USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 663 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -1.91! K(o=-1.9!,f=-0.67) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.902 K(o=-0.9,f=-0.24) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.029) USER MOD Single : A 34 SER OG : rot 180:sc= 0.164 USER MOD Single : A 40 THR OG1 : rot 97:sc= 1.17 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -160:sc= -0.797 USER MOD Single : A 90 THR OG1 : rot -85:sc= -0.0659 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 171:sc= -5.32! USER MOD Single : A 97 THR OG1 : rot 48:sc= -0.217 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -4.88! C(o=-4.9!,f=-8.4!) USER MOD Single : A 121 GLN : amide:sc= -0.0491 K(o=-0.049,f=-1.4!) USER MOD Single : A 123 ASN : amide:sc= 0.57 K(o=0.57,f=-4.6!) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0.00543 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 3 23.848 7.508 -4.847 0.50 0.00 N ATOM 45 CA GLU A 3 23.577 7.862 -3.422 0.50 0.00 C ATOM 46 C GLU A 3 22.862 6.709 -2.702 0.50 0.00 C ATOM 47 O GLU A 3 22.063 6.011 -3.292 0.50 0.00 O ATOM 48 CB GLU A 3 22.670 9.092 -3.489 0.50 0.00 C ATOM 49 CG GLU A 3 23.512 10.332 -3.800 0.50 0.00 C ATOM 50 CD GLU A 3 23.880 11.041 -2.496 0.50 0.00 C ATOM 51 OE1 GLU A 3 23.045 11.074 -1.606 0.50 0.00 O ATOM 52 OE2 GLU A 3 24.990 11.539 -2.407 0.50 0.00 O ATOM 0 HA GLU A 3 24.495 8.054 -2.868 0.50 0.00 H new ATOM 0 HB2 GLU A 3 21.909 8.954 -4.257 0.50 0.00 H new ATOM 0 HB3 GLU A 3 22.147 9.223 -2.542 0.50 0.00 H new ATOM 0 HG2 GLU A 3 24.416 10.045 -4.338 0.50 0.00 H new ATOM 0 HG3 GLU A 3 22.956 11.008 -4.449 0.50 0.00 H new ATOM 59 N PRO A 4 23.169 6.554 -1.435 0.50 0.00 N ATOM 60 CA PRO A 4 22.542 5.484 -0.619 0.50 0.00 C ATOM 61 C PRO A 4 21.039 5.734 -0.447 0.50 0.00 C ATOM 62 O PRO A 4 20.628 6.824 -0.104 0.50 0.00 O ATOM 63 CB PRO A 4 23.274 5.577 0.720 0.50 0.00 C ATOM 64 CG PRO A 4 23.780 6.980 0.771 0.50 0.00 C ATOM 65 CD PRO A 4 24.117 7.348 -0.648 0.50 0.00 C ATOM 0 HA PRO A 4 22.625 4.498 -1.076 0.50 0.00 H new ATOM 0 HB2 PRO A 4 22.605 5.366 1.554 0.50 0.00 H new ATOM 0 HB3 PRO A 4 24.091 4.858 0.777 0.50 0.00 H new ATOM 0 HG2 PRO A 4 23.026 7.653 1.181 0.50 0.00 H new ATOM 0 HG3 PRO A 4 24.657 7.056 1.413 0.50 0.00 H new ATOM 0 HD2 PRO A 4 23.993 8.416 -0.827 0.50 0.00 H new ATOM 0 HD3 PRO A 4 25.150 7.101 -0.893 0.50 0.00 H new ATOM 73 N PRO A 5 20.267 4.704 -0.693 0.50 0.00 N ATOM 74 CA PRO A 5 18.791 4.809 -0.562 0.50 0.00 C ATOM 75 C PRO A 5 18.400 4.963 0.907 0.50 0.00 C ATOM 76 O PRO A 5 18.977 4.346 1.781 0.50 0.00 O ATOM 77 CB PRO A 5 18.290 3.477 -1.113 0.50 0.00 C ATOM 78 CG PRO A 5 19.434 2.542 -0.924 0.50 0.00 C ATOM 79 CD PRO A 5 20.679 3.358 -1.107 0.50 0.00 C ATOM 0 HA PRO A 5 18.373 5.669 -1.085 0.50 0.00 H new ATOM 0 HB2 PRO A 5 17.404 3.134 -0.578 0.50 0.00 H new ATOM 0 HB3 PRO A 5 18.015 3.560 -2.164 0.50 0.00 H new ATOM 0 HG2 PRO A 5 19.407 2.090 0.068 0.50 0.00 H new ATOM 0 HG3 PRO A 5 19.394 1.727 -1.647 0.50 0.00 H new ATOM 0 HD2 PRO A 5 21.499 2.983 -0.495 0.50 0.00 H new ATOM 0 HD3 PRO A 5 21.021 3.343 -2.142 0.50 0.00 H new ATOM 87 N LYS A 6 17.422 5.778 1.183 0.50 0.00 N ATOM 88 CA LYS A 6 16.987 5.972 2.594 0.50 0.00 C ATOM 89 C LYS A 6 15.689 6.776 2.634 0.50 0.00 C ATOM 90 O LYS A 6 15.433 7.599 1.777 0.50 0.00 O ATOM 91 CB LYS A 6 18.123 6.753 3.261 0.50 0.00 C ATOM 92 CG LYS A 6 18.985 5.802 4.098 0.50 0.00 C ATOM 93 CD LYS A 6 18.989 6.262 5.558 0.50 0.00 C ATOM 94 CE LYS A 6 20.203 7.159 5.808 0.50 0.00 C ATOM 95 NZ LYS A 6 19.847 7.963 7.010 0.50 0.00 N ATOM 0 H LYS A 6 16.904 6.320 0.491 0.50 0.00 H new ATOM 0 HA LYS A 6 16.795 5.026 3.101 0.50 0.00 H new ATOM 0 HB2 LYS A 6 18.735 7.241 2.503 0.50 0.00 H new ATOM 0 HB3 LYS A 6 17.713 7.540 3.894 0.50 0.00 H new ATOM 0 HG2 LYS A 6 18.597 4.786 4.028 0.50 0.00 H new ATOM 0 HG3 LYS A 6 20.003 5.782 3.710 0.50 0.00 H new ATOM 0 HD2 LYS A 6 18.071 6.805 5.782 0.50 0.00 H new ATOM 0 HD3 LYS A 6 19.019 5.398 6.222 0.50 0.00 H new ATOM 0 HE2 LYS A 6 21.102 6.567 5.981 0.50 0.00 H new ATOM 0 HE3 LYS A 6 20.404 7.800 4.950 0.50 0.00 H new ATOM 0 HZ1 LYS A 6 20.632 8.604 7.244 0.50 0.00 H new ATOM 0 HZ2 LYS A 6 18.992 8.521 6.814 0.50 0.00 H new ATOM 0 HZ3 LYS A 6 19.668 7.327 7.813 0.50 0.00 H new ATOM 109 N ILE A 7 14.872 6.549 3.625 0.50 0.00 N ATOM 110 CA ILE A 7 13.592 7.308 3.726 0.50 0.00 C ATOM 111 C ILE A 7 13.895 8.755 4.135 0.50 0.00 C ATOM 112 O ILE A 7 13.512 9.208 5.195 0.50 0.00 O ATOM 113 CB ILE A 7 12.777 6.588 4.810 0.50 0.00 C ATOM 114 CG1 ILE A 7 12.760 5.067 4.555 0.50 0.00 C ATOM 115 CG2 ILE A 7 11.342 7.114 4.802 0.50 0.00 C ATOM 116 CD1 ILE A 7 12.458 4.768 3.079 0.50 0.00 C ATOM 0 H ILE A 7 15.035 5.871 4.370 0.50 0.00 H new ATOM 0 HA ILE A 7 13.045 7.344 2.784 0.50 0.00 H new ATOM 0 HB ILE A 7 13.240 6.779 5.778 0.50 0.00 H new ATOM 0 HG12 ILE A 7 13.723 4.636 4.829 0.50 0.00 H new ATOM 0 HG13 ILE A 7 12.008 4.595 5.188 0.50 0.00 H new ATOM 0 HG21 ILE A 7 10.763 6.603 5.571 0.50 0.00 H new ATOM 0 HG22 ILE A 7 11.346 8.185 5.002 0.50 0.00 H new ATOM 0 HG23 ILE A 7 10.892 6.929 3.827 0.50 0.00 H new ATOM 0 HD11 ILE A 7 12.451 3.690 2.920 0.50 0.00 H new ATOM 0 HD12 ILE A 7 11.484 5.180 2.816 0.50 0.00 H new ATOM 0 HD13 ILE A 7 13.225 5.222 2.451 0.50 0.00 H new ATOM 128 N HIS A 8 14.594 9.473 3.295 0.50 0.00 N ATOM 129 CA HIS A 8 14.951 10.887 3.611 0.50 0.00 C ATOM 130 C HIS A 8 14.338 11.823 2.562 0.50 0.00 C ATOM 131 O HIS A 8 14.118 11.437 1.430 0.50 0.00 O ATOM 132 CB HIS A 8 16.485 10.904 3.543 0.50 0.00 C ATOM 133 CG HIS A 8 17.008 12.314 3.620 0.50 0.00 C ATOM 134 ND1 HIS A 8 17.893 12.722 4.605 0.50 0.00 N ATOM 135 CD2 HIS A 8 16.798 13.415 2.827 0.50 0.00 C ATOM 136 CE1 HIS A 8 18.182 14.016 4.380 0.50 0.00 C ATOM 137 NE2 HIS A 8 17.541 14.488 3.307 0.50 0.00 N ATOM 0 H HIS A 8 14.936 9.136 2.395 0.50 0.00 H new ATOM 0 HA HIS A 8 14.580 11.223 4.579 0.50 0.00 H new ATOM 0 HB2 HIS A 8 16.896 10.314 4.362 0.50 0.00 H new ATOM 0 HB3 HIS A 8 16.818 10.438 2.615 0.50 0.00 H new ATOM 0 HD2 HIS A 8 16.153 13.443 1.961 0.50 0.00 H new ATOM 0 HE1 HIS A 8 18.851 14.602 4.992 0.50 0.00 H new ATOM 0 HE2 HIS A 8 17.587 15.432 2.923 0.50 0.00 H new ATOM 232 N ILE A 15 8.568 10.651 5.868 0.50 0.00 N ATOM 233 CA ILE A 15 7.653 10.319 4.739 0.50 0.00 C ATOM 234 C ILE A 15 6.244 10.047 5.289 0.50 0.00 C ATOM 235 O ILE A 15 6.065 9.173 6.115 0.50 0.00 O ATOM 236 CB ILE A 15 8.258 9.060 4.096 0.50 0.00 C ATOM 237 CG1 ILE A 15 9.272 9.483 3.027 0.50 0.00 C ATOM 238 CG2 ILE A 15 7.156 8.212 3.445 0.50 0.00 C ATOM 239 CD1 ILE A 15 9.933 8.245 2.410 0.50 0.00 C ATOM 0 HA ILE A 15 7.559 11.125 4.012 0.50 0.00 H new ATOM 0 HB ILE A 15 8.750 8.466 4.866 0.50 0.00 H new ATOM 0 HG12 ILE A 15 8.773 10.064 2.251 0.50 0.00 H new ATOM 0 HG13 ILE A 15 10.031 10.128 3.469 0.50 0.00 H new ATOM 0 HG21 ILE A 15 7.599 7.324 2.994 0.50 0.00 H new ATOM 0 HG22 ILE A 15 6.433 7.912 4.203 0.50 0.00 H new ATOM 0 HG23 ILE A 15 6.653 8.798 2.675 0.50 0.00 H new ATOM 0 HD11 ILE A 15 10.652 8.556 1.652 0.50 0.00 H new ATOM 0 HD12 ILE A 15 10.448 7.681 3.188 0.50 0.00 H new ATOM 0 HD13 ILE A 15 9.170 7.616 1.951 0.50 0.00 H new ATOM 251 N PRO A 16 5.285 10.805 4.818 0.50 0.00 N ATOM 252 CA PRO A 16 3.886 10.632 5.284 0.50 0.00 C ATOM 253 C PRO A 16 3.287 9.342 4.714 0.50 0.00 C ATOM 254 O PRO A 16 2.299 9.366 4.007 0.50 0.00 O ATOM 255 CB PRO A 16 3.166 11.858 4.729 0.50 0.00 C ATOM 256 CG PRO A 16 3.976 12.280 3.547 0.50 0.00 C ATOM 257 CD PRO A 16 5.402 11.882 3.824 0.50 0.00 C ATOM 0 HA PRO A 16 3.804 10.552 6.368 0.50 0.00 H new ATOM 0 HB2 PRO A 16 2.143 11.618 4.441 0.50 0.00 H new ATOM 0 HB3 PRO A 16 3.109 12.653 5.473 0.50 0.00 H new ATOM 0 HG2 PRO A 16 3.611 11.800 2.639 0.50 0.00 H new ATOM 0 HG3 PRO A 16 3.899 13.356 3.392 0.50 0.00 H new ATOM 0 HD2 PRO A 16 5.903 11.537 2.919 0.50 0.00 H new ATOM 0 HD3 PRO A 16 5.982 12.720 4.210 0.50 0.00 H new ATOM 265 N ASP A 17 3.881 8.217 5.015 0.50 0.00 N ATOM 266 CA ASP A 17 3.348 6.922 4.488 0.50 0.00 C ATOM 267 C ASP A 17 1.950 6.646 5.058 0.50 0.00 C ATOM 268 O ASP A 17 1.781 5.881 5.983 0.50 0.00 O ATOM 269 CB ASP A 17 4.344 5.847 4.949 0.50 0.00 C ATOM 270 CG ASP A 17 4.712 6.055 6.423 0.50 0.00 C ATOM 271 OD1 ASP A 17 3.824 5.975 7.256 0.50 0.00 O ATOM 272 OD2 ASP A 17 5.878 6.291 6.692 0.50 0.00 O ATOM 0 H ASP A 17 4.711 8.137 5.602 0.50 0.00 H new ATOM 0 HA ASP A 17 3.249 6.937 3.403 0.50 0.00 H new ATOM 0 HB2 ASP A 17 3.909 4.857 4.813 0.50 0.00 H new ATOM 0 HB3 ASP A 17 5.243 5.888 4.334 0.50 0.00 H new ATOM 277 N THR A 18 0.948 7.264 4.499 0.50 0.00 N ATOM 278 CA THR A 18 -0.447 7.042 4.984 0.50 0.00 C ATOM 279 C THR A 18 -1.402 6.995 3.793 0.50 0.00 C ATOM 280 O THR A 18 -1.590 7.977 3.100 0.50 0.00 O ATOM 281 CB THR A 18 -0.758 8.240 5.883 0.50 0.00 C ATOM 282 OG1 THR A 18 -2.135 8.219 6.236 0.50 0.00 O ATOM 283 CG2 THR A 18 -0.442 9.539 5.141 0.50 0.00 C ATOM 0 H THR A 18 1.034 7.918 3.721 0.50 0.00 H new ATOM 0 HA THR A 18 -0.557 6.101 5.524 0.50 0.00 H new ATOM 0 HB THR A 18 -0.148 8.184 6.784 0.50 0.00 H new ATOM 0 HG1 THR A 18 -2.336 8.985 6.813 0.50 0.00 H new ATOM 0 HG21 THR A 18 -0.665 10.390 