -9.743 -8.569 1.00 0.00 H new ATOM 0 HG1 THR A 24 -14.536 -9.038 -5.966 1.00 0.00 H new ATOM 0 HG21 THR A 24 -15.930 -10.306 -7.845 1.00 0.00 H new ATOM 0 HG22 THR A 24 -14.945 -11.775 -8.046 1.00 0.00 H new ATOM 0 HG23 THR A 24 -15.276 -11.142 -6.416 1.00 0.00 H new ATOM 365 N SER A 25 -11.143 -8.887 -6.990 1.00 0.00 N ATOM 366 CA SER A 25 -9.881 -8.167 -7.325 1.00 0.00 C ATOM 367 C SER A 25 -9.239 -7.619 -6.048 1.00 0.00 C ATOM 368 O SER A 25 -8.781 -6.494 -6.005 1.00 0.00 O ATOM 369 CB SER A 25 -10.307 -7.023 -8.245 1.00 0.00 C ATOM 370 OG SER A 25 -9.275 -6.773 -9.190 1.00 0.00 O ATOM 0 H SER A 25 -11.825 -8.342 -6.463 1.00 0.00 H new ATOM 0 HA SER A 25 -9.146 -8.816 -7.801 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.233 -7.280 -8.759 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.506 -6.125 -7.660 1.00 0.00 H new ATOM 0 HG SER A 25 -9.545 -6.041 -9.783 1.00 0.00 H new ATOM 376 N LEU A 26 -9.208 -8.408 -5.007 1.00 0.00 N ATOM 377 CA LEU A 26 -8.601 -7.939 -3.728 1.00 0.00 C ATOM 378 C LEU A 26 -7.100 -8.248 -3.712 1.00 0.00 C ATOM 379 O LEU A 26 -6.570 -8.840 -4.631 1.00 0.00 O ATOM 380 CB LEU A 26 -9.326 -8.727 -2.635 1.00 0.00 C ATOM 381 CG LEU A 26 -10.622 -8.009 -2.233 1.00 0.00 C ATOM 382 CD1 LEU A 26 -10.282 -6.702 -1.515 1.00 0.00 C ATOM 383 CD2 LEU A 26 -11.462 -7.706 -3.478 1.00 0.00 C ATOM 0 H LEU A 26 -9.578 -9.358 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.704 -6.863 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.554 -9.731 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.678 -8.837 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.194 -8.654 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.203 -6.193 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.696 -6.919 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.704 -6.061 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.379 -7.197 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.894 -7.067 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.712 -8.638 -3.984 1.00 0.00 H new ATOM 395 N LEU A 27 -6.414 -7.845 -2.676 1.00 0.00 N ATOM 396 CA LEU A 27 -4.945 -8.108 -2.600 1.00 0.00 C ATOM 397 C LEU A 27 -4.516 -8.282 -1.136 1.00 0.00 C ATOM 398 O LEU A 27 -4.301 -7.313 -0.439 1.00 0.00 O ATOM 399 CB LEU A 27 -4.299 -6.864 -3.231 1.00 0.00 C ATOM 400 CG LEU A 27 -2.823 -6.746 -2.818 1.00 0.00 C ATOM 401 CD1 LEU A 27 -1.958 -6.525 -4.061 1.00 0.00 C ATOM 402 CD2 LEU A 27 -2.650 -5.557 -1.864 1.00 0.00 C ATOM 0 H LEU A 27 -6.806 -7.345 -1.878 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.648 -9.021 -3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.374 -6.921 -4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.841 -5.970 -2.921 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.515 -7.664 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.912 -6.442 -3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.077 -7.368 -4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.268 -5.608 -4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.603 -5.474 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.960 -4.640 -2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.263 -5.711 -0.976 1.00 0.00 H new ATOM 414 N PRO A 28 -4.399 -9.519 -0.718 1.00 0.00 N ATOM 415 CA PRO A 28 -3.980 -9.809 0.673 1.00 0.00 C ATOM 416 C PRO A 28 -2.461 -9.671 0.806 1.00 0.00 C ATOM 417 O PRO A 28 -1.732 -9.809 -0.158 1.00 0.00 O ATOM 418 CB PRO A 28 -4.404 -11.259 0.878 1.00 0.00 C ATOM 419 CG PRO A 28 -4.435 -11.862 -0.492 1.00 0.00 C ATOM 420 CD PRO A 28 -4.649 -10.745 -1.485 1.00 0.00 C ATOM 0 HA PRO A 28 -4.420 -9.131 1.405 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.701 -11.786 1.523 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -5.382 -11.319 1.356 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.501 -12.384 -0.700 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.235 -12.598 -0.567 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.967 -10.830 -2.331 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.661 -10.761 -1.889 1.00 0.00 H new ATOM 428 N PHE A 29 -1.973 -9.410 1.990 1.00 0.00 N ATOM 429 CA PHE A 29 -0.495 -9.276 2.175 1.00 0.00 C ATOM 430 C PHE A 29 -0.118 -9.515 3.638 1.00 0.00 C ATOM 431 O PHE A 29 -0.964 -9.754 4.477 1.00 0.00 O ATOM 432 CB PHE A 29 -0.132 -7.845 1.749 1.00 0.00 C ATOM 433 CG PHE A 29 -1.240 -6.883 2.110 1.00 0.00 C ATOM 434 CD1 PHE A 29 -1.269 -6.285 3.376 1.00 0.00 C ATOM 435 CD2 PHE A 29 -2.235 -6.586 1.174 1.00 0.00 C ATOM 436 CE1 PHE A 29 -2.295 -5.390 3.701 1.00 0.00 C ATOM 437 CE2 PHE A 29 -3.261 -5.692 1.502 1.00 0.00 C ATOM 438 CZ PHE A 29 -3.290 -5.094 2.765 1.00 0.00 C ATOM 0 H PHE A 29 -2.530 -9.284 2.835 1.00 0.00 H new ATOM 0 HA PHE A 29 0.047 -10.011 1.580 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.794 -7.539 2.235 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.047 -7.815 0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.501 -6.514 4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.212 -7.047 0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.318 -4.927 4.677 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.030 -5.464 0.779 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.081 -4.403 3.018 1.00 0.00 H new ATOM 448 N LYS A 30 1.152 -9.461 3.945 1.00 0.00 N ATOM 449 CA LYS A 30 1.592 -9.694 5.352 1.00 0.00 C ATOM 450 C LYS A 30 2.147 -8.405 5.966 1.00 0.00 C ATOM 451 O LYS A 30 2.535 -7.488 5.270 1.00 0.00 O ATOM 452 CB LYS A 30 2.690 -10.753 5.246 1.00 0.00 C ATOM 453 CG LYS A 30 2.754 -11.559 6.545 1.00 0.00 C ATOM 454 CD LYS A 30 4.159 -12.139 6.718 1.00 0.00 C ATOM 455 CE LYS A 30 4.412 -13.200 5.645 1.00 0.00 C ATOM 456 NZ LYS A 30 5.666 -13.884 6.069 1.00 0.00 N ATOM 0 H LYS A 30 1.903 -9.266 3.283 1.00 0.00 H new ATOM 0 HA LYS A 30 0.769 -10.013 5.992 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.489 -11.416 4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.651 -10.276 5.054 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.505 -10.921 7.393 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.018 -12.362 6.523 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.903 -11.346 6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.262 -12.579 7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.581 -13.903 5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.523 -12.747 4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.906 -14.627 5.