USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 444 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 12 TYR OH : rot 165:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc=0.000411 USER MOD Single : A 16 CYS SG : rot -49:sc= -3.3 USER MOD Single : A 17 LYS NZ :NH3+ -127:sc= -0.0149 (180deg=-2.18!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.374 USER MOD Single : A 35 HIS : no HD1:sc= -3.49! X(o=-3.5!,f=-3.4) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -10.8! C(o=-11!,f=-27!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD ----------------------------------------------------------------- ATOM 137 N TYR A 12 3.939 -1.501 -11.048 1.00 0.00 N ATOM 138 CA TYR A 12 4.615 -0.788 -9.970 1.00 0.00 C ATOM 139 C TYR A 12 5.768 0.052 -10.512 1.00 0.00 C ATOM 140 O TYR A 12 6.375 -0.266 -11.535 1.00 0.00 O ATOM 141 CB TYR A 12 5.136 -1.775 -8.925 1.00 0.00 C ATOM 142 CG TYR A 12 4.062 -2.670 -8.349 1.00 0.00 C ATOM 143 CD1 TYR A 12 2.728 -2.285 -8.364 1.00 0.00 C ATOM 144 CD2 TYR A 12 4.383 -3.901 -7.790 1.00 0.00 C ATOM 145 CE1 TYR A 12 1.743 -3.099 -7.837 1.00 0.00 C ATOM 146 CE2 TYR A 12 3.405 -4.722 -7.262 1.00 0.00 C ATOM 147 CZ TYR A 12 2.087 -4.317 -7.288 1.00 0.00 C ATOM 148 OH TYR A 12 1.109 -5.131 -6.764 1.00 0.00 O ATOM 0 HA TYR A 12 3.892 -0.121 -9.501 1.00 0.00 H new ATOM 0 HB2 TYR A 12 5.910 -2.395 -9.377 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.607 -1.218 -8.115 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.455 -1.333 -8.795 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.414 -4.221 -7.768 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.710 -2.783 -7.855 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.671 -5.676 -6.831 1.00 0.00 H new ATOM 0 HH TYR A 12 1.468 -6.034 -6.639 1.00 0.00 H new ATOM 158 N PRO A 13 6.078 1.152 -9.810 1.00 0.00 N ATOM 159 CA PRO A 13 5.362 1.541 -8.591 1.00 0.00 C ATOM 160 C PRO A 13 3.939 2.007 -8.878 1.00 0.00 C ATOM 161 O PRO A 13 3.637 2.470 -9.979 1.00 0.00 O ATOM 162 CB PRO A 13 6.202 2.696 -8.040 1.00 0.00 C ATOM 163 CG PRO A 13 6.896 3.262 -9.230 1.00 0.00 C ATOM 164 CD PRO A 13 7.151 2.101 -10.151 1.00 0.00 C ATOM 0 HA PRO A 13 5.253 0.706 -7.898 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.576 3.444 -7.554 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.916 2.346 -7.295 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.281 4.019 -9.717 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.830 3.746 -8.944 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.104 2.401 -11.198 1.00 0.00 H new ATOM 0 HD3 PRO A 13 8.138 1.668 -9.987 1.00 0.00 H new ATOM 172 N LEU A 14 3.068 1.883 -7.883 1.00 0.00 N ATOM 173 CA LEU A 14 1.676 2.292 -8.029 1.00 0.00 C ATOM 174 C LEU A 14 1.212 3.087 -6.812 1.00 0.00 C ATOM 175 O LEU A 14 1.053 2.538 -5.721 1.00 0.00 O ATOM 176 CB LEU A 14 0.781 1.067 -8.223 1.00 0.00 C ATOM 177 CG LEU A 14 0.667 0.539 -9.653 1.00 0.00 C ATOM 178 CD1 LEU A 14 -0.204 -0.707 -9.695 1.00 0.00 C ATOM 179 CD2 LEU A 14 0.108 1.613 -10.575 1.00 0.00 C ATOM 0 H LEU A 14 3.301 1.502 -6.966 1.00 0.00 H new ATOM 0 HA LEU A 14 1.601 2.931 -8.909 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.156 0.264 -7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.219 1.313 -7.867 1.00 0.00 H new ATOM 0 HG LEU A 14 1.665 0.272 -10.001 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.273 -1.068 -10.721 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.237 -1.481 -9.067 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.201 -0.466 -9.327 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.034 1.220 -11.589 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.881 1.911 -10.228 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.771 2.478 -10.569 1.00 0.00 H new ATOM 191 N THR A 15 0.993 4.384 -7.007 1.00 0.00 N ATOM 192 CA THR A 15 0.546 5.255 -5.928 1.00 0.00 C ATOM 193 C THR A 15 -0.881 4.922 -5.508 1.00 0.00 C ATOM 194 O THR A 15 -1.782 4.846 -6.345 1.00 0.00 O ATOM 195 CB THR A 15 0.617 6.738 -6.336 1.00 0.00 C ATOM 196 OG1 THR A 15 1.778 6.970 -7.142 1.00 0.00 O ATOM 197 CG2 THR A 15 0.657 7.636 -5.109 1.00 0.00 C ATOM 0 H THR A 15 1.118 4.854 -7.903 1.00 0.00 H new ATOM 0 HA THR A 15 1.218 5.086 -5.087 1.00 0.00 H new ATOM 0 HB THR A 15 -0.277 6.976 -6.912 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.815 7.915 -7.398 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.707 8.679 -5.423 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.242 7.479 -4.514 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.535 7.395 -4.510 1.00 0.00 H new ATOM 205 N CYS A 16 -1.081 4.725 -4.210 1.00 0.00 N ATOM 206 CA CYS A 16 -2.400 4.401 -3.679 1.00 0.00 C ATOM 207 C CYS A 16 -2.824 5.413 -2.620 1.00 0.00 C ATOM 208 O CYS A 16 -1.991 6.115 -2.048 1.00 0.00 O ATOM 209 CB CYS A 16 -2.401 2.992 -3.085 1.00 0.00 C ATOM 210 SG CYS A 16 -1.014 2.658 -1.974 1.00 0.00 S ATOM 0 H CYS A 16 -0.346 4.784 -3.505 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.115 4.442 -4.501 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.333 2.839 -2.541 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.384 2.266 -3.898 1.00 0.00 H new ATOM 0 HG CYS A 16 0.096 3.019 -2.546 1.00 0.00 H new ATOM 216 N LYS A 17 -4.127 5.484 -2.365 1.00 0.00 N ATOM 217 CA LYS A 17 -4.664 6.410 -1.376 1.00 0.00 C ATOM 218 C LYS A 17 -5.370 5.657 -0.253 1.00 0.00 C ATOM 219 O LYS A 17 -6.432 5.068 -0.459 1.00 0.00 O ATOM 220 CB LYS A 17 -5.636 7.389 -2.038 1.00 0.00 C ATOM 221 CG LYS A 17 -6.431 8.220 -1.047 1.00 0.00 C ATOM 222 CD LYS A 17 -5.643 9.430 -0.574 1.00 0.00 C ATOM 223 CE LYS A 17 -5.861 10.629 -1.484 1.00 0.00 C ATOM 224 NZ LYS A 17 -5.149 11.839 -0.989 1.00 0.00 N ATOM 0 H LYS A 17 -4.830 4.910 -2.831 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.831 6.968 -0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.076 8.057 -2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.328 6.831 -2.669 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.361 8.549 -1.511 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.703 7.604 -0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.942 9.685 0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.582 9.184 -0.542 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.514 10.390 -2.489 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.928 10.840 -1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.819 12.631 -0.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.742 11.643 -0.