USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 758 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 LYS NZ :NH3+ -173:sc= 1.33! (180deg=0.632!) USER MOD Set 1.2: A 106 THR OG1 : rot 170:sc= 1.04 USER MOD Set 2.1: A 30 GLN : amide:sc= -1.88 K(o=0.15,f=-15!) USER MOD Set 2.2: A 33 LYS NZ :NH3+ -177:sc= 2.02 (180deg=0.574) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= -0.0132 (180deg=-0.137) USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= -0.272 (180deg=-0.363) USER MOD Single : A 40 LYS NZ :NH3+ -133:sc= -0.95 (180deg=-2.44!) USER MOD Single : A 41 SER OG : rot 180:sc= -0.551 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 166:sc= -0.0584 (180deg=-0.372) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0285 X(o=-0.028,f=-0.028) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -152:sc= -0.694 (180deg=-2.17!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.0739 X(o=-0.074,f=0) USER MOD Single : A 83 SER OG : rot -50:sc= 0.0852 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 86 HIS :FLIP no HD1:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 90 GLN : amide:sc= -2.69! C(o=-2.7!,f=-3.5!) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.184 F(o=-1.7!,f=-0.18) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HE2:sc= 1.24 K(o=1.2,f=-5.3!) USER MOD Single : A 108 CYS SG : rot 21:sc= -6.04! USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.212 K(o=-0.21,f=-1.3) USER MOD Single : A 116 TYR OH : rot 30:sc= -0.041 USER MOD Single : A 117 GLN : amide:sc= -1.2 X(o=-1.2,f=-1.3) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot -43:sc= -0.28 USER MOD ----------------------------------------------------------------- ATOM 180 N ARG A 28 2.098 17.507 2.142 1.00 0.00 N ATOM 181 CA ARG A 28 0.805 17.674 1.475 1.00 0.00 C ATOM 182 C ARG A 28 0.738 16.962 0.137 1.00 0.00 C ATOM 183 O ARG A 28 -0.049 16.037 -0.047 1.00 0.00 O ATOM 184 CB ARG A 28 0.551 19.157 1.250 1.00 0.00 C ATOM 185 CG ARG A 28 0.213 19.896 2.515 1.00 0.00 C ATOM 186 CD ARG A 28 -1.292 19.880 2.736 1.00 0.00 C ATOM 187 NE ARG A 28 -1.673 20.249 4.098 1.00 0.00 N ATOM 188 CZ ARG A 28 -2.290 21.388 4.416 1.00 0.00 C ATOM 189 NH1 ARG A 28 -2.510 22.315 3.488 1.00 0.00 N ATOM 190 NH2 ARG A 28 -2.662 21.610 5.670 1.00 0.00 N ATOM 0 HA ARG A 28 0.047 17.233 2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.436 19.607 0.799 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.265 19.276 0.538 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.719 19.434 3.363 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.570 20.924 2.452 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.764 20.567 2.034 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.676 18.884 2.514 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.454 19.596 4.851 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.206 22.157 2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.982 23.184 3.737 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.476 20.910 6.389 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.134 22.480 5.915 1.00 0.00 H new ATOM 204 N ASN A 29 1.580 17.387 -0.783 1.00 0.00 N ATOM 205 CA ASN A 29 1.542 16.861 -2.130 1.00 0.00 C ATOM 206 C ASN A 29 2.453 15.649 -2.227 1.00 0.00 C ATOM 207 O ASN A 29 3.378 15.502 -1.435 1.00 0.00 O ATOM 208 CB ASN A 29 1.950 17.939 -3.132 1.00 0.00 C ATOM 209 CG ASN A 29 3.444 18.232 -3.119 1.00 0.00 C ATOM 210 OD1 ASN A 29 3.927 19.029 -2.310 1.00 0.00 O ATOM 211 ND2 ASN A 29 4.182 17.614 -4.030 1.00 0.00 N ATOM 0 H ASN A 29 2.297 18.094 -0.622 1.00 0.00 H new ATOM 0 HA ASN A 29 0.525 16.552 -2.371 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.656 17.625 -4.134 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.404 18.856 -2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.185 17.791 -4.079 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.747 16.962 -4.682 1.00 0.00 H new ATOM 218 N GLN A 30 2.183 14.793 -3.201 1.00 0.00 N ATOM 219 CA GLN A 30 2.774 13.461 -3.241 1.00 0.00 C ATOM 220 C GLN A 30 4.165 13.445 -3.885 1.00 0.00 C ATOM 221 O GLN A 30 4.300 13.644 -5.094 1.00 0.00 O ATOM 222 CB GLN A 30 1.836 12.513 -3.990 1.00 0.00 C ATOM 223 CG GLN A 30 2.382 11.104 -4.141 1.00 0.00 C ATOM 224 CD GLN A 30 1.424 10.166 -4.853 1.00 0.00 C ATOM 225 OE1 GLN A 30 1.847 9.247 -5.555 1.00 0.00 O ATOM 226 NE2 GLN A 30 0.133 10.377 -4.669 1.00 0.00 N ATOM 0 H GLN A 30 1.555 14.997 -3.979 1.00 0.00 H new ATOM 0 HA GLN A 30 2.904 13.130 -2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.883 12.469 -3.463 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.635 12.923 -4.980 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.321 11.142 -4.693 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.609 10.701 -3.154 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.179 11.149 -4.080 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.552 9.768 -5.116 1.00 0.00 H new ATOM 235 N PRO A 31 5.207 13.216 -3.066 1.00 0.00 N ATOM 236 CA PRO A 31 6.572 12.957 -3.538 1.00 0.00 C ATOM 237 C PRO A 31 6.736 11.515 -4.008 1.00 0.00 C ATOM 238 O PRO A 31 5.748 10.818 -4.242 1.00 0.00 O ATOM 239 CB PRO A 31 7.418 13.235 -2.292 1.00 0.00 C ATOM 240 CG PRO A 31 6.532 12.860 -1.158 1.00 0.00 C ATOM 241 CD PRO A 31 5.135 13.208 -1.592 1.00 0.00 C ATOM 0 HA PRO A 31 6.853 13.567 -4.397 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.335 12.645 -2.293 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.713 14.283 -2.237 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.617 11.797 -0.931 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.806 13.402 -0.253 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.412 12.476 -1.232 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.827 14.178 -1.203 1.00 0.00 H new ATOM 249 N LEU A 32 7.975 11.078 -4.163 1.00 0.00 N ATOM 250 CA LEU A 32 8.271 9.725 -4.613 1.00 0.00 C ATOM 251 C LEU A 32 7.641 8.663 -3.703 1.00 0.00 C ATOM 252 O LEU A 32 7.471 8.868 -2.499 1.00 0.00 O ATOM 253 CB LEU A 32 9.781 9.524 -4.712 1.00 0.00 C ATOM 254 CG LEU A 32 10.443 10.081 -5.982 1.00 0.00 C ATOM 255 CD1 LEU A 32 10.219 11.583 -6.131 1.00 0.00 C ATOM 256 CD2 LEU A 32 11.922 9.778 -5.960 1.00 0.00 C ATOM 0 H LEU A 32 8.802 11.647 -3.982 1.00 0.00 H new ATOM 0 HA LEU A 32 7.828 9.601 -5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.249 9.991 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.992 8.456 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 32 9.979 9.595 -6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.704 11.935 -7.042 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.150 11.788 -6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.643 12.101 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.388 10.174 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.375 10.241 -5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.072 8.699 -5.918 1.00 0.00 H new ATOM 268 N LYS A 33 7.299 7.528 -4.307 1.00 0.00 N ATOM 269 CA LYS A 33 6.544 6.477 -3.631 1.00 0.00 C ATOM 270 C LYS A 33 7.431 5.700 -2.667 1.00 0.00 C ATOM 271 O LYS A 33 8.221 4.854 -3.088 1.00 0.00 O ATOM 272 CB LYS A 33 5.922 5.508 -4.651 1.00 0.00 C ATOM 273 CG LYS A 33 4.606 5.979 -5.279 1.00 0.00 C ATOM 274 CD LYS A 33 4.790 6.726 -6.600 1.00 0.00 C ATOM 275 CE LYS A 33 5.302 8.145 -6.404 1.00 0.00 C ATOM 276 NZ LYS A 33 4.464 8.919 -5.451 1.00 0.00 N ATOM 0 H LYS A 33 7.536 7.311 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 33 5.747 6.959 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.644 5.332 -5.448 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.750 4.550 -4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.964 5.115 -5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.088 6.629 -4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.489 6.176 -7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.839 6.757 -7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.328 8.112 -6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.323 8.658 -7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.821 9.894 -5.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.479 8.931 -5.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.505 8.474 -4.512 1.00 0.00 H new ATOM 290 N LYS A 34 7.295 5.999 -1.382 1.00 0.00 N ATOM 291 CA LYS A 34 8.097 5.350 -0.348 1.00 0.00 C ATOM 292 C LYS A 34 7.340 4.195 0.304 1.00 0.00 C ATOM 293 O LYS A 34 7.939 3.303 0.904 1.00 0.00 O ATOM 294 CB LYS A 34 8.480 6.365 0.734 1.00 0.00 C ATOM 295 CG LYS A 34 9.141 7.624 0.199 1.00 0.00 C ATOM 296 CD LYS A 34 10.483 7.323 -0.441 1.00 0.00 C ATOM 297 CE LYS A 34 11.084 8.568 -1.070 1.00 0.00 C ATOM 298 NZ LYS A 34 11.315 9.649 -0.071 1.00 0.00 N ATOM 0 H LYS A 34 6.634 6.690 -1.027 1.00 0.00 H new ATOM 0 HA LYS A 34 8.993 4.955 -0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.584 6.645 1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.156 5.886 1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.486 8.096 -0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.277 8.337 1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.166 6.926 0.310 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.361 6.551 -1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.029 8.311 -1.549 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.419 8.935 -1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.862 10.417 -0.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.400 10.020 0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.844 9.266 0.739 1.00 0.00 H new ATOM 312 N GLU A 35 6.019 4.213 0.188 1.00 0.00 N ATOM 313 CA GLU A 35 5.190 3.260 0.911 1.00 0.00 C ATOM 314 C GLU A 35 4.665 2.134 0.034 1.00 0.00 C ATOM 315 O GLU A 35 4.780 2.153 -1.190 1.00 0.00 O ATOM 316 CB GLU A 35 4.008 3.957 1.576 1.00 0.00 C ATOM 317 CG GLU A 35 4.378 4.750 2.811 1.00 0.00 C ATOM 318 CD GLU A 35 3.166 5.098 3.646 1.00 0.00 C ATOM 319 OE1 GLU A 35 2.138 4.391 3.530 1.00 0.00 O ATOM 320 OE2 GLU A 35 3.238 6.060 4.436 1.00 0.00 O ATOM 0 H GLU A 35 5.502 4.871 -0.395 1.00 0.00 H new ATOM 0 HA GLU A 35 5.842 2.820 1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.540 4.626 0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.263 3.209 1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.080 4.175 3.414 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.889 5.666 2.514 1.00 0.00 H new ATOM 327 N LYS A 36 4.057 1.179 0.718 1.00 0.00 N ATOM 328 CA LYS A 36 3.495 -0.027 0.126 1.00 0.00 C ATOM 329 C LYS A 36 1.970 0.070 0.127 1.00 0.00 C ATOM 330 O LYS A 36 1.407 0.886 0.854 1.00 0.00 O ATOM 331 CB LYS A 36 3.938 -1.219 0.978 1.00 0.00 C ATOM 332 CG LYS A 36 3.742 -0.952 2.462 1.00 0.00 C ATOM 333 CD LYS A 36 4.198 -2.090 3.343 1.00 0.00 C ATOM 334 CE LYS A 36 4.278 -1.606 4.774 1.00 0.00 C ATOM 335 NZ LYS A 36 4.234 -2.709 5.762 1.00 0.00 N ATOM 0 H LYS A 36 3.937 1.221 1.730 1.00 0.00 H new ATOM 0 HA LYS A 36 3.839 -0.147 -0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.371 -2.104 0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.988 -1.436 0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.288 -0.049 2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.687 -0.756 2.652 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.503 -2.926 3.267 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.171 -2.454 3.014 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.200 -1.041 4.909 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.453 -0.920 4.