USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=14 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 Set 1.1: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS :FLIP no HE2:sc= -5.01! C(o=-7.6!,f=-5!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.23) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 75:sc= 0.65 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot -101:sc= 0.0291 USER MOD Single : A 89 THR OG1 : rot 140:sc= -1.24 USER MOD Single : A 90 THR OG1 : rot -140:sc= -2.27 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 133:sc= -3.96! USER MOD Single : A 97 THR OG1 : rot 39:sc= -0.169 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0127 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= -5.89! C(o=-5.9!,f=-8.9!) USER MOD Single : A 121 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 123 ASN : amide:sc= -0.0239 X(o=-0.024,f=0) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ -166:sc= -0.12 (180deg=-0.587) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 3 23.635 7.748 -4.405 0.50 0.00 N ATOM 45 CA GLU A 3 23.376 8.045 -2.966 0.50 0.00 C ATOM 46 C GLU A 3 22.697 6.848 -2.282 0.50 0.00 C ATOM 47 O GLU A 3 21.966 6.111 -2.911 0.50 0.00 O ATOM 48 CB GLU A 3 22.440 9.254 -2.977 0.50 0.00 C ATOM 49 CG GLU A 3 23.220 10.503 -3.391 0.50 0.00 C ATOM 50 CD GLU A 3 23.641 11.281 -2.143 0.50 0.00 C ATOM 51 OE1 GLU A 3 22.764 11.673 -1.390 0.50 0.00 O ATOM 52 OE2 GLU A 3 24.832 11.472 -1.961 0.50 0.00 O ATOM 0 HA GLU A 3 24.296 8.241 -2.416 0.50 0.00 H new ATOM 0 HB2 GLU A 3 21.615 9.082 -3.669 0.50 0.00 H new ATOM 0 HB3 GLU A 3 22.003 9.397 -1.989 0.50 0.00 H new ATOM 0 HG2 GLU A 3 24.099 10.220 -3.969 0.50 0.00 H new ATOM 0 HG3 GLU A 3 22.604 11.132 -4.034 0.50 0.00 H new ATOM 59 N PRO A 4 22.959 6.700 -1.006 0.50 0.00 N ATOM 60 CA PRO A 4 22.358 5.587 -0.225 0.50 0.00 C ATOM 61 C PRO A 4 20.835 5.741 -0.145 0.50 0.00 C ATOM 62 O PRO A 4 20.336 6.790 0.212 0.50 0.00 O ATOM 63 CB PRO A 4 23.003 5.730 1.154 0.50 0.00 C ATOM 64 CG PRO A 4 23.412 7.163 1.225 0.50 0.00 C ATOM 65 CD PRO A 4 23.822 7.539 -0.172 0.50 0.00 C ATOM 0 HA PRO A 4 22.532 4.607 -0.670 0.50 0.00 H new ATOM 0 HB2 PRO A 4 22.302 5.477 1.949 0.50 0.00 H new ATOM 0 HB3 PRO A 4 23.861 5.066 1.262 0.50 0.00 H new ATOM 0 HG2 PRO A 4 22.590 7.788 1.573 0.50 0.00 H new ATOM 0 HG3 PRO A 4 24.236 7.301 1.925 0.50 0.00 H new ATOM 0 HD2 PRO A 4 23.664 8.600 -0.367 0.50 0.00 H new ATOM 0 HD3 PRO A 4 24.878 7.336 -0.351 0.50 0.00 H new ATOM 73 N PRO A 5 20.144 4.683 -0.491 0.50 0.00 N ATOM 74 CA PRO A 5 18.659 4.698 -0.464 0.50 0.00 C ATOM 75 C PRO A 5 18.146 4.758 0.975 0.50 0.00 C ATOM 76 O PRO A 5 18.468 3.920 1.795 0.50 0.00 O ATOM 77 CB PRO A 5 18.279 3.372 -1.114 0.50 0.00 C ATOM 78 CG PRO A 5 19.460 2.492 -0.888 0.50 0.00 C ATOM 79 CD PRO A 5 20.665 3.383 -0.932 0.50 0.00 C ATOM 0 HA PRO A 5 18.233 5.562 -0.974 0.50 0.00 H new ATOM 0 HB2 PRO A 5 17.380 2.953 -0.663 0.50 0.00 H new ATOM 0 HB3 PRO A 5 18.074 3.496 -2.177 0.50 0.00 H new ATOM 0 HG2 PRO A 5 19.387 1.984 0.074 0.50 0.00 H new ATOM 0 HG3 PRO A 5 19.520 1.719 -1.654 0.50 0.00 H new ATOM 0 HD2 PRO A 5 21.455 3.023 -0.273 0.50 0.00 H new ATOM 0 HD3 PRO A 5 21.087 3.439 -1.935 0.50 0.00 H new ATOM 87 N LYS A 6 17.342 5.736 1.281 0.50 0.00 N ATOM 88 CA LYS A 6 16.792 5.850 2.660 0.50 0.00 C ATOM 89 C LYS A 6 15.424 6.529 2.614 0.50 0.00 C ATOM 90 O LYS A 6 15.078 7.182 1.650 0.50 0.00 O ATOM 91 CB LYS A 6 17.797 6.713 3.425 0.50 0.00 C ATOM 92 CG LYS A 6 18.911 5.826 3.992 0.50 0.00 C ATOM 93 CD LYS A 6 19.081 6.107 5.487 0.50 0.00 C ATOM 94 CE LYS A 6 20.209 7.123 5.693 0.50 0.00 C ATOM 95 NZ LYS A 6 21.420 6.300 5.968 0.50 0.00 N ATOM 0 H LYS A 6 17.041 6.464 0.633 0.50 0.00 H new ATOM 0 HA LYS A 6 16.655 4.879 3.135 0.50 0.00 H new ATOM 0 HB2 LYS A 6 18.221 7.468 2.763 0.50 0.00 H new ATOM 0 HB3 LYS A 6 17.294 7.244 4.233 0.50 0.00 H new ATOM 0 HG2 LYS A 6 18.668 4.775 3.835 0.50 0.00 H new ATOM 0 HG3 LYS A 6 19.846 6.019 3.467 0.50 0.00 H new ATOM 0 HD2 LYS A 6 18.150 6.492 5.903 0.50 0.00 H new ATOM 0 HD3 LYS A 6 19.309 5.183 6.018 0.50 0.00 H new ATOM 0 HE2 LYS A 6 20.347 7.745 4.809 0.50 0.00 H new ATOM 0 HE3 LYS A 6 19.990 7.794 6.524 0.50 0.00 H new ATOM 0 HZ1 LYS A 6 22.237 6.925 6.120 0.50 0.00 H new ATOM 0 HZ2 LYS A 6 21.262 5.723 6.819 0.50 0.00 H new ATOM 0 HZ3 LYS A 6 21.608 5.677 5.157 0.50 0.00 H new ATOM 109 N ILE A 7 14.643 6.374 3.646 0.50 0.00 N ATOM 110 CA ILE A 7 13.288 7.003 3.668 0.50 0.00 C ATOM 111 C ILE A 7 13.375 8.475 4.102 0.50 0.00 C ATOM 112 O ILE A 7 12.390 9.073 4.486 0.50 0.00 O ATOM 113 CB ILE A 7 12.488 6.181 4.689 0.50 0.00 C ATOM 114 CG1 ILE A 7 12.662 4.676 4.416 0.50 0.00 C ATOM 115 CG2 ILE A 7 11.003 6.538 4.589 0.50 0.00 C ATOM 116 CD1 ILE A 7 12.380 4.367 2.941 0.50 0.00 C ATOM 0 H ILE A 7 14.883 5.837 4.479 0.50 0.00 H new ATOM 0 HA ILE A 7 12.821 7.002 2.683 0.50 0.00 H new ATOM 0 HB ILE A 7 12.858 6.411 5.688 0.50 0.00 H new ATOM 0 HG12 ILE A 7 13.676 4.368 4.672 0.50 0.00 H new ATOM 0 HG13 ILE A 7 11.985 4.104 5.050 0.50 0.00 H new ATOM 0 HG21 ILE A 7 10.438 5.953 5.315 0.50 0.00 H new ATOM 0 HG22 ILE A 7 10.869 7.600 4.796 0.50 0.00 H new ATOM 0 HG23 ILE A 7 10.642 6.316 3.585 0.50 0.00 H new ATOM 0 HD11 ILE A 7 12.507 3.299 2.762 0.50 0.00 H new ATOM 0 HD12 ILE A 7 11.358 4.657 2.698 0.50 0.00 H new ATOM 0 HD13 ILE A 7 13.075 4.925 2.313 0.50 0.00 H new ATOM 128 N HIS A 8 14.542 9.070 4.042 0.50 0.00 N ATOM 129 CA HIS A 8 14.670 10.502 4.449 0.50 0.00 C ATOM 130 C HIS A 8 15.305 11.335 3.324 0.50 0.00 C ATOM 131 O HIS A 8 15.992 10.820 2.463 0.50 0.00 O ATOM 132 CB HIS A 8 15.553 10.489 5.706 0.50 0.00 C ATOM 133 CG HIS A 8 16.994 10.224 5.347 0.50 0.00 C ATOM 134 ND1 HIS A 8 17.581 9.635 4.254 0.50 0.00 N flip ATOM 135 CD2 HIS A 8 18.038 10.588 6.185 0.50 0.00 C flip ATOM 136 CE1 HIS A 8 18.964 9.631 4.411 0.50 0.00 C flip ATOM 137 NE2 HIS A 8 19.185 10.216 5.589 0.50 0.00 N flip ATOM 0 H HIS A 8 15.407 8.627 3.730 0.50 0.00 H new ATOM 0 HA HIS A 8 13.701 10.959 4.649 0.50 0.00 H new ATOM 0 HB2 HIS A 8 15.472 11.446 6.222 0.50 0.00 H new ATOM 0 HB3 HIS A 8 15.199 9.723 6.396 0.50 0.00 H new ATOM 0 HD1 HIS A 8 17.080 9.258 3.450 0.50 0.00 H new ATOM 0 HD2 HIS A 8 17.946 11.080 7.142 0.50 0.00 H new ATOM 0 HE1 HIS A 8 19.700 9.238 3.726 0.50 0.00 H new ATOM 232 N ILE A 15 8.511 9.541 6.207 0.50 0.00 N ATOM 233 CA ILE A 15 7.743 9.729 4.941 0.50 0.00 C ATOM 234 C ILE A 15 6.241 9.679 5.254 0.50 0.00 C ATOM 235 O ILE A 15 5.828 8.997 6.169 0.50 0.00 O ATOM 236 CB ILE A 15 8.174 8.550 4.043 0.50 0.00 C ATOM 237 CG1 ILE A 15 9.149 9.058 2.975 0.50 0.00 C ATOM 238 CG2 ILE A 15 6.956 7.917 3.354 0.50 0.00 C ATOM 239 CD1 ILE A 15 9.635 7.884 2.116 0.50 0.00 C ATOM 0 HA ILE A 15 7.934 10.685 4.454 0.50 0.00 H new ATOM 0 HB ILE A 15 8.656 7.796 4.665 0.50 0.00 H new ATOM 0 HG12 ILE A 15 8.659 9.802 2.347 0.50 0.00 H new ATOM 0 HG13 ILE A 15 9.998 9.550 3.449 0.50 0.00 H new ATOM 0 HG21 ILE A 15 7.283 7.088 2.726 0.50 0.00 H new ATOM 0 HG22 ILE A 15 6.262 7.548 4.109 0.50 0.00 H new ATOM 0 HG23 ILE A 15 6.458 8.665 2.737 0.50 0.00 H new ATOM 0 HD11 ILE A 15 10.328 8.250 1.358 0.50 0.00 H new ATOM 0 HD12 ILE A 15 10.141 7.155 2.749 0.50 0.00 H new ATOM 0 HD13 ILE A 15 8.782 7.411 1.630 0.50 0.00 H new ATOM 251 N PRO A 16 5.468 10.404 4.484 0.50 0.00 N ATOM 252 CA PRO A 16 4.002 10.424 4.701 0.50 0.00 C ATOM 253 C PRO A 16 3.379 9.121 4.196 0.50 0.00 C ATOM 254 O PRO A 16 2.473 9.127 3.386 0.50 0.00 O ATOM 255 CB PRO A 16 3.532 11.618 3.873 0.50 0.00 C ATOM 256 CG PRO A 16 4.573 11.797 2.813 0.50 0.00 C ATOM 257 CD PRO A 16 5.872 11.256 3.358 0.50 0.00 C ATOM 0 HA PRO A 16 3.720 10.510 5.750 0.50 0.00 H new ATOM 0 HB2 PRO A 16 2.552 11.431 3.434 0.50 0.00 H new ATOM 0 HB3 PRO A 16 3.440 12.512 4.489 0.50 0.00 H new ATOM 0 HG2 PRO A 16 4.289 11.268 1.903 0.50 0.00 H new ATOM 0 HG3 PRO A 16 4.676 12.850 2.551 0.50 0.00 H new ATOM 0 HD2 PRO A 16 6.413 10.686 2.603 0.50 0.00 H new ATOM 0 HD3 PRO A 16 6.532 12.060 3.684 0.50 0.00 H new ATOM 265 N ASP A 17 3.866 8.004 4.668 0.50 0.00 N ATOM 266 CA ASP A 17 3.313 6.694 4.215 0.50 0.00 C ATOM 267 C ASP A 17 1.947 6.433 4.858 0.50 0.00 C ATOM 268 O ASP A 17 1.823 5.694 5.813 0.50 0.00 O ATOM 269 CB ASP A 17 4.339 5.640 4.659 0.50 0.00 C ATOM 270 CG ASP A 17 4.759 5.880 6.115 0.50 0.00 C ATOM 271 OD1 ASP A 17 3.900 5.830 6.979 0.50 0.00 O ATOM 272 OD2 ASP A 17 5.936 6.109 6.338 0.50 0.00 O ATOM 0 H ASP A 17 4.624 7.942 5.348 0.50 0.00 H new ATOM 0 HA ASP A 17 3.157 6.671 3.137 0.50 0.00 H new ATOM 0 HB2 ASP A 17 3.912 4.642 4.557 0.50 0.00 H new ATOM 0 HB3 ASP A 17 5.214 5.680 4.010 0.50 0.00 H new ATOM 277 N THR A 18 0.916 7.030 4.329 0.50 0.00 N ATOM 278 CA THR A 18 -0.451 6.817 4.890 0.50 0.00 C ATOM 279 C THR A 18 -1.464 6.732 3.748 0.50 0.00 C ATOM 280 O THR A 18 -2.030 7.726 3.336 0.50 0.00 O ATOM 281 CB THR A 18 -0.726 8.042 5.762 0.50 0.00 C ATOM 282 OG1 THR A 18 -2.099 8.061 6.128 0.50 0.00 O ATOM 283 CG2 THR A 18 -0.386 9.312 4.983 0.50 0.00 C ATOM 0 H THR A 18 0.960 7.660 3.528 0.50 0.00 H new ATOM 0 HA THR A 18 -0.527 5.894 5.464 0.50 0.00 H new ATOM 0 HB THR A 18 -0.110 7.995 6.660 0.50 