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.388 12.089 -1.652 1.00 0.00 H new ATOM 238 N VAL A 18 -4.775 5.681 0.935 1.00 0.00 N ATOM 239 CA VAL A 18 -5.349 5.003 2.092 1.00 0.00 C ATOM 240 C VAL A 18 -6.718 5.574 2.440 1.00 0.00 C ATOM 241 O VAL A 18 -6.823 6.660 3.011 1.00 0.00 O ATOM 242 CB VAL A 18 -4.429 5.116 3.322 1.00 0.00 C ATOM 243 CG1 VAL A 18 -5.062 4.435 4.526 1.00 0.00 C ATOM 244 CG2 VAL A 18 -3.062 4.522 3.021 1.00 0.00 C ATOM 0 H VAL A 18 -3.896 6.163 1.122 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.455 3.952 1.823 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.296 6.172 3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.398 4.525 5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.016 4.911 4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.226 3.381 4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.425 4.610 3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.172 3.470 2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.607 5.059 2.189 1.00 0.00 H new ATOM 254 N VAL A 19 -7.768 4.835 2.093 1.00 0.00 N ATOM 255 CA VAL A 19 -9.132 5.268 2.371 1.00 0.00 C ATOM 256 C VAL A 19 -9.596 4.778 3.738 1.00 0.00 C ATOM 257 O VAL A 19 -10.442 5.403 4.378 1.00 0.00 O ATOM 258 CB VAL A 19 -10.112 4.759 1.296 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.087 5.668 0.077 1.00 0.00 C ATOM 260 CG2 VAL A 19 -9.780 3.326 0.909 1.00 0.00 C ATOM 0 H VAL A 19 -7.700 3.934 1.619 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.127 6.358 2.361 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.120 4.775 1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.785 5.293 -0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.377 6.677 0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.081 5.687 -0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.482 2.982 0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.766 3.282 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.854 2.685 1.788 1.00 0.00 H new ATOM 270 N TYR A 20 -9.037 3.657 4.180 1.00 0.00 N ATOM 271 CA TYR A 20 -9.395 3.082 5.471 1.00 0.00 C ATOM 272 C TYR A 20 -8.185 3.030 6.399 1.00 0.00 C ATOM 273 O TYR A 20 -7.161 2.433 6.068 1.00 0.00 O ATOM 274 CB TYR A 20 -9.970 1.677 5.286 1.00 0.00 C ATOM 275 CG TYR A 20 -11.440 1.667 4.930 1.00 0.00 C ATOM 276 CD1 TYR A 20 -11.904 2.317 3.793 1.00 0.00 C ATOM 277 CD2 TYR A 20 -12.364 1.005 5.729 1.00 0.00 C ATOM 278 CE1 TYR A 20 -13.246 2.310 3.464 1.00 0.00 C ATOM 279 CE2 TYR A 20 -13.707 0.992 5.408 1.00 0.00 C ATOM 280 CZ TYR A 20 -14.143 1.646 4.275 1.00 0.00 C ATOM 281 OH TYR A 20 -15.480 1.636 3.950 1.00 0.00 O ATOM 0 H TYR A 20 -8.334 3.128 3.663 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.152 3.720 5.926 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.411 1.165 4.502 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -9.823 1.109 6.205 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.204 2.837 3.156 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.026 0.491 6.617 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.591 2.821 2.577 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.412 0.473 6.041 1.00 0.00 H new ATOM 0 HH TYR A 20 -15.976 1.124 4.622 1.00 0.00 H new ATOM 291 N SER A 21 -8.311 3.661 7.562 1.00 0.00 N ATOM 292 CA SER A 21 -7.228 3.690 8.537 1.00 0.00 C ATOM 293 C SER A 21 -6.979 2.300 9.115 1.00 0.00 C ATOM 294 O SER A 21 -7.915 1.533 9.341 1.00 0.00 O ATOM 295 CB SER A 21 -7.554 4.672 9.664 1.00 0.00 C ATOM 296 OG SER A 21 -8.415 4.081 10.622 1.00 0.00 O ATOM 0 H SER A 21 -9.153 4.159 7.852 1.00 0.00 H new ATOM 0 HA SER A 21 -6.323 4.020 8.027 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.632 4.994 10.148 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.024 5.564 9.249 1.00 0.00 H new ATOM 0 HG SER A 21 -8.607 4.728 11.333 1.00 0.00 H new ATOM 302 N TYR A 22 -5.711 1.983 9.350 1.00 0.00 N ATOM 303 CA TYR A 22 -5.337 0.684 9.899 1.00 0.00 C ATOM 304 C TYR A 22 -4.111 0.806 10.799 1.00 0.00 C ATOM 305 O TYR A 22 -3.057 1.277 10.373 1.00 0.00 O ATOM 306 CB TYR A 22 -5.057 -0.308 8.769 1.00 0.00 C ATOM 307 CG TYR A 22 -4.822 -1.722 9.250 1.00 0.00 C ATOM 308 CD1 TYR A 22 -5.875 -2.506 9.706 1.00 0.00 C ATOM 309 CD2 TYR A 22 -3.548 -2.275 9.248 1.00 0.00 C ATOM 310 CE1 TYR A 22 -5.665 -3.798 10.147 1.00 0.00 C ATOM 311 CE2 TYR A 22 -3.329 -3.567 9.686 1.00 0.00 C ATOM 312 CZ TYR A 22 -4.390 -4.324 10.135 1.00 0.00 C ATOM 313 OH TYR A 22 -4.177 -5.612 10.572 1.00 0.00 O ATOM 0 H TYR A 22 -4.925 2.607 9.169 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.170 0.317 10.498 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.898 -0.304 8.076 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.183 0.027 8.211 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.875 -2.098 9.716 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.714 -1.685 8.898 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.495 -4.393 10.499 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.332 -3.982 9.677 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.224 -5.829 10.497 1.00 0.00 H new ATOM 323 N LYS A 23 -4.259 0.377 12.048 1.00 0.00 N ATOM 324 CA LYS A 23 -3.165 0.435 13.011 1.00 0.00 C ATOM 325 C LYS A 23 -2.343 -0.850 12.978 1.00 0.00 C ATOM 326 O LYS A 23 -2.826 -1.916 13.358 1.00 0.00 O ATOM 327 CB LYS A 23 -3.712 0.667 14.421 1.00 0.00 C ATOM 328 CG LYS A 23 -3.903 2.134 14.766 1.00 0.00 C ATOM 329 CD LYS A 23 -5.292 2.620 14.386 1.00 0.00 C ATOM 330 CE LYS A 23 -5.528 4.049 14.849 1.00 0.00 C ATOM 331 NZ LYS A 23 -4.957 5.042 13.897 1.00 0.00 N ATOM 0 H LYS A 23 -5.126 -0.015 12.417 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.517 1.268 12.738 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.667 0.152 14.520 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.031 0.218 15.144 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.745 2.281 15.834 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.153 2.731 14.247 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.416 2.562 13.305 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.042 1.964 14.829 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.598 4.224 14.957 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.081 4.190 15.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.139 6.004 14.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.931 4.892 13.