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.020 -2.323 6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.495 -3.389 5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.156 -3.190 5.786 1.00 0.00 H new ATOM 349 N PRO A 37 1.282 -0.721 -0.713 1.00 0.00 N ATOM 350 CA PRO A 37 -0.183 -0.813 -0.680 1.00 0.00 C ATOM 351 C PRO A 37 -0.707 -1.341 0.654 1.00 0.00 C ATOM 352 O PRO A 37 -0.140 -2.270 1.231 1.00 0.00 O ATOM 353 CB PRO A 37 -0.530 -1.779 -1.810 1.00 0.00 C ATOM 354 CG PRO A 37 0.747 -2.443 -2.204 1.00 0.00 C ATOM 355 CD PRO A 37 1.871 -1.539 -1.783 1.00 0.00 C ATOM 0 HA PRO A 37 -0.641 0.169 -0.799 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.264 -2.514 -1.481 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.968 -1.247 -2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.837 -3.417 -1.724 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.775 -2.614 -3.280 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.729 -2.108 -1.425 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.220 -0.923 -2.611 1.00 0.00 H new ATOM 363 N LYS A 38 -1.795 -0.747 1.131 1.00 0.00 N ATOM 364 CA LYS A 38 -2.342 -1.082 2.442 1.00 0.00 C ATOM 365 C LYS A 38 -3.689 -1.782 2.341 1.00 0.00 C ATOM 366 O LYS A 38 -4.473 -1.494 1.435 1.00 0.00 O ATOM 367 CB LYS A 38 -2.456 0.167 3.316 1.00 0.00 C ATOM 368 CG LYS A 38 -1.127 0.601 3.908 1.00 0.00 C ATOM 369 CD LYS A 38 -0.879 2.092 3.739 1.00 0.00 C ATOM 370 CE LYS A 38 -0.727 2.458 2.274 1.00 0.00 C ATOM 371 NZ LYS A 38 -0.096 3.795 2.097 1.00 0.00 N ATOM 0 H LYS A 38 -2.317 -0.029 0.629 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.646 -1.779 2.909 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.866 0.983 2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.162 -0.025 4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.105 0.349 4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.320 0.044 3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.707 2.653 4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.021 2.378 4.284 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.123 1.702 1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.706 2.453 1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.118 4.059 1.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.619 4.502 2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.891 3.759 2.424 1.00 0.00 H new ATOM 385 N TRP A 39 -3.913 -2.674 3.319 1.00 0.00 N ATOM 386 CA TRP A 39 -5.080 -3.580 3.439 1.00 0.00 C ATOM 387 C TRP A 39 -4.565 -4.989 3.742 1.00 0.00 C ATOM 388 O TRP A 39 -5.294 -5.857 4.228 1.00 0.00 O ATOM 389 CB TRP A 39 -5.979 -3.618 2.185 1.00 0.00 C ATOM 390 CG TRP A 39 -5.556 -4.638 1.163 1.00 0.00 C ATOM 391 CD1 TRP A 39 -4.419 -4.617 0.403 1.00 0.00 C ATOM 392 CD2 TRP A 39 -6.267 -5.825 0.786 1.00 0.00 C ATOM 393 NE1 TRP A 39 -4.385 -5.714 -0.420 1.00 0.00 N ATOM 394 CE2 TRP A 39 -5.504 -6.467 -0.207 1.00 0.00 C ATOM 395 CE3 TRP A 39 -7.470 -6.408 1.190 1.00 0.00 C ATOM 396 CZ2 TRP A 39 -5.905 -7.657 -0.804 1.00 0.00 C ATOM 397 CZ3 TRP A 39 -7.866 -7.592 0.598 1.00 0.00 C ATOM 398 CH2 TRP A 39 -7.086 -8.206 -0.391 1.00 0.00 C ATOM 0 H TRP A 39 -3.255 -2.793 4.089 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.706 -3.194 4.243 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.004 -3.828 2.491 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.980 -2.632 1.721 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -3.660 -3.850 0.445 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.643 -5.932 -1.085 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -8.079 -5.942 1.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.305 -8.130 -1.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -8.794 -8.053 0.903 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -7.425 -9.130 -0.835 1.00 0.00 H new ATOM 409 N LYS A 40 -3.275 -5.177 3.497 1.00 0.00 N ATOM 410 CA LYS A 40 -2.622 -6.470 3.600 1.00 0.00 C ATOM 411 C LYS A 40 -1.622 -6.441 4.750 1.00 0.00 C ATOM 412 O LYS A 40 -1.127 -5.381 5.127 1.00 0.00 O ATOM 413 CB LYS A 40 -1.913 -6.758 2.264 1.00 0.00 C ATOM 414 CG LYS A 40 -0.916 -7.916 2.283 1.00 0.00 C ATOM 415 CD LYS A 40 -1.579 -9.281 2.145 1.00 0.00 C ATOM 416 CE LYS A 40 -2.315 -9.423 0.818 1.00 0.00 C ATOM 417 NZ LYS A 40 -2.603 -10.849 0.490 1.00 0.00 N ATOM 0 H LYS A 40 -2.647 -4.424 3.218 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.349 -7.257 3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.671 -6.966 1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.389 -5.856 1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.200 -7.784 1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.352 -7.886 3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.823 -10.062 2.226 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.280 -9.429 2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.250 -8.865 0.860 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.716 -8.981 0.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.338 -11.038 -0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.054 -11.468 1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.618 -11.037 0.618 1.00 0.00 H new ATOM 431 N SER A 41 -1.356 -7.609 5.316 1.00 0.00 N ATOM 432 CA SER A 41 -0.462 -7.735 6.453 1.00 0.00 C ATOM 433 C SER A 41 0.965 -7.363 6.077 1.00 0.00 C ATOM 434 O SER A 41 1.465 -7.769 5.027 1.00 0.00 O ATOM 435 CB SER A 41 -0.501 -9.174 6.955 1.00 0.00 C ATOM 436 OG SER A 41 -1.814 -9.538 7.345 1.00 0.00 O ATOM 0 H SER A 41 -1.754 -8.493 4.999 1.00 0.00 H new ATOM 0 HA SER A 41 -0.793 -7.051 7.235 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.150 -9.846 6.172 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.178 -9.287 7.800 1.00 0.00 H new ATOM 0 HG SER A 41 -1.816 -10.465 7.662 1.00 0.00 H new ATOM 442 N ASP A 42 1.604 -6.575 6.939 1.00 0.00 N ATOM 443 CA ASP A 42 3.007 -6.221 6.765 1.00 0.00 C ATOM 444 C ASP A 42 3.880 -7.428 7.062 1.00 0.00 C ATOM 445 O ASP A 42 4.986 -7.558 6.541 1.00 0.00 O ATOM 446 CB ASP A 42 3.401 -5.046 7.667 1.00 0.00 C ATOM 447 CG ASP A 42 3.201 -5.321 9.141 1.00 0.00 C ATOM 448 OD1 ASP A 42 2.036 -5.353 9.592 1.00 0.00 O ATOM 449 OD2 ASP A 42 4.205 -5.487 9.856 1.00 0.00 O ATOM 0 H ASP A 42 1.169 -6.169 7.767 1.00 0.00 H new ATOM 0 HA ASP A 42 3.157 -5.911 5.731 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.448 -4.799 7.491 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.815 -4.171 7.386 1.00 0.00 H new ATOM 454 N TYR A 43 3.372 -8.306 7.907 1.00 0.00 N ATOM 455 CA TYR A 43 3.985 -9.600 8.125 1.00 0.00 C ATOM 456 C TYR A 43 2.913 -10.680 8.043 1.00 0.00 C ATOM 457 O TYR A 43 2.366 -11.109 9.062 1.00 0.00 O ATOM 458 CB TYR A 43 4.702 -9.657 9.478 1.00 0.00 C ATOM 459 CG TYR A 43 5.512 -10.924 9.680 1.00 0.00 C ATOM 460 CD1 TYR A 43 6.820 -11.015 9.220 1.00 0.00 C ATOM 461 CD2 TYR A 43 4.970 -12.028 10.325 1.00 0.00 C ATOM 462 CE1 TYR A 43 7.561 -12.171 9.395 1.00 0.00 C ATOM 463 CE2 TYR A 43 5.702 -13.184 10.503 1.00 0.00 C ATOM 464 CZ TYR A 43 6.997 -13.252 10.038 1.00 0.00 C ATOM 465 OH TYR A 43 7.729 -14.405 10.219 1.00 0.00 O ATOM 0 H TYR A 43 2.529 -8.143 8.457 1.00 0.00 H new ATOM 0 HA TYR A 43 4.735 -9.768 7.352 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.363 -8.795 9.567 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.963 -9.576 10.276 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.266 -10.169 8.717 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.956 -11.981 10.694 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.576 -12.226 9.030 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.261 -14.033 11.005 1.00 0.00 H new ATOM 0 HH TYR A 43 7.183 -15.068 10.691 1.00 0.00 H new ATOM 475 N PRO A 44 2.561 -11.101 6.822 1.00 0.00 N ATOM 476 CA PRO A 44 1.585 -12.165 6.608 1.00 0.00 C ATOM 477 C PRO A 44 2.155 -13.516 7.004 1.00 0.00 C ATOM 478 O PRO A 44 3.263 -13.876 6.603 1.00 0.00 O ATOM 479 CB PRO A 44 1.308 -12.118 5.102 1.00 0.00 C ATOM 480 CG PRO A 44 1.954 -10.868 4.608 1.00 0.00 C ATOM 481 CD PRO A 44 3.082 -10.587 5.553 1.00 0.00 C ATOM 0 HA PRO A 44 0.685 -12.030 7.208 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.719 -12.995 4.601 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.237 -12.110 4.902 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.320 -10.994 3.589 1.00 0.00 H new ATOM 0 HG3 PRO A 44 1.244 -10.042 4.591 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.999 -11.095 5.254 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.311 -9.523 5.608 1.00 0.00 H new ATOM 489 N MET A 45 1.406 -14.253 7.802 1.00 0.00 N ATOM 490 CA MET A 45 1.895 -15.507 8.346 1.00 0.00 C ATOM 491 C MET A 45 1.331 -16.712 7.614 1.00 0.00 C ATOM 492 O MET A 45 1.964 -17.240 6.707 1.00 0.00 O ATOM 493 CB MET A 45 1.583 -15.592 9.840 1.00 0.00 C ATOM 494 CG MET A 45 2.358 -14.588 10.669 1.00 0.00 C ATOM 495 SD MET A 45 1.822 -14.531 12.392 1.00 0.00 S ATOM 496 CE MET A 45 2.109 -16.223 12.909 1.00 0.00 C ATOM 0 H MET A 45 0.458 -14.006 8.088 1.00 0.00 H new ATOM 0 HA MET A 45 2.975 -15.524 8.203 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.516 -15.432 9.991 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.808 -16.598 10.195 1.00 0.00 H new ATOM 0 HG2 MET A 45 3.419 -14.837 10.632 1.00 0.00 H new ATOM 0 HG3 MET A 45 2.247 -13.598 10.227 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.064 -16.284 13.996 1.00 0.00 H new ATOM 0 HE2 MET A 45 1.345 -16.870 12.477 1.00 0.00 H new ATOM 0 HE3 MET A 45 3.093 -16.546 12.568 1.00 0.00 H new ATOM 506 N THR A 46 0.180 -17.187 8.041 1.00 0.00 N ATOM 507 CA THR A 46 -0.435 -18.318 7.382 1.00 0.00 C ATOM 508 C THR A 46 -1.803 -17.949 6.801 1.00 0.00 C ATOM 509 O THR A 46 -2.252 -16.807 6.952 1.00 0.00 O ATOM 510 CB THR A 46 -0.544 -19.510 8.345 1.00 0.00 C ATOM 511 OG1 THR A 46 -1.404 -19.179 9.446 1.00 0.00 O ATOM 512 CG2 THR A 46 0.830 -19.893 8.879 1.00 0.00 C ATOM 0 H THR A 46 -0.343 -16.812 8.832 1.00 0.00 H new ATOM 0 HA THR A 46 0.204 -18.611 6.549 1.00 0.00 H new ATOM 0 HB THR A 46 -0.962 -20.354 7.797 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.468 -19.946 10.053 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.733 -20.739 9.559 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.480 -20.168 8.048 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.262 -19.046 9.412 1.00 0.00 H new ATOM 520 N ASP A 47 -2.458 -18.910 6.152 1.00 0.00 N ATOM 521 CA ASP A 47 -3.761 -18.684 5.524 1.00 0.00 C ATOM 522 C ASP A 47 -4.778 -18.121 6.512 1.00 0.00 C ATOM 523 O ASP A 47 -5.451 -17.138 6.214 1.00 0.00 O ATOM 524 CB ASP A 47 -4.296 -19.987 4.923 1.00 0.00 C ATOM 525 CG ASP A 47 -5.704 -19.846 4.375 1.00 0.00 C ATOM 526 OD1 ASP A 47 -5.861 -19.499 3.186 1.00 0.00 O ATOM 527 OD2 ASP A 47 -6.667 -20.094 5.128 1.00 0.00 O ATOM 0 H ASP A 47 -2.105 -19.861 6.046 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.615 -17.948 4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.631 -20.313 4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.284 -20.766 5.686 1.00 0.00 H new ATOM 532 N GLY A 48 -4.875 -18.735 7.690 1.00 0.00 N ATOM 533 CA GLY A 48 -5.841 -18.301 8.691 1.00 0.00 C ATOM 534 C GLY A 48 -5.639 -16.854 9.109 1.00 0.00 C ATOM 535 O GLY A 48 -6.604 -16.134 9.381 1.00 0.00 O ATOM 0 H GLY A 48 -4.300 -19.529 7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.849 -18.424 8.295 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.763 -18.943 9.568 1.00 0.00 H new ATOM 539 N GLN A 49 -4.388 -16.426 9.156 1.00 0.00 N ATOM 540 CA GLN A 49 -4.076 -15.038 9.454 1.00 0.00 C ATOM 541 C GLN A 49 -4.491 -14.167 8.291 1.00 0.00 C ATOM 542 O GLN A 49 -5.225 -13.205 8.463 1.00 0.00 O ATOM 543 CB GLN A 49 -2.583 -14.861 9.721 1.00 0.00 C ATOM 544 CG GLN A 49 -2.072 -15.730 10.847 1.00 0.00 C ATOM 545 CD GLN A 49 -2.664 -15.355 12.188 1.00 0.00 C ATOM 546 OE1 GLN A 49 -2.144 -14.488 12.887 1.00 0.00 O ATOM 547 NE2 GLN A 49 -3.734 -16.030 12.566 1.00 0.00 N ATOM 0 H GLN A 49 -3.574 -17.018 8.992 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.623 -14.744 10.350 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.028 -15.092 8.812 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.384 -13.816 9.959 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.305 -16.773 10.630 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.986 -15.650 10.898 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.131 -16.741 11.952 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.163 -15.840 13.472 1.00 0.00 H new ATOM 556 N LEU A 50 -4.039 -14.552 7.104 1.00 0.00 N ATOM 557 CA LEU A 50 -4.295 -13.795 5.889 1.00 0.00 C ATOM 558 C LEU A 50 -5.792 -13.593 5.682 1.00 0.00 C ATOM 559 O LEU A 50 -6.229 -12.483 5.425 1.00 0.00 O ATOM 560 CB LEU A 50 -3.662 -14.518 4.689 1.00 0.00 C ATOM 561 CG LEU A 50 -3.604 -13.728 3.369 1.00 0.00 C ATOM 562 CD1 LEU A 50 -4.953 -13.724 2.658 1.00 0.00 C ATOM 563 CD2 LEU A 50 -3.130 -12.302 3.623 1.00 0.00 C ATOM 0 H LEU A 50 -3.486 -15.397 6.958 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.842 -12.808 5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.646 -14.806 4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.218 -15.439 4.512 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.888 -14.226 2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.874 -13.157 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.249 -14.749 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.702 -13.263 3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.095 -11.757 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.821 -11.805 4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.135 -12.323 4.068 1.00 0.00 H new ATOM 575 N ARG A 51 -6.562 -14.666 5.810 1.00 0.00 N ATOM 576 CA ARG A 51 -8.005 -14.617 5.594 1.00 0.00 C ATOM 577 C ARG A 51 -8.695 -13.693 6.603 1.00 0.00 C ATOM 578 O ARG A 51 -9.490 -12.835 6.221 1.00 0.00 O ATOM 579 CB ARG A 51 -8.606 -16.018 5.701 1.00 0.00 C ATOM 580 CG ARG A 51 -8.337 -16.657 7.044 1.00 0.00 C ATOM 581 CD ARG A 51 -9.188 -17.891 7.286 1.00 0.00 C ATOM 582 NE ARG A 51 -8.878 -18.965 6.342 1.00 0.00 N ATOM 583 CZ ARG A 51 -9.660 -20.020 6.122 1.00 0.00 C ATOM 584 NH1 ARG A 51 -10.817 -20.147 6.761 1.00 0.00 N ATOM 585 NH2 ARG A 51 -9.271 -20.950 5.257 1.00 0.00 N ATOM 0 H ARG A 51 -6.209 -15.589 6.064 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.171 -14.220 4.592 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.682 -15.963 5.537 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.195 -16.648 4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.283 -16.929 7.108 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.527 -15.929 7.833 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.030 -18.246 8.304 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.242 -17.627 7.201 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.005 -18.901 5.818 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.113 -19.433 7.427 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.410 -20.959 6.586 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.381 -20.852 4.769 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.862 -21.762 5.081 1.00 0.00 H new ATOM 599 N SER A 52 -8.381 -13.865 7.889 1.00 0.00 N ATOM 600 CA SER A 52 -9.040 -13.097 8.932 1.00 0.00 C ATOM 601 C SER A 52 -8.615 -11.648 8.818 1.00 0.00 C ATOM 602 O SER A 52 -9.444 -10.735 8.836 1.00 0.00 O ATOM 603 CB SER A 52 -8.694 -13.660 10.314 1.00 0.00 C ATOM 604 OG SER A 52 -9.435 -13.015 11.337 1.00 0.00 O ATOM 0 H SER A 52 -7.680 -14.525 8.225 1.00 0.00 H new ATOM 0 HA SER A 52 -10.121 -13.166 8.809 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.899 -14.730 10.334 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.628 -13.536 10.502 1.00 0.00 H new ATOM 0 HG SER A 52 -9.193 -13.397 12.206 1.00 0.00 H new ATOM 610 N LYS A 53 -7.313 -11.451 8.678 1.00 0.00 N ATOM 611 CA LYS A 53 -6.752 -10.145 8.427 1.00 0.00 C ATOM 612 C LYS A 53 -7.380 -9.491 7.187 1.00 0.00 C ATOM 613 O LYS A 53 -7.712 -8.303 7.202 1.00 0.00 O ATOM 614 CB LYS A 53 -5.247 -10.301 8.240 1.00 0.00 C ATOM 615 CG LYS A 53 -4.427 -9.491 9.218 1.00 0.00 C ATOM 616 CD LYS A 53 -4.714 -8.024 9.035 1.00 0.00 C ATOM 617 CE LYS A 53 -4.673 -7.658 7.562 1.00 0.00 C ATOM 618 NZ LYS A 53 -5.164 -6.278 7.319 1.00 0.00 N ATOM 0 H LYS A 53 -6.620 -12.197 8.736 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.965 -9.493 9.274 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.984 -11.354 8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.983 -10.004 7.225 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.661 -9.792 10.239 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.365 -9.685 9.064 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.693 -7.784 9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.982 -7.432 9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.651 -7.750 7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.280 -8.364 6.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.566 -6.216 6.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.897 -6.042 8.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.374 -5.608 7.406 1.00 0.00 H new ATOM 632 N ARG A 54 -7.525 -10.269 6.119 1.00 0.00 N ATOM 633 CA ARG A 54 -8.098 -9.783 4.864 1.00 0.00 C ATOM 634 C ARG A 54 -9.525 -9.297 5.060 1.00 0.00 C ATOM 635 O ARG A 54 -9.851 -8.167 4.710 1.00 0.00 O ATOM 636 CB ARG A 54 -8.068 -10.892 3.805 1.00 0.00 C ATOM 637 CG ARG A 54 -8.912 -10.611 2.571 1.00 0.00 C ATOM 638 CD ARG A 54 -8.896 -11.793 1.612 1.00 0.00 C ATOM 639 NE ARG A 54 -9.897 -11.663 0.551 1.00 0.00 N ATOM 640 CZ ARG A 54 -10.031 -12.527 -0.459 1.00 0.00 C ATOM 641 NH1 ARG A 54 -9.214 -13.568 -0.566 1.00 0.00 N ATOM 642 NH2 ARG A 54 -10.991 -12.350 -1.359 1.00 0.00 N ATOM 0 H ARG A 54 -7.250 -11.251 6.097 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.494 -8.941 4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.036 -11.052 3.494 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.411 -11.821 4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.938 -10.396 2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.535 -9.723 2.064 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.906 -11.882 1.165 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.078 -12.712 2.169 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.530 -10.864 0.585 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.478 -13.712 0.126 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.322 -14.224 -1.340 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.625 -11.555 -1.279 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.094 -13.009 -2.131 1.00 0.00 H new ATOM 656 N ASP A 55 -10.357 -10.149 5.639 1.00 0.00 N ATOM 657 CA ASP A 55 -11.771 -9.851 5.814 1.00 0.00 C ATOM 658 C ASP A 55 -11.959 -8.632 6.702 1.00 0.00 C ATOM 659 O ASP A 55 -12.674 -7.693 6.346 1.00 0.00 O ATOM 660 CB ASP A 55 -12.464 -11.058 6.432 1.00 0.00 C ATOM 661 CG ASP A 55 -13.944 -10.834 6.650 1.00 0.00 C ATOM 662 OD1 ASP A 55 -14.727 -11.075 5.707 1.00 0.00 O ATOM 663 OD2 ASP A 55 -14.335 -10.434 7.764 1.00 0.00 O ATOM 0 H ASP A 55 -10.074 -11.061 5.999 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.210 -9.633 4.841 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -12.323 -11.923 5.784 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -11.992 -11.294 7.386 1.00 0.00 H new ATOM 668 N GLU A 56 -11.286 -8.655 7.844 1.00 0.00 N ATOM 669 CA GLU A 56 -11.334 -7.566 8.814 1.00 0.00 C ATOM 670 C GLU A 56 -11.029 -6.228 8.160 1.00 0.00 C ATOM 671 O GLU A 56 -11.762 -5.251 8.341 1.00 0.00 O ATOM 672 CB GLU A 56 -10.324 -7.824 9.931 1.00 0.00 C ATOM 673 CG GLU A 56 -10.297 -6.742 10.996 1.00 0.00 C ATOM 674 CD GLU A 56 -9.103 -6.870 11.917 1.00 0.00 C ATOM 675 OE1 GLU A 56 -9.198 -7.591 12.932 1.00 0.00 O ATOM 676 OE2 GLU A 56 -8.060 -6.251 11.631 1.00 0.00 O ATOM 0 H GLU A 56 -10.688 -9.432 8.126 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.343 -7.526 9.224 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.554 -8.779 10.403 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.329 -7.916 9.495 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.279 -5.764 10.516 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.213 -6.792 11.584 1.00 0.00 H new ATOM 683 N PHE A 57 -9.945 -6.185 7.402 1.00 0.00 N ATOM 684 CA PHE A 57 -9.523 -4.945 6.783 1.00 0.00 C ATOM 685 C PHE A 57 -10.413 -4.610 5.596 1.00 0.00 C ATOM 686 O PHE A 57 -10.737 -3.453 5.382 1.00 0.00 O ATOM 687 CB PHE A 57 -8.070 -5.022 6.324 1.00 0.00 C ATOM 688 CG PHE A 57 -7.401 -3.672 6.240 1.00 0.00 C ATOM 689 CD1 PHE A 57 -7.735 -2.769 5.241 1.00 0.00 C ATOM 690 CD2 PHE A 57 -6.445 -3.303 7.173 1.00 0.00 C ATOM 691 CE1 PHE A 57 -7.127 -1.530 5.175 1.00 0.00 C ATOM 692 CE2 PHE A 57 -5.834 -2.065 7.110 1.00 0.00 C ATOM 693 CZ PHE A 57 -6.175 -1.177 6.110 1.00 0.00 C ATOM 0 H PHE A 57 -9.348 -6.988 7.203 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.610 -4.159 7.533 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.511 -5.655 7.013 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.030 -5.502 5.346 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.479 -3.038 4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.174 -3.992 7.959 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -7.397 -0.837 4.391 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.090 -1.792 7.843 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.699 -0.209 6.059 1.00 0.00 H new ATOM 703 N TRP A 58 -10.798 -5.625 4.828 1.00 0.00 N ATOM 704 CA TRP A 58 -11.651 -5.427 3.653 1.00 0.00 C ATOM 705 C TRP A 58 -12.927 -4.671 4.014 1.00 0.00 C ATOM 706 O TRP A 58 -13.444 -3.896 3.216 1.00 0.00 O ATOM 707 CB TRP A 58 -12.017 -6.761 2.997 1.00 0.00 C ATOM 708 CG TRP A 58 -11.595 -6.864 1.557 1.00 0.00 C ATOM 709 CD1 TRP A 58 -11.230 -8.001 0.898 1.00 0.00 C ATOM 710 CD2 TRP A 58 -11.483 -5.794 0.602 1.00 0.00 C ATOM 711 NE1 TRP A 58 -10.905 -7.709 -0.406 1.00 0.00 N ATOM 712 CE2 TRP A 58 -11.048 -6.363 -0.610 1.00 0.00 C ATOM 713 CE3 TRP A 58 -11.711 -4.414 0.650 1.00 0.00 C ATOM 714 CZ2 TRP A 58 -10.833 -5.600 -1.756 1.00 0.00 C ATOM 715 CZ3 TRP A 58 -11.495 -3.661 -0.485 1.00 0.00 C ATOM 716 CH2 TRP A 58 -11.062 -4.254 -1.674 1.00 0.00 C ATOM 0 H TRP A 58 -10.534 -6.596 4.996 1.00 0.00 H new ATOM 0 HA TRP A 58 -11.077 -4.832 2.943 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -11.555 -7.571 3.560 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -13.096 -6.903 3.061 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -11.200 -8.987 1.337 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -10.606 -8.386 -1.108 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -12.051 -3.946 1.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -10.498 -6.055 -2.