USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 525 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 89 ASN : amide:sc= 0.455 K(o=0.88,f=0.026) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0.426 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 1.02 (180deg=1.02) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.0234 USER MOD Single : A 32 THR OG1 : rot 167:sc= 0.36 USER MOD Single : A 33 MET CE :methyl -166:sc= -2.6! (180deg=-2.83!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0.628 (180deg=0.628) USER MOD Single : A 35 ASN : amide:sc= 0.334 X(o=0.33,f=0) USER MOD Single : A 40 CYS SG : rot -7:sc= -0.667 USER MOD Single : A 41 SER OG : rot 82:sc= 1.03 USER MOD Single : A 43 GLN : amide:sc= 0.849 K(o=0.85,f=-5.6!) USER MOD Single : A 46 LYS NZ :NH3+ 170:sc= 1.22 (180deg=1.17) USER MOD Single : A 52 ASN : amide:sc= -0.52 K(o=-0.52,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 97:sc= -0.509! USER MOD Single : A 57 THR OG1 : rot -160:sc= 0.00181 USER MOD Single : A 59 SER OG : rot 180:sc= -0.078 USER MOD Single : A 60 SER OG : rot 180:sc= 0.173 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.134 K(o=0.13,f=-5.1!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 27 6.132 15.277 5.417 1.00 0.00 N ATOM 26 CA LYS A 27 5.221 14.339 6.082 1.00 0.00 C ATOM 27 C LYS A 27 5.964 13.083 6.524 1.00 0.00 C ATOM 28 O LYS A 27 7.133 12.861 6.200 1.00 0.00 O ATOM 29 CB LYS A 27 4.088 13.965 5.100 1.00 0.00 C ATOM 30 CG LYS A 27 2.703 14.475 5.501 1.00 0.00 C ATOM 31 CD LYS A 27 2.103 13.734 6.715 1.00 0.00 C ATOM 32 CE LYS A 27 0.568 13.756 6.718 1.00 0.00 C ATOM 33 NZ LYS A 27 0.009 15.135 6.721 1.00 0.00 N ATOM 0 HA LYS A 27 4.804 14.813 6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.335 14.360 4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.048 12.880 5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.768 15.539 5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.027 14.373 4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.448 12.700 6.712 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.471 14.191 7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.200 13.222 5.842 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.204 13.220 7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.030 15.088 6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.335 15.640 7.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.331 15.642 5.872 1.00 0.00 H new ATOM 47 N ARG A 28 5.222 12.285 7.280 1.00 0.00 N ATOM 48 CA ARG A 28 5.422 10.893 7.649 1.00 0.00 C ATOM 49 C ARG A 28 4.026 10.354 7.947 1.00 0.00 C ATOM 50 O ARG A 28 3.262 10.988 8.679 1.00 0.00 O ATOM 51 CB ARG A 28 6.291 10.771 8.901 1.00 0.00 C ATOM 52 CG ARG A 28 7.793 10.862 8.607 1.00 0.00 C ATOM 53 CD ARG A 28 8.596 10.332 9.795 1.00 0.00 C ATOM 54 NE ARG A 28 8.461 8.864 9.901 1.00 0.00 N ATOM 55 CZ ARG A 28 8.578 8.094 10.966 1.00 0.00 C ATOM 56 NH1 ARG A 28 8.968 8.538 12.125 1.00 0.00 N ATOM 57 NH2 ARG A 28 8.283 6.835 10.852 1.00 0.00 N ATOM 0 H ARG A 28 4.363 12.643 7.698 1.00 0.00 H new ATOM 0 HA ARG A 28 5.928 10.345 6.854 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.017 11.558 9.603 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.080 9.820 9.390 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.031 10.287 7.712 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.069 11.897 8.404 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.646 10.598 9.679 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.248 10.802 10.715 1.00 0.00 H new ATOM 0 HE ARG A 28 8.248 8.379 9.030 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.200 9.524 12.241 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.042 7.900 12.917 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.970 6.464 9.955 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.364 6.217 11.659 1.00 0.00 H new ATOM 71 N TYR A 29 3.682 9.220 7.360 1.00 0.00 N ATOM 72 CA TYR A 29 2.380 8.580 7.524 1.00 0.00 C ATOM 73 C TYR A 29 2.539 7.059 7.512 1.00 0.00 C ATOM 74 O TYR A 29 3.598 6.525 7.174 1.00 0.00 O ATOM 75 CB TYR A 29 1.428 9.027 6.388 1.00 0.00 C ATOM 76 CG TYR A 29 1.774 8.497 5.008 1.00 0.00 C ATOM 77 CD1 TYR A 29 1.447 7.164 4.674 1.00 0.00 C ATOM 78 CD2 TYR A 29 2.361 9.328 4.031 1.00 0.00 C ATOM 79 CE1 TYR A 29 1.752 6.625 3.418 1.00 0.00 C ATOM 80 CE2 TYR A 29 2.561 8.816 2.737 1.00 0.00 C ATOM 81 CZ TYR A 29 2.278 7.465 2.427 1.00 0.00 C ATOM 82 OH TYR A 29 2.412 6.978 1.167 1.00 0.00 O ATOM 0 H TYR A 29 4.310 8.705 6.743 1.00 0.00 H new ATOM 0 HA TYR A 29 1.953 8.880 8.481 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.416 8.710 6.638 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.420 10.116 6.350 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.949 6.545 5.406 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.652 10.340 4.273 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.584 5.577 3.216 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.939 9.468 1.963 1.00 0.00 H new ATOM 0 HH TYR A 29 1.720 6.304 1.001 1.00 0.00 H new ATOM 92 N ARG A 30 1.443 6.361 7.795 1.00 0.00 N ATOM 93 CA ARG A 30 1.306 4.926 7.568 1.00 0.00 C ATOM 94 C ARG A 30 -0.089 4.645 7.005 1.00 0.00 C ATOM 95 O ARG A 30 -1.090 5.081 7.580 1.00 0.00 O ATOM 96 CB ARG A 30 1.587 4.215 8.892 1.00 0.00 C ATOM 97 CG ARG A 30 1.484 2.682 8.895 1.00 0.00 C ATOM 98 CD ARG A 30 2.524 1.995 8.006 1.00 0.00 C ATOM 99 NE ARG A 30 3.886 2.498 8.263 1.00 0.00 N ATOM 100 CZ ARG A 30 4.983 1.780 8.366 1.00 0.00 C ATOM 101 NH1 ARG A 30 5.021 0.524 8.045 1.00 0.00 N ATOM 102 NH2 ARG A 30 6.077 2.319 8.795 1.00 0.00 N ATOM 0 H ARG A 30 0.608 6.786 8.197 1.00 0.00 H new ATOM 0 HA ARG A 30 2.018 4.550 6.834 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.591 4.488 9.217 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.894 4.603 9.639 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.597 2.321 9.917 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.487 2.393 8.563 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.496 0.919 8.179 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.269 2.156 6.958 1.00 0.00 H new ATOM 0 HE ARG A 30 3.988 3.507 8.372 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.181 0.060 7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.891 -0.000 8.139 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.092 3.305 9.055 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.925 1.758 8.873 1.00 0.00 H new ATOM 116 N ILE A 31 -0.148 3.974 5.868 1.00 0.00 N ATOM 117 CA ILE A 31 -1.381 3.386 5.328 1.00 0.00 C ATOM 118 C ILE A 31 -1.316 1.891 5.526 1.00 0.00 C ATOM 119 O ILE A 31 -0.232 1.351 5.687 1.00 0.00 O ATOM 120 CB ILE A 31 -1.649 3.706 3.833 1.00 0.00 C ATOM 121 CG1 ILE A 31 -0.562 3.157 2.904 1.00 0.00 C ATOM 122 CG2 ILE A 31 -1.842 5.206 3.664 1.00 0.00 C ATOM 123 CD1 ILE A 31 -0.848 3.361 1.410 1.00 0.00 C ATOM 0 H ILE A 31 0.668 3.815 5.277 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.212 3.835 5.872 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.565 3.196 3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.386 3.636 3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.440 2.091 3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.030 5.433 2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.691 5.533 4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.943 5.728 3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.030 2.944 0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.778 2.858 1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.940 4.427 1.199 1.00 0.00 H new ATOM 135 N THR A 32 -2.465 1.248 5.433 1.00 0.00 N ATOM 136 CA THR A 32 -2.708 -0.183 5.561 1.00 0.00 C ATOM 137 C THR A 32 -3.462 -0.639 4.340 1.00 0.00 C ATOM 138 O THR A 32 -4.222 0.130 3.744 1.00 0.00 O ATOM 139 CB THR A 32 -3.557 -0.454 6.802 1.00 0.00 C ATOM 140 OG1 THR A 32 -2.783 -0.091 7.913 1.00 0.00 