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.402 4.924 12.964 1.00 0.00 H new ATOM 345 N ALA A 24 -1.099 -0.739 12.524 1.00 0.00 N ATOM 346 CA ALA A 24 -0.209 -1.891 12.446 1.00 0.00 C ATOM 347 C ALA A 24 0.062 -2.471 13.830 1.00 0.00 C ATOM 348 O ALA A 24 0.391 -1.741 14.765 1.00 0.00 O ATOM 349 CB ALA A 24 1.097 -1.504 11.768 1.00 0.00 C ATOM 0 H ALA A 24 -0.685 0.137 12.205 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.701 -2.659 11.850 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.752 -2.374 11.717 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.891 -1.145 10.760 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.585 -0.716 12.341 1.00 0.00 H new ATOM 355 N SER A 25 -0.081 -3.786 13.953 1.00 0.00 N ATOM 356 CA SER A 25 0.144 -4.463 15.225 1.00 0.00 C ATOM 357 C SER A 25 1.492 -5.179 15.229 1.00 0.00 C ATOM 358 O SER A 25 2.159 -5.263 16.260 1.00 0.00 O ATOM 359 CB SER A 25 -0.979 -5.465 15.500 1.00 0.00 C ATOM 360 OG SER A 25 -2.133 -4.813 16.001 1.00 0.00 O ATOM 0 H SER A 25 -0.351 -4.404 13.188 1.00 0.00 H new ATOM 0 HA SER A 25 0.150 -3.710 16.013 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.228 -5.998 14.582 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.638 -6.210 16.219 1.00 0.00 H new ATOM 0 HG SER A 25 -2.837 -5.475 16.167 1.00 0.00 H new ATOM 366 N GLN A 26 1.885 -5.693 14.068 1.00 0.00 N ATOM 367 CA GLN A 26 3.152 -6.402 13.936 1.00 0.00 C ATOM 368 C GLN A 26 4.260 -5.458 13.483 1.00 0.00 C ATOM 369 O GLN A 26 4.014 -4.436 12.841 1.00 0.00 O ATOM 370 CB GLN A 26 3.013 -7.559 12.944 1.00 0.00 C ATOM 371 CG GLN A 26 2.558 -8.859 13.586 1.00 0.00 C ATOM 372 CD GLN A 26 3.033 -10.082 12.826 1.00 0.00 C ATOM 373 OE1 GLN A 26 3.109 -10.073 11.597 1.00 0.00 O ATOM 374 NE2 GLN A 26 3.356 -11.144 13.555 1.00 0.00 N ATOM 0 H GLN A 26 1.344 -5.632 13.205 1.00 0.00 H new ATOM 0 HA GLN A 26 3.419 -6.802 14.914 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.301 -7.278 12.168 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.972 -7.722 12.452 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.930 -8.904 14.609 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.470 -8.871 13.642 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.278 -11.108 14.571 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.682 -11.996 13.099 1.00 0.00 H new ATOM 383 N PRO A 27 5.510 -5.805 13.824 1.00 0.00 N ATOM 384 CA PRO A 27 6.681 -5.001 13.461 1.00 0.00 C ATOM 385 C PRO A 27 6.973 -5.043 11.965 1.00 0.00 C ATOM 386 O PRO A 27 7.825 -4.306 11.469 1.00 0.00 O ATOM 387 CB PRO A 27 7.819 -5.658 14.246 1.00 0.00 C ATOM 388 CG PRO A 27 7.373 -7.064 14.454 1.00 0.00 C ATOM 389 CD PRO A 27 5.877 -7.009 14.588 1.00 0.00 C ATOM 0 HA PRO A 27 6.538 -3.946 13.693 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.757 -5.618 13.692 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.988 -5.152 15.196 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.667 -7.695 13.615 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.829 -7.490 15.348 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.404 -7.903 14.181 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.570 -6.932 15.631 1.00 0.00 H new ATOM 397 N ASP A 28 6.259 -5.907 11.252 1.00 0.00 N ATOM 398 CA ASP A 28 6.441 -6.044 9.812 1.00 0.00 C ATOM 399 C ASP A 28 5.401 -5.225 9.053 1.00 0.00 C ATOM 400 O ASP A 28 5.602 -4.871 7.892 1.00 0.00 O ATOM 401 CB ASP A 28 6.349 -7.514 9.401 1.00 0.00 C ATOM 402 CG ASP A 28 7.376 -8.377 10.108 1.00 0.00 C ATOM 403 OD1 ASP A 28 8.585 -8.102 9.960 1.00 0.00 O ATOM 404 OD2 ASP A 28 6.970 -9.328 10.809 1.00 0.00 O ATOM 0 H ASP A 28 5.549 -6.523 11.648 1.00 0.00 H new ATOM 0 HA ASP A 28 7.432 -5.666 9.559 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.350 -7.888 9.622 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.489 -7.597 8.323 1.00 0.00 H new ATOM 409 N GLU A 29 4.288 -4.930 9.718 1.00 0.00 N ATOM 410 CA GLU A 29 3.215 -4.155 9.105 1.00 0.00 C ATOM 411 C GLU A 29 3.593 -2.679 9.017 1.00 0.00 C ATOM 412 O GLU A 29 4.602 -2.250 9.578 1.00 0.00 O ATOM 413 CB GLU A 29 1.920 -4.315 9.903 1.00 0.00 C ATOM 414 CG GLU A 29 1.083 -5.507 9.471 1.00 0.00 C ATOM 415 CD GLU A 29 1.656 -6.827 9.950 1.00 0.00 C ATOM 416 OE1 GLU A 29 2.897 -6.934 10.044 1.00 0.00 O ATOM 417 OE2 GLU A 29 0.865 -7.751 10.231 1.00 0.00 O ATOM 0 H GLU A 29 4.106 -5.216 10.680 1.00 0.00 H new ATOM 0 HA GLU A 29 3.059 -4.533 8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.165 -4.418 10.960 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.325 -3.407 9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.070 -5.394 9.857 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.010 -5.520 8.384 1.00 0.00 H new ATOM 424 N LEU A 30 2.775 -1.907 8.309 1.00 0.00 N ATOM 425 CA LEU A 30 3.022 -0.478 8.146 1.00 0.00 C ATOM 426 C LEU A 30 1.831 0.339 8.635 1.00 0.00 C ATOM 427 O LEU A 30 0.765 0.336 8.018 1.00 0.00 O ATOM 428 CB LEU A 30 3.310 -0.154 6.679 1.00 0.00 C ATOM 429 CG LEU A 30 4.244 1.029 6.424 1.00 0.00 C ATOM 430 CD1 LEU A 30 3.525 2.343 6.684 1.00 0.00 C ATOM 431 CD2 LEU A 30 5.491 0.921 7.290 1.00 0.00 C ATOM 0 H LEU A 30 1.936 -2.246 7.839 1.00 0.00 H new ATOM 0 HA LEU A 30 3.892 -0.214 8.747 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.741 -1.039 6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.362 0.043 6.178 1.00 0.00 H new ATOM 0 HG LEU A 30 4.549 1.006 5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.206 3.173 6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.664 2.424 6.021 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.189 2.375 7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.144 1.772 7.095 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.204 0.917 8.342 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.019 -0.003 7.054 1.00 0.00 H new ATOM 443 N THR A 31 2.018 1.042 9.748 1.00 0.00 N ATOM 444 CA THR A 31 0.960 1.865 10.320 1.00 0.00 C ATOM 445 C THR A 31 0.488 2.921 9.326 1.00 0.00 C ATOM 446 O THR A 31 1.251 3.804 8.935 1.00 0.00 O ATOM 447 CB THR A 31 1.428 2.564 11.610 1.00 0.00 C ATOM 448 OG1 THR A 31 2.016 1.609 12.499 1.00 0.00 O ATOM 449 CG2 THR A 31 0.264 3.258 12.302 1.00 0.00 C ATOM 0 H THR A 31 2.893 1.058 10.271 1.00 0.00 H new ATOM 0 HA THR A 31 0.132 1.197 10.557 1.00 0.00 H new ATOM 0 HB THR A 31 2.171 3.315 11.341 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.312 2.062 13.316 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.619 3.745 13.211 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.164 4.005 11.633 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.498 2.522 12.558 1.00 0.00 H new ATOM 457 N ILE A 32 -0.775 2.824 8.923 1.00 0.00 N ATOM 458 CA ILE A 32 -1.349 3.772 7.976 1.00 0.00 C ATOM 459 C ILE A 32 -2.508 4.540 8.602 1.00 0.00 C ATOM 460 O ILE A 32 -2.936 4.237 9.715 1.00 0.00 O ATOM 461 CB ILE A 32 -1.845 3.064 6.702 1.00 0.00 C ATOM 462 CG1 ILE A 32 -2.946 2.059 7.046 1.00 0.00 C ATOM 463 CG2 ILE A 32 -0.689 2.371 5.996 1.00 0.00 C ATOM 464 CD1 ILE A 32 -3.514 1.348 5.838 1.00 0.00 C ATOM 0 H ILE A 32 -1.420 2.099 9.237 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.556 