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -11.663 -2.595 -0.454 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -10.905 -3.637 -2.546 1.00 0.00 H new ATOM 727 N ASP A 59 -13.426 -4.898 5.219 1.00 0.00 N ATOM 728 CA ASP A 59 -14.598 -4.183 5.716 1.00 0.00 C ATOM 729 C ASP A 59 -14.322 -2.691 5.867 1.00 0.00 C ATOM 730 O ASP A 59 -15.235 -1.869 5.806 1.00 0.00 O ATOM 731 CB ASP A 59 -15.023 -4.728 7.072 1.00 0.00 C ATOM 732 CG ASP A 59 -15.649 -6.107 6.998 1.00 0.00 C ATOM 733 OD1 ASP A 59 -16.595 -6.299 6.204 1.00 0.00 O ATOM 734 OD2 ASP A 59 -15.210 -7.001 7.745 1.00 0.00 O ATOM 0 H ASP A 59 -13.038 -5.575 5.876 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.392 -4.330 4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.154 -4.767 7.728 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.735 -4.038 7.526 1.00 0.00 H new ATOM 739 N THR A 60 -13.059 -2.349 6.062 1.00 0.00 N ATOM 740 CA THR A 60 -12.679 -0.986 6.390 1.00 0.00 C ATOM 741 C THR A 60 -11.956 -0.301 5.226 1.00 0.00 C ATOM 742 O THR A 60 -12.074 0.910 5.049 1.00 0.00 O ATOM 743 CB THR A 60 -11.767 -0.982 7.632 1.00 0.00 C ATOM 744 OG1 THR A 60 -12.327 -1.837 8.641 1.00 0.00 O ATOM 745 CG2 THR A 60 -11.601 0.422 8.194 1.00 0.00 C ATOM 0 H THR A 60 -12.277 -3.000 5.998 1.00 0.00 H new ATOM 0 HA THR A 60 -13.593 -0.429 6.595 1.00 0.00 H new ATOM 0 HB THR A 60 -10.785 -1.348 7.333 1.00 0.00 H new ATOM 0 HG1 THR A 60 -11.746 -1.836 9.430 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.952 0.389 9.069 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.156 1.067 7.436 1.00 0.00 H new ATOM 0 HG23 THR A 60 -12.576 0.817 8.480 1.00 0.00 H new ATOM 753 N ALA A 61 -11.240 -1.092 4.423 1.00 0.00 N ATOM 754 CA ALA A 61 -10.398 -0.571 3.339 1.00 0.00 C ATOM 755 C ALA A 61 -11.121 0.436 2.430 1.00 0.00 C ATOM 756 O ALA A 61 -10.651 1.560 2.269 1.00 0.00 O ATOM 757 CB ALA A 61 -9.821 -1.721 2.518 1.00 0.00 C ATOM 0 H ALA A 61 -11.226 -2.109 4.504 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.587 -0.019 3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.199 -1.320 1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.217 -2.360 3.162 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.635 -2.305 2.087 1.00 0.00 H new ATOM 763 N PRO A 62 -12.258 0.067 1.808 1.00 0.00 N ATOM 764 CA PRO A 62 -12.970 0.957 0.899 1.00 0.00 C ATOM 765 C PRO A 62 -14.003 1.836 1.608 1.00 0.00 C ATOM 766 O PRO A 62 -14.539 2.778 1.025 1.00 0.00 O ATOM 767 CB PRO A 62 -13.644 -0.036 -0.041 1.00 0.00 C ATOM 768 CG PRO A 62 -14.004 -1.183 0.839 1.00 0.00 C ATOM 769 CD PRO A 62 -12.947 -1.239 1.916 1.00 0.00 C ATOM 0 HA PRO A 62 -12.313 1.675 0.408 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.526 0.397 -0.512 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -12.973 -0.344 -0.843 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -14.994 -1.044 1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -14.032 -2.114 0.273 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.389 -1.377 2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.258 -2.068 1.757 1.00 0.00 H new ATOM 822 N GLY A 66 -15.369 8.279 -0.857 1.00 0.00 N ATOM 823 CA GLY A 66 -14.545 9.084 -1.725 1.00 0.00 C ATOM 824 C GLY A 66 -15.294 9.572 -2.943 1.00 0.00 C ATOM 825 O GLY A 66 -16.341 10.206 -2.820 1.00 0.00 O ATOM 0 HA2 GLY A 66 -14.165 9.941 -1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -13.680 8.502 -2.043 1.00 0.00 H new ATOM 829 N ARG A 67 -14.771 9.257 -4.117 1.00 0.00 N ATOM 830 CA ARG A 67 -15.328 9.749 -5.362 1.00 0.00 C ATOM 831 C ARG A 67 -14.876 8.871 -6.524 1.00 0.00 C ATOM 832 O ARG A 67 -13.698 8.540 -6.643 1.00 0.00 O ATOM 833 CB ARG A 67 -14.885 11.193 -5.573 1.00 0.00 C ATOM 834 CG ARG A 67 -15.739 11.950 -6.563 1.00 0.00 C ATOM 835 CD ARG A 67 -15.742 13.424 -6.232 1.00 0.00 C ATOM 836 NE ARG A 67 -16.659 14.184 -7.073 1.00 0.00 N ATOM 837 CZ ARG A 67 -17.705 14.856 -6.603 1.00 0.00 C ATOM 838 NH1 ARG A 67 -18.071 14.721 -5.332 1.00 0.00 N ATOM 839 NH2 ARG A 67 -18.413 15.626 -7.418 1.00 0.00 N ATOM 0 H ARG A 67 -13.954 8.657 -4.231 1.00 0.00 H new ATOM 0 HA ARG A 67 -16.416 9.713 -5.315 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -14.905 11.714 -4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -13.851 11.200 -5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -15.359 11.798 -7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -16.758 11.564 -6.545 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -16.018 13.557 -5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -14.734 13.821 -6.349 1.00 0.00 H new ATOM 0 HE ARG A 67 -16.488 14.201 -8.078 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -17.549 14.100 -4.714 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -18.874 15.238 -4.975 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -18.154 15.701 -8.402 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -19.216 16.143 -7.061 1.00 0.00 H new ATOM 853 N LYS A 68 -15.818 8.499 -7.377 1.00 0.00 N ATOM 854 CA LYS A 68 -15.548 7.584 -8.482 1.00 0.00 C ATOM 855 C LYS A 68 -14.844 8.298 -9.625 1.00 0.00 C ATOM 856 O LYS A 68 -14.137 7.677 -10.418 1.00 0.00 O ATOM 857 CB LYS A 68 -16.853 6.978 -8.994 1.00 0.00 C ATOM 858 CG LYS A 68 -17.637 6.229 -7.932 1.00 0.00 C ATOM 859 CD LYS A 68 -16.906 4.983 -7.470 1.00 0.00 C ATOM 860 CE LYS A 68 -17.728 4.211 -6.458 1.00 0.00 C ATOM 861 NZ LYS A 68 -17.066 2.939 -6.058 1.00 0.00 N ATOM 0 H LYS A 68 -16.785 8.819 -7.326 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.897 6.794 -8.109 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.478 7.773 -9.400 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -16.629 6.297 -9.815 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.813 6.885 -7.079 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.614 5.952 -8.328 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.688 4.346 -8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.949 5.262 -7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.890 4.829 -5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.710 3.993 -6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.661 2.441 -5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.934 2.338 -6.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.140 3.148 -5.633 1.00 0.00 H new ATOM 875 N GLU A 69 -15.054 9.602 -9.708 1.00 0.00 N ATOM 876 CA GLU A 69 -14.474 10.410 -10.774 1.00 0.00 C ATOM 877 C GLU A 69 -12.949 10.301 -10.787 1.00 0.00 C ATOM 878 O GLU A 69 -12.349 9.975 -11.812 1.00 0.00 O ATOM 879 CB GLU A 69 -14.894 11.872 -10.615 1.00 0.00 C ATOM 880 CG GLU A 69 -16.386 12.044 -10.383 1.00 0.00 C ATOM 881 CD GLU A 69 -16.844 13.480 -10.533 1.00 0.00 C ATOM 882 OE1 GLU A 69 -16.452 14.326 -9.705 1.00 0.00 O ATOM 883 OE2 GLU A 69 -17.599 13.772 -11.483 1.00 0.00 O ATOM 0 H GLU A 69 -15.625 10.128 -9.047 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.848 10.030 -11.725 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.350 12.311 -9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.606 12.425 -11.509 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.933 11.418 -11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -16.636 11.691 -9.383 1.00 0.00 H new ATOM 890 N ILE A 70 -12.335 10.553 -9.635 1.00 0.00 N ATOM 891 CA ILE A 70 -10.881 10.518 -9.509 1.00 0.00 C ATOM 892 C ILE A 70 -10.334 9.096 -9.656 1.00 0.00 C ATOM 893 O ILE A 70 -9.165 8.910 -9.990 1.00 0.00 O ATOM 894 CB ILE A 70 -10.401 11.092 -8.159 1.00 0.00 C ATOM 895 CG1 ILE A 70 -8.869 11.214 -8.155 1.00 0.00 C ATOM 896 CG2 ILE A 70 -10.893 10.226 -7.007 1.00 0.00 C ATOM 897 CD1 ILE A 70 -8.224 10.946 -6.813 1.00 0.00 C ATOM 0 H ILE A 70 -12.825 10.785 -8.771 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.498 11.141 -10.318 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.821 12.089 -8.025 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.459 10.518 -8.887 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.596 12.217 -8.482 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.546 10.645 -6.063 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.983 10.198 -7.012 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.503 9.214 -7.120 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.143 11.054 -6.901 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.601 11.658 -6.079 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.463 9.932 -6.491 1.00 0.00 H new ATOM 909 N TRP A 71 -11.175 8.096 -9.397 1.00 0.00 N ATOM 910 CA TRP A 71 -10.758 6.698 -9.468 1.00 0.00 C ATOM 911 C TRP A 71 -10.063 6.388 -10.793 1.00 0.00 C ATOM 912 O TRP A 71 -9.127 5.591 -10.840 1.00 0.00 O ATOM 913 CB TRP A 71 -11.961 5.778 -9.291 1.00 0.00 C ATOM 914 CG TRP A 71 -11.977 5.053 -7.982 1.00 0.00 C ATOM 915 CD1 TRP A 71 -12.920 5.152 -6.999 1.00 0.00 C ATOM 916 CD2 TRP A 71 -11.001 4.116 -7.510 1.00 0.00 C ATOM 917 NE1 TRP A 71 -12.592 4.326 -5.951 1.00 0.00 N ATOM 918 CE2 TRP A 71 -11.418 3.683 -6.239 1.00 0.00 C ATOM 919 CE3 TRP A 71 -9.815 3.601 -8.043 1.00 0.00 C ATOM 920 CZ2 TRP A 71 -10.691 2.757 -5.492 1.00 0.00 C ATOM 921 CZ3 TRP A 71 -9.096 2.683 -7.300 1.00 0.00 C ATOM 922 CH2 TRP A 71 -9.536 2.270 -6.039 1.00 0.00 C ATOM 0 H TRP A 71 -12.152 8.229 -9.135 1.00 0.00 H new ATOM 0 HA TRP A 71 -10.046 6.525 -8.661 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -12.874 6.367 -9.381 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.971 5.048 -10.101 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -13.794 5.785 -7.039 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.136 4.210 -5.096 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.467 3.914 -9.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.028 2.436 -4.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -8.179 2.278 -7.701 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -8.951 1.551 -5.485 1.00 0.00 H new ATOM 933 N ASP A 72 -10.515 7.041 -11.861 1.00 0.00 N ATOM 934 CA ASP A 72 -9.906 6.884 -13.179 1.00 0.00 C ATOM 935 C ASP A 72 -8.418 7.226 -13.134 1.00 0.00 C ATOM 936 O ASP A 72 -7.590 6.536 -13.733 1.00 0.00 O ATOM 937 CB ASP A 72 -10.604 7.789 -14.191 1.00 0.00 C ATOM 938 CG ASP A 72 -10.108 7.570 -15.606 1.00 0.00 C ATOM 939 OD1 ASP A 72 -9.124 8.219 -16.011 1.00 0.00 O ATOM 940 OD2 ASP A 72 -10.713 6.750 -16.326 1.00 0.00 O ATOM 0 H ASP A 72 -11.304 7.687 -11.839 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.019 5.843 -13.482 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.678 7.609 -14.154 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.446 8.831 -13.911 1.00 0.00 H new ATOM 945 N ALA A 73 -8.090 8.271 -12.382 1.00 0.00 N ATOM 946 CA ALA A 73 -6.721 8.747 -12.287 1.00 0.00 C ATOM 947 C ALA A 73 -5.892 7.797 -11.438 1.00 0.00 C ATOM 948 O ALA A 73 -4.680 7.683 -11.618 1.00 0.00 O ATOM 949 CB ALA A 73 -6.692 10.150 -11.700 1.00 0.00 C ATOM 0 H ALA A 73 -8.760 8.805 -11.828 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.291 8.782 -13.288 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.660 10.496 -11.634 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.260 10.824 -12.341 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.135 10.137 -10.704 1.00 0.00 H new ATOM 955 N LEU A 74 -6.554 7.101 -10.524 1.00 0.00 N ATOM 956 CA LEU A 74 -5.874 6.166 -9.644 1.00 0.00 C ATOM 957 C LEU A 74 -5.373 4.965 -10.418 1.00 0.00 C ATOM 958 O LEU A 74 -4.240 4.527 -10.231 1.00 0.00 O ATOM 959 CB LEU A 74 -6.782 5.722 -8.503 1.00 0.00 C ATOM 960 CG LEU A 74 -7.284 6.846 -7.603 1.00 0.00 C ATOM 961 CD1 LEU A 74 -7.920 6.272 -6.354 1.00 0.00 C ATOM 962 CD2 LEU A 74 -6.154 7.797 -7.247 1.00 0.00 C ATOM 0 H LEU A 74 -7.561 7.167 -10.374 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.016 6.682 -9.213 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.643 5.203 -8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.243 5.000 -7.890 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.040 7.413 -8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.274 7.085 -5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.760 5.636 -6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.184 5.681 -5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.535 8.591 -6.605 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.370 7.251 -6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.745 8.233 -8.158 1.00 0.00 H new ATOM 974 N LYS A 75 -6.212 4.447 -11.303 1.00 0.00 N ATOM 975 CA LYS A 75 -5.831 3.316 -12.136 1.00 0.00 C ATOM 976 C LYS A 75 -4.704 3.723 -13.068 1.00 0.00 C ATOM 977 O LYS A 75 -3.723 3.006 -13.222 1.00 0.00 O ATOM 978 CB LYS A 75 -7.010 2.836 -12.972 1.00 0.00 C ATOM 979 CG LYS A 75 -8.352 3.048 -12.311 1.00 0.00 C ATOM 980 CD LYS A 75 -9.481 2.758 -13.282 1.00 0.00 C ATOM 981 CE LYS A 75 -9.354 3.568 -14.560 1.00 0.00 C ATOM 982 NZ LYS A 75 -10.314 3.122 -15.602 1.00 0.00 N ATOM 0 H LYS A 75 -7.159 4.791 -11.463 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.506 2.507 -11.482 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.001 3.357 -13.929 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.884 1.775 -13.185 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.440 2.399 -11.439 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.428 4.075 -11.953 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.486 1.695 -13.525 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.436 2.980 -12.805 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.523 4.622 -14.339 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.337 3.482 -14.