0.00 H new ATOM 0 HG1 THR A 18 -2.277 8.845 6.688 0.50 0.00 H new ATOM 0 HG21 THR A 18 -0.583 10.185 5.606 0.50 0.00 H new ATOM 0 HG22 THR A 18 0.667 9.296 4.703 0.50 0.00 H new ATOM 0 HG23 THR A 18 -1.000 9.363 4.084 0.50 0.00 H new ATOM 291 N ILE A 19 -1.690 5.560 3.225 0.50 0.00 N ATOM 292 CA ILE A 19 -2.660 5.427 2.099 0.50 0.00 C ATOM 293 C ILE A 19 -4.096 5.330 2.626 0.50 0.00 C ATOM 294 O ILE A 19 -4.429 4.449 3.389 0.50 0.00 O ATOM 295 CB ILE A 19 -2.255 4.144 1.370 0.50 0.00 C ATOM 296 CG1 ILE A 19 -3.086 4.017 0.095 0.50 0.00 C ATOM 297 CG2 ILE A 19 -2.502 2.925 2.264 0.50 0.00 C ATOM 298 CD1 ILE A 19 -2.667 5.111 -0.890 0.50 0.00 C ATOM 0 H ILE A 19 -1.248 4.691 3.525 0.50 0.00 H new ATOM 0 HA ILE A 19 -2.636 6.292 1.437 0.50 0.00 H new ATOM 0 HB ILE A 19 -1.194 4.188 1.124 0.50 0.00 H new ATOM 0 HG12 ILE A 19 -2.940 3.034 -0.352 0.50 0.00 H new ATOM 0 HG13 ILE A 19 -4.147 4.107 0.328 0.50 0.00 H new ATOM 0 HG21 ILE A 19 -2.210 2.019 1.733 0.50 0.00 H new ATOM 0 HG22 ILE A 19 -1.912 3.017 3.176 0.50 0.00 H new ATOM 0 HG23 ILE A 19 -3.560 2.870 2.520 0.50 0.00 H new ATOM 0 HD11 ILE A 19 -3.257 5.025 -1.802 0.50 0.00 H new ATOM 0 HD12 ILE A 19 -2.835 6.089 -0.440 0.50 0.00 H new ATOM 0 HD13 ILE A 19 -1.610 4.999 -1.130 0.50 0.00 H new ATOM 310 N VAL A 20 -4.948 6.231 2.219 0.50 0.00 N ATOM 311 CA VAL A 20 -6.361 6.190 2.692 0.50 0.00 C ATOM 312 C VAL A 20 -7.314 6.165 1.495 0.50 0.00 C ATOM 313 O VAL A 20 -7.052 6.757 0.467 0.50 0.00 O ATOM 314 CB VAL A 20 -6.545 7.474 3.500 0.50 0.00 C ATOM 315 CG1 VAL A 20 -7.986 7.552 4.007 0.50 0.00 C ATOM 316 CG2 VAL A 20 -5.586 7.468 4.692 0.50 0.00 C ATOM 0 H VAL A 20 -4.727 6.994 1.579 0.50 0.00 H new ATOM 0 HA VAL A 20 -6.575 5.302 3.287 0.50 0.00 H new ATOM 0 HB VAL A 20 -6.333 8.336 2.868 0.50 0.00 H new ATOM 0 HG11 VAL A 20 -8.120 8.467 4.584 0.50 0.00 H new ATOM 0 HG12 VAL A 20 -8.671 7.554 3.159 0.50 0.00 H new ATOM 0 HG13 VAL A 20 -8.196 6.690 4.640 0.50 0.00 H new ATOM 0 HG21 VAL A 20 -5.717 8.384 5.269 0.50 0.00 H new ATOM 0 HG22 VAL A 20 -5.798 6.607 5.325 0.50 0.00 H new ATOM 0 HG23 VAL A 20 -4.559 7.409 4.332 0.50 0.00 H new ATOM 326 N VAL A 21 -8.419 5.483 1.624 0.50 0.00 N ATOM 327 CA VAL A 21 -9.392 5.415 0.496 0.50 0.00 C ATOM 328 C VAL A 21 -10.826 5.506 1.027 0.50 0.00 C ATOM 329 O VAL A 21 -11.093 5.202 2.174 0.50 0.00 O ATOM 330 CB VAL A 21 -9.144 4.053 -0.157 0.50 0.00 C ATOM 331 CG1 VAL A 21 -9.306 2.942 0.885 0.50 0.00 C ATOM 332 CG2 VAL A 21 -10.148 3.836 -1.291 0.50 0.00 C ATOM 0 H VAL A 21 -8.691 4.969 2.462 0.50 0.00 H new ATOM 0 HA VAL A 21 -9.265 6.235 -0.211 0.50 0.00 H new ATOM 0 HB VAL A 21 -8.131 4.028 -0.558 0.50 0.00 H new ATOM 0 HG11 VAL A 21 -9.129 1.974 0.416 0.50 0.00 H new ATOM 0 HG12 VAL A 21 -8.588 3.092 1.691 0.50 0.00 H new ATOM 0 HG13 VAL A 21 -10.317 2.968 1.291 0.50 0.00 H new ATOM 0 HG21 VAL A 21 -9.969 2.866 -1.754 0.50 0.00 H new ATOM 0 HG22 VAL A 21 -11.161 3.866 -0.890 0.50 0.00 H new ATOM 0 HG23 VAL A 21 -10.030 4.622 -2.037 0.50 0.00 H new ATOM 342 N VAL A 22 -11.747 5.919 0.200 0.50 0.00 N ATOM 343 CA VAL A 22 -13.164 6.023 0.655 0.50 0.00 C ATOM 344 C VAL A 22 -13.928 4.757 0.258 0.50 0.00 C ATOM 345 O VAL A 22 -14.944 4.810 -0.407 0.50 0.00 O ATOM 346 CB VAL A 22 -13.731 7.252 -0.058 0.50 0.00 C ATOM 347 CG1 VAL A 22 -15.192 7.454 0.352 0.50 0.00 C ATOM 348 CG2 VAL A 22 -12.919 8.488 0.334 0.50 0.00 C ATOM 0 H VAL A 22 -11.581 6.189 -0.770 0.50 0.00 H new ATOM 0 HA VAL A 22 -13.248 6.121 1.737 0.50 0.00 H new ATOM 0 HB VAL A 22 -13.673 7.103 -1.136 0.50 0.00 H new ATOM 0 HG11 VAL A 22 -15.595 8.330 -0.157 0.50 0.00 H new ATOM 0 HG12 VAL A 22 -15.773 6.574 0.075 0.50 0.00 H new ATOM 0 HG13 VAL A 22 -15.250 7.602 1.430 0.50 0.00 H new ATOM 0 HG21 VAL A 22 -13.322 9.364 -0.174 0.50 0.00 H new ATOM 0 HG22 VAL A 22 -12.977 8.635 1.413 0.50 0.00 H new ATOM 0 HG23 VAL A 22 -11.878 8.347 0.043 0.50 0.00 H new ATOM 358 N ALA A 23 -13.436 3.622 0.678 0.50 0.00 N ATOM 359 CA ALA A 23 -14.101 2.320 0.357 0.50 0.00 C ATOM 360 C ALA A 23 -14.580 2.269 -1.103 0.50 0.00 C ATOM 361 O ALA A 23 -15.765 2.273 -1.375 0.50 0.00 O ATOM 362 CB ALA A 23 -15.287 2.242 1.316 0.50 0.00 C ATOM 0 H ALA A 23 -12.588 3.538 1.239 0.50 0.00 H new ATOM 0 HA ALA A 23 -13.414 1.482 0.471 0.50 0.00 H new ATOM 0 HB1 ALA A 23 -15.831 1.313 1.147 0.50 0.00 H new ATOM 0 HB2 ALA A 23 -14.926 2.269 2.344 0.50 0.00 H new ATOM 0 HB3 ALA A 23 -15.951 3.089 1.143 0.50 0.00 H new ATOM 368 N GLY A 24 -13.668 2.198 -2.039 0.50 0.00 N ATOM 369 CA GLY A 24 -14.073 2.122 -3.475 0.50 0.00 C ATOM 370 C GLY A 24 -14.023 3.509 -4.122 0.50 0.00 C ATOM 371 O GLY A 24 -14.938 3.909 -4.815 0.50 0.00 O ATOM 0 H GLY A 24 -12.662 2.189 -1.871 0.50 0.00 H new ATOM 0 HA2 GLY A 24 -13.411 1.441 -4.010 0.50 0.00 H new ATOM 0 HA3 GLY A 24 -15.081 1.714 -3.553 0.50 0.00 H new ATOM 375 N ASN A 25 -12.964 4.244 -3.913 0.50 0.00 N ATOM 376 CA ASN A 25 -12.864 5.600 -4.530 0.50 0.00 C ATOM 377 C ASN A 25 -11.440 5.855 -5.034 0.50 0.00 C ATOM 378 O ASN A 25 -10.499 5.207 -4.618 0.50 0.00 O ATOM 379 CB ASN A 25 -13.217 6.574 -3.409 0.50 0.00 C ATOM 380 CG ASN A 25 -13.283 7.996 -3.967 0.50 0.00 C ATOM 381 OD1 ASN A 25 -12.590 8.878 -3.500 0.50 0.00 O ATOM 382 ND2 ASN A 25 -14.093 8.259 -4.955 0.50 0.00 N ATOM 0 H ASN A 25 -12.165 3.966 -3.343 0.50 0.00 H new ATOM 0 HA ASN A 25 -13.526 5.709 -5.389 0.50 0.00 H new ATOM 0 HB2 ASN A 25 -14.175 6.302 -2.965 0.50 0.00 H new ATOM 0 HB3 ASN A 25 -12.471 6.518 -2.616 0.50 0.00 H new ATOM 0 HD21 ASN A 25 -14.144 9.204 -5.335 0.50 0.00 H new ATOM 0 HD22 ASN A 25 -14.675 7.519 -5.348 0.50 0.00 H new ATOM 389 N LYS A 26 -11.275 6.799 -5.924 0.50 0.00 N ATOM 390 CA LYS A 26 -9.910 7.102 -6.450 0.50 0.00 C ATOM 391 C LYS A 26 -9.012 7.591 -5.311 0.50 0.00 C ATOM 392 O LYS A 26 -9.281 8.597 -4.685 0.50 0.00 O ATOM 393 CB LYS A 26 -10.117 8.210 -7.485 0.50 0.00 C ATOM 394 CG LYS A 26 -11.005 7.690 -8.622 0.50 0.00 C ATOM 395 CD LYS A 26 -12.397 8.327 -8.528 0.50 0.00 C ATOM 396 CE LYS A 26 -13.455 7.231 -8.363 0.50 0.00 C ATOM 397 NZ LYS A 26 -14.045 7.060 -9.720 0.50 0.00 N ATOM 0 H LYS A 26 -12.025 7.373 -6.309 0.50 0.00 H new ATOM 0 HA LYS A 26 -9.429 6.227 -6.887 0.50 0.00 H new ATOM 0 HB2 LYS A 26 -10.580 9.078 -7.016 0.50 0.00 H new ATOM 0 HB3 LYS A 26 -9.155 8.536 -7.881 0.50 0.00 H new ATOM 0 HG2 LYS A 26 -10.552 7.924 -9.585 0.50 0.00 H new ATOM 0 HG3 LYS A 26 -11.087 6.605 -8.564 0.50 0.00 H new ATOM 0 HD2 LYS A 26 -12.437 9.015 -7.683 0.50 0.00 H new ATOM 0 HD3 LYS A 26 -12.602 8.912 -9.425 0.50 0.00 H new ATOM 0 HE2 LYS A 26 -13.009 6.302 -8.006 0.50 0.00 H new ATOM 0 HE3 LYS A 26 -14.214 7.521 -7.636 0.50 0.00 H new ATOM 0 HZ1 LYS A 26 -14.780 6.324 -9.689 0.50 0.00 H new ATOM 0 HZ2 LYS A 26 -14.467 7.958 -10.031 0.50 0.00 H new ATOM 0 HZ3 LYS A 26 -13.301 6.778 -10.389 0.50 0.00 H new ATOM 411 N LEU A 27 -7.952 6.878 -5.028 0.50 0.00 N ATOM 412 CA LEU A 27 -7.046 7.296 -3.920 0.50 0.00 C ATOM 413 C LEU A 27 -5.639 7.590 -4.460 0.50 0.00 C ATOM 414 O LEU A 27 -5.161 6.940 -5.369 0.50 0.00 O ATOM 415 CB LEU A 27 -7.056 6.098 -2.953 0.50 0.00 C ATOM 416 CG LEU A 27 -5.659 5.839 -2.378 0.50 0.00 C ATOM 417 CD1 LEU A 27 -5.213 7.038 -1.534 0.50 0.00 C ATOM 418 CD2 LEU A 27 -5.704 4.583 -1.503 0.50 0.00 C ATOM 0 H LEU A 27 -7.676 6.026 -5.516 0.50 0.00 H new ATOM 0 HA LEU A 27 -7.366 8.214 -3.426 0.50 0.00 H new ATOM 0 HB2 LEU A 27 -7.757 6.289 -2.140 0.50 0.00 H new ATOM 0 HB3 LEU A 27 -7.408 5.208 -3.475 0.50 0.00 H new ATOM 0 HG LEU A 27 -4.950 5.696 -3.193 0.50 0.00 H new ATOM 0 HD11 LEU A 27 -4.219 6.848 -1.128 0.50 0.00 H new ATOM 0 HD12 LEU A 27 -5.185 7.932 -2.157 0.50 0.00 H new ATOM 0 HD13 LEU A 27 -5.917 7.188 -0.715 0.50 0.00 H new ATOM 0 HD21 LEU A 27 -4.714 4.392 -1.090 0.50 0.00 H new ATOM 0 HD22 LEU A 27 -6.414 4.732 -0.689 0.50 0.00 H new ATOM 0 HD23 LEU A 27 -6.016 3.730 -2.106 0.50 0.00 H new ATOM 430 N ARG A 28 -4.975 8.564 -3.895 0.50 0.00 N ATOM 431 CA ARG A 28 -3.599 8.908 -4.357 0.50 0.00 C ATOM 432 C ARG A 28 -2.664 9.047 -3.149 0.50 0.00 C ATOM 433 O ARG A 28 -3.084 9.421 -2.072 0.50 0.00 O ATOM 434 CB ARG A 28 -3.744 10.250 -5.076 0.50 0.00 C ATOM 435 CG ARG A 28 -4.610 10.071 -6.324 0.50 0.00 C ATOM 436 CD ARG A 28 -4.920 11.442 -6.930 0.50 0.00 C ATOM 437 NE ARG A 28 -6.154 11.899 -6.233 0.50 0.00 N ATOM 438 CZ ARG A 28 -7.197 12.264 -6.926 0.50 0.00 C ATOM 439 NH1 ARG A 28 -7.598 11.538 -7.935 0.50 0.00 N ATOM 440 NH2 ARG A 28 -7.840 13.356 -6.612 0.50 0.00 N ATOM 0 H ARG A 28 -5.329 9.138 -3.130 0.50 0.00 H new ATOM 0 HA ARG A 28 -3.176 8.143 -5.008 0.50 0.00 H new ATOM 0 HB2 ARG A 28 -4.196 10.984 -4.409 0.50 0.00 H new ATOM 0 HB3 ARG A 28 -2.762 10.633 -5.354 0.50 0.00 H new ATOM 0 HG2 ARG A 28 -4.092 9.448 -7.053 0.50 0.00 H new ATOM 0 HG3 ARG A 28 -5.536 9.557 -6.067 0.50 0.00 H new ATOM 0 HD2 ARG A 28 -4.097 12.139 -6.773 0.50 0.00 H new ATOM 0 HD3 ARG A 28 -5.077 11.372 -8.006 0.50 0.00 H new ATOM 0 HE ARG A 28 -6.184 11.927 -5.214 0.50 0.00 H new ATOM 0 HH11 ARG A 28 -7.095 10.685 -8.181 0.50 0.00 H new ATOM 0 HH12 ARG A 28 -8.414 11.824 -8.477 0.50 0.00 H new ATOM 0 HH21 ARG A 28 -7.527 13.924 -5.825 0.50 0.00 H new ATOM 0 HH22 ARG A 28 -8.656 13.641 -7.154 0.50 0.00 H new ATOM 454 N LEU A 29 -1.402 8.747 -3.319 0.50 0.00 N ATOM 455 CA LEU A 29 -0.449 8.863 -2.176 0.50 0.00 C ATOM 456 C LEU A 29 0.909 9.365 -2.672 0.50 0.00 C ATOM 457 O LEU A 29 1.440 8.877 -3.650 0.50 0.00 O ATOM 458 CB LEU A 29 -0.335 7.444 -1.612 0.50 0.00 C ATOM 459 CG LEU A 29 0.667 7.414 -0.456 0.50 0.00 C ATOM 460 CD1 LEU A 29 0.243 8.415 0.622 0.50 0.00 C ATOM 461 CD2 LEU A 29 0.712 6.009 0.148 0.50 0.00 C ATOM 0 H LEU A 29 -0.992 8.428 -4.197 0.50 0.00 H new ATOM 0 HA LEU A 29 -0.788 9.572 -1.420 0.50 0.00 H new ATOM 0 HB2 LEU A 29 -1.311 7.103 -1.266 0.50 0.00 H new ATOM 0 HB3 LEU A 29 -0.017 6.757 -2.397 0.50 0.00 H new ATOM 0 HG LEU A 29 1.654 7.682 -0.832 0.50 0.00 H new ATOM 0 HD11 LEU A 29 0.959 8.390 1.443 0.50 0.00 H new ATOM 0 HD12 LEU A 29 0.214 9.418 0.196 0.50 0.00 H new ATOM 0 HD13 LEU A 29 -0.746 8.150 0.995 0.50 0.00 H new ATOM 0 HD21 LEU A 29 1.426 5.990 0.971 0.50 0.00 H new ATOM 0 HD22 LEU A 29 -0.277 5.741 0.519 0.50 0.00 H new ATOM 0 HD23 LEU A 29 1.019 5.294 -0.616 0.50 0.00 H new ATOM 473 N ASP A 30 1.470 10.343 -2.010 0.50 0.00 N ATOM 474 CA ASP A 30 2.790 10.884 -2.450 0.50 0.00 C ATOM 475 C ASP A 30 3.782 10.912 -1.281 0.50 0.00 C ATOM 476 O ASP A 30 3.524 11.500 -0.249 0.50 0.00 O ATOM 477 CB ASP A 30 2.494 12.310 -2.926 0.50 0.00 C ATOM 478 CG ASP A 30 1.407 12.288 -4.005 0.50 0.00 C ATOM 479 OD1 ASP A 30 1.241 11.256 -4.634 0.50 0.00 O ATOM 480 OD2 ASP A 30 0.760 13.306 -4.184 0.50 0.00 O ATOM 0 H ASP A 30 1.072 10.790 -1.184 0.50 0.00 H new ATOM 0 HA ASP A 30 3.240 10.271 -3.231 0.50 0.00 H new ATOM 0 HB2 ASP A 30 2.170 12.923 -2.085 0.50 0.00 H new ATOM 0 HB3 ASP A 30 3.402 12.766 -3.322 0.50 0.00 H new ATOM 485 N VAL A 31 4.920 10.289 -1.443 0.50 0.00 N ATOM 486 CA VAL A 31 5.941 10.283 -0.352 0.50 0.00 C ATOM 487 C VAL A 31 7.346 10.455 -0.955 0.50 0.00 C ATOM 488 O VAL A 31 7.698 9.771 -1.895 0.50 0.00 O ATOM 489 CB VAL A 31 5.808 8.917 0.331 0.50 0.00 C ATOM 490 CG1 VAL A 31 4.532 8.884 1.174 0.50 0.00 C ATOM 491 CG2 VAL A 31 5.742 7.809 -0.724 0.50 0.00 C ATOM 0 H VAL A 31 5.188 9.782 -2.287 0.50 0.00 H new ATOM 0 HA VAL A 31 5.791 11.096 0.358 0.50 0.00 H new ATOM 0 HB VAL A 31 6.676 8.757 0.971 0.50 0.00 H new ATOM 0 HG11 VAL A 31 4.441 7.912 1.658 0.50 0.00 H new ATOM 0 HG12 VAL A 31 4.577 9.665 1.933 0.50 0.00 H new ATOM 0 HG13 VAL A 31 3.667 9.052 0.532 0.50 0.00 H new ATOM 0 HG21 VAL A 31 5.648 6.842 -0.230 0.50 0.00 H new ATOM 0 HG22 VAL A 31 4.879 7.973 -1.370 0.50 0.00 H new ATOM 0 HG23 VAL A 31 6.652 7.823 -1.324 0.50 0.00 H new ATOM 501 N PRO A 32 8.103 11.376 -0.407 0.50 0.00 N ATOM 502 CA PRO A 32 9.468 11.635 -0.919 0.50 0.00 C ATOM 503 C PRO A 32 10.475 10.654 -0.310 0.50 0.00 C ATOM 504 O PRO A 32 10.321 10.206 0.809 0.50 0.00 O ATOM 505 CB PRO A 32 9.754 13.057 -0.452 0.50 0.00 C ATOM 506 CG PRO A 32 8.884 13.274 0.753 0.50 0.00 C ATOM 507 CD PRO A 32 7.771 12.252 0.722 0.50 0.00 C ATOM 0 HA PRO A 32 9.547 11.514 -1.999 0.50 0.00 H new ATOM 0 HB2 PRO A 32 10.807 13.182 -0.201 0.50 0.00 H new ATOM 0 HB3 PRO A 32 9.525 13.780 -1.235 0.50 0.00 H new ATOM 0 HG2 PRO A 32 9.469 13.172 1.667 0.50 0.00 H new ATOM 0 HG3 PRO A 32 8.473 14.284 0.748 0.50 0.00 H new ATOM 0 HD2 PRO A 32 7.721 11.693 1.656 0.50 0.00 H new ATOM 0 HD3 PRO A 32 6.800 12.728 0.582 0.50 0.00 H new ATOM 515 N ILE A 33 11.512 10.324 -1.038 0.50 0.00 N ATOM 516 CA ILE A 33 12.538 9.377 -0.499 0.50 0.00 C ATOM 517 C ILE A 33 13.928 9.762 -1.019 0.50 0.00 C ATOM 518 O ILE A 33 14.095 10.762 -1.688 0.50 0.00 O ATOM 519 CB ILE A 33 12.161 7.974 -1.010 0.50 0.00 C ATOM 520 CG1 ILE A 33 10.665 7.897 -1.348 0.50 0.00 C ATOM 521 CG2 ILE A 33 12.487 6.942 0.076 0.50 0.00 C ATOM 522 CD1 ILE A 33 10.343 6.523 -1.944 0.50 0.00 C ATOM 0 H ILE A 33 11.693 10.668 -1.981 0.50 0.00 H new ATOM 0 HA ILE A 33 12.563 9.406 0.590 0.50 0.00 H new ATOM 0 HB ILE A 33 12.732 7.767 -1.915 0.50 0.00 H new ATOM 0 HG12 ILE A 33 10.070 8.064 -0.450 0.50 0.00 H new ATOM 0 HG13 ILE A 33 10.401 8.683 -2.056 0.50 0.00 H new ATOM 0 HG21 ILE A 33 12.223 5.945 -0.278 0.50 0.00 H new ATOM 0 HG22 ILE A 33 13.553 6.976 0.302 0.50 0.00 H new ATOM 0 HG23 ILE A 33 11.917 7.170 0.977 0.50 0.00 H new ATOM 0 HD11 ILE A 33 9.281 6.470 -2.183 0.50 0.00 H new ATOM 0 HD12 ILE A 33 10.927 6.374 -2.852 0.50 0.00 H new ATOM 0 HD13 ILE A 33 10.591 5.746 -1.221 0.50 0.00 H new ATOM 534 N SER A 34 14.922 8.968 -0.719 0.50 0.00 N ATOM 535 CA SER A 34 16.302 9.276 -1.198 0.50 0.00 C ATOM 536 C SER A 34 16.654 8.367 -2.383 0.50 0.00 C ATOM 537 O SER A 34 15.796 7.991 -3.155 0.50 0.00 O ATOM 538 CB SER A 34 17.209 8.992 0.000 0.50 0.00 C ATOM 539 OG SER A 34 18.121 10.070 0.164 0.50 0.00 O ATOM 0 H SER A 34 14.838 8.118 -0.162 0.50 0.00 H new ATOM 0 HA SER A 34 16.408 10.304 -1.545 0.50 0.00 H new ATOM 0 HB2 SER A 34 16.610 8.866 0.902 0.50 0.00 H new ATOM 0 HB3 SER A 34 17.753 8.060 -0.154 0.50 0.00 H new ATOM 0 HG SER A 34 18.703 9.892 0.932 0.50 0.00 H new ATOM 545 N GLY A 35 17.904 8.009 -2.535 0.50 0.00 N ATOM 546 CA GLY A 35 18.292 7.123 -3.670 0.50 0.00 C ATOM 547 C GLY A 35 18.531 7.966 -4.923 0.50 0.00 C ATOM 548 O GLY A 35 17.899 8.985 -5.127 0.50 0.00 O ATOM 0 H GLY A 35 18.669 8.292 -1.923 0.50 0.00 H new ATOM 0 HA2 GLY A 35 19.194 6.566 -3.417 0.50 0.00 H new ATOM 0 HA3 GLY A 35 17.507 6.390 -3.857 0.50 0.00 H new ATOM 552 N ASP A 36 19.440 7.549 -5.763 0.50 0.00 N ATOM 553 CA ASP A 36 19.724 8.324 -7.006 0.50 0.00 C ATOM 554 C ASP A 36 20.248 7.388 -8.110 0.50 0.00 C ATOM 555 O ASP A 36 21.143 6.606 -7.866 0.50 0.00 O ATOM 556 CB ASP A 36 20.804 9.329 -6.601 0.50 0.00 C ATOM 557 CG ASP A 36 20.717 10.565 -7.500 0.50 0.00 C ATOM 558 OD1 ASP A 36 19.925 11.441 -7.194 0.50 0.00 O ATOM 559 OD2 ASP A 36 21.444 10.612 -8.478 0.50 0.00 O ATOM 0 H ASP A 36 19.999 6.704 -5.642 0.50 0.00 H new ATOM 0 HA ASP A 36 18.834 8.813 -7.402 0.50 0.00 H new ATOM 0 HB2 ASP A 36 20.675 9.616 -5.557 0.50 0.00 H new ATOM 0 HB3 ASP A 36 21.790 8.873 -6.687 0.50 0.00 H new ATOM 564 N PRO A 37 19.688 7.491 -9.298 0.50 0.00 N ATOM 565 CA PRO A 37 18.594 8.456 -9.576 0.50 0.00 C ATOM 566 C PRO A 37 17.268 7.929 -9.021 0.50 0.00 C ATOM 567 O PRO A 37 16.656 8.542 -8.168 0.50 0.00 O ATOM 568 CB PRO A 37 18.559 8.532 -11.099 0.50 0.00 C ATOM 569 CG PRO A 37 19.142 7.239 -11.578 0.50 0.00 C ATOM 570 CD PRO A 37 20.039 6.706 -10.488 0.50 0.00 C ATOM 0 HA PRO A 37 18.751 9.430 -9.113 0.50 0.00 H new ATOM 0 HB2 PRO A 37 17.539 8.661 -11.462 0.50 0.00 H new ATOM 0 HB3 PRO A 37 19.137 9.382 -11.463 0.50 0.00 H new ATOM 0 HG2 PRO A 37 18.351 6.524 -11.805 0.50 0.00 H new ATOM 0 HG3 PRO A 37 19.707 7.392 -12.497 0.50 0.00 H new ATOM 0 HD2 PRO A 37 19.872 5.642 -10.323 0.50 0.00 H new ATOM 0 HD3 PRO A 37 21.091 6.828 -10.746 0.50 0.00 H new ATOM 578 N ALA A 38 16.822 6.795 -9.494 0.50 0.00 N ATOM 579 CA ALA A 38 15.538 6.226 -8.990 0.50 0.00 C ATOM 580 C ALA A 38 15.811 4.967 -8.155 0.50 0.00 C ATOM 581 O ALA A 38 16.470 4.055 -8.615 0.50 0.00 O ATOM 582 CB ALA A 38 14.741 5.874 -10.245 0.50 0.00 C ATOM 0 H ALA A 38 17.292 6.238 -10.208 0.50 0.00 H new ATOM 0 HA ALA A 38 14.999 6.924 -8.349 0.50 0.00 H new ATOM 0 HB1 ALA A 38 13.780 5.448 -9.958 0.50 0.00 H new ATOM 0 HB2 ALA A 38 14.577 6.775 -10.836 0.50 0.00 H new ATOM 0 HB3 ALA A 38 15.297 5.148 -10.837 0.50 0.00 H new ATOM 588 N PRO A 39 15.302 4.959 -6.949 0.50 0.00 N ATOM 589 CA PRO A 39 15.503 3.805 -6.048 0.50 0.00 C ATOM 590 C PRO A 39 14.445 2.731 -6.307 0.50 0.00 C ATOM 591 O PRO A 39 13.735 2.769 -7.293 0.50 0.00 O ATOM 592 CB PRO A 39 15.317 4.409 -4.661 0.50 0.00 C ATOM 593 CG PRO A 39 14.443 5.614 -4.857 0.50 0.00 C ATOM 594 CD PRO A 39 14.502 6.009 -6.315 0.50 0.00 C ATOM 0 HA PRO A 39 16.471 3.321 -6.181 0.50 0.00 H new ATOM 0 HB2 PRO A 39 14.852 3.694 -3.982 0.50 0.00 H new ATOM 0 HB3 PRO A 39 16.276 4.688 -4.223 0.50 0.00 H new ATOM 0 HG2 PRO A 39 13.417 5.391 -4.565 0.50 0.00 H new ATOM 0 HG3 PRO A 39 14.782 6.436 -4.227 0.50 0.00 H new ATOM 0 HD2 PRO A 39 13.505 6.066 -6.751 0.50 0.00 H new ATOM 0 HD3 PRO A 39 14.962 6.989 -6.442 0.50 0.00 H new ATOM 602 N THR A 40 14.329 1.780 -5.419 0.50 0.00 N ATOM 603 CA THR A 40 13.308 0.710 -5.599 0.50 0.00 C ATOM 604 C THR A 40 12.372 0.689 -4.390 0.50 0.00 C ATOM 605 O THR A 40 12.581 -0.041 -3.442 0.50 0.00 O ATOM 606 CB THR A 40 14.100 -0.598 -5.687 0.50 0.00 C ATOM 607 OG1 THR A 40 15.379 -0.346 -6.253 0.50 0.00 O ATOM 608 CG2 THR A 40 13.342 -1.598 -6.560 0.50 0.00 C ATOM 0 H THR A 40 14.898 1.699 -4.576 0.50 0.00 H new ATOM 0 HA THR A 40 12.695 0.865 -6.487 0.50 0.00 H new ATOM 0 HB THR A 40 14.224 -1.012 -4.686 0.50 0.00 H new ATOM 0 HG1 THR A 40 15.950 0.092 -5.588 0.50 0.00 H new ATOM 0 HG21 THR A 40 13.907 -2.528 -6.622 0.50 0.00 H new ATOM 0 HG22 THR A 40 12.364 -1.796 -6.121 0.50 0.00 H new ATOM 0 HG23 THR A 40 13.214 -1.184 -7.560 0.50 0.00 H new ATOM 616 N VAL A 41 11.341 1.488 -4.421 0.50 0.00 N ATOM 617 CA VAL A 41 10.384 1.524 -3.277 0.50 0.00 C ATOM 618 C VAL A 41 9.250 0.519 -3.507 0.50 0.00 C ATOM 619 O VAL A 41 8.320 0.770 -4.249 0.50 0.00 O ATOM 620 CB VAL A 41 9.855 2.962 -3.243 0.50 0.00 C ATOM 621 CG1 VAL A 41 9.183 3.303 -4.578 0.50 0.00 C