4.470 7.708 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.261 3.812 6.027 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.547 1.318 7.739 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.752 2.579 7.564 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.056 1.875 5.097 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.064 3.109 5.721 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.246 1.631 6.663 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.289 0.651 6.157 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.943 2.080 5.154 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.720 0.800 5.331 1.00 0.00 H new ATOM 476 N GLU A 33 -3.013 5.533 7.877 1.00 0.00 N ATOM 477 CA GLU A 33 -4.124 6.344 8.362 1.00 0.00 C ATOM 478 C GLU A 33 -4.892 6.965 7.199 1.00 0.00 C ATOM 479 O GLU A 33 -4.300 7.377 6.201 1.00 0.00 O ATOM 480 CB GLU A 33 -3.613 7.443 9.296 1.00 0.00 C ATOM 481 CG GLU A 33 -3.571 7.029 10.757 1.00 0.00 C ATOM 482 CD GLU A 33 -3.597 8.216 11.701 1.00 0.00 C ATOM 483 OE1 GLU A 33 -2.916 9.221 11.408 1.00 0.00 O ATOM 484 OE2 GLU A 33 -4.298 8.140 12.731 1.00 0.00 O ATOM 0 H GLU A 33 -2.671 5.795 6.953 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.801 5.693 8.916 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.612 7.739 8.982 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.251 8.321 9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.420 6.380 10.971 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.669 6.444 10.939 1.00 0.00 H new ATOM 491 N GLU A 34 -6.212 7.028 7.335 1.00 0.00 N ATOM 492 CA GLU A 34 -7.061 7.598 6.296 1.00 0.00 C ATOM 493 C GLU A 34 -6.440 8.869 5.722 1.00 0.00 C ATOM 494 O GLU A 34 -5.851 9.668 6.450 1.00 0.00 O ATOM 495 CB GLU A 34 -8.453 7.904 6.853 1.00 0.00 C ATOM 496 CG GLU A 34 -9.511 8.091 5.779 1.00 0.00 C ATOM 497 CD GLU A 34 -10.922 8.002 6.328 1.00 0.00 C ATOM 498 OE1 GLU A 34 -11.250 8.780 7.248 1.00 0.00 O ATOM 499 OE2 GLU A 34 -11.697 7.155 5.838 1.00 0.00 O ATOM 0 H GLU A 34 -6.717 6.691 8.155 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.152 6.865 5.495 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.757 7.092 7.513 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.401 8.807 7.461 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.371 9.061 5.302 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.377 7.334 5.007 1.00 0.00 H new ATOM 506 N HIS A 35 -6.576 9.047 4.412 1.00 0.00 N ATOM 507 CA HIS A 35 -6.028 10.220 3.739 1.00 0.00 C ATOM 508 C HIS A 35 -4.504 10.167 3.710 1.00 0.00 C ATOM 509 O HIS A 35 -3.835 11.180 3.914 1.00 0.00 O ATOM 510 CB HIS A 35 -6.493 11.498 4.438 1.00 0.00 C ATOM 511 CG HIS A 35 -7.896 11.421 4.956 1.00 0.00 C ATOM 512 ND1 HIS A 35 -8.997 11.302 4.134 1.00 0.00 N ATOM 513 CD2 HIS A 35 -8.375 11.445 6.222 1.00 0.00 C ATOM 514 CE1 HIS A 35 -10.092 11.258 4.872 1.00 0.00 C ATOM 515 NE2 HIS A 35 -9.742 11.342 6.142 1.00 0.00 N ATOM 0 H HIS A 35 -7.061 8.395 3.795 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.393 10.223 2.712 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.820 11.714 5.267 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.417 12.332 3.740 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.791 11.529 7.126 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.102 11.169 4.500 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.383 11.332 6.935 1.00 0.00 H new ATOM 524 N GLU A 36 -3.962 8.980 3.456 1.00 0.00 N ATOM 525 CA GLU A 36 -2.516 8.797 3.402 1.00 0.00 C ATOM 526 C GLU A 36 -2.094 8.192 2.067 1.00 0.00 C ATOM 527 O GLU A 36 -2.260 6.994 1.835 1.00 0.00 O ATOM 528 CB GLU A 36 -2.051 7.900 4.551 1.00 0.00 C ATOM 529 CG GLU A 36 -0.547 7.684 4.583 1.00 0.00 C ATOM 530 CD GLU A 36 0.192 8.825 5.253 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.162 9.169 6.400 1.00 0.00 O ATOM 532 OE2 GLU A 36 1.125 9.375 4.631 1.00 0.00 O ATOM 0 H GLU A 36 -4.502 8.132 3.285 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.047 9.776 3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.367 8.342 5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.547 6.933 4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.328 6.755 5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.179 7.566 3.564 1.00 0.00 H new ATOM 539 N VAL A 37 -1.547 9.029 1.191 1.00 0.00 N ATOM 540 CA VAL A 37 -1.100 8.578 -0.122 1.00 0.00 C ATOM 541 C VAL A 37 0.213 7.810 -0.021 1.00 0.00 C ATOM 542 O VAL A 37 1.238 8.362 0.381 1.00 0.00 O ATOM 543 CB VAL A 37 -0.917 9.762 -1.090 1.00 0.00 C ATOM 544 CG1 VAL A 37 -0.489 9.268 -2.463 1.00 0.00 C ATOM 545 CG2 VAL A 37 -2.198 10.577 -1.182 1.00 0.00 C ATOM 0 H VAL A 37 -1.403 10.023 1.367 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.875 7.917 -0.511 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.130 10.408 -0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.365 10.119 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.456 8.732 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.251 8.599 -2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.051 11.409 -1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.007 9.944 -1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.455 10.963 -0.196 1.00 0.00 H new ATOM 555 N LEU A 38 0.175 6.534 -0.389 1.00 0.00 N ATOM 556 CA LEU A 38 1.363 5.689 -0.341 1.00 0.00 C ATOM 557 C LEU A 38 1.790 5.269 -1.744 1.00 0.00 C ATOM 558 O LEU A 38 1.078 5.513 -2.718 1.00 0.00 O ATOM 559 CB LEU A 38 1.098 4.450 0.516 1.00 0.00 C ATOM 560 CG LEU A 38 0.470 4.705 1.887 1.00 0.00 C ATOM 561 CD1 LEU A 38 -0.144 3.428 2.439 1.00 0.00 C ATOM 562 CD2 LEU A 38 1.506 5.261 2.853 1.00 0.00 C ATOM 0 H LEU A 38 -0.665 6.062 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 38 2.171 6.267 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.444 3.780 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.042 3.925 0.663 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.323 5.444 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.586 3.629 3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.916 3.071 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.630 2.667 2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.042 5.436 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.320 4.545 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.899 6.200 2.464 1.00 0.00 H new ATOM 574 N GLU A 39 2.954 4.634 -1.838 1.00 0.00 N ATOM 575 CA GLU A 39 3.473 4.178 -3.122 1.00 0.00 C ATOM 576 C GLU A 39 3.744 2.676 -3.097 1.00 0.00 C ATOM 577 O GLU A 39 4.656 2.210 -2.414 1.00 0.00 O ATOM 578 CB GLU A 39 4.756 4.933 -3.475 1.00 0.00 C ATOM 579 CG GLU A 39 5.027 5.006 -4.969 