USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 674 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 10 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 54 LYS NZ :NH3+ -146:sc= 0.58 (180deg=0) USER MOD Set 1.3: A 81 THR OG1 : rot -150:sc= 0.528 USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.00871 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 4 MET CE :methyl 160:sc= -0.0497 (180deg=-0.369) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 14 GLN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 33 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc=-0.00702 X(o=-0.007,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.059 K(o=0.059,f=-2.6) USER MOD Single : A 58 THR OG1 : rot 87:sc= 1.32 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0832 USER MOD Single : A 62 HIS : no HD1:sc= -0.197 X(o=-0.2,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0581 X(o=-0.058,f=-0.52) USER MOD Single : A 65 HIS : no HE2:sc= -6.9! C(o=-6.6!,f=-9.3!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 90:sc= 0.107 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.028 X(o=-0.028,f=-0.34) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.069 3.919 -11.423 1.00 0.00 N ATOM 2 CA GLY A 1 18.527 5.137 -12.086 1.00 0.00 C ATOM 3 C GLY A 1 18.057 6.180 -11.089 1.00 0.00 C ATOM 4 O GLY A 1 17.534 5.841 -10.029 1.00 0.00 O ATOM 0 H1 GLY A 1 18.664 3.071 -11.870 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.104 3.902 -11.522 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.818 3.932 -10.414 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.295 5.571 -12.726 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.695 4.856 -12.732 1.00 0.00 H new ATOM 10 N SER A 2 18.247 7.450 -11.431 1.00 0.00 N ATOM 11 CA SER A 2 17.840 8.545 -10.557 1.00 0.00 C ATOM 12 C SER A 2 16.553 9.192 -11.061 1.00 0.00 C ATOM 13 O SER A 2 15.996 8.780 -12.077 1.00 0.00 O ATOM 14 CB SER A 2 18.951 9.594 -10.469 1.00 0.00 C ATOM 15 OG SER A 2 19.841 9.303 -9.405 1.00 0.00 O ATOM 0 H SER A 2 18.680 7.746 -12.306 1.00 0.00 H new ATOM 0 HA SER A 2 17.656 8.136 -9.564 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.501 9.626 -11.409 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.513 10.581 -10.322 1.00 0.00 H new ATOM 0 HG SER A 2 20.543 9.986 -9.370 1.00 0.00 H new ATOM 21 N HIS A 3 16.087 10.206 -10.339 1.00 0.00 N ATOM 22 CA HIS A 3 14.864 10.910 -10.711 1.00 0.00 C ATOM 23 C HIS A 3 14.874 12.337 -10.171 1.00 0.00 C ATOM 24 O HIS A 3 15.873 12.795 -9.618 1.00 0.00 O ATOM 25 CB HIS A 3 13.639 10.159 -10.189 1.00 0.00 C ATOM 26 CG HIS A 3 12.911 9.392 -11.248 1.00 0.00 C ATOM 27 ND1 HIS A 3 13.142 8.057 -11.506 1.00 0.00 N ATOM 28 CD2 HIS A 3 11.951 9.779 -12.121 1.00 0.00 C ATOM 29 CE1 HIS A 3 12.356 7.656 -12.489 1.00 0.00 C ATOM 30 NE2 HIS A 3 11.623 8.682 -12.879 1.00 0.00 N ATOM 0 H HIS A 3 16.537 10.559 -9.494 1.00 0.00 H new ATOM 0 HA HIS A 3 14.814 10.954 -11.799 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.952 9.471 -9.404 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.953 10.872 -9.732 1.00 0.00 H new ATOM 0 HD2 HIS A 3 11.523 10.767 -12.205 1.00 0.00 H new ATOM 0 HE1 HIS A 3 12.319 6.659 -12.903 1.00 0.00 H new ATOM 0 HE2 HIS A 3 10.926 8.663 -13.623 1.00 0.00 H new ATOM 39 N MET A 4 13.754 13.033 -10.334 1.00 0.00 N ATOM 40 CA MET A 4 13.632 14.407 -9.862 1.00 0.00 C ATOM 41 C MET A 4 13.310 14.445 -8.372 1.00 0.00 C ATOM 42 O MET A 4 13.714 15.366 -7.662 1.00 0.00 O ATOM 43 CB MET A 4 12.546 15.146 -10.648 1.00 0.00 C ATOM 44 CG MET A 4 13.062 15.827 -11.904 1.00 0.00 C ATOM 45 SD MET A 4 12.825 14.827 -13.385 1.00 0.00 S ATOM 46 CE MET A 4 11.045 14.917 -13.573 1.00 0.00 C ATOM 0 H MET A 4 12.918 12.668 -10.790 1.00 0.00 H new ATOM 0 HA MET A 4 14.589 14.904 -10.022 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.764 14.439 -10.923 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.087 15.894 -10.002 1.00 0.00 H new ATOM 0 HG2 MET A 4 12.552 16.782 -12.030 1.00 0.00 H new ATOM 0 HG3 MET A 4 14.123 16.046 -11.784 1.00 0.00 H new ATOM 0 HE1 MET A 4 10.774 14.668 -14.599 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.571 14.211 -12.891 1.00 0.00 H new ATOM 0 HE3 MET A 4 10.706 15.927 -13.344 1.00 0.00 H new ATOM 56 N GLY A 5 12.582 13.436 -7.903 1.00 0.00 N ATOM 57 CA GLY A 5 12.219 13.372 -6.500 1.00 0.00 C ATOM 58 C GLY A 5 10.844 12.771 -6.282 1.00 0.00 C ATOM 59 O GLY A 5 10.583 12.165 -5.244 1.00 0.00 O ATOM 0 H GLY A 5 12.237 12.662 -8.470 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.960 12.780 -5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.245 14.376 -6.075 1.00 0.00 H new ATOM 63 N LEU A 6 9.966 12.937 -7.264 1.00 0.00 N ATOM 64 CA LEU A 6 8.610 12.406 -7.176 1.00 0.00 C ATOM 65 C LEU A 6 8.464 11.143 -8.017 1.00 0.00 C ATOM 66 O LEU A 6 8.256 11.212 -9.229 1.00 0.00 O ATOM 67 CB LEU A 6 7.597 13.458 -7.634 1.00 0.00 C ATOM 68 CG LEU A 6 6.235 13.386 -6.943 1.00 0.00 C ATOM 69 CD1 LEU A 6 6.350 13.811 -5.488 1.00 0.00 C ATOM 70 CD2 LEU A 6 5.222 14.255 -7.675 1.00 0.00 C ATOM 0 H LEU A 6 10.168 13.435 -8.131 1.00 0.00 H new ATOM 0 HA LEU A 6 8.414 12.151 -6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.022 14.448 -7.465 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.448 13.354 -8.709 1.00 0.00 H new ATOM 0 HG LEU A 6 5.889 12.353 -6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.370 13.753 -5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.044 13.150 -4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.718 14.836 -5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.258 14.193 -7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.564 15.290 -7.677 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.118 13.905 -8.702 1.00 0.00 H new ATOM 82 N VAL A 7 8.576 9.990 -7.367 1.00 0.00 N ATOM 83 CA VAL A 7 8.455 8.710 -8.056 1.00 0.00 C ATOM 84 C VAL A 7 7.248 7.927 -7.552 1.00 0.00 C ATOM 85 O VAL A 7 7.116 7.672 -6.355 1.00 0.00 O ATOM 86 CB VAL A 7 9.721 7.852 -7.873 1.00 0.00 C ATOM 87 CG1 VAL A 7 10.893 8.460 -8.629 1.00 0.00 C ATOM 88 CG2 VAL A 7 10.052 7.696 -6.396 1.00 0.00 C ATOM 0 H VAL A 7 8.750 9.915 -6.365 1.00 0.00 H new ATOM 0 HA VAL A 7 8.325 8.932 -9.115 1.00 0.00 H new ATOM 0 HB VAL A 7 9.529 6.861 -8.285 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.778 7.840 -8.488 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.653 8.513 -9.691 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.089 9.463 -8.251 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.949 7.087 -6.287 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.224 8.678 -5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.220 7.211 -5.886 1.00 0.00 H new ATOM 98 N GLN A 8 6.369 7.549 -8.473 1.00 0.00 N ATOM 99 CA GLN A 8 5.171 6.794 -8.123 1.00 0.00 C ATOM 100 C GLN A 8 5.145 5.449 -8.842 1.00 0.00 C ATOM 101 O GLN A 8 5.597 5.333 -9.981 1.00 0.00 O ATOM 102 CB GLN A 8 3.915 7.597 -8.474 1.00 0.00 C ATOM 103 CG GLN A 8 3.344 8.378 -7.302 1.00 0.00 C ATOM 104 CD GLN A 8 2.568 9.605 -7.741 1.00 0.00 C ATOM 105 OE1 GLN A 8 2.042 9.654 -8.853 1.00 0.00 O ATOM 106 NE2 GLN A 8 2.496 10.602 -6.868 1.00 0.00 N ATOM 0 H GLN A 8 6.463 7.753 -9.468 1.00 0.00 H new ATOM 0 HA GLN A 8 5.189 6.611 -7.049 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.151 8.290 -9.281 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.152 6.916 -8.852 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.690 7.728 -6.721 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.157 8.683 -6.643 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.948 10.516 -5.958 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.989 11.454 -7.107 1.00 0.00 H new ATOM 115 N ARG A 9 4.615 4.433 -8.169 1.00 0.00 N ATOM 116 CA ARG A 9 4.530 3.096 -8.743 1.00 0.00 C ATOM 117 C ARG A 9 3.228 2.413 -8.338 1.00 0.00 C ATOM 118 O ARG A 9 2.847 2.424 -7.166 1.00 0.00 O ATOM 119 CB ARG A 9 5.725 2.251 -8.298 1.00 0.00 C ATOM 120 CG ARG A 9 6.274 1.350 -9.392 1.00 0.00 C ATOM 121 CD ARG A 9 7.642 0.797 -9.024 1.00 0.00 C ATOM 122 NE ARG A 9 8.633 1.857 -8.849 1.00 0.00 N ATOM 123 CZ ARG A 9 9.247 2.471 -9.858 1.00 0.00 C ATOM 124 NH1 ARG A 9 8.976 2.134 -11.113 1.00 0.00 N ATOM 125 NH2 ARG A 9 10.135 3.424 -9.611 1.00 0.00 N ATOM 0 H ARG A 9 4.238 4.511 -7.225 1.00 0.00 H new ATOM 0 HA ARG A 9 4.546 3.191 -9.829 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.519 2.913 -7.952 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.429 1.637 -7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.582 0.526 -9.567 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.346 1.910 -10.324 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.563 0.219 -8.103 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.978 0.112 -9.803 1.00 0.00 H new ATOM 0 HE ARG A 9 8.868 2.143 -7.898 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.294 1.401 -11.308 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.450 2.608 -11.882 