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.193 3.702 -16.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.137 2.124 -15.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.286 3.228 -15.247 1.00 0.00 H new ATOM 996 N ALA A 76 -4.873 4.885 -13.693 1.00 0.00 N ATOM 997 CA ALA A 76 -3.868 5.433 -14.601 1.00 0.00 C ATOM 998 C ALA A 76 -2.516 5.612 -13.906 1.00 0.00 C ATOM 999 O ALA A 76 -1.469 5.276 -14.467 1.00 0.00 O ATOM 1000 CB ALA A 76 -4.345 6.760 -15.175 1.00 0.00 C ATOM 0 H ALA A 76 -5.702 5.469 -13.586 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.731 4.719 -15.413 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.587 7.158 -15.850 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.274 6.606 -15.723 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.515 7.467 -14.363 1.00 0.00 H new ATOM 1006 N ALA A 77 -2.536 6.139 -12.688 1.00 0.00 N ATOM 1007 CA ALA A 77 -1.305 6.327 -11.932 1.00 0.00 C ATOM 1008 C ALA A 77 -0.709 4.994 -11.540 1.00 0.00 C ATOM 1009 O ALA A 77 0.470 4.743 -11.792 1.00 0.00 O ATOM 1010 CB ALA A 77 -1.541 7.169 -10.697 1.00 0.00 C ATOM 0 H ALA A 77 -3.383 6.441 -12.206 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.602 6.854 -12.577 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.603 7.291 -10.155 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.920 8.148 -10.991 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.270 6.676 -10.054 1.00 0.00 H new ATOM 1016 N ALA A 78 -1.520 4.148 -10.919 1.00 0.00 N ATOM 1017 CA ALA A 78 -1.116 2.782 -10.613 1.00 0.00 C ATOM 1018 C ALA A 78 -0.544 2.107 -11.850 1.00 0.00 C ATOM 1019 O ALA A 78 0.405 1.349 -11.759 1.00 0.00 O ATOM 1020 CB ALA A 78 -2.297 1.984 -10.076 1.00 0.00 C ATOM 0 H ALA A 78 -2.465 4.385 -10.616 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.342 2.817 -9.846 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.977 0.966 -9.853 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.671 2.455 -9.167 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.090 1.959 -10.824 1.00 0.00 H new ATOM 1026 N HIS A 79 -1.104 2.436 -13.008 1.00 0.00 N ATOM 1027 CA HIS A 79 -0.681 1.857 -14.276 1.00 0.00 C ATOM 1028 C HIS A 79 0.784 2.181 -14.542 1.00 0.00 C ATOM 1029 O HIS A 79 1.587 1.286 -14.806 1.00 0.00 O ATOM 1030 CB HIS A 79 -1.571 2.392 -15.407 1.00 0.00 C ATOM 1031 CG HIS A 79 -1.279 1.811 -16.752 1.00 0.00 C ATOM 1032 ND1 HIS A 79 -2.053 0.834 -17.335 1.00 0.00 N ATOM 1033 CD2 HIS A 79 -0.303 2.098 -17.641 1.00 0.00 C ATOM 1034 CE1 HIS A 79 -1.564 0.545 -18.526 1.00 0.00 C ATOM 1035 NE2 HIS A 79 -0.504 1.300 -18.736 1.00 0.00 N ATOM 0 H HIS A 79 -1.864 3.111 -13.094 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.784 0.773 -14.230 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -2.613 2.193 -15.157 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.458 3.475 -15.460 1.00 0.00 H new ATOM 0 HD2 HIS A 79 0.488 2.822 -17.512 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -1.964 -0.186 -19.213 1.00 0.00 H new ATOM 0 HE2 HIS A 79 0.073 1.291 -19.577 1.00 0.00 H new ATOM 1044 N ALA A 80 1.128 3.459 -14.461 1.00 0.00 N ATOM 1045 CA ALA A 80 2.505 3.882 -14.648 1.00 0.00 C ATOM 1046 C ALA A 80 3.379 3.385 -13.509 1.00 0.00 C ATOM 1047 O ALA A 80 4.411 2.758 -13.743 1.00 0.00 O ATOM 1048 CB ALA A 80 2.594 5.388 -14.748 1.00 0.00 C ATOM 0 H ALA A 80 0.473 4.217 -14.268 1.00 0.00 H new ATOM 0 HA ALA A 80 2.865 3.448 -15.581 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.634 5.683 -14.888 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.002 5.732 -15.596 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.210 5.837 -13.832 1.00 0.00 H new ATOM 1054 N PHE A 81 2.960 3.672 -12.277 1.00 0.00 N ATOM 1055 CA PHE A 81 3.685 3.222 -11.089 1.00 0.00 C ATOM 1056 C PHE A 81 3.971 1.711 -11.133 1.00 0.00 C ATOM 1057 O PHE A 81 5.033 1.263 -10.695 1.00 0.00 O ATOM 1058 CB PHE A 81 2.916 3.606 -9.812 1.00 0.00 C ATOM 1059 CG PHE A 81 3.496 3.026 -8.553 1.00 0.00 C ATOM 1060 CD1 PHE A 81 4.830 3.216 -8.251 1.00 0.00 C ATOM 1061 CD2 PHE A 81 2.712 2.300 -7.672 1.00 0.00 C ATOM 1062 CE1 PHE A 81 5.379 2.691 -7.097 1.00 0.00 C ATOM 1063 CE2 PHE A 81 3.252 1.771 -6.514 1.00 0.00 C ATOM 1064 CZ PHE A 81 4.588 1.966 -6.227 1.00 0.00 C ATOM 0 H PHE A 81 2.121 4.215 -12.075 1.00 0.00 H new ATOM 0 HA PHE A 81 4.650 3.729 -11.076 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.897 4.692 -9.724 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.882 3.276 -9.909 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.453 3.783 -8.927 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.666 2.145 -7.892 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.424 2.847 -6.876 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.630 1.206 -5.836 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.014 1.553 -5.325 1.00 0.00 H new ATOM 1074 N GLU A 82 3.033 0.936 -11.677 1.00 0.00 N ATOM 1075 CA GLU A 82 3.233 -0.500 -11.866 1.00 0.00 C ATOM 1076 C GLU A 82 4.467 -0.776 -12.720 1.00 0.00 C ATOM 1077 O GLU A 82 5.228 -1.707 -12.458 1.00 0.00 O ATOM 1078 CB GLU A 82 2.018 -1.133 -12.547 1.00 0.00 C ATOM 1079 CG GLU A 82 0.891 -1.524 -11.605 1.00 0.00 C ATOM 1080 CD GLU A 82 -0.211 -2.280 -12.323 1.00 0.00 C ATOM 1081 OE1 GLU A 82 -1.023 -1.642 -13.033 1.00 0.00 O ATOM 1082 OE2 GLU A 82 -0.250 -3.522 -12.213 1.00 0.00 O ATOM 0 H GLU A 82 2.127 1.279 -11.995 1.00 0.00 H new ATOM 0 HA GLU A 82 3.371 -0.938 -10.877 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.628 -0.434 -13.287 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.344 -2.021 -13.089 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.289 -2.141 -10.799 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.476 -0.628 -11.144 1.00 0.00 H new ATOM 1089 N SER A 83 4.662 0.047 -13.734 1.00 0.00 N ATOM 1090 CA SER A 83 5.771 -0.114 -14.657 1.00 0.00 C ATOM 1091 C SER A 83 7.010 0.615 -14.128 1.00 0.00 C ATOM 1092 O SER A 83 7.892 1.008 -14.894 1.00 0.00 O ATOM 1093 CB SER A 83 5.367 0.423 -16.034 1.00 0.00 C ATOM 1094 OG SER A 83 6.224 -0.050 -17.062 1.00 0.00 O ATOM 0 H SER A 83 4.059 0.843 -13.941 1.00 0.00 H new ATOM 0 HA SER A 83 6.018 -1.172 -14.750 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.341 0.126 -16.252 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.387 1.513 -16.018 1.00 0.00 H new ATOM 0 HG SER A 83 7.158 0.092 -16.801 1.00 0.00 H new ATOM 1100 N ASN A 84 7.040 0.810 -12.803 1.00 0.00 N ATOM 1101 CA ASN A 84 8.160 1.455 -12.105 1.00 0.00 C ATOM 1102 C ASN A 84 8.197 2.947 -12.393 1.00 0.00 C ATOM 1103 O ASN A 84 9.108 3.657 -11.964 1.00 0.00 O ATOM 1104 CB ASN A 84 9.502 0.813 -12.478 1.00 0.00 C ATOM 1105 CG ASN A 84 9.623 -0.622 -11.996 1.00 0.00 C ATOM 1106 OD1 ASN A 84 9.039 -1.001 -10.981 1.00 0.00 O ATOM 1107 ND2 ASN A 84 10.385 -1.431 -12.717 1.00 0.00 N ATOM 0 H ASN A 84 6.284 0.523 -12.182 1.00 0.00 H new ATOM 0 HA ASN A 84 7.999 1.309 -11.037 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.623 0.839 -13.561 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.313 1.404 -12.052 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.503 -2.405 -12.437 1.00 0.00 H new ATOM 0 HD22 ASN A 84 10.853 -1.080 -13.553 1.00 0.00 H new ATOM 1114 N ASP A 85 7.192 3.422 -13.106 1.00 0.00 N ATOM 1115 CA ASP A 85 7.113 4.823 -13.473 1.00 0.00 C ATOM 1116 C ASP A 85 6.595 5.652 -12.301 1.00 0.00 C ATOM 1117 O ASP A 85 5.391 5.846 -12.133 1.00 0.00 O ATOM 1118 CB ASP A 85 6.223 5.004 -14.696 1.00 0.00 C ATOM 1119 CG ASP A 85 6.453 6.343 -15.361 1.00 0.00 C ATOM 1120 OD1 ASP A 85 6.373 7.373 -14.668 1.00 0.00 O ATOM 1121 OD2 ASP A 85 6.741 6.367 -16.580 1.00 0.00 O ATOM 0 H ASP A 85 6.415 2.854 -13.444 1.00 0.00 H new ATOM 0 HA ASP A 85 8.114 5.173 -13.724 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.419 4.204 -15.410 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.177 4.919 -14.401 1.00 0.00 H new ATOM 1126 N HIS A 86 7.524 6.119 -11.477 1.00 0.00 N ATOM 1127 CA HIS A 86 7.190 6.918 -10.305 1.00 0.00 C ATOM 1128 C HIS A 86 6.701 8.301 -10.709 1.00 0.00 C ATOM 1129 O HIS A 86 5.803 8.864 -10.078 1.00 0.00 O ATOM 1130 CB HIS A 86 8.411 7.062 -9.390 1.00 0.00 C ATOM 1131 CG HIS A 86 8.843 5.788 -8.727 1.00 0.00 C ATOM 1132 ND1 HIS A 86 8.315 5.116 -7.680 1.00 0.00 N flip ATOM 1133 CD2 HIS A 86 9.956 5.077 -9.111 1.00 0.00 C flip ATOM 1134 CE1 HIS A 86 9.111 4.021 -7.452 1.00 0.00 C flip ATOM 1135 NE2 HIS A 86 10.092 4.022 -8.332 1.00 0.00 N flip ATOM 0 H HIS A 86 8.523 5.956 -11.601 1.00 0.00 H new ATOM 0 HA HIS A 86 6.392 6.403 -9.770 1.00 0.00 H new ATOM 0 HB2 HIS A 86 9.244 7.453 -9.975 1.00 0.00 H new ATOM 0 HB3 HIS A 86 8.187 7.800 -8.620 1.00 0.00 H new ATOM 0 HD2 HIS A 86 10.616 5.342 -9.924 1.00 0.00 H new ATOM 0 HE1 HIS A 86 8.959 3.282 -6.680 1.00 0.00 H new ATOM 0 HE2 HIS A 86 10.832 3.324 -8.399 1.00 0.00 H new ATOM 1144 N GLU A 87 7.293 8.829 -11.771 1.00 0.00 N ATOM 1145 CA GLU A 87 7.080 10.214 -12.167 1.00 0.00 C ATOM 1146 C GLU A 87 5.671 10.439 -12.710 1.00 0.00 C ATOM 1147 O GLU A 87 5.016 11.413 -12.342 1.00 0.00 O ATOM 1148 CB GLU A 87 8.141 10.637 -13.185 1.00 0.00 C ATOM 1149 CG GLU A 87 8.171 9.782 -14.439 1.00 0.00 C ATOM 1150 CD GLU A 87 9.441 9.966 -15.235 1.00 0.00 C ATOM 1151 OE1 GLU A 87 9.543 10.955 -15.987 1.00 0.00 O ATOM 1152 OE2 GLU A 87 10.352 9.118 -15.104 1.00 0.00 O ATOM 0 H GLU A 87 7.930 8.314 -12.379 1.00 0.00 H new ATOM 0 HA GLU A 87 7.179 10.839 -11.279 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.964 11.674 -13.469 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.121 10.600 -12.709 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.069 8.733 -14.162 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.314 10.031 -15.065 1.00 0.00 H new ATOM 1159 N LEU A 88 5.199 9.535 -13.561 1.00 0.00 N ATOM 1160 CA LEU A 88 3.859 9.640 -14.117 1.00 0.00 C ATOM 1161 C LEU A 88 2.805 9.607 -13.026 1.00 0.00 C ATOM 1162 O LEU A 88 1.980 10.510 -12.921 1.00 0.00 O ATOM 1163 CB LEU A 88 3.595 8.510 -15.107 1.00 0.00 C ATOM 1164 CG LEU A 88 4.098 8.755 -16.530 1.00 0.00 C ATOM 1165 CD1 LEU A 88 3.648 7.631 -17.444 1.00 0.00 C ATOM 1166 CD2 LEU A 88 3.606 10.094 -17.053 1.00 0.00 C ATOM 0 H LEU A 88 5.726 8.722 -13.880 1.00 0.00 H new ATOM 0 HA LEU A 88 3.798 10.597 -14.635 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.060 7.600 -14.727 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.521 8.327 -15.146 1.00 0.00 H new ATOM 0 HG LEU A 88 5.188 8.778 -16.512 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.012 7.816 -18.455 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.049 6.685 -17.082 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.559 7.584 -17.453 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.976 10.247 -18.067 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.516 10.104 -17.059 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.972 10.893 -16.409 1.00 0.00 H new ATOM 1178 N ALA A 89 2.857 8.569 -12.205 1.00 0.00 N ATOM 1179 CA