1.00 0.00 C ATOM 580 CD GLU A 39 4.410 6.232 -5.614 1.00 0.00 C ATOM 581 OE1 GLU A 39 3.584 6.897 -4.955 1.00 0.00 O ATOM 582 OE2 GLU A 39 4.753 6.525 -6.779 1.00 0.00 O ATOM 0 H GLU A 39 3.555 4.424 -1.041 1.00 0.00 H new ATOM 0 HA GLU A 39 2.719 4.381 -3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.694 5.945 -3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.600 4.448 -2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.104 5.013 -5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.634 4.110 -5.450 1.00 0.00 H new ATOM 589 N VAL A 40 2.945 1.924 -3.848 1.00 0.00 N ATOM 590 CA VAL A 40 3.099 0.476 -3.914 1.00 0.00 C ATOM 591 C VAL A 40 4.308 0.089 -4.758 1.00 0.00 C ATOM 592 O VAL A 40 4.230 0.042 -5.986 1.00 0.00 O ATOM 593 CB VAL A 40 1.842 -0.195 -4.498 1.00 0.00 C ATOM 594 CG1 VAL A 40 2.065 -1.690 -4.669 1.00 0.00 C ATOM 595 CG2 VAL A 40 0.634 0.074 -3.613 1.00 0.00 C ATOM 0 H VAL A 40 2.185 2.294 -4.419 1.00 0.00 H new ATOM 0 HA VAL A 40 3.247 0.126 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 40 1.646 0.234 -5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.166 -2.147 -5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.902 -1.858 -5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.287 -2.138 -3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.245 -0.408 -4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.817 -0.326 -2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.463 1.149 -3.547 1.00 0.00 H new ATOM 605 N ILE A 41 5.423 -0.188 -4.092 1.00 0.00 N ATOM 606 CA ILE A 41 6.649 -0.573 -4.781 1.00 0.00 C ATOM 607 C ILE A 41 6.726 -2.085 -4.962 1.00 0.00 C ATOM 608 O ILE A 41 7.079 -2.574 -6.035 1.00 0.00 O ATOM 609 CB ILE A 41 7.898 -0.094 -4.018 1.00 0.00 C ATOM 610 CG1 ILE A 41 8.016 -0.825 -2.679 1.00 0.00 C ATOM 611 CG2 ILE A 41 7.843 1.411 -3.803 1.00 0.00 C ATOM 612 CD1 ILE A 41 9.174 -0.349 -1.831 1.00 0.00 C ATOM 0 H ILE A 41 5.503 -0.153 -3.076 1.00 0.00 H new ATOM 0 HA ILE A 41 6.625 -0.093 -5.759 1.00 0.00 H new ATOM 0 HB ILE A 41 8.781 -0.324 -4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.089 -0.695 -2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.128 -1.893 -2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.733 1.734 -3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.802 1.915 -4.769 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.955 1.664 -3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.196 -0.911 -0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.108 -0.505 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.053 0.712 -1.613 1.00 0.00 H new ATOM 624 N GLU A 42 6.391 -2.820 -3.906 1.00 0.00 N ATOM 625 CA GLU A 42 6.422 -4.277 -3.949 1.00 0.00 C ATOM 626 C GLU A 42 5.107 -4.864 -3.445 1.00 0.00 C ATOM 627 O GLU A 42 4.327 -4.185 -2.777 1.00 0.00 O ATOM 628 CB GLU A 42 7.585 -4.810 -3.111 1.00 0.00 C ATOM 629 CG GLU A 42 8.867 -5.006 -3.904 1.00 0.00 C ATOM 630 CD GLU A 42 9.914 -5.789 -3.135 1.00 0.00 C ATOM 631 OE1 GLU A 42 9.849 -7.036 -3.147 1.00 0.00 O ATOM 632 OE2 GLU A 42 10.798 -5.155 -2.523 1.00 0.00 O ATOM 0 H GLU A 42 6.095 -2.430 -3.011 1.00 0.00 H new ATOM 0 HA GLU A 42 6.562 -4.581 -4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.777 -4.119 -2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.295 -5.761 -2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.639 -5.527 -4.834 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.274 -4.032 -4.176 1.00 0.00 H new ATOM 639 N ASP A 43 4.867 -6.130 -3.771 1.00 0.00 N ATOM 640 CA ASP A 43 3.647 -6.810 -3.351 1.00 0.00 C ATOM 641 C ASP A 43 3.862 -7.548 -2.033 1.00 0.00 C ATOM 642 O ASP A 43 3.220 -8.563 -1.767 1.00 0.00 O ATOM 643 CB ASP A 43 3.188 -7.791 -4.431 1.00 0.00 C ATOM 644 CG ASP A 43 4.351 -8.458 -5.140 1.00 0.00 C ATOM 645 OD1 ASP A 43 5.047 -7.768 -5.914 1.00 0.00 O ATOM 646 OD2 ASP A 43 4.564 -9.669 -4.921 1.00 0.00 O ATOM 0 H ASP A 43 5.501 -6.706 -4.325 1.00 0.00 H new ATOM 0 HA ASP A 43 2.873 -6.057 -3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.556 -8.555 -3.979 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.576 -7.262 -5.162 1.00 0.00 H new ATOM 651 N GLY A 44 4.771 -7.030 -1.212 1.00 0.00 N ATOM 652 CA GLY A 44 5.056 -7.653 0.067 1.00 0.00 C ATOM 653 C GLY A 44 5.442 -9.112 -0.072 1.00 0.00 C ATOM 654 O GLY A 44 5.738 -9.581 -1.171 1.00 0.00 O ATOM 0 H GLY A 44 5.315 -6.190 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.864 -7.112 0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.180 -7.572 0.710 1.00 0.00 H new ATOM 714 N TRP A 49 -1.379 -9.132 1.132 1.00 0.00 N ATOM 715 CA TRP A 49 -0.596 -8.024 1.667 1.00 0.00 C ATOM 716 C TRP A 49 0.379 -7.493 0.622 1.00 0.00 C ATOM 717 O TRP A 49 0.858 -8.240 -0.231 1.00 0.00 O ATOM 718 CB TRP A 49 0.168 -8.469 2.915 1.00 0.00 C ATOM 719 CG TRP A 49 -0.727 -8.856 4.053 1.00 0.00 C ATOM 720 CD1 TRP A 49 -1.362 -10.052 4.226 1.00 0.00 C ATOM 721 CD2 TRP A 49 -1.087 -8.043 5.175 1.00 0.00 C ATOM 722 NE1 TRP A 49 -2.096 -10.032 5.387 1.00 0.00 N ATOM 723 CE2 TRP A 49 -1.943 -8.810 5.988 1.00 0.00 C ATOM 724 CE3 TRP A 49 -0.768 -6.741 5.572 1.00 0.00 C ATOM 725 CZ2 TRP A 49 -2.483 -8.318 7.173 1.00 0.00 C ATOM 726 CZ3 TRP A 49 -1.305 -6.254 6.748 1.00 0.00 C ATOM 727 CH2 TRP A 49 -2.154 -7.041 7.538 1.00 0.00 C ATOM 0 HA TRP A 49 -1.283 -7.222 1.937 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.805 -9.315 2.659 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.825 -7.661 3.237 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.297 -10.891 3.549 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -2.663 -10.801 5.744 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -0.114 -6.127 4.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.138 -8.923 7.