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.441 -13.192 6.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.528 -14.312 7.007 1.00 0.00 H new ATOM 470 N ARG A 31 2.182 -8.335 7.270 1.00 0.00 N ATOM 471 CA ARG A 31 2.706 -7.114 7.955 1.00 0.00 C ATOM 472 C ARG A 31 4.089 -6.735 7.413 1.00 0.00 C ATOM 473 O ARG A 31 4.657 -7.431 6.596 1.00 0.00 O ATOM 474 CB ARG A 31 2.808 -7.504 9.429 1.00 0.00 C ATOM 475 CG ARG A 31 2.892 -6.245 10.293 1.00 0.00 C ATOM 476 CD ARG A 31 2.221 -6.504 11.643 1.00 0.00 C ATOM 477 NE ARG A 31 3.062 -7.546 12.295 1.00 0.00 N ATOM 478 CZ ARG A 31 4.038 -7.195 13.088 1.00 0.00 C ATOM 479 NH1 ARG A 31 3.789 -6.481 14.151 1.00 0.00 N ATOM 480 NH2 ARG A 31 5.262 -7.558 12.817 1.00 0.00 N ATOM 0 H ARG A 31 1.868 -9.076 7.896 1.00 0.00 H new ATOM 0 HA ARG A 31 2.059 -6.251 7.795 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.941 -8.098 9.718 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.688 -8.126 9.590 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.934 -5.963 10.442 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.405 -5.411 9.787 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.180 -5.596 12.245 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.195 -6.848 11.515 1.00 0.00 H new ATOM 0 HE ARG A 31 2.875 -8.534 12.122 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.832 -6.197 14.362 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.551 -6.206 14.771 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.456 -8.116 11.986 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.024 -7.284 13.437 1.00 0.00 H new ATOM 494 N ASN A 32 4.627 -5.633 7.880 1.00 0.00 N ATOM 495 CA ASN A 32 5.981 -5.164 7.428 1.00 0.00 C ATOM 496 C ASN A 32 6.243 -5.519 5.958 1.00 0.00 C ATOM 497 O ASN A 32 7.265 -6.082 5.621 1.00 0.00 O ATOM 498 CB ASN A 32 6.981 -5.877 8.344 1.00 0.00 C ATOM 499 CG ASN A 32 6.883 -7.392 8.147 1.00 0.00 C ATOM 500 OD1 ASN A 32 6.126 -8.092 8.947 1.00 0.00 O flip ATOM 501 ND2 ASN A 32 7.502 -7.943 7.259 1.00 0.00 N flip ATOM 0 H ASN A 32 4.179 -5.027 8.567 1.00 0.00 H new ATOM 0 HA ASN A 32 6.065 -4.079 7.492 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.993 -5.538 8.125 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.779 -5.623 9.385 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.094 -7.395 6.634 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.430 -8.953 7.138 1.00 0.00 H new ATOM 508 N ASP A 33 5.330 -5.191 5.085 1.00 0.00 N ATOM 509 CA ASP A 33 5.533 -5.506 3.640 1.00 0.00 C ATOM 510 C ASP A 33 5.493 -4.219 2.815 1.00 0.00 C ATOM 511 O ASP A 33 4.827 -3.273 3.168 1.00 0.00 O ATOM 512 CB ASP A 33 4.368 -6.422 3.263 1.00 0.00 C ATOM 513 CG ASP A 33 4.550 -6.917 1.826 1.00 0.00 C ATOM 514 OD1 ASP A 33 4.450 -6.102 0.924 1.00 0.00 O ATOM 515 OD2 ASP A 33 4.785 -8.100 1.654 1.00 0.00 O ATOM 0 H ASP A 33 4.454 -4.719 5.308 1.00 0.00 H new ATOM 0 HA ASP A 33 6.497 -5.979 3.450 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.322 -7.269 3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.424 -5.885 3.357 1.00 0.00 H new ATOM 520 N ILE A 34 6.203 -4.173 1.722 1.00 0.00 N ATOM 521 CA ILE A 34 6.198 -2.938 0.884 1.00 0.00 C ATOM 522 C ILE A 34 5.156 -3.073 -0.230 1.00 0.00 C ATOM 523 O ILE A 34 5.335 -3.814 -1.176 1.00 0.00 O ATOM 524 CB ILE A 34 7.617 -2.848 0.315 1.00 0.00 C ATOM 525 CG1 ILE A 34 8.549 -2.268 1.376 1.00 0.00 C ATOM 526 CG2 ILE A 34 7.644 -1.943 -0.915 1.00 0.00 C ATOM 527 CD1 ILE A 34 8.936 -3.369 2.351 1.00 0.00 C ATOM 0 H ILE A 34 6.785 -4.934 1.372 1.00 0.00 H new ATOM 0 HA ILE A 34 5.937 -2.042 1.446 1.00 0.00 H new ATOM 0 HB ILE A 34 7.944 -3.848 0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.440 -1.850 0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.056 -1.453 1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.660 -1.891 -1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.981 -2.348 -1.680 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.310 -0.943 -0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.602 -2.963 3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.039 -3.765 2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.445 -4.169 1.813 1.00 0.00 H new ATOM 539 N ILE A 35 4.068 -2.363 -0.117 1.00 0.00 N ATOM 540 CA ILE A 35 3.007 -2.445 -1.159 1.00 0.00 C ATOM 541 C ILE A 35 3.189 -1.324 -2.186 1.00 0.00 C ATOM 542 O ILE A 35 3.118 -0.152 -1.861 1.00 0.00 O ATOM 543 CB ILE A 35 1.693 -2.279 -0.391 1.00 0.00 C ATOM 544 CG1 ILE A 35 1.466 -3.511 0.488 1.00 0.00 C ATOM 545 CG2 ILE A 35 0.524 -2.129 -1.373 1.00 0.00 C ATOM 546 CD1 ILE A 35 0.296 -3.253 1.438 1.00 0.00 C ATOM 0 H ILE A 35 3.868 -1.727 0.655 1.00 0.00 H new ATOM 0 HA ILE A 35 3.035 -3.382 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 35 1.750 -1.385 0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.257 -4.381 -0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.368 -3.735 1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.406 -2.012 -0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.685 -1.252 -1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.461 -3.017 -2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.135 -4.131 2.064 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.523 -2.394 2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.605 -3.050 0.859 1.00 0.00 H new ATOM 558 N THR A 36 3.417 -1.677 -3.423 1.00 0.00 N ATOM 559 CA THR A 36 3.592 -0.637 -4.474 1.00 0.00 C ATOM 560 C THR A 36 2.250 0.043 -4.744 1.00 0.00 C ATOM 561 O THR A 36 1.541 -0.308 -5.666 1.00 0.00 O ATOM 562 CB THR A 36 4.072 -1.393 -5.715 1.00 0.00 C ATOM 563 OG1 THR A 36 5.283 -2.072 -5.414 1.00 0.00 O ATOM 564 CG2 THR A 36 4.310 -0.407 -6.862 1.00 0.00 C ATOM 0 H THR A 36 3.489 -2.641 -3.749 1.00 0.00 H new ATOM 0 HA THR A 36 4.300 0.139 -4.182 1.00 0.00 H new ATOM 0 HB THR A 36 3.312 -2.115 -6.014 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.591 -2.558 -6.207 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.652 -0.950 -7.743 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.380 0.113 -7.094 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.068 0.319 -6.567 1.00 0.00 H new ATOM 572 N ILE A 37 1.893 1.006 -3.933 1.00 0.00 N ATOM 573 CA ILE A 37 0.590 1.712 -4.124 1.00 0.00 C ATOM 574 C ILE A 37 0.420 2.129 -5.594 1.00 0.00 C ATOM 575 O ILE A 37 1.154 2.948 -6.111 1.00 0.00 O ATOM 576 CB ILE A 37 0.660 2.923 -3.172 1.00 0.00 C ATOM 577 CG1 ILE A 37 -0.307 2.693 -2.008 1.00 0.00 C ATOM 578 CG2 ILE A 37 0.281 4.221 -3.893 1.00 0.00 C ATOM 579 CD1 ILE A 37 -0.134 3.803 -0.969 1.00 0.00 C ATOM 0 H ILE A 37 2.450 1.335 -3.144 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.274 1.087 -3.898 1.00 0.00 H new ATOM 0 HB ILE A 37 1.683 3.021 -2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.334 2.679 -2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.118 1.721 -1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.340 5.056 -3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.969 4.391 -4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.736 4.140 -4.277 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.823 3.637 -0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.890 3.795 -0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.345 4.768 -1.429 1.00 0.00 H new ATOM 591 N THR A 38 -0.543 1.554 -6.263 1.00 0.00 N ATOM 592 CA THR A 38 -0.773 1.893 -7.696 1.00 0.00 C ATOM 593 C THR A 38 -1.765 3.055 -7.803 1.00 0.00 C ATOM 594 O THR A 38 -1.680 3.876 -8.694 1.00 0.00 O ATOM 595 CB THR A 38 -1.358 0.619 -8.313 1.00 0.00 C ATOM 596 OG1 THR A 38 -2.603 0.323 -7.695 1.00 0.00 O ATOM 597 CG2 THR A 38 -0.391 -0.547 -8.099 1.00 0.00 C ATOM 0 H THR A 38 -1.183 0.861 -5.876 1.00 0.00 H new ATOM 0 HA THR A 38 0.139 2.206 -8.205 1.00 0.00 H new ATOM 0 HB THR A 38 -1.509 0.771 -9.382 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.979 -0.491 -8.090 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.810 -1.452 -8.539 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.563 -0.320 -8.574 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.237 -0.700 -7.031 1.00 0.00 H new ATOM 605 N PHE A 39 -2.700 3.131 -6.893 1.00 0.00 N ATOM 606 CA PHE A 39 -3.694 4.241 -6.932 1.00 0.00 C ATOM 607 C PHE A 39 -4.436 4.334 -5.595 1.00 0.00 C ATOM 608 O PHE A 39 -5.478 3.738 -5.407 1.00 0.00 O ATOM 609 CB PHE A 39 -4.656 3.884 -8.072 1.00 0.00 C ATOM 610 CG PHE A 39 -5.941 4.684 -7.952 1.00 0.00 C ATOM 611 CD1 PHE A 39 -5.914 6.003 -7.473 1.00 0.00 C ATOM 612 CD2 PHE A 39 -7.161 4.101 -8.316 1.00 0.00 C ATOM 613 CE1 PHE A 39 -7.103 6.733 -7.359 1.00 0.00 C ATOM 614 CE2 PHE A 39 -8.349 4.832 -8.202 1.00 0.00 C ATOM 615 CZ PHE A 39 -8.321 6.147 -7.724 1.00 0.00 C ATOM 0 H PHE A 39 -2.817 2.471 -6.124 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.224 5.210 -7.097 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.182 4.087 -9.033 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.880 2.818 -8.046 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.974 6.455 -7.192 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.185 3.086 -8.685 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.081 7.748 -6.990 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.289 4.381 -8.483 1.00 0.00 H new ATOM 0 HZ PHE A 39 -9.239 6.710 -7.637 1.00 0.00 H new ATOM 625 N LYS A 40 -3.911 5.091 -4.676 1.00 0.00 N ATOM 626 CA LYS A 40 -4.585 5.245 -3.355 1.00 0.00 C ATOM 627 C LYS A 40 -5.863 6.082 -3.525 1.00 0.00 C ATOM 628 O LYS A 40 -6.632 5.865 -4.441 1.00 0.00 O ATOM 629 CB LYS A 40 -3.555 5.959 -2.476 1.00 0.00 C ATOM 630 CG LYS A 40 -3.191 7.312 -3.098 1.00 0.00 C ATOM 631 CD LYS A 40 -3.313 8.415 -2.043 1.00 0.00 C ATOM 632 CE LYS A 40 -1.954 9.095 -1.848 1.00 0.00 C ATOM 633 NZ LYS A 40 -1.743 9.898 -3.084 1.00 0.00 N ATOM 0 H LYS A 40 -3.041 5.613 -4.781 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.892 4.297 -2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.958 6.106 -1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.661 5.343 -2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.174 7.281 -3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.850 7.526 -3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.056 9.149 -2.354 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.658 7.992 -1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.954 9.729 -0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.160 8.360 -1.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.126 10.708 -2.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.296 9.304 -3.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.659 10.244 -3.434 1.00 0.00 H new ATOM 647 N ASP A 41 -6.101 7.037 -2.657 1.00 0.00 N ATOM 648 CA ASP A 41 -7.327 7.884 -2.778 1.00 0.00 C ATOM 649 C ASP A 41 -8.590 7.007 -2.787 1.00 0.00 C ATOM 650 O ASP A 41 -9.055 6.586 -1.749 1.00 0.00 O ATOM 651 CB ASP A 41 -7.164 8.651 -4.097 1.00 0.00 C ATOM 652 CG ASP A 41 -6.312 9.899 -3.860 1.00 0.00 C ATOM 653 OD1 ASP A 41 -6.534 10.562 -2.861 1.00 0.00 O ATOM 654 OD2 ASP A 41 -5.454 10.171 -4.683 1.00 0.00 O ATOM 0 H ASP A 41 -5.496 7.266 -1.868 1.00 0.00 H new ATOM 0 HA ASP A 41 -7.440 8.567 -1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.693 8.013 -4.845 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -8.141 8.934 -4.489 1.00 0.00 H new ATOM 659 N GLN A 42 -9.146 6.731 -3.944 1.00 0.00 N ATOM 660 CA GLN A 42 -10.382 5.887 -4.016 1.00 0.00 C ATOM 661 C GLN A 42 -11.506 6.515 -3.180 1.00 0.00 C ATOM 662 O GLN A 42 -12.394 7.160 -3.705 1.00 0.00 O ATOM 663 CB GLN A 42 -9.982 4.518 -3.451 1.00 0.00 C ATOM 664 