O ATOM 141 CG2 THR A 32 -3.893 -1.925 7.032 1.00 0.00 C ATOM 0 H THR A 32 -3.330 1.756 5.250 1.00 0.00 H new ATOM 0 HA THR A 32 -1.762 -0.717 5.653 1.00 0.00 H new ATOM 0 HB THR A 32 -4.487 0.098 6.665 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.353 -0.048 8.709 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.497 -2.023 7.934 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.451 -2.309 6.178 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.971 -2.495 7.149 1.00 0.00 H new ATOM 149 N MET A 33 -3.201 -1.881 3.944 1.00 0.00 N ATOM 150 CA MET A 33 -3.695 -2.473 2.720 1.00 0.00 C ATOM 151 C MET A 33 -4.013 -3.948 2.960 1.00 0.00 C ATOM 152 O MET A 33 -3.128 -4.749 3.284 1.00 0.00 O ATOM 153 CB MET A 33 -2.676 -2.294 1.566 1.00 0.00 C ATOM 154 CG MET A 33 -2.083 -0.871 1.478 1.00 0.00 C ATOM 155 SD MET A 33 -1.536 -0.215 -0.109 1.00 0.00 S ATOM 156 CE MET A 33 -0.850 -1.710 -0.836 1.00 0.00 C ATOM 0 H MET A 33 -2.620 -2.518 4.489 1.00 0.00 H new ATOM 0 HA MET A 33 -4.611 -1.963 2.421 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.864 -3.009 1.696 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.164 -2.534 0.621 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.832 -0.184 1.871 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.229 -0.834 2.155 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.248 -1.448 -1.706 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.225 -2.218 -0.102 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.661 -2.371 -1.142 1.00 0.00 H new ATOM 166 N LYS A 34 -5.300 -4.284 2.843 1.00 0.00 N ATOM 167 CA LYS A 34 -5.843 -5.626 3.070 1.00 0.00 C ATOM 168 C LYS A 34 -7.199 -5.839 2.498 1.00 0.00 C ATOM 169 O LYS A 34 -7.931 -4.880 2.307 1.00 0.00 O ATOM 170 CB LYS A 34 -6.189 -5.911 4.545 1.00 0.00 C ATOM 171 CG LYS A 34 -6.243 -4.788 5.577 1.00 0.00 C ATOM 172 CD LYS A 34 -7.574 -4.033 5.418 1.00 0.00 C ATOM 173 CE LYS A 34 -7.748 -3.022 6.556 1.00 0.00 C ATOM 174 NZ LYS A 34 -8.979 -2.214 6.376 1.00 0.00 N ATOM 0 H LYS A 34 -6.016 -3.608 2.579 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.049 -6.235 2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.164 -6.399 4.554 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.464 -6.640 4.906 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.159 -5.196 6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.404 -4.107 5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.596 -3.518 4.458 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.404 -4.740 5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.792 -3.549 7.509 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.881 -2.363 6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.069 -1.539 7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.924 -1.694 5.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.808 -2.842 6.363 1.00 0.00 H new ATOM 188 N ASN A 35 -7.563 -7.114 2.443 1.00 0.00 N ATOM 189 CA ASN A 35 -8.954 -7.505 2.419 1.00 0.00 C ATOM 190 C ASN A 35 -9.094 -9.014 2.698 1.00 0.00 C ATOM 191 O ASN A 35 -8.118 -9.743 2.558 1.00 0.00 O ATOM 192 CB ASN A 35 -9.582 -6.947 1.142 1.00 0.00 C ATOM 193 CG ASN A 35 -10.839 -7.627 0.648 1.00 0.00 C ATOM 194 OD1 ASN A 35 -11.867 -7.664 1.308 1.00 0.00 O ATOM 195 ND2 ASN A 35 -10.772 -8.198 -0.532 1.00 0.00 N ATOM 0 H ASN A 35 -6.906 -7.893 2.414 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.539 -7.069 3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.808 -5.893 1.307 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.836 -6.993 0.348 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.586 -8.682 -0.911 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.906 -8.158 -1.070 1.00 0.00 H new ATOM 257 N CYS A 40 -0.983 -10.903 1.869 1.00 0.00 N ATOM 258 CA CYS A 40 0.184 -10.451 1.094 1.00 0.00 C ATOM 259 C CYS A 40 1.571 -10.553 1.785 1.00 0.00 C ATOM 260 O CYS A 40 1.713 -10.950 2.946 1.00 0.00 O ATOM 261 CB CYS A 40 -0.101 -9.078 0.426 1.00 0.00 C ATOM 262 SG CYS A 40 -0.933 -7.874 1.512 1.00 0.00 S ATOM 0 HA CYS A 40 0.305 -11.195 0.306 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.842 -8.651 0.084 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.717 -9.238 -0.459 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.280 -8.457 2.621 1.00 0.00 H new ATOM 268 N SER A 41 2.614 -10.200 1.032 1.00 0.00 N ATOM 269 CA SER A 41 4.025 -10.122 1.451 1.00 0.00 C ATOM 270 C SER A 41 4.631 -8.833 0.888 1.00 0.00 C ATOM 271 O SER A 41 4.111 -8.318 -0.107 1.00 0.00 O ATOM 272 CB SER A 41 4.849 -11.309 0.923 1.00 0.00 C ATOM 273 OG SER A 41 4.109 -12.509 0.771 1.00 0.00 O ATOM 0 H SER A 41 2.495 -9.944 0.052 1.00 0.00 H new ATOM 0 HA SER A 41 4.053 -10.141 2.540 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.281 -11.037 -0.040 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.680 -11.492 1.604 1.00 0.00 H new ATOM 0 HG SER A 41 3.628 -12.491 -0.082 1.00 0.00 H new ATOM 279 N TRP A 42 5.710 -8.281 1.465 1.00 0.00 N ATOM 280 CA TRP A 42 6.228 -7.006 0.942 1.00 0.00 C ATOM 281 C TRP A 42 6.606 -7.114 -0.518 1.00 0.00 C ATOM 282 O TRP A 42 6.219 -6.256 -1.289 1.00 0.00 O ATOM 283 CB TRP A 42 7.371 -6.369 1.743 1.00 0.00 C ATOM 284 CG TRP A 42 7.844 -5.032 1.197 1.00 0.00 C ATOM 285 CD1 TRP A 42 9.134 -4.625 1.154 1.00 0.00 C ATOM 286 CD2 TRP A 42 7.086 -3.956 0.534 1.00 0.00 C ATOM 287 NE1 TRP A 42 9.232 -3.419 0.482 1.00 0.00 N ATOM 288 CE2 TRP A 42 8.005 -2.979 0.034 1.00 0.00 C ATOM 289 CE3 TRP A 42 5.721 -3.720 0.250 1.00 0.00 C ATOM 290 CZ2 TRP A 42 7.599 -1.878 -0.743 1.00 0.00 C ATOM 291 CZ3 TRP A 42 5.312 -2.642 -0.543 1.00 0.00 C ATOM 292 CH2 TRP A 42 6.236 -1.712 -1.030 1.00 0.00 C ATOM 0 H TRP A 42 6.221 -8.674 2.256 1.00 0.00 H new ATOM 0 HA TRP A 42 5.387 -6.323 1.057 1.00 0.00 H new ATOM 0 HB2 TRP A 42 7.045 -6.233 2.774 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.214 -7.059 1.763 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.967 -5.163 1.582 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.107 -2.916 0.336 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.976 -4.388 0.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.327 -1.171 -1.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.265 -2.526 -0.783 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.903 -0.873 -1.622 1.00 0.00 H new ATOM 303 N GLN A 43 7.238 -8.203 -0.947 1.00 0.00 N ATOM 304 CA GLN A 43 7.572 -8.408 -2.349 1.00 0.00 C ATOM 305 C GLN A 43 6.380 -8.375 -3.313 1.00 0.00 C ATOM 306 O GLN A 43 6.456 -7.813 -4.419 1.00 0.00 O ATOM 307 CB GLN A 43 8.451 -9.666 -2.509 1.00 0.00 C ATOM 308 CG GLN A 43 7.821 -11.006 -2.064 1.00 0.00 C ATOM 309 CD GLN A 43 7.985 -11.371 -0.584 1.00 0.00 C ATOM 310 OE1 GLN A 43 8.126 -10.542 0.303 1.00 0.00 O ATOM 311 NE2 GLN A 43 7.934 -12.642 -0.248 1.00 0.00 N ATOM 0 H GLN A 43 7.531 -8.964 -0.334 1.00 0.00 H new ATOM 0 HA GLN A 43 8.154 -7.539 -2.656 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.735 -9.753 -3.558 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.370 -9.515 -1.942 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.756 -10.977 -2.294 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.255 -11.805 -2.664 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.817 -13.355 -0.968 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.012 -12.914 0.732 1.00 0.00 H new ATOM 320 N ASP A 44 5.244 -8.883 -2.856 1.00 0.00 N ATOM 321 CA ASP A 44 4.019 -8.901 -3.622 1.00 0.00 C ATOM 322 C ASP A 44 3.466 -7.483 -3.754 1.00 0.00 C ATOM 323 O ASP A 44 3.065 -7.031 -4.832 1.00 0.00 O ATOM 324 CB ASP A 44 3.003 -9.766 -2.887 1.00 0.00 C ATOM 325 CG ASP A 44 3.371 -11.250 -2.734 1.00 0.00 C ATOM 326 OD1 ASP A 44 3.988 -11.838 -3.654 1.00 0.00 O ATOM 327 OD2 ASP A 44 3.010 -11.833 -1.681 1.00 0.00 O ATOM 0 H ASP A 44 5.153 -9.299 -1.929 1.00 0.00 H new ATOM 0 HA ASP A 44 4.214 -9.301 -4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.848 -9.346 -1.893 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.051 -9.700 -3.413 1.00 0.00 H new ATOM 332 N LEU A 45 3.460 -6.765 -2.634 1.00 0.00 N ATOM 333 CA LEU A 45 2.986 -5.400 -2.574 1.00 0.00 C ATOM 334 C LEU A 45 3.939 -4.392 -3.235 1.00 0.00 C ATOM 335 O LEU A 45 3.455 -3.402 -3.770 1.00 0.00 O ATOM 336 CB LEU A 45 2.703 -5.086 -1.110 1.00 0.00 C ATOM 337 CG LEU A 45 1.300 -5.515 -0.666 1.00 0.00 C ATOM 338 CD1 LEU A 45 1.178 -5.146 0.797 1.00 0.00 C ATOM 339 CD2 LEU A 45 0.199 -4.792 -1.446 1.00 0.00 C ATOM 0 H LEU A 45 3.789 -7.125 -1.738 1.00 0.00 H new ATOM 0 HA LEU A 45 2.072 -5.302 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.444 -5.586 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.819 -4.015 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 45 1.176 -6.583 -0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.192 -5.432 1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.944 -5.670 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.310 -4.070 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.777 -5.129 -1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.289 -3.717 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.300 -5.014 -2.508 1.00 0.00 H new ATOM 351 N LYS A 46 5.252 -4.658 -3.270 1.00 0.00 N ATOM 352 CA LYS A 46 6.269 -3.943 -4.067 1.00 0.00 C ATOM 353 C LYS A 46 5.848 -4.033 -5.522 1.00 0.00 C ATOM 354 O LYS A 46 5.667 -3.009 -6.188 1.00 0.00 O ATOM 355 CB LYS A 46 7.666 -4.593 -3.853 1.00 0.00 C ATOM 356 CG LYS A 46 8.838 -3.650 -3.556 1.00 0.00 C ATOM 357 CD LYS A 46 9.162 -2.625 -4.644 1.00 0.00 C ATOM 358 CE LYS A 46 10.360 -1.767 -4.210 1.00 0.00 C ATOM 359 NZ LYS A 46 10.887 -0.947 -5.329 1.00 0.00 N ATOM 0 H LYS A 46 5.658 -5.414 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 46 6.343 -2.899 -3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.586 -5.303 -3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.912 -5.167 -4.746 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.623 -3.114 -2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.728 -4.253 -3.375 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.388 -3.134 -5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.296 -1.990 -4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.061 -1.114 -3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.151 -2.413 -3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.578 -0.262 -4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.349 -1.566 -6.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.103 -0.438 -5.785 1.00 0.00 H new ATOM 373 N ASP A 47 5.614 -5.264 -5.989 1.00 0.00 N ATOM 374 CA ASP A 47 5.122 -5.508 -7.346 1.00 0.00 C ATOM 375 C ASP A 47 3.912 -4.658 -7.663 1.00 0.00 C ATOM 376 O ASP A 47 4.028 -3.747 -8.491 1.00 0.00 O ATOM 377 CB ASP A 47 4.863 -6.993 -7.615 1.00 0.00 C ATOM 378 CG ASP A 47 4.595 -7.269 -9.095 1.00 0.00 C ATOM 379 OD1 ASP A 47 5.212 -6.605 -9.959 1.00 0.00 O ATOM 380 OD2 ASP A 47 3.748 -8.137 -9.402 1.00 0.00 O ATOM 0 H ASP A 47 5.759 -6.112 -5.441 1.00 0.00 H new ATOM 0 HA ASP A 47 5.918 -5.205 -8.027 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.724 -7.576 -7.288 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.009 -7.325 -7.024 1.00 0.00 H new ATOM 385 N LEU A 48 2.815 -4.877 -6.935 1.00 0.00 N ATOM 386 CA LEU A 48 1.603 -4.129 -7.205 1.00 0.00 C ATOM 387 C LEU A 48 1.852 -2.619 -7.135 1.00 0.00 C ATOM 388 O LEU A 48 1.394 -1.864 -7.981 1.00 0.00 O ATOM 389 CB LEU A 48 0.425 -4.597 -6.337 1.00 0.00 C ATOM 390 CG LEU A 48 -0.885 -3.851 -6.684 1.00 0.00 C ATOM 391 CD1 LEU A 48 -2.119 -4.607 -6.226 1.00 0.00 C ATOM 392 CD2 LEU A 48 -1.009 -2.520 -5.977 1.00 0.00 C ATOM 0 H LEU A 48 2.748 -5.552 -6.173 1.00 0.00 H new ATOM 0 HA LEU A 48 1.304 -4.342 -8.232 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.278 -5.669 -6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.664 -4.439 -5.285 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.833 -3.742 -7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.012 -4.042 -6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.149 -5.583 -6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.084 -4.740 -5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.948 -2.044 -6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.993 -2.678 -4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.176 -1.878 -6.262 1.00 0.00 H new ATOM 404 N ALA A 49 2.589 -2.139 -6.147 1.00 0.00 N ATOM 405 CA ALA A 49 2.822 -0.717 -5.991 1.00 0.00 C ATOM 406 C ALA A 49 3.508 -0.063 -7.194 1.00 0.00 C ATOM 407 O ALA A 49 3.134 1.052 -7.571 1.00 0.00 O ATOM 408 CB ALA A 49 3.641 -0.534 -4.730 1.00 0.00 C ATOM 0 H ALA A 49 3.038 -2.719 -5.438 1.00 0.00 H new ATOM 0 HA ALA A 49 1.858 -0.213 -5.920 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.839 0.527 -4.576 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.089 -0.928 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.586 -1.069 -4.829 1.00 0.00 H new ATOM 414 N ARG A 50 4.448 -0.749 -7.860 1.00 0.00 N ATOM 415 CA ARG A 50 4.995 -0.231 -9.131 1.00 0.00 C ATOM 416 C ARG A 50 3.975 -0.311 -10.256 1.00 0.00 C ATOM 417 O ARG A 50 3.895 0.601 -11.074 1.00 0.00 O ATOM 418 CB ARG A 50 6.235 -1.008 -9.533 1.00 0.00 C ATOM 419 CG ARG A 50 7.371 -0.814 -8.516 1.00 0.00 C ATOM 420 CD ARG A 50 7.954 -2.071 -7.861 1.00 0.00 C ATOM 421 NE ARG A 50 7.559 -3.348 -8.501 1.00 0.00 N ATOM 422 CZ ARG A 50 8.046 -3.878 -9.618 1.00 0.00 C ATOM 423 NH1 ARG A 50 9.099 -3.386 -10.212 1.00 0.00 N ATOM 424 NH2 ARG A 50 7.487 -4.901 -10.202 1.00 0.00 N ATOM 0 H ARG A 50 4.839 -1.640 -7.554 1.00 0.00 H new ATOM 0 HA ARG A 50 5.251 0.816 -8.966 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.993 -2.068 -9.613 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.567 -0.682 -10.519 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.184 -0.287 -9.016 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.006 -0.160 -7.724 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.041 -1.997 -7.871 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.646 -2.095 -6.816 1.00 0.00 H new ATOM 0 HE ARG A 50 6.829 -3.882 -8.030 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.572 -2.572 -9.820 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.449 -3.816 -11.069 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.648 -5.321 -9.802 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.889 -5.282 -11.059 1.00 0.00 H new ATOM 438 N GLU A 51 3.150 -1.357 -10.236 1.00 0.00 N ATOM 439 CA GLU A 51 1.949 -1.432 -11.107 1.00 0.00 C ATOM 440 C GLU A 51 1.017 -0.227 -10.996 1.00 0.00 C ATOM 441 O GLU A 51 0.328 0.153 -11.942 1.00 0.00 O ATOM 442 CB GLU A 51 1.090 -2.683 -10.891 1.00 0.00 C ATOM 443 CG GLU A 51 1.878 -3.972 -11.072 1.00 0.00 C ATOM 444 CD GLU A 51 2.424 -4.163 -12.497 1.00 0.00 C ATOM 445 OE1 GLU A 51 3.489 -3.599 -12.848 1.00 0.00 O ATOM 446 OE2 GLU A 51 1.814 -4.934 -13.284 1.00 0.00 O ATOM 0 H GLU A 51 3.280 -2.169 -9.632 1.00 0.00 H new ATOM 0 HA GLU A 51 2.398 -1.461 -12.100 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.665 -2.659 -9.887 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.254 -2.671 -11.591 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.710 -3.981 -10.368 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.238 -4.818 -10.820 1.00 0.00 H new ATOM 453 N ASN A 52 1.022 0.366 -9.811 1.00 0.00 N ATOM 454 CA ASN A 52 0.075 1.366 -9.367 1.00 0.00 C ATOM 455 C ASN A 52 0.693 2.756 -9.139 1.00 0.00 C ATOM 456 O ASN A 52 -0.022 3.700 -8.793 1.00 0.00 O ATOM 457 CB ASN A 52 -0.549 0.735 -8.122 1.00 0.00 C ATOM 458 CG ASN A 52 -1.748 -0.111 -8.499 1.00 0.00 C ATOM 459 OD1 ASN A 52 -2.882 0.337 -8.543 1.00 0.00 O ATOM 460 ND2 ASN A 52 -1.519 -1.356 -8.832 1.00 0.00 N ATOM 0 H ASN A 52 1.723 0.149 -9.102 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.674 1.597 -10.125 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.191 