ALA A 89 1.839 8.340 -11.190 1.00 0.00 C ATOM 1180 C ALA A 89 1.744 9.498 -10.211 1.00 0.00 C ATOM 1181 O ALA A 89 0.644 9.934 -9.870 1.00 0.00 O ATOM 1182 CB ALA A 89 2.114 7.037 -10.453 1.00 0.00 C ATOM 0 H ALA A 89 3.598 7.868 -12.222 1.00 0.00 H new ATOM 0 HA ALA A 89 0.877 8.265 -11.697 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.345 6.878 -9.697 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.103 6.209 -11.162 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.091 7.090 -9.972 1.00 0.00 H new ATOM 1188 N GLN A 90 2.884 10.019 -9.777 1.00 0.00 N ATOM 1189 CA GLN A 90 2.882 11.092 -8.799 1.00 0.00 C ATOM 1190 C GLN A 90 2.368 12.377 -9.442 1.00 0.00 C ATOM 1191 O GLN A 90 1.694 13.176 -8.799 1.00 0.00 O ATOM 1192 CB GLN A 90 4.280 11.297 -8.207 1.00 0.00 C ATOM 1193 CG GLN A 90 5.263 11.974 -9.148 1.00 0.00 C ATOM 1194 CD GLN A 90 6.664 12.044 -8.578 1.00 0.00 C ATOM 1195 OE1 GLN A 90 6.859 12.025 -7.363 1.00 0.00 O ATOM 1196 NE2 GLN A 90 7.648 12.163 -9.454 1.00 0.00 N ATOM 0 H GLN A 90 3.809 9.719 -10.083 1.00 0.00 H new ATOM 0 HA GLN A 90 2.216 10.819 -7.981 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.194 11.894 -7.299 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.684 10.328 -7.914 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.287 11.432 -10.093 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.914 12.983 -9.367 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.443 12.174 -10.453 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.612 12.243 -9.130 1.00 0.00 H new ATOM 1205 N ALA A 91 2.657 12.543 -10.732 1.00 0.00 N ATOM 1206 CA ALA A 91 2.228 13.720 -11.473 1.00 0.00 C ATOM 1207 C ALA A 91 0.757 13.626 -11.850 1.00 0.00 C ATOM 1208 O ALA A 91 0.105 14.641 -12.079 1.00 0.00 O ATOM 1209 CB ALA A 91 3.074 13.909 -12.716 1.00 0.00 C ATOM 0 H ALA A 91 3.190 11.871 -11.285 1.00 0.00 H new ATOM 0 HA ALA A 91 2.360 14.586 -10.824 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.736 14.794 -13.255 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.118 14.035 -12.430 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.977 13.034 -13.359 1.00 0.00 H new ATOM 1215 N ILE A 92 0.240 12.408 -11.928 1.00 0.00 N ATOM 1216 CA ILE A 92 -1.171 12.199 -12.209 1.00 0.00 C ATOM 1217 C ILE A 92 -2.017 12.583 -10.998 1.00 0.00 C ATOM 1218 O ILE A 92 -2.897 13.441 -11.098 1.00 0.00 O ATOM 1219 CB ILE A 92 -1.447 10.738 -12.623 1.00 0.00 C ATOM 1220 CG1 ILE A 92 -0.884 10.473 -14.024 1.00 0.00 C ATOM 1221 CG2 ILE A 92 -2.932 10.421 -12.576 1.00 0.00 C ATOM 1222 CD1 ILE A 92 -1.128 9.067 -14.525 1.00 0.00 C ATOM 0 H ILE A 92 0.777 11.550 -11.800 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.447 12.841 -13.045 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.947 10.083 -11.910 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.329 11.180 -14.724 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.189 10.665 -14.016 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.092 9.385 -12.873 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.304 10.570 -11.562 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.467 11.081 -13.259 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.701 8.957 -15.522 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.659 8.353 -13.848 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.200 8.877 -14.567 1.00 0.00 H new ATOM 1234 N ILE A 93 -1.742 11.943 -9.864 1.00 0.00 N ATOM 1235 CA ILE A 93 -2.376 12.289 -8.590 1.00 0.00 C ATOM 1236 C ILE A 93 -2.286 13.788 -8.329 1.00 0.00 C ATOM 1237 O ILE A 93 -3.303 14.469 -8.187 1.00 0.00 O ATOM 1238 CB ILE A 93 -1.699 11.536 -7.420 1.00 0.00 C ATOM 1239 CG1 ILE A 93 -1.621 10.039 -7.716 1.00 0.00 C ATOM 1240 CG2 ILE A 93 -2.437 11.781 -6.116 1.00 0.00 C ATOM 1241 CD1 ILE A 93 -2.876 9.478 -8.331 1.00 0.00 C ATOM 0 H ILE A 93 -1.076 11.173 -9.800 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.424 11.995 -8.655 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.685 11.922 -7.314 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.783 9.854 -8.388 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.411 9.505 -6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.941 11.241 -5.310 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.436 12.848 -5.892 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.465 11.431 -6.208 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.747 8.411 -8.513 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.714 9.631 -7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.077 9.985 -9.275 1.00 0.00 H new ATOM 1253 N ASP A 94 -1.061 14.293 -8.313 1.00 0.00 N ATOM 1254 CA ASP A 94 -0.799 15.698 -8.012 1.00 0.00 C ATOM 1255 C ASP A 94 -1.406 16.602 -9.075 1.00 0.00 C ATOM 1256 O ASP A 94 -1.855 17.711 -8.783 1.00 0.00 O ATOM 1257 CB ASP A 94 0.712 15.924 -7.928 1.00 0.00 C ATOM 1258 CG ASP A 94 1.102 17.085 -7.041 1.00 0.00 C ATOM 1259 OD1 ASP A 94 0.987 18.250 -7.478 1.00 0.00 O ATOM 1260 OD2 ASP A 94 1.562 16.831 -5.911 1.00 0.00 O ATOM 0 H ASP A 94 -0.222 13.746 -8.507 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.260 15.946 -7.056 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.186 15.017 -7.554 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.101 16.097 -8.931 1.00 0.00 H new ATOM 1265 N GLY A 95 -1.458 16.103 -10.305 1.00 0.00 N ATOM 1266 CA GLY A 95 -1.989 16.883 -11.406 1.00 0.00 C ATOM 1267 C GLY A 95 -3.496 16.994 -11.359 1.00 0.00 C ATOM 1268 O GLY A 95 -4.096 17.766 -12.108 1.00 0.00 O ATOM 0 H GLY A 95 -1.140 15.168 -10.559 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.553 17.882 -11.384 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.690 16.426 -12.349 1.00 0.00 H new ATOM 1272 N ALA A 96 -4.119 16.218 -10.482 1.00 0.00 N ATOM 1273 CA ALA A 96 -5.557 16.279 -10.307 1.00 0.00 C ATOM 1274 C ALA A 96 -5.912 17.200 -9.150 1.00 0.00 C ATOM 1275 O ALA A 96 -7.089 17.390 -8.843 1.00 0.00 O ATOM 1276 CB ALA A 96 -6.122 14.884 -10.080 1.00 0.00 C ATOM 0 H ALA A 96 -3.648 15.540 -9.883 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.003 16.685 -11.215 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.202 14.946 -9.950 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.895 14.255 -10.941 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.673 14.451 -9.186 1.00 0.00 H new ATOM 1282 N ASN A 97 -4.875 17.759 -8.512 1.00 0.00 N ATOM 1283 CA ASN A 97 -5.023 18.620 -7.331 1.00 0.00 C ATOM 1284 C ASN A 97 -5.356 17.754 -6.122 1.00 0.00 C ATOM 1285 O ASN A 97 -5.675 18.242 -5.037 1.00 0.00 O ATOM 1286 CB ASN A 97 -6.089 19.712 -7.535 1.00 0.00 C ATOM 1287 CG ASN A 97 -6.017 20.815 -6.491 1.00 0.00 C ATOM 1288 OD1 ASN A 97 -4.817 21.105 -6.003 1.00 0.00 O flip ATOM 1289 ND2 ASN A 97 -7.033 21.415 -6.136 1.00 0.00 N flip ATOM 0 H ASN A 97 -3.906 17.626 -8.802 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.079 19.139 -7.164 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.968 20.149 -8.526 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.079 19.256 -7.506 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.938 21.164 -6.533 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.969 22.162 -5.445 1.00 0.00 H new ATOM 1296 N ILE A 98 -5.278 16.451 -6.343 1.00 0.00 N ATOM 1297 CA ILE A 98 -5.408 15.467 -5.293 1.00 0.00 C ATOM 1298 C ILE A 98 -4.039 15.230 -4.673 1.00 0.00 C ATOM 1299 O ILE A 98 -3.038 15.143 -5.383 1.00 0.00 O ATOM 1300 CB ILE A 98 -5.996 14.142 -5.850 1.00 0.00 C ATOM 1301 CG1 ILE A 98 -7.525 14.147 -5.768 1.00 0.00 C ATOM 1302 CG2 ILE A 98 -5.421 12.926 -5.143 1.00 0.00 C ATOM 1303 CD1 ILE A 98 -8.197 15.009 -6.809 1.00 0.00 C ATOM 0 H ILE A 98 -5.121 16.048 -7.267 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.095 15.836 -4.531 1.00 0.00 H new ATOM 0 HB ILE A 98 -5.707 14.075 -6.899 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.887 13.124 -5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.824 14.493 -4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.859 12.020 -5.563 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.340 12.903 -5.279 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.652 12.981 -4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.278 14.957 -6.682 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.867 16.042 -6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.931 14.652 -7.804 1.00 0.00 H new ATOM 1315 N THR A 99 -3.979 15.146 -3.359 1.00 0.00 N ATOM 1316 CA THR A 99 -2.697 15.026 -2.694 1.00 0.00 C ATOM 1317 C THR A 99 -2.617 13.746 -1.882 1.00 0.00 C ATOM 1318 O THR A 99 -3.626 13.069 -1.657 1.00 0.00 O ATOM 1319 CB THR A 99 -2.413 16.222 -1.773 1.00 0.00 C ATOM 1320 OG1 THR A 99 -3.500 16.407 -0.856 1.00 0.00 O ATOM 1321 CG2 THR A 99 -2.186 17.500 -2.564 1.00 0.00 C ATOM 0 H THR A 99 -4.789 15.158 -2.739 1.00 0.00 H new ATOM 0 HA THR A 99 -1.943 15.005 -3.481 1.00 0.00 H new ATOM 0 HB THR A 99 -1.500 16.002 -1.220 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.309 17.170 -0.272 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.988 18.323 -1.877 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.332 17.369 -3.229 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.074 17.725 -3.154 1.00 0.00 H new ATOM 1329 N LEU A 100 -1.409 13.397 -1.472 1.00 0.00 N ATOM 1330 CA LEU A 100 -1.204 12.247 -0.620 1.00 0.00 C ATOM 1331 C LEU A 100 0.008 12.481 0.275 1.00 0.00 C ATOM 1332 O LEU A 100 1.150 12.329 -0.159 1.00 0.00 O ATOM 1333 CB LEU A 100 -1.065 10.975 -1.469 1.00 0.00 C ATOM 1334 CG LEU A 100 -1.352 9.675 -0.732 1.00 0.00 C ATOM 1335 CD1 LEU A 100 -0.163 9.234 0.088 1.00 0.00 C ATOM 1336 CD2 LEU A 100 -2.581 9.860 0.132 1.00 0.00 C ATOM 0 H LEU A 100 -0.555 13.898 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.070 12.107 0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.741 11.049 -2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.052 10.932 -1.869 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.541 8.885 -1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.401 8.303 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.694 9.078 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.077 10.002 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.794 8.933 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.403 10.659 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.432 10.121 -0.497 1.00 0.00 H new ATOM 1348 N PRO A 101 -0.242 12.841 1.546 1.00 0.00 N ATOM 1349 CA PRO A 101 0.802 13.255 2.502 1.00 0.00 C ATOM 1350 C PRO A 101 1.843 12.172 2.789 1.00 0.00 C ATOM 1351 O PRO A 101 2.911 12.451 3.328 1.00 0.00 O ATOM 1352 CB PRO A 101 0.018 13.578 3.778 1.00 0.00 C ATOM 1353 CG PRO A 101 -1.279 12.867 3.626 1.00 0.00 C ATOM 1354 CD PRO A 101 -1.579 12.882 2.157 1.00 0.00 C ATOM 0 HA PRO A 101 1.380 14.089 2.103 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.552 13.238 4.665 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -0.132 14.652 3.888 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -1.212 11.846 4.002 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -2.067 13.364 4.192 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -2.185 12.026 1.860 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -2.128 13.777 1.866 1.00 0.00 H new ATOM 1362 N HIS A 102 1.514 10.937 2.448 1.00 0.00 N ATOM 1363 CA HIS A 102 2.431 9.817 2.650 1.00 0.00 C ATOM 1364 C HIS A 102 3.438 9.719 1.506 1.00 0.00 C ATOM 1365 O HIS A 102 4.483 9.084 1.638 1.00 0.00 O ATOM 1366 CB HIS A 102 1.674 8.490 2.764 1.00 0.00 C ATOM 1367 CG HIS A 102 0.833 8.348 3.998 1.00 0.00 C ATOM 1368 ND1 HIS A 102 1.191 7.549 5.055 1.00 0.00 N ATOM 1369 CD2 HIS A 102 -0.369 8.878 4.321 1.00 0.00 C ATOM 1370 CE1 HIS A 102 0.250 7.591 5.978 1.00 0.00 C ATOM 1371 NE2 HIS A 102 -0.715 8.391 