ATOM 622 CG2 VAL A 41 8.837 3.104 -2.109 0.50 0.00 C ATOM 0 H VAL A 41 11.119 2.119 -5.191 0.50 0.00 H new ATOM 0 HA VAL A 41 10.853 1.251 -2.332 0.50 0.00 H new ATOM 0 HB VAL A 41 10.687 3.646 -3.076 0.50 0.00 H new ATOM 0 HG11 VAL A 41 8.809 4.327 -4.546 0.50 0.00 H new ATOM 0 HG12 VAL A 41 9.909 3.206 -5.386 0.50 0.00 H new ATOM 0 HG13 VAL A 41 8.352 2.619 -4.752 0.50 0.00 H new ATOM 0 HG21 VAL A 41 8.460 4.127 -2.084 0.50 0.00 H new ATOM 0 HG22 VAL A 41 8.008 2.416 -2.276 0.50 0.00 H new ATOM 0 HG23 VAL A 41 9.316 2.871 -1.158 0.50 0.00 H new ATOM 632 N ILE A 42 9.335 -0.625 -2.887 0.50 0.00 N ATOM 633 CA ILE A 42 8.285 -1.667 -3.068 0.50 0.00 C ATOM 634 C ILE A 42 7.199 -1.548 -1.990 0.50 0.00 C ATOM 635 O ILE A 42 7.442 -1.804 -0.828 0.50 0.00 O ATOM 636 CB ILE A 42 9.049 -2.986 -2.919 0.50 0.00 C ATOM 637 CG1 ILE A 42 10.002 -3.168 -4.108 0.50 0.00 C ATOM 638 CG2 ILE A 42 8.066 -4.153 -2.864 0.50 0.00 C ATOM 639 CD1 ILE A 42 9.213 -3.147 -5.420 0.50 0.00 C ATOM 0 H ILE A 42 10.094 -0.885 -2.257 0.50 0.00 H new ATOM 0 HA ILE A 42 7.770 -1.579 -4.025 0.50 0.00 H new ATOM 0 HB ILE A 42 9.626 -2.962 -1.994 0.50 0.00 H new ATOM 0 HG12 ILE A 42 10.749 -2.374 -4.111 0.50 0.00 H new ATOM 0 HG13 ILE A 42 10.540 -4.111 -4.013 0.50 0.00 H new ATOM 0 HG21 ILE A 42 8.617 -5.088 -2.758 0.50 0.00 H new ATOM 0 HG22 ILE A 42 7.398 -4.026 -2.012 0.50 0.00 H new ATOM 0 HG23 ILE A 42 7.480 -4.179 -3.783 0.50 0.00 H new ATOM 0 HD11 ILE A 42 9.897 -3.277 -6.258 0.50 0.00 H new ATOM 0 HD12 ILE A 42 8.483 -3.957 -5.419 0.50 0.00 H new ATOM 0 HD13 ILE A 42 8.696 -2.193 -5.518 0.50 0.00 H new ATOM 651 N TRP A 43 5.998 -1.185 -2.370 0.50 0.00 N ATOM 652 CA TRP A 43 4.895 -1.076 -1.366 0.50 0.00 C ATOM 653 C TRP A 43 4.434 -2.478 -0.957 0.50 0.00 C ATOM 654 O TRP A 43 4.191 -3.326 -1.793 0.50 0.00 O ATOM 655 CB TRP A 43 3.758 -0.337 -2.080 0.50 0.00 C ATOM 656 CG TRP A 43 4.137 1.091 -2.303 0.50 0.00 C ATOM 657 CD1 TRP A 43 4.478 1.622 -3.499 0.50 0.00 C ATOM 658 CD2 TRP A 43 4.217 2.179 -1.333 0.50 0.00 C ATOM 659 NE1 TRP A 43 4.766 2.963 -3.328 0.50 0.00 N ATOM 660 CE2 TRP A 43 4.622 3.353 -2.012 0.50 0.00 C ATOM 661 CE3 TRP A 43 3.985 2.263 0.053 0.50 0.00 C ATOM 662 CZ2 TRP A 43 4.791 4.564 -1.342 0.50 0.00 C ATOM 663 CZ3 TRP A 43 4.157 3.476 0.731 0.50 0.00 C ATOM 664 CH2 TRP A 43 4.561 4.626 0.037 0.50 0.00 C ATOM 0 H TRP A 43 5.735 -0.960 -3.329 0.50 0.00 H new ATOM 0 HA TRP A 43 5.211 -0.552 -0.464 0.50 0.00 H new ATOM 0 HB2 TRP A 43 3.543 -0.818 -3.034 0.50 0.00 H new ATOM 0 HB3 TRP A 43 2.847 -0.391 -1.484 0.50 0.00 H new ATOM 0 HD1 TRP A 43 4.519 1.086 -4.435 0.50 0.00 H new ATOM 0 HE1 TRP A 43 5.050 3.588 -4.082 0.50 0.00 H new ATOM 0 HE3 TRP A 43 3.672 1.385 0.598 0.50 0.00 H new ATOM 0 HZ2 TRP A 43 5.097 5.447 -1.883 0.50 0.00 H new ATOM 0 HZ3 TRP A 43 3.977 3.526 1.795 0.50 0.00 H new ATOM 0 HH2 TRP A 43 4.694 5.558 0.566 0.50 0.00 H new ATOM 675 N GLN A 44 4.307 -2.731 0.318 0.50 0.00 N ATOM 676 CA GLN A 44 3.859 -4.083 0.768 0.50 0.00 C ATOM 677 C GLN A 44 2.663 -3.958 1.715 0.50 0.00 C ATOM 678 O GLN A 44 2.428 -2.920 2.301 0.50 0.00 O ATOM 679 CB GLN A 44 5.062 -4.681 1.497 0.50 0.00 C ATOM 680 CG GLN A 44 5.025 -6.207 1.375 0.50 0.00 C ATOM 681 CD GLN A 44 6.240 -6.805 2.084 0.50 0.00 C ATOM 682 OE1 GLN A 44 6.135 -7.282 3.198 0.50 0.00 O ATOM 683 NE2 GLN A 44 7.398 -6.803 1.483 0.50 0.00 N ATOM 0 H GLN A 44 4.493 -2.063 1.066 0.50 0.00 H new ATOM 0 HA GLN A 44 3.538 -4.708 -0.066 0.50 0.00 H new ATOM 0 HB2 GLN A 44 5.988 -4.294 1.072 0.50 0.00 H new ATOM 0 HB3 GLN A 44 5.047 -4.389 2.547 0.50 0.00 H new ATOM 0 HG2 GLN A 44 4.106 -6.595 1.815 0.50 0.00 H new ATOM 0 HG3 GLN A 44 5.024 -6.499 0.325 0.50 0.00 H new ATOM 0 HE21 GLN A 44 7.487 -6.403 0.549 0.50 0.00 H new ATOM 0 HE22 GLN A 44 8.214 -7.201 1.947 0.50 0.00 H new ATOM 692 N LYS A 45 1.906 -5.012 1.867 0.50 0.00 N ATOM 693 CA LYS A 45 0.724 -4.963 2.773 0.50 0.00 C ATOM 694 C LYS A 45 0.974 -5.829 4.013 0.50 0.00 C ATOM 695 O LYS A 45 1.181 -7.023 3.915 0.50 0.00 O ATOM 696 CB LYS A 45 -0.431 -5.528 1.944 0.50 0.00 C ATOM 697 CG LYS A 45 -1.722 -5.496 2.765 0.50 0.00 C ATOM 698 CD LYS A 45 -2.689 -6.557 2.234 0.50 0.00 C ATOM 699 CE LYS A 45 -3.924 -6.621 3.136 0.50 0.00 C ATOM 700 NZ LYS A 45 -4.866 -5.619 2.567 0.50 0.00 N ATOM 0 H LYS A 45 2.057 -5.907 1.401 0.50 0.00 H new ATOM 0 HA LYS A 45 0.514 -3.954 3.129 0.50 0.00 H new ATOM 0 HB2 LYS A 45 -0.555 -4.945 1.031 0.50 0.00 H new ATOM 0 HB3 LYS A 45 -0.207 -6.551 1.641 0.50 0.00 H new ATOM 0 HG2 LYS A 45 -1.502 -5.682 3.816 0.50 0.00 H new ATOM 0 HG3 LYS A 45 -2.180 -4.509 2.705 0.50 0.00 H new ATOM 0 HD2 LYS A 45 -2.984 -6.317 1.213 0.50 0.00 H new ATOM 0 HD3 LYS A 45 -2.197 -7.529 2.203 0.50 0.00 H new ATOM 0 HE2 LYS A 45 -4.362 -7.619 3.136 0.50 0.00 H new ATOM 0 HE3 LYS A 45 -3.671 -6.383 4.169 0.50 0.00 H new ATOM 0 HZ1 LYS A 45 -5.739 -5.603 3.132 0.50 0.00 H new ATOM 0 HZ2 LYS A 45 -4.425 -4.678 2.586 0.50 0.00 H new ATOM 0 HZ3 LYS A 45 -5.094 -5.875 1.585 0.50 0.00 H new ATOM 899 N PRO A 59 23.786 -22.075 10.914 0.50 0.00 N ATOM 900 CA PRO A 59 24.838 -21.486 10.049 0.50 0.00 C ATOM 901 C PRO A 59 25.176 -22.435 8.895 0.50 0.00 C ATOM 902 O PRO A 59 24.879 -23.612 8.942 0.50 0.00 O ATOM 903 CB PRO A 59 26.030 -21.329 10.991 0.50 0.00 C ATOM 904 CG PRO A 59 25.811 -22.346 12.065 0.50 0.00 C ATOM 905 CD PRO A 59 24.323 -22.532 12.202 0.50 0.00 C ATOM 0 HA PRO A 59 24.537 -20.545 9.589 0.50 0.00 H new ATOM 0 HB2 PRO A 59 26.971 -21.503 10.469 0.50 0.00 H new ATOM 0 HB3 PRO A 59 26.076 -20.322 11.405 0.50 0.00 H new ATOM 0 HG2 PRO A 59 26.295 -23.288 11.808 0.50 0.00 H new ATOM 0 HG3 PRO A 59 26.246 -22.011 13.007 0.50 0.00 H new ATOM 0 HD2 PRO A 59 24.067 -23.574 12.394 0.50 0.00 H new ATOM 0 HD3 PRO A 59 23.923 -21.948 13.031 0.50 0.00 H new ATOM 913 N ASP A 60 25.794 -21.929 7.859 0.50 0.00 N ATOM 914 CA ASP A 60 26.153 -22.794 6.693 0.50 0.00 C ATOM 915 C ASP A 60 24.920 -23.540 6.183 0.50 0.00 C ATOM 916 O ASP A 60 24.843 -24.747 6.280 0.50 0.00 O ATOM 917 CB ASP A 60 27.187 -23.791 7.225 0.50 0.00 C ATOM 918 CG ASP A 60 28.401 -23.034 7.765 0.50 0.00 C ATOM 919 OD1 ASP A 60 28.313 -22.523 8.870 0.50 0.00 O ATOM 920 OD2 ASP A 60 29.401 -22.980 7.067 0.50 0.00 O ATOM 0 H ASP A 60 26.067 -20.950 7.769 0.50 0.00 H new ATOM 0 HA ASP A 60 26.542 -22.207 5.862 0.50 0.00 H new ATOM 0 HB2 ASP A 60 26.746 -24.401 8.013 0.50 0.00 H new ATOM 0 HB3 ASP A 60 27.494 -24.471 6.430 0.50 0.00 H new ATOM 925 N ALA A 61 23.959 -22.830 5.641 0.50 0.00 N ATOM 926 CA ALA A 61 22.721 -23.494 5.119 0.50 0.00 C ATOM 927 C ALA A 61 23.082 -24.771 4.347 0.50 0.00 C ATOM 928 O ALA A 61 23.463 -24.709 3.195 0.50 0.00 O ATOM 929 CB ALA A 61 22.089 -22.464 4.183 0.50 0.00 C ATOM 0 H ALA A 61 23.979 -21.815 5.537 0.50 0.00 H new ATOM 0 HA ALA A 61 22.044 -23.792 5.920 0.50 0.00 H new ATOM 0 HB1 ALA A 61 21.173 -22.873 3.757 0.50 0.00 H new ATOM 0 HB2 ALA A 61 21.856 -21.558 4.743 0.50 0.00 H new ATOM 0 HB3 ALA A 61 22.787 -22.225 3.381 0.50 0.00 H new ATOM 935 N PRO A 62 22.969 -25.890 5.018 0.50 0.00 N ATOM 936 CA PRO A 62 23.308 -27.185 4.404 0.50 0.00 C ATOM 937 C PRO A 62 22.069 -27.813 3.758 0.50 0.00 C ATOM 938 O PRO A 62 20.988 -27.775 4.311 0.50 0.00 O ATOM 939 CB PRO A 62 23.781 -28.006 5.600 0.50 0.00 C ATOM 940 CG PRO A 62 23.115 -27.399 6.806 0.50 0.00 C ATOM 941 CD PRO A 62 22.523 -26.067 6.401 0.50 0.00 C ATOM 0 HA PRO A 62 24.051 -27.115 3.610 0.50 0.00 H new ATOM 0 HB2 PRO A 62 23.505 -29.055 5.488 0.50 0.00 H new ATOM 0 HB3 PRO A 62 24.866 -27.970 5.694 0.50 0.00 H new ATOM 0 HG2 PRO A 62 22.336 -28.062 7.184 0.50 0.00 H new ATOM 0 HG3 PRO A 62 23.837 -27.265 7.611 0.50 0.00 H new ATOM 0 HD2 PRO A 62 21.435 -26.075 6.472 0.50 0.00 H new ATOM 0 HD3 PRO A 62 22.879 -25.260 7.042 0.50 0.00 H new ATOM 949 N GLU A 63 22.228 -28.391 2.589 0.50 0.00 N ATOM 950 CA GLU A 63 21.077 -29.036 1.873 0.50 0.00 C ATOM 951 C GLU A 63 19.768 -28.272 2.108 0.50 0.00 C ATOM 952 O GLU A 63 18.749 -28.850 2.435 0.50 0.00 O ATOM 953 CB GLU A 63 20.991 -30.460 2.438 0.50 0.00 C ATOM 954 CG GLU A 63 20.677 -30.420 3.938 0.50 0.00 C ATOM 955 CD GLU A 63 20.212 -31.802 4.399 0.50 0.00 C ATOM 956 OE1 GLU A 63 21.060 -32.657 4.597 0.50 0.00 O ATOM 957 OE2 GLU A 63 19.014 -31.983 4.545 0.50 0.00 O ATOM 0 H GLU A 63 23.118 -28.444 2.094 0.50 0.00 H new ATOM 0 HA GLU A 63 21.231 -29.036 0.794 0.50 0.00 H new ATOM 0 HB2 GLU A 63 20.218 -31.021 1.913 0.50 0.00 H new ATOM 0 HB3 GLU A 63 21.933 -30.982 2.271 0.50 0.00 H new ATOM 0 HG2 GLU A 63 21.562 -30.117 4.498 0.50 0.00 H new ATOM 0 HG3 GLU A 63 19.904 -29.679 4.139 0.50 0.00 H new ATOM 964 N ASP A 64 19.791 -26.977 1.939 0.50 0.00 N ATOM 965 CA ASP A 64 18.551 -26.173 2.150 0.50 0.00 C ATOM 966 C ASP A 64 17.520 -26.500 1.066 0.50 0.00 C ATOM 967 O ASP A 64 17.673 -26.126 -0.081 0.50 0.00 O ATOM 968 CB ASP A 64 18.998 -24.714 2.042 0.50 0.00 C ATOM 969 CG ASP A 64 17.858 -23.797 2.488 0.50 0.00 C ATOM 970 OD1 ASP A 64 17.340 -24.011 3.572 0.50 0.00 O ATOM 971 OD2 ASP A 64 17.521 -22.894 1.738 0.50 0.00 O ATOM 0 H ASP A 64 20.614 -26.441 1.664 0.50 0.00 H new ATOM 0 HA ASP A 64 18.081 -26.384 3.111 0.50 0.00 H new ATOM 0 