0.120 -7.609 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.852 1.516 -7.425 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.290 -1.954 -9.129 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.570 -1.728 -8.794 1.00 0.00 H new ATOM 467 N SER A 53 2.006 2.891 -9.361 1.00 0.00 N ATOM 468 CA SER A 53 2.783 4.132 -9.208 1.00 0.00 C ATOM 469 C SER A 53 2.747 4.677 -7.772 1.00 0.00 C ATOM 470 O SER A 53 2.877 5.883 -7.541 1.00 0.00 O ATOM 471 CB SER A 53 2.398 5.182 -10.264 1.00 0.00 C ATOM 472 OG SER A 53 2.606 4.677 -11.576 1.00 0.00 O ATOM 0 H SER A 53 2.583 2.107 -9.665 1.00 0.00 H new ATOM 0 HA SER A 53 3.826 3.879 -9.396 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.352 5.464 -10.139 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.991 6.085 -10.119 1.00 0.00 H new ATOM 0 HG SER A 53 2.354 5.359 -12.233 1.00 0.00 H new ATOM 478 N LEU A 54 2.574 3.776 -6.796 1.00 0.00 N ATOM 479 CA LEU A 54 2.752 4.077 -5.375 1.00 0.00 C ATOM 480 C LEU A 54 4.235 4.316 -5.104 1.00 0.00 C ATOM 481 O LEU A 54 4.651 5.442 -4.855 1.00 0.00 O ATOM 482 CB LEU A 54 2.291 2.891 -4.488 1.00 0.00 C ATOM 483 CG LEU A 54 0.824 2.752 -4.055 1.00 0.00 C ATOM 484 CD1 LEU A 54 0.760 2.392 -2.558 1.00 0.00 C ATOM 485 CD2 LEU A 54 -0.026 3.983 -4.345 1.00 0.00 C ATOM 0 H LEU A 54 2.304 2.809 -6.976 1.00 0.00 H new ATOM 0 HA LEU A 54 2.155 4.957 -5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.556 1.975 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.891 2.920 -3.579 1.00 0.00 H new ATOM 0 HG LEU A 54 0.395 1.951 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.281 2.294 -2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.279 1.449 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.237 3.179 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.048 3.806 -4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.386 4.842 -3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.024 4.182 -5.417 1.00 0.00 H new ATOM 497 N GLU A 55 5.019 3.235 -5.182 1.00 0.00 N ATOM 498 CA GLU A 55 6.380 3.128 -4.688 1.00 0.00 C ATOM 499 C GLU A 55 6.635 4.047 -3.472 1.00 0.00 C ATOM 500 O GLU A 55 7.384 5.030 -3.513 1.00 0.00 O ATOM 501 CB GLU A 55 7.402 3.227 -5.814 1.00 0.00 C ATOM 502 CG GLU A 55 8.782 3.048 -5.180 1.00 0.00 C ATOM 503 CD GLU A 55 9.747 2.125 -5.934 1.00 0.00 C ATOM 504 OE1 GLU A 55 9.321 1.044 -6.410 1.00 0.00 O ATOM 505 OE2 GLU A 55 10.969 2.402 -5.950 1.00 0.00 O ATOM 0 H GLU A 55 4.696 2.370 -5.616 1.00 0.00 H new ATOM 0 HA GLU A 55 6.519 2.124 -4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.221 2.461 -6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.330 4.192 -6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.247 4.029 -5.084 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.650 2.658 -4.171 1.00 0.00 H new ATOM 512 N THR A 56 5.950 3.738 -2.368 1.00 0.00 N ATOM 513 CA THR A 56 6.276 4.358 -1.074 1.00 0.00 C ATOM 514 C THR A 56 7.665 3.855 -0.615 1.00 0.00 C ATOM 515 O THR A 56 8.248 2.950 -1.228 1.00 0.00 O ATOM 516 CB THR A 56 5.176 4.173 -0.012 1.00 0.00 C ATOM 517 OG1 THR A 56 5.495 3.148 0.888 1.00 0.00 O ATOM 518 CG2 THR A 56 3.772 3.892 -0.549 1.00 0.00 C ATOM 0 H THR A 56 5.177 3.073 -2.339 1.00 0.00 H new ATOM 0 HA THR A 56 6.323 5.439 -1.207 1.00 0.00 H new ATOM 0 HB THR A 56 5.147 5.147 0.476 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.893 3.534 1.696 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.079 3.779 0.285 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.450 4.722 -1.178 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.784 2.974 -1.137 1.00 0.00 H new ATOM 526 N THR A 57 8.234 4.419 0.445 1.00 0.00 N ATOM 527 CA THR A 57 9.594 4.103 0.905 1.00 0.00 C ATOM 528 C THR A 57 9.708 2.640 1.301 1.00 0.00 C ATOM 529 O THR A 57 10.698 1.972 0.996 1.00 0.00 O ATOM 530 CB THR A 57 9.947 4.925 2.157 1.00 0.00 C ATOM 531 OG1 THR A 57 9.589 6.279 1.988 1.00 0.00 O ATOM 532 CG2 THR A 57 11.433 4.891 2.503 1.00 0.00 C ATOM 0 H THR A 57 7.763 5.118 1.020 1.00 0.00 H new ATOM 0 HA THR A 57 10.267 4.334 0.079 1.00 0.00 H new ATOM 0 HB THR A 57 9.384 4.462 2.968 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.088 6.831 2.626 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.613 5.491 3.395 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.740 3.862 2.689 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.010 5.296 1.672 1.00 0.00 H new ATOM 540 N PHE A 58 8.691 2.163 2.027 1.00 0.00 N ATOM 541 CA PHE A 58 8.710 0.882 2.710 1.00 0.00 C ATOM 542 C PHE A 58 7.327 0.487 3.217 1.00 0.00 C ATOM 543 O PHE A 58 6.460 1.342 3.390 1.00 0.00 O ATOM 544 CB PHE A 58 9.726 0.990 3.864 1.00 0.00 C ATOM 545 CG PHE A 58 9.264 1.118 5.304 1.00 0.00 C ATOM 546 CD1 PHE A 58 9.061 2.392 5.861 1.00 0.00 C ATOM 547 CD2 PHE A 58 9.207 -0.025 6.122 1.00 0.00 C ATOM 548 CE1 PHE A 58 8.869 2.525 7.251 1.00 0.00 C ATOM 549 CE2 PHE A 58 9.003 0.107 7.506 1.00 0.00 C ATOM 550 CZ PHE A 58 8.880 1.385 8.080 1.00 0.00 C ATOM 0 H PHE A 58 7.817 2.674 2.154 1.00 0.00 H new ATOM 0 HA PHE A 58 9.006 0.095 2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.364 0.108 3.811 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.357 1.853 3.654 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.052 3.266 5.226 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.320 -1.006 5.685 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.713 3.503 7.682 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.941 -0.773 8.129 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.794 1.493 9.151 1.00 0.00 H new ATOM 560 N SER A 59 7.152 -0.797 3.532 1.00 0.00 N ATOM 561 CA SER A 59 5.955 -1.321 4.182 1.00 0.00 C ATOM 562 C SER A 59 6.310 -2.306 5.294 1.00 0.00 C ATOM 563 O SER A 59 7.348 -2.976 5.265 1.00 0.00 O ATOM 564 CB SER A 59 5.053 -2.002 3.164 1.00 0.00 C ATOM 565 OG SER A 59 3.911 -2.567 3.763 1.00 0.00 O ATOM 0 H SER A 59 7.852 -1.513 3.338 1.00 0.00 H new ATOM 0 HA SER A 59 5.427 -0.478 4.626 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.745 -1.277 2.410 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.614 -2.781 2.647 1.00 0.00 H new ATOM 0 HG SER A 59 3.358 -2.993 3.075 1.00 0.00 H new ATOM 571 N SER A 60 5.402 -2.411 6.260 1.00 0.00 N ATOM 572 CA SER A 60 5.377 -3.420 7.305 1.00 0.00 C ATOM 573 C SER A 60 4.324 -4.459 6.926 1.00 0.00 C ATOM 574 O SER A 60 3.126 -4.167 6.942 1.00 0.00 O ATOM 575 CB SER A 60 5.024 -2.756 8.640 1.00 0.00 C ATOM 576 OG SER A 60 6.097 -1.930 9.075 1.00 0.00 O ATOM 0 H SER A 60 4.623 -1.757 6.335 1.00 0.00 H new ATOM 0 HA SER A 60 6.349 -3.902 7.409 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.118 -2.160 8.530 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.815 -3.519 9.390 1.00 0.00 H new ATOM 0 HG SER A 60 5.861 -1.509 9.928 1.00 0.00 H new ATOM 582 N VAL A 61 4.774 -5.656 6.547 1.00 0.00 N ATOM 583 CA VAL A 61 3.938 -6.748 6.011 1.00 0.00 C ATOM 584 C VAL A 61 4.177 -8.042 6.797 1.00 0.00 C ATOM 585 O VAL A 61 5.081 -8.104 7.636 1.00 0.00 O ATOM 586 CB VAL A 61 4.193 -6.947 4.485 1.00 0.00 C ATOM 587 CG1 VAL A 61 3.048 -7.658 3.751 1.00 0.00 C ATOM 588 CG2 VAL A 61 4.349 -5.616 3.750 1.00 0.00 C ATOM 0 H VAL A 61 5.761 -5.907 6.604 1.00 0.00 H new ATOM 0 HA VAL A 61 2.890 -6.474 6.132 1.00 0.00 H new ATOM 0 HB VAL A 61 5.101 -7.549 4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.300 -7.759 2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.897 -8.647 4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.133 -7.074 3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.525 -5.804 2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.440 -5.026 3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.194 -5.067 4.166 1.00 0.00 H new ATOM 701 N THR A 69 -1.579 -8.476 6.278 1.00 0.00 N ATOM 702 CA THR A 69 -1.783 -7.151 5.631 1.00 0.00 C ATOM 703 C THR A 69 -0.436 -6.515 5.271 1.00 0.00 C ATOM 704 O THR A 69 0.612 -6.975 5.725 1.00 0.00 O