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -1.066 -5.249 7.064 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.556 -6.631 8.453 1.00 0.00 H new ATOM 738 N VAL A 50 0.668 -6.197 0.693 1.00 0.00 N ATOM 739 CA VAL A 50 1.587 -5.566 -0.246 1.00 0.00 C ATOM 740 C VAL A 50 2.590 -4.676 0.479 1.00 0.00 C ATOM 741 O VAL A 50 2.389 -4.311 1.638 1.00 0.00 O ATOM 742 CB VAL A 50 0.831 -4.723 -1.290 1.00 0.00 C ATOM 743 CG1 VAL A 50 0.036 -5.620 -2.227 1.00 0.00 C ATOM 744 CG2 VAL A 50 -0.079 -3.716 -0.603 1.00 0.00 C ATOM 0 H VAL A 50 0.278 -5.564 1.392 1.00 0.00 H new ATOM 0 HA VAL A 50 2.120 -6.369 -0.754 1.00 0.00 H new ATOM 0 HB VAL A 50 1.560 -4.173 -1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.491 -5.007 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.715 -6.298 -2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.686 -6.199 -1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.605 -3.129 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.803 -4.244 0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.519 -3.053 0.022 1.00 0.00 H new ATOM 754 N LYS A 51 3.671 -4.329 -0.210 1.00 0.00 N ATOM 755 CA LYS A 51 4.707 -3.480 0.367 1.00 0.00 C ATOM 756 C LYS A 51 4.554 -2.038 -0.106 1.00 0.00 C ATOM 757 O LYS A 51 4.690 -1.747 -1.293 1.00 0.00 O ATOM 758 CB LYS A 51 6.094 -4.007 -0.007 1.00 0.00 C ATOM 759 CG LYS A 51 7.203 -3.495 0.896 1.00 0.00 C ATOM 760 CD LYS A 51 8.537 -4.141 0.561 1.00 0.00 C ATOM 761 CE LYS A 51 8.760 -5.412 1.367 1.00 0.00 C ATOM 762 NZ LYS A 51 10.038 -6.083 1.003 1.00 0.00 N ATOM 0 H LYS A 51 3.853 -4.623 -1.170 1.00 0.00 H new ATOM 0 HA LYS A 51 4.598 -3.502 1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.081 -5.096 0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.315 -3.725 -1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.286 -2.413 0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.950 -3.699 1.936 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.573 -4.373 -0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.344 -3.436 0.761 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.766 -5.171 2.430 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.929 -6.098 1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.153 -6.945 1.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.022 -6.336 -0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.833 -5.438 1.186 1.00 0.00 H new ATOM 776 N ALA A 52 4.272 -1.139 0.832 1.00 0.00 N ATOM 777 CA ALA A 52 4.105 0.272 0.511 1.00 0.00 C ATOM 778 C ALA A 52 5.011 1.143 1.375 1.00 0.00 C ATOM 779 O ALA A 52 5.429 0.736 2.459 1.00 0.00 O ATOM 780 CB ALA A 52 2.650 0.684 0.686 1.00 0.00 C ATOM 0 H ALA A 52 4.155 -1.364 1.820 1.00 0.00 H new ATOM 0 HA ALA A 52 4.390 0.419 -0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.539 1.741 0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.022 0.091 0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.346 0.516 1.719 1.00 0.00 H new ATOM 786 N ARG A 53 5.310 2.343 0.888 1.00 0.00 N ATOM 787 CA ARG A 53 6.169 3.270 1.616 1.00 0.00 C ATOM 788 C ARG A 53 5.423 4.562 1.938 1.00 0.00 C ATOM 789 O ARG A 53 4.878 5.214 1.048 1.00 0.00 O ATOM 790 CB ARG A 53 7.425 3.582 0.800 1.00 0.00 C ATOM 791 CG ARG A 53 8.466 4.380 1.568 1.00 0.00 C ATOM 792 CD ARG A 53 9.761 4.507 0.781 1.00 0.00 C ATOM 793 NE ARG A 53 10.905 4.776 1.649 1.00 0.00 N ATOM 794 CZ ARG A 53 12.086 5.189 1.202 1.00 0.00 C ATOM 795 NH1 ARG A 53 12.277 5.380 -0.097 1.00 0.00 N ATOM 796 NH2 ARG A 53 13.078 5.413 2.054 1.00 0.00 N ATOM 0 H ARG A 53 4.971 2.696 -0.007 1.00 0.00 H new ATOM 0 HA ARG A 53 6.462 2.797 2.553 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.872 2.646 0.464 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.139 4.138 -0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.075 5.373 1.790 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.666 3.895 2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.938 3.588 0.223 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.664 5.310 0.050 1.00 0.00 H new ATOM 0 HE ARG A 53 10.791 4.639 2.653 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.516 5.210 -0.755 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.185 5.697 -0.438 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.934 5.268 3.053 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.984 5.730 1.710 1.00 0.00 H new ATOM 810 N ASN A 54 5.405 4.926 3.216 1.00 0.00 N ATOM 811 CA ASN A 54 4.726 6.140 3.655 1.00 0.00 C ATOM 812 C ASN A 54 5.633 7.357 3.499 1.00 0.00 C ATOM 813 O ASN A 54 6.739 7.257 2.969 1.00 0.00 O ATOM 814 CB ASN A 54 4.284 6.002 5.114 1.00 0.00 C ATOM 815 CG ASN A 54 5.316 5.289 5.966 1.00 0.00 C ATOM 816 OD1 ASN A 54 6.400 4.948 5.492 1.00 0.00 O ATOM 817 ND2 ASN A 54 4.982 5.059 7.230 1.00 0.00 N ATOM 0 H ASN A 54 5.852 4.398 3.965 1.00 0.00 H new ATOM 0 HA ASN A 54 3.846 6.282 3.028 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.096 6.992 5.529 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.342 5.455 5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.635 4.582 7.851 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.072 5.360 7.580 1.00 0.00 H new ATOM 824 N LYS A 55 5.156 8.506 3.966 1.00 0.00 N ATOM 825 CA LYS A 55 5.923 9.743 3.882 1.00 0.00 C ATOM 826 C LYS A 55 7.177 9.667 4.746 1.00 0.00 C ATOM 827 O LYS A 55 8.180 10.322 4.463 1.00 0.00 O ATOM 828 CB LYS A 55 5.062 10.932 4.317 1.00 0.00 C ATOM 829 CG LYS A 55 4.535 10.813 5.737 1.00 0.00 C ATOM 830 CD LYS A 55 3.208 11.535 5.901 1.00 0.00 C ATOM 831 CE LYS A 55 2.989 11.979 7.339 1.00 0.00 C ATOM 832 NZ LYS A 55 2.574 10.846 8.212 1.00 0.00 N ATOM 0 H LYS A 55 4.242 8.606 4.407 1.00 0.00 H new ATOM 0 HA LYS A 55 6.227 9.882 2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.650 11.846 4.232 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.219 11.030 3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.412 9.761 5.994 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.264 11.228 6.433 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.181 12.404 5.243 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.395 10.878 5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.908 12.419 7.727 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.226 12.757 7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.435 11.189 9.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.684 10.442 7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.313 10.114 8.206 1.00 0.00 H new ATOM 846 N VAL A 56 7.115 8.861 5.802 1.00 0.00 N ATOM 847 CA VAL A 56 8.246 8.696 6.706 1.00 0.00 C ATOM 848 C VAL A 56 9.303 7.777 6.103 1.00 0.00 C ATOM 849 O VAL A 56 10.255 7.384 6.775 1.00 0.00 O ATOM 850 CB VAL A 56 7.800 8.126 8.065 1.00 0.00 C ATOM 851 CG1 VAL A 56 7.025 9.169 8.854 1.00 0.00 C ATOM 852 CG2 VAL A 56 6.967 6.868 7.867 1.00 0.00 C ATOM 0 H VAL A 56 6.292 8.312 6.052 1.00 0.00 H new ATOM 0 HA VAL A 56 8.675 9.686 6.859 1.00 0.00 H new ATOM 0 HB VAL A 56 8.689 7.860 8.637 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.718 8.747 9.811 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.658 10.039 9.027 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.142 9.469 8.290 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.660 6.478 8.838 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.083 7.106 7.276 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.560 6.117 7.346 1.00 0.00 H new ATOM 862 N GLY A 57 9.127 7.437 4.830 1.00 0.00 N ATOM 863 CA GLY A 57 10.073 6.567 4.157 1.00 0.00 C ATOM 864 C GLY A 57 10.090 5.168 4.741 1.00 0.00 C ATOM 865 O GLY A 57 