5.785 0.50 0.00 H new ATOM 0 HG22 THR A 18 0.614 9.556 4.870 0.50 0.00 H new ATOM 0 HG23 THR A 18 -1.049 9.599 4.238 0.50 0.00 H new ATOM 291 N ILE A 19 -2.002 5.867 3.539 0.50 0.00 N ATOM 292 CA ILE A 19 -2.935 5.773 2.380 0.50 0.00 C ATOM 293 C ILE A 19 -4.387 5.652 2.856 0.50 0.00 C ATOM 294 O ILE A 19 -4.743 4.739 3.572 0.50 0.00 O ATOM 295 CB ILE A 19 -2.496 4.516 1.621 0.50 0.00 C ATOM 296 CG1 ILE A 19 -3.271 4.429 0.309 0.50 0.00 C ATOM 297 CG2 ILE A 19 -2.771 3.266 2.460 0.50 0.00 C ATOM 298 CD1 ILE A 19 -2.852 5.580 -0.606 0.50 0.00 C ATOM 0 H ILE A 19 -1.889 5.010 4.080 0.50 0.00 H new ATOM 0 HA ILE A 19 -2.898 6.662 1.750 0.50 0.00 H new ATOM 0 HB ILE A 19 -1.426 4.575 1.419 0.50 0.00 H new ATOM 0 HG12 ILE A 19 -3.077 3.473 -0.178 0.50 0.00 H new ATOM 0 HG13 ILE A 19 -4.343 4.476 0.503 0.50 0.00 H new ATOM 0 HG21 ILE A 19 -2.454 2.381 1.909 0.50 0.00 H new ATOM 0 HG22 ILE A 19 -2.217 3.327 3.397 0.50 0.00 H new ATOM 0 HG23 ILE A 19 -3.838 3.198 2.673 0.50 0.00 H new ATOM 0 HD11 ILE A 19 -3.405 5.519 -1.544 0.50 0.00 H new ATOM 0 HD12 ILE A 19 -3.069 6.530 -0.118 0.50 0.00 H new ATOM 0 HD13 ILE A 19 -1.783 5.512 -0.810 0.50 0.00 H new ATOM 310 N VAL A 20 -5.231 6.566 2.458 0.50 0.00 N ATOM 311 CA VAL A 20 -6.656 6.500 2.883 0.50 0.00 C ATOM 312 C VAL A 20 -7.565 6.444 1.653 0.50 0.00 C ATOM 313 O VAL A 20 -7.222 6.926 0.591 0.50 0.00 O ATOM 314 CB VAL A 20 -6.896 7.783 3.677 0.50 0.00 C ATOM 315 CG1 VAL A 20 -8.347 7.816 4.160 0.50 0.00 C ATOM 316 CG2 VAL A 20 -5.958 7.818 4.887 0.50 0.00 C ATOM 0 H VAL A 20 -4.994 7.355 1.857 0.50 0.00 H new ATOM 0 HA VAL A 20 -6.872 5.613 3.479 0.50 0.00 H new ATOM 0 HB VAL A 20 -6.702 8.646 3.041 0.50 0.00 H new ATOM 0 HG11 VAL A 20 -8.521 8.731 4.727 0.50 0.00 H new ATOM 0 HG12 VAL A 20 -9.017 7.789 3.301 0.50 0.00 H new ATOM 0 HG13 VAL A 20 -8.538 6.952 4.797 0.50 0.00 H new ATOM 0 HG21 VAL A 20 -6.129 8.733 5.454 0.50 0.00 H new ATOM 0 HG22 VAL A 20 -6.153 6.955 5.524 0.50 0.00 H new ATOM 0 HG23 VAL A 20 -4.923 7.790 4.546 0.50 0.00 H new ATOM 326 N VAL A 21 -8.715 5.850 1.792 0.50 0.00 N ATOM 327 CA VAL A 21 -9.655 5.743 0.638 0.50 0.00 C ATOM 328 C VAL A 21 -11.099 5.736 1.142 0.50 0.00 C ATOM 329 O VAL A 21 -11.360 5.440 2.288 0.50 0.00 O ATOM 330 CB VAL A 21 -9.308 4.408 -0.026 0.50 0.00 C ATOM 331 CG1 VAL A 21 -9.404 3.278 1.005 0.50 0.00 C ATOM 332 CG2 VAL A 21 -10.287 4.133 -1.173 0.50 0.00 C ATOM 0 H VAL A 21 -9.049 5.431 2.660 0.50 0.00 H new ATOM 0 HA VAL A 21 -9.564 6.578 -0.056 0.50 0.00 H new ATOM 0 HB VAL A 21 -8.292 4.457 -0.418 0.50 0.00 H new ATOM 0 HG11 VAL A 21 -9.156 2.329 0.529 0.50 0.00 H new ATOM 0 HG12 VAL A 21 -8.705 3.468 1.820 0.50 0.00 H new ATOM 0 HG13 VAL A 21 -10.419 3.232 1.401 0.50 0.00 H new ATOM 0 HG21 VAL A 21 -10.038 3.182 -1.644 0.50 0.00 H new ATOM 0 HG22 VAL A 21 -11.303 4.089 -0.781 0.50 0.00 H new ATOM 0 HG23 VAL A 21 -10.217 4.933 -1.911 0.50 0.00 H new ATOM 342 N VAL A 22 -12.039 6.057 0.294 0.50 0.00 N ATOM 343 CA VAL A 22 -13.465 6.064 0.732 0.50 0.00 C ATOM 344 C VAL A 22 -14.163 4.780 0.269 0.50 0.00 C ATOM 345 O VAL A 22 -15.195 4.819 -0.370 0.50 0.00 O ATOM 346 CB VAL A 22 -14.087 7.291 0.060 0.50 0.00 C ATOM 347 CG1 VAL A 22 -15.558 7.408 0.466 0.50 0.00 C ATOM 348 CG2 VAL A 22 -13.338 8.553 0.501 0.50 0.00 C ATOM 0 H VAL A 22 -11.882 6.314 -0.681 0.50 0.00 H new ATOM 0 HA VAL A 22 -13.564 6.107 1.817 0.50 0.00 H new ATOM 0 HB VAL A 22 -14.015 7.183 -1.022 0.50 0.00 H new ATOM 0 HG11 VAL A 22 -15.999 8.282 -0.013 0.50 0.00 H new ATOM 0 HG12 VAL A 22 -16.094 6.512 0.152 0.50 0.00 H new ATOM 0 HG13 VAL A 22 -15.629 7.513 1.549 0.50 0.00 H new ATOM 0 HG21 VAL A 22 -13.782 9.426 0.022 0.50 0.00 H new ATOM 0 HG22 VAL A 22 -13.409 8.658 1.584 0.50 0.00 H new ATOM 0 HG23 VAL A 22 -12.290 8.474 0.212 0.50 0.00 H new ATOM 358 N ALA A 23 -13.601 3.645 0.598 0.50 0.00 N ATOM 359 CA ALA A 23 -14.213 2.339 0.195 0.50 0.00 C ATOM 360 C ALA A 23 -14.662 2.358 -1.272 0.50 0.00 C ATOM 361 O ALA A 23 -15.769 2.750 -1.587 0.50 0.00 O ATOM 362 CB ALA A 23 -15.412 2.165 1.124 0.50 0.00 C ATOM 0 H ALA A 23 -12.737 3.565 1.133 0.50 0.00 H new ATOM 0 HA ALA A 23 -13.500 1.519 0.279 0.50 0.00 H new ATOM 0 HB1 ALA A 23 -15.918 1.228 0.893 0.50 0.00 H new ATOM 0 HB2 ALA A 23 -15.071 2.148 2.159 0.50 0.00 H new ATOM 0 HB3 ALA A 23 -16.104 2.995 0.984 0.50 0.00 H new ATOM 368 N GLY A 24 -13.813 1.926 -2.167 0.50 0.00 N ATOM 369 CA GLY A 24 -14.188 1.905 -3.611 0.50 0.00 C ATOM 370 C GLY A 24 -14.105 3.318 -4.194 0.50 0.00 C ATOM 371 O GLY A 24 -15.010 3.773 -4.866 0.50 0.00 O ATOM 0 H GLY A 24 -12.874 1.586 -1.959 0.50 0.00 H new ATOM 0 HA2 GLY A 24 -13.523 1.237 -4.158 0.50 0.00 H new ATOM 0 HA3 GLY A 24 -15.199 1.514 -3.727 0.50 0.00 H new ATOM 375 N ASN A 25 -13.029 4.014 -3.945 0.50 0.00 N ATOM 376 CA ASN A 25 -12.891 5.396 -4.491 0.50 0.00 C ATOM 377 C ASN A 25 -11.463 5.632 -4.987 0.50 0.00 C ATOM 378 O ASN A 25 -10.555 4.887 -4.673 0.50 0.00 O ATOM 379 CB ASN A 25 -13.208 6.322 -3.315 0.50 0.00 C ATOM 380 CG ASN A 25 -14.592 6.946 -3.512 0.50 0.00 C ATOM 381 OD1 ASN A 25 -15.534 6.264 -3.861 0.50 0.00 O ATOM 382 ND2 ASN A 25 -14.753 8.223 -3.299 0.50 0.00 N ATOM 0 H ASN A 25 -12.240 3.687 -3.388 0.50 0.00 H new ATOM 0 HA ASN A 25 -13.554 5.570 -5.339 0.50 0.00 H new ATOM 0 HB2 ASN A 25 -13.180 5.762 -2.380 0.50 0.00 H new ATOM 0 HB3 ASN A 25 -12.452 7.104 -3.241 0.50 0.00 H new ATOM 0 HD21 ASN A 25 -15.671 8.649 -3.426 0.50 0.00 H new ATOM 0 HD22 ASN A 25 -13.961 8.795 -3.006 0.50 0.00 H new ATOM 389 N LYS A 26 -11.256 6.672 -5.750 0.50 0.00 N ATOM 390 CA LYS A 26 -9.885 6.966 -6.260 0.50 0.00 C ATOM 391 C LYS A 26 -9.060 7.629 -5.155 0.50 0.00 C ATOM 392 O LYS A 26 -9.492 8.580 -4.533 0.50 0.00 O ATOM 393 CB LYS A 26 -10.091 7.927 -7.432 0.50 0.00 C ATOM 394 CG LYS A 26 -10.910 7.235 -8.524 0.50 0.00 C ATOM 395 CD LYS A 26 -10.311 7.557 -9.896 0.50 0.00 C ATOM 396 CE LYS A 26 -10.504 9.044 -10.205 0.50 0.00 C ATOM 397 NZ LYS A 26 -9.126 9.587 -10.364 0.50 0.00 N ATOM 0 H LYS A 26 -11.978 7.331 -6.042 0.50 0.00 H new ATOM 0 HA LYS A 26 -9.351 6.068 -6.569 0.50 0.00 H new ATOM 0 HB2 LYS A 26 -10.605 8.826 -7.092 0.50 0.00 H new ATOM 0 HB3 LYS A 26 -9.127 8.242 -7.831 0.50 0.00 H new ATOM 0 HG2 LYS A 26 -10.914 6.157 -8.362 0.50 0.00 H new ATOM 0 HG3 LYS A 26 -11.947 7.568 -8.481 0.50 0.00 H new ATOM 0 HD2 LYS A 26 -9.250 7.307 -9.908 0.50 0.00 H new ATOM 0 HD3 LYS A 26 -10.790 6.950 -10.665 0.50 0.00 H new ATOM 0 HE2 LYS A 26 -11.091 9.186 -11.112 0.50 0.00 H new ATOM 0 HE3 LYS A 26 -11.036 9.549 -9.399 0.50 0.00 H new ATOM 0 HZ1 LYS A 26 -9.175 10.548 -10.758 0.50 0.00 H new ATOM 0 HZ2 LYS A 26 -8.655 9.616 -9.437 0.50 0.00 H new ATOM 0 HZ3 LYS A 26 -8.584 8.976 -11.009 0.50 0.00 H new ATOM 411 N LEU A 27 -7.883 7.127 -4.894 0.50 0.00 N ATOM 412 CA LEU A 27 -7.043 7.723 -3.816 0.50 0.00 C ATOM 413 C LEU A 27 -5.607 7.940 -4.312 0.50 0.00 C ATOM 414 O LEU A 27 -5.092 7.182 -5.110 0.50 0.00 O ATOM 415 CB LEU A 27 -7.121 6.697 -2.673 0.50 0.00 C ATOM 416 CG LEU A 27 -5.725 6.260 -2.219 0.50 0.00 C ATOM 417 CD1 LEU A 27 -5.062 7.395 -1.432 0.50 0.00 C ATOM 418 CD2 LEU A 27 -5.862 5.030 -1.328 0.50 0.00 C ATOM 0 H LEU A 27 -7.468 6.332 -5.379 0.50 0.00 H new ATOM 0 HA LEU A 27 -7.385 8.707 -3.494 0.50 0.00 H new ATOM 0 HB2 LEU A 27 -7.661 7.129 -1.830 0.50 0.00 H new ATOM 0 HB3 LEU A 27 -7.688 5.826 -3.002 0.50 0.00 H new ATOM 0 HG LEU A 27 -5.110 6.022 -3.087 0.50 0.00 H new ATOM 0 HD11 LEU A 27 -4.069 7.082 -1.110 0.50 0.00 H new ATOM 0 HD12 LEU A 27 -4.977 8.277 -2.067 0.50 0.00 H new ATOM 0 HD13 LEU A 27 -5.668 7.635 -0.558 0.50 0.00 H new ATOM 0 HD21 LEU A 27 -4.874 4.708 -0.998 0.50 0.00 H new ATOM 0 HD22 LEU A 27 -6.473 5.276 -0.459 0.50 0.00 H new ATOM 0 HD23 LEU A 27 -6.337 4.225 -1.889 0.50 0.00 H new ATOM 430 N ARG A 28 -4.959 8.973 -3.837 0.50 0.00 N ATOM 431 CA ARG A 28 -3.557 9.246 -4.269 0.50 0.00 C ATOM 432 C ARG A 28 -2.657 9.434 -3.045 0.50 0.00 C ATOM 433 O ARG A 28 -3.066 9.988 -2.043 0.50 0.00 O ATOM 434 CB ARG A 28 -3.636 10.541 -5.080 0.50 0.00 C ATOM 435 CG ARG A 28 -4.006 10.216 -6.530 0.50 0.00 C ATOM 436 CD ARG A 28 -2.734 10.130 -7.379 0.50 0.00 C ATOM 437 NE ARG A 28 -2.917 11.144 -8.454 0.50 0.00 N ATOM 438 CZ ARG A 28 -3.304 10.772 -9.644 0.50 0.00 C ATOM 439 NH1 ARG A 28 -2.780 9.713 -10.199 0.50 0.00 N ATOM 440 NH2 ARG A 28 -4.212 11.460 -10.279 0.50 0.00 N ATOM 0 H ARG A 28 -5.342 9.640 -3.167 0.50 0.00 H new ATOM 0 HA ARG A 28 -3.137 8.426 -4.852 0.50 0.00 H new ATOM 0 HB2 ARG A 28 -4.379 11.210 -4.645 0.50 0.00 H new ATOM 0 HB3 ARG A 28 -2.679 11.062 -5.046 0.50 0.00 H new ATOM 0 HG2 ARG A 28 -4.549 9.272 -6.574 0.50 0.00 H new ATOM 0 HG3 ARG A 28 -4.669 10.984 -6.927 0.50 0.00 H new ATOM 0 HD2 ARG A 28 -1.847 10.343 -6.783 0.50 0.00 H new ATOM 0 HD3 ARG A 28 -2.605 9.131 -7.797 0.50 0.00 H new ATOM 0 HE ARG A 28 -2.740 12.130 -8.260 0.50 0.00 H new ATOM 0 HH11 ARG A 28 -2.068 9.176 -9.703 0.50 0.00 H new ATOM 0 HH12 ARG A 28 -3.082 9.422 -11.129 0.50 0.00 H new ATOM 0 HH21 ARG A 28 -4.620 12.289 -9.846 0.50 0.00 H new ATOM 0 HH22 ARG A 28 -4.514 11.169 -11.209 0.50 0.00 H new ATOM 454 N LEU A 29 -1.434 8.980 -3.118 0.50 0.00 N ATOM 455 