ATOM 705 CB THR A 69 -2.627 -6.154 6.453 1.00 0.00 C ATOM 706 OG1 THR A 69 -1.873 -5.534 7.469 1.00 0.00 O ATOM 707 CG2 THR A 69 -3.827 -6.802 7.126 1.00 0.00 C ATOM 0 HA THR A 69 -2.360 -7.361 4.730 1.00 0.00 H new ATOM 0 HB THR A 69 -2.967 -5.421 5.721 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.443 -4.910 7.965 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.379 -6.049 7.688 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.477 -7.239 6.368 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.485 -7.583 7.805 1.00 0.00 H new ATOM 715 N GLY A 70 -0.436 -5.439 4.481 1.00 0.00 N ATOM 716 CA GLY A 70 0.763 -4.617 4.293 1.00 0.00 C ATOM 717 C GLY A 70 0.459 -3.168 4.604 1.00 0.00 C ATOM 718 O GLY A 70 -0.585 -2.660 4.204 1.00 0.00 O ATOM 0 H GLY A 70 -1.252 -5.116 3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.563 -4.975 4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.118 -4.709 3.267 1.00 0.00 H new ATOM 722 N ALA A 71 1.360 -2.502 5.311 1.00 0.00 N ATOM 723 CA ALA A 71 1.159 -1.136 5.749 1.00 0.00 C ATOM 724 C ALA A 71 2.348 -0.251 5.367 1.00 0.00 C ATOM 725 O ALA A 71 3.418 -0.341 5.966 1.00 0.00 O ATOM 726 CB ALA A 71 0.835 -1.155 7.252 1.00 0.00 C ATOM 0 H ALA A 71 2.255 -2.900 5.597 1.00 0.00 H new ATOM 0 HA ALA A 71 0.311 -0.682 5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.680 -0.135 7.604 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.069 -1.739 7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.665 -1.604 7.797 1.00 0.00 H new ATOM 732 N LEU A 72 2.144 0.584 4.347 1.00 0.00 N ATOM 733 CA LEU A 72 3.153 1.375 3.642 1.00 0.00 C ATOM 734 C LEU A 72 3.382 2.729 4.334 1.00 0.00 C ATOM 735 O LEU A 72 2.462 3.310 4.906 1.00 0.00 O ATOM 736 CB LEU A 72 2.654 1.689 2.234 1.00 0.00 C ATOM 737 CG LEU A 72 2.716 0.622 1.138 1.00 0.00 C ATOM 738 CD1 LEU A 72 4.151 0.361 0.697 1.00 0.00 C ATOM 739 CD2 LEU A 72 1.966 -0.665 1.480 1.00 0.00 C ATOM 0 H LEU A 72 1.210 0.735 3.967 1.00 0.00 H new ATOM 0 HA LEU A 72 4.076 0.795 3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.613 2.001 2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.216 2.552 1.877 1.00 0.00 H new ATOM 0 HG LEU A 72 2.178 1.037 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.159 -0.402 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.585 1.282 0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.736 0.016 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.058 -1.370 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.392 -1.105 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.913 -0.439 1.649 1.00 0.00 H new ATOM 751 N GLU A 73 4.562 3.302 4.150 1.00 0.00 N ATOM 752 CA GLU A 73 4.941 4.650 4.637 1.00 0.00 C ATOM 753 C GLU A 73 5.642 5.488 3.537 1.00 0.00 C ATOM 754 O GLU A 73 6.441 4.942 2.769 1.00 0.00 O ATOM 755 CB GLU A 73 5.849 4.497 5.876 1.00 0.00 C ATOM 756 CG GLU A 73 6.542 5.807 6.293 1.00 0.00 C ATOM 757 CD GLU A 73 6.966 5.877 7.775 1.00 0.00 C ATOM 758 OE1 GLU A 73 6.619 5.001 8.603 1.00 0.00 O ATOM 759 OE2 GLU A 73 7.667 6.850 8.135 1.00 0.00 O ATOM 0 H GLU A 73 5.317 2.839 3.643 1.00 0.00 H new ATOM 0 HA GLU A 73 4.034 5.191 4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.253 4.129 6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.608 3.743 5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.426 5.947 5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.870 6.639 6.083 1.00 0.00 H new ATOM 766 N PHE A 74 5.409 6.812 3.486 1.00 0.00 N ATOM 767 CA PHE A 74 6.182 7.760 2.660 1.00 0.00 C ATOM 768 C PHE A 74 6.427 9.114 3.371 1.00 0.00 C ATOM 769 O PHE A 74 5.610 9.522 4.203 1.00 0.00 O ATOM 770 CB PHE A 74 5.463 8.061 1.319 1.00 0.00 C ATOM 771 CG PHE A 74 6.397 8.493 0.193 1.00 0.00 C ATOM 772 CD1 PHE A 74 7.398 7.631 -0.263 1.00 0.00 C ATOM 773 CD2 PHE A 74 6.359 9.806 -0.297 1.00 0.00 C ATOM 774 CE1 PHE A 74 8.358 8.059 -1.193 1.00 0.00 C ATOM 775 CE2 PHE A 74 7.319 10.255 -1.221 1.00 0.00 C ATOM 776 CZ PHE A 74 8.323 9.380 -1.676 1.00 0.00 C ATOM 0 H PHE A 74 4.668 7.261 4.025 1.00 0.00 H new ATOM 0 HA PHE A 74 7.139 7.269 2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.919 7.171 1.003 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.724 8.845 1.484 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.433 6.617 0.107 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.584 10.480 0.039 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.121 7.377 -1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.286 11.272 -1.582 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.060 9.719 -2.389 1.00 0.00 H new ATOM 786 N PRO A 75 7.483 9.873 3.003 1.00 0.00 N ATOM 787 CA PRO A 75 7.699 11.259 3.434 1.00 0.00 C ATOM 788 C PRO A 75 6.746 12.338 2.867 1.00 0.00 C ATOM 789 O PRO A 75 6.909 13.507 3.222 1.00 0.00 O ATOM 790 CB PRO A 75 9.164 11.574 3.101 1.00 0.00 C ATOM 791 CG PRO A 75 9.508 10.605 1.981 1.00 0.00 C ATOM 792 CD PRO A 75 8.718 9.376 2.406 1.00 0.00 C ATOM 0 HA PRO A 75 7.467 11.310 4.498 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.287 12.610 2.783 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.810 11.428 3.967 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.198 10.977 1.004 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.578 10.407 1.922 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.506 8.734 1.551 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.283 8.778 3.121 1.00 0.00 H new ATOM 800 N SER A 76 5.749 11.997 2.034 1.00 0.00 N ATOM 801 CA SER A 76 4.735 12.942 1.532 1.00 0.00 C ATOM 802 C SER A 76 3.357 12.311 1.437 1.00 0.00 C ATOM 803 O SER A 76 3.186 11.327 0.723 1.00 0.00 O ATOM 804 CB SER A 76 5.028 13.389 0.103 1.00 0.00 C ATOM 805 OG SER A 76 6.239 14.101 -0.025 1.00 0.00 O ATOM 0 H SER A 76 5.622 11.047 1.686 1.00 0.00 H new ATOM 0 HA SER A 76 4.765 13.767 2.244 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.060 12.513 -0.544 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.208 14.015 -0.249 1.00 0.00 H new ATOM 0 HG SER A 76 6.370 14.358 -0.962 1.00 0.00 H new ATOM 811 N GLU A 77 2.350 12.942 2.049 1.00 0.00 N ATOM 812 CA GLU A 77 0.946 12.509 1.960 1.00 0.00 C ATOM 813 C GLU A 77 0.408 12.362 0.527 1.00 0.00 C ATOM 814 O GLU A 77 -0.586 11.674 0.320 1.00 0.00 O ATOM 815 CB GLU A 77 0.021 13.395 2.797 1.00 0.00 C ATOM 816 CG GLU A 77 0.006 14.880 2.412 1.00 0.00 C ATOM 817 CD GLU A 77 -0.513 15.723 3.587 1.00 0.00 C ATOM 818 OE1 GLU A 77 -1.719 15.654 3.920 1.00 0.00 O ATOM 819 OE2 GLU A 77 0.304 16.404 4.249 1.00 0.00 O ATOM 0 H GLU A 77 2.484 13.773 2.625 1.00 0.00 H new ATOM 0 HA GLU A 77 0.947 11.503 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.994 13.007 2.719 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.315 13.311 3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.010 15.203 2.138 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.627 15.031 1.538 1.00 0.00 H new ATOM 826 N GLU A 78 1.090 12.942 -0.459 1.00 0.00 N ATOM 827 CA GLU A 78 0.864 12.710 -1.887 1.00 0.00 C ATOM 828 C GLU A 78 0.669 11.213 -2.193 1.00 0.00 C ATOM 829 O GLU A 78 -0.371 10.826 -2.730 1.00 0.00 O ATOM 830 CB GLU A 78 2.069 13.255 -2.683 1.00 0.00 C ATOM 831 CG GLU A 78 2.316 14.763 -2.513 1.00 0.00 C ATOM 832 CD GLU A 78 3.618 15.191 -3.228 1.00 0.00 C ATOM 833 OE1 GLU A 78 3.604 15.391 -4.461 1.00 0.00 O ATOM 834 OE2 GLU A 78 4.664 15.339 -2.547 1.00 0.00 O ATOM 0 H GLU A 78 1.841 13.609 -0.281 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.048 13.229 -2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.965 12.716 -2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.916 13.042 -3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.473 15.322 -2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.381 15.008 -1.453 1.00 0.00 H new ATOM 841 N ILE A 79 1.627 10.360 -1.799 1.00 0.00 N ATOM 842 CA ILE A 79 1.623 8.915 -2.101 1.00 0.00 C ATOM 843 C ILE A 79 0.566 8.158 -1.261 1.00 0.00 C ATOM 844 