HB2 ASP A 64 19.878 -24.545 2.662 0.50 0.00 H new ATOM 0 HB3 ASP A 64 19.283 -24.485 1.015 0.50 0.00 H new ATOM 976 N THR A 65 16.474 -27.197 1.421 0.50 0.00 N ATOM 977 CA THR A 65 15.434 -27.552 0.411 0.50 0.00 C ATOM 978 C THR A 65 14.769 -26.284 -0.134 0.50 0.00 C ATOM 979 O THR A 65 14.368 -26.226 -1.279 0.50 0.00 O ATOM 980 CB THR A 65 14.416 -28.407 1.169 0.50 0.00 C ATOM 981 OG1 THR A 65 14.090 -27.773 2.399 0.50 0.00 O ATOM 982 CG2 THR A 65 15.013 -29.787 1.446 0.50 0.00 C ATOM 0 H THR A 65 16.294 -27.536 2.366 0.50 0.00 H new ATOM 0 HA THR A 65 15.855 -28.082 -0.443 0.50 0.00 H new ATOM 0 HB THR A 65 13.514 -28.518 0.567 0.50 0.00 H new ATOM 0 HG1 THR A 65 14.581 -28.204 3.129 0.50 0.00 H new ATOM 0 HG21 THR A 65 14.288 -30.396 1.986 0.50 0.00 H new ATOM 0 HG22 THR A 65 15.262 -30.272 0.502 0.50 0.00 H new ATOM 0 HG23 THR A 65 15.915 -29.679 2.048 0.50 0.00 H new ATOM 990 N GLY A 66 14.652 -25.268 0.681 0.50 0.00 N ATOM 991 CA GLY A 66 14.013 -24.004 0.212 0.50 0.00 C ATOM 992 C GLY A 66 12.558 -24.278 -0.173 0.50 0.00 C ATOM 993 O GLY A 66 11.905 -25.128 0.402 0.50 0.00 O ATOM 0 H GLY A 66 14.971 -25.259 1.650 0.50 0.00 H new ATOM 0 HA2 GLY A 66 14.056 -23.249 0.997 0.50 0.00 H new ATOM 0 HA3 GLY A 66 14.557 -23.605 -0.644 0.50 0.00 H new ATOM 997 N ASP A 67 12.045 -23.566 -1.140 0.50 0.00 N ATOM 998 CA ASP A 67 10.631 -23.786 -1.563 0.50 0.00 C ATOM 999 C ASP A 67 10.350 -23.046 -2.872 0.50 0.00 C ATOM 1000 O ASP A 67 11.066 -22.136 -3.248 0.50 0.00 O ATOM 1001 CB ASP A 67 9.782 -23.211 -0.429 0.50 0.00 C ATOM 1002 CG ASP A 67 8.306 -23.516 -0.689 0.50 0.00 C ATOM 1003 OD1 ASP A 67 8.007 -24.648 -1.035 0.50 0.00 O ATOM 1004 OD2 ASP A 67 7.499 -22.614 -0.540 0.50 0.00 O ATOM 0 H ASP A 67 12.544 -22.841 -1.656 0.50 0.00 H new ATOM 0 HA ASP A 67 10.413 -24.839 -1.740 0.50 0.00 H new ATOM 0 HB2 ASP A 67 10.090 -23.641 0.524 0.50 0.00 H new ATOM 0 HB3 ASP A 67 9.934 -22.134 -0.357 0.50 0.00 H new ATOM 1303 N ARG A 86 -2.862 1.130 -9.315 0.50 0.00 N ATOM 1304 CA ARG A 86 -1.887 1.894 -10.146 0.50 0.00 C ATOM 1305 C ARG A 86 -0.784 2.477 -9.259 0.50 0.00 C ATOM 1306 O ARG A 86 -0.929 3.542 -8.692 0.50 0.00 O ATOM 1307 CB ARG A 86 -2.708 3.012 -10.794 0.50 0.00 C ATOM 1308 CG ARG A 86 -1.803 3.858 -11.692 0.50 0.00 C ATOM 1309 CD ARG A 86 -1.474 3.078 -12.967 0.50 0.00 C ATOM 1310 NE ARG A 86 -0.165 3.624 -13.425 0.50 0.00 N ATOM 1311 CZ ARG A 86 0.548 2.964 -14.297 0.50 0.00 C ATOM 1312 NH1 ARG A 86 1.527 2.201 -13.898 0.50 0.00 N ATOM 1313 NH2 ARG A 86 0.280 3.069 -15.571 0.50 0.00 N ATOM 0 HA ARG A 86 -1.396 1.268 -10.891 0.50 0.00 H new ATOM 0 HB2 ARG A 86 -3.523 2.586 -11.379 0.50 0.00 H new ATOM 0 HB3 ARG A 86 -3.161 3.637 -10.025 0.50 0.00 H new ATOM 0 HG2 ARG A 86 -2.298 4.796 -11.944 0.50 0.00 H new ATOM 0 HG3 ARG A 86 -0.885 4.114 -11.163 0.50 0.00 H new ATOM 0 HD2 ARG A 86 -1.408 2.008 -12.769 0.50 0.00 H new ATOM 0 HD3 ARG A 86 -2.246 3.215 -13.724 0.50 0.00 H new ATOM 0 HE ARG A 86 0.174 4.513 -13.057 0.50 0.00 H new ATOM 0 HH11 ARG A 86 1.737 2.119 -12.903 0.50 0.00 H new ATOM 0 HH12 ARG A 86 2.083 1.686 -14.581 0.50 0.00 H new ATOM 0 HH21 ARG A 86 -0.486 3.666 -15.884 0.50 0.00 H new ATOM 0 HH22 ARG A 86 0.836 2.554 -16.253 0.50 0.00 H new ATOM 1327 N VAL A 87 0.316 1.786 -9.136 0.50 0.00 N ATOM 1328 CA VAL A 87 1.431 2.296 -8.285 0.50 0.00 C ATOM 1329 C VAL A 87 2.673 2.555 -9.142 0.50 0.00 C ATOM 1330 O VAL A 87 3.124 1.694 -9.873 0.50 0.00 O ATOM 1331 CB VAL A 87 1.699 1.181 -7.271 0.50 0.00 C ATOM 1332 CG1 VAL A 87 2.788 1.630 -6.295 0.50 0.00 C ATOM 1333 CG2 VAL A 87 0.414 0.871 -6.495 0.50 0.00 C ATOM 0 H VAL A 87 0.492 0.889 -9.588 0.50 0.00 H new ATOM 0 HA VAL A 87 1.181 3.238 -7.796 0.50 0.00 H new ATOM 0 HB VAL A 87 2.028 0.285 -7.798 0.50 0.00 H new ATOM 0 HG11 VAL A 87 2.979 0.836 -5.573 0.50 0.00 H new ATOM 0 HG12 VAL A 87 3.703 1.847 -6.846 0.50 0.00 H new ATOM 0 HG13 VAL A 87 2.459 2.527 -5.770 0.50 0.00 H new ATOM 0 HG21 VAL A 87 0.607 0.077 -5.774 0.50 0.00 H new ATOM 0 HG22 VAL A 87 0.082 1.766 -5.969 0.50 0.00 H new ATOM 0 HG23 VAL A 87 -0.362 0.549 -7.190 0.50 0.00 H new ATOM 1343 N GLU A 88 3.229 3.734 -9.057 0.50 0.00 N ATOM 1344 CA GLU A 88 4.444 4.049 -9.866 0.50 0.00 C ATOM 1345 C GLU A 88 5.378 4.975 -9.083 0.50 0.00 C ATOM 1346 O GLU A 88 4.941 5.845 -8.357 0.50 0.00 O ATOM 1347 CB GLU A 88 3.915 4.755 -11.115 0.50 0.00 C ATOM 1348 CG GLU A 88 5.073 5.017 -12.081 0.50 0.00 C ATOM 1349 CD GLU A 88 4.522 5.516 -13.417 0.50 0.00 C ATOM 1350 OE1 GLU A 88 4.202 6.690 -13.504 0.50 0.00 O ATOM 1351 OE2 GLU A 88 4.429 4.715 -14.333 0.50 0.00 O ATOM 0 H GLU A 88 2.895 4.493 -8.463 0.50 0.00 H new ATOM 0 HA GLU A 88 5.018 3.156 -10.113 0.50 0.00 H new ATOM 0 HB2 GLU A 88 3.155 4.141 -11.599 0.50 0.00 H new ATOM 0 HB3 GLU A 88 3.437 5.695 -10.840 0.50 0.00 H new ATOM 0 HG2 GLU A 88 5.753 5.756 -11.658 0.50 0.00 H new ATOM 0 HG3 GLU A 88 5.648 4.104 -12.232 0.50 0.00 H new ATOM 1358 N THR A 89 6.663 4.792 -9.228 0.50 0.00 N ATOM 1359 CA THR A 89 7.632 5.660 -8.495 0.50 0.00 C ATOM 1360 C THR A 89 8.320 6.618 -9.471 0.50 0.00 C ATOM 1361 O THR A 89 8.549 6.290 -10.619 0.50 0.00 O ATOM 1362 CB THR A 89 8.648 4.691 -7.887 0.50 0.00 C ATOM 1363 OG1 THR A 89 7.978 3.792 -7.016 0.50 0.00 O ATOM 1364 CG2 THR A 89 9.702 5.474 -7.102 0.50 0.00 C ATOM 0 H THR A 89 7.085 4.079 -9.823 0.50 0.00 H new ATOM 0 HA THR A 89 7.149 6.273 -7.734 0.50 0.00 H new ATOM 0 HB THR A 89 9.137 4.131 -8.684 0.50 0.00 H new ATOM 0 HG1 THR A 89 8.352 2.892 -7.124 0.50 0.00 H new ATOM 0 HG21 THR A 89 10.424 4.781 -6.670 0.50 0.00 H new ATOM 0 HG22 THR A 89 10.217 6.163 -7.771 0.50 0.00 H new ATOM 0 HG23 THR A 89 9.218 6.037 -6.304 0.50 0.00 H new ATOM 1372 N THR A 90 8.655 7.799 -9.022 0.50 0.00 N ATOM 1373 CA THR A 90 9.332 8.775 -9.926 0.50 0.00 C ATOM 1374 C THR A 90 10.832 8.825 -9.618 0.50 0.00 C ATOM 1375 O THR A 90 11.354 7.999 -8.897 0.50 0.00 O ATOM 1376 CB THR A 90 8.675 10.127 -9.634 0.50 0.00 C ATOM 1377 OG1 THR A 90 8.275 10.182 -8.271 0.50 0.00 O ATOM 1378 CG2 THR A 90 7.453 10.307 -10.538 0.50 0.00 C ATOM 0 H THR A 90 8.490 8.129 -8.071 0.50 0.00 H new ATOM 0 HA THR A 90 9.230 8.500 -10.976 0.50 0.00 H new ATOM 0 HB THR A 90 9.390 10.926 -9.829 0.50 0.00 H new ATOM 0 HG1 THR A 90 7.403 10.624 -8.204 0.50 0.00 H new ATOM 0 HG21 THR A 90 6.985 11.269 -10.330 0.50 0.00 H new ATOM 0 HG22 THR A 90 7.765 10.273 -11.582 0.50 0.00 H new ATOM 0 HG23 THR A 90 6.738 9.507 -10.346 0.50 0.00 H new ATOM 1386 N LYS A 91 11.525 9.786 -10.169 0.50 0.00 N ATOM 1387 CA LYS A 91 12.997 9.896 -9.928 0.50 0.00 C ATOM 1388 C LYS A 91 13.322 9.817 -8.432 0.50 0.00 C ATOM 1389 O LYS A 91 14.288 9.197 -8.035 0.50 0.00 O ATOM 1390 CB LYS A 91 13.387 11.265 -10.486 0.50 0.00 C ATOM 1391 CG LYS A 91 14.910 11.418 -10.444 0.50 0.00 C ATOM 1392 CD LYS A 91 15.508 10.946 -11.772 0.50 0.00 C ATOM 1393 CE LYS A 91 15.769 12.154 -12.675 0.50 0.00 C ATOM 1394 NZ LYS A 91 15.804 11.600 -14.056 0.50 0.00 N ATOM 0 H LYS A 91 11.134 10.504 -10.779 0.50 0.00 H new ATOM 0 HA LYS A 91 13.544 9.082 -10.404 0.50 0.00 H new ATOM 0 HB2 LYS A 91 13.029 11.368 -11.510 0.50 0.00 H new ATOM 0 HB3 LYS A 91 12.915 12.055 -9.902 0.50 0.00 H new ATOM 0 HG2 LYS A 91 15.177 12.459 -10.263 0.50 0.00 H new ATOM 0 HG3 LYS A 91 15.322 10.835 -9.620 0.50 0.00 H new ATOM 0 HD2 LYS A 91 16.438 10.406 -11.592 0.50 0.00 H new ATOM 0 HD3 LYS A 91 14.826 10.252 -12.264 0.50 0.00 H new ATOM 0 HE2 LYS A 91 14.984 12.903 -12.570 0.50 0.00 H new ATOM 0 HE3 LYS A 91 16.710 12.641 -12.421 0.50 0.00 H new ATOM 0 HZ1 LYS A 91 15.979 12.369 -14.734 0.50 0.00 H new ATOM 0 HZ2 LYS A 91 16.565 10.895 -14.128 0.50 0.00 H new ATOM 0 HZ3 LYS A 91 14.892 11.149 -14.272 0.50 0.00 H new ATOM 1408 N ASP A 92 12.532 10.442 -7.599 0.50 0.00 N ATOM 1409 CA ASP A 92 12.818 10.398 -6.134 0.50 0.00 C ATOM 1410 C ASP A 92 11.530 10.571 -5.325 0.50 0.00 C ATOM 1411 O ASP A 92 11.469 11.361 -4.403 0.50 0.00 O ATOM 1412 CB ASP A 92 13.767 11.571 -5.883 0.50 0.00 C ATOM 1413 CG ASP A 92 15.208 11.123 -6.138 0.50 0.00 C ATOM 1414 OD1 ASP A 92 15.520 9.988 -5.821 0.50 0.00 O ATOM 1415 OD2 ASP A 92 15.975 11.925 -6.645 0.50 0.00 O ATOM 0 H ASP A 92 11.706 10.978 -7.867 0.50 0.00 H new ATOM 0 HA ASP A 92 13.251 9.444 -5.831 0.50 0.00 H new ATOM 0 HB2 ASP A 92 13.513 12.405 -6.537 0.50 0.00 H new ATOM 0 HB3 ASP A 92 13.661 11.926 -4.858 0.50 0.00 H new ATOM 1420 N ARG A 93 10.500 9.838 -5.656 0.50 0.00 N ATOM 1421 CA ARG A 93 9.222 9.964 -4.896 0.50 0.00 C ATOM 1422 C ARG A 93 8.272 8.819 -5.255 0.50 0.00 C ATOM 1423 O ARG A 93 7.674 8.802 -6.314 0.50 0.00 O ATOM 1424 CB ARG A 93 8.633 11.308 -5.327 0.50 0.00 C ATOM 1425 CG ARG A 93 7.377 11.603 -4.504 0.50 0.00 C ATOM 1426 CD ARG A 93 6.979 13.068 -4.688 0.50 0.00 C ATOM 1427 NE ARG A 93 7.659 13.794 -3.579 0.50 0.00 N ATOM 1428 CZ ARG A 93 7.778 15.093 -3.627 0.50 0.00 C ATOM 1429 NH1 ARG A 93 8.346 15.659 -4.655 0.50 0.00 N ATOM 1430 NH2 ARG A 93 7.327 15.825 -2.645 0.50 0.00 N ATOM 0 H ARG A 93 10.488 9.159 -6.417 0.50 0.00 H new ATOM 0 HA ARG A 93 9.379 9.915 -3.818 0.50 0.00 H new ATOM 0 HB2 ARG A 93 9.368 12.101 -5.186 0.50 0.00 H new ATOM 0 HB3 ARG A 93 8.388 11.286 -6.389 