CA LEU A 29 -0.506 9.134 -1.959 0.50 0.00 C ATOM 456 C LEU A 29 0.883 9.540 -2.459 0.50 0.00 C ATOM 457 O LEU A 29 1.419 8.946 -3.374 0.50 0.00 O ATOM 458 CB LEU A 29 -0.472 7.752 -1.299 0.50 0.00 C ATOM 459 CG LEU A 29 0.589 7.718 -0.194 0.50 0.00 C ATOM 460 CD1 LEU A 29 0.254 8.763 0.869 0.50 0.00 C ATOM 461 CD2 LEU A 29 0.618 6.330 0.454 0.50 0.00 C ATOM 0 H LEU A 29 -1.037 8.509 -3.931 0.50 0.00 H new ATOM 0 HA LEU A 29 -0.827 9.905 -1.259 0.50 0.00 H new ATOM 0 HB2 LEU A 29 -1.451 7.517 -0.881 0.50 0.00 H new ATOM 0 HB3 LEU A 29 -0.253 6.989 -2.047 0.50 0.00 H new ATOM 0 HG LEU A 29 1.565 7.936 -0.628 0.50 0.00 H new ATOM 0 HD11 LEU A 29 1.009 8.738 1.655 0.50 0.00 H new ATOM 0 HD12 LEU A 29 0.237 9.753 0.413 0.50 0.00 H new ATOM 0 HD13 LEU A 29 -0.724 8.545 1.299 0.50 0.00 H new ATOM 0 HD21 LEU A 29 1.374 6.311 1.239 0.50 0.00 H new ATOM 0 HD22 LEU A 29 -0.359 6.109 0.885 0.50 0.00 H new ATOM 0 HD23 LEU A 29 0.859 5.581 -0.300 0.50 0.00 H new ATOM 473 N ASP A 30 1.463 10.555 -1.875 0.50 0.00 N ATOM 474 CA ASP A 30 2.811 11.005 -2.331 0.50 0.00 C ATOM 475 C ASP A 30 3.801 11.041 -1.162 0.50 0.00 C ATOM 476 O ASP A 30 3.526 11.594 -0.115 0.50 0.00 O ATOM 477 CB ASP A 30 2.587 12.417 -2.883 0.50 0.00 C ATOM 478 CG ASP A 30 3.021 12.471 -4.349 0.50 0.00 C ATOM 479 OD1 ASP A 30 4.188 12.730 -4.591 0.50 0.00 O ATOM 480 OD2 ASP A 30 2.180 12.252 -5.204 0.50 0.00 O ATOM 0 H ASP A 30 1.063 11.090 -1.104 0.50 0.00 H new ATOM 0 HA ASP A 30 3.234 10.330 -3.074 0.50 0.00 H new ATOM 0 HB2 ASP A 30 1.536 12.690 -2.794 0.50 0.00 H new ATOM 0 HB3 ASP A 30 3.155 13.141 -2.298 0.50 0.00 H new ATOM 485 N VAL A 31 4.957 10.459 -1.342 0.50 0.00 N ATOM 486 CA VAL A 31 5.983 10.458 -0.258 0.50 0.00 C ATOM 487 C VAL A 31 7.390 10.516 -0.877 0.50 0.00 C ATOM 488 O VAL A 31 7.766 9.645 -1.636 0.50 0.00 O ATOM 489 CB VAL A 31 5.771 9.145 0.502 0.50 0.00 C ATOM 490 CG1 VAL A 31 4.482 9.234 1.321 0.50 0.00 C ATOM 491 CG2 VAL A 31 5.665 7.978 -0.484 0.50 0.00 C ATOM 0 H VAL A 31 5.236 9.981 -2.199 0.50 0.00 H new ATOM 0 HA VAL A 31 5.890 11.317 0.406 0.50 0.00 H new ATOM 0 HB VAL A 31 6.619 8.977 1.165 0.50 0.00 H new ATOM 0 HG11 VAL A 31 4.330 8.300 1.862 0.50 0.00 H new ATOM 0 HG12 VAL A 31 4.558 10.057 2.031 0.50 0.00 H new ATOM 0 HG13 VAL A 31 3.638 9.408 0.653 0.50 0.00 H new ATOM 0 HG21 VAL A 31 5.514 7.049 0.066 0.50 0.00 H new ATOM 0 HG22 VAL A 31 4.822 8.143 -1.154 0.50 0.00 H new ATOM 0 HG23 VAL A 31 6.584 7.910 -1.067 0.50 0.00 H new ATOM 501 N PRO A 32 8.122 11.556 -0.550 0.50 0.00 N ATOM 502 CA PRO A 32 9.490 11.729 -1.107 0.50 0.00 C ATOM 503 C PRO A 32 10.496 10.783 -0.442 0.50 0.00 C ATOM 504 O PRO A 32 10.349 10.406 0.704 0.50 0.00 O ATOM 505 CB PRO A 32 9.826 13.181 -0.782 0.50 0.00 C ATOM 506 CG PRO A 32 8.981 13.526 0.404 0.50 0.00 C ATOM 507 CD PRO A 32 7.753 12.653 0.356 0.50 0.00 C ATOM 0 HA PRO A 32 9.535 11.501 -2.172 0.50 0.00 H new ATOM 0 HB2 PRO A 32 10.886 13.299 -0.557 0.50 0.00 H new ATOM 0 HB3 PRO A 32 9.605 13.834 -1.626 0.50 0.00 H new ATOM 0 HG2 PRO A 32 9.533 13.360 1.329 0.50 0.00 H new ATOM 0 HG3 PRO A 32 8.703 14.580 0.383 0.50 0.00 H new ATOM 0 HD2 PRO A 32 7.491 12.280 1.346 0.50 0.00 H new ATOM 0 HD3 PRO A 32 6.889 13.203 -0.016 0.50 0.00 H new ATOM 515 N ILE A 33 11.525 10.405 -1.161 0.50 0.00 N ATOM 516 CA ILE A 33 12.560 9.491 -0.585 0.50 0.00 C ATOM 517 C ILE A 33 13.934 9.834 -1.171 0.50 0.00 C ATOM 518 O ILE A 33 14.061 10.711 -2.004 0.50 0.00 O ATOM 519 CB ILE A 33 12.161 8.059 -0.989 0.50 0.00 C ATOM 520 CG1 ILE A 33 10.686 8.001 -1.418 0.50 0.00 C ATOM 521 CG2 ILE A 33 12.378 7.124 0.204 0.50 0.00 C ATOM 522 CD1 ILE A 33 10.336 6.582 -1.876 0.50 0.00 C ATOM 0 H ILE A 33 11.693 10.691 -2.125 0.50 0.00 H new ATOM 0 HA ILE A 33 12.617 9.591 0.499 0.50 0.00 H new ATOM 0 HB ILE A 33 12.779 7.748 -1.832 0.50 0.00 H new ATOM 0 HG12 ILE A 33 10.044 8.294 -0.587 0.50 0.00 H new ATOM 0 HG13 ILE A 33 10.504 8.709 -2.226 0.50 0.00 H new ATOM 0 HG21 ILE A 33 12.098 6.108 -0.074 0.50 0.00 H new ATOM 0 HG22 ILE A 33 13.428 7.144 0.495 0.50 0.00 H new ATOM 0 HG23 ILE A 33 11.763 7.454 1.041 0.50 0.00 H new ATOM 0 HD11 ILE A 33 9.290 6.545 -2.179 0.50 0.00 H new ATOM 0 HD12 ILE A 33 10.968 6.306 -2.720 0.50 0.00 H new ATOM 0 HD13 ILE A 33 10.501 5.884 -1.055 0.50 0.00 H new ATOM 534 N SER A 34 14.964 9.147 -0.749 0.50 0.00 N ATOM 535 CA SER A 34 16.326 9.431 -1.291 0.50 0.00 C ATOM 536 C SER A 34 16.626 8.493 -2.468 0.50 0.00 C ATOM 537 O SER A 34 15.746 8.153 -3.232 0.50 0.00 O ATOM 538 CB SER A 34 17.278 9.166 -0.123 0.50 0.00 C ATOM 539 OG SER A 34 18.545 9.743 -0.412 0.50 0.00 O ATOM 0 H SER A 34 14.921 8.402 -0.053 0.50 0.00 H new ATOM 0 HA SER A 34 16.425 10.449 -1.667 0.50 0.00 H new ATOM 0 HB2 SER A 34 16.873 9.591 0.795 0.50 0.00 H new ATOM 0 HB3 SER A 34 17.382 8.093 0.041 0.50 0.00 H new ATOM 0 HG SER A 34 19.158 9.577 0.335 0.50 0.00 H new ATOM 545 N GLY A 35 17.856 8.074 -2.624 0.50 0.00 N ATOM 546 CA GLY A 35 18.196 7.160 -3.753 0.50 0.00 C ATOM 547 C GLY A 35 18.434 7.978 -5.023 0.50 0.00 C ATOM 548 O GLY A 35 17.804 8.994 -5.245 0.50 0.00 O ATOM 0 H GLY A 35 18.638 8.325 -2.019 0.50 0.00 H new ATOM 0 HA2 GLY A 35 19.087 6.581 -3.509 0.50 0.00 H new ATOM 0 HA3 GLY A 35 17.387 6.448 -3.914 0.50 0.00 H new ATOM 552 N ASP A 36 19.339 7.543 -5.860 0.50 0.00 N ATOM 553 CA ASP A 36 19.619 8.296 -7.118 0.50 0.00 C ATOM 554 C ASP A 36 20.134 7.337 -8.207 0.50 0.00 C ATOM 555 O ASP A 36 21.052 6.583 -7.963 0.50 0.00 O ATOM 556 CB ASP A 36 20.707 9.300 -6.737 0.50 0.00 C ATOM 557 CG ASP A 36 20.538 10.576 -7.565 0.50 0.00 C ATOM 558 OD1 ASP A 36 19.519 11.228 -7.410 0.50 0.00 O ATOM 559 OD2 ASP A 36 21.431 10.878 -8.339 0.50 0.00 O ATOM 0 H ASP A 36 19.896 6.699 -5.727 0.50 0.00 H new ATOM 0 HA ASP A 36 18.729 8.784 -7.517 0.50 0.00 H new ATOM 0 HB2 ASP A 36 20.645 9.533 -5.674 0.50 0.00 H new ATOM 0 HB3 ASP A 36 21.692 8.868 -6.912 0.50 0.00 H new ATOM 564 N PRO A 37 19.537 7.388 -9.381 0.50 0.00 N ATOM 565 CA PRO A 37 18.413 8.319 -9.659 0.50 0.00 C ATOM 566 C PRO A 37 17.115 7.806 -9.023 0.50 0.00 C ATOM 567 O PRO A 37 16.617 8.376 -8.072 0.50 0.00 O ATOM 568 CB PRO A 37 18.318 8.326 -11.182 0.50 0.00 C ATOM 569 CG PRO A 37 18.914 7.026 -11.626 0.50 0.00 C ATOM 570 CD PRO A 37 19.874 6.572 -10.555 0.50 0.00 C ATOM 0 HA PRO A 37 18.571 9.315 -9.246 0.50 0.00 H new ATOM 0 HB2 PRO A 37 17.282 8.415 -11.510 0.50 0.00 H new ATOM 0 HB3 PRO A 37 18.861 9.171 -11.605 0.50 0.00 H new ATOM 0 HG2 PRO A 37 18.134 6.281 -11.781 0.50 0.00 H new ATOM 0 HG3 PRO A 37 19.432 7.148 -12.577 0.50 0.00 H new ATOM 0 HD2 PRO A 37 19.758 5.509 -10.345 0.50 0.00 H new ATOM 0 HD3 PRO A 37 20.909 6.726 -10.860 0.50 0.00 H new ATOM 578 N ALA A 38 16.563 6.737 -9.537 0.50 0.00 N ATOM 579 CA ALA A 38 15.299 6.197 -8.957 0.50 0.00 C ATOM 580 C ALA A 38 15.591 4.957 -8.102 0.50 0.00 C ATOM 581 O ALA A 38 16.228 4.028 -8.560 0.50 0.00 O ATOM 582 CB ALA A 38 14.437 5.826 -10.162 0.50 0.00 C ATOM 0 H ALA A 38 16.933 6.216 -10.332 0.50 0.00 H new ATOM 0 HA ALA A 38 14.804 6.919 -8.307 0.50 0.00 H new ATOM 0 HB1 ALA A 38 13.486 5.420 -9.818 0.50 0.00 H new ATOM 0 HB2 ALA A 38 14.254 6.715 -10.766 0.50 0.00 H new ATOM 0 HB3 ALA A 38 14.955 5.079 -10.763 0.50 0.00 H new ATOM 588 N PRO A 39 15.119 4.983 -6.879 0.50 0.00 N ATOM 589 CA PRO A 39 15.337 3.848 -5.957 0.50 0.00 C ATOM 590 C PRO A 39 14.270 2.774 -6.169 0.50 0.00 C ATOM 591 O PRO A 39 13.538 2.795 -7.139 0.50 0.00 O ATOM 592 CB PRO A 39 15.185 4.482 -4.580 0.50 0.00 C ATOM 593 CG PRO A 39 14.315 5.689 -4.781 0.50 0.00 C ATOM 594 CD PRO A 39 14.348 6.056 -6.247 0.50 0.00 C ATOM 0 HA PRO A 39 16.300 3.358 -6.101 0.50 0.00 H new ATOM 0 HB2 PRO A 39 14.730 3.785 -3.876 0.50 0.00 H new ATOM 0 HB3 PRO A 39 16.155 4.763 -4.169 0.50 0.00 H new ATOM 0 HG2 PRO A 39 13.293 5.478 -4.465 0.50 0.00 H new ATOM 0 HG3 PRO A 39 14.672 6.520 -4.173 0.50 0.00 H new ATOM 0 HD2 PRO A 39 13.342 6.119 -6.663 0.50 0.00 H new ATOM 0 HD3 PRO A 39 14.819 7.027 -6.402 0.50 0.00 H new ATOM 602 N THR A 40 14.168 1.842 -5.259 0.50 0.00 N ATOM 603 CA THR A 40 13.139 0.774 -5.398 0.50 0.00 C ATOM 604 C THR A 40 12.231 0.772 -4.168 0.50 0.00 C ATOM 605 O THR A 40 12.452 0.042 -3.221 0.50 0.00 O ATOM 606 CB THR A 40 13.924 -0.538 -5.482 0.50 0.00 C ATOM 607 OG1 THR A 40 15.171 -0.308 -6.123 0.50 0.00 O ATOM 608 CG2 THR A 40 13.120 -1.564 -6.282 0.50 0.00 C ATOM 0 H THR A 40 14.753 1.775 -4.426 0.50 0.00 H new ATOM 0 HA THR A 40 12.506 0.921 -6.273 0.50 0.00 H new ATOM 0 HB THR A 40 14.100 -0.919 -4.476 0.50 0.00 H new ATOM 0 HG1 THR A 40 15.868 -0.178 -5.446 0.50 0.00 H new ATOM 0 HG21 THR A 40 13.679 -2.498 -6.342 0.50 0.00 H new ATOM 0 HG22 THR A 40 12.165 -1.744 -5.788 0.50 0.00 H new ATOM 0 HG23 THR A 40 12.942 -1.183 -7.288 0.50 0.00 H new ATOM 616 N VAL A 41 11.207 1.580 -4.181 0.50 0.00 N ATOM 617 CA VAL A 41 10.274 1.632 -3.017 0.50 0.00 C ATOM 618 C VAL A 41 9.146 0.613 -3.214 0.50 0.00 C ATOM 619 O VAL A 41 8.207 0.837 -3.953 0.50 0.00 O ATOM 620 CB VAL A 41 9.741 3.069 -2.998 0.50 0.00 C ATOM 621 CG1 VAL A 41 9.035 3.386 -4.322 0.50 0.00 C ATOM 622 CG2 VAL A 41 8.749 3.229 -1.846 0.50 0.00 C ATOM 0 H VAL A 41 10.974 2.209 -4.950 