O ILE A 79 -0.031 7.175 -1.723 1.00 0.00 O ATOM 845 CB ILE A 79 3.053 8.318 -1.975 1.00 0.00 C ATOM 846 CG1 ILE A 79 4.108 9.221 -2.666 1.00 0.00 C ATOM 847 CG2 ILE A 79 3.082 6.899 -2.558 1.00 0.00 C ATOM 848 CD1 ILE A 79 5.351 8.548 -3.287 1.00 0.00 C ATOM 0 H ILE A 79 2.438 10.655 -1.255 1.00 0.00 H new ATOM 0 HA ILE A 79 1.322 8.782 -3.140 1.00 0.00 H new ATOM 0 HB ILE A 79 3.311 8.270 -0.917 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.603 9.779 -3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.455 9.949 -1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.087 6.488 -2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.380 6.267 -2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.799 6.932 -3.610 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.993 9.309 -3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.902 8.016 -2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.037 7.844 -4.057 1.00 0.00 H new ATOM 860 N LEU A 80 0.256 8.674 -0.065 1.00 0.00 N ATOM 861 CA LEU A 80 -0.814 8.173 0.794 1.00 0.00 C ATOM 862 C LEU A 80 -2.182 8.357 0.115 1.00 0.00 C ATOM 863 O LEU A 80 -2.952 7.407 -0.017 1.00 0.00 O ATOM 864 CB LEU A 80 -0.718 8.883 2.170 1.00 0.00 C ATOM 865 CG LEU A 80 -1.996 9.336 2.917 1.00 0.00 C ATOM 866 CD1 LEU A 80 -2.862 8.215 3.473 1.00 0.00 C ATOM 867 CD2 LEU A 80 -1.625 10.143 4.157 1.00 0.00 C ATOM 0 H LEU A 80 0.755 9.468 0.337 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.703 7.101 0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.176 8.214 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.097 9.768 2.032 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.545 9.886 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.730 8.641 3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.194 7.573 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.283 7.627 4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.533 10.455 4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.022 9.528 4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.055 11.024 3.861 1.00 0.00 H new ATOM 879 N VAL A 81 -2.463 9.579 -0.341 1.00 0.00 N ATOM 880 CA VAL A 81 -3.757 9.977 -0.928 1.00 0.00 C ATOM 881 C VAL A 81 -3.959 9.301 -2.254 1.00 0.00 C ATOM 882 O VAL A 81 -5.061 8.832 -2.545 1.00 0.00 O ATOM 883 CB VAL A 81 -3.858 11.508 -1.087 1.00 0.00 C ATOM 884 CG1 VAL A 81 -5.123 11.962 -1.832 1.00 0.00 C ATOM 885 CG2 VAL A 81 -3.877 12.200 0.270 1.00 0.00 C ATOM 0 H VAL A 81 -1.786 10.341 -0.315 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.544 9.660 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.979 11.785 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.130 13.049 -1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.132 11.528 -2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.006 11.631 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.949 13.278 0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.736 11.852 0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.960 11.966 0.811 1.00 0.00 H new ATOM 895 N GLU A 82 -2.875 9.184 -3.020 1.00 0.00 N ATOM 896 CA GLU A 82 -2.810 8.345 -4.166 1.00 0.00 C ATOM 897 C GLU A 82 -3.336 6.953 -3.803 1.00 0.00 C ATOM 898 O GLU A 82 -4.443 6.634 -4.199 1.00 0.00 O ATOM 899 CB GLU A 82 -1.339 8.294 -4.537 1.00 0.00 C ATOM 900 CG GLU A 82 -0.825 9.229 -5.627 1.00 0.00 C ATOM 901 CD GLU A 82 -1.715 9.372 -6.862 1.00 0.00 C ATOM 902 OE1 GLU A 82 -1.806 8.427 -7.680 1.00 0.00 O ATOM 903 OE2 GLU A 82 -2.339 10.444 -7.033 1.00 0.00 O ATOM 0 H GLU A 82 -2.009 9.691 -2.838 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.413 8.711 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.763 8.492 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.111 7.273 -4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.680 10.218 -5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.155 8.876 -5.949 1.00 0.00 H new ATOM 910 N ALA A 83 -2.644 6.159 -2.973 1.00 0.00 N ATOM 911 CA ALA A 83 -3.099 4.799 -2.618 1.00 0.00 C ATOM 912 C ALA A 83 -4.570 4.722 -2.169 1.00 0.00 C ATOM 913 O ALA A 83 -5.312 3.867 -2.655 1.00 0.00 O ATOM 914 CB ALA A 83 -2.183 4.255 -1.532 1.00 0.00 C ATOM 0 H ALA A 83 -1.766 6.432 -2.532 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.046 4.193 -3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.503 3.250 -1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.159 4.220 -1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.230 4.904 -0.658 1.00 0.00 H new ATOM 920 N LEU A 84 -5.011 5.665 -1.343 1.00 0.00 N ATOM 921 CA LEU A 84 -6.391 5.772 -0.825 1.00 0.00 C ATOM 922 C LEU A 84 -7.404 6.002 -1.952 1.00 0.00 C ATOM 923 O LEU A 84 -8.575 5.652 -1.799 1.00 0.00 O ATOM 924 CB LEU A 84 -6.530 6.923 0.187 1.00 0.00 C ATOM 925 CG LEU A 84 -5.730 6.899 1.494 1.00 0.00 C ATOM 926 CD1 LEU A 84 -6.630 7.271 2.667 1.00 0.00 C ATOM 927 CD2 LEU A 84 -5.083 5.560 1.800 1.00 0.00 C ATOM 0 H LEU A 84 -4.404 6.408 -0.997 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.601 4.823 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.271 7.845 -0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.584 6.993 0.454 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.929 7.625 1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.051 7.251 3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.033 8.272 2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.450 6.557 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.536 5.627 2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.854 4.794 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.394 5.297 0.998 1.00 0.00 H new ATOM 939 N GLU A 85 -6.954 6.545 -3.079 1.00 0.00 N ATOM 940 CA GLU A 85 -7.738 6.635 -4.297 1.00 0.00 C ATOM 941 C GLU A 85 -7.332 5.648 -5.426 1.00 0.00 C ATOM 942 O GLU A 85 -8.020 5.597 -6.449 1.00 0.00 O ATOM 943 CB GLU A 85 -7.629 8.057 -4.874 1.00 0.00 C ATOM 944 CG GLU A 85 -8.124 9.208 -3.990 1.00 0.00 C ATOM 945 CD GLU A 85 -7.869 10.589 -4.651 1.00 0.00 C ATOM 946 OE1 GLU A 85 -7.522 10.666 -5.858 1.00 0.00 O ATOM 947 OE2 GLU A 85 -8.057 11.622 -3.963 1.00 0.00 O ATOM 0 H GLU A 85 -6.018 6.940 -3.169 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.751 6.371 -3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.583 8.244 -5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.186 8.086 -5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.190 9.087 -3.798 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.620 9.168 -3.024 1.00 0.00 H new ATOM 954 N ARG A 86 -6.240 4.871 -5.293 1.00 0.00 N ATOM 955 CA ARG A 86 -5.608 4.101 -6.387 1.00 0.00 C ATOM 956 C ARG A 86 -5.677 2.603 -6.158 1.00 0.00 C ATOM 957 O ARG A 86 -5.726 1.856 -7.130 1.00 0.00 O ATOM 958 CB ARG A 86 -4.138 4.572 -6.533 1.00 0.00 C ATOM 959 CG ARG A 86 -3.868 5.576 -7.669 1.00 0.00 C ATOM 960 CD ARG A 86 -4.813 6.769 -7.446 1.00 0.00 C ATOM 961 NE ARG A 86 -4.533 8.037 -8.130 1.00 0.00 N ATOM 962 CZ ARG A 86 -5.379 9.039 -7.944 1.00 0.00 C ATOM 963 NH1 ARG A 86 -6.669 8.873 -7.895 1.00 0.00 N ATOM 964 NH2 ARG A 86 -4.973 10.242 -7.690 1.00 0.00 N ATOM 0 H ARG A 86 -5.759 4.757 -4.401 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.158 4.290 -7.309 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.825 5.024 -5.592 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.509 3.696 -6.690 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.827 5.901 -7.658 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.049 5.117 -8.641 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.815 6.453 -7.736 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.840 6.972 -6.375 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.714 8.143 -8.729 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.068 7.940 -8.002 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.281 9.676 -7.750 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.974 10.441 -7.628 