0.50 0.00 H new ATOM 0 HG2 ARG A 93 6.562 10.951 -4.819 0.50 0.00 H new ATOM 0 HG3 ARG A 93 7.563 11.395 -3.450 0.50 0.00 H new ATOM 0 HD2 ARG A 93 7.298 13.444 -5.660 0.50 0.00 H new ATOM 0 HD3 ARG A 93 5.897 13.193 -4.637 0.50 0.00 H new ATOM 0 HE ARG A 93 8.031 13.276 -2.783 0.50 0.00 H new ATOM 0 HH11 ARG A 93 8.698 15.087 -5.423 0.50 0.00 H new ATOM 0 HH12 ARG A 93 8.439 16.674 -4.692 0.50 0.00 H new ATOM 0 HH21 ARG A 93 6.882 15.382 -1.841 0.50 0.00 H new ATOM 0 HH22 ARG A 93 7.419 16.840 -2.681 0.50 0.00 H new ATOM 1444 N SER A 94 8.127 7.862 -4.378 0.50 0.00 N ATOM 1445 CA SER A 94 7.216 6.716 -4.661 0.50 0.00 C ATOM 1446 C SER A 94 5.757 7.157 -4.540 0.50 0.00 C ATOM 1447 O SER A 94 5.332 7.652 -3.515 0.50 0.00 O ATOM 1448 CB SER A 94 7.546 5.673 -3.596 0.50 0.00 C ATOM 1449 OG SER A 94 7.164 6.166 -2.320 0.50 0.00 O ATOM 0 H SER A 94 8.601 7.825 -3.476 0.50 0.00 H new ATOM 0 HA SER A 94 7.349 6.326 -5.670 0.50 0.00 H new ATOM 0 HB2 SER A 94 7.023 4.741 -3.810 0.50 0.00 H new ATOM 0 HB3 SER A 94 8.613 5.450 -3.608 0.50 0.00 H new ATOM 0 HG SER A 94 6.672 5.471 -1.835 0.50 0.00 H new ATOM 1455 N ILE A 95 4.985 6.979 -5.577 0.50 0.00 N ATOM 1456 CA ILE A 95 3.554 7.388 -5.514 0.50 0.00 C ATOM 1457 C ILE A 95 2.650 6.153 -5.521 0.50 0.00 C ATOM 1458 O ILE A 95 2.753 5.299 -6.381 0.50 0.00 O ATOM 1459 CB ILE A 95 3.325 8.258 -6.768 0.50 0.00 C ATOM 1460 CG1 ILE A 95 2.952 9.679 -6.339 0.50 0.00 C ATOM 1461 CG2 ILE A 95 2.187 7.688 -7.626 0.50 0.00 C ATOM 1462 CD1 ILE A 95 4.191 10.573 -6.390 0.50 0.00 C ATOM 0 H ILE A 95 5.282 6.569 -6.462 0.50 0.00 H new ATOM 0 HA ILE A 95 3.319 7.937 -4.602 0.50 0.00 H new ATOM 0 HB ILE A 95 4.244 8.265 -7.354 0.50 0.00 H new ATOM 0 HG12 ILE A 95 2.178 10.076 -6.995 0.50 0.00 H new ATOM 0 HG13 ILE A 95 2.540 9.669 -5.330 0.50 0.00 H new ATOM 0 HG21 ILE A 95 2.043 8.317 -8.504 0.50 0.00 H new ATOM 0 HG22 ILE A 95 2.441 6.676 -7.942 0.50 0.00 H new ATOM 0 HG23 ILE A 95 1.267 7.665 -7.042 0.50 0.00 H new ATOM 0 HD11 ILE A 95 3.923 11.584 -6.084 0.50 0.00 H new ATOM 0 HD12 ILE A 95 4.952 10.180 -5.716 0.50 0.00 H new ATOM 0 HD13 ILE A 95 4.583 10.594 -7.407 0.50 0.00 H new ATOM 1474 N PHE A 96 1.756 6.064 -4.579 0.50 0.00 N ATOM 1475 CA PHE A 96 0.829 4.903 -4.540 0.50 0.00 C ATOM 1476 C PHE A 96 -0.605 5.406 -4.716 0.50 0.00 C ATOM 1477 O PHE A 96 -1.248 5.827 -3.776 0.50 0.00 O ATOM 1478 CB PHE A 96 1.029 4.276 -3.155 0.50 0.00 C ATOM 1479 CG PHE A 96 0.041 3.148 -2.936 0.50 0.00 C ATOM 1480 CD1 PHE A 96 -0.549 2.496 -4.029 0.50 0.00 C ATOM 1481 CD2 PHE A 96 -0.283 2.752 -1.633 0.50 0.00 C ATOM 1482 CE1 PHE A 96 -1.459 1.454 -3.819 0.50 0.00 C ATOM 1483 CE2 PHE A 96 -1.193 1.708 -1.423 0.50 0.00 C ATOM 1484 CZ PHE A 96 -1.782 1.060 -2.516 0.50 0.00 C ATOM 0 H PHE A 96 1.627 6.747 -3.833 0.50 0.00 H new ATOM 0 HA PHE A 96 1.019 4.176 -5.330 0.50 0.00 H new ATOM 0 HB2 PHE A 96 2.047 3.898 -3.064 0.50 0.00 H new ATOM 0 HB3 PHE A 96 0.900 5.035 -2.383 0.50 0.00 H new ATOM 0 HD1 PHE A 96 -0.300 2.799 -5.035 0.50 0.00 H new ATOM 0 HD2 PHE A 96 0.169 3.252 -0.789 0.50 0.00 H new ATOM 0 HE1 PHE A 96 -1.912 0.954 -4.662 0.50 0.00 H new ATOM 0 HE2 PHE A 96 -1.441 1.402 -0.417 0.50 0.00 H new ATOM 0 HZ PHE A 96 -2.485 0.257 -2.353 0.50 0.00 H new ATOM 1494 N THR A 97 -1.105 5.376 -5.919 0.50 0.00 N ATOM 1495 CA THR A 97 -2.492 5.868 -6.160 0.50 0.00 C ATOM 1496 C THR A 97 -3.351 4.766 -6.784 0.50 0.00 C ATOM 1497 O THR A 97 -3.129 4.344 -7.902 0.50 0.00 O ATOM 1498 CB THR A 97 -2.343 7.062 -7.116 0.50 0.00 C ATOM 1499 OG1 THR A 97 -3.610 7.377 -7.676 0.50 0.00 O ATOM 1500 CG2 THR A 97 -1.358 6.726 -8.241 0.50 0.00 C ATOM 0 H THR A 97 -0.615 5.033 -6.745 0.50 0.00 H new ATOM 0 HA THR A 97 -2.988 6.159 -5.234 0.50 0.00 H new ATOM 0 HB THR A 97 -1.961 7.917 -6.557 0.50 0.00 H new ATOM 0 HG1 THR A 97 -4.304 7.276 -6.992 0.50 0.00 H new ATOM 0 HG21 THR A 97 -1.264 7.582 -8.910 0.50 0.00 H new ATOM 0 HG22 THR A 97 -0.384 6.490 -7.813 0.50 0.00 H new ATOM 0 HG23 THR A 97 -1.725 5.866 -8.802 0.50 0.00 H new ATOM 1508 N VAL A 98 -4.334 4.302 -6.063 0.50 0.00 N ATOM 1509 CA VAL A 98 -5.222 3.228 -6.594 0.50 0.00 C ATOM 1510 C VAL A 98 -6.687 3.636 -6.417 0.50 0.00 C ATOM 1511 O VAL A 98 -7.039 4.322 -5.479 0.50 0.00 O ATOM 1512 CB VAL A 98 -4.892 1.988 -5.757 0.50 0.00 C ATOM 1513 CG1 VAL A 98 -5.149 2.277 -4.275 0.50 0.00 C ATOM 1514 CG2 VAL A 98 -5.772 0.818 -6.204 0.50 0.00 C ATOM 0 H VAL A 98 -4.562 4.623 -5.122 0.50 0.00 H new ATOM 0 HA VAL A 98 -5.069 3.043 -7.657 0.50 0.00 H new ATOM 0 HB VAL A 98 -3.842 1.732 -5.899 0.50 0.00 H new ATOM 0 HG11 VAL A 98 -4.912 1.391 -3.685 0.50 0.00 H new ATOM 0 HG12 VAL A 98 -4.520 3.107 -3.952 0.50 0.00 H new ATOM 0 HG13 VAL A 98 -6.197 2.539 -4.132 0.50 0.00 H new ATOM 0 HG21 VAL A 98 -5.536 -0.063 -5.608 0.50 0.00 H new ATOM 0 HG22 VAL A 98 -6.821 1.079 -6.067 0.50 0.00 H new ATOM 0 HG23 VAL A 98 -5.586 0.604 -7.257 0.50 0.00 H new ATOM 1524 N GLU A 99 -7.543 3.224 -7.314 0.50 0.00 N ATOM 1525 CA GLU A 99 -8.983 3.599 -7.195 0.50 0.00 C ATOM 1526 C GLU A 99 -9.826 2.380 -6.811 0.50 0.00 C ATOM 1527 O GLU A 99 -10.539 1.826 -7.624 0.50 0.00 O ATOM 1528 CB GLU A 99 -9.378 4.115 -8.582 0.50 0.00 C ATOM 1529 CG GLU A 99 -9.127 3.028 -9.633 0.50 0.00 C ATOM 1530 CD GLU A 99 -10.368 2.867 -10.513 0.50 0.00 C ATOM 1531 OE1 GLU A 99 -10.759 3.842 -11.135 0.50 0.00 O ATOM 1532 OE2 GLU A 99 -10.905 1.772 -10.550 0.50 0.00 O ATOM 0 H GLU A 99 -7.309 2.646 -8.121 0.50 0.00 H new ATOM 0 HA GLU A 99 -9.148 4.348 -6.421 0.50 0.00 H new ATOM 0 HB2 GLU A 99 -10.429 4.402 -8.587 0.50 0.00 H new ATOM 0 HB3 GLU A 99 -8.802 5.008 -8.825 0.50 0.00 H new ATOM 0 HG2 GLU A 99 -8.266 3.293 -10.246 0.50 0.00 H new ATOM 0 HG3 GLU A 99 -8.891 2.083 -9.144 0.50 0.00 H new ATOM 1539 N GLY A 100 -9.755 1.966 -5.573 0.50 0.00 N ATOM 1540 CA GLY A 100 -10.559 0.789 -5.135 0.50 0.00 C ATOM 1541 C GLY A 100 -9.629 -0.302 -4.604 0.50 0.00 C ATOM 1542 O GLY A 100 -9.832 -1.474 -4.853 0.50 0.00 O ATOM 0 H GLY A 100 -9.176 2.391 -4.849 0.50 0.00 H new ATOM 0 HA2 GLY A 100 -11.265 1.087 -4.360 0.50 0.00 H new ATOM 0 HA3 GLY A 100 -11.145 0.406 -5.970 0.50 0.00 H new ATOM 1620 N GLU A 106 -7.964 -2.919 4.411 0.50 0.00 N ATOM 1621 CA GLU A 106 -7.005 -1.908 4.976 0.50 0.00 C ATOM 1622 C GLU A 106 -5.983 -2.558 5.929 0.50 0.00 C ATOM 1623 O GLU A 106 -5.464 -3.625 5.659 0.50 0.00 O ATOM 1624 CB GLU A 106 -7.883 -0.893 5.712 0.50 0.00 C ATOM 1625 CG GLU A 106 -8.725 -1.596 6.778 0.50 0.00 C ATOM 1626 CD GLU A 106 -8.755 -0.749 8.052 0.50 0.00 C ATOM 1627 OE1 GLU A 106 -9.193 0.387 7.975 0.50 0.00 O ATOM 1628 OE2 GLU A 106 -8.340 -1.252 9.083 0.50 0.00 O ATOM 0 HA GLU A 106 -6.410 -1.440 4.191 0.50 0.00 H new ATOM 0 HB2 GLU A 106 -7.258 -0.130 6.177 0.50 0.00 H new ATOM 0 HB3 GLU A 106 -8.534 -0.383 5.002 0.50 0.00 H new ATOM 0 HG2 GLU A 106 -9.739 -1.752 6.410 0.50 0.00 H new ATOM 0 HG3 GLU A 106 -8.309 -2.580 6.994 0.50 0.00 H new ATOM 1635 N GLY A 107 -5.688 -1.925 7.034 0.50 0.00 N ATOM 1636 CA GLY A 107 -4.707 -2.508 7.991 0.50 0.00 C ATOM 1637 C GLY A 107 -3.413 -1.696 7.963 0.50 0.00 C ATOM 1638 O GLY A 107 -3.389 -0.533 8.316 0.50 0.00 O ATOM 0 H GLY A 107 -6.086 -1.028 7.314 0.50 0.00 H new ATOM 0 HA2 GLY A 107 -5.124 -2.510 8.998 0.50 0.00 H new ATOM 0 HA3 GLY A 107 -4.502 -3.546 7.729 0.50 0.00 H new ATOM 1642 N VAL A 108 -2.337 -2.303 7.546 0.50 0.00 N ATOM 1643 CA VAL A 108 -1.036 -1.573 7.491 0.50 0.00 C ATOM 1644 C VAL A 108 -0.232 -2.004 6.260 0.50 0.00 C ATOM 1645 O VAL A 108 -0.447 -3.062 5.703 0.50 0.00 O ATOM 1646 CB VAL A 108 -0.309 -1.967 8.779 0.50 0.00 C ATOM 1647 CG1 VAL A 108 1.111 -1.396 8.769 0.50 0.00 C ATOM 1648 CG2 VAL A 108 -1.070 -1.405 9.981 0.50 0.00 C ATOM 0 H VAL A 108 -2.301 -3.275 7.240 0.50 0.00 H new ATOM 0 HA VAL A 108 -1.171 -0.494 7.412 0.50 0.00 H new ATOM 0 HB VAL A 108 -0.260 -3.054 8.847 0.50 0.00 H new ATOM 0 HG11 VAL A 108 1.624 -1.680 9.688 0.50 0.00 H new ATOM 0 HG12 VAL A 108 1.656 -1.792 7.912 0.50 0.00 H new ATOM 0 HG13 VAL A 108 1.066 -0.309 8.699 0.50 0.00 H new ATOM 0 HG21 VAL A 108 -0.555 -1.684 10.900 0.50 0.00 H new ATOM 0 HG22 VAL A 108 -1.117 -0.319 9.906 0.50 0.00 H new ATOM 0 HG23 VAL A 108 -2.081 -1.812 9.994 0.50 0.00 H new ATOM 1658 N TYR A 109 0.700 -1.191 5.843 0.50 0.00 N ATOM 1659 CA TYR A 109 1.535 -1.543 4.657 0.50 0.00 C ATOM 1660 C TYR A 109 3.015 -1.329 4.983 0.50 0.00 C ATOM 1661 O TYR A 109 3.358 -0.600 5.891 0.50 0.00 O ATOM 1662 CB TYR A 109 1.096 -0.581 3.550 0.50 0.00 C ATOM 1663 CG TYR A 109 -0.221 -1.035 2.967 0.50 0.00 C ATOM 1664 CD1 TYR A 109 -1.415 -0.791 3.658 0.50 0.00 C ATOM 1665 CD2 TYR A 109 -0.249 -1.695 1.733 0.50 0.00 C ATOM 1666 CE1 TYR A 109 -2.636 -1.208 3.114 0.50 0.00 C ATOM 1667 CE2 TYR A 109 -1.469 -2.111 1.188 0.50 0.00 C ATOM 1668 CZ TYR A 109 -2.663 -1.867 1.878 0.50 0.00 C ATOM 1669 OH TYR A 109 -3.866 -2.277 1.343 0.50 0.00 O ATOM 0 H TYR A 109 0.921 -0.293 6.274 0.50 0.00 H new ATOM 0 HA TYR A 109 1.410 -2.585 4.362 0.50 0.00 H new ATOM 0 HB2 TYR A 109 0.998 0.428 3.951 0.50 0.00 H new ATOM 0 HB3 TYR A 109 1.855 -0.541 2.769 0.50 0.00 H new ATOM 0 HD1 TYR A 109 -1.394 -0.281 4.610 0.50 0.00 H new ATOM 0 HD2 TYR A 109 0.672 -1.883 1.201 0.50 0.00 H new ATOM 0 HE1 TYR A 109 -3.557 -1.022 3.647 0.50 0.00 H new ATOM 0 HE2 TYR A 109 -1.490 -2.620 0.236 0.50 0.00 H new ATOM 0 HH TYR A 109 -3.708 -2.717 0.481 0.50 0.00 H new ATOM 1679 N THR A 110 3.894 -1.947 4.244 0.50 0.00 N ATOM 1680 CA THR A 110 5.351 -1.761 4.507 0.50 0.00 C ATOM 1681 C THR A 110 6.084 -1.530 3.188 0.50 0.00 C ATOM 1682 O THR A 110 6.298 -2.444 2.416 0.50 0.00 O ATOM 1683 CB THR A 110 5.820 -3.059 5.168 0.50 0.00 C ATOM 1684 OG1 THR A 110 4.828 -3.512 6.080 0.50 0.00 O ATOM 1685 CG2 THR A 110 7.128 -2.801 5.919 0.50 0.00 C ATOM 0 H THR A 110 3.668 -2.572 3.470 0.50 0.00 H new ATOM 0 HA THR A 110 5.550 -0.900 5.145 0.50 0.00 H new ATOM 0 HB THR A 110 5.983 -3.820 4.405 0.50 0.00 H new ATOM 0 HG1 THR A 110 5.127 -4.344 6.502 0.50 0.00 H new ATOM 0 HG21 THR A 110 7.465 -3.724 6.391 0.50 0.00 H new ATOM 0 HG22 THR A 110 7.887 -2.454 5.218 0.50 0.00 H new ATOM 0 HG23 THR A 110 6.965 -2.041 6.683 0.50 0.00 H new ATOM 1693 N VAL A 111 6.459 -0.311 2.918 0.50 0.00 N ATOM 1694 CA VAL A 111 7.167 -0.013 1.641 0.50 0.00 C ATOM 1695 C VAL A 111 8.682 -0.162 1.823 0.50 0.00 C ATOM 1696 O VAL A 111 9.251 0.327 2.779 0.50 0.00 O ATOM 1697 CB VAL A 111 6.769 1.429 1.310 0.50 0.00 C ATOM 1698 CG1 VAL A 111 7.452 2.406 2.264 0.50 0.00 C ATOM 1699 CG2 VAL A 111 7.182 1.757 -0.121 0.50 0.00 C ATOM 0 H VAL A 111 6.306 0.493 3.527 0.50 0.00 H new ATOM 0 HA VAL A 111 6.898 -0.696 0.835 0.50 0.00 H new ATOM 0 HB VAL A 111 5.689 1.524 1.418 0.50 0.00 H new ATOM 0 HG11 VAL A 111 7.157 3.425 2.014 0.50 0.00 H new ATOM 0 HG12 VAL A 111 7.153 2.183 3.288 0.50 0.00 H new ATOM 0 HG13 VAL A 111 8.534 2.308 2.172 0.50 0.00 H new ATOM 0 HG21 VAL A 111 6.898 2.783 -0.355 0.50 0.00 H new ATOM 0 HG22 VAL A 111 8.262 1.647 -0.222 0.50 0.00 H new ATOM 0 HG23 VAL A 111 6.682 1.076 -0.809 0.50 0.00 H new ATOM 1709 N THR A 112 9.337 -0.850 0.922 0.50 0.00 N ATOM 1710 CA THR A 112 10.811 -1.045 1.058 0.50 0.00 C ATOM 1711 C THR A 112 11.569 -0.314 -0.057 0.50 0.00 C ATOM 1712 O THR A 112 11.340 -0.542 -1.230 0.50 0.00 O ATOM 1713 CB THR A 112 11.014 -2.557 0.941 0.50 0.00 C ATOM 1714 OG1 THR A 112 10.315 -3.208 1.992 0.50 0.00 O ATOM 1715 CG2 THR A 112 12.505 -2.887 1.038 0.50 0.00 C ATOM 0 H THR A 112 8.915 -1.284 0.101 0.50 0.00 H new ATOM 0 HA THR A 112 11.190 -0.645 1.998 0.50 0.00 H new ATOM 0 HB THR A 112 10.632 -2.900 -0.020 0.50 0.00 H new ATOM 0 HG1 THR A 112 10.442 -4.177 1.918 0.50 0.00 H new ATOM 0 HG21 THR A 112 12.645 -3.965 0.954 0.50 0.00 H new ATOM 0 HG22 THR A 112 13.041 -2.387 0.231 0.50 0.00 H new ATOM 0 HG23 THR A 112 12.892 -2.544 1.998 0.50 0.00 H new ATOM 1723 N VAL A 113 12.485 0.547 0.304 0.50 0.00 N ATOM 1724 CA VAL A 113 13.280 1.284 -0.726 0.50 0.00 C ATOM 1725 C VAL A 113 14.646 0.605 -0.892 0.50 0.00 C ATOM 1726 O VAL A 113 15.285 0.245 0.078 0.50 0.00 O ATOM 1727 CB VAL A 113 13.434 2.713 -0.181 0.50 0.00 C ATOM 1728 CG1 VAL A 113 12.059 3.286 0.169 0.50 0.00 C ATOM 1729 CG2 VAL A 113 14.309 2.702 1.076 0.50 0.00 C ATOM 0 H VAL A 113 12.718 0.773 1.271 0.50 0.00 H new ATOM 0 HA VAL A 113 12.800 1.290 -1.705 0.50 0.00 H new ATOM 0 HB VAL A 113 13.904 3.332 -0.945 0.50 0.00 H new ATOM 0 HG11 VAL A 113 12.174 4.299 0.555 0.50 0.00 H new ATOM 0 HG12 VAL A 113 11.435 3.307 -0.725 0.50 0.00 H new ATOM 0 HG13 VAL A 113 11.586 2.661 0.927 0.50 0.00 H new ATOM 0 HG21 VAL A 113 14.413 3.718 1.456 0.50 0.00 H new ATOM 0 HG22 VAL A 113 13.844 2.076 1.838 0.50 0.00 H new ATOM 0 HG23 VAL A 113 15.294 2.304 0.831 0.50 0.00 H new ATOM 1739 N LYS A 114 15.097 0.411 -2.106 0.50 0.00 N ATOM 1740 CA LYS A 114 16.417 -0.263 -2.302 0.50 0.00 C ATOM 1741 C LYS A 114 17.227 0.407 -3.420 0.50 0.00 C ATOM 1742 O LYS A 114 16.710 1.170 -4.211 0.50 0.00 O ATOM 1743 CB LYS A 114 16.066 -1.700 -2.690 0.50 0.00 C ATOM 1744 CG LYS A 114 16.184 -2.607 -1.464 0.50 0.00 C ATOM 1745 CD LYS A 114 16.020 -4.067 -1.889 0.50 0.00 C ATOM 1746 CE LYS A 114 14.531 -4.404 -2.000 0.50 0.00 C ATOM 1747 NZ LYS A 114 14.425 -5.826 -1.569 0.50 0.00 N ATOM 0 H LYS A 114 14.615 0.687 -2.961 0.50 0.00 H new ATOM 0 HA LYS A 114 17.033 -0.208 -1.405 0.50 0.00 H new ATOM 0 HB2 LYS A 114 15.053 -1.742 -3.090 0.50 0.00 H new ATOM 0 HB3 LYS A 114 16.734 -2.048 -3.478 0.50 0.00 H new ATOM 0 HG2 LYS A 114 17.152 -2.464 -0.985 0.50 0.00 H new ATOM 0 HG3 LYS A 114 15.423 -2.344 -0.730 0.50 0.00 H new ATOM 0 HD2 LYS A 114 16.514 -4.236 -2.846 0.50 0.00 H new ATOM 0 HD3 LYS A 114 16.499 -4.724 -1.163 0.50 0.00 H new ATOM 0 HE2 LYS A 114 13.930 -3.753 -1.365 0.50 0.00 H new ATOM 0 HE3 LYS A 114 14.172 -4.273 -3.021 0.50 0.00 H new ATOM 0 HZ1 LYS A 114 13.432 -6.130 -1.618 0.50 0.00 H new ATOM 0 HZ2 LYS A 114 15.001 -6.423 -2.196 0.50 0.00 H new ATOM 0 HZ3 LYS A 114 14.768 -5.919 -0.591 0.50 0.00 H new ATOM 1761 N ASN A 115 18.500 0.111 -3.483 0.50 0.00 N ATOM 1762 CA ASN A 115 19.377 0.703 -4.540 0.50 0.00 C ATOM 1763 C ASN A 115 20.767 0.053 -4.471 0.50 0.00 C ATOM 1764 O ASN A 115 21.009 -0.788 -3.629 0.50 0.00 O ATOM 1765 CB ASN A 115 19.455 2.197 -4.214 0.50 0.00 C ATOM 1766 CG ASN A 115 18.848 3.010 -5.360 0.50 0.00 C ATOM 1767 OD1 ASN A 115 18.776 2.545 -6.481 0.50 0.00 O ATOM 1768 ND2 ASN A 115 18.405 4.216 -5.126 0.50 0.00 N ATOM 0 H ASN A 115 18.975 -0.523 -2.840 0.50 0.00 H new ATOM 0 HA ASN A 115 18.992 0.539 -5.546 0.50 0.00 H new ATOM 0 HB2 ASN A 115 18.922 2.404 -3.286 0.50 0.00 H new ATOM 0 HB3 ASN A 115 20.493 2.491 -4.057 0.50 0.00 H new ATOM 0 HD21 ASN A 115 17.999 4.766 -5.883 0.50 0.00 H new ATOM 0 HD22 ASN A 115 18.465 4.608 -4.186 0.50 0.00 H new ATOM 1775 N PRO A 116 21.636 0.450 -5.368 0.50 0.00 N ATOM 1776 CA PRO A 116 23.003 -0.131 -5.403 0.50 0.00 C ATOM 1777 C PRO A 116 23.858 0.354 -4.224 0.50 0.00 C ATOM 1778 O PRO A 116 24.968 -0.106 -4.032 0.50 0.00 O ATOM 1779 CB PRO A 116 23.571 0.365 -6.730 0.50 0.00 C ATOM 1780 CG PRO A 116 22.804 1.609 -7.042 0.50 0.00 C ATOM 1781 CD PRO A 116 21.441 1.460 -6.418 0.50 0.00 C ATOM 0 HA PRO A 116 22.993 -1.218 -5.321 0.50 0.00 H new ATOM 0 HB2 PRO A 116 24.639 0.570 -6.650 0.50 0.00 H new ATOM 0 HB3 PRO A 116 23.448 -0.381 -7.515 0.50 0.00 H new ATOM 0 HG2 PRO A 116 23.315 2.486 -6.645 0.50 0.00 H new ATOM 0 HG3 PRO A 116 22.721 1.749 -8.120 0.50 0.00 H new ATOM 0 HD2 PRO A 116 21.087 2.404 -6.003 0.50 0.00 H new ATOM 0 HD3 PRO A 116 20.701 1.137 -7.150 0.50 0.00 H new ATOM 1789 N VAL A 117 23.366 1.272 -3.431 0.50 0.00 N ATOM 1790 CA VAL A 117 24.179 1.757 -2.274 0.50 0.00 C ATOM 1791 C VAL A 117 23.697 1.112 -0.971 0.50 0.00 C ATOM 1792 O VAL A 117 24.483 0.841 -0.085 0.50 0.00 O ATOM 1793 CB VAL A 117 23.987 3.274 -2.239 0.50 0.00 C ATOM 1794 CG1 VAL A 117 24.858 3.869 -1.130 0.50 0.00 C ATOM 1795 CG2 VAL A 117 24.407 3.866 -3.585 0.50 0.00 C ATOM 0 H VAL A 117 22.447 1.703 -3.532 0.50 0.00 H new ATOM 0 HA VAL A 117 25.231 1.494 -2.381 0.50 0.00 H new ATOM 0 HB VAL A 117 22.940 3.507 -2.046 0.50 0.00 H new ATOM 0 HG11 VAL A 117 24.723 4.950 -1.102 0.50 0.00 H new ATOM 0 HG12 VAL A 117 24.567 3.442 -0.170 0.50 0.00 H new ATOM 0 HG13 VAL A 117 25.905 3.639 -1.327 0.50 0.00 H new ATOM 0 HG21 VAL A 117 24.272 4.947 -3.565 0.50 0.00 H new ATOM 0 HG22 VAL A 117 25.455 3.635 -3.773 0.50 0.00 H new ATOM 0 HG23 VAL A 117 23.793 3.438 -4.378 0.50 0.00 H new ATOM 1805 N GLY A 118 22.419 0.857 -0.841 0.50 0.00 N ATOM 1806 CA GLY A 118 21.924 0.223 0.415 0.50 0.00 C ATOM 1807 C GLY A 118 20.429 -0.077 0.296 0.50 0.00 C ATOM 1808 O GLY A 118 19.935 -0.422 -0.760 0.50 0.00 O ATOM 0 H GLY A 118 21.706 1.058 -1.542 0.50 0.00 H new ATOM 0 HA2 GLY A 118 22.474 -0.698 0.608 0.50 0.00 H new ATOM 0 HA3 GLY A 118 22.104 0.885 1.262 0.50 0.00 H new ATOM 1812 N GLU A 119 19.709 0.058 1.376 0.50 0.00 N ATOM 1813 CA GLU A 119 18.242 -0.212 1.344 0.50 0.00 C ATOM 1814 C GLU A 119 17.592 0.275 2.644 0.50 0.00 C ATOM 1815 O GLU A 119 18.212 0.289 3.689 0.50 0.00 O ATOM 1816 CB GLU A 119 18.117 -1.733 1.213 0.50 0.00 C ATOM 1817 CG GLU A 119 18.787 -2.412 2.410 0.50 0.00 C ATOM 1818 CD GLU A 119 19.466 -3.705 1.953 0.50 0.00 C ATOM 1819 OE1 GLU A 119 18.761 -4.595 1.507 0.50 0.00 O ATOM 1820 OE2 GLU A 119 20.678 -3.783 2.058 0.50 0.00 O ATOM 0 H GLU A 119 20.075 0.345 2.284 0.50 0.00 H new ATOM 0 HA GLU A 119 17.743 0.305 0.524 0.50 0.00 H new ATOM 0 HB2 GLU A 119 17.066 -2.018 1.163 0.50 0.00 H new ATOM 0 HB3 GLU A 119 18.583 -2.067 0.286 0.50 0.00 H new ATOM 0 HG2 GLU A 119 19.522 -1.742 2.857 0.50 0.00 H new ATOM 0 HG3 GLU A 119 18.046 -2.631 3.179 0.50 0.00 H new ATOM 1827 N ASP A 120 16.350 0.674 2.586 0.50 0.00 N ATOM 1828 CA ASP A 120 15.661 1.160 3.819 0.50 0.00 C ATOM 1829 C ASP A 120 14.228 0.626 3.868 0.50 0.00 C ATOM 1830 O ASP A 120 13.717 0.104 2.897 0.50 0.00 O ATOM 1831 CB ASP A 120 15.667 2.686 3.705 0.50 0.00 C ATOM 1832 CG ASP A 120 16.245 3.296 4.985 0.50 0.00 C ATOM 1833 OD1 ASP A 120 17.134 2.689 5.558 0.50 0.00 O ATOM 1834 OD2 ASP A 120 15.788 4.360 5.368 0.50 0.00 O ATOM 0 H ASP A 120 15.782 0.685 1.739 0.50 0.00 H new ATOM 0 HA ASP A 120 16.155 0.821 4.729 0.50 0.00 H new ATOM 0 HB2 ASP A 120 16.260 2.994 2.844 0.50 0.00 H new ATOM 0 HB3 ASP A 120 14.653 3.052 3.541 0.50 0.00 H new ATOM 1839 N GLN A 121 13.577 