CG GLN A 42 -9.664 3.559 -4.602 1.00 0.00 C ATOM 665 CD GLN A 42 -10.367 2.221 -4.366 1.00 0.00 C ATOM 666 OE1 GLN A 42 -10.672 1.871 -3.242 1.00 0.00 O ATOM 667 NE2 GLN A 42 -10.639 1.452 -5.384 1.00 0.00 N ATOM 0 H GLN A 42 -8.795 7.056 -4.845 1.00 0.00 H new ATOM 0 HA GLN A 42 -10.757 5.802 -5.036 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.114 4.622 -2.800 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.791 4.115 -2.841 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.990 3.990 -5.548 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.587 3.407 -4.675 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.384 1.745 -6.327 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.107 0.558 -5.237 1.00 0.00 H new ATOM 676 N GLU A 43 -11.470 6.335 -1.888 1.00 0.00 N ATOM 677 CA GLU A 43 -12.528 6.924 -1.015 1.00 0.00 C ATOM 678 C GLU A 43 -11.981 7.139 0.400 1.00 0.00 C ATOM 679 O GLU A 43 -12.707 7.087 1.374 1.00 0.00 O ATOM 680 CB GLU A 43 -13.661 5.895 -1.008 1.00 0.00 C ATOM 681 CG GLU A 43 -13.139 4.549 -0.500 1.00 0.00 C ATOM 682 CD GLU A 43 -14.275 3.525 -0.504 1.00 0.00 C ATOM 683 OE1 GLU A 43 -14.978 3.445 0.490 1.00 0.00 O ATOM 684 OE2 GLU A 43 -14.425 2.840 -1.502 1.00 0.00 O ATOM 0 H GLU A 43 -10.751 5.804 -1.397 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.869 7.895 -1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -14.476 6.242 -0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.067 5.782 -2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.321 4.203 -1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.739 4.659 0.508 1.00 0.00 H new ATOM 691 N ASN A 44 -10.701 7.380 0.515 1.00 0.00 N ATOM 692 CA ASN A 44 -10.084 7.603 1.860 1.00 0.00 C ATOM 693 C ASN A 44 -10.345 6.407 2.783 1.00 0.00 C ATOM 694 O ASN A 44 -10.258 6.517 3.990 1.00 0.00 O ATOM 695 CB ASN A 44 -10.757 8.864 2.412 1.00 0.00 C ATOM 696 CG ASN A 44 -9.694 9.919 2.726 1.00 0.00 C ATOM 697 OD1 ASN A 44 -8.723 10.051 2.009 1.00 0.00 O ATOM 698 ND2 ASN A 44 -9.838 10.679 3.776 1.00 0.00 N ATOM 0 H ASN A 44 -10.051 7.433 -0.269 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.002 7.715 1.793 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -11.469 9.256 1.686 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -11.321 8.622 3.313 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.135 11.385 3.995 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.654 10.568 4.378 1.00 0.00 H new ATOM 705 N LYS A 45 -10.665 5.267 2.228 1.00 0.00 N ATOM 706 CA LYS A 45 -10.928 4.072 3.085 1.00 0.00 C ATOM 707 C LYS A 45 -10.626 2.777 2.319 1.00 0.00 C ATOM 708 O LYS A 45 -11.012 1.702 2.736 1.00 0.00 O ATOM 709 CB LYS A 45 -12.416 4.155 3.431 1.00 0.00 C ATOM 710 CG LYS A 45 -12.609 3.933 4.935 1.00 0.00 C ATOM 711 CD LYS A 45 -13.023 5.247 5.600 1.00 0.00 C ATOM 712 CE LYS A 45 -14.549 5.357 5.604 1.00 0.00 C ATOM 713 NZ LYS A 45 -14.854 6.413 6.608 1.00 0.00 N ATOM 0 H LYS A 45 -10.755 5.112 1.224 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.298 4.061 3.974 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.812 5.129 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.973 3.405 2.868 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.371 3.172 5.105 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.685 3.564 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.642 5.286 6.621 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.588 6.091 5.065 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.928 5.627 4.619 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.013 4.409 5.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.884 6.547 6.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.487 6.125 7.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.405 7.306 6.320 1.00 0.00 H new ATOM 727 N TRP A 46 -9.941 2.868 1.209 1.00 0.00 N ATOM 728 CA TRP A 46 -9.618 1.640 0.424 1.00 0.00 C ATOM 729 C TRP A 46 -8.480 1.927 -0.558 1.00 0.00 C ATOM 730 O TRP A 46 -8.697 2.095 -1.743 1.00 0.00 O ATOM 731 CB TRP A 46 -10.904 1.302 -0.332 1.00 0.00 C ATOM 732 CG TRP A 46 -11.749 0.387 0.495 1.00 0.00 C ATOM 733 CD1 TRP A 46 -12.939 0.719 1.049 1.00 0.00 C ATOM 734 CD2 TRP A 46 -11.495 -0.998 0.871 1.00 0.00 C ATOM 735 NE1 TRP A 46 -13.430 -0.374 1.741 1.00 0.00 N ATOM 736 CE2 TRP A 46 -12.577 -1.455 1.660 1.00 0.00 C ATOM 737 CE3 TRP A 46 -10.443 -1.892 0.606 1.00 0.00 C ATOM 738 CZ2 TRP A 46 -12.612 -2.754 2.169 1.00 0.00 C ATOM 739 CZ3 TRP A 46 -10.476 -3.200 1.116 1.00 0.00 C ATOM 740 CH2 TRP A 46 -11.558 -3.630 1.897 1.00 0.00 C ATOM 0 H TRP A 46 -9.591 3.740 0.812 1.00 0.00 H new ATOM 0 HA TRP A 46 -9.291 0.817 1.060 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -11.454 2.215 -0.559 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -10.664 0.829 -1.284 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -13.425 1.680 0.965 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -14.315 -0.380 2.249 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.604 -1.571 0.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -13.448 -3.080 2.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -9.663 -3.879 0.905 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -11.577 -4.637 2.288 1.00 0.00 H new ATOM 751 N PHE A 47 -7.269 1.987 -0.073 1.00 0.00 N ATOM 752 CA PHE A 47 -6.113 2.266 -0.977 1.00 0.00 C ATOM 753 C PHE A 47 -5.960 1.147 -2.010 1.00 0.00 C ATOM 754 O PHE A 47 -6.305 0.007 -1.763 1.00 0.00 O ATOM 755 CB PHE A 47 -4.888 2.291 -0.063 1.00 0.00 C ATOM 756 CG PHE A 47 -4.547 3.710 0.322 1.00 0.00 C ATOM 757 CD1 PHE A 47 -5.542 4.571 0.797 1.00 0.00 C ATOM 758 CD2 PHE A 47 -3.225 4.159 0.214 1.00 0.00 C ATOM 759 CE1 PHE A 47 -5.217 5.882 1.164 1.00 0.00 C ATOM 760 CE2 PHE A 47 -2.898 5.469 0.584 1.00 0.00 C ATOM 761 CZ PHE A 47 -3.894 6.331 1.059 1.00 0.00 C ATOM 0 H PHE A 47 -7.029 1.855 0.910 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.245 3.200 -1.524 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.083 1.701 0.833 