0.50 0.00 H new ATOM 0 HA VAL A 41 10.757 1.381 -2.073 0.50 0.00 H new ATOM 0 HB VAL A 41 10.577 3.756 -2.864 0.50 0.00 H new ATOM 0 HG11 VAL A 41 8.660 4.409 -4.298 0.50 0.00 H new ATOM 0 HG12 VAL A 41 9.740 3.277 -5.146 0.50 0.00 H new ATOM 0 HG13 VAL A 41 8.202 2.697 -4.464 0.50 0.00 H new ATOM 0 HG21 VAL A 41 8.370 4.251 -1.832 0.50 0.00 H new ATOM 0 HG22 VAL A 41 7.919 2.536 -1.982 0.50 0.00 H new ATOM 0 HG23 VAL A 41 9.250 3.015 -0.902 0.50 0.00 H new ATOM 632 N ILE A 42 9.252 -0.519 -2.570 0.50 0.00 N ATOM 633 CA ILE A 42 8.217 -1.581 -2.722 0.50 0.00 C ATOM 634 C ILE A 42 7.152 -1.491 -1.622 0.50 0.00 C ATOM 635 O ILE A 42 7.417 -1.776 -0.472 0.50 0.00 O ATOM 636 CB ILE A 42 9.009 -2.881 -2.582 0.50 0.00 C ATOM 637 CG1 ILE A 42 10.012 -2.996 -3.733 0.50 0.00 C ATOM 638 CG2 ILE A 42 8.052 -4.071 -2.615 0.50 0.00 C ATOM 639 CD1 ILE A 42 10.890 -4.232 -3.528 0.50 0.00 C ATOM 0 H ILE A 42 10.019 -0.754 -1.940 0.50 0.00 H new ATOM 0 HA ILE A 42 7.680 -1.499 -3.667 0.50 0.00 H new ATOM 0 HB ILE A 42 9.546 -2.877 -1.633 0.50 0.00 H new ATOM 0 HG12 ILE A 42 9.483 -3.067 -4.684 0.50 0.00 H new ATOM 0 HG13 ILE A 42 10.632 -2.101 -3.779 0.50 0.00 H new ATOM 0 HG21 ILE A 42 8.619 -4.997 -2.515 0.50 0.00 H new ATOM 0 HG22 ILE A 42 7.342 -3.990 -1.792 0.50 0.00 H new ATOM 0 HG23 ILE A 42 7.511 -4.077 -3.561 0.50 0.00 H new ATOM 0 HD11 ILE A 42 11.603 -4.312 -4.348 0.50 0.00 H new ATOM 0 HD12 ILE A 42 11.430 -4.142 -2.585 0.50 0.00 H new ATOM 0 HD13 ILE A 42 10.263 -5.124 -3.504 0.50 0.00 H new ATOM 651 N TRP A 43 5.943 -1.126 -1.971 0.50 0.00 N ATOM 652 CA TRP A 43 4.857 -1.053 -0.945 0.50 0.00 C ATOM 653 C TRP A 43 4.399 -2.474 -0.588 0.50 0.00 C ATOM 654 O TRP A 43 3.798 -3.155 -1.396 0.50 0.00 O ATOM 655 CB TRP A 43 3.709 -0.287 -1.614 0.50 0.00 C ATOM 656 CG TRP A 43 4.121 1.125 -1.892 0.50 0.00 C ATOM 657 CD1 TRP A 43 4.491 1.598 -3.105 0.50 0.00 C ATOM 658 CD2 TRP A 43 4.206 2.252 -0.970 0.50 0.00 C ATOM 659 NE1 TRP A 43 4.798 2.943 -2.987 0.50 0.00 N ATOM 660 CE2 TRP A 43 4.641 3.390 -1.691 0.50 0.00 C ATOM 661 CE3 TRP A 43 3.956 2.398 0.407 0.50 0.00 C ATOM 662 CZ2 TRP A 43 4.820 4.626 -1.069 0.50 0.00 C ATOM 663 CZ3 TRP A 43 4.139 3.634 1.037 0.50 0.00 C ATOM 664 CH2 TRP A 43 4.572 4.748 0.303 0.50 0.00 C ATOM 0 H TRP A 43 5.662 -0.876 -2.919 0.50 0.00 H new ATOM 0 HA TRP A 43 5.187 -0.564 -0.029 0.50 0.00 H new ATOM 0 HB2 TRP A 43 3.426 -0.781 -2.544 0.50 0.00 H new ATOM 0 HB3 TRP A 43 2.831 -0.297 -0.968 0.50 0.00 H new ATOM 0 HD1 TRP A 43 4.539 1.020 -4.016 0.50 0.00 H new ATOM 0 HE1 TRP A 43 5.103 3.531 -3.763 0.50 0.00 H new ATOM 0 HE3 TRP A 43 3.620 1.548 0.983 0.50 0.00 H new ATOM 0 HZ2 TRP A 43 5.147 5.481 -1.641 0.50 0.00 H new ATOM 0 HZ3 TRP A 43 3.946 3.731 2.095 0.50 0.00 H new ATOM 0 HH2 TRP A 43 4.714 5.698 0.796 0.50 0.00 H new ATOM 675 N GLN A 44 4.678 -2.931 0.606 0.50 0.00 N ATOM 676 CA GLN A 44 4.255 -4.313 0.990 0.50 0.00 C ATOM 677 C GLN A 44 2.881 -4.284 1.661 0.50 0.00 C ATOM 678 O GLN A 44 2.372 -3.236 2.010 0.50 0.00 O ATOM 679 CB GLN A 44 5.317 -4.812 1.974 0.50 0.00 C ATOM 680 CG GLN A 44 6.702 -4.747 1.320 0.50 0.00 C ATOM 681 CD GLN A 44 7.207 -6.165 1.045 0.50 0.00 C ATOM 682 OE1 GLN A 44 6.924 -6.733 0.009 0.50 0.00 O ATOM 683 NE2 GLN A 44 7.947 -6.765 1.937 0.50 0.00 N ATOM 0 H GLN A 44 5.177 -2.411 1.328 0.50 0.00 H new ATOM 0 HA GLN A 44 4.173 -4.964 0.120 0.50 0.00 H new ATOM 0 HB2 GLN A 44 5.303 -4.203 2.878 0.50 0.00 H new ATOM 0 HB3 GLN A 44 5.095 -5.836 2.275 0.50 0.00 H new ATOM 0 HG2 GLN A 44 6.650 -4.182 0.389 0.50 0.00 H new ATOM 0 HG3 GLN A 44 7.399 -4.222 1.973 0.50 0.00 H new ATOM 0 HE21 GLN A 44 8.185 -6.288 2.807 0.50 0.00 H new ATOM 0 HE22 GLN A 44 8.288 -7.711 1.764 0.50 0.00 H new ATOM 692 N LYS A 45 2.277 -5.427 1.843 0.50 0.00 N ATOM 693 CA LYS A 45 0.935 -5.471 2.492 0.50 0.00 C ATOM 694 C LYS A 45 1.024 -6.160 3.856 0.50 0.00 C ATOM 695 O LYS A 45 0.800 -7.349 3.975 0.50 0.00 O ATOM 696 CB LYS A 45 0.063 -6.289 1.539 0.50 0.00 C ATOM 697 CG LYS A 45 -0.668 -5.350 0.577 0.50 0.00 C ATOM 698 CD LYS A 45 0.304 -4.863 -0.500 0.50 0.00 C ATOM 699 CE LYS A 45 -0.414 -4.809 -1.850 0.50 0.00 C ATOM 700 NZ LYS A 45 0.669 -4.621 -2.855 0.50 0.00 N ATOM 0 H LYS A 45 2.656 -6.334 1.570 0.50 0.00 H new ATOM 0 HA LYS A 45 0.531 -4.474 2.667 0.50 0.00 H new ATOM 0 HB2 LYS A 45 0.680 -6.992 0.979 0.50 0.00 H new ATOM 0 HB3 LYS A 45 -0.658 -6.879 2.105 0.50 0.00 H new ATOM 0 HG2 LYS A 45 -1.509 -5.868 0.115 0.50 0.00 H new ATOM 0 HG3 LYS A 45 -1.078 -4.500 1.123 0.50 0.00 H new ATOM 0 HD2 LYS A 45 0.687 -3.876 -0.240 0.50 0.00 H new ATOM 0 HD3 LYS A 45 1.162 -5.532 -0.559 0.50 0.00 H new ATOM 0 HE2 LYS A 45 -0.972 -5.727 -2.038 0.50 0.00 H new ATOM 0 HE3 LYS A 45 -1.130 -3.988 -1.884 0.50 0.00 H new ATOM 0 HZ1 LYS A 45 0.254 -4.574 -3.808 0.50 0.00 H new ATOM 0 HZ2 LYS A 45 1.178 -3.736 -2.655 0.50 0.00 H new ATOM 0 HZ3 LYS A 45 1.332 -5.421 -2.805 0.50 0.00 H new ATOM 899 N PRO A 59 7.499 -27.458 3.375 0.50 0.00 N ATOM 900 CA PRO A 59 8.672 -28.052 2.687 0.50 0.00 C ATOM 901 C PRO A 59 8.343 -28.335 1.218 0.50 0.00 C ATOM 902 O PRO A 59 7.797 -29.368 0.883 0.50 0.00 O ATOM 903 CB PRO A 59 8.918 -29.350 3.449 0.50 0.00 C ATOM 904 CG PRO A 59 7.595 -29.705 4.050 0.50 0.00 C ATOM 905 CD PRO A 59 6.855 -28.414 4.287 0.50 0.00 C ATOM 0 HA PRO A 59 9.543 -27.396 2.683 0.50 0.00 H new ATOM 0 HB2 PRO A 59 9.273 -30.137 2.783 0.50 0.00 H new ATOM 0 HB3 PRO A 59 9.678 -29.217 4.219 0.50 0.00 H new ATOM 0 HG2 PRO A 59 7.031 -30.355 3.382 0.50 0.00 H new ATOM 0 HG3 PRO A 59 7.730 -30.249 4.985 0.50 0.00 H new ATOM 0 HD2 PRO A 59 5.792 -28.518 4.069 0.50 0.00 H new ATOM 0 HD3 PRO A 59 6.938 -28.092 5.325 0.50 0.00 H new ATOM 913 N ASP A 60 8.673 -27.425 0.340 0.50 0.00 N ATOM 914 CA ASP A 60 8.380 -27.640 -1.107 0.50 0.00 C ATOM 915 C ASP A 60 9.429 -26.937 -1.969 0.50 0.00 C ATOM 916 O ASP A 60 9.155 -25.917 -2.567 0.50 0.00 O ATOM 917 CB ASP A 60 7.007 -27.008 -1.338 0.50 0.00 C ATOM 918 CG ASP A 60 5.952 -27.763 -0.526 0.50 0.00 C ATOM 919 OD1 ASP A 60 5.807 -27.460 0.647 0.50 0.00 O ATOM 920 OD2 ASP A 60 5.307 -28.631 -1.092 0.50 0.00 O ATOM 0 H ASP A 60 9.133 -26.542 0.563 0.50 0.00 H new ATOM 0 HA ASP A 60 8.396 -28.697 -1.372 0.50 0.00 H new ATOM 0 HB2 ASP A 60 7.024 -25.958 -1.044 0.50 0.00 H new ATOM 0 HB3 ASP A 60 6.755 -27.038 -2.398 0.50 0.00 H new ATOM 925 N ALA A 61 10.624 -27.475 -2.041 0.50 0.00 N ATOM 926 CA ALA A 61 11.695 -26.837 -2.873 0.50 0.00 C ATOM 927 C ALA A 61 11.127 -26.412 -4.235 0.50 0.00 C ATOM 928 O ALA A 61 10.977 -27.229 -5.122 0.50 0.00 O ATOM 929 CB ALA A 61 12.757 -27.923 -3.051 0.50 0.00 C ATOM 0 H ALA A 61 10.904 -28.329 -1.559 0.50 0.00 H new ATOM 0 HA ALA A 61 12.102 -25.941 -2.405 0.50 0.00 H new ATOM 0 HB1 ALA A 61 13.579 -27.533 -3.652 0.50 0.00 H new ATOM 0 HB2 ALA A 61 13.134 -28.227 -2.074 0.50 0.00 H new ATOM 0 HB3 ALA A 61 12.316 -28.784 -3.554 0.50 0.00 H new ATOM 935 N PRO A 62 10.806 -25.148 -4.348 0.50 0.00 N ATOM 936 CA PRO A 62 10.225 -24.620 -5.594 0.50 0.00 C ATOM 937 C PRO A 62 11.328 -24.107 -6.527 0.50 0.00 C ATOM 938 O PRO A 62 12.245 -23.430 -6.106 0.50 0.00 O ATOM 939 CB PRO A 62 9.350 -23.474 -5.093 0.50 0.00 C ATOM 940 CG PRO A 62 9.951 -23.039 -3.783 0.50 0.00 C ATOM 941 CD PRO A 62 10.946 -24.091 -3.345 0.50 0.00 C ATOM 0 HA PRO A 62 9.673 -25.362 -6.171 0.50 0.00 H new ATOM 0 HB2 PRO A 62 9.336 -22.652 -5.808 0.50 0.00 H new ATOM 0 HB3 PRO A 62 8.318 -23.799 -4.961 0.50 0.00 H new ATOM 0 HG2 PRO A 62 10.444 -22.073 -3.893 0.50 0.00 H new ATOM 0 HG3 PRO A 62 9.172 -22.916 -3.030 0.50 0.00 H new ATOM 0 HD2 PRO A 62 11.961 -23.695 -3.321 0.50 0.00 H new ATOM 0 HD3 PRO A 62 10.724 -24.459 -2.343 0.50 0.00 H new ATOM 949 N GLU A 63 11.243 -24.426 -7.791 0.50 0.00 N ATOM 950 CA GLU A 63 12.285 -23.959 -8.754 0.50 0.00 C ATOM 951 C GLU A 63 12.036 -22.497 -9.137 0.50 0.00 C ATOM 952 O GLU A 63 10.944 -21.983 -8.989 0.50 0.00 O ATOM 953 CB GLU A 63 12.139 -24.872 -9.976 0.50 0.00 C ATOM 954 CG GLU A 63 10.731 -24.728 -10.567 0.50 0.00 C ATOM 955 CD GLU A 63 10.122 -26.115 -10.789 0.50 0.00 C ATOM 956 OE1 GLU A 63 10.627 -26.833 -11.636 0.50 0.00 O ATOM 957 OE2 GLU A 63 9.162 -26.434 -10.108 0.50 0.00 O ATOM 0 H GLU A 63 10.497 -24.990 -8.199 0.50 0.00 H new ATOM 0 HA GLU A 63 13.288 -24.007 -8.331 0.50 0.00 H new ATOM 0 HB2 GLU A 63 12.886 -24.613 -10.726 0.50 0.00 H new ATOM 0 HB3 GLU A 63 12.319 -25.908 -9.691 0.50 0.00 H new ATOM 0 HG2 GLU A 63 10.101 -24.147 -9.894 0.50 0.00 H new ATOM 0 HG3 GLU A 63 10.776 -24.184 -11.511 0.50 0.00 H new ATOM 964 N ASP A 64 13.042 -21.824 -9.630 0.50 0.00 N ATOM 965 CA ASP A 64 12.867 -20.396 -10.025 0.50 0.00 C ATOM 966 C ASP A 64 14.074 -19.920 -10.839 0.50 0.00 C ATOM 967 O ASP A 64 15.122 -19.627 -10.299 0.50 0.00 O ATOM 968 CB ASP A 64 12.776 -19.628 -8.705 0.50 0.00 C ATOM 969 CG ASP A 64 11.320 -19.243 -8.435 0.50 0.00 C ATOM 970 OD1 ASP A 64 10.685 -18.730 -9.342 0.50 0.00 O ATOM 971 OD2 ASP A 64 10.864 -19.468 -7.326 0.50 0.00 O ATOM 0 H ASP A 64 13.978 -22.202 -9.776 0.50 0.00 H new ATOM 0 HA ASP A 64 11.985 -20.245 -10.647 0.50 0.00 H new ATOM 0 HB2 ASP A 64 13.158 -20.241 -7.889 0.50 0.00 H new ATOM 0 HB3 ASP