0.751 4.994 0.50 0.00 N ATOM 1840 CA GLN A 121 12.178 0.248 5.105 0.50 0.00 C ATOM 1841 C GLN A 121 11.313 1.232 5.896 0.50 0.00 C ATOM 1842 O GLN A 121 11.807 2.091 6.599 0.50 0.00 O ATOM 1843 CB GLN A 121 12.289 -1.086 5.851 0.50 0.00 C ATOM 1844 CG GLN A 121 11.931 -2.236 4.907 0.50 0.00 C ATOM 1845 CD GLN A 121 11.933 -3.553 5.685 0.50 0.00 C ATOM 1846 OE1 GLN A 121 11.439 -3.620 6.793 0.50 0.00 O ATOM 1847 NE2 GLN A 121 12.474 -4.613 5.148 0.50 0.00 N ATOM 0 H GLN A 121 13.953 1.179 5.840 0.50 0.00 H new ATOM 0 HA GLN A 121 11.709 0.132 4.128 0.50 0.00 H new ATOM 0 HB2 GLN A 121 13.302 -1.217 6.232 0.50 0.00 H new ATOM 0 HB3 GLN A 121 11.621 -1.089 6.713 0.50 0.00 H new ATOM 0 HG2 GLN A 121 10.950 -2.065 4.463 0.50 0.00 H new ATOM 0 HG3 GLN A 121 12.648 -2.284 4.087 0.50 0.00 H new ATOM 0 HE21 GLN A 121 12.889 -4.558 4.218 0.50 0.00 H new ATOM 0 HE22 GLN A 121 12.482 -5.496 5.659 0.50 0.00 H new ATOM 1856 N VAL A 122 10.020 1.101 5.783 0.50 0.00 N ATOM 1857 CA VAL A 122 9.092 2.011 6.517 0.50 0.00 C ATOM 1858 C VAL A 122 7.684 1.411 6.486 0.50 0.00 C ATOM 1859 O VAL A 122 7.369 0.590 5.645 0.50 0.00 O ATOM 1860 CB VAL A 122 9.148 3.364 5.775 0.50 0.00 C ATOM 1861 CG1 VAL A 122 9.412 3.140 4.287 0.50 0.00 C ATOM 1862 CG2 VAL A 122 7.818 4.115 5.937 0.50 0.00 C ATOM 0 H VAL A 122 9.561 0.395 5.208 0.50 0.00 H new ATOM 0 HA VAL A 122 9.368 2.143 7.563 0.50 0.00 H new ATOM 0 HB VAL A 122 9.956 3.956 6.205 0.50 0.00 H new ATOM 0 HG11 VAL A 122 9.449 4.102 3.775 0.50 0.00 H new ATOM 0 HG12 VAL A 122 10.364 2.624 4.160 0.50 0.00 H new ATOM 0 HG13 VAL A 122 8.612 2.534 3.863 0.50 0.00 H new ATOM 0 HG21 VAL A 122 7.871 5.067 5.409 0.50 0.00 H new ATOM 0 HG22 VAL A 122 7.008 3.515 5.522 0.50 0.00 H new ATOM 0 HG23 VAL A 122 7.629 4.297 6.995 0.50 0.00 H new ATOM 1872 N ASN A 123 6.840 1.805 7.396 0.50 0.00 N ATOM 1873 CA ASN A 123 5.457 1.247 7.416 0.50 0.00 C ATOM 1874 C ASN A 123 4.457 2.292 6.923 0.50 0.00 C ATOM 1875 O ASN A 123 4.547 3.458 7.251 0.50 0.00 O ATOM 1876 CB ASN A 123 5.178 0.894 8.878 0.50 0.00 C ATOM 1877 CG ASN A 123 6.312 0.026 9.430 0.50 0.00 C ATOM 1878 OD1 ASN A 123 6.317 -1.175 9.249 0.50 0.00 O ATOM 1879 ND2 ASN A 123 7.279 0.588 10.104 0.50 0.00 N ATOM 0 H ASN A 123 7.045 2.487 8.126 0.50 0.00 H new ATOM 0 HA ASN A 123 5.362 0.378 6.765 0.50 0.00 H new ATOM 0 HB2 ASN A 123 5.084 1.805 9.470 0.50 0.00 H new ATOM 0 HB3 ASN A 123 4.230 0.363 8.958 0.50 0.00 H new ATOM 0 HD21 ASN A 123 8.038 0.018 10.478 0.50 0.00 H new ATOM 0 HD22 ASN A 123 7.275 1.597 10.256 0.50 0.00 H new ATOM 1886 N LEU A 124 3.501 1.875 6.143 0.50 0.00 N ATOM 1887 CA LEU A 124 2.480 2.825 5.620 0.50 0.00 C ATOM 1888 C LEU A 124 1.104 2.461 6.191 0.50 0.00 C ATOM 1889 O LEU A 124 0.574 1.399 5.930 0.50 0.00 O ATOM 1890 CB LEU A 124 2.526 2.639 4.099 0.50 0.00 C ATOM 1891 CG LEU A 124 1.378 3.406 3.424 0.50 0.00 C ATOM 1892 CD1 LEU A 124 1.952 4.483 2.502 0.50 0.00 C ATOM 1893 CD2 LEU A 124 0.546 2.429 2.591 0.50 0.00 C ATOM 0 H LEU A 124 3.382 0.908 5.842 0.50 0.00 H new ATOM 0 HA LEU A 124 2.669 3.861 5.899 0.50 0.00 H new ATOM 0 HB2 LEU A 124 3.482 2.992 3.713 0.50 0.00 H new ATOM 0 HB3 LEU A 124 2.455 1.579 3.855 0.50 0.00 H new ATOM 0 HG LEU A 124 0.755 3.873 4.187 0.50 0.00 H new ATOM 0 HD11 LEU A 124 1.136 5.026 2.024 0.50 0.00 H new ATOM 0 HD12 LEU A 124 2.557 5.177 3.086 0.50 0.00 H new ATOM 0 HD13 LEU A 124 2.573 4.015 1.738 0.50 0.00 H new ATOM 0 HD21 LEU A 124 -0.271 2.966 2.109 0.50 0.00 H new ATOM 0 HD22 LEU A 124 1.178 1.970 1.830 0.50 0.00 H new ATOM 0 HD23 LEU A 124 0.138 1.654 3.240 0.50 0.00 H new ATOM 1905 N THR A 125 0.533 3.330 6.983 0.50 0.00 N ATOM 1906 CA THR A 125 -0.799 3.033 7.590 0.50 0.00 C ATOM 1907 C THR A 125 -1.917 3.215 6.560 0.50 0.00 C ATOM 1908 O THR A 125 -1.766 3.921 5.582 0.50 0.00 O ATOM 1909 CB THR A 125 -0.949 4.037 8.739 0.50 0.00 C ATOM 1910 OG1 THR A 125 -2.138 3.751 9.461 0.50 0.00 O ATOM 1911 CG2 THR A 125 -1.019 5.463 8.185 0.50 0.00 C ATOM 0 H THR A 125 0.932 4.234 7.236 0.50 0.00 H new ATOM 0 HA THR A 125 -0.867 2.003 7.939 0.50 0.00 H new ATOM 0 HB THR A 125 -0.087 3.955 9.401 0.50 0.00 H new ATOM 0 HG1 THR A 125 -2.235 4.390 10.197 0.50 0.00 H new ATOM 0 HG21 THR A 125 -1.126 6.169 9.009 0.50 0.00 H new ATOM 0 HG22 THR A 125 -0.105 5.684 7.634 0.50 0.00 H new ATOM 0 HG23 THR A 125 -1.876 5.552 7.518 0.50 0.00 H new ATOM 1919 N VAL A 126 -3.040 2.583 6.778 0.50 0.00 N ATOM 1920 CA VAL A 126 -4.172 2.718 5.818 0.50 0.00 C ATOM 1921 C VAL A 126 -5.504 2.791 6.572 0.50 0.00 C ATOM 1922 O VAL A 126 -5.607 2.376 7.710 0.50 0.00 O ATOM 1923 CB VAL A 126 -4.109 1.463 4.940 0.50 0.00 C ATOM 1924 CG1 VAL A 126 -4.201 0.213 5.815 0.50 0.00 C ATOM 1925 CG2 VAL A 126 -5.272 1.472 3.944 0.50 0.00 C ATOM 0 H VAL A 126 -3.221 1.979 7.580 0.50 0.00 H new ATOM 0 HA VAL A 126 -4.100 3.628 5.223 0.50 0.00 H new ATOM 0 HB VAL A 126 -3.164 1.456 4.397 0.50 0.00 H new ATOM 0 HG11 VAL A 126 -4.156 -0.676 5.186 0.50 0.00 H new ATOM 0 HG12 VAL A 126 -3.370 0.201 6.521 0.50 0.00 H new ATOM 0 HG13 VAL A 126 -5.143 0.221 6.364 0.50 0.00 H new ATOM 0 HG21 VAL A 126 -5.225 0.579 3.321 0.50 0.00 H new ATOM 0 HG22 VAL A 126 -6.217 1.486 4.488 0.50 0.00 H new ATOM 0 HG23 VAL A 126 -5.204 2.358 3.313 0.50 0.00 H new ATOM 1935 N LYS A 127 -6.520 3.315 5.942 0.50 0.00 N ATOM 1936 CA LYS A 127 -7.848 3.418 6.614 0.50 0.00 C ATOM 1937 C LYS A 127 -8.939 3.646 5.567 0.50 0.00 C ATOM 1938 O LYS A 127 -8.970 4.664 4.902 0.50 0.00 O ATOM 1939 CB LYS A 127 -7.732 4.628 7.545 0.50 0.00 C ATOM 1940 CG LYS A 127 -7.561 4.153 8.992 0.50 0.00 C ATOM 1941 CD LYS A 127 -6.129 4.430 9.461 0.50 0.00 C ATOM 1942 CE LYS A 127 -6.108 5.693 10.325 0.50 0.00 C ATOM 1943 NZ LYS A 127 -6.456 6.802 9.394 0.50 0.00 N ATOM 0 H LYS A 127 -6.488 3.677 4.989 0.50 0.00 H new ATOM 0 HA LYS A 127 -8.110 2.513 7.162 0.50 0.00 H new ATOM 0 HB2 LYS A 127 -6.882 5.244 7.252 0.50 0.00 H new ATOM 0 HB3 LYS A 127 -8.622 5.251 7.460 0.50 0.00 H new ATOM 0 HG2 LYS A 127 -8.272 4.666 9.640 0.50 0.00 H new ATOM 0 HG3 LYS A 127 -7.777 3.087 9.063 0.50 0.00 H new ATOM 0 HD2 LYS A 127 -5.751 3.581 10.031 0.50 0.00 H new ATOM 0 HD3 LYS A 127 -5.471 4.554 8.601 0.50 0.00 H new ATOM 0 HE2 LYS A 127 -6.826 5.624 11.143 0.50 0.00 H new ATOM 0 HE3 LYS A 127 -5.127 5.848 10.774 0.50 0.00 H new ATOM 0 HZ1 LYS A 127 -6.234 7.714 9.842 0.50 0.00 H new ATOM 0 HZ2 LYS A 127 -5.906 6.704 8.517 0.50 0.00 H new ATOM 0 HZ3 LYS A 127 -7.471 6.763 9.172 0.50 0.00 H new ATOM 1957 N VAL A 128 -9.830 2.705 5.408 0.50 0.00 N ATOM 1958 CA VAL A 128 -10.913 2.869 4.394 0.50 0.00 C ATOM 1959 C VAL A 128 -12.090 3.639 4.991 0.50 0.00 C ATOM 1960 O VAL A 128 -12.699 3.213 5.953 0.50 0.00 O ATOM 1961 CB VAL A 128 -11.353 1.450 4.022 0.50 0.00 C ATOM 1962 CG1 VAL A 128 -12.340 1.523 2.854 0.50 0.00 C ATOM 1963 CG2 VAL A 128 -10.140 0.606 3.610 0.50 0.00 C ATOM 0 H VAL A 128 -9.856 1.832 5.934 0.50 0.00 H new ATOM 0 HA VAL A 128 -10.564 3.428 3.526 0.50 0.00 H new ATOM 0 HB VAL A 128 -11.828 0.985 4.886 0.50 0.00 H new ATOM 0 HG11 VAL A 128 -12.658 0.516 2.583 0.50 0.00 H new ATOM 0 HG12 VAL A 128 -13.209 2.111 3.148 0.50 0.00 H new ATOM 0 HG13 VAL A 128 -11.856 1.993 1.998 0.50 0.00 H new ATOM 0 HG21 VAL A 128 -10.469 -0.400 3.348 0.50 0.00 H new ATOM 0 HG22 VAL A 128 -9.653 1.064 2.749 0.50 0.00 H new ATOM 0 HG23 VAL A 128 -9.435 0.553 4.440 0.50 0.00 H new ATOM 1973 N ILE A 129 -12.422 4.765 4.420 0.50 0.00 N ATOM 1974 CA ILE A 129 -13.570 5.558 4.946 0.50 0.00 C ATOM 1975 C ILE A 129 -14.760 5.429 3.989 0.50 0.00 C ATOM 1976 O ILE A 129 -14.622 4.962 2.873 0.50 0.00 O ATOM 1977 CB ILE A 129 -13.050 7.006 5.037 0.50 0.00 C ATOM 1978 CG1 ILE A 129 -13.347 7.563 6.434 0.50 0.00 C ATOM 1979 CG2 ILE A 129 -13.725 7.901 3.990 0.50 0.00 C ATOM 1980 CD1 ILE A 129 -12.653 6.701 7.491 0.50 0.00 C ATOM 0 H ILE A 129 -11.948 5.170 3.613 0.50 0.00 H new ATOM 0 HA ILE A 129 -13.921 5.215 5.919 0.50 0.00 H new ATOM 0 HB ILE A 129 -11.976 6.998 4.849 0.50 0.00 H new ATOM 0 HG12 ILE A 129 -13.000 8.594 6.506 0.50 0.00 H new ATOM 0 HG13 ILE A 129 -14.423 7.576 6.610 0.50 0.00 H new ATOM 0 HG21 ILE A 129 -13.339 8.917 4.077 0.50 0.00 H new ATOM 0 HG22 ILE A 129 -13.514 7.517 2.992 0.50 0.00 H new ATOM 0 HG23 ILE A 129 -14.802 7.906 4.156 0.50 0.00 H new ATOM 0 HD11 ILE A 129 -12.866 7.100 8.483 0.50 0.00 H new ATOM 0 HD12 ILE A 129 -13.021 5.677 7.425 0.50 0.00 H new ATOM 0 HD13 ILE A 129 -11.577 6.711 7.319 0.50 0.00 H new ATOM 1992 N ASP A 130 -15.924 5.831 4.420 0.50 0.00 N ATOM 1993 CA ASP A 130 -17.122 5.727 3.538 0.50 0.00 C ATOM 1994 C ASP A 130 -17.542 7.118 3.053 0.50 0.00 C ATOM 1995 O ASP A 130 -17.731 7.274 1.857 0.50 0.00 O ATOM 1996 CB ASP A 130 -18.213 5.112 4.419 0.50 0.00 C ATOM 1997 CG ASP A 130 -18.872 3.947 3.678 0.50 0.00 C ATOM 1998 OD1 ASP A 130 -19.392 4.175 2.598 0.50 0.00 O ATOM 1999 OD2 ASP A 130 -18.848 2.846 4.204 0.50 0.00 O ATOM 2000 OXT ASP A 130 -17.667 8.001 3.885 0.50 0.00 O ATOM 0 H ASP A 130 -16.098 6.227 5.344 0.50 0.00 H new ATOM 0 HA ASP A 130 -16.930 5.125 2.650 0.50 0.00 H new ATOM 0 HB2 ASP A 130 -17.783 4.763 5.358 0.50 0.00 H new ATOM 0 HB3 ASP A 130 -18.959 5.865 4.671 0.50 0.00 H new