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.039 1.831 -0.569 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.561 4.224 0.881 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.458 3.495 -0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.986 6.547 1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.878 5.815 0.503 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.642 7.342 1.344 1.00 0.00 H new ATOM 771 N MET A 48 -5.422 1.461 -3.156 1.00 0.00 N ATOM 772 CA MET A 48 -5.216 0.417 -4.200 1.00 0.00 C ATOM 773 C MET A 48 -3.719 0.125 -4.323 1.00 0.00 C ATOM 774 O MET A 48 -2.949 0.967 -4.740 1.00 0.00 O ATOM 775 CB MET A 48 -5.759 1.026 -5.494 1.00 0.00 C ATOM 776 CG MET A 48 -6.362 -0.078 -6.363 1.00 0.00 C ATOM 777 SD MET A 48 -7.648 0.623 -7.425 1.00 0.00 S ATOM 778 CE MET A 48 -7.885 -0.829 -8.478 1.00 0.00 C ATOM 0 H MET A 48 -5.115 2.398 -3.416 1.00 0.00 H new ATOM 0 HA MET A 48 -5.718 -0.522 -3.966 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.515 1.777 -5.266 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.959 1.532 -6.034 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.585 -0.541 -6.972 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.783 -0.862 -5.733 1.00 0.00 H new ATOM 0 HE1 MET A 48 -8.652 -0.617 -9.223 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.948 -1.071 -8.980 1.00 0.00 H new ATOM 0 HE3 MET A 48 -8.198 -1.675 -7.866 1.00 0.00 H new ATOM 788 N GLY A 49 -3.296 -1.053 -3.949 1.00 0.00 N ATOM 789 CA GLY A 49 -1.844 -1.377 -4.030 1.00 0.00 C ATOM 790 C GLY A 49 -1.636 -2.691 -4.778 1.00 0.00 C ATOM 791 O GLY A 49 -2.545 -3.483 -4.934 1.00 0.00 O ATOM 0 H GLY A 49 -3.891 -1.801 -3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.313 -0.573 -4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.424 -1.451 -3.027 1.00 0.00 H new ATOM 795 N GLN A 50 -0.438 -2.924 -5.239 1.00 0.00 N ATOM 796 CA GLN A 50 -0.144 -4.179 -5.977 1.00 0.00 C ATOM 797 C GLN A 50 1.262 -4.668 -5.615 1.00 0.00 C ATOM 798 O GLN A 50 2.162 -3.882 -5.391 1.00 0.00 O ATOM 799 CB GLN A 50 -0.224 -3.782 -7.456 1.00 0.00 C ATOM 800 CG GLN A 50 0.373 -4.892 -8.326 1.00 0.00 C ATOM 801 CD GLN A 50 1.686 -4.408 -8.948 1.00 0.00 C ATOM 802 OE1 GLN A 50 1.679 -3.712 -9.944 1.00 0.00 O ATOM 803 NE2 GLN A 50 2.819 -4.751 -8.400 1.00 0.00 N ATOM 0 H GLN A 50 0.355 -2.291 -5.134 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.833 -4.989 -5.738 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.262 -3.605 -7.738 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.315 -2.849 -7.621 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.551 -5.783 -7.724 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.331 -5.172 -9.110 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.825 -5.335 -7.564 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.699 -4.435 -8.808 1.00 0.00 H new ATOM 812 N LEU A 51 1.460 -5.957 -5.560 1.00 0.00 N ATOM 813 CA LEU A 51 2.812 -6.490 -5.217 1.00 0.00 C ATOM 814 C LEU A 51 2.875 -7.997 -5.483 1.00 0.00 C ATOM 815 O LEU A 51 2.074 -8.540 -6.221 1.00 0.00 O ATOM 816 CB LEU A 51 3.021 -6.165 -3.726 1.00 0.00 C ATOM 817 CG LEU A 51 2.317 -7.196 -2.835 1.00 0.00 C ATOM 818 CD1 LEU A 51 2.428 -6.760 -1.374 1.00 0.00 C ATOM 819 CD2 LEU A 51 0.845 -7.286 -3.228 1.00 0.00 C ATOM 0 H LEU A 51 0.746 -6.664 -5.737 1.00 0.00 H new ATOM 0 HA LEU A 51 3.597 -6.042 -5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.087 -6.151 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.636 -5.169 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 51 2.787 -8.171 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.929 -7.490 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.479 -6.692 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.955 -5.786 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.344 -8.019 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.374 -6.312 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.765 -7.592 -4.271 1.00 0.00 H new ATOM 831 N ASN A 52 3.828 -8.668 -4.889 1.00 0.00 N ATOM 832 CA ASN A 52 3.973 -10.143 -5.094 1.00 0.00 C ATOM 833 C ASN A 52 2.610 -10.841 -5.114 1.00 0.00 C ATOM 834 O ASN A 52 2.002 -11.064 -4.085 1.00 0.00 O ATOM 835 CB ASN A 52 4.782 -10.623 -3.893 1.00 0.00 C ATOM 836 CG ASN A 52 6.270 -10.371 -4.141 1.00 0.00 C ATOM 837 OD1 ASN A 52 6.823 -10.844 -5.114 1.00 0.00 O ATOM 838 ND2 ASN A 52 6.946 -9.641 -3.297 1.00 0.00 N ATOM 0 H ASN A 52 4.520 -8.254 -4.264 1.00 0.00 H new ATOM 0 HA ASN A 52 4.451 -10.368 -6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.460 -10.100 -2.993 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.606 -11.685 -3.725 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.939 -9.467 -3.454 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.482 -9.244 -2.480 1.00 0.00 H new ATOM 845 N GLY A 53 2.133 -11.189 -6.275 1.00 0.00 N ATOM 846 CA GLY A 53 0.816 -11.876 -6.362 1.00 0.00 C ATOM 847 C GLY A 53 -0.091 -11.131 -7.340 1.00 0.00 C ATOM 848 O GLY A 53 -0.413 -11.630 -8.400 1.00 0.00 O ATOM 0 H GLY A 53 2.599 -11.027 -7.168 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.954 -12.906 -6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.350 -11.916 -5.377 1.00 0.00 H new ATOM 852 N LYS A 54 -0.514 -9.943 -6.993 1.00 0.00 N ATOM 853 CA LYS A 54 -1.411 -9.175 -7.915 1.00 0.00 C ATOM 854 C LYS A 54 -1.735 -7.790 -7.344 1.00 0.00 C ATOM 855 O LYS A 54 -1.045 -7.281 -6.483 1.00 0.00 O ATOM 856 CB LYS A 54 -2.689 -10.017 -8.014 1.00 0.00 C ATOM 857 CG LYS A 54 -2.862 -10.519 -9.450 1.00 0.00 C ATOM 858 CD LYS A 54 -3.853 -9.618 -10.192 1.00 0.00 C ATOM 859 CE LYS A 54 -4.292 -10.301 -11.489 1.00 0.00 C ATOM 860 NZ LYS A 54 -5.760 -10.063 -11.571 1.00 0.00 N ATOM 0 H LYS A 54 -0.281 -9.472 -6.119 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.942 -9.009 -8.885 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.635 -10.861 -7.327 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.553 -9.421 -7.719 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.901 -10.520 -9.964 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.223 -11.548 -9.446 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.720 -9.418 -9.563 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.391 -8.656 -10.414 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.775 -9.880 -12.351 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.065 -11.367 -11.