A 64 13.397 -18.733 -8.749 0.50 0.00 H new ATOM 976 N THR A 65 13.932 -19.842 -12.138 0.50 0.00 N ATOM 977 CA THR A 65 15.067 -19.386 -12.997 0.50 0.00 C ATOM 978 C THR A 65 16.325 -20.211 -12.707 0.50 0.00 C ATOM 979 O THR A 65 17.435 -19.729 -12.826 0.50 0.00 O ATOM 980 CB THR A 65 15.290 -17.919 -12.622 0.50 0.00 C ATOM 981 OG1 THR A 65 14.033 -17.263 -12.518 0.50 0.00 O ATOM 982 CG2 THR A 65 16.137 -17.237 -13.698 0.50 0.00 C ATOM 0 H THR A 65 13.076 -20.075 -12.642 0.50 0.00 H new ATOM 0 HA THR A 65 14.849 -19.507 -14.058 0.50 0.00 H new ATOM 0 HB THR A 65 15.810 -17.863 -11.666 0.50 0.00 H new ATOM 0 HG1 THR A 65 14.173 -16.324 -12.276 0.50 0.00 H new ATOM 0 HG21 THR A 65 16.295 -16.193 -13.429 0.50 0.00 H new ATOM 0 HG22 THR A 65 17.100 -17.741 -13.776 0.50 0.00 H new ATOM 0 HG23 THR A 65 15.620 -17.291 -14.656 0.50 0.00 H new ATOM 990 N GLY A 66 16.159 -21.450 -12.328 0.50 0.00 N ATOM 991 CA GLY A 66 17.342 -22.307 -12.031 0.50 0.00 C ATOM 992 C GLY A 66 18.159 -22.513 -13.308 0.50 0.00 C ATOM 993 O GLY A 66 19.365 -22.652 -13.267 0.50 0.00 O ATOM 0 H GLY A 66 15.254 -21.906 -12.211 0.50 0.00 H new ATOM 0 HA2 GLY A 66 17.959 -21.840 -11.264 0.50 0.00 H new ATOM 0 HA3 GLY A 66 17.017 -23.269 -11.636 0.50 0.00 H new ATOM 997 N ASP A 67 17.509 -22.531 -14.441 0.50 0.00 N ATOM 998 CA ASP A 67 18.248 -22.727 -15.724 0.50 0.00 C ATOM 999 C ASP A 67 19.238 -21.581 -15.945 0.50 0.00 C ATOM 1000 O ASP A 67 19.414 -20.729 -15.097 0.50 0.00 O ATOM 1001 CB ASP A 67 17.170 -22.722 -16.809 0.50 0.00 C ATOM 1002 CG ASP A 67 16.218 -23.898 -16.591 0.50 0.00 C ATOM 1003 OD1 ASP A 67 16.697 -24.968 -16.254 0.50 0.00 O ATOM 1004 OD2 ASP A 67 15.025 -23.709 -16.763 0.50 0.00 O ATOM 0 H ASP A 67 16.500 -22.419 -14.534 0.50 0.00 H new ATOM 0 HA ASP A 67 18.826 -23.651 -15.729 0.50 0.00 H new ATOM 0 HB2 ASP A 67 16.617 -21.783 -16.782 0.50 0.00 H new ATOM 0 HB3 ASP A 67 17.631 -22.792 -17.794 0.50 0.00 H new ATOM 1303 N ARG A 86 -2.864 0.660 -8.708 0.50 0.00 N ATOM 1304 CA ARG A 86 -1.805 1.131 -9.646 0.50 0.00 C ATOM 1305 C ARG A 86 -0.721 1.888 -8.874 0.50 0.00 C ATOM 1306 O ARG A 86 -0.860 3.058 -8.572 0.50 0.00 O ATOM 1307 CB ARG A 86 -2.523 2.067 -10.619 0.50 0.00 C ATOM 1308 CG ARG A 86 -1.890 1.946 -12.006 0.50 0.00 C ATOM 1309 CD ARG A 86 -2.851 2.508 -13.057 0.50 0.00 C ATOM 1310 NE ARG A 86 -1.975 3.136 -14.086 0.50 0.00 N ATOM 1311 CZ ARG A 86 -2.506 3.796 -15.080 0.50 0.00 C ATOM 1312 NH1 ARG A 86 -2.652 5.090 -14.998 0.50 0.00 N ATOM 1313 NH2 ARG A 86 -2.889 3.163 -16.154 0.50 0.00 N ATOM 0 HA ARG A 86 -1.314 0.307 -10.164 0.50 0.00 H new ATOM 0 HB2 ARG A 86 -3.582 1.815 -10.668 0.50 0.00 H new ATOM 0 HB3 ARG A 86 -2.457 3.096 -10.266 0.50 0.00 H new ATOM 0 HG2 ARG A 86 -0.945 2.489 -12.035 0.50 0.00 H new ATOM 0 HG3 ARG A 86 -1.665 0.902 -12.225 0.50 0.00 H new ATOM 0 HD2 ARG A 86 -3.466 1.720 -13.491 0.50 0.00 H new ATOM 0 HD3 ARG A 86 -3.531 3.238 -12.619 0.50 0.00 H new ATOM 0 HE ARG A 86 -0.961 3.050 -14.014 0.50 0.00 H new ATOM 0 HH11 ARG A 86 -2.352 5.585 -14.158 0.50 0.00 H new ATOM 0 HH12 ARG A 86 -3.067 5.607 -15.774 0.50 0.00 H new ATOM 0 HH21 ARG A 86 -2.774 2.152 -16.218 0.50 0.00 H new ATOM 0 HH22 ARG A 86 -3.304 3.679 -16.930 0.50 0.00 H new ATOM 1327 N VAL A 87 0.357 1.227 -8.549 0.50 0.00 N ATOM 1328 CA VAL A 87 1.449 1.904 -7.793 0.50 0.00 C ATOM 1329 C VAL A 87 2.611 2.241 -8.732 0.50 0.00 C ATOM 1330 O VAL A 87 2.985 1.453 -9.579 0.50 0.00 O ATOM 1331 CB VAL A 87 1.883 0.890 -6.733 0.50 0.00 C ATOM 1332 CG1 VAL A 87 3.044 1.461 -5.913 0.50 0.00 C ATOM 1333 CG2 VAL A 87 0.703 0.590 -5.805 0.50 0.00 C ATOM 0 H VAL A 87 0.529 0.247 -8.774 0.50 0.00 H new ATOM 0 HA VAL A 87 1.124 2.843 -7.345 0.50 0.00 H new ATOM 0 HB VAL A 87 2.207 -0.028 -7.223 0.50 0.00 H new ATOM 0 HG11 VAL A 87 3.349 0.735 -5.160 0.50 0.00 H new ATOM 0 HG12 VAL A 87 3.885 1.675 -6.573 0.50 0.00 H new ATOM 0 HG13 VAL A 87 2.725 2.381 -5.422 0.50 0.00 H new ATOM 0 HG21 VAL A 87 1.010 -0.132 -5.049 0.50 0.00 H new ATOM 0 HG22 VAL A 87 0.380 1.510 -5.318 0.50 0.00 H new ATOM 0 HG23 VAL A 87 -0.122 0.178 -6.387 0.50 0.00 H new ATOM 1343 N GLU A 88 3.183 3.407 -8.587 0.50 0.00 N ATOM 1344 CA GLU A 88 4.320 3.798 -9.470 0.50 0.00 C ATOM 1345 C GLU A 88 5.188 4.853 -8.778 0.50 0.00 C ATOM 1346 O GLU A 88 4.693 5.839 -8.266 0.50 0.00 O ATOM 1347 CB GLU A 88 3.665 4.379 -10.724 0.50 0.00 C ATOM 1348 CG GLU A 88 4.747 4.761 -11.737 0.50 0.00 C ATOM 1349 CD GLU A 88 4.327 6.033 -12.477 0.50 0.00 C ATOM 1350 OE1 GLU A 88 3.798 6.923 -11.833 0.50 0.00 O ATOM 1351 OE2 GLU A 88 4.543 6.096 -13.677 0.50 0.00 O ATOM 0 H GLU A 88 2.912 4.105 -7.895 0.50 0.00 H new ATOM 0 HA GLU A 88 4.971 2.956 -9.704 0.50 0.00 H new ATOM 0 HB2 GLU A 88 2.984 3.650 -11.162 0.50 0.00 H new ATOM 0 HB3 GLU A 88 3.070 5.255 -10.464 0.50 0.00 H new ATOM 0 HG2 GLU A 88 5.697 4.921 -11.227 0.50 0.00 H new ATOM 0 HG3 GLU A 88 4.899 3.948 -12.447 0.50 0.00 H new ATOM 1358 N THR A 89 6.479 4.654 -8.760 0.50 0.00 N ATOM 1359 CA THR A 89 7.382 5.643 -8.103 0.50 0.00 C ATOM 1360 C THR A 89 8.065 6.518 -9.160 0.50 0.00 C ATOM 1361 O THR A 89 8.212 6.127 -10.301 0.50 0.00 O ATOM 1362 CB THR A 89 8.413 4.803 -7.342 0.50 0.00 C ATOM 1363 OG1 THR A 89 9.187 5.652 -6.506 0.50 0.00 O ATOM 1364 CG2 THR A 89 9.333 4.086 -8.330 0.50 0.00 C ATOM 0 H THR A 89 6.948 3.848 -9.173 0.50 0.00 H new ATOM 0 HA THR A 89 6.842 6.316 -7.437 0.50 0.00 H new ATOM 0 HB THR A 89 7.894 4.062 -6.734 0.50 0.00 H new ATOM 0 HG1 THR A 89 10.025 5.202 -6.269 0.50 0.00 H new ATOM 0 HG21 THR A 89 10.063 3.491 -7.781 0.50 0.00 H new ATOM 0 HG22 THR A 89 8.740 3.433 -8.971 0.50 0.00 H new ATOM 0 HG23 THR A 89 9.852 4.822 -8.944 0.50 0.00 H new ATOM 1372 N THR A 90 8.482 7.695 -8.785 0.50 0.00 N ATOM 1373 CA THR A 90 9.157 8.597 -9.763 0.50 0.00 C ATOM 1374 C THR A 90 10.672 8.574 -9.545 0.50 0.00 C ATOM 1375 O THR A 90 11.189 7.753 -8.812 0.50 0.00 O ATOM 1376 CB THR A 90 8.593 9.990 -9.478 0.50 0.00 C ATOM 1377 OG1 THR A 90 8.563 10.209 -8.074 0.50 0.00 O ATOM 1378 CG2 THR A 90 7.177 10.096 -10.044 0.50 0.00 C ATOM 0 H THR A 90 8.385 8.073 -7.843 0.50 0.00 H new ATOM 0 HA THR A 90 8.980 8.292 -10.794 0.50 0.00 H new ATOM 0 HB THR A 90 9.226 10.742 -9.950 0.50 0.00 H new ATOM 0 HG1 THR A 90 7.737 9.836 -7.702 0.50 0.00 H new ATOM 0 HG21 THR A 90 6.777 11.089 -9.840 0.50 0.00 H new ATOM 0 HG22 THR A 90 7.202 9.929 -11.121 0.50 0.00 H new ATOM 0 HG23 THR A 90 6.541 9.345 -9.575 0.50 0.00 H new ATOM 1386 N LYS A 91 11.385 9.466 -10.179 0.50 0.00 N ATOM 1387 CA LYS A 91 12.871 9.497 -10.014 0.50 0.00 C ATOM 1388 C LYS A 91 13.247 9.591 -8.531 0.50 0.00 C ATOM 1389 O LYS A 91 14.254 9.062 -8.105 0.50 0.00 O ATOM 1390 CB LYS A 91 13.332 10.746 -10.770 0.50 0.00 C ATOM 1391 CG LYS A 91 12.670 11.990 -10.169 0.50 0.00 C ATOM 1392 CD LYS A 91 13.035 13.216 -11.007 0.50 0.00 C ATOM 1393 CE LYS A 91 11.971 13.435 -12.085 0.50 0.00 C ATOM 1394 NZ LYS A 91 12.048 14.885 -12.415 0.50 0.00 N ATOM 0 H LYS A 91 11.004 10.176 -10.805 0.50 0.00 H new ATOM 0 HA LYS A 91 13.343 8.593 -10.398 0.50 0.00 H new ATOM 0 HB2 LYS A 91 14.417 10.837 -10.713 0.50 0.00 H new ATOM 0 HB3 LYS A 91 13.074 10.659 -11.825 0.50 0.00 H new ATOM 0 HG2 LYS A 91 11.588 11.863 -10.143 0.50 0.00 H new ATOM 0 HG3 LYS A 91 12.999 12.129 -9.139 0.50 0.00 H new ATOM 0 HD2 LYS A 91 13.108 14.097 -10.369 0.50 0.00 H new ATOM 0 HD3 LYS A 91 14.012 13.076 -11.469 0.50 0.00 H new ATOM 0 HE2 LYS A 91 12.167 12.820 -12.963 0.50 0.00 H new ATOM 0 HE3 LYS A 91 10.980 13.165 -11.721 0.50 0.00 H new ATOM 0 HZ1 LYS A 91 11.347 15.112 -13.149 0.50 0.00 H new ATOM 0 HZ2 LYS A 91 11.851 15.446 -11.562 0.50 0.00 H new ATOM 0 HZ3 LYS A 91 13.001 15.111 -12.765 0.50 0.00 H new ATOM 1408 N ASP A 92 12.451 10.263 -7.743 0.50 0.00 N ATOM 1409 CA ASP A 92 12.770 10.386 -6.291 0.50 0.00 C ATOM 1410 C ASP A 92 11.492 10.617 -5.481 0.50 0.00 C ATOM 1411 O ASP A 92 11.428 11.502 -4.651 0.50 0.00 O ATOM 1412 CB ASP A 92 13.695 11.600 -6.190 0.50 0.00 C ATOM 1413 CG ASP A 92 14.348 11.631 -4.807 0.50 0.00 C ATOM 1414 OD1 ASP A 92 15.370 10.987 -4.641 0.50 0.00 O ATOM 1415 OD2 ASP A 92 13.814 12.298 -3.937 0.50 0.00 O ATOM 0 H ASP A 92 11.595 10.731 -8.041 0.50 0.00 H new ATOM 0 HA ASP A 92 13.235 9.483 -5.895 0.50 0.00 H new ATOM 0 HB2 ASP A 92 14.461 11.552 -6.964 0.50 0.00 H new ATOM 0 HB3 ASP A 92 13.129 12.516 -6.357 0.50 0.00 H new ATOM 1420 N ARG A 93 10.475 9.831 -5.716 0.50 0.00 N ATOM 1421 CA ARG A 93 9.202 10.013 -4.956 0.50 0.00 C ATOM 1422 C ARG A 93 8.249 8.844 -5.223 0.50 0.00 C ATOM 1423 O ARG A 93 7.638 8.755 -6.270 0.50 0.00 O ATOM 1424 CB ARG A 93 8.605 11.321 -5.485 0.50 0.00 C ATOM 1425 CG ARG A 93 8.573 12.364 -4.365 0.50 0.00 C ATOM 1426 CD ARG A 93 8.131 13.714 -4.936 0.50 0.00 C ATOM 1427 NE ARG A 93 6.642 13.681 -4.902 0.50 0.00 N ATOM 1428 CZ ARG A 93 5.956 14.657 -5.432 0.50 0.00 C ATOM 1429 NH1 ARG A 93 5.240 14.444 -6.502 0.50 0.00 N ATOM 1430 NH2 ARG A 93 5.987 15.844 -4.893 0.50 0.00 N ATOM 0 H ARG A 93 10.470 9.073 -6.399 0.50 0.00 H new ATOM 0 HA ARG A 93 9.369 10.046 -3.879 0.50 0.00 H new ATOM 0 HB2 ARG A 93 9.198 11.690 -6.322 0.50 0.00 H new ATOM 0 HB3 ARG A 93 7.597 11.146 -5.861 