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.652 10.991 -7.552 1.00 0.00 H new ATOM 978 N LEU A 87 -5.710 2.178 -4.894 1.00 0.00 N ATOM 979 CA LEU A 87 -5.710 0.803 -4.452 1.00 0.00 C ATOM 980 C LEU A 87 -6.912 0.496 -3.541 1.00 0.00 C ATOM 981 O LEU A 87 -7.032 -0.616 -3.039 1.00 0.00 O ATOM 982 CB LEU A 87 -4.387 0.526 -3.719 1.00 0.00 C ATOM 983 CG LEU A 87 -3.156 0.358 -4.600 1.00 0.00 C ATOM 984 CD1 LEU A 87 -2.743 1.601 -5.339 1.00 0.00 C ATOM 985 CD2 LEU A 87 -1.978 -0.181 -3.793 1.00 0.00 C ATOM 0 H LEU A 87 -5.739 2.833 -4.112 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.801 0.151 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.202 1.345 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.508 -0.378 -3.122 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.451 -0.364 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.859 1.390 -5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.556 1.925 -5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.515 2.391 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.111 -0.292 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.740 0.514 -2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.240 -1.151 -3.370 1.00 0.00 H new ATOM 997 N ASN A 88 -7.815 1.452 -3.316 1.00 0.00 N ATOM 998 CA ASN A 88 -8.936 1.231 -2.411 1.00 0.00 C ATOM 999 C ASN A 88 -10.034 0.347 -3.025 1.00 0.00 C ATOM 1000 O ASN A 88 -10.928 0.830 -3.725 1.00 0.00 O ATOM 1001 CB ASN A 88 -9.457 2.555 -1.850 1.00 0.00 C ATOM 1002 CG ASN A 88 -10.389 2.303 -0.690 1.00 0.00 C ATOM 1003 OD1 ASN A 88 -10.249 1.343 0.047 1.00 0.00 O ATOM 1004 ND2 ASN A 88 -11.364 3.149 -0.494 1.00 0.00 N ATOM 0 H ASN A 88 -7.790 2.377 -3.745 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.565 0.656 -1.562 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.621 3.174 -1.525 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.979 3.108 -2.631 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -12.014 3.008 0.280 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.476 3.951 -1.114 1.00 0.00 H new ATOM 1011 N ASN A 89 -9.946 -0.953 -2.742 1.00 0.00 N ATOM 1012 CA ASN A 89 -10.826 -2.024 -3.207 1.00 0.00 C ATOM 1013 C ASN A 89 -10.618 -2.318 -4.706 1.00 0.00 C ATOM 1014 O ASN A 89 -11.539 -2.248 -5.521 1.00 0.00 O ATOM 1015 CB ASN A 89 -12.251 -1.822 -2.664 1.00 0.00 C ATOM 1016 CG ASN A 89 -13.021 -3.130 -2.628 1.00 0.00 C ATOM 1017 OD1 ASN A 89 -13.858 -3.424 -3.466 1.00 0.00 O ATOM 1018 ND2 ASN A 89 -12.752 -3.964 -1.643 1.00 0.00 N ATOM 0 H ASN A 89 -9.205 -1.310 -2.139 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.555 -2.988 -2.776 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -12.203 -1.399 -1.661 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -12.781 -1.103 -3.288 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.244 -4.856 -1.581 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -12.052 -3.718 -0.943 1.00 0.00 H new ATOM 1025 N ILE A 90 -9.358 -2.625 -5.045 1.00 0.00 N ATOM 1026 CA ILE A 90 -8.858 -2.962 -6.400 1.00 0.00 C ATOM 1027 C ILE A 90 -8.498 -4.439 -6.457 1.00 0.00 C ATOM 1028 O ILE A 90 -8.113 -5.014 -5.448 1.00 0.00 O ATOM 1029 CB ILE A 90 -7.614 -2.115 -6.780 1.00 0.00 C ATOM 1030 CG1 ILE A 90 -6.357 -2.428 -5.936 1.00 0.00 C ATOM 1031 CG2 ILE A 90 -8.027 -0.639 -6.770 1.00 0.00 C ATOM 1032 CD1 ILE A 90 -5.061 -2.118 -6.673 1.00 0.00 C ATOM 0 H ILE A 90 -8.614 -2.648 -4.348 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.651 -2.738 -7.114 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.289 -2.386 -7.785 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.392 -1.850 -5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.367 -3.481 -5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.170 -0.020 -7.034 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.826 -0.480 -7.494 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.379 -0.366 -5.775 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.212 -2.357 -6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.008 -2.715 -7.583 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.034 -1.059 -6.931 1.00 0.00 H new ATOM 1044 N GLU A 91 -8.541 -5.046 -7.641 1.00 0.00 N ATOM 1045 CA GLU A 91 -8.121 -6.436 -7.830 1.00 0.00 C ATOM 1046 C GLU A 91 -6.627 -6.535 -8.200 1.00 0.00 C ATOM 1047 O GLU A 91 -6.180 -6.270 -9.314 1.00 0.00 O ATOM 1048 CB GLU A 91 -9.055 -7.152 -8.799 1.00 0.00 C ATOM 1049 CG GLU A 91 -8.922 -8.676 -8.755 1.00 0.00 C ATOM 1050 CD GLU A 91 -9.673 -9.347 -9.918 1.00 0.00 C ATOM 1051 OE1 GLU A 91 -10.928 -9.299 -9.950 1.00 0.00 O ATOM 1052 OE2 GLU A 91 -9.015 -9.939 -10.811 1.00 0.00 O ATOM 0 H GLU A 91 -8.866 -4.592 -8.494 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.209 -6.964 -6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.085 -6.878 -8.570 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.851 -6.806 -9.812 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.868 -8.951 -8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.312 -9.048 -7.807 1.00 0.00 H new ATOM 1059 N PHE A 92 -5.862 -6.914 -7.184 1.00 0.00 N ATOM 1060 CA PHE A 92 -4.441 -7.237 -7.134 1.00 0.00 C ATOM 1061 C PHE A 92 -4.120 -8.527 -7.908 1.00 0.00 C ATOM 1062 O PHE A 92 -3.928 -9.584 -7.298 1.00 0.00 O ATOM 1063 CB PHE A 92 -4.115 -7.356 -5.634 1.00 0.00 C ATOM 1064 CG PHE A 92 -2.695 -7.566 -5.130 1.00 0.00 C ATOM 1065 CD1 PHE A 92 -1.613 -7.912 -5.970 1.00 0.00 C ATOM 1066 CD2 PHE A 92 -2.469 -7.392 -3.756 1.00 0.00 C ATOM 1067 CE1 PHE A 92 -0.315 -8.002 -5.447 1.00 0.00 C ATOM 1068 CE2 PHE A 92 -1.174 -7.494 -3.228 1.00 0.00 C ATOM 1069 CZ PHE A 92 -0.096 -7.755 -4.081 1.00 0.00 C ATOM 0 H PHE A 92 -6.277 -7.015 -6.258 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.831 -6.472 -7.615 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.485 -6.447 -5.159 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.711 -8.183 -5.248 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.786 -8.108 -7.018 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.299 -7.178 -3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.513 -8.260 -6.091 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.009 -7.372 -2.168 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.910 -7.767 -3.688 1.00 0.00 H new ATOM 1079 N ARG A 93 -4.101 -8.456 -9.242 1.00 0.00 N ATOM 1080 CA ARG A 93 -3.821 -9.551 -10.212 1.00 0.00 C ATOM 1081 C ARG A 93 -4.696 -10.823 -10.109 1.00 0.00 C ATOM 1082 O ARG A 93 -4.592 -11.704 -10.966 1.00 0.00 O ATOM 1083 CB ARG A 93 -2.333 -9.964 -10.142 1.00 0.00 C ATOM 1084 CG ARG A 93 -1.301 -8.845 -10.353 1.00 0.00 C ATOM 1085 CD ARG A 93 0.075 -9.508 -10.563 1.00 0.00 C ATOM 1086 NE ARG A 93 1.208 -8.572 -10.691 1.00 0.00 N ATOM 1087 CZ ARG A 93 1.466 -7.721 -11.663 1.00 0.00 C ATOM 1088 NH1 ARG A 93 0.616 -7.364 -12.579 1.00 0.00 N ATOM 1089 NH2 ARG A 93 2.636 -7.177 -11.740 1.00 0.00 N ATOM 0 H ARG A 93 -4.293 -7.575 -9.720 1.00 0.00 H new ATOM 0 HA ARG A 93 -4.084 -9.106 -11.172 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -2.150 -10.418 -9.168 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.157 -10.736 -10.891 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.568 -8.237 -11.217 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.277 -8.180 -9.490 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.270 -10.178 -9.725 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.030 -10.125 -11.460 1.00 0.00 H new ATOM 0 HE ARG A 93 1.881 -8.585 -9.925 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.328 -7.750 -12.577 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.893 -6.698 -13.300 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.352 -7.408 -11.051 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.843 -6.517 -12.490 1.00 0.00 H new ATOM 1103 N GLY A 94 -5.531 -10.940 -9.083 1.00 0.00 N ATOM 1104 CA GLY A 94 -6.262 -12.149 -8.694 1.00 0.00 C ATOM 1105 C GLY A 94 -6.735 -12.137 -7.236 1.00 0.00 C ATOM 1106 O GLY A 94 -7.697 -12.839 -6.911 1.00 0.00 O ATOM 0 H GLY A 94 -5.730 -10.154 -8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.127 -12.267 -9.347 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.622 -13.017 -8.853 1.00 0.00 H new ATOM 1110 N SER A 95 -6.113 -11.337 -6.356 1.00 0.00 N ATOM 1111 CA SER A 95 -6.626 -11.023 -5.027 1.00 0.00 C ATOM 1112 C SER A 95 -7.272 -9.645 -5.162 1.00 0.00 C ATOM 1113 O SER A 95 -7.246 -9.039 -6.231 1.00 0.00 O ATOM 1114 CB SER A 95 -5.467 -10.984 -4.017 1.00 0.00 C ATOM 1115 OG SER A 95 -4.946 -12.283 -3.813 1.00 0.00 O ATOM 0 H SER A 95 -5.222 -10.885 -6.559 1.00 0.00 H new ATOM 0 HA SER A 95 -7.339 -11.766 -4.669 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.681 -10.323 -4.382 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.815 -10.572 -3.070 1.00 0.00 H new ATOM 0 HG SER A 95 -4.208 -12.242 -3.169 1.00 0.00 H new ATOM 1121 N VAL A 96 -7.813 -9.089 -4.093 1.00 0.00 N ATOM 1122 CA VAL A 96 -8.249 -7.679 -4.054 1.00 0.00 C ATOM 1123 C VAL A 96 -7.903 -7.127 -2.674 1.00 0.00 C ATOM 1124 O VAL A 96 -7.997 -7.855 -1.687 1.00 0.00 O ATOM 1125 CB VAL A 96 -9.734 -7.439 -4.465 1.00 0.00 C ATOM 1126 CG1 VAL A 96 -10.563 -8.710 -4.572 1.00 0.00 C ATOM 1127 CG2 VAL A 96 -10.506 -6.374 -3.676 1.00 0.00 C ATOM 0 H VAL A 96 -7.969 -9.592 -3.219 1.00 0.00 H new ATOM 0 HA VAL A 96 -7.709 -7.128 -4.824 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.599 -7.023 -5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.583 -8.456 -4.862 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.125 -9.368 -5.323 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.576 -9.218 -3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.524 -6.304 -4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.533 -6.650 -2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.010 -5.409 -3.786 1.00 0.00 H new ATOM 1137 N ILE A 97 -7.527 -5.851 -2.606 1.00 0.00 N ATOM 1138 CA ILE A 97 -7.150 -5.121 -1.387 1.00 0.00 C ATOM 1139 C ILE A 97 -7.962 -3.835 -1.266 1.00 0.00 C ATOM 1140 O ILE A 97 -8.210 -3.159 -2.258 1.00 0.00 O ATOM 1141 CB ILE A 97 -5.643 -4.763 -1.344 1.00 0.00 C ATOM 1142 CG1 ILE A 97 -5.113 -4.300 -2.713 1.00 0.00 C ATOM 1143 CG2 ILE A 97 -4.826 -5.928 -0.761 1.00 0.00 C ATOM 1144 CD1 ILE A 97 -3.700 -3.711 -2.686 1.00 0.00 C ATOM 0 H ILE A 97 -7.473 -5.265 -3.439 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.363 -5.789 -0.552 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.523 -3.910 -0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.126 -5.148 -3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.796 -3.553 -3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.770 -5.657 -0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.167 -6.140 0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.961 -6.813 -1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.411 -3.413 -3.694 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.681 -2.840 -2.030 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.001 -4.460 -2.315 1.00 0.00 H new ATOM 1156 N THR A 98 -8.319 -3.488 -0.033 1.00 0.00 N ATOM 1157 CA THR A 98 -8.901 -2.213 0.403 1.00 0.00 C ATOM 1158 C THR A 98 -7.805 -1.483 1.165 1.00 0.00 C ATOM 1159 O THR A 98 -6.989 -2.132 1.831 1.00 0.00 O ATOM 1160 CB THR A 98 -10.068 -2.471 1.358 1.00 0.00 C ATOM 1161 OG1 THR A 98 -11.016 -3.335 0.756 1.00 0.00 O ATOM 1162 CG2 THR A 98 -10.834 -1.227 1.799 1.00 0.00 C ATOM 0 H THR A 98 -8.203 -4.134 0.748 1.00 0.00 H new ATOM 0 HA THR A 98 -9.265 -1.639 -0.449 1.00 0.00 H new ATOM 0 HB THR A 98 -9.595 -2.905 2.239 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.756 -3.493 1.378 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.640 -1.516 2.473 1.00 0.00 H new ATOM 0 HG22 THR A 98 -10.156 -0.546 2.314 1.00 0.00 H new ATOM 0 HG23 THR A 98 -11.253 -0.729 0.925 1.00 0.00 H new ATOM 1170 N VAL A 99 -7.738 -0.154 1.076 1.00 0.00 N ATOM 1171 CA VAL A 99 -6.603 0.595 1.636 1.00 0.00 C ATOM 1172 C VAL A 99 -7.024 1.907 2.267 1.00 0.00 C ATOM 1173 O VAL A 99 -7.987 2.557 1.856 1.00 0.00 O ATOM 1174 CB VAL A 99 -5.470 0.826 0.624 1.00 0.00 C ATOM 1175 CG1 VAL A 99 -5.117 -0.432 -0.161 1.00 0.00 C ATOM 1176 CG2 VAL A 99 -5.831 1.903 -0.370 1.00 0.00 C ATOM 0 H VAL A 99 -8.447 0.425 0.627 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.208 -0.046 2.424 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.609 1.129 1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.311 -0.210 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.795 -1.212 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.993 -0.774 -0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.008 2.041 -1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.727 1.609 -0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.018 2.838 0.158 1.00 0.00 H new ATOM 1186 N GLU A 100 -6.268 2.301 3.278 1.00 0.00 N ATOM 1187 CA GLU A 100 -6.614 3.430 4.143 1.00 0.00 C ATOM 1188 C GLU A 100 -5.445 3.853 5.009 1.00 0.00 C ATOM 1189 O GLU A 100 -4.525 3.082 5.262 1.00 0.00 O ATOM 1190 CB GLU A 100 -7.781 3.029 5.074 1.00 0.00 C ATOM 1191 CG GLU A 100 -7.554 1.836 6.024 1.00 0.00 C ATOM 1192 CD GLU A 100 -7.630 0.462 5.337 1.00 0.00 C ATOM 1193 OE1 GLU A 100 -8.706 0.094 4.805 1.00 0.00 O ATOM 1194 OE2 GLU A 100 -6.668 -0.326 5.450 1.00 0.00 O ATOM 0 H GLU A 100 -5.390 1.847 3.528 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.894 4.262 3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.042 3.897 5.680 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.646 2.803 4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.576 1.941 6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.297 1.873 6.821 1.00 0.00 H new ATOM 1201 N ARG A 101 -5.507 5.081 5.518 1.00 0.00 N ATOM 1202 CA ARG A 101 -4.629 5.540 6.596 1.00 0.00 C ATOM 1203 C ARG A 101 -4.788 4.609 7.805 1.00 0.00 C ATOM 1204 O ARG A 101 -5.908 4.242 8.165 1.00 0.00 O ATOM 1205 CB ARG A 101 -4.960 7.011 6.878 1.00 0.00 C ATOM 1206 CG ARG A 101 -6.391 7.246 7.395 1.00 0.00 C ATOM 1207 CD ARG A 101 -6.728 8.734 7.586 1.00 0.00 C ATOM 1208 NE ARG A 101 -6.541 9.194 8.979 1.00 0.00 N ATOM 1209 CZ ARG A 101 -7.202 8.826 10.063 1.00 0.00 C ATOM 1210 NH1 ARG A 101 -8.207 7.999 10.063 1.00 0.00 N ATOM 1211 NH2 ARG A 101 -6.828 9.257 11.221 1.00 0.00 N ATOM 0 H ARG A 101 -6.168 5.788 5.196 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.574 5.496 6.326 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.252 7.397 7.612 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.817 7.586 5.963 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -7.101 6.806 6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.517 6.726 8.345 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -6.100 9.331 6.925 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -7.762 8.908 7.287 1.00 0.00 H new ATOM 0 HE ARG A 101 -5.805 9.886 9.122 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -8.531 7.590 9.187 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -8.671 7.760 10.939 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -6.024 9.880 11.298 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -7.336 8.974 12.059 1.00 0.00 H new ATOM 1225 N ASP A 102 -3.689 4.231 8.454 1.00 0.00 N ATOM 1226 CA ASP A 102 -3.668 3.340 9.629 1.00 0.00 C ATOM 1227 C ASP A 102 -3.995 4.139 10.913 1.00 0.00 C ATOM 1228 O ASP A 102 -3.236 4.195 11.881 1.00 0.00 O ATOM 1229 CB ASP A 102 -2.340 2.566 9.672 1.00 0.00 C ATOM 1230 CG ASP A 102 -2.355 1.348 10.614 1.00 0.00 C ATOM 1231 OD1 ASP A 102 -3.345 0.576 10.639 1.00 0.00 O ATOM 1232 OD2 ASP A 102 -1.326 1.086 11.283 1.00 0.00 O ATOM 0 H ASP A 102 -2.758 4.541 8.175 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.450 2.584 9.554 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -2.094 2.230 8.665 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.546 3.244 9.984 1.00 0.00 H new