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.135 -10.502 -12.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.226 -10.480 -10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.945 -9.040 -11.594 1.00 0.00 H new ATOM 874 N GLU A 55 -2.793 -7.186 -7.821 1.00 0.00 N ATOM 875 CA GLU A 55 -3.196 -5.838 -7.320 1.00 0.00 C ATOM 876 C GLU A 55 -4.589 -5.922 -6.689 1.00 0.00 C ATOM 877 O GLU A 55 -5.419 -6.703 -7.113 1.00 0.00 O ATOM 878 CB GLU A 55 -3.221 -4.937 -8.559 1.00 0.00 C ATOM 879 CG GLU A 55 -4.194 -5.506 -9.595 1.00 0.00 C ATOM 880 CD GLU A 55 -4.422 -4.476 -10.702 1.00 0.00 C ATOM 881 OE1 GLU A 55 -3.448 -3.899 -11.156 1.00 0.00 O ATOM 882 OE2 GLU A 55 -5.567 -4.280 -11.077 1.00 0.00 O ATOM 0 H GLU A 55 -3.400 -7.573 -8.543 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.515 -5.455 -6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.522 -3.927 -8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.221 -4.864 -8.987 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.793 -6.427 -10.018 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.141 -5.759 -9.119 1.00 0.00 H new ATOM 889 N GLY A 56 -4.856 -5.134 -5.681 1.00 0.00 N ATOM 890 CA GLY A 56 -6.200 -5.191 -5.038 1.00 0.00 C ATOM 891 C GLY A 56 -6.431 -3.948 -4.178 1.00 0.00 C ATOM 892 O GLY A 56 -5.987 -2.863 -4.501 1.00 0.00 O ATOM 0 H GLY A 56 -4.207 -4.458 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.974 -5.261 -5.803 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.278 -6.087 -4.422 1.00 0.00 H new ATOM 896 N SER A 57 -7.141 -4.100 -3.090 1.00 0.00 N ATOM 897 CA SER A 57 -7.425 -2.928 -2.212 1.00 0.00 C ATOM 898 C SER A 57 -7.217 -3.280 -0.736 1.00 0.00 C ATOM 899 O SER A 57 -7.001 -4.421 -0.379 1.00 0.00 O ATOM 900 CB SER A 57 -8.894 -2.608 -2.467 1.00 0.00 C ATOM 901 OG SER A 57 -9.102 -2.429 -3.862 1.00 0.00 O ATOM 0 H SER A 57 -7.536 -4.985 -2.772 1.00 0.00 H new ATOM 0 HA SER A 57 -6.762 -2.090 -2.428 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.524 -3.416 -2.095 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.180 -1.706 -1.926 1.00 0.00 H new ATOM 0 HG SER A 57 -10.046 -2.225 -4.028 1.00 0.00 H new ATOM 907 N PHE A 58 -7.300 -2.296 0.123 1.00 0.00 N ATOM 908 CA PHE A 58 -7.130 -2.542 1.587 1.00 0.00 C ATOM 909 C PHE A 58 -7.378 -1.241 2.361 1.00 0.00 C ATOM 910 O PHE A 58 -7.415 -0.175 1.776 1.00 0.00 O ATOM 911 CB PHE A 58 -5.686 -3.029 1.779 1.00 0.00 C ATOM 912 CG PHE A 58 -4.747 -2.255 0.900 1.00 0.00 C ATOM 913 CD1 PHE A 58 -4.329 -0.978 1.282 1.00 0.00 C ATOM 914 CD2 PHE A 58 -4.286 -2.821 -0.291 1.00 0.00 C ATOM 915 CE1 PHE A 58 -3.447 -0.266 0.471 1.00 0.00 C ATOM 916 CE2 PHE A 58 -3.405 -2.108 -1.104 1.00 0.00 C ATOM 917 CZ PHE A 58 -2.986 -0.831 -0.721 1.00 0.00 C ATOM 0 H PHE A 58 -7.480 -1.324 -0.130 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.838 -3.283 1.960 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.393 -2.915 2.823 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.620 -4.091 1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.688 -0.544 2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.611 -3.809 -0.582 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.120 0.721 0.763 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.048 -2.541 -2.026 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.303 -0.278 -1.349 1.00 0.00 H new ATOM 927 N PRO A 59 -7.550 -1.364 3.654 1.00 0.00 N ATOM 928 CA PRO A 59 -7.809 -0.172 4.501 1.00 0.00 C ATOM 929 C PRO A 59 -6.583 0.751 4.549 1.00 0.00 C ATOM 930 O PRO A 59 -5.455 0.308 4.622 1.00 0.00 O ATOM 931 CB PRO A 59 -8.142 -0.766 5.871 1.00 0.00 C ATOM 932 CG PRO A 59 -7.516 -2.125 5.873 1.00 0.00 C ATOM 933 CD PRO A 59 -7.517 -2.603 4.443 1.00 0.00 C ATOM 0 HA PRO A 59 -8.614 0.457 4.121 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.743 -0.148 6.675 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -9.220 -0.829 6.021 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.500 -2.083 6.267 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -8.077 -2.809 6.510 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.630 -3.195 4.219 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -8.382 -3.233 4.233 1.00 0.00 H new ATOM 941 N VAL A 60 -6.811 2.039 4.491 1.00 0.00 N ATOM 942 CA VAL A 60 -5.682 3.022 4.515 1.00 0.00 C ATOM 943 C VAL A 60 -4.731 2.741 5.685 1.00 0.00 C ATOM 944 O VAL A 60 -3.526 2.729 5.527 1.00 0.00 O ATOM 945 CB VAL A 60 -6.349 4.390 4.692 1.00 0.00 C ATOM 946 CG1 VAL A 60 -5.282 5.486 4.673 1.00 0.00 C ATOM 947 CG2 VAL A 60 -7.346 4.631 3.552 1.00 0.00 C ATOM 0 H VAL A 60 -7.740 2.456 4.427 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.082 2.966 3.607 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.877 4.411 5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.757 6.459 4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.575 5.320 5.486 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.752 5.462 3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.818 5.605 3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.820 4.607 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.109 3.853 3.566 1.00 0.00 H new ATOM 957 N ASP A 61 -5.264 2.523 6.857 1.00 0.00 N ATOM 958 CA ASP A 61 -4.390 2.252 8.040 1.00 0.00 C ATOM 959 C ASP A 61 -3.617 0.940 7.859 1.00 0.00 C ATOM 960 O ASP A 61 -2.718 0.634 8.619 1.00 0.00 O ATOM 961 CB ASP A 61 -5.351 2.145 9.226 1.00 0.00 C ATOM 962 CG ASP A 61 -4.553 2.152 10.531 1.00 0.00 C ATOM 963 OD1 ASP A 61 -3.748 3.052 10.705 1.00 0.00 O ATOM 964 OD2 ASP A 61 -4.760 1.258 11.333 1.00 0.00 O ATOM 0 H ASP A 61 -6.266 