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.347 3.686 -8.648 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.606 3.895 -10.384 1.00 0.00 H new ATOM 139 N CYS A 10 2.549 1.819 -9.313 1.00 0.00 N ATOM 140 CA CYS A 10 1.289 1.131 -9.058 1.00 0.00 C ATOM 141 C CYS A 10 1.535 -0.249 -8.454 1.00 0.00 C ATOM 142 O CYS A 10 2.199 -1.091 -9.056 1.00 0.00 O ATOM 143 CB CYS A 10 0.484 0.999 -10.354 1.00 0.00 C ATOM 144 SG CYS A 10 -1.268 1.409 -10.178 1.00 0.00 S ATOM 0 H CYS A 10 2.850 1.800 -10.287 1.00 0.00 H new ATOM 0 HA CYS A 10 0.718 1.724 -8.343 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.924 1.649 -11.111 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.572 -0.023 -10.721 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.864 1.270 -11.325 1.00 0.00 H new ATOM 150 N VAL A 11 0.993 -0.471 -7.260 1.00 0.00 N ATOM 151 CA VAL A 11 1.154 -1.747 -6.574 1.00 0.00 C ATOM 152 C VAL A 11 -0.184 -2.469 -6.437 1.00 0.00 C ATOM 153 O VAL A 11 -1.115 -1.957 -5.816 1.00 0.00 O ATOM 154 CB VAL A 11 1.777 -1.561 -5.177 1.00 0.00 C ATOM 155 CG1 VAL A 11 0.870 -0.721 -4.290 1.00 0.00 C ATOM 156 CG2 VAL A 11 2.067 -2.909 -4.535 1.00 0.00 C ATOM 0 H VAL A 11 0.439 0.216 -6.749 1.00 0.00 H new ATOM 0 HA VAL A 11 1.827 -2.352 -7.182 1.00 0.00 H new ATOM 0 HB VAL A 11 2.722 -1.030 -5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.329 -0.602 -3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.724 0.259 -4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.094 -1.218 -4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.507 -2.756 -3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.139 -3.472 -4.435 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.764 -3.467 -5.160 1.00 0.00 H new ATOM 166 N ILE A 12 -0.270 -3.660 -7.021 1.00 0.00 N ATOM 167 CA ILE A 12 -1.493 -4.452 -6.962 1.00 0.00 C ATOM 168 C ILE A 12 -1.334 -5.640 -6.020 1.00 0.00 C ATOM 169 O ILE A 12 -0.668 -6.623 -6.351 1.00 0.00 O ATOM 170 CB ILE A 12 -1.895 -4.969 -8.357 1.00 0.00 C ATOM 171 CG1 ILE A 12 -1.865 -3.828 -9.375 1.00 0.00 C ATOM 172 CG2 ILE A 12 -3.275 -5.607 -8.308 1.00 0.00 C ATOM 173 CD1 ILE A 12 -1.933 -4.300 -10.812 1.00 0.00 C ATOM 0 H ILE A 12 0.492 -4.097 -7.540 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.277 -3.795 -6.585 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.177 -5.728 -8.668 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.701 -3.157 -9.181 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.952 -3.249 -9.234 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.545 -5.967 -9.301 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.265 -6.443 -7.609 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.006 -4.868 -7.979 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.907 -3.439 -11.479 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.082 -4.948 -11.023 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.859 -4.854 -10.970 1.00 0.00 H new ATOM 185 N ILE A 13 -1.948 -5.545 -4.846 1.00 0.00 N ATOM 186 CA ILE A 13 -1.874 -6.613 -3.857 1.00 0.00 C ATOM 187 C ILE A 13 -2.977 -7.641 -4.076 1.00 0.00 C ATOM 188 O ILE A 13 -4.143 -7.288 -4.253 1.00 0.00 O ATOM 189 CB ILE A 13 -1.980 -6.061 -2.421 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.004 -4.900 -2.219 1.00 0.00 C ATOM 191 CG2 ILE A 13 -1.714 -7.165 -1.408 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.620 -3.710 -1.516 1.00 0.00 C ATOM 0 H ILE A 13 -2.502 -4.739 -4.556 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.903 -7.092 -3.982 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.993 -5.688 -2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.149 -5.251 -1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.624 -4.582 -3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.792 -6.760 -0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.447 -7.962 -1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.712 -7.566 -1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.872 -2.925 -1.406 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.457 -3.334 -2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.975 -4.013 -0.531 1.00 0.00 H new ATOM 204 N GLN A 14 -2.602 -8.917 -4.065 1.00 0.00 N ATOM 205 CA GLN A 14 -3.560 -9.997 -4.262 1.00 0.00 C ATOM 206 C GLN A 14 -3.925 -10.650 -2.933 1.00 0.00 C ATOM 207 O GLN A 14 -3.065 -11.194 -2.240 1.00 0.00 O ATOM 208 CB GLN A 14 -2.990 -11.045 -5.220 1.00 0.00 C ATOM 209 CG GLN A 14 -2.447 -10.457 -6.512 1.00 0.00 C ATOM 210 CD GLN A 14 -1.219 -11.190 -7.017 1.00 0.00 C ATOM 211 OE1 GLN A 14 -0.262 -10.572 -7.483 1.00 0.00 O ATOM 212 NE2 GLN A 14 -1.243 -12.514 -6.926 1.00 0.00 N ATOM 0 H GLN A 14 -1.641 -9.227 -3.922 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.464 -9.572 -4.697 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.193 -11.591 -4.716 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.769 -11.769 -5.459 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.224 -10.489 -7.276 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.199 -9.408 -6.353 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.059 -12.983 -6.532 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.446 -13.062 -7.250 1.00 0.00 H new ATOM 221 N LYS A 15 -5.206 -10.594 -2.584 1.00 0.00 N ATOM 222 CA LYS A 15 -5.687 -11.180 -1.339 1.00 0.00 C ATOM 223 C LYS A 15 -5.580 -12.701 -1.375 1.00 0.00 C ATOM 224 O LYS A 15 -5.676 -13.315 -2.439 1.00 0.00 O ATOM 225 CB LYS A 15 -7.137 -10.766 -1.082 1.00 0.00 C ATOM 226 CG LYS A 15 -7.708 -11.315 0.215 1.00 0.00 C ATOM 227 CD LYS A 15 -8.831 -10.439 0.747 1.00 0.00 C ATOM 228 CE LYS A 15 -10.051 -11.263 1.125 1.00 0.00 C ATOM 229 NZ LYS A 15 -10.840 -11.667 -0.072 1.00 0.00 N ATOM 0 H LYS A 15 -5.930 -10.148 -3.147 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.061 -10.809 -0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.197 -9.678 -1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.755 -11.105 -1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.081 -12.326 0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.916 -11.385 0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.480 -9.886 1.618 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.108 -9.703 -0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.734 -12.153 1.668 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.684 -10.686 1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.663 -12.227 0.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.164 -10.818 -0.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.244 -12.239 -0.704 1.00 0.00 H new ATOM 243 N ASP A 16 -5.381 -13.305 -0.208 1.00 0.00 N ATOM 244 CA ASP A 16 -5.261 -14.755 -0.106 1.00 0.00 C ATOM 245 C ASP A 16 -6.415 -15.339 0.703 1.00 0.00 C ATOM 246 O ASP A 16 -7.357 -14.632 1.061 1.00 0.00 O ATOM 247 CB ASP A 16 -3.927 -15.134 0.538 1.00 0.00 C ATOM 248 CG ASP A 16 -2.740 -14.527 -0.186 1.00 0.00 C ATOM 249 OD1 ASP A 16 -2.817 -13.339 -0.561 1.00 0.00 O ATOM 250 OD2 ASP A 16 -1.733 -15.242 -0.377 1.00 0.00 O ATOM 0 H ASP A 16 -5.299 -12.812 0.681 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.300 -15.170 -1.113 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.922 -14.805 1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.827 -16.219 0.547 1.00 0.00 H new ATOM 255 N ASP A 17 -6.333 -16.634 0.989 1.00 0.00 N ATOM 256 CA ASP A 17 -7.371 -17.315 1.755 1.00 0.00 C ATOM 257 C ASP A 17 -7.528 -16.687 3.136 1.00 0.00 C ATOM 258 O ASP A 17 -8.621 -16.673 3.702 1.00 0.00 O ATOM 259 CB ASP A 17 -7.039 -18.802 1.893 1.00 0.00 C ATOM 260 CG ASP A 17 -7.612 -19.629 0.760 1.00 0.00 C ATOM 261 OD1 ASP A 17 -8.840 -19.568 0.541 1.00 0.00 O ATOM 262 OD2 ASP A 17 -6.832 -20.341 0.091 1.00 0.00 O ATOM 0 H ASP A 17 -5.559 -17.233 0.702 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.313 -17.208 1.218 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.957 -18.929 1.921 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.428 -19.172 2.842 1.00 0.00 H new ATOM 267 N ASN A 18 -6.429 -16.167 3.673 1.00 0.00 N ATOM 268 CA ASN A 18 -6.446 -15.537 4.988 1.00 0.00 C ATOM 269 C ASN A 18 -6.830 -14.064 4.882 1.00 0.00 C ATOM 270 O ASN A 18 -7.699 -13.586 5.610 1.00 0.00 O ATOM 271 CB ASN A 18 -5.077 -15.672 5.658 1.00 0.00 C ATOM 272 CG ASN A 18 -4.925 -16.981 6.408 1.00 0.00 C ATOM 273 OD1 ASN A 18 -4.037 -17.779 6.112 1.00 0.00 O ATOM 274 ND2 ASN A 18 -5.796 -17.208 7.385 1.00 0.00 N ATOM 0 H ASN A 18 -5.516 -16.169 3.218 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.194 -16.045 5.597 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.296 -15.598 4.901 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.931 -14.842 6.349 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.744 -18.072 7.924 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.517 -16.518 7.596 1.00 0.00 H new ATOM 281 N GLY A 19 -6.175 -13.351 3.972 1.00 0.00 N ATOM 282 CA GLY A 19 -6.461 -11.940 3.787 1.00 0.00 C ATOM 283 C GLY A 19 -5.202 -11.108 3.652 1.00 0.00 