0.50 0.00 H new ATOM 0 HG2 ARG A 93 7.887 12.048 -3.579 0.50 0.00 H new ATOM 0 HG3 ARG A 93 9.559 12.455 -3.910 0.50 0.00 H new ATOM 0 HD2 ARG A 93 8.521 14.540 -4.341 0.50 0.00 H new ATOM 0 HD3 ARG A 93 8.499 13.852 -5.953 0.50 0.00 H new ATOM 0 HE ARG A 93 6.159 12.896 -4.465 0.50 0.00 H new ATOM 0 HH11 ARG A 93 5.217 13.515 -6.924 0.50 0.00 H new ATOM 0 HH12 ARG A 93 4.704 15.206 -6.917 0.50 0.00 H new ATOM 0 HH21 ARG A 93 6.547 16.010 -4.057 0.50 0.00 H new ATOM 0 HH22 ARG A 93 5.451 16.606 -5.307 0.50 0.00 H new ATOM 1444 N SER A 94 8.113 7.951 -4.279 0.50 0.00 N ATOM 1445 CA SER A 94 7.192 6.792 -4.471 0.50 0.00 C ATOM 1446 C SER A 94 5.742 7.260 -4.362 0.50 0.00 C ATOM 1447 O SER A 94 5.380 7.977 -3.451 0.50 0.00 O ATOM 1448 CB SER A 94 7.526 5.822 -3.341 0.50 0.00 C ATOM 1449 OG SER A 94 7.151 6.399 -2.098 0.50 0.00 O ATOM 0 H SER A 94 8.600 7.974 -3.383 0.50 0.00 H new ATOM 0 HA SER A 94 7.310 6.327 -5.450 0.50 0.00 H new ATOM 0 HB2 SER A 94 7.001 4.878 -3.490 0.50 0.00 H new ATOM 0 HB3 SER A 94 8.593 5.597 -3.343 0.50 0.00 H new ATOM 0 HG SER A 94 7.228 5.727 -1.389 0.50 0.00 H new ATOM 1455 N ILE A 95 4.908 6.865 -5.284 0.50 0.00 N ATOM 1456 CA ILE A 95 3.485 7.297 -5.223 0.50 0.00 C ATOM 1457 C ILE A 95 2.563 6.079 -5.139 0.50 0.00 C ATOM 1458 O ILE A 95 2.635 5.173 -5.946 0.50 0.00 O ATOM 1459 CB ILE A 95 3.249 8.095 -6.521 0.50 0.00 C ATOM 1460 CG1 ILE A 95 2.899 9.541 -6.169 0.50 0.00 C ATOM 1461 CG2 ILE A 95 2.095 7.490 -7.332 0.50 0.00 C ATOM 1462 CD1 ILE A 95 4.170 10.392 -6.175 0.50 0.00 C ATOM 0 H ILE A 95 5.149 6.265 -6.073 0.50 0.00 H new ATOM 0 HA ILE A 95 3.272 7.902 -4.342 0.50 0.00 H new ATOM 0 HB ILE A 95 4.160 8.058 -7.119 0.50 0.00 H new ATOM 0 HG12 ILE A 95 2.181 9.937 -6.887 0.50 0.00 H new ATOM 0 HG13 ILE A 95 2.426 9.583 -5.188 0.50 0.00 H new ATOM 0 HG21 ILE A 95 1.947 8.070 -8.243 0.50 0.00 H new ATOM 0 HG22 ILE A 95 2.335 6.459 -7.593 0.50 0.00 H new ATOM 0 HG23 ILE A 95 1.182 7.511 -6.737 0.50 0.00 H new ATOM 0 HD11 ILE A 95 3.919 11.423 -5.924 0.50 0.00 H new ATOM 0 HD12 ILE A 95 4.873 10.000 -5.440 0.50 0.00 H new ATOM 0 HD13 ILE A 95 4.624 10.360 -7.165 0.50 0.00 H new ATOM 1474 N PHE A 96 1.684 6.069 -4.179 0.50 0.00 N ATOM 1475 CA PHE A 96 0.736 4.932 -4.049 0.50 0.00 C ATOM 1476 C PHE A 96 -0.667 5.415 -4.416 0.50 0.00 C ATOM 1477 O PHE A 96 -1.369 5.991 -3.609 0.50 0.00 O ATOM 1478 CB PHE A 96 0.809 4.510 -2.580 0.50 0.00 C ATOM 1479 CG PHE A 96 -0.029 3.274 -2.371 0.50 0.00 C ATOM 1480 CD1 PHE A 96 -1.424 3.376 -2.325 0.50 0.00 C ATOM 1481 CD2 PHE A 96 0.587 2.027 -2.226 0.50 0.00 C ATOM 1482 CE1 PHE A 96 -2.204 2.230 -2.136 0.50 0.00 C ATOM 1483 CE2 PHE A 96 -0.193 0.880 -2.035 0.50 0.00 C ATOM 1484 CZ PHE A 96 -1.590 0.981 -1.991 0.50 0.00 C ATOM 0 H PHE A 96 1.581 6.802 -3.477 0.50 0.00 H new ATOM 0 HA PHE A 96 0.977 4.096 -4.706 0.50 0.00 H new ATOM 0 HB2 PHE A 96 1.843 4.313 -2.298 0.50 0.00 H new ATOM 0 HB3 PHE A 96 0.452 5.317 -1.940 0.50 0.00 H new ATOM 0 HD1 PHE A 96 -1.899 4.340 -2.435 0.50 0.00 H new ATOM 0 HD2 PHE A 96 1.664 1.949 -2.261 0.50 0.00 H new ATOM 0 HE1 PHE A 96 -3.281 2.309 -2.102 0.50 0.00 H new ATOM 0 HE2 PHE A 96 0.282 -0.083 -1.922 0.50 0.00 H new ATOM 0 HZ PHE A 96 -2.192 0.096 -1.845 0.50 0.00 H new ATOM 1494 N THR A 97 -1.076 5.196 -5.636 0.50 0.00 N ATOM 1495 CA THR A 97 -2.431 5.652 -6.063 0.50 0.00 C ATOM 1496 C THR A 97 -3.236 4.463 -6.588 0.50 0.00 C ATOM 1497 O THR A 97 -2.981 3.946 -7.658 0.50 0.00 O ATOM 1498 CB THR A 97 -2.193 6.696 -7.166 0.50 0.00 C ATOM 1499 OG1 THR A 97 -3.391 6.872 -7.908 0.50 0.00 O ATOM 1500 CG2 THR A 97 -1.074 6.237 -8.107 0.50 0.00 C ATOM 0 H THR A 97 -0.531 4.721 -6.356 0.50 0.00 H new ATOM 0 HA THR A 97 -3.001 6.082 -5.239 0.50 0.00 H new ATOM 0 HB THR A 97 -1.897 7.638 -6.704 0.50 0.00 H new ATOM 0 HG1 THR A 97 -4.142 6.998 -7.291 0.50 0.00 H new ATOM 0 HG21 THR A 97 -0.919 6.988 -8.882 0.50 0.00 H new ATOM 0 HG22 THR A 97 -0.153 6.105 -7.540 0.50 0.00 H new ATOM 0 HG23 THR A 97 -1.353 5.291 -8.570 0.50 0.00 H new ATOM 1508 N VAL A 98 -4.200 4.020 -5.827 0.50 0.00 N ATOM 1509 CA VAL A 98 -5.025 2.852 -6.256 0.50 0.00 C ATOM 1510 C VAL A 98 -6.489 3.270 -6.439 0.50 0.00 C ATOM 1511 O VAL A 98 -7.048 3.984 -5.630 0.50 0.00 O ATOM 1512 CB VAL A 98 -4.884 1.828 -5.118 0.50 0.00 C ATOM 1513 CG1 VAL A 98 -5.174 2.497 -3.771 0.50 0.00 C ATOM 1514 CG2 VAL A 98 -5.868 0.672 -5.329 0.50 0.00 C ATOM 0 H VAL A 98 -4.453 4.418 -4.923 0.50 0.00 H new ATOM 0 HA VAL A 98 -4.698 2.443 -7.212 0.50 0.00 H new ATOM 0 HB VAL A 98 -3.864 1.443 -5.120 0.50 0.00 H new ATOM 0 HG11 VAL A 98 -5.072 1.764 -2.971 0.50 0.00 H new ATOM 0 HG12 VAL A 98 -4.468 3.311 -3.610 0.50 0.00 H new ATOM 0 HG13 VAL A 98 -6.190 2.893 -3.773 0.50 0.00 H new ATOM 0 HG21 VAL A 98 -5.762 -0.049 -4.518 0.50 0.00 H new ATOM 0 HG22 VAL A 98 -6.887 1.059 -5.339 0.50 0.00 H new ATOM 0 HG23 VAL A 98 -5.656 0.183 -6.280 0.50 0.00 H new ATOM 1524 N GLU A 99 -7.111 2.823 -7.498 0.50 0.00 N ATOM 1525 CA GLU A 99 -8.539 3.184 -7.735 0.50 0.00 C ATOM 1526 C GLU A 99 -9.442 2.022 -7.327 0.50 0.00 C ATOM 1527 O GLU A 99 -10.380 1.673 -8.017 0.50 0.00 O ATOM 1528 CB GLU A 99 -8.642 3.447 -9.237 0.50 0.00 C ATOM 1529 CG GLU A 99 -7.748 4.630 -9.614 0.50 0.00 C ATOM 1530 CD GLU A 99 -7.129 4.386 -10.991 0.50 0.00 C ATOM 1531 OE1 GLU A 99 -6.629 3.295 -11.209 0.50 0.00 O ATOM 1532 OE2 GLU A 99 -7.164 5.295 -11.804 0.50 0.00 O ATOM 0 H GLU A 99 -6.692 2.224 -8.209 0.50 0.00 H new ATOM 0 HA GLU A 99 -8.851 4.052 -7.154 0.50 0.00 H new ATOM 0 HB2 GLU A 99 -8.341 2.559 -9.793 0.50 0.00 H new ATOM 0 HB3 GLU A 99 -9.676 3.658 -9.509 0.50 0.00 H new ATOM 0 HG2 GLU A 99 -8.331 5.551 -9.624 0.50 0.00 H new ATOM 0 HG3 GLU A 99 -6.963 4.758 -8.869 0.50 0.00 H new ATOM 1539 N GLY A 100 -9.160 1.423 -6.204 0.50 0.00 N ATOM 1540 CA GLY A 100 -9.987 0.282 -5.727 0.50 0.00 C ATOM 1541 C GLY A 100 -9.558 -0.084 -4.306 0.50 0.00 C ATOM 1542 O GLY A 100 -9.706 -1.210 -3.873 0.50 0.00 O ATOM 0 H GLY A 100 -8.385 1.678 -5.592 0.50 0.00 H new ATOM 0 HA2 GLY A 100 -11.043 0.550 -5.744 0.50 0.00 H new ATOM 0 HA3 GLY A 100 -9.865 -0.575 -6.390 0.50 0.00 H new ATOM 1620 N GLU A 106 -7.641 -2.268 3.348 0.50 0.00 N ATOM 1621 CA GLU A 106 -7.313 -1.652 4.670 0.50 0.00 C ATOM 1622 C GLU A 106 -6.326 -2.535 5.441 0.50 0.00 C ATOM 1623 O GLU A 106 -6.104 -3.680 5.098 0.50 0.00 O ATOM 1624 CB GLU A 106 -8.649 -1.571 5.411 0.50 0.00 C ATOM 1625 CG GLU A 106 -8.643 -0.368 6.355 0.50 0.00 C ATOM 1626 CD GLU A 106 -8.179 -0.810 7.744 0.50 0.00 C ATOM 1627 OE1 GLU A 106 -8.584 -1.880 8.169 0.50 0.00 O ATOM 1628 OE2 GLU A 106 -7.427 -0.072 8.358 0.50 0.00 O ATOM 0 HA GLU A 106 -6.844 -0.674 4.562 0.50 0.00 H new ATOM 0 HB2 GLU A 106 -9.467 -1.481 4.696 0.50 0.00 H new ATOM 0 HB3 GLU A 106 -8.819 -2.488 5.976 0.50 0.00 H new ATOM 0 HG2 GLU A 106 -7.981 0.407 5.969 0.50 0.00 H new ATOM 0 HG3 GLU A 106 -9.641 0.066 6.415 0.50 0.00 H new ATOM 1635 N GLY A 107 -5.735 -2.010 6.480 0.50 0.00 N ATOM 1636 CA GLY A 107 -4.762 -2.812 7.275 0.50 0.00 C ATOM 1637 C GLY A 107 -3.449 -2.039 7.400 0.50 0.00 C ATOM 1638 O GLY A 107 -3.413 -0.940 7.919 0.50 0.00 O ATOM 0 H GLY A 107 -5.885 -1.058 6.813 0.50 0.00 H new ATOM 0 HA2 GLY A 107 -5.169 -3.022 8.264 0.50 0.00 H new ATOM 0 HA3 GLY A 107 -4.586 -3.773 6.792 0.50 0.00 H new ATOM 1642 N VAL A 108 -2.370 -2.603 6.927 0.50 0.00 N ATOM 1643 CA VAL A 108 -1.057 -1.899 7.016 0.50 0.00 C ATOM 1644 C VAL A 108 -0.231 -2.155 5.753 0.50 0.00 C ATOM 1645 O VAL A 108 -0.421 -3.136 5.061 0.50 0.00 O ATOM 1646 CB VAL A 108 -0.368 -2.495 8.245 0.50 0.00 C ATOM 1647 CG1 VAL A 108 1.051 -1.933 8.367 0.50 0.00 C ATOM 1648 CG2 VAL A 108 -1.164 -2.127 9.495 0.50 0.00 C ATOM 0 H VAL A 108 -2.341 -3.521 6.483 0.50 0.00 H new ATOM 0 HA VAL A 108 -1.173 -0.819 7.102 0.50 0.00 H new ATOM 0 HB VAL A 108 -0.319 -3.579 8.142 0.50 0.00 H new ATOM 0 HG11 VAL A 108 1.538 -2.360 9.244 0.50 0.00 H new ATOM 0 HG12 VAL A 108 1.622 -2.189 7.474 0.50 0.00 H new ATOM 0 HG13 VAL A 108 1.005 -0.849 8.470 0.50 0.00 H new ATOM 0 HG21 VAL A 108 -0.677 -2.549 10.374 0.50 0.00 H new ATOM 0 HG22 VAL A 108 -1.209 -1.042 9.591 0.50 0.00 H new ATOM 0 HG23 VAL A 108 -2.175 -2.526 9.413 0.50 0.00 H new ATOM 1658 N TYR A 109 0.686 -1.276 5.454 0.50 0.00 N ATOM 1659 CA TYR A 109 1.535 -1.458 4.239 0.50 0.00 C ATOM 1660 C TYR A 109 2.988 -1.104 4.556 0.50 0.00 C ATOM 1661 O TYR A 109 3.291 0.010 4.927 0.50 0.00 O ATOM 1662 CB TYR A 109 0.977 -0.480 3.203 0.50 0.00 C ATOM 1663 CG TYR A 109 -0.309 -1.019 2.623 0.50 0.00 C ATOM 1664 CD1 TYR A 109 -1.499 -0.941 3.358 0.50 0.00 C ATOM 1665 CD2 TYR A 109 -0.312 -1.594 1.346 0.50 0.00 C ATOM 1666 CE1 TYR A 109 -2.690 -1.438 2.816 0.50 0.00 C ATOM 1667 CE2 TYR A 109 -1.503 -2.090 0.805 0.50 0.00 C ATOM 1668 CZ TYR A 109 -2.692 -2.013 1.539 0.50 0.00 C ATOM 1669 OH TYR A 109 -3.866 -2.502 1.003 0.50 0.00 O ATOM 0 H TYR A 109 0.885 -0.437 5.999 0.50 0.00 H new ATOM 0 HA TYR A 109 1.517 -2.488 3.882 0.50 0.00 H new ATOM 0 HB2 TYR A 109 0.798 0.490 3.666 0.50 0.00 H new ATOM 0 HB3 TYR A 109 1.707 -0.324 2.408 0.50 0.00 H new ATOM 0 HD1 TYR A 109 -1.497 -0.497 4.343 0.50 0.00 H new ATOM 0 HD2 TYR A 109 0.605 -1.655 0.779 0.50 0.00 H new ATOM 0 HE1 TYR A 109 -3.607 -1.378 3.383 0.50 0.00 H new ATOM 0 HE2 TYR A 109 -1.505 -2.533 -0.180 0.50 0.00 H new ATOM 0 HH TYR A 109 -3.691 -2.866 0.110 0.50 0.00 H new ATOM 1679 N THR A 110 3.893 -2.030 4.402 0.50 0.00 N ATOM 1680 CA THR A 110 5.324 -1.718 4.688 0.50 0.00 C ATOM 1681 C THR A 110 6.060 -1.441 3.379 0.50 0.00 C ATOM 1682 O THR A 110 6.272 -2.325 2.575 0.50 0.00 O ATOM 1683 CB THR A 110 5.887 -2.964 5.375 0.50 0.00 C ATOM 1684 OG1 THR A 110 4.929 -3.469 6.294 0.50 0.00 O ATOM 1685 CG2 THR A 110 7.171 -2.599 6.121 0.50 0.00 C ATOM 0 H THR A 110 3.707 -2.984 4.093 0.50 0.00 H new ATOM 0 HA THR A 110 5.438 -0.835 5.317 0.50 0.00 H new ATOM 0 HB THR A 110 6.108 -3.725 4.627 0.50 0.00 H new ATOM 0 HG1 THR A 110 5.287 -4.268 6.734 0.50 0.00 H new ATOM 0 HG21 THR A 110 7.572 -3.486 6.610 0.50 0.00 H new ATOM 0 HG22 THR A 110 7.905 -2.211 5.414 0.50 0.00 H new ATOM 0 HG23 THR A 110 6.953 -1.839 6.871 0.50 0.00 H new ATOM 1693 N VAL A 111 6.441 -0.216 3.153 0.50 0.00 N ATOM 1694 CA VAL A 111 7.149 0.114 1.887 0.50 0.00 C ATOM 1695 C VAL A 111 8.663 -0.045 2.059 0.50 0.00 C ATOM 1696 O VAL A 111 9.250 0.468 2.992 0.50 0.00 O ATOM 1697 CB VAL A 111 6.757 1.562 1.591 0.50 0.00 C ATOM 1698 CG1 VAL A 111 7.459 2.518 2.552 0.50 0.00 C ATOM 1699 CG2 VAL A 111 7.152 1.904 0.161 0.50 0.00 C ATOM 0 H VAL A 111 6.293 0.569 3.788 0.50 0.00 H new ATOM 0 HA VAL A 111 6.876 -0.549 1.066 0.50 0.00 H new ATOM 0 HB VAL A 111 5.680 1.668 1.719 0.50 0.00 H new ATOM 0 HG11 VAL A 111 7.166 3.543 2.324 0.50 0.00 H new ATOM 0 HG12 VAL A 111 7.174 2.278 3.576 0.50 0.00 H new ATOM 0 HG13 VAL A 111 8.539 2.416 2.443 0.50 0.00 H new ATOM 0 HG21 VAL A 111 6.875 2.936 -0.056 0.50 0.00 H new ATOM 0 HG22 VAL A 111 8.229 1.785 0.043 0.50 0.00 H new ATOM 0 HG23 VAL A 111 6.635 1.237 -0.529 0.50 0.00 H new ATOM 1709 N THR A 112 9.296 -0.768 1.170 0.50 0.00 N ATOM 1710 CA THR A 112 10.768 -0.978 1.287 0.50 0.00 C ATOM 1711 C THR A 112 11.513 -0.263 0.152 0.50 0.00 C ATOM 1712 O THR A 112 11.309 -0.544 -1.012 0.50 0.00 O ATOM 1713 CB THR A 112 10.948 -2.497 1.183 0.50 0.00 C ATOM 1714 OG1 THR A 112 10.506 -3.104 2.389 0.50 0.00 O ATOM 1715 CG2 THR A 112 12.421 -2.840 0.950 0.50 0.00 C ATOM 0 H THR A 112 8.856 -1.221 0.369 0.50 0.00 H new ATOM 0 HA THR A 112 11.171 -0.575 2.216 0.50 0.00 H new ATOM 0 HB THR A 112 10.361 -2.870 0.343 0.50 0.00 H new ATOM 0 HG1 THR A 112 10.618 -4.076 2.326 0.50 0.00 H new ATOM 0 HG21 THR A 112 12.536 -3.922 0.878 0.50 0.00 H new ATOM 0 HG22 THR A 112 12.760 -2.377 0.024 0.50 0.00 H new ATOM 0 HG23 THR A 112 13.018 -2.467 1.782 0.50 0.00 H new ATOM 1723 N VAL A 113 12.392 0.643 0.490 0.50 0.00 N ATOM 1724 CA VAL A 113 13.172 1.363 -0.561 0.50 0.00 C ATOM 1725 C VAL A 113 14.541 0.688 -0.718 0.50 0.00 C ATOM 1726 O VAL A 113 15.235 0.451 0.252 0.50 0.00 O ATOM 1727 CB VAL A 113 13.316 2.805 -0.052 0.50 0.00 C ATOM 1728 CG1 VAL A 113 11.939 3.360 0.320 0.50 0.00 C ATOM 1729 CG2 VAL A 113 14.223 2.836 1.181 0.50 0.00 C ATOM 0 H VAL A 113 12.604 0.916 1.450 0.50 0.00 H new ATOM 0 HA VAL A 113 12.687 1.345 -1.537 0.50 0.00 H new ATOM 0 HB VAL A 113 13.757 3.416 -0.840 0.50 0.00 H new ATOM 0 HG11 VAL A 113 12.044 4.383 0.681 0.50 0.00 H new ATOM 0 HG12 VAL A 113 11.293 3.350 -0.558 0.50 0.00 H new ATOM 0 HG13 VAL A 113 11.497 2.743 1.103 0.50 0.00 H new ATOM 0 HG21 VAL A 113 14.320 3.862 1.536 0.50 0.00 H new ATOM 0 HG22 VAL A 113 13.788 2.220 1.968 0.50 0.00 H new ATOM 0 HG23 VAL A 113 15.207 2.448 0.918 0.50 0.00 H new ATOM 1739 N LYS A 114 14.927 0.354 -1.921 0.50 0.00 N ATOM 1740 CA LYS A 114 16.243 -0.329 -2.112 0.50 0.00 C ATOM 1741 C LYS A 114 16.991 0.234 -3.326 0.50 0.00 C ATOM 1742 O LYS A 114 16.403 0.777 -4.240 0.50 0.00 O ATOM 1743 CB LYS A 114 15.882 -1.799 -2.337 0.50 0.00 C ATOM 1744 CG LYS A 114 17.157 -2.624 -2.534 0.50 0.00 C ATOM 1745 CD LYS A 114 17.399 -2.843 -4.029 0.50 0.00 C ATOM 1746 CE LYS A 114 18.725 -3.578 -4.232 0.50 0.00 C ATOM 1747 NZ LYS A 114 18.711 -4.008 -5.658 0.50 0.00 N ATOM 0 H LYS A 114 14.394 0.522 -2.774 0.50 0.00 H new ATOM 0 HA LYS A 114 16.905 -0.185 -1.258 0.50 0.00 H new ATOM 0 HB2 LYS A 114 15.320 -2.179 -1.484 0.50 0.00 H new ATOM 0 HB3 LYS A 114 15.238 -1.895 -3.211 0.50 0.00 H new ATOM 0 HG2 LYS A 114 18.008 -2.109 -2.089 0.50 0.00 H new ATOM 0 HG3 LYS A 114 17.064 -3.584 -2.026 0.50 0.00 H new ATOM 0 HD2 LYS A 114 16.581 -3.422 -4.459 0.50 0.00 H new ATOM 0 HD3 LYS A 114 17.419 -1.885 -4.549 0.50 0.00 H new ATOM 0 HE2 LYS A 114 19.574 -2.926 -4.024 0.50 0.00 H new ATOM 0 HE3 LYS A 114 18.809 -4.434 -3.562 0.50 0.00 H new ATOM 0 HZ1 LYS A 114 19.590 -4.520 -5.875 0.50 0.00 H new ATOM 0 HZ2 LYS A 114 17.896 -4.632 -5.824 0.50 0.00 H new ATOM 0 HZ3 LYS A 114 18.637 -3.172 -6.272 0.50 0.00 H new ATOM 1761 N ASN A 115 18.290 0.090 -3.334 0.50 0.00 N ATOM 1762 CA ASN A 115 19.109 0.593 -4.476 0.50 0.00 C ATOM 1763 C ASN A 115 20.471 -0.115 -4.472 0.50 0.00 C ATOM 1764 O ASN A 115 20.735 -0.929 -3.609 0.50 0.00 O ATOM 1765 CB ASN A 115 19.269 2.095 -4.225 0.50 0.00 C ATOM 1766 CG ASN A 115 18.632 2.887 -5.372 0.50 0.00 C ATOM 1767 OD1 ASN A 115 18.377 2.351 -6.431 0.50 0.00 O ATOM 1768 ND2 ASN A 115 18.367 4.154 -5.203 0.50 0.00 N ATOM 0 H ASN A 115 18.824 -0.359 -2.590 0.50 0.00 H new ATOM 0 HA ASN A 115 18.648 0.403 -5.445 0.50 0.00 H new ATOM 0 HB2 ASN A 115 18.799 2.366 -3.280 0.50 0.00 H new ATOM 0 HB3 ASN A 115 20.326 2.348 -4.140 0.50 0.00 H new ATOM 0 HD21 ASN A 115 17.946 4.692 -5.960 0.50 0.00 H new ATOM 0 HD22 ASN A 115 18.581 4.606 -4.314 0.50 0.00 H new ATOM 1775 N PRO A 116 21.297 0.207 -5.438 0.50 0.00 N ATOM 1776 CA PRO A 116 22.633 -0.434 -5.531 0.50 0.00 C ATOM 1777 C PRO A 116 23.568 0.048 -4.413 0.50 0.00 C ATOM 1778 O PRO A 116 24.669 -0.446 -4.267 0.50 0.00 O ATOM 1779 CB PRO A 116 23.147 0.003 -6.901 0.50 0.00 C ATOM 1780 CG PRO A 116 22.416 1.271 -7.203 0.50 0.00 C ATOM 1781 CD PRO A 116 21.078 1.180 -6.516 0.50 0.00 C ATOM 0 HA PRO A 116 22.585 -1.517 -5.420 0.50 0.00 H new ATOM 0 HB2 PRO A 116 24.225 0.163 -6.885 0.50 0.00 H new ATOM 0 HB3 PRO A 116 22.949 -0.756 -7.657 0.50 0.00 H new ATOM 0 HG2 PRO A 116 22.976 2.134 -6.844 0.50 0.00 H new ATOM 0 HG3 PRO A 116 22.290 1.397 -8.278 0.50 0.00 H new ATOM 0 HD2 PRO A 116 20.765 2.147 -6.123 0.50 0.00 H new ATOM 0 HD3 PRO A 116 20.299 0.847 -7.202 0.50 0.00 H new ATOM 1789 N VAL A 117 23.148 1.000 -3.620 0.50 0.00 N ATOM 1790 CA VAL A 117 24.033 1.489 -2.520 0.50 0.00 C ATOM 1791 C VAL A 117 23.580 0.912 -1.173 0.50 0.00 C ATOM 1792 O VAL A 117 24.391 0.602 -0.323 0.50 0.00 O ATOM 1793 CB VAL A 117 23.905 3.013 -2.531 0.50 0.00 C ATOM 1794 CG1 VAL A 117 24.911 3.610 -1.547 0.50 0.00 C ATOM 1795 CG2 VAL A 117 24.196 3.545 -3.936 0.50 0.00 C ATOM 0 H VAL A 117 22.238 1.457 -3.685 0.50 0.00 H new ATOM 0 HA VAL A 117 25.067 1.177 -2.664 0.50 0.00 H new ATOM 0 HB VAL A 117 22.893 3.294 -2.241 0.50 0.00 H new ATOM 0 HG11 VAL A 117 24.823 4.696 -1.551 0.50 0.00 H new ATOM 0 HG12 VAL A 117 24.707 3.234 -0.545 0.50 0.00 H new ATOM 0 HG13 VAL A 117 25.921 3.326 -1.842 0.50 0.00 H new ATOM 0 HG21 VAL A 117 24.104 4.631 -3.940 0.50 0.00 H new ATOM 0 HG22 VAL A 117 25.208 3.266 -4.228 0.50 0.00 H new ATOM 0 HG23 VAL A 117 23.483 3.118 -4.642 0.50 0.00 H new ATOM 1805 N GLY A 118 22.293 0.759 -0.966 0.50 0.00 N ATOM 1806 CA GLY A 118 21.814 0.197 0.333 0.50 0.00 C ATOM 1807 C GLY A 118 20.302 -0.025 0.275 0.50 0.00 C ATOM 1808 O GLY A 118 19.754 -0.361 -0.757 0.50 0.00 O ATOM 0 H GLY A 118 21.561 0.997 -1.635 0.50 0.00 H new ATOM 0 HA2 GLY A 118 22.321 -0.745 0.541 0.50 0.00 H new ATOM 0 HA3 GLY A 118 22.060 0.879 1.147 0.50 0.00 H new ATOM 1812 N GLU A 119 19.621 0.165 1.377 0.50 0.00 N ATOM 1813 CA GLU A 119 18.140 -0.028 1.385 0.50 0.00 C ATOM 1814 C GLU A 119 17.536 0.500 2.693 0.50 0.00 C ATOM 1815 O GLU A 119 18.198 0.573 3.709 0.50 0.00 O ATOM 1816 CB GLU A 119 17.931 -1.540 1.268 0.50 0.00 C ATOM 1817 CG GLU A 119 18.589 -2.243 2.458 0.50 0.00 C ATOM 1818 CD GLU A 119 18.488 -3.759 2.276 0.50 0.00 C ATOM 1819 OE1 GLU A 119 17.420 -4.221 1.908 0.50 0.00 O ATOM 1820 OE2 GLU A 119 19.479 -4.430 2.508 0.50 0.00 O ATOM 0 H GLU A 119 20.026 0.445 2.270 0.50 0.00 H new ATOM 0 HA GLU A 119 17.654 0.514 0.573 0.50 0.00 H new ATOM 0 HB2 GLU A 119 16.866 -1.769 1.241 0.50 0.00 H new ATOM 0 HB3 GLU A 119 18.359 -1.905 0.335 0.50 0.00 H new ATOM 0 HG2 GLU A 119 19.634 -1.945 2.537 0.50 0.00 H new ATOM 0 HG3 GLU A 119 18.101 -1.944 3.386 0.50 0.00 H new ATOM 1827 N ASP A 120 16.278 0.856 2.673 0.50 0.00 N ATOM 1828 CA ASP A 120 15.617 1.369 3.911 0.50 0.00 C ATOM 1829 C ASP A 120 14.193 0.813 4.002 0.50 0.00 C ATOM 1830 O ASP A 120 13.692 0.219 3.067 0.50 0.00 O ATOM 1831 CB ASP A 120 15.600 2.893 3.762 0.50 0.00 C ATOM 1832 CG ASP A 120 16.270 3.538 4.980 0.50 0.00 C ATOM 1833 OD1 ASP A 120 17.161 2.921 5.540 0.50 0.00 O ATOM 1834 OD2 ASP A 120 15.881 4.640 5.330 0.50 0.00 O ATOM 0 H ASP A 120 15.677 0.814 1.850 0.50 0.00 H new ATOM 0 HA ASP A 120 16.139 1.066 4.819 0.50 0.00 H new ATOM 0 HB2 ASP A 120 16.122 3.185 2.851 0.50 0.00 H new ATOM 0 HB3 ASP A 120 14.574 3.248 3.669 0.50 0.00 H new ATOM 1839 N GLN A 121 13.538 0.992 