5.560 1.00 0.00 N ATOM 0 H HIS A 102 0.620 10.680 2.030 1.00 0.00 H new ATOM 0 HA HIS A 102 2.962 10.005 3.583 1.00 0.00 H new ATOM 0 HB2 HIS A 102 1.033 8.378 1.890 1.00 0.00 H new ATOM 0 HB3 HIS A 102 2.395 7.673 2.737 1.00 0.00 H new ATOM 0 HD1 HIS A 102 2.052 7.006 5.117 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -0.950 9.559 3.717 1.00 0.00 H new ATOM 0 HE1 HIS A 102 0.266 7.060 6.918 1.00 0.00 H new ATOM 1380 N GLY A 103 3.114 10.351 0.383 1.00 0.00 N ATOM 1381 CA GLY A 103 3.957 10.259 -0.797 1.00 0.00 C ATOM 1382 C GLY A 103 3.738 8.972 -1.563 1.00 0.00 C ATOM 1383 O GLY A 103 4.473 8.655 -2.502 1.00 0.00 O ATOM 0 H GLY A 103 2.280 10.927 0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.755 11.107 -1.451 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.003 10.328 -0.499 1.00 0.00 H new ATOM 1387 N ALA A 104 2.706 8.242 -1.186 1.00 0.00 N ATOM 1388 CA ALA A 104 2.461 6.929 -1.746 1.00 0.00 C ATOM 1389 C ALA A 104 1.417 6.972 -2.845 1.00 0.00 C ATOM 1390 O ALA A 104 0.501 7.787 -2.821 1.00 0.00 O ATOM 1391 CB ALA A 104 2.027 5.970 -0.653 1.00 0.00 C ATOM 0 H ALA A 104 2.021 8.539 -0.491 1.00 0.00 H new ATOM 0 HA ALA A 104 3.393 6.578 -2.189 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.845 4.985 -1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.812 5.897 0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.112 6.338 -0.189 1.00 0.00 H new ATOM 1397 N LEU A 105 1.582 6.078 -3.808 1.00 0.00 N ATOM 1398 CA LEU A 105 0.613 5.898 -4.880 1.00 0.00 C ATOM 1399 C LEU A 105 -0.540 5.070 -4.344 1.00 0.00 C ATOM 1400 O LEU A 105 -1.640 5.062 -4.884 1.00 0.00 O ATOM 1401 CB LEU A 105 1.284 5.188 -6.069 1.00 0.00 C ATOM 1402 CG LEU A 105 0.510 5.193 -7.396 1.00 0.00 C ATOM 1403 CD1 LEU A 105 -0.501 4.058 -7.459 1.00 0.00 C ATOM 1404 CD2 LEU A 105 -0.180 6.528 -7.584 1.00 0.00 C ATOM 0 H LEU A 105 2.389 5.458 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 105 0.240 6.862 -5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.256 5.652 -6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.470 4.152 -5.787 1.00 0.00 H new ATOM 0 HG LEU A 105 1.224 5.040 -8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.029 4.094 -8.412 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.017 3.104 -7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.217 4.162 -6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.727 6.525 -8.527 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.875 6.697 -6.762 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.565 7.324 -7.599 1.00 0.00 H new ATOM 1416 N THR A 106 -0.273 4.409 -3.235 1.00 0.00 N ATOM 1417 CA THR A 106 -1.188 3.438 -2.679 1.00 0.00 C ATOM 1418 C THR A 106 -2.210 4.083 -1.747 1.00 0.00 C ATOM 1419 O THR A 106 -2.807 3.412 -0.903 1.00 0.00 O ATOM 1420 CB THR A 106 -0.415 2.338 -1.942 1.00 0.00 C ATOM 1421 OG1 THR A 106 0.259 2.879 -0.789 1.00 0.00 O ATOM 1422 CG2 THR A 106 0.616 1.711 -2.870 1.00 0.00 C ATOM 0 H THR A 106 0.584 4.531 -2.696 1.00 0.00 H new ATOM 0 HA THR A 106 -1.738 2.995 -3.510 1.00 0.00 H new ATOM 0 HB THR A 106 -1.128 1.580 -1.619 1.00 0.00 H new ATOM 0 HG1 THR A 106 0.607 2.146 -0.240 1.00 0.00 H new ATOM 0 HG21 THR A 106 1.159 0.931 -2.336 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.112 1.276 -3.733 1.00 0.00 H new ATOM 0 HG23 THR A 106 1.316 2.476 -3.206 1.00 0.00 H new ATOM 1430 N GLU A 107 -2.401 5.381 -1.918 1.00 0.00 N ATOM 1431 CA GLU A 107 -3.430 6.138 -1.217 1.00 0.00 C ATOM 1432 C GLU A 107 -3.739 7.381 -2.028 1.00 0.00 C ATOM 1433 O GLU A 107 -2.934 7.787 -2.867 1.00 0.00 O ATOM 1434 CB GLU A 107 -2.971 6.555 0.184 1.00 0.00 C ATOM 1435 CG GLU A 107 -2.868 5.420 1.182 1.00 0.00 C ATOM 1436 CD GLU A 107 -2.404 5.892 2.544 1.00 0.00 C ATOM 1437 OE1 GLU A 107 -1.187 6.102 2.712 1.00 0.00 O ATOM 1438 OE2 GLU A 107 -3.245 6.025 3.452 1.00 0.00 O ATOM 0 H GLU A 107 -1.840 5.947 -2.555 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.312 5.508 -1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.998 7.039 0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -3.666 7.300 0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.840 4.936 1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.174 4.669 0.804 1.00 0.00 H new ATOM 1445 N CYS A 108 -4.891 7.988 -1.794 1.00 0.00 N ATOM 1446 CA CYS A 108 -5.210 9.247 -2.446 1.00 0.00 C ATOM 1447 C CYS A 108 -6.207 10.031 -1.617 1.00 0.00 C ATOM 1448 O CYS A 108 -7.149 9.458 -1.059 1.00 0.00 O ATOM 1449 CB CYS A 108 -5.783 9.015 -3.848 1.00 0.00 C ATOM 1450 SG CYS A 108 -7.505 8.476 -3.854 1.00 0.00 S ATOM 0 H CYS A 108 -5.613 7.635 -1.166 1.00 0.00 H new ATOM 0 HA CYS A 108 -4.285 9.817 -2.538 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -5.700 9.938 -4.421 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.177 8.267 -4.358 1.00 0.00 H new ATOM 0 HG CYS A 108 -8.063 8.793 -2.723 1.00 0.00 H new ATOM 1456 N TYR A 109 -6.006 11.335 -1.531 1.00 0.00 N ATOM 1457 CA TYR A 109 -6.968 12.198 -0.880 1.00 0.00 C ATOM 1458 C TYR A 109 -7.493 13.195 -1.888 1.00 0.00 C ATOM 1459 O TYR A 109 -6.737 13.980 -2.465 1.00 0.00 O ATOM 1460 CB TYR A 109 -6.348 12.957 0.306 1.00 0.00 C ATOM 1461 CG TYR A 109 -5.909 12.095 1.474 1.00 0.00 C ATOM 1462 CD1 TYR A 109 -6.097 10.719 1.471 1.00 0.00 C ATOM 1463 CD2 TYR A 109 -5.305 12.667 2.585 1.00 0.00 C ATOM 1464 CE1 TYR A 109 -5.692 9.940 2.530 1.00 0.00 C ATOM 1465 CE2 TYR A 109 -4.896 11.890 3.654 1.00 0.00 C ATOM 1466 CZ TYR A 109 -5.096 10.528 3.622 1.00 0.00 C ATOM 1467 OH TYR A 109 -4.694 9.753 4.684 1.00 0.00 O ATOM 0 H TYR A 109 -5.187 11.815 -1.904 1.00 0.00 H new ATOM 0 HA TYR A 109 -7.775 11.575 -0.493 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.485 13.517 -0.054 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.073 13.686 0.667 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -6.571 10.251 0.620 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -5.152 13.736 2.615 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -5.841 8.871 2.504 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -4.422 12.349 4.509 1.00 0.00 H new ATOM 0 HH TYR A 109 -4.291 10.324 5.371 1.00 0.00 H new ATOM 1477 N ASP A 110 -8.796 13.163 -2.081 1.00 0.00 N ATOM 1478 CA ASP A 110 -9.450 14.045 -3.023 1.00 0.00 C ATOM 1479 C ASP A 110 -9.651 15.408 -2.391 1.00 0.00 C ATOM 1480 O ASP A 110 -9.897 15.517 -1.187 1.00 0.00 O ATOM 1481 CB ASP A 110 -10.784 13.438 -3.468 1.00 0.00 C ATOM 1482 CG ASP A 110 -11.646 14.413 -4.239 1.00 0.00 C ATOM 1483 OD1 ASP A 110 -12.418 15.143 -3.591 1.00 0.00 O ATOM 1484 OD2 ASP A 110 -11.552 14.452 -5.481 1.00 0.00 O ATOM 0 H ASP A 110 -9.427 12.528 -1.592 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.823 14.166 -3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.590 12.563 -4.088 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.331 13.092 -2.591 1.00 0.00 H new ATOM 1489 N GLU A 111 -9.542 16.438 -3.222 1.00 0.00 N ATOM 1490 CA GLU A 111 -9.500 17.823 -2.769 1.00 0.00 C ATOM 1491 C GLU A 111 -10.754 18.234 -1.998 1.00 0.00 C ATOM 1492 O GLU A 111 -10.720 19.195 -1.232 1.00 0.00 O ATOM 1493 CB GLU A 111 -9.302 18.750 -3.963 1.00 0.00 C ATOM 1494 CG GLU A 111 -10.364 18.599 -5.038 1.00 0.00 C ATOM 1495 CD GLU A 111 -10.286 19.695 -6.074 1.00 0.00 C ATOM 1496 OE1 GLU A 111 -10.379 20.881 -5.691 1.00 0.00 O ATOM 1497 OE2 GLU A 111 -10.134 19.380 -7.271 1.00 0.00 O ATOM 0 H GLU A 111 -9.480 16.335 -4.235 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.659 17.908 -2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.297 19.782 -3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.323 18.557 -4.402 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.250 17.631 -5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.351 18.608 -4.575 1.00 0.00 H new ATOM 1504 N LEU A 112 -11.859 17.532 -2.204 1.00 0.00 N ATOM 1505 CA LEU A 112 -13.094 17.828 -1.482 1.00 0.00 C ATOM 1506 C LEU A 112 -13.047 17.279 -0.054 1.00 0.00 C ATOM 1507 O LEU A 112 -13.909 17.588 0.767 1.00 0.00 O ATOM 1508 CB LEU A 112 -14.284 17.236 -2.228 1.00 0.00 C ATOM 1509 CG LEU A 112 -14.374 17.639 -3.697 1.00 0.00 C ATOM 1510 CD1 LEU A 112 -15.376 16.761 -4.420 1.00 0.00 C ATOM 1511 CD2 LEU A 112 -14.755 19.104 -3.828 1.00 0.00 C ATOM 0 H LEU A 112 -11.929 16.756 -2.862 1.00 0.00 H new ATOM 0 HA LEU A 112 -13.203 18.911 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -14.232 16.149 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.201 17.541 -1.724 1.00 0.00 H new ATOM 0 HG LEU A 112 -13.395 17.500 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -15.431 17.058 -5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -15.061 15.720 -4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -16.357 16.873 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -14.814 19.372 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -15.723 19.272 -3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -14.001 19.721 -3.339 1.00 0.00 H new ATOM 1523 N GLY A 113 -12.032 16.475 0.236 1.00 0.00 N ATOM 1524 CA GLY A 113 -11.894 15.897 1.561 1.00 0.00 C ATOM 1525 C GLY A 113 -12.174 14.407 1.571 1.00 0.00 C ATOM 1526 O GLY A 113 -12.617 13.852 2.581 1.00 0.00 O ATOM 0 H GLY A 113 -11.300 16.212 -0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.884 16.077 1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -12.578 16.398 2.246 1.00 0.00 H new ATOM 1530 N ASN A 114 -11.917 13.758 0.446 1.00 0.00 N ATOM 1531 CA ASN A 114 -12.160 12.325 0.319 1.00 0.00 C ATOM 1532 C ASN A 114 -10.869 11.538 0.512 1.00 0.00 C ATOM 1533 O ASN A 114 -9.779 12.081 0.342 1.00 0.00 O ATOM 1534 CB ASN A 114 -12.772 12.004 -1.045 1.00 0.00 C ATOM 1535 CG ASN A 114 -14.126 12.668 -1.243 1.00 0.00 C ATOM 1536 OD1 ASN A 114 -15.145 12.160 -0.781 1.00 0.00 O ATOM 1537 ND2 ASN A 114 -14.158 13.788 -1.951 1.00 0.00 N ATOM 0 H ASN A 114 -11.540 14.198 -0.393 1.00 0.00 H new ATOM 0 HA ASN A 114 -12.864 12.031 1.098 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -12.092 12.331 -1.832 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -12.881 10.924 -1.146 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -15.048 14.255 -2.127 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -13.293 14.183 -2.320 1.00 0.00 H new ATOM 1544 N ARG A 115 -10.992 10.260 0.856 1.00 0.00 N ATOM 1545 CA ARG A 115 -9.829 9.426 1.138 1.00 0.00 C ATOM 1546 C ARG A 115 -9.991 8.025 0.553 1.00 0.00 C ATOM 1547 O ARG A 115 -11.073 7.445 0.600 1.00 0.00 O ATOM 1548 CB ARG A 115 -9.609 9.343 2.654 1.00 0.00 C ATOM 1549 CG ARG A 115 -8.719 8.189 3.092 1.00 0.00 C ATOM 1550 CD ARG A 115 -8.480 8.203 4.593 1.00 0.00 C ATOM 1551 NE ARG A 115 -9.723 8.380 5.347 1.00 0.00 N ATOM 1552 CZ ARG A 115 -9.807 8.315 6.674 1.00 0.00 C ATOM 1553 NH1 ARG A 115 -8.739 8.005 7.403 1.00 0.00 N ATOM 1554 NH2 ARG A 115 -10.969 8.553 7.267 1.00 0.00 N ATOM 0 H ARG A 115 -11.887 9.779 0.946 1.00 0.00 H new ATOM 0 HA ARG A 115 -8.959 9.884 0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.168 10.278 2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.577 9.248 3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.181 7.244 2.806 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -7.764 8.248 2.571 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -8.005 7.269 4.893 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -7.788 9.007 4.842 1.00 0.00 H new ATOM 0 HE ARG A 115 -10.578 8.565 4.822 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -7.847 7.815 6.946 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -8.812 7.957 8.419 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -11.790 8.784 6.707 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -11.042 8.505 8.283 1.00 0.00 H new ATOM 1568 N TYR A 116 -8.909 7.495 -0.002 1.00 0.00 N ATOM 1569 CA