2.520 7.049 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.645 3.035 8.181 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.055 2.977 9.213 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.938 1.229 9.151 1.00 0.00 H new ATOM 969 N HIS A 62 -3.959 0.160 6.867 1.00 0.00 N ATOM 970 CA HIS A 62 -3.244 -1.132 6.650 1.00 0.00 C ATOM 971 C HIS A 62 -1.881 -0.904 6.004 1.00 0.00 C ATOM 972 O HIS A 62 -1.089 -1.818 5.879 1.00 0.00 O ATOM 973 CB HIS A 62 -4.137 -1.922 5.697 1.00 0.00 C ATOM 974 CG HIS A 62 -4.179 -3.357 6.129 1.00 0.00 C ATOM 975 ND1 HIS A 62 -3.053 -4.020 6.567 1.00 0.00 N ATOM 976 CD2 HIS A 62 -5.201 -4.266 6.208 1.00 0.00 C ATOM 977 CE1 HIS A 62 -3.423 -5.269 6.892 1.00 0.00 C ATOM 978 NE2 HIS A 62 -4.721 -5.472 6.693 1.00 0.00 N ATOM 0 H HIS A 62 -4.702 0.362 6.198 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.066 -1.651 7.592 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -5.143 -1.503 5.692 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.756 -1.848 4.678 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -2.112 -3.633 6.632 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.227 -4.072 5.933 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.746 -6.020 7.271 1.00 0.00 H new ATOM 986 N VAL A 63 -1.599 0.293 5.572 1.00 0.00 N ATOM 987 CA VAL A 63 -0.288 0.538 4.919 1.00 0.00 C ATOM 988 C VAL A 63 0.261 1.916 5.285 1.00 0.00 C ATOM 989 O VAL A 63 -0.444 2.906 5.260 1.00 0.00 O ATOM 990 CB VAL A 63 -0.579 0.467 3.416 1.00 0.00 C ATOM 991 CG1 VAL A 63 -1.216 -0.882 3.075 1.00 0.00 C ATOM 992 CG2 VAL A 63 -1.542 1.591 3.024 1.00 0.00 C ATOM 0 H VAL A 63 -2.214 1.104 5.643 1.00 0.00 H new ATOM 0 HA VAL A 63 0.461 -0.187 5.236 1.00 0.00 H new ATOM 0 HB VAL A 63 0.356 0.578 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.421 -0.928 2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.533 -1.686 3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.148 -0.994 3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.747 1.538 1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.474 1.481 3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.091 2.555 3.260 1.00 0.00 H new ATOM 1002 N GLU A 64 1.525 1.987 5.590 1.00 0.00 N ATOM 1003 CA GLU A 64 2.136 3.304 5.916 1.00 0.00 C ATOM 1004 C GLU A 64 2.701 3.887 4.622 1.00 0.00 C ATOM 1005 O GLU A 64 3.290 3.183 3.826 1.00 0.00 O ATOM 1006 CB GLU A 64 3.253 3.005 6.916 1.00 0.00 C ATOM 1007 CG GLU A 64 3.998 4.302 7.245 1.00 0.00 C ATOM 1008 CD GLU A 64 4.218 4.399 8.756 1.00 0.00 C ATOM 1009 OE1 GLU A 64 4.980 3.600 9.277 1.00 0.00 O ATOM 1010 OE2 GLU A 64 3.621 5.270 9.367 1.00 0.00 O ATOM 0 H GLU A 64 2.161 1.191 5.628 1.00 0.00 H new ATOM 0 HA GLU A 64 1.430 4.019 6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.837 2.571 7.825 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.943 2.271 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.956 4.325 6.726 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.425 5.161 6.895 1.00 0.00 H new ATOM 1017 N ILE A 65 2.494 5.150 4.382 1.00 0.00 N ATOM 1018 CA ILE A 65 2.985 5.748 3.105 1.00 0.00 C ATOM 1019 C ILE A 65 4.449 6.172 3.210 1.00 0.00 C ATOM 1020 O ILE A 65 4.849 6.862 4.126 1.00 0.00 O ATOM 1021 CB ILE A 65 2.092 6.968 2.849 1.00 0.00 C ATOM 1022 CG1 ILE A 65 0.624 6.648 3.189 1.00 0.00 C ATOM 1023 CG2 ILE A 65 2.191 7.357 1.374 1.00 0.00 C ATOM 1024 CD1 ILE A 65 0.265 5.235 2.715 1.00 0.00 C ATOM 0 H ILE A 65 2.010 5.793 5.008 1.00 0.00 H new ATOM 0 HA ILE A 65 2.934 5.025 2.291 1.00 0.00 H new ATOM 0 HB ILE A 65 2.427 7.789 3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.466 6.729 4.264 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.034 7.376 2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.559 8.224 1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.225 7.601 1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.860 6.523 0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.775 5.022 2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.403 5.167 1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.911 4.510 3.210 1.00 0.00 H new ATOM 1036 N LEU A 66 5.243 5.768 2.256 1.00 0.00 N ATOM 1037 CA LEU A 66 6.683 6.146 2.262 1.00 0.00 C ATOM 1038 C LEU A 66 6.925 7.239 1.219 1.00 0.00 C ATOM 1039 O LEU A 66 6.871 6.998 0.027 1.00 0.00 O ATOM 1040 CB LEU A 66 7.431 4.867 1.887 1.00 0.00 C ATOM 1041 CG LEU A 66 7.156 3.790 2.938 1.00 0.00 C ATOM 1042 CD1 LEU A 66 7.592 2.428 2.398 1.00 0.00 C ATOM 1043 CD2 LEU A 66 7.943 4.109 4.211 1.00 0.00 C ATOM 0 H LEU A 66 4.953 5.189 1.468 1.00 0.00 H new ATOM 0 HA LEU A 66 7.014 6.535 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.112 4.521 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.501 5.064 1.824 1.00 0.00 H new ATOM 0 HG LEU A 66 6.090 3.767 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.396 1.660 3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.033 2.201 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.658 2.451 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.748 3.342 4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.009 4.132 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.633 5.081 4.596 1.00 0.00 H new ATOM 1055 N LEU A 67 7.182 8.441 1.661 1.00 0.00 N ATOM 1056 CA LEU A 67 7.421 9.557 0.700 1.00 0.00 C ATOM 1057 C LEU A 67 8.911 9.651 0.345 1.00 0.00 C ATOM 1058 O LEU A 67 9.322 10.510 -0.411 1.00 0.00 O ATOM 1059 CB LEU A 67 6.968 10.819 1.438 1.00 0.00 C ATOM 1060 CG LEU A 67 5.665 11.333 0.823 1.00 0.00 C ATOM 1061 CD1 LEU A 67 4.474 10.769 1.599 1.00 0.00 C ATOM 1062 CD2 LEU A 67 5.639 12.862 0.891 1.00 0.00 C ATOM 0 H LEU A 67 7.237 8.699 2.646 1.00 0.00 H new ATOM 0 HA LEU A 67 6.882 9.413 -0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.822 10.601 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.740 11.586 1.375 1.00 0.00 H new ATOM 0 HG LEU A 67 5.604 11.012 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.547 11.136 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.492 