C ATOM 284 O GLY A 19 -4.091 -11.625 3.774 1.00 0.00 O ATOM 0 H GLY A 19 -5.451 -13.725 3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.076 -11.811 2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.044 -11.576 4.633 1.00 0.00 H new ATOM 288 N PHE A 20 -5.373 -9.815 3.397 1.00 0.00 N ATOM 289 CA PHE A 20 -4.240 -8.910 3.243 1.00 0.00 C ATOM 290 C PHE A 20 -3.455 -8.794 4.544 1.00 0.00 C ATOM 291 O PHE A 20 -3.917 -8.180 5.508 1.00 0.00 O ATOM 292 CB PHE A 20 -4.722 -7.528 2.797 1.00 0.00 C ATOM 293 CG PHE A 20 -5.164 -7.481 1.363 1.00 0.00 C ATOM 294 CD1 PHE A 20 -4.398 -8.067 0.369 1.00 0.00 C ATOM 295 CD2 PHE A 20 -6.347 -6.852 1.009 1.00 0.00 C ATOM 296 CE1 PHE A 20 -4.801 -8.025 -0.952 1.00 0.00 C ATOM 297 CE2 PHE A 20 -6.757 -6.807 -0.309 1.00 0.00 C ATOM 298 CZ PHE A 20 -5.983 -7.395 -1.292 1.00 0.00 C ATOM 0 H PHE A 20 -6.285 -9.370 3.293 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.580 -9.320 2.479 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.550 -7.218 3.434 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.918 -6.807 2.945 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.475 -8.563 0.630 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.956 -6.391 1.773 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.193 -8.484 -1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.681 -6.313 -0.571 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.301 -7.362 -2.323 1.00 0.00 H new ATOM 308 N GLY A 21 -2.266 -9.385 4.568 1.00 0.00 N ATOM 309 CA GLY A 21 -1.435 -9.337 5.755 1.00 0.00 C ATOM 310 C GLY A 21 -0.980 -7.930 6.088 1.00 0.00 C ATOM 311 O GLY A 21 -0.897 -7.557 7.258 1.00 0.00 O ATOM 0 H GLY A 21 -1.862 -9.898 3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.990 -9.746 6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.562 -9.973 5.609 1.00 0.00 H new ATOM 315 N LEU A 22 -0.683 -7.145 5.056 1.00 0.00 N ATOM 316 CA LEU A 22 -0.234 -5.771 5.245 1.00 0.00 C ATOM 317 C LEU A 22 -1.282 -4.954 5.991 1.00 0.00 C ATOM 318 O LEU A 22 -2.483 -5.120 5.774 1.00 0.00 O ATOM 319 CB LEU A 22 0.069 -5.121 3.894 1.00 0.00 C ATOM 320 CG LEU A 22 -1.146 -4.921 2.983 1.00 0.00 C ATOM 321 CD1 LEU A 22 -1.136 -3.528 2.372 1.00 0.00 C ATOM 322 CD2 LEU A 22 -1.177 -5.982 1.894 1.00 0.00 C ATOM 0 H LEU A 22 -0.745 -7.438 4.081 1.00 0.00 H new ATOM 0 HA LEU A 22 0.677 -5.792 5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.535 -4.151 4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.801 -5.735 3.369 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.047 -5.022 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.007 -3.407 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.165 -2.782 3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.229 -3.396 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.047 -5.824 1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.270 -5.914 1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.236 -6.970 2.350 1.00 0.00 H new ATOM 334 N THR A 23 -0.821 -4.072 6.870 1.00 0.00 N ATOM 335 CA THR A 23 -1.721 -3.228 7.649 1.00 0.00 C ATOM 336 C THR A 23 -1.496 -1.754 7.330 1.00 0.00 C ATOM 337 O THR A 23 -0.361 -1.312 7.150 1.00 0.00 O ATOM 338 CB THR A 23 -1.515 -3.473 9.145 1.00 0.00 C ATOM 339 OG1 THR A 23 -1.053 -4.792 9.378 1.00 0.00 O ATOM 340 CG2 THR A 23 -2.774 -3.276 9.962 1.00 0.00 C ATOM 0 H THR A 23 0.170 -3.922 7.062 1.00 0.00 H new ATOM 0 HA THR A 23 -2.745 -3.488 7.382 1.00 0.00 H new ATOM 0 HB THR A 23 -0.777 -2.735 9.460 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.926 -4.929 10.340 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.559 -3.465 11.014 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.129 -2.252 9.843 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.543 -3.968 9.619 1.00 0.00 H new ATOM 348 N VAL A 24 -2.587 -0.998 7.256 1.00 0.00 N ATOM 349 CA VAL A 24 -2.510 0.427 6.957 1.00 0.00 C ATOM 350 C VAL A 24 -3.072 1.261 8.104 1.00 0.00 C ATOM 351 O VAL A 24 -3.986 0.828 8.807 1.00 0.00 O ATOM 352 CB VAL A 24 -3.275 0.771 5.663 1.00 0.00 C ATOM 353 CG1 VAL A 24 -2.645 0.071 4.470 1.00 0.00 C ATOM 354 CG2 VAL A 24 -4.745 0.402 5.794 1.00 0.00 C ATOM 0 H VAL A 24 -3.534 -1.349 7.399 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.455 0.666 6.821 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.210 1.847 5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.198 0.325 3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.609 0.393 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.676 -1.008 4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.267 0.653 4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.836 -0.668 5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.187 0.956 6.622 1.00 0.00 H new ATOM 364 N SER A 25 -2.522 2.455 8.288 1.00 0.00 N ATOM 365 CA SER A 25 -2.971 3.346 9.352 1.00 0.00 C ATOM 366 C SER A 25 -2.797 4.807 8.948 1.00 0.00 C ATOM 367 O SER A 25 -1.737 5.204 8.461 1.00 0.00 O ATOM 368 CB SER A 25 -2.198 3.067 10.642 1.00 0.00 C ATOM 369 OG SER A 25 -2.898 3.557 11.772 1.00 0.00 O ATOM 0 H SER A 25 -1.765 2.829 7.715 1.00 0.00 H new ATOM 0 HA SER A 25 -4.031 3.158 9.524 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.036 1.994 10.748 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.215 3.534 10.589 1.00 0.00 H new ATOM 0 HG SER A 25 -2.384 3.365 12.584 1.00 0.00 H new ATOM 375 N GLY A 26 -3.842 5.600 9.151 1.00 0.00 N ATOM 376 CA GLY A 26 -3.783 7.008 8.803 1.00 0.00 C ATOM 377 C GLY A 26 -5.151 7.663 8.802 1.00 0.00 C ATOM 378 O GLY A 26 -6.053 7.231 8.086 1.00 0.00 O ATOM 0 H GLY A 26 -4.729 5.294 9.550 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.136 7.527 9.510 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.331 7.117 7.817 1.00 0.00 H new ATOM 382 N ASP A 27 -5.304 8.708 9.609 1.00 0.00 N ATOM 383 CA ASP A 27 -6.570 9.424 9.700 1.00 0.00 C ATOM 384 C ASP A 27 -6.964 10.010 8.347 1.00 0.00 C ATOM 385 O ASP A 27 -7.805 9.456 7.640 1.00 0.00 O ATOM 386 CB ASP A 27 -6.478 10.536 10.746 1.00 0.00 C ATOM 387 CG ASP A 27 -6.419 9.995 12.161 1.00 0.00 C ATOM 388 OD1 ASP A 27 -5.659 9.033 12.398 1.00 0.00 O ATOM 389 OD2 ASP A 27 -7.135 10.532 13.033 1.00 0.00 O ATOM 0 H ASP A 27 -4.567 9.077 10.209 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.339 8.714 10.004 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.591 11.140 10.553 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.340 11.196 10.648 1.00 0.00 H new ATOM 394 N ASN A 28 -6.351 11.135 7.991 1.00 0.00 N ATOM 395 CA ASN A 28 -6.637 11.795 6.723 1.00 0.00 C ATOM 396 C ASN A 28 -5.959 11.066 5.566 1.00 0.00 C ATOM 397 O ASN A 28 -6.625 10.587 4.647 1.00 0.00 O ATOM 398 CB ASN A 28 -6.180 13.255 6.768 1.00 0.00 C ATOM 399 CG ASN A 28 -7.327 14.228 6.582 1.00 0.00 C ATOM 400 OD1 ASN A 28 -8.065 14.156 5.601 1.00 0.00 O ATOM 401 ND2 ASN A 28 -7.483 15.147 7.529 1.00 0.00 N ATOM 0 H ASN A 28 -5.652 11.608 8.564 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.715 11.768 6.561 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.693 13.451 7.723 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.435 13.423 5.990 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.238 15.829 7.459 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.847 15.171 8.326 1.00 0.00 H new ATOM 408 N PRO A 29 -4.619 10.970 5.594 1.00 0.00 N ATOM 409 CA PRO A 29 -3.854 10.295 4.543 1.00 0.00 C ATOM 410 C PRO A 29 -3.933 8.776 4.655 1.00 0.00 C ATOM 411 O PRO A 29 -4.730 8.243 5.426 1.00 0.00 O ATOM 412 CB PRO A 29 -2.425 10.776 4.790 1.00 0.00 C ATOM 413 CG PRO A 29 -2.368 11.040 6.255 1.00 0.00 C ATOM 414 CD PRO A 29 -3.743 11.511 6.652 1.00 0.00 C ATOM 0 HA PRO A 29 -4.232 10.525 3.547 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.696 10.022 4.494 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.204 11.676 4.216 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.092 10.139 6.802 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.616 11.795 6.485 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.026 11.137 7.636 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.796 12.599 6.698 1.00 0.00 H new ATOM 422 N VAL A 30 -3.101 8.084 3.882 1.00 0.00 N ATOM 423 CA VAL A 30 -3.079 6.626 3.898 1.00 0.00 C ATOM 424 C VAL A 30 -1.691 6.097 3.557 1.00 0.00 C ATOM 425 O VAL A 30 -1.198 6.286 2.445 1.00 0.00 O ATOM 426 CB VAL A 30 -4.099 6.032 2.906 1.00 0.00 C ATOM 427 CG1 VAL A 30 -4.334 4.559 3.202 1.00 0.00 C ATOM 428 CG2 VAL A 30 -5.410 6.806 2.953 1.00 0.00 C ATOM 0 H VAL A 30 -2.434 8.509 3.238 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.348 6.318 4.908 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.689 6.119 1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.057 4.156 2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.394 4.015 3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.720 4.449 4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.115 6.370 2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.827 