5.119 0.50 0.00 N ATOM 1840 CA GLN A 121 12.150 0.460 5.258 0.50 0.00 C ATOM 1841 C GLN A 121 11.276 1.428 6.059 0.50 0.00 C ATOM 1842 O GLN A 121 11.760 2.339 6.702 0.50 0.00 O ATOM 1843 CB GLN A 121 12.302 -0.868 6.004 0.50 0.00 C ATOM 1844 CG GLN A 121 11.933 -2.027 5.075 0.50 0.00 C ATOM 1845 CD GLN A 121 11.850 -3.324 5.882 0.50 0.00 C ATOM 1846 OE1 GLN A 121 11.472 -3.312 7.037 0.50 0.00 O ATOM 1847 NE2 GLN A 121 12.188 -4.452 5.320 0.50 0.00 N ATOM 0 H GLN A 121 13.902 1.481 5.937 0.50 0.00 H new ATOM 0 HA GLN A 121 11.667 0.332 4.289 0.50 0.00 H new ATOM 0 HB2 GLN A 121 13.327 -0.983 6.356 0.50 0.00 H new ATOM 0 HB3 GLN A 121 11.660 -0.877 6.885 0.50 0.00 H new ATOM 0 HG2 GLN A 121 10.978 -1.827 4.589 0.50 0.00 H new ATOM 0 HG3 GLN A 121 12.678 -2.125 4.285 0.50 0.00 H new ATOM 0 HE21 GLN A 121 12.505 -4.464 4.351 0.50 0.00 H new ATOM 0 HE22 GLN A 121 12.135 -5.322 5.850 0.50 0.00 H new ATOM 1856 N VAL A 122 9.987 1.230 6.018 0.50 0.00 N ATOM 1857 CA VAL A 122 9.052 2.121 6.767 0.50 0.00 C ATOM 1858 C VAL A 122 7.641 1.524 6.715 0.50 0.00 C ATOM 1859 O VAL A 122 7.343 0.689 5.882 0.50 0.00 O ATOM 1860 CB VAL A 122 9.112 3.493 6.059 0.50 0.00 C ATOM 1861 CG1 VAL A 122 9.409 3.313 4.568 0.50 0.00 C ATOM 1862 CG2 VAL A 122 7.776 4.231 6.216 0.50 0.00 C ATOM 0 H VAL A 122 9.536 0.481 5.492 0.50 0.00 H new ATOM 0 HA VAL A 122 9.322 2.225 7.818 0.50 0.00 H new ATOM 0 HB VAL A 122 9.909 4.077 6.519 0.50 0.00 H new ATOM 0 HG11 VAL A 122 9.448 4.289 4.084 0.50 0.00 H new ATOM 0 HG12 VAL A 122 10.368 2.809 4.446 0.50 0.00 H new ATOM 0 HG13 VAL A 122 8.623 2.712 4.110 0.50 0.00 H new ATOM 0 HG21 VAL A 122 7.832 5.196 5.713 0.50 0.00 H new ATOM 0 HG22 VAL A 122 6.977 3.636 5.772 0.50 0.00 H new ATOM 0 HG23 VAL A 122 7.568 4.386 7.275 0.50 0.00 H new ATOM 1872 N ASN A 123 6.775 1.938 7.598 0.50 0.00 N ATOM 1873 CA ASN A 123 5.389 1.383 7.596 0.50 0.00 C ATOM 1874 C ASN A 123 4.388 2.436 7.124 0.50 0.00 C ATOM 1875 O ASN A 123 4.478 3.596 7.468 0.50 0.00 O ATOM 1876 CB ASN A 123 5.101 0.985 9.044 0.50 0.00 C ATOM 1877 CG ASN A 123 5.325 2.184 9.970 0.50 0.00 C ATOM 1878 OD1 ASN A 123 6.429 2.679 10.085 0.50 0.00 O ATOM 1879 ND2 ASN A 123 4.318 2.675 10.638 0.50 0.00 N ATOM 0 H ASN A 123 6.964 2.634 8.319 0.50 0.00 H new ATOM 0 HA ASN A 123 5.299 0.534 6.918 0.50 0.00 H new ATOM 0 HB2 ASN A 123 4.074 0.631 9.135 0.50 0.00 H new ATOM 0 HB3 ASN A 123 5.750 0.160 9.339 0.50 0.00 H new ATOM 0 HD21 ASN A 123 4.457 3.474 11.257 0.50 0.00 H new ATOM 0 HD22 ASN A 123 3.391 2.260 10.542 0.50 0.00 H new ATOM 1886 N LEU A 124 3.430 2.026 6.342 0.50 0.00 N ATOM 1887 CA LEU A 124 2.403 2.981 5.835 0.50 0.00 C ATOM 1888 C LEU A 124 1.027 2.592 6.386 0.50 0.00 C ATOM 1889 O LEU A 124 0.526 1.516 6.124 0.50 0.00 O ATOM 1890 CB LEU A 124 2.450 2.832 4.310 0.50 0.00 C ATOM 1891 CG LEU A 124 1.332 3.657 3.655 0.50 0.00 C ATOM 1892 CD1 LEU A 124 1.944 4.737 2.762 0.50 0.00 C ATOM 1893 CD2 LEU A 124 0.464 2.735 2.796 0.50 0.00 C ATOM 0 H LEU A 124 3.312 1.062 6.029 0.50 0.00 H new ATOM 0 HA LEU A 124 2.588 4.010 6.142 0.50 0.00 H new ATOM 0 HB2 LEU A 124 3.420 3.161 3.936 0.50 0.00 H new ATOM 0 HB3 LEU A 124 2.343 1.782 4.038 0.50 0.00 H new ATOM 0 HG LEU A 124 0.727 4.125 4.431 0.50 0.00 H new ATOM 0 HD11 LEU A 124 1.148 5.320 2.299 0.50 0.00 H new ATOM 0 HD12 LEU A 124 2.572 5.394 3.364 0.50 0.00 H new ATOM 0 HD13 LEU A 124 2.549 4.268 1.986 0.50 0.00 H new ATOM 0 HD21 LEU A 124 -0.331 3.315 2.329 0.50 0.00 H new ATOM 0 HD22 LEU A 124 1.078 2.273 2.023 0.50 0.00 H new ATOM 0 HD23 LEU A 124 0.026 1.959 3.424 0.50 0.00 H new ATOM 1905 N THR A 125 0.419 3.455 7.155 0.50 0.00 N ATOM 1906 CA THR A 125 -0.917 3.131 7.732 0.50 0.00 C ATOM 1907 C THR A 125 -2.014 3.362 6.692 0.50 0.00 C ATOM 1908 O THR A 125 -1.925 4.251 5.869 0.50 0.00 O ATOM 1909 CB THR A 125 -1.085 4.093 8.911 0.50 0.00 C ATOM 1910 OG1 THR A 125 0.140 4.178 9.627 0.50 0.00 O ATOM 1911 CG2 THR A 125 -2.186 3.579 9.839 0.50 0.00 C ATOM 0 H THR A 125 0.790 4.371 7.408 0.50 0.00 H new ATOM 0 HA THR A 125 -0.989 2.089 8.043 0.50 0.00 H new ATOM 0 HB THR A 125 -1.359 5.080 8.539 0.50 0.00 H new ATOM 0 HG1 THR A 125 0.036 4.795 10.381 0.50 0.00 H new ATOM 0 HG21 THR A 125 -2.304 4.265 10.678 0.50 0.00 H new ATOM 0 HG22 THR A 125 -3.125 3.513 9.289 0.50 0.00 H new ATOM 0 HG23 THR A 125 -1.915 2.592 10.213 0.50 0.00 H new ATOM 1919 N VAL A 126 -3.049 2.567 6.723 0.50 0.00 N ATOM 1920 CA VAL A 126 -4.152 2.740 5.736 0.50 0.00 C ATOM 1921 C VAL A 126 -5.511 2.716 6.445 0.50 0.00 C ATOM 1922 O VAL A 126 -5.640 2.197 7.537 0.50 0.00 O ATOM 1923 CB VAL A 126 -4.018 1.555 4.773 0.50 0.00 C ATOM 1924 CG1 VAL A 126 -4.108 0.241 5.553 0.50 0.00 C ATOM 1925 CG2 VAL A 126 -5.143 1.608 3.736 0.50 0.00 C ATOM 0 H VAL A 126 -3.178 1.805 7.389 0.50 0.00 H new ATOM 0 HA VAL A 126 -4.090 3.694 5.212 0.50 0.00 H new ATOM 0 HB VAL A 126 -3.053 1.611 4.269 0.50 0.00 H new ATOM 0 HG11 VAL A 126 -4.012 -0.598 4.864 0.50 0.00 H new ATOM 0 HG12 VAL A 126 -3.306 0.199 6.289 0.50 0.00 H new ATOM 0 HG13 VAL A 126 -5.070 0.185 6.062 0.50 0.00 H new ATOM 0 HG21 VAL A 126 -5.047 0.765 3.052 0.50 0.00 H new ATOM 0 HG22 VAL A 126 -6.107 1.557 4.242 0.50 0.00 H new ATOM 0 HG23 VAL A 126 -5.077 2.540 3.175 0.50 0.00 H new ATOM 1935 N LYS A 127 -6.523 3.271 5.832 0.50 0.00 N ATOM 1936 CA LYS A 127 -7.873 3.279 6.472 0.50 0.00 C ATOM 1937 C LYS A 127 -8.955 3.593 5.433 0.50 0.00 C ATOM 1938 O LYS A 127 -9.076 4.710 4.968 0.50 0.00 O ATOM 1939 CB LYS A 127 -7.805 4.391 7.521 0.50 0.00 C ATOM 1940 CG LYS A 127 -7.620 3.775 8.911 0.50 0.00 C ATOM 1941 CD LYS A 127 -8.041 4.788 9.979 0.50 0.00 C ATOM 1942 CE LYS A 127 -7.069 4.722 11.160 0.50 0.00 C ATOM 1943 NZ LYS A 127 -7.641 3.693 12.071 0.50 0.00 N ATOM 0 H LYS A 127 -6.474 3.719 4.917 0.50 0.00 H new ATOM 0 HA LYS A 127 -8.125 2.314 6.911 0.50 0.00 H new ATOM 0 HB2 LYS A 127 -6.978 5.065 7.298 0.50 0.00 H new ATOM 0 HB3 LYS A 127 -8.718 4.986 7.494 0.50 0.00 H new ATOM 0 HG2 LYS A 127 -8.217 2.867 9.000 0.50 0.00 H new ATOM 0 HG3 LYS A 127 -6.579 3.488 9.057 0.50 0.00 H new ATOM 0 HD2 LYS A 127 -8.050 5.793 9.558 0.50 0.00 H new ATOM 0 HD3 LYS A 127 -9.055 4.575 10.317 0.50 0.00 H new ATOM 0 HE2 LYS A 127 -6.067 4.446 10.832 0.50 0.00 H new ATOM 0 HE3 LYS A 127 -6.986 5.688 11.658 0.50 0.00 H new ATOM 0 HZ1 LYS A 127 -7.030 3.590 12.906 0.50 0.00 H new ATOM 0 HZ2 LYS A 127 -8.592 3.986 12.372 0.50 0.00 H new ATOM 0 HZ3 LYS A 127 -7.701 2.783 11.572 0.50 0.00 H new ATOM 1957 N VAL A 128 -9.748 2.618 5.070 0.50 0.00 N ATOM 1958 CA VAL A 128 -10.828 2.865 4.069 0.50 0.00 C ATOM 1959 C VAL A 128 -12.052 3.473 4.759 0.50 0.00 C ATOM 1960 O VAL A 128 -12.640 2.879 5.641 0.50 0.00 O ATOM 1961 CB VAL A 128 -11.172 1.486 3.491 0.50 0.00 C ATOM 1962 CG1 VAL A 128 -12.330 1.620 2.499 0.50 0.00 C ATOM 1963 CG2 VAL A 128 -9.957 0.902 2.763 0.50 0.00 C ATOM 0 H VAL A 128 -9.694 1.663 5.423 0.50 0.00 H new ATOM 0 HA VAL A 128 -10.514 3.562 3.292 0.50 0.00 H new ATOM 0 HB VAL A 128 -11.457 0.824 4.308 0.50 0.00 H new ATOM 0 HG11 VAL A 128 -12.573 0.640 2.089 0.50 0.00 H new ATOM 0 HG12 VAL A 128 -13.202 2.026 3.011 0.50 0.00 H new ATOM 0 HG13 VAL A 128 -12.040 2.290 1.689 0.50 0.00 H new ATOM 0 HG21 VAL A 128 -10.212 -0.077 2.357 0.50 0.00 H new ATOM 0 HG22 VAL A 128 -9.665 1.567 1.950 0.50 0.00 H new ATOM 0 HG23 VAL A 128 -9.128 0.799 3.463 0.50 0.00 H new ATOM 1973 N ILE A 129 -12.446 4.646 4.350 0.50 0.00 N ATOM 1974 CA ILE A 129 -13.635 5.295 4.958 0.50 0.00 C ATOM 1975 C ILE A 129 -14.885 4.916 4.161 0.50 0.00 C ATOM 1976 O ILE A 129 -14.799 4.484 3.026 0.50 0.00 O ATOM 1977 CB ILE A 129 -13.352 6.795 4.849 0.50 0.00 C ATOM 1978 CG1 ILE A 129 -12.139 7.154 5.716 0.50 0.00 C ATOM 1979 CG2 ILE A 129 -14.570 7.585 5.322 0.50 0.00 C ATOM 1980 CD1 ILE A 129 -12.419 6.798 7.179 0.50 0.00 C ATOM 0 H ILE A 129 -11.990 5.186 3.614 0.50 0.00 H new ATOM 0 HA ILE A 129 -13.809 4.991 5.990 0.50 0.00 H new ATOM 0 HB ILE A 129 -13.141 7.046 3.809 0.50 0.00 H new ATOM 0 HG12 ILE A 129 -11.258 6.617 5.364 0.50 0.00 H new ATOM 0 HG13 ILE A 129 -11.920 8.218 5.627 0.50 0.00 H new ATOM 0 HG21 ILE A 129 -14.364 8.653 5.243 0.50 0.00 H new ATOM 0 HG22 ILE A 129 -15.430 7.334 4.701 0.50 0.00 H new ATOM 0 HG23 ILE A 129 -14.786 7.333 6.360 0.50 0.00 H new ATOM 0 HD11 ILE A 129 -11.553 7.056 7.788 0.50 0.00 H new ATOM 0 HD12 ILE A 129 -13.288 7.355 7.529 0.50 0.00 H new ATOM 0 HD13 ILE A 129 -12.616 5.729 7.262 0.50 0.00 H new ATOM 1992 N ASP A 130 -16.042 5.072 4.745 0.50 0.00 N ATOM 1993 CA ASP A 130 -17.298 4.718 4.021 0.50 0.00 C ATOM 1994 C ASP A 130 -18.288 5.884 4.079 0.50 0.00 C ATOM 1995 O ASP A 130 -17.837 7.018 4.120 0.50 0.00 O ATOM 1996 CB ASP A 130 -17.855 3.504 4.767 0.50 0.00 C ATOM 1997 CG ASP A 130 -18.635 2.620 3.794 0.50 0.00 C ATOM 1998 OD1 ASP A 130 -18.233 2.538 2.645 0.50 0.00 O ATOM 1999 OD2 ASP A 130 -19.623 2.039 4.213 0.50 0.00 O ATOM 2000 OXT ASP A 130 -19.480 5.625 4.080 0.50 0.00 O ATOM 0 H ASP A 130 -16.173 5.429 5.692 0.50 0.00 H new ATOM 0 HA ASP A 130 -17.122 4.504 2.967 0.50 0.00 H new ATOM 0 HB2 ASP A 130 -17.041 2.936 5.218 0.50 0.00 H new ATOM 0 HB3 ASP A 130 -18.505 3.830 5.579 0.50 0.00 H new