9.680 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.534 11.088 2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.711 13.230 0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.701 13.181 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.487 13.265 0.337 1.00 0.00 H new ATOM 1074 N SER A 68 9.725 8.781 0.887 1.00 0.00 N ATOM 1075 CA SER A 68 11.189 8.827 0.584 1.00 0.00 C ATOM 1076 C SER A 68 11.468 8.330 -0.841 1.00 0.00 C ATOM 1077 O SER A 68 12.256 7.429 -1.044 1.00 0.00 O ATOM 1078 CB SER A 68 11.833 7.895 1.610 1.00 0.00 C ATOM 1079 OG SER A 68 13.097 8.422 1.993 1.00 0.00 O ATOM 0 H SER A 68 9.439 8.040 1.527 1.00 0.00 H new ATOM 0 HA SER A 68 11.584 9.841 0.641 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.188 7.795 2.483 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.955 6.898 1.187 1.00 0.00 H new ATOM 0 HG SER A 68 13.513 7.828 2.652 1.00 0.00 H new ATOM 1085 N ASP A 69 10.830 8.916 -1.825 1.00 0.00 N ATOM 1086 CA ASP A 69 11.049 8.493 -3.244 1.00 0.00 C ATOM 1087 C ASP A 69 10.717 7.006 -3.426 1.00 0.00 C ATOM 1088 O ASP A 69 9.661 6.656 -3.915 1.00 0.00 O ATOM 1089 CB ASP A 69 12.532 8.767 -3.529 1.00 0.00 C ATOM 1090 CG ASP A 69 12.865 8.347 -4.962 1.00 0.00 C ATOM 1091 OD1 ASP A 69 12.087 8.662 -5.848 1.00 0.00 O ATOM 1092 OD2 ASP A 69 13.891 7.714 -5.148 1.00 0.00 O ATOM 0 H ASP A 69 10.161 9.676 -1.704 1.00 0.00 H new ATOM 0 HA ASP A 69 10.403 9.037 -3.933 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.750 9.826 -3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 69 13.156 8.218 -2.824 1.00 0.00 H new ATOM 1097 N VAL A 70 11.606 6.131 -3.041 1.00 0.00 N ATOM 1098 CA VAL A 70 11.337 4.672 -3.197 1.00 0.00 C ATOM 1099 C VAL A 70 11.384 3.972 -1.831 1.00 0.00 C ATOM 1100 O VAL A 70 12.195 4.313 -0.993 1.00 0.00 O ATOM 1101 CB VAL A 70 12.455 4.156 -4.105 1.00 0.00 C ATOM 1102 CG1 VAL A 70 12.291 2.650 -4.317 1.00 0.00 C ATOM 1103 CG2 VAL A 70 12.384 4.868 -5.458 1.00 0.00 C ATOM 0 H VAL A 70 12.508 6.363 -2.625 1.00 0.00 H new ATOM 0 HA VAL A 70 10.350 4.478 -3.617 1.00 0.00 H new ATOM 0 HB VAL A 70 13.419 4.355 -3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 70 13.088 2.285 -4.964 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.342 2.140 -3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 70 11.326 2.451 -4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 70 13.181 4.500 -6.105 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.418 4.670 -5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.502 5.942 -5.311 1.00 0.00 H new ATOM 1113 N PRO A 71 10.509 3.012 -1.651 1.00 0.00 N ATOM 1114 CA PRO A 71 10.459 2.263 -0.372 1.00 0.00 C ATOM 1115 C PRO A 71 11.620 1.261 -0.293 1.00 0.00 C ATOM 1116 O PRO A 71 12.057 0.747 -1.303 1.00 0.00 O ATOM 1117 CB PRO A 71 9.124 1.528 -0.439 1.00 0.00 C ATOM 1118 CG PRO A 71 8.826 1.391 -1.898 1.00 0.00 C ATOM 1119 CD PRO A 71 9.495 2.541 -2.605 1.00 0.00 C ATOM 0 HA PRO A 71 10.546 2.907 0.503 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.187 0.553 0.044 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.340 2.087 0.072 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.197 0.439 -2.278 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.750 1.406 -2.073 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.949 2.222 -3.543 1.00 0.00 H new ATOM 0 HD3 PRO A 71 8.781 3.328 -2.848 1.00 0.00 H new ATOM 1127 N PRO A 72 12.078 1.011 0.908 1.00 0.00 N ATOM 1128 CA PRO A 72 13.193 0.053 1.106 1.00 0.00 C ATOM 1129 C PRO A 72 12.692 -1.386 0.921 1.00 0.00 C ATOM 1130 O PRO A 72 11.600 -1.713 1.338 1.00 0.00 O ATOM 1131 CB PRO A 72 13.623 0.296 2.550 1.00 0.00 C ATOM 1132 CG PRO A 72 12.414 0.858 3.227 1.00 0.00 C ATOM 1133 CD PRO A 72 11.612 1.585 2.178 1.00 0.00 C ATOM 0 HA PRO A 72 14.009 0.189 0.397 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.947 -0.630 3.026 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.462 0.991 2.600 1.00 0.00 H new ATOM 0 HG2 PRO A 72 11.823 0.063 3.680 1.00 0.00 H new ATOM 0 HG3 PRO A 72 12.703 1.537 4.029 1.00 0.00 H new ATOM 0 HD2 PRO A 72 10.542 1.430 2.316 1.00 0.00 H new ATOM 0 HD3 PRO A 72 11.786 2.660 2.217 1.00 0.00 H new ATOM 1141 N PRO A 73 13.506 -2.203 0.300 1.00 0.00 N ATOM 1142 CA PRO A 73 13.120 -3.617 0.065 1.00 0.00 C ATOM 1143 C PRO A 73 13.162 -4.410 1.375 1.00 0.00 C ATOM 1144 O PRO A 73 14.219 -4.702 1.900 1.00 0.00 O ATOM 1145 CB PRO A 73 14.181 -4.122 -0.909 1.00 0.00 C ATOM 1146 CG PRO A 73 15.366 -3.239 -0.683 1.00 0.00 C ATOM 1147 CD PRO A 73 14.841 -1.901 -0.235 1.00 0.00 C ATOM 0 HA PRO A 73 12.107 -3.724 -0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.426 -5.167 -0.719 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.833 -4.059 -1.940 1.00 0.00 H new ATOM 0 HG2 PRO A 73 16.026 -3.666 0.072 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.951 -3.137 -1.597 1.00 0.00 H new ATOM 0 HD2 PRO A 73 15.483 -1.454 0.524 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.788 -1.195 -1.064 1.00 0.00 H new ATOM 1155 N GLN A 74 12.020 -4.761 1.905 1.00 0.00 N ATOM 1156 CA GLN A 74 11.997 -5.538 3.179 1.00 0.00 C ATOM 1157 C GLN A 74 12.544 -6.957 2.949 1.00 0.00 C ATOM 1158 O GLN A 74 13.435 -7.386 3.655 1.00 0.00 O ATOM 1159 CB GLN A 74 10.523 -5.563 3.609 1.00 0.00 C ATOM 1160 CG GLN A 74 10.294 -6.649 4.669 1.00 0.00 C ATOM 1161 CD GLN A 74 9.527 -7.820 4.050 1.00 0.00 C ATOM 1162 OE1 GLN A 74 8.503 -7.580 3.277 1.00 0.00 O flip ATOM 1163 NE2 GLN A 74 9.864 -8.966 4.273 1.00 0.00 N flip ATOM 0 H GLN A 74 11.104 -4.544 1.512 1.00 0.00 H new ATOM 0 HA GLN A 74 12.625 -5.092 3.950 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.237 -4.590 4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 74 9.888 -5.751 2.743 1.00 0.00 H new ATOM 0 HG2 GLN A 74 11.250 -6.995 5.062 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.734 -6.238 5.509 1.00 0.00 H new ATOM 0 HE21 GLN A 74 10.664 -9.154 4.877 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.347 -9.740 3.856 1.00 0.00 H new