6.755 3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.227 7.847 2.688 1.00 0.00 H new ATOM 438 N PHE A 31 -1.063 5.430 4.521 1.00 0.00 N ATOM 439 CA PHE A 31 0.268 4.870 4.323 1.00 0.00 C ATOM 440 C PHE A 31 0.355 3.456 4.887 1.00 0.00 C ATOM 441 O PHE A 31 -0.256 3.146 5.908 1.00 0.00 O ATOM 442 CB PHE A 31 1.321 5.763 4.983 1.00 0.00 C ATOM 443 CG PHE A 31 0.966 6.180 6.380 1.00 0.00 C ATOM 444 CD1 PHE A 31 0.000 7.148 6.604 1.00 0.00 C ATOM 445 CD2 PHE A 31 1.599 5.605 7.472 1.00 0.00 C ATOM 446 CE1 PHE A 31 -0.329 7.535 7.889 1.00 0.00 C ATOM 447 CE2 PHE A 31 1.274 5.988 8.759 1.00 0.00 C ATOM 448 CZ PHE A 31 0.309 6.954 8.969 1.00 0.00 C ATOM 0 H PHE A 31 -1.456 5.265 5.448 1.00 0.00 H new ATOM 0 HA PHE A 31 0.460 4.824 3.251 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.274 5.234 5.002 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.464 6.654 4.372 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.502 7.605 5.764 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.354 4.849 7.314 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.084 8.291 8.049 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.774 5.532 9.601 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.054 7.255 9.974 1.00 0.00 H new ATOM 458 N VAL A 32 1.120 2.604 4.213 1.00 0.00 N ATOM 459 CA VAL A 32 1.288 1.222 4.647 1.00 0.00 C ATOM 460 C VAL A 32 2.254 1.132 5.824 1.00 0.00 C ATOM 461 O VAL A 32 3.413 1.535 5.723 1.00 0.00 O ATOM 462 CB VAL A 32 1.807 0.332 3.501 1.00 0.00 C ATOM 463 CG1 VAL A 32 1.816 -1.131 3.919 1.00 0.00 C ATOM 464 CG2 VAL A 32 0.966 0.532 2.249 1.00 0.00 C ATOM 0 H VAL A 32 1.633 2.846 3.365 1.00 0.00 H new ATOM 0 HA VAL A 32 0.306 0.865 4.957 1.00 0.00 H new ATOM 0 HB VAL A 32 2.832 0.625 3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.186 -1.742 3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.465 -1.258 4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.803 -1.442 4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.346 -0.104 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.070 0.268 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.018 1.575 1.938 1.00 0.00 H new ATOM 474 N GLN A 33 1.769 0.600 6.941 1.00 0.00 N ATOM 475 CA GLN A 33 2.588 0.457 8.140 1.00 0.00 C ATOM 476 C GLN A 33 3.321 -0.880 8.146 1.00 0.00 C ATOM 477 O GLN A 33 4.515 -0.943 8.435 1.00 0.00 O ATOM 478 CB GLN A 33 1.720 0.583 9.392 1.00 0.00 C ATOM 479 CG GLN A 33 1.277 2.007 9.686 1.00 0.00 C ATOM 480 CD GLN A 33 1.195 2.300 11.170 1.00 0.00 C ATOM 481 OE1 GLN A 33 1.838 3.224 11.670 1.00 0.00 O ATOM 482 NE2 GLN A 33 0.403 1.510 11.887 1.00 0.00 N ATOM 0 H GLN A 33 0.812 0.260 7.041 1.00 0.00 H new ATOM 0 HA GLN A 33 3.331 1.255 8.139 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.838 -0.046 9.277 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.275 0.200 10.248 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.974 2.703 9.221 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.302 2.181 9.231 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.112 0.756 11.432 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.310 1.658 12.892 1.00 0.00 H new ATOM 491 N SER A 34 2.596 -1.948 7.826 1.00 0.00 N ATOM 492 CA SER A 34 3.179 -3.285 7.797 1.00 0.00 C ATOM 493 C SER A 34 2.917 -3.966 6.457 1.00 0.00 C ATOM 494 O SER A 34 1.923 -3.681 5.788 1.00 0.00 O ATOM 495 CB SER A 34 2.611 -4.137 8.933 1.00 0.00 C ATOM 496 OG SER A 34 3.278 -5.383 9.019 1.00 0.00 O ATOM 0 H SER A 34 1.606 -1.914 7.584 1.00 0.00 H new ATOM 0 HA SER A 34 4.256 -3.186 7.929 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.710 -3.602 9.877 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.546 -4.302 8.770 1.00 0.00 H new ATOM 0 HG SER A 34 2.897 -5.908 9.754 1.00 0.00 H new ATOM 502 N VAL A 35 3.815 -4.867 6.070 1.00 0.00 N ATOM 503 CA VAL A 35 3.680 -5.588 4.812 1.00 0.00 C ATOM 504 C VAL A 35 3.997 -7.069 4.990 1.00 0.00 C ATOM 505 O VAL A 35 5.031 -7.430 5.552 1.00 0.00 O ATOM 506 CB VAL A 35 4.607 -5.007 3.726 1.00 0.00 C ATOM 507 CG1 VAL A 35 4.094 -3.657 3.252 1.00 0.00 C ATOM 508 CG2 VAL A 35 6.031 -4.894 4.246 1.00 0.00 C ATOM 0 H VAL A 35 4.644 -5.114 6.611 1.00 0.00 H new ATOM 0 HA VAL A 35 2.643 -5.474 4.495 1.00 0.00 H new ATOM 0 HB VAL A 35 4.609 -5.686 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.761 -3.263 2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.093 -3.774 2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.059 -2.965 4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.672 -4.482 3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.050 -4.237 5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.394 -5.882 4.530 1.00 0.00 H new ATOM 518 N LYS A 36 3.102 -7.925 4.505 1.00 0.00 N ATOM 519 CA LYS A 36 3.287 -9.368 4.608 1.00 0.00 C ATOM 520 C LYS A 36 4.584 -9.799 3.929 1.00 0.00 C ATOM 521 O LYS A 36 4.641 -9.933 2.707 1.00 0.00 O ATOM 522 CB LYS A 36 2.099 -10.100 3.979 1.00 0.00 C ATOM 523 CG LYS A 36 1.806 -11.447 4.623 1.00 0.00 C ATOM 524 CD LYS A 36 0.380 -11.899 4.345 1.00 0.00 C ATOM 525 CE LYS A 36 0.335 -13.015 3.312 1.00 0.00 C ATOM 526 NZ LYS A 36 -0.131 -14.299 3.904 1.00 0.00 N ATOM 0 H LYS A 36 2.241 -7.643 4.036 1.00 0.00 H new ATOM 0 HA LYS A 36 3.348 -9.629 5.665 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.213 -9.470 4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.295 -10.249 2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.505 -12.192 4.244 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.964 -11.379 5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.080 -12.242 5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.208 -11.052 3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.329 -12.729 2.497 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.327 -13.152 2.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.148 -15.034 3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.517 -14.586 4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.088 -14.175 4.292 1.00 0.00 H new ATOM 540 N GLU A 37 5.623 -10.013 4.730 1.00 0.00 N ATOM 541 CA GLU A 37 6.920 -10.428 4.208 1.00 0.00 C ATOM 542 C GLU A 37 6.837 -11.815 3.582 1.00 0.00 C ATOM 543 O GLU A 37 6.312 -12.751 4.186 1.00 0.00 O ATOM 544 CB GLU A 37 7.967 -10.420 5.323 1.00 0.00 C ATOM 545 CG GLU A 37 7.604 -11.305 6.505 1.00 0.00 C ATOM 546 CD GLU A 37 8.663 -11.290 7.591 1.00 0.00 C ATOM 547 OE1 GLU A 37 9.863 -11.248 7.249 1.00 0.00 O ATOM 548 OE2 GLU A 37 8.292 -11.321 8.783 1.00 0.00 O ATOM 0 H GLU A 37 5.592 -9.906 5.744 1.00 0.00 H new ATOM 0 HA GLU A 37 7.216 -9.719 3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.923 -10.748 4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.104 -9.397 5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.654 -10.974 6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.459 -12.328 6.158 1.00 0.00 H new ATOM 555 N ASP A 38 7.361 -11.942 2.367 1.00 0.00 N ATOM 556 CA ASP A 38 7.349 -13.217 1.657 1.00 0.00 C ATOM 557 C ASP A 38 5.922 -13.727 1.476 1.00 0.00 C ATOM 558 O ASP A 38 5.668 -14.929 1.551 1.00 0.00 O ATOM 559 CB ASP A 38 8.182 -14.253 2.414 1.00 0.00 C ATOM 560 CG ASP A 38 8.992 -15.134 1.483 1.00 0.00 C ATOM 561 OD1 ASP A 38 8.483 -15.476 0.395 1.00 0.00 O ATOM 562 OD2 ASP A 38 10.137 -15.482 1.841 1.00 0.00 O ATOM 0 H ASP A 38 7.799 -11.178 1.853 1.00 0.00 H new ATOM 0 HA ASP A 38 7.786 -13.060 0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.854 -13.742 3.103 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.522 -14.876 3.017 1.00 0.00 H new ATOM 567 N GLY A 39 4.996 -12.805 1.239 1.00 0.00 N ATOM 568 CA GLY A 39 3.607 -13.182 1.051 1.00 0.00 C ATOM 569 C GLY A 39 2.923 -12.357 -0.022 1.00 0.00 C ATOM 570 O GLY A 39 3.541 -11.987 -1.019 1.00 0.00 O ATOM 0 H GLY A 39 5.182 -11.804 1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.553 -14.237 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.071 -13.064 1.993 1.00 0.00 H new ATOM 574 N ALA A 40 1.641 -12.069 0.184 1.00 0.00 N ATOM 575 CA ALA A 40 0.871 -11.285 -0.773 1.00 0.00 C ATOM 576 C ALA A 40 1.467 -9.892 -0.948 1.00 0.00 C ATOM 577 O ALA A 40 1.622 -9.409 -2.068 1.00 0.00 O ATOM 578 CB ALA A 40 -0.580 -11.188 -0.330 1.00 0.00 C ATOM 0 H ALA A 40 1.115 -12.367 1.005 1.00 0.00 H new ATOM 0 HA ALA A 40 0.912 -11.793 -1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.143 -10.600 -1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.008 -12.188 -0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.631 -10.706 0.647 1.00 0.00 H new ATOM 584 N ALA A 41 1.798 -9.253 0.169 1.00 0.00 N ATOM 585 CA ALA A 41 2.377 -7.916 0.139 1.00 0.00 C ATOM 586 C ALA A 41 3.719 -7.915 -0.582 1.00 0.00 C ATOM 587 O ALA A 41 3.974 -7.072 -1.441 1.00 0.00 O ATOM 588 CB ALA A 41 2.535 -7.380 1.555 1.00 0.00 C ATOM 0 H ALA A 41 1.675 -9.639 1.105 1.00 0.00 H new ATOM 0 HA ALA A 41 1.699 -7.264 -0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.969 -6.381 1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.559 -7.335 2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.191 -8.040 2.123 1.00 0.00 H new ATOM 594 N MET A 42 4.576 -8.869 -0.229 1.00 0.00 N ATOM 595 CA MET A 42 5.892 -8.978 -0.847 1.00 0.00 C ATOM 596 C MET A 42 5.767 -9.261 -2.340 1.00 0.00 C ATOM 597 O MET A 42 6.627 -8.869 -3.131 1.00 0.00 O ATOM 598 CB MET A 42 6.705 -10.084 -0.172 1.00 0.00 C ATOM 599 CG MET A 42 8.209 -9.864 -0.245 1.00 0.00 C ATOM 600 SD MET A 42 9.097 -11.307 -0.861 1.00 0.00 S ATOM 601 CE MET A 42 10.613 -11.205 0.087 1.00 0.00 C ATOM 0 H MET A 42 4.382 -9.576 0.480 1.00 0.00 H new ATOM 0 HA MET A 42 6.409 -8.027 -0.717 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.407 -10.156 0.874 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.463 -11.039 -0.639 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.416 -9.012 -0.893 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.583 -9.609 0.747 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.268 -12.033 -0.184 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.114 -10.261 -0.128 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.381 -11.258 1.151 1.00 0.00 H new ATOM 611 N ARG A 43 4.692 -9.943 -2.720 1.00 0.00 N ATOM 612 CA ARG A 43 4.453 -10.279 -4.120 1.00 0.00 C ATOM 613 C ARG A 43 4.053 -9.040 -4.916 1.00 0.00 C ATOM 614 O ARG A 43 4.447 -8.878 -6.071 1.00 0.00 O ATOM 615 CB ARG A 43 3.364 -11.348 -4.230 1.00 0.00 C ATOM 616 CG ARG A 43 3.762 -12.535 -5.092 1.00 0.00 C ATOM 617 CD ARG A 43 2.790 -13.693 -4.929 1.00 0.00 C ATOM 618 NE ARG A 43 3.223 -14.879 -5.663 1.00 0.00 N ATOM 619 CZ ARG A 43 2.449 -15.939 -5.884 1.00 0.00 C ATOM 620 NH1 ARG A 43 1.203 -15.964 -5.428 1.00 0.00 N ATOM 621 NH2 ARG A 43 2.921 -16.976 -6.562 1.00 0.00 N ATOM 0 H ARG A 43 3.972 -10.274 -2.078 1.00 0.00 H new ATOM 0 HA ARG A 43 5.380 -10.672 -4.538 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.113 -11.703 -3.231 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.463 -10.895 -4.643 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.795 -12.231 -6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.767 -12.861 -4.823 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.691 -13.937 -3.871 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.803 -13.390 -5.279 1.00 0.00 H new ATOM 0 HE ARG A 43 4.175 -14.896 -6.028 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.835 -15.169 -4.906 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.613 -16.778 -5.600 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.878 -16.962 -6.915 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.327 -17.788 -6.731 1.00 0.00 H new ATOM 635 N ALA A 44 3.267 -8.170 -4.290 1.00 0.00 N ATOM 636 CA ALA A 44 2.814 -6.945 -4.941 1.00 0.00 C ATOM 637 C ALA A 44 3.940 -5.919 -5.042 1.00 0.00 C ATOM 638 O ALA A 44 3.845 -4.957 -5.804 1.00 0.00 O ATOM 639 CB ALA A 44 1.630 -6.359 -4.189 1.00 0.00 C ATOM 0 H ALA A 44 2.931 -8.290 -3.334 1.00 0.00 H new ATOM 0 HA ALA A 44 2.502 -7.198 -5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.301 -5.445 -4.684 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.813 -7.080 -4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.926 -6.130 -3.165 1.00 0.00 H new ATOM 645 N GLY A 45 5.006 -6.130 -4.274 1.00 0.00 N ATOM 646 CA GLY A 45 6.130 -5.212 -4.301 1.00 0.00 C ATOM 647 C GLY A 45 5.940 -4.032 -3.370 1.00 0.00 C ATOM 648 O GLY A 45 6.489 -2.955 -3.604 1.00 0.00 O ATOM 0 H GLY A 45 5.111 -6.918 -3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.038 -5.747 -4.023 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.273 -4.848 -5.318 1.00 0.00 H new ATOM 652 N VAL A 46 5.164 -4.232 -2.308 1.00 0.00 N ATOM 653 CA VAL A 46 4.907 -3.174 -1.341 1.00 0.00 C ATOM 654 C VAL A 46 6.013 -3.112 -0.290 1.00 0.00 C ATOM 655 O VAL A 46 6.593 -4.135 0.073 1.00 0.00 O ATOM 656 CB VAL A 46 3.548 -3.371 -0.638 1.00 0.00 C ATOM 657 CG1 VAL A 46 3.528 -4.681 0.138 1.00 0.00 C ATOM 658 CG2 VAL A 46 3.242 -2.193 0.277 1.00 0.00 C ATOM 0 H VAL A 46 4.703 -5.117 -2.097 1.00 0.00 H new ATOM 0 HA VAL A 46 4.884 -2.235 -1.895 1.00 0.00 H new ATOM 0 HB VAL A 46 2.771 -3.419 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.561 -4.800 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.694 -5.512 -0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.316 -4.670 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.279 -2.351 0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.022 -2.108 1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.205 -1.276 -0.311 1.00 0.00 H new ATOM 668 N GLN A 47 6.299 -1.907 0.192 1.00 0.00 N ATOM 669 CA GLN A 47 7.336 -1.713 1.199 1.00 0.00 C ATOM 670 C GLN A 47 6.731 -1.251 2.521 1.00 0.00 C ATOM 671 O GLN A 47 5.580 -0.819 2.571 1.00 0.00 O ATOM 672 CB GLN A 47 8.365 -0.693 0.710 1.00 0.00 C ATOM 673 CG GLN A 47 8.918 -1.000 -0.672 1.00 0.00 C ATOM 674 CD GLN A 47 9.129 0.248 -1.505 1.00 0.00 C ATOM 675 OE1 GLN A 47 10.128 0.951 -1.352 1.00 0.00 O ATOM 676 NE2 GLN A 47 8.185 0.532 -2.396 1.00 0.00 N ATOM 0 H GLN A 47 5.827 -1.050 -0.098 1.00 0.00 H new ATOM 0 HA GLN A 47 7.833 -2.669 1.363 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.906 0.296 0.697 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.190 -0.652 1.421 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.865 -1.529 -0.571 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.233 -1.669 -1.193 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.373 -0.078 -2.490 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.273 1.360 -2.986 1.00 0.00 H new ATOM 685 N THR A 48 7.518 -1.344 3.589 1.00 0.00 N ATOM 686 CA THR A 48 7.060 -0.936 4.912 1.00 0.00 C ATOM 687 C THR A 48 7.138 0.579 5.072 1.00 0.00 C ATOM 688 O THR A 48 8.187 1.185 4.850 1.00 0.00 O ATOM 689 CB THR A 48 7.898 -1.617 5.995 1.00 0.00 C ATOM 690 OG1 THR A 48 8.282 -2.919 5.589 1.00 0.00 O ATOM 691 CG2 THR A 48 7.175 -1.743 7.319 1.00 0.00 C ATOM 0 H THR A 48 8.474 -1.698 3.564 1.00 0.00 H new ATOM 0 HA THR A 48 6.019 -1.242 5.019 1.00 0.00 H new ATOM 0 HB THR A 48 8.768 -0.975 6.133 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.819 -3.337 6.295 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.825 -2.235 8.043 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.909 -0.751 7.684 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.269 -2.334 7.184 1.00 0.00 H new ATOM 699 N GLY A 49 6.021 1.185 5.462 1.00 0.00 N ATOM 700 CA GLY A 49 5.983 2.623 5.647 1.00 0.00 C ATOM 701 C GLY A 49 5.884 3.376 4.335 1.00 0.00 C ATOM 702 O GLY A 49 6.496 4.430 4.167 1.00 0.00 O ATOM 0 H GLY A 49 5.141 0.705 5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.131 2.883 6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.880 2.941 6.178 1.00 0.00 H new ATOM 706 N ASP A 50 5.107 2.834 3.402 1.00 0.00 N ATOM 707 CA ASP A 50 4.928 3.462 2.097 1.00 0.00 C ATOM 708 C ASP A 50 3.737 4.414 2.111 1.00 0.00 C ATOM 709 O ASP A 50 2.796 4.236 2.883 1.00 0.00 O ATOM 710 CB ASP A 50 4.730 2.395 1.018 1.00 0.00 C ATOM 711 CG ASP A 50 5.413 2.760 -0.285 1.00 0.00 C ATOM 712 OD1 ASP A 50 5.004 3.761 -0.910 1.00 0.00 O ATOM 713 OD2 ASP A 50 6.355 2.043 -0.683 1.00 0.00 O ATOM 0 H ASP A 50 4.592 1.962 3.525 1.00 0.00 H new ATOM 0 HA ASP A 50 5.827 4.036 1.871 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.121 1.443 1.376 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.664 2.255 0.840 1.00 0.00 H new ATOM 718 N ARG A 51 3.784 5.425 1.250 1.00 0.00 N ATOM 719 CA ARG A 51 2.707 6.404 1.162 1.00 0.00 C ATOM 720 C ARG A 51 1.742 6.044 0.039 1.00 0.00 C ATOM 721 O ARG A 51 2.160 5.706 -1.067 1.00 0.00 O ATOM 722 CB ARG A 51 3.280 7.803 0.933 1.00 0.00 C ATOM 723 CG ARG A 51 4.401 8.166 1.895 1.00 0.00 C ATOM 724 CD ARG A 51 5.626 8.687 1.160 1.00 0.00 C ATOM 725 NE ARG A 51 6.866 8.141 1.707 1.00 0.00 N ATOM 726 CZ ARG A 51 8.073 8.399 1.209 1.00 0.00 C ATOM 727 NH1 ARG A 51 8.207 9.196 0.156 1.00 0.00 N ATOM 728 NH2 ARG A 51 9.150 7.860 1.767 1.00 0.00 N ATOM 0 H ARG A 51 4.556 5.588 0.604 1.00 0.00 H new ATOM 0 HA ARG A 51 2.159 6.396 2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.653 7.871 -0.089 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.478 8.535 1.029 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.048 8.922 2.596 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.674 7.290 2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.552 8.430 0.103 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.651 9.775 1.222 1.00 0.00 H new ATOM 0 HE ARG A 51 6.803 7.526 2.518 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.383 9.614 -0.275 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.134 9.390 -0.222 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.053 7.248 2.577 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.075 8.058 1.385 1.00 0.00 H new ATOM 742 N ILE A 52 0.447 6.116 0.329 1.00 0.00 N ATOM 743 CA ILE A 52 -0.575 5.794 -0.661 1.00 0.00 C ATOM 744 C ILE A 52 -1.275 7.054 -1.158 1.00 0.00 C ATOM 745 O ILE A 52 -1.966 7.734 -0.400 1.00 0.00 O ATOM 746 CB ILE A 52 -1.627 4.824 -0.089 1.00 0.00 C ATOM 747 CG1 ILE A 52 -0.944 3.609 0.542 1.00 0.00 C ATOM 748 CG2 ILE A 52 -2.594 4.386 -1.180 1.00 0.00 C ATOM 749 CD1 ILE A 52 -1.688 3.047 1.733 1.00 0.00 C ATOM 0 H ILE A 52 0.081 6.394 1.240 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.066 5.312 -1.496 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.193 5.342 0.685 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.840 2.829 -0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.063 3.889 0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.331 3.701 -0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.102 5.260 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.043 3.883 -1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.146 2.188 2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.769 3.812 2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.686 2.735 1.425 1.00 0.00 H new ATOM 761 N ILE A 53 -1.090 7.361 -2.438 1.00 0.00 N ATOM 762 CA ILE A 53 -1.704 8.540 -3.038 1.00 0.00 C ATOM 763 C ILE A 53 -3.172 8.290 -3.363 1.00 0.00 C ATOM 764 O ILE A 53 -4.035 9.110 -3.050 1.00 0.00 O ATOM 765 CB ILE A 53 -0.969 8.964 -4.324 1.00 0.00 C ATOM 766 CG1 ILE A 53 0.536 9.061 -4.068 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.511 10.292 -4.832 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.288 7.789 -4.395 1.00 0.00 C ATOM 0 H ILE A 53 -0.520 6.810 -3.080 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.629 9.343 -2.305 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.141 8.207 -5.089 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.945 9.878 -4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.703 9.313 -3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.981 10.577 -5.741 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.575 10.192 -5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.366 11.059 -4.071 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.349 7.931 -4.189 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.905 6.972 -3.783 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.152 7.547 -5.449 1.00 0.00 H new ATOM 780 N LYS A 54 -3.452 7.152 -3.992 1.00 0.00 N ATOM 781 CA LYS A 54 -4.821 6.801 -4.357 1.00 0.00 C ATOM 782 C LYS A 54 -5.076 5.310 -4.153 1.00 0.00 C ATOM 783 O LYS A 54 -4.162 4.493 -4.259 1.00 0.00 O ATOM 784 CB LYS A 54 -5.101 7.188 -5.810 1.00 0.00 C ATOM 785 CG LYS A 54 -4.336 6.354 -6.825 1.00 0.00 C ATOM 786 CD LYS A 54 -5.245 5.366 -7.539 1.00 0.00 C ATOM 787 CE LYS A 54 -5.474 5.765 -8.988 1.00 0.00 C ATOM 788 NZ LYS A 54 -4.415 5.228 -9.888 1.00 0.00 N ATOM 0 H LYS A 54 -2.752 6.460 -4.259 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.496 7.356 -3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.169 7.089 -6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.848 8.239 -5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.867 7.011 -7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.534 5.813 -6.322 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.803 4.370 -7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.202 5.310 -7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.447 5.400 -9.315 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.499 6.852 -9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.236 5.905 -10.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.540 5.081 -9.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.728 4.322 -10.291 1.00 0.00 H new ATOM 802 N VAL A 55 -6.327 4.964 -3.862 1.00 0.00 N ATOM 803 CA VAL A 55 -6.706 3.574 -3.645 1.00 0.00 C ATOM 804 C VAL A 55 -7.969 3.221 -4.421 1.00 0.00 C ATOM 805 O VAL A 55 -9.056 3.709 -4.110 1.00 0.00 O ATOM 806 CB VAL A 55 -6.937 3.281 -2.150 1.00 0.00 C ATOM 807 CG1 VAL A 55 -5.610 3.174 -1.413 1.00 0.00 C ATOM 808 CG2 VAL A 55 -7.819 4.351 -1.526 1.00 0.00 C ATOM 0 H VAL A 55 -7.095 5.629 -3.771 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.879 2.962 -4.004 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.451 2.324 -2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.795 2.967 -0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.019 2.366 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.064 4.113 -1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.971 4.127 -0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.337 5.323 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.783 4.371 -2.035 1.00 0.00 H new ATOM 818 N ASN A 56 -7.820 2.372 -5.431 1.00 0.00 N ATOM 819 CA ASN A 56 -8.950 1.953 -6.253 1.00 0.00 C ATOM 820 C ASN A 56 -9.596 3.151 -6.943 1.00 0.00 C ATOM 821 O ASN A 56 -10.793 3.143 -7.229 1.00 0.00 O ATOM 822 CB ASN A 56 -9.986 1.226 -5.395 1.00 0.00 C ATOM 823 CG ASN A 56 -9.508 -0.140 -4.942 1.00 0.00 C ATOM 824 OD1 ASN A 56 -8.412 -0.576 -5.296 1.00 0.00 O ATOM 825 ND2 ASN A 56 -10.329 -0.823 -4.153 1.00 0.00 N ATOM 0 H ASN A 56 -6.927 1.960 -5.701 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.578 1.273 -7.019 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.220 1.834 -4.521 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.910 1.114 -5.963 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.061 -1.747 -3.816 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.228 -0.423 -3.884 1.00 0.00 H new ATOM 832 N GLY A 57 -8.796 4.178 -7.209 1.00 0.00 N ATOM 833 CA GLY A 57 -9.310 5.367 -7.864 1.00 0.00 C ATOM 834 C GLY A 57 -9.497 6.527 -6.906 1.00 0.00 C ATOM 835 O GLY A 57 -9.455 7.689 -7.313 1.00 0.00 O ATOM 0 H GLY A 57 -7.802 4.209 -6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.626 5.664 -8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.264 5.133 -8.336 1.00 0.00 H new ATOM 839 N THR A 58 -9.703 6.214 -5.631 1.00 0.00 N ATOM 840 CA THR A 58 -9.897 7.242 -4.614 1.00 0.00 C ATOM 841 C THR A 58 -8.604 8.013 -4.369 1.00 0.00 C ATOM 842 O THR A 58 -7.716 7.545 -3.657 1.00 0.00 O ATOM 843 CB THR A 58 -10.384 6.613 -3.308 1.00 0.00 C ATOM 844 OG1 THR A 58 -11.020 5.372 -3.556 1.00 0.00 O ATOM 845 CG2 THR A 58 -11.363 7.487 -2.552 1.00 0.00 C ATOM 0 H THR A 58 -9.740 5.258 -5.277 1.00 0.00 H new ATOM 0 HA THR A 58 -10.653 7.939 -4.977 1.00 0.00 H new ATOM 0 HB THR A 58 -9.490 6.484 -2.698 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.349 4.657 -3.568 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.669 6.982 -1.636 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.887 8.435 -2.302 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.239 7.674 -3.173 1.00 0.00 H new ATOM 853 N LEU A 59 -8.505 9.198 -4.963 1.00 0.00 N ATOM 854 CA LEU A 59 -7.320 10.034 -4.809 1.00 0.00 C ATOM 855 C LEU A 59 -7.652 11.317 -4.056 1.00 0.00 C ATOM 856 O LEU A 59 -7.063 12.367 -4.309 1.00 0.00 O ATOM 857 CB LEU A 59 -6.727 10.371 -6.180 1.00 0.00 C ATOM 858 CG LEU A 59 -7.733 10.877 -7.216 1.00 0.00 C ATOM 859 CD1 LEU A 59 -8.263 12.247 -6.824 1.00 0.00 C ATOM 860 CD2 LEU A 59 -7.093 10.927 -8.597 1.00 0.00 C ATOM 0 H LEU A 59 -9.231 9.601 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.585 9.476 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.953 11.128 -6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.238 9.481 -6.576 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.572 10.182 -7.248 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.977 12.589 -7.573 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.758 12.182 -5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.435 12.953 -6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.821 11.289 -9.323 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.236 11.600 -8.577 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.763 9.928 -8.881 1.00 0.00 H new ATOM 872 N VAL A 60 -8.598 11.223 -3.127 1.00 0.00 N ATOM 873 CA VAL A 60 -9.009 12.377 -2.336 1.00 0.00 C ATOM 874 C VAL A 60 -8.730 12.151 -0.852 1.00 0.00 C ATOM 875 O VAL A 60 -8.612 11.013 -0.399 1.00 0.00 O ATOM 876 CB VAL A 60 -10.508 12.688 -2.528 1.00 0.00 C ATOM 877 CG1 VAL A 60 -11.364 11.518 -2.068 1.00 0.00 C ATOM 878 CG2 VAL A 60 -10.889 13.962 -1.788 1.00 0.00 C ATOM 0 H VAL A 60 -9.094 10.360 -2.904 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.425 13.227 -2.688 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.692 12.844 -3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -12.417 11.759 -2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -11.111 10.632 -2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.178 11.324 -1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.950 14.165 -1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.687 13.839 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.303 14.796 -2.174 1.00 0.00 H new ATOM 888 N THR A 61 -8.623 13.243 -0.103 1.00 0.00 N ATOM 889 CA THR A 61 -8.357 13.165 1.329 1.00 0.00 C ATOM 890 C THR A 61 -9.504 12.474 2.060 1.00 0.00 C ATOM 891 O THR A 61 -10.372 13.131 2.634 1.00 0.00 O ATOM 892 CB THR A 61 -8.138 14.566 1.905 1.00 0.00 C ATOM 893 OG1 THR A 61 -8.873 15.528 1.171 