10.991 4.380 4.454 1.00 0.00 O ATOM 0 H GLY A 57 8.346 7.749 4.253 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.822 6.512 3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.072 6.998 4.226 1.00 0.00 H new ATOM 869 N GLN A 58 9.093 4.859 5.564 1.00 0.00 N ATOM 870 CA GLN A 58 9.000 3.547 6.192 1.00 0.00 C ATOM 871 C GLN A 58 8.351 2.538 5.250 1.00 0.00 C ATOM 872 O GLN A 58 7.418 2.867 4.518 1.00 0.00 O ATOM 873 CB GLN A 58 8.200 3.636 7.492 1.00 0.00 C ATOM 874 CG GLN A 58 9.059 3.897 8.719 1.00 0.00 C ATOM 875 CD GLN A 58 9.530 2.619 9.385 1.00 0.00 C ATOM 876 OE1 GLN A 58 10.079 1.731 8.732 1.00 0.00 O ATOM 877 NE2 GLN A 58 9.318 2.519 10.692 1.00 0.00 N ATOM 0 H GLN A 58 8.339 5.499 5.811 1.00 0.00 H new ATOM 0 HA GLN A 58 10.011 3.208 6.418 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.461 4.432 7.400 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.650 2.706 7.635 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.925 4.493 8.431 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.490 4.488 9.437 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.859 3.279 11.194 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.614 1.682 11.194 1.00 0.00 H new ATOM 886 N VAL A 59 8.853 1.307 5.273 1.00 0.00 N ATOM 887 CA VAL A 59 8.321 0.249 4.421 1.00 0.00 C ATOM 888 C VAL A 59 7.839 -0.935 5.252 1.00 0.00 C ATOM 889 O VAL A 59 8.593 -1.498 6.045 1.00 0.00 O ATOM 890 CB VAL A 59 9.376 -0.241 3.411 1.00 0.00 C ATOM 891 CG1 VAL A 59 8.751 -1.199 2.408 1.00 0.00 C ATOM 892 CG2 VAL A 59 10.024 0.939 2.703 1.00 0.00 C ATOM 0 H VAL A 59 9.627 1.018 5.872 1.00 0.00 H new ATOM 0 HA VAL A 59 7.478 0.674 3.877 1.00 0.00 H new ATOM 0 HB VAL A 59 10.152 -0.779 3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.511 -1.534 1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.340 -2.060 2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.954 -0.690 1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.767 0.574 1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.261 1.507 2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.509 1.582 3.437 1.00 0.00 H new ATOM 902 N GLY A 60 6.577 -1.309 5.063 1.00 0.00 N ATOM 903 CA GLY A 60 6.016 -2.425 5.802 1.00 0.00 C ATOM 904 C GLY A 60 5.003 -3.207 4.989 1.00 0.00 C ATOM 905 O GLY A 60 5.018 -3.164 3.759 1.00 0.00 O ATOM 0 H GLY A 60 5.934 -0.859 4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.820 -3.092 6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.540 -2.054 6.710 1.00 0.00 H new ATOM 909 N TYR A 61 4.122 -3.924 5.677 1.00 0.00 N ATOM 910 CA TYR A 61 3.100 -4.723 5.012 1.00 0.00 C ATOM 911 C TYR A 61 1.703 -4.214 5.354 1.00 0.00 C ATOM 912 O TYR A 61 1.345 -4.088 6.525 1.00 0.00 O ATOM 913 CB TYR A 61 3.231 -6.193 5.411 1.00 0.00 C ATOM 914 CG TYR A 61 4.553 -6.812 5.017 1.00 0.00 C ATOM 915 CD1 TYR A 61 5.072 -6.636 3.740 1.00 0.00 C ATOM 916 CD2 TYR A 61 5.284 -7.572 5.922 1.00 0.00 C ATOM 917 CE1 TYR A 61 6.279 -7.201 3.375 1.00 0.00 C ATOM 918 CE2 TYR A 61 6.493 -8.139 5.566 1.00 0.00 C ATOM 919 CZ TYR A 61 6.986 -7.951 4.292 1.00 0.00 C ATOM 920 OH TYR A 61 8.189 -8.513 3.933 1.00 0.00 O ATOM 0 H TYR A 61 4.095 -3.968 6.696 1.00 0.00 H new ATOM 0 HA TYR A 61 3.247 -4.632 3.936 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.106 -6.280 6.490 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.422 -6.760 4.949 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.522 -6.047 3.020 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.901 -7.722 6.921 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.667 -7.056 2.377 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.049 -8.726 6.282 1.00 0.00 H new ATOM 0 HH TYR A 61 8.559 -9.008 4.694 1.00 0.00 H new ATOM 930 N VAL A 62 0.917 -3.924 4.322 1.00 0.00 N ATOM 931 CA VAL A 62 -0.442 -3.431 4.511 1.00 0.00 C ATOM 932 C VAL A 62 -1.412 -4.108 3.548 1.00 0.00 C ATOM 933 O VAL A 62 -1.047 -4.516 2.445 1.00 0.00 O ATOM 934 CB VAL A 62 -0.519 -1.906 4.310 1.00 0.00 C ATOM 935 CG1 VAL A 62 0.188 -1.182 5.446 1.00 0.00 C ATOM 936 CG2 VAL A 62 0.076 -1.515 2.966 1.00 0.00 C ATOM 0 H VAL A 62 1.198 -4.022 3.346 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.725 -3.670 5.536 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.568 -1.608 4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.124 -0.106 5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.288 -1.438 6.393 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.235 -1.483 5.473 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.013 -0.434 2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.120 -1.825 2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.478 -2.006 2.166 1.00 0.00 H new ATOM 946 N PRO A 63 -2.678 -4.231 3.973 1.00 0.00 N ATOM 947 CA PRO A 63 -3.727 -4.858 3.163 1.00 0.00 C ATOM 948 C PRO A 63 -4.111 -4.010 1.955 1.00 0.00 C ATOM 949 O PRO A 63 -4.446 -2.834 2.093 1.00 0.00 O ATOM 950 CB PRO A 63 -4.905 -4.970 4.134 1.00 0.00 C ATOM 951 CG PRO A 63 -4.675 -3.891 5.134 1.00 0.00 C ATOM 952 CD PRO A 63 -3.183 -3.768 5.276 1.00 0.00 C ATOM 0 HA PRO A 63 -3.406 -5.814 2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.856 -4.836 3.619 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.935 -5.951 4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.114 -2.951 4.801 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.139 -4.139 6.089 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.882 -2.741 5.482 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.805 -4.381 6.094 1.00 0.00 H new ATOM 960 N GLU A 64 -4.061 -4.616 0.772 1.00 0.00 N ATOM 961 CA GLU A 64 -4.403 -3.914 -0.459 1.00 0.00 C ATOM 962 C GLU A 64 -5.859 -3.457 -0.438 1.00 0.00 C ATOM 963 O GLU A 64 -6.169 -2.317 -0.785 1.00 0.00 O ATOM 964 CB GLU A 64 -4.158 -4.816 -1.671 1.00 0.00 C ATOM 965 CG GLU A 64 -4.087 -4.061 -2.987 1.00 0.00 C ATOM 966 CD GLU A 64 -4.391 -4.942 -4.183 1.00 0.00 C ATOM 967 OE1 GLU A 64 -3.542 -5.793 -4.524 1.00 0.00 O ATOM 968 OE2 GLU A 64 -5.477 -4.782 -4.778 1.00 0.00 O ATOM 0 H GLU A 64 -3.787 -5.590 0.641 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.765 -3.034 -0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.226 -5.362 -1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.956 -5.557 -1.729 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.793 -3.231 -2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.092 -3.631 -3.101 1.00 0.00 H new ATOM 975 N LYS A 65 -6.749 -4.354 -0.028 1.00 0.00 N ATOM 976 CA LYS A 65 -8.172 -4.045 0.040 1.00 0.00 C ATOM 977 C LYS A 65 -8.403 -2.683 0.687 1.00 0.00 C ATOM 978 O LYS A 65 -9.394 -2.010 0.403 1.00 0.00 O ATOM 979 CB LYS A 65 -8.913 -5.128 0.829 1.00 0.00 C ATOM 980 CG LYS A 65 -8.080 -5.752 1.935 1.00 0.00 C ATOM 981 CD LYS A 65 -8.948 -6.211 3.095 1.00 0.00 C ATOM 982 CE LYS A 65 -9.443 -7.635 2.891 1.00 0.00 C ATOM 983 NZ LYS A 65 -10.722 -7.674 2.130 1.00 0.00 N ATOM 0 H LYS A 65 -6.509 -5.302 0.263 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.561 -4.015 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.814 -4.696 1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.234 -5.911 0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.523 -6.601 1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.347 -5.029 2.292 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.379 -6.152 4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.800 -5.540 3.201 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.686 -8.210 2.358 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.583 -8.113 3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.026 -8.662 2.