TYR A 116 -8.893 6.137 -0.518 1.00 0.00 C ATOM 1570 C TYR A 116 -7.619 5.418 -0.123 1.00 0.00 C ATOM 1571 O TYR A 116 -6.571 6.045 0.064 1.00 0.00 O ATOM 1572 CB TYR A 116 -9.016 6.121 -2.038 1.00 0.00 C ATOM 1573 CG TYR A 116 -10.433 6.218 -2.534 1.00 0.00 C ATOM 1574 CD1 TYR A 116 -11.288 5.130 -2.438 1.00 0.00 C ATOM 1575 CD2 TYR A 116 -10.914 7.388 -3.101 1.00 0.00 C ATOM 1576 CE1 TYR A 116 -12.586 5.203 -2.892 1.00 0.00 C ATOM 1577 CE2 TYR A 116 -12.211 7.469 -3.562 1.00 0.00 C ATOM 1578 CZ TYR A 116 -13.044 6.372 -3.453 1.00 0.00 C ATOM 1579 OH TYR A 116 -14.337 6.443 -3.912 1.00 0.00 O ATOM 0 H TYR A 116 -8.024 7.992 -0.106 1.00 0.00 H new ATOM 0 HA TYR A 116 -9.750 5.623 -0.082 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -8.440 6.950 -2.448 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -8.569 5.203 -2.420 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -10.930 4.210 -2.000 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -10.265 8.247 -3.183 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -13.240 4.348 -2.808 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -12.574 8.384 -4.006 1.00 0.00 H new ATOM 0 HH TYR A 116 -14.905 5.846 -3.382 1.00 0.00 H new ATOM 1589 N GLN A 117 -7.717 4.104 -0.029 1.00 0.00 N ATOM 1590 CA GLN A 117 -6.582 3.261 0.297 1.00 0.00 C ATOM 1591 C GLN A 117 -6.387 2.254 -0.830 1.00 0.00 C ATOM 1592 O GLN A 117 -7.298 1.486 -1.140 1.00 0.00 O ATOM 1593 CB GLN A 117 -6.831 2.517 1.616 1.00 0.00 C ATOM 1594 CG GLN A 117 -7.366 3.398 2.740 1.00 0.00 C ATOM 1595 CD GLN A 117 -6.383 4.458 3.193 1.00 0.00 C ATOM 1596 OE1 GLN A 117 -6.775 5.543 3.622 1.00 0.00 O ATOM 1597 NE2 GLN A 117 -5.101 4.148 3.123 1.00 0.00 N ATOM 0 H GLN A 117 -8.586 3.592 -0.177 1.00 0.00 H new ATOM 0 HA GLN A 117 -5.690 3.877 0.411 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.539 1.708 1.436 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -5.898 2.057 1.943 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.284 3.883 2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -7.629 2.769 3.591 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -4.815 3.238 2.761 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -4.397 4.819 3.431 1.00 0.00 H new ATOM 1606 N LEU A 118 -5.216 2.274 -1.451 1.00 0.00 N ATOM 1607 CA LEU A 118 -4.938 1.419 -2.596 1.00 0.00 C ATOM 1608 C LEU A 118 -4.350 0.079 -2.164 1.00 0.00 C ATOM 1609 O LEU A 118 -3.217 0.005 -1.684 1.00 0.00 O ATOM 1610 CB LEU A 118 -3.991 2.116 -3.570 1.00 0.00 C ATOM 1611 CG LEU A 118 -4.656 2.922 -4.685 1.00 0.00 C ATOM 1612 CD1 LEU A 118 -5.494 2.004 -5.545 1.00 0.00 C ATOM 1613 CD2 LEU A 118 -5.500 4.054 -4.119 1.00 0.00 C ATOM 0 H LEU A 118 -4.439 2.877 -1.179 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.886 1.226 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.343 2.784 -3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -3.350 1.362 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 118 -3.878 3.373 -5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -5.967 2.581 -6.339 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -4.858 1.236 -5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.262 1.532 -4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -5.960 4.609 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -6.279 3.642 -3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -4.867 4.724 -3.537 1.00 0.00 H new ATOM 1625 N PRO A 119 -5.140 -0.990 -2.314 1.00 0.00 N ATOM 1626 CA PRO A 119 -4.754 -2.359 -1.946 1.00 0.00 C ATOM 1627 C PRO A 119 -3.763 -3.003 -2.925 1.00 0.00 C ATOM 1628 O PRO A 119 -3.695 -2.647 -4.102 1.00 0.00 O ATOM 1629 CB PRO A 119 -6.099 -3.109 -1.966 1.00 0.00 C ATOM 1630 CG PRO A 119 -7.119 -2.027 -1.948 1.00 0.00 C ATOM 1631 CD PRO A 119 -6.522 -0.954 -2.792 1.00 0.00 C ATOM 0 HA PRO A 119 -4.233 -2.386 -0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -6.195 -3.732 -2.855 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -6.201 -3.767 -1.103 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -8.071 -2.370 -2.353 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -7.311 -1.677 -0.934 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -6.600 -1.171 -3.857 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -6.994 0.015 -2.629 1.00 0.00 H new ATOM 1639 N VAL A 120 -3.022 -3.985 -2.405 1.00 0.00 N ATOM 1640 CA VAL A 120 -1.916 -4.633 -3.122 1.00 0.00 C ATOM 1641 C VAL A 120 -2.369 -5.383 -4.377 1.00 0.00 C ATOM 1642 O VAL A 120 -1.546 -5.694 -5.236 1.00 0.00 O ATOM 1643 CB VAL A 120 -1.166 -5.646 -2.215 1.00 0.00 C ATOM 1644 CG1 VAL A 120 -0.814 -5.029 -0.870 1.00 0.00 C ATOM 1645 CG2 VAL A 120 -1.985 -6.914 -2.013 1.00 0.00 C ATOM 0 H VAL A 120 -3.172 -4.357 -1.467 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.257 -3.816 -3.416 1.00 0.00 H new ATOM 0 HB VAL A 120 -0.239 -5.911 -2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -0.290 -5.764 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.172 -4.161 -1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.727 -4.719 -0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -1.435 -7.605 -1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.935 -6.662 -1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.172 -7.384 -2.979 1.00 0.00 H new ATOM 1655 N TYR A 121 -3.669 -5.653 -4.480 1.00 0.00 N ATOM 1656 CA TYR A 121 -4.203 -6.552 -5.510 1.00 0.00 C ATOM 1657 C TYR A 121 -3.866 -6.086 -6.927 1.00 0.00 C ATOM 1658 O TYR A 121 -3.844 -6.887 -7.861 1.00 0.00 O ATOM 1659 CB TYR A 121 -5.721 -6.701 -5.355 1.00 0.00 C ATOM 1660 CG TYR A 121 -6.514 -5.519 -5.875 1.00 0.00 C ATOM 1661 CD1 TYR A 121 -6.446 -4.286 -5.252 1.00 0.00 C ATOM 1662 CD2 TYR A 121 -7.325 -5.644 -6.999 1.00 0.00 C ATOM 1663 CE1 TYR A 121 -7.155 -3.206 -5.731 1.00 0.00 C ATOM 1664 CE2 TYR A 121 -8.040 -4.566 -7.483 1.00 0.00 C ATOM 1665 CZ TYR A 121 -7.955 -3.350 -6.844 1.00 0.00 C ATOM 1666 OH TYR A 121 -8.660 -2.272 -7.324 1.00 0.00 O ATOM 0 H TYR A 121 -4.378 -5.261 -3.860 1.00 0.00 H new ATOM 0 HA TYR A 121 -3.724 -7.520 -5.364 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -6.043 -7.600 -5.880 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -5.955 -6.847 -4.301 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -5.827 -4.168 -4.375 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -7.396 -6.598 -7.500 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -7.084 -2.249 -5.236 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -8.663 -4.677 -8.358 1.00 0.00 H new ATOM 0 HH TYR A 121 -9.173 -2.542 -8.114 1.00 0.00 H new ATOM 1676 N CYS A 122 -3.607 -4.797 -7.091 1.00 0.00 N ATOM 1677 CA CYS A 122 -3.296 -4.252 -8.398 1.00 0.00 C ATOM 1678 C CYS A 122 -2.023 -3.413 -8.321 1.00 0.00 C ATOM 1679 O CYS A 122 -1.827 -2.482 -9.102 1.00 0.00 O ATOM 1680 CB CYS A 122 -4.478 -3.410 -8.901 1.00 0.00 C ATOM 1681 SG CYS A 122 -4.325 -2.838 -10.609 1.00 0.00 S ATOM 0 H CYS A 122 -3.607 -4.112 -6.335 1.00 0.00 H new ATOM 0 HA CYS A 122 -3.127 -5.066 -9.102 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -5.391 -3.999 -8.810 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -4.592 -2.543 -8.251 1.00 0.00 H new ATOM 0 HG CYS A 122 -3.112 -2.422 -10.820 1.00 0.00 H new ATOM 1687 N LEU A 123 -1.156 -3.747 -7.371 1.00 0.00 N ATOM 1688 CA LEU A 123 0.056 -2.972 -7.150 1.00 0.00 C ATOM 1689 C LEU A 123 1.264 -3.866 -6.891 1.00 0.00 C ATOM 1690 O LEU A 123 2.311 -3.704 -7.523 1.00 0.00 O ATOM 1691 CB LEU A 123 -0.144 -2.016 -5.975 1.00 0.00 C ATOM 1692 CG LEU A 123 -1.168 -0.908 -6.217 1.00 0.00 C ATOM 1693 CD1 LEU A 123 -1.444 -0.152 -4.931 1.00 0.00 C ATOM 1694 CD2 LEU A 123 -0.674 0.045 -7.295 1.00 0.00 C ATOM 0 H LEU A 123 -1.270 -4.545 -6.746 1.00 0.00 H new ATOM 0 HA LEU A 123 0.254 -2.403 -8.058 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -0.453 -2.593 -5.104 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.814 -1.558 -5.730 1.00 0.00 H new ATOM 0 HG LEU A 123 -2.097 -1.365 -6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -2.175 0.634 -5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -1.836 -0.840 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -0.519 0.294 -4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -1.415 0.828 -7.455 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.267 0.495 -6.979 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -0.520 -0.504 -8.224 1.00 0.00 H new ATOM 1706 N ALA A 124 1.125 -4.811 -5.966 1.00 0.00 N ATOM 1707 CA ALA A 124 2.249 -5.650 -5.576 1.00 0.00 C ATOM 1708 C ALA A 124 1.853 -7.123 -5.482 1.00 0.00 C ATOM 1709 O ALA A 124 1.079 -7.516 -4.610 1.00 0.00 O ATOM 1710 CB ALA A 124 2.815 -5.172 -4.246 1.00 0.00 C ATOM 0 H ALA A 124 0.253 -5.013 -5.477 1.00 0.00 H new ATOM 0 HA ALA A 124 3.013 -5.565 -6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.656 -5.804 -3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 124 3.154 -4.141 -4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.042 -5.229 -3.480 1.00 0.00 H new ATOM 1716 N PRO A 125 2.379 -7.944 -6.406 1.00 0.00 N ATOM 1717 CA PRO A 125 2.197 -9.408 -6.394 1.00 0.00 C ATOM 1718 C PRO A 125 2.762 -10.134 -5.149 1.00 0.00 C ATOM 1719 O PRO A 125 2.090 -11.021 -4.633 1.00 0.00 O ATOM 1720 CB PRO A 125 2.933 -9.878 -7.657 1.00 0.00 C ATOM 1721 CG PRO A 125 3.015 -8.671 -8.527 1.00 0.00 C ATOM 1722 CD PRO A 125 3.144 -7.503 -7.590 1.00 0.00 C ATOM 0 HA PRO A 125 1.134 -9.647 -6.365 1.00 0.00 H new ATOM 0 HB2 PRO A 125 3.925 -10.259 -7.417 1.00 0.00 H new ATOM 0 HB3 PRO A 125 2.392 -10.685 -8.152 1.00 0.00 H new ATOM 0 HG2 PRO A 125 3.871 -8.730 -9.199 1.00 0.00 H new ATOM 0 HG3 PRO A 125 2.126 -8.577 -9.151 1.00 0.00 H new ATOM 0 HD2 PRO A 125 4.185 -7.296 -7.344 1.00 0.00 H new ATOM 0 HD3 PRO A 125 2.731 -6.591 -8.021 1.00 0.00 H new ATOM 1730 N PRO A 126 3.999 -9.793 -4.659 1.00 0.00 N ATOM 1731 CA PRO A 126 4.694 -10.493 -3.560 1.00 0.00 C ATOM 1732 C PRO A 126 3.787 -11.148 -2.513 1.00 0.00 C ATOM 1733 O PRO A 126 3.878 -12.353 -2.271 1.00 0.00 O ATOM 1734 CB PRO A 126 5.527 -9.379 -2.910 1.00 0.00 C ATOM 1735 CG PRO A 126 5.513 -8.224 -3.867 1.00 0.00 C ATOM 1736 CD PRO A 126 4.858 -8.707 -5.133 1.00 0.00 C ATOM 0 HA PRO A 126 5.261 -11.335 -3.955 1.00 0.00 H new ATOM 0 HB2 PRO A 126 5.105 -9.090 -1.947 1.00 0.00 H new ATOM 0 HB3 PRO A 126 6.547 -9.716 -2.723 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.964 -7.382 -3.446 1.00 0.00 H new ATOM 0 HG3 PRO A 126 6.527 -7.876 -4.066 1.00 0.00 H new ATOM 0 HD2 PRO A 126 4.283 -7.918 -5.617 1.00 0.00 H new ATOM 0 HD3 PRO A 126 5.591 -9.058 -5.859 1.00 0.00 H new ATOM 1744 N ILE A 127 2.918 -10.357 -1.897 1.00 0.00 N ATOM 1745 CA ILE A 127 2.054 -10.838 -0.818 1.00 0.00 C ATOM 1746 C ILE A 127 0.861 -11.628 -1.354 1.00 0.00 C ATOM 1747 O ILE A 127 -0.288 -11.391 -0.966 1.00 0.00 O ATOM 1748 CB ILE A 127 1.540 -9.688 0.079 1.00 0.00 C ATOM 1749 CG1 ILE A 127 0.956 -8.529 -0.753 1.00 0.00 C ATOM 1750 CG2 ILE A 127 2.649 -9.204 0.997 1.00 0.00 C ATOM 1751 CD1 ILE A 127 1.982 -7.602 -1.370 1.00 0.00 C ATOM 0 H ILE A 127 2.790 -9.371 -2.126 1.00 0.00 H new ATOM 0 HA ILE A 127 2.676 -11.498 -0.214 1.00 0.00 H new ATOM 0 HB ILE A 127 0.727 -10.077 0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 127 0.341 -8.948 -1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.295 -7.942 -0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 127 2.275 -8.394 1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 127 2.984 -10.027 1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 127 3.485 -8.843 0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 127 1.473 -6.821 -1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 127 2.583 -7.148 -0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 127 2.630 -8.169 -2.038 1.00 0.00 H new