1.00 0.00 O ATOM 894 CG2 THR A 61 -6.687 14.995 1.900 1.00 0.00 C ATOM 0 H THR A 61 -8.716 14.193 -0.463 1.00 0.00 H new ATOM 0 HA THR A 61 -7.452 12.575 1.473 1.00 0.00 H new ATOM 0 HB THR A 61 -8.480 14.511 2.939 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.722 16.417 1.554 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.602 15.997 2.321 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.100 14.299 2.499 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.312 14.999 0.876 1.00 0.00 H new ATOM 902 N HIS A 62 -9.498 11.145 2.035 1.00 0.00 N ATOM 903 CA HIS A 62 -10.539 10.366 2.695 1.00 0.00 C ATOM 904 C HIS A 62 -10.250 10.228 4.188 1.00 0.00 C ATOM 905 O HIS A 62 -9.206 10.666 4.669 1.00 0.00 O ATOM 906 CB HIS A 62 -10.654 8.981 2.052 1.00 0.00 C ATOM 907 CG HIS A 62 -11.999 8.711 1.451 1.00 0.00 C ATOM 908 ND1 HIS A 62 -12.712 7.554 1.689 1.00 0.00 N ATOM 909 CD2 HIS A 62 -12.764 9.456 0.617 1.00 0.00 C ATOM 910 CE1 HIS A 62 -13.855 7.599 1.028 1.00 0.00 C ATOM 911 NE2 HIS A 62 -13.910 8.743 0.370 1.00 0.00 N ATOM 0 H HIS A 62 -8.785 10.586 1.566 1.00 0.00 H new ATOM 0 HA HIS A 62 -11.486 10.893 2.575 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.893 8.884 1.278 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -10.442 8.221 2.804 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -12.518 10.430 0.220 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -14.615 6.831 1.026 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -14.680 9.047 -0.226 1.00 0.00 H new ATOM 920 N SER A 63 -11.181 9.616 4.911 1.00 0.00 N ATOM 921 CA SER A 63 -11.027 9.421 6.348 1.00 0.00 C ATOM 922 C SER A 63 -11.658 8.105 6.789 1.00 0.00 C ATOM 923 O SER A 63 -12.106 7.312 5.962 1.00 0.00 O ATOM 924 CB SER A 63 -11.657 10.586 7.113 1.00 0.00 C ATOM 925 OG SER A 63 -13.056 10.643 6.894 1.00 0.00 O ATOM 0 H SER A 63 -12.050 9.246 4.526 1.00 0.00 H new ATOM 0 HA SER A 63 -9.961 9.384 6.572 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.457 10.476 8.179 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.198 11.523 6.798 1.00 0.00 H new ATOM 0 HG SER A 63 -13.435 11.395 7.395 1.00 0.00 H new ATOM 931 N ASN A 64 -11.691 7.881 8.099 1.00 0.00 N ATOM 932 CA ASN A 64 -12.268 6.659 8.652 1.00 0.00 C ATOM 933 C ASN A 64 -11.485 5.433 8.197 1.00 0.00 C ATOM 934 O ASN A 64 -11.587 5.010 7.045 1.00 0.00 O ATOM 935 CB ASN A 64 -13.737 6.530 8.235 1.00 0.00 C ATOM 936 CG ASN A 64 -14.684 6.653 9.412 1.00 0.00 C ATOM 937 OD1 ASN A 64 -14.454 7.440 10.330 1.00 0.00 O ATOM 938 ND2 ASN A 64 -15.759 5.872 9.391 1.00 0.00 N ATOM 0 H ASN A 64 -11.326 8.529 8.797 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.211 6.718 9.739 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.972 7.300 7.501 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -13.890 5.567 7.748 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -16.433 5.911 10.156 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.911 5.234 8.610 1.00 0.00 H new ATOM 945 N HIS A 65 -10.704 4.864 9.111 1.00 0.00 N ATOM 946 CA HIS A 65 -9.905 3.683 8.804 1.00 0.00 C ATOM 947 C HIS A 65 -10.796 2.512 8.401 1.00 0.00 C ATOM 948 O HIS A 65 -10.457 1.740 7.503 1.00 0.00 O ATOM 949 CB HIS A 65 -9.048 3.297 10.010 1.00 0.00 C ATOM 950 CG HIS A 65 -8.019 2.253 9.705 1.00 0.00 C ATOM 951 ND1 HIS A 65 -7.868 1.684 8.458 1.00 0.00 N ATOM 952 CD2 HIS A 65 -7.084 1.674 10.495 1.00 0.00 C ATOM 953 CE1 HIS A 65 -6.887 0.801 8.493 1.00 0.00 C ATOM 954 NE2 HIS A 65 -6.394 0.777 9.719 1.00 0.00 N ATOM 0 H HIS A 65 -10.608 5.201 10.069 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.253 3.923 7.965 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.548 4.188 10.390 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.698 2.933 10.805 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.428 1.910 7.636 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.913 1.880 11.541 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.546 0.201 7.662 1.00 0.00 H new ATOM 963 N LEU A 66 -11.939 2.389 9.070 1.00 0.00 N ATOM 964 CA LEU A 66 -12.882 1.314 8.781 1.00 0.00 C ATOM 965 C LEU A 66 -13.274 1.320 7.306 1.00 0.00 C ATOM 966 O LEU A 66 -13.333 0.271 6.665 1.00 0.00 O ATOM 967 CB LEU A 66 -14.130 1.452 9.659 1.00 0.00 C ATOM 968 CG LEU A 66 -14.422 0.252 10.562 1.00 0.00 C ATOM 969 CD1 LEU A 66 -13.757 0.430 11.918 1.00 0.00 C ATOM 970 CD2 LEU A 66 -15.922 0.061 10.724 1.00 0.00 C ATOM 0 H LEU A 66 -12.234 3.020 9.815 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.396 0.364 9.004 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.020 2.339 10.283 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.992 1.621 9.014 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.010 -0.641 10.092 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.976 -0.433 12.547 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.679 0.519 11.786 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -14.139 1.332 12.395 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.112 -0.797 11.369 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.356 0.955 11.172 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -16.374 -0.112 9.748 1.00 0.00 H new ATOM 982 N GLU A 67 -13.530 2.510 6.773 1.00 0.00 N ATOM 983 CA GLU A 67 -13.904 2.649 5.372 1.00 0.00 C ATOM 984 C GLU A 67 -12.765 2.182 4.477 1.00 0.00 C ATOM 985 O GLU A 67 -12.982 1.458 3.502 1.00 0.00 O ATOM 986 CB GLU A 67 -14.261 4.103 5.056 1.00 0.00 C ATOM 987 CG GLU A 67 -15.709 4.453 5.356 1.00 0.00 C ATOM 988 CD GLU A 67 -16.257 5.517 4.425 1.00 0.00 C ATOM 989 OE1 GLU A 67 -16.095 6.716 4.734 1.00 0.00 O ATOM 990 OE2 GLU A 67 -16.845 5.150 3.386 1.00 0.00 O ATOM 0 H GLU A 67 -13.485 3.389 7.289 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.779 2.028 5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.610 4.761 5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.060 4.297 4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.320 3.554 5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.789 4.801 6.386 1.00 0.00 H new ATOM 997 N VAL A 68 -11.548 2.591 4.821 1.00 0.00 N ATOM 998 CA VAL A 68 -10.371 2.201 4.057 1.00 0.00 C ATOM 999 C VAL A 68 -10.188 0.691 4.108 1.00 0.00 C ATOM 1000 O VAL A 68 -9.972 0.042 3.084 1.00 0.00 O ATOM 1001 CB VAL A 68 -9.094 2.884 4.589 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -7.965 2.772 3.575 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -9.367 4.342 4.934 1.00 0.00 C ATOM 0 H VAL A 68 -11.352 3.191 5.622 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.530 2.522 3.028 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.786 2.372 5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.073 3.260 3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.750 1.721 3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.262 3.256 2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.453 4.805 5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.703 4.870 4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.140 4.396 5.700 1.00 0.00 H new ATOM 1013 N VAL A 69 -10.298 0.131 5.312 1.00 0.00 N ATOM 1014 CA VAL A 69 -10.163 -1.307 5.495 1.00 0.00 C ATOM 1015 C VAL A 69 -11.254 -2.040 4.726 1.00 0.00 C ATOM 1016 O VAL A 69 -10.990 -3.029 4.040 1.00 0.00 O ATOM 1017 CB VAL A 69 -10.245 -1.698 6.982 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -9.954 -3.180 7.162 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -9.287 -0.856 7.812 1.00 0.00 C ATOM 0 H VAL A 69 -10.480 0.652 6.170 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.183 -1.594 5.114 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.259 -1.504 7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.017 -3.437 8.219 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.684 -3.765 6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.952 -3.402 6.793 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.360 -1.148 8.860 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.267 -1.014 7.462 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.547 0.198 7.710 1.00 0.00 H new ATOM 1029 N LYS A 70 -12.478 -1.535 4.835 1.00 0.00 N ATOM 1030 CA LYS A 70 -13.612 -2.128 4.140 1.00 0.00 C ATOM 1031 C LYS A 70 -13.412 -2.037 2.633 1.00 0.00 C ATOM 1032 O LYS A 70 -13.748 -2.961 1.894 1.00 0.00 O ATOM 1033 CB LYS A 70 -14.912 -1.428 4.543 1.00 0.00 C ATOM 1034 CG LYS A 70 -15.607 -2.073 5.731 1.00 0.00 C ATOM 1035 CD LYS A 70 -17.056 -1.628 5.837 1.00 0.00 C ATOM 1036 CE LYS A 70 -17.241 -0.583 6.926 1.00 0.00 C ATOM 1037 NZ LYS A 70 -18.542 0.130 6.798 1.00 0.00 N ATOM 0 H LYS A 70 -12.709 -0.717 5.398 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.681 -3.178 4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.695 -0.387 4.781 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.593 -1.426 3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.565 -3.158 5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.078 -1.814 6.648 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -17.383 -1.220 4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.688 -2.491 6.048 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.185 -1.063 7.903 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.426 0.139 6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.629 0.833 7.