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.452 -7.147 2.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.583 -7.241 1.195 1.00 0.00 H new ATOM 997 N TYR A 66 -7.482 -2.282 1.556 1.00 0.00 N ATOM 998 CA TYR A 66 -7.586 -1.001 2.243 1.00 0.00 C ATOM 999 C TYR A 66 -7.024 0.127 1.382 1.00 0.00 C ATOM 1000 O TYR A 66 -7.466 1.273 1.472 1.00 0.00 O ATOM 1001 CB TYR A 66 -6.844 -1.053 3.580 1.00 0.00 C ATOM 1002 CG TYR A 66 -7.618 -1.753 4.674 1.00 0.00 C ATOM 1003 CD1 TYR A 66 -8.452 -2.826 4.385 1.00 0.00 C ATOM 1004 CD2 TYR A 66 -7.515 -1.341 5.997 1.00 0.00 C ATOM 1005 CE1 TYR A 66 -9.161 -3.468 5.381 1.00 0.00 C ATOM 1006 CE2 TYR A 66 -8.220 -1.979 7.000 1.00 0.00 C ATOM 1007 CZ TYR A 66 -9.042 -3.041 6.687 1.00 0.00 C ATOM 1008 OH TYR A 66 -9.746 -3.678 7.683 1.00 0.00 O ATOM 0 H TYR A 66 -6.655 -2.826 1.801 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.642 -0.802 2.428 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.891 -1.562 3.438 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.617 -0.036 3.900 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.547 -3.164 3.364 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.873 -0.509 6.246 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.805 -4.300 5.139 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.128 -1.647 8.024 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.549 -3.255 8.545 1.00 0.00 H new ATOM 1018 N LEU A 67 -6.048 -0.207 0.545 1.00 0.00 N ATOM 1019 CA LEU A 67 -5.425 0.775 -0.335 1.00 0.00 C ATOM 1020 C LEU A 67 -6.300 1.046 -1.555 1.00 0.00 C ATOM 1021 O LEU A 67 -7.047 0.175 -1.999 1.00 0.00 O ATOM 1022 CB LEU A 67 -4.045 0.288 -0.781 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.048 -0.018 0.337 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -1.863 -0.803 -0.204 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -2.579 1.269 0.999 1.00 0.00 C ATOM 0 H LEU A 67 -5.671 -1.151 0.457 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.312 1.705 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.176 -0.613 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.608 1.044 -1.433 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.550 -0.629 1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.164 -1.011 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.214 -1.742 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.361 -0.219 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.870 1.033 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.095 1.904 0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.436 1.793 1.422 1.00 0.00 H new ATOM 1037 N GLN A 68 -6.199 2.257 -2.092 1.00 0.00 N ATOM 1038 CA GLN A 68 -6.980 2.641 -3.262 1.00 0.00 C ATOM 1039 C GLN A 68 -6.087 2.788 -4.489 1.00 0.00 C ATOM 1040 O GLN A 68 -5.462 3.829 -4.695 1.00 0.00 O ATOM 1041 CB GLN A 68 -7.723 3.952 -2.998 1.00 0.00 C ATOM 1042 CG GLN A 68 -8.772 4.280 -4.047 1.00 0.00 C ATOM 1043 CD GLN A 68 -9.740 5.353 -3.590 1.00 0.00 C ATOM 1044 OE1 GLN A 68 -10.903 5.073 -3.299 1.00 0.00 O ATOM 1045 NE2 GLN A 68 -9.264 6.591 -3.524 1.00 0.00 N ATOM 0 H GLN A 68 -5.584 2.989 -1.736 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.707 1.852 -3.457 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.203 3.897 -2.021 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.000 4.767 -2.952 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.276 4.609 -4.960 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.328 3.376 -4.294 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.293 6.778 -3.775 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.869 7.355 -3.223 1.00 0.00 H new ATOM 1054 N PHE A 69 -6.031 1.738 -5.302 1.00 0.00 N ATOM 1055 CA PHE A 69 -5.212 1.749 -6.509 1.00 0.00 C ATOM 1056 C PHE A 69 -5.823 2.658 -7.572 1.00 0.00 C ATOM 1057 O PHE A 69 -7.026 2.918 -7.586 1.00 0.00 O ATOM 1058 CB PHE A 69 -5.060 0.330 -7.061 1.00 0.00 C ATOM 1059 CG PHE A 69 -4.004 -0.476 -6.361 1.00 0.00 C ATOM 1060 CD1 PHE A 69 -3.913 -0.471 -4.978 1.00 0.00 C ATOM 1061 CD2 PHE A 69 -3.102 -1.238 -7.085 1.00 0.00 C ATOM 1062 CE1 PHE A 69 -2.943 -1.211 -4.330 1.00 0.00 C ATOM 1063 CE2 PHE A 69 -2.129 -1.981 -6.442 1.00 0.00 C ATOM 1064 CZ PHE A 69 -2.049 -1.967 -5.064 1.00 0.00 C ATOM 0 H PHE A 69 -6.543 0.869 -5.147 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.227 2.136 -6.247 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.016 -0.188 -6.978 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.819 0.386 -8.123 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.609 0.119 -4.400 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.159 -1.252 -8.163 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.883 -1.199 -3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.432 -2.572 -7.018 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.289 -2.546 -4.560 1.00 0.00 H new ATOM 1074 N PRO A 70 -4.974 3.153 -8.485 1.00 0.00 N ATOM 1075 CA PRO A 70 -5.407 4.040 -9.569 1.00 0.00 C ATOM 1076 C PRO A 70 -6.256 3.314 -10.608 1.00 0.00 C ATOM 1077 O PRO A 70 -6.371 2.089 -10.586 1.00 0.00 O ATOM 1078 CB PRO A 70 -4.089 4.511 -10.190 1.00 0.00 C ATOM 1079 CG PRO A 70 -3.112 3.433 -9.867 1.00 0.00 C ATOM 1080 CD PRO A 70 -3.527 2.884 -8.530 1.00 0.00 C ATOM 0 HA PRO A 70 -6.036 4.852 -9.205 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.185 4.648 -11.267 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.775 5.468 -9.774 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.124 2.654 -10.629 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.096 3.826 -9.829 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.314 1.818 -8.450 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.001 3.377 -7.712 1.00 0.00 H new