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -18.586 0.610 5.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -19.322 -0.555 6.869 1.00 0.00 H new ATOM 1051 N LEU A 71 -12.855 -0.916 2.186 1.00 0.00 N ATOM 1052 CA LEU A 71 -12.600 -0.704 0.768 1.00 0.00 C ATOM 1053 C LEU A 71 -11.469 -1.605 0.287 1.00 0.00 C ATOM 1054 O LEU A 71 -11.497 -2.109 -0.836 1.00 0.00 O ATOM 1055 CB LEU A 71 -12.255 0.763 0.500 1.00 0.00 C ATOM 1056 CG LEU A 71 -13.409 1.612 -0.039 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -13.251 3.062 0.392 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -13.481 1.507 -1.554 1.00 0.00 C ATOM 0 H LEU A 71 -12.572 -0.141 2.786 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.505 -0.957 0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.896 1.211 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.431 0.802 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.342 1.232 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -14.080 3.651 -0.000 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.248 3.120 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.311 3.456 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.307 2.116 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.546 1.862 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.642 0.467 -1.839 1.00 0.00 H new ATOM 1070 N ILE A 72 -10.474 -1.811 1.147 1.00 0.00 N ATOM 1071 CA ILE A 72 -9.339 -2.659 0.807 1.00 0.00 C ATOM 1072 C ILE A 72 -9.738 -4.132 0.821 1.00 0.00 C ATOM 1073 O ILE A 72 -9.343 -4.899 -0.057 1.00 0.00 O ATOM 1074 CB ILE A 72 -8.157 -2.439 1.778 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -7.638 -1.006 1.667 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -7.036 -3.431 1.496 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -6.875 -0.543 2.889 1.00 0.00 C ATOM 0 H ILE A 72 -10.432 -1.403 2.081 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.021 -2.381 -0.198 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.514 -2.604 2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.990 -0.929 0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.480 -0.335 1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.214 -3.258 2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.410 -4.447 1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.681 -3.298 0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.537 0.482 2.740 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.526 -0.587 3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.012 -1.190 3.046 1.00 0.00 H new ATOM 1089 N LYS A 73 -10.525 -4.525 1.820 1.00 0.00 N ATOM 1090 CA LYS A 73 -10.972 -5.908 1.937 1.00 0.00 C ATOM 1091 C LYS A 73 -12.050 -6.222 0.903 1.00 0.00 C ATOM 1092 O LYS A 73 -12.224 -7.373 0.506 1.00 0.00 O ATOM 1093 CB LYS A 73 -11.497 -6.183 3.347 1.00 0.00 C ATOM 1094 CG LYS A 73 -12.788 -5.453 3.673 1.00 0.00 C ATOM 1095 CD LYS A 73 -13.065 -5.452 5.168 1.00 0.00 C ATOM 1096 CE LYS A 73 -14.544 -5.655 5.460 1.00 0.00 C ATOM 1097 NZ LYS A 73 -14.856 -5.458 6.902 1.00 0.00 N ATOM 0 H LYS A 73 -10.864 -3.907 2.557 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.116 -6.556 1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.658 -7.255 3.462 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.735 -5.895 4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.728 -4.426 3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.618 -5.927 3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.487 -6.242 5.647 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.734 -4.508 5.600 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.131 -4.958 4.863 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.839 -6.660 5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.873 -5.605 7.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.315 -6.140 7.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.598 -4.491 7.184 1.00 0.00 H new ATOM 1111 N SER A 74 -12.773 -5.192 0.472 1.00 0.00 N ATOM 1112 CA SER A 74 -13.833 -5.364 -0.514 1.00 0.00 C ATOM 1113 C SER A 74 -13.258 -5.785 -1.863 1.00 0.00 C ATOM 1114 O SER A 74 -13.138 -4.973 -2.781 1.00 0.00 O ATOM 1115 CB SER A 74 -14.630 -4.066 -0.669 1.00 0.00 C ATOM 1116 OG SER A 74 -15.814 -4.098 0.110 1.00 0.00 O ATOM 0 H SER A 74 -12.644 -4.231 0.790 1.00 0.00 H new ATOM 0 HA SER A 74 -14.499 -6.151 -0.161 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.014 -3.219 -0.366 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.885 -3.915 -1.718 1.00 0.00 H new ATOM 0 HG SER A 74 -15.627 -3.745 1.005 1.00 0.00 H new ATOM 1122 N GLY A 75 -12.901 -7.060 -1.975 1.00 0.00 N ATOM 1123 CA GLY A 75 -12.341 -7.571 -3.212 1.00 0.00 C ATOM 1124 C GLY A 75 -11.031 -8.304 -2.998 1.00 0.00 C ATOM 1125 O GLY A 75 -10.309 -8.030 -2.039 1.00 0.00 O ATOM 0 H GLY A 75 -12.990 -7.750 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.058 -8.245 -3.680 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.182 -6.744 -3.904 1.00 0.00 H new ATOM 1129 N SER A 76 -10.724 -9.237 -3.892 1.00 0.00 N ATOM 1130 CA SER A 76 -9.491 -10.011 -3.795 1.00 0.00 C ATOM 1131 C SER A 76 -8.298 -9.201 -4.293 1.00 0.00 C ATOM 1132 O SER A 76 -7.198 -9.304 -3.753 1.00 0.00 O ATOM 1133 CB SER A 76 -9.615 -11.308 -4.598 1.00 0.00 C ATOM 1134 OG SER A 76 -10.927 -11.835 -4.516 1.00 0.00 O ATOM 0 H SER A 76 -11.311 -9.476 -4.691 1.00 0.00 H new ATOM 0 HA SER A 76 -9.326 -10.256 -2.746 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.360 -11.119 -5.641 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.901 -12.041 -4.223 1.00 0.00 H new ATOM 0 HG SER A 76 -10.980 -12.662 -5.039 1.00 0.00 H new ATOM 1140 N TYR A 77 -8.526 -8.396 -5.326 1.00 0.00 N ATOM 1141 CA TYR A 77 -7.470 -7.569 -5.898 1.00 0.00 C ATOM 1142 C TYR A 77 -7.658 -6.105 -5.514 1.00 0.00 C ATOM 1143 O TYR A 77 -8.782 -5.605 -5.469 1.00 0.00 O ATOM 1144 CB TYR A 77 -7.450 -7.711 -7.420 1.00 0.00 C ATOM 1145 CG TYR A 77 -7.300 -9.139 -7.895 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -8.404 -9.979 -7.986 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -6.058 -9.647 -8.251 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -8.272 -11.285 -8.419 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -5.918 -10.952 -8.685 1.00 0.00 C ATOM 1150 CZ TYR A 77 -7.028 -11.766 -8.767 1.00 0.00 C ATOM 1151 OH TYR A 77 -6.892 -13.065 -9.198 1.00 0.00 O ATOM 0 H TYR A 77 -9.432 -8.299 -5.784 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.516 -7.912 -5.496 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.373 -7.297 -7.827 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.630 -7.116 -7.821 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.380 -9.605 -7.714 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.187 -9.012 -8.188 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.139 -11.925 -8.484 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.945 -11.332 -8.958 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.951 -13.244 -9.404 1.00 0.00 H new ATOM 1161 N VAL A 78 -6.551 -5.424 -5.239 1.00 0.00 N ATOM 1162 CA VAL A 78 -6.594 -4.017 -4.859 1.00 0.00 C ATOM 1163 C VAL A 78 -5.493 -3.226 -5.559 1.00 0.00 C ATOM 1164 O VAL A 78 -4.316 -3.575 -5.476 1.00 0.00 O ATOM 1165 CB VAL A 78 -6.454 -3.842 -3.334 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -5.117 -4.385 -2.851 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -6.617 -2.380 -2.945 1.00 0.00 C ATOM 0 H VAL A 78 -5.613 -5.824 -5.272 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.565 -3.633 -5.170 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.246 -4.413 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.039 -4.252 -1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.047 -5.446 -3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.307 -3.847 -3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.515 -2.277 -1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.850 -1.784 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.603 -2.030 -3.251 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.884 -2.158 -6.248 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.931 -1.317 -6.960 1.00 0.00 C ATOM 1179 C ALA A 79 -4.875 0.081 -6.356 1.00 0.00 C ATOM 1180 O ALA A 79 -5.831 0.851 -6.460 1.00 0.00 O ATOM 1181 CB ALA A 79 -5.295 -1.243 -8.436 1.00 0.00 C ATOM 0 H ALA A 79 -6.855 -1.855 -6.328 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.942 -1.766 -6.862 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.575 -0.612 -8.957 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.277 -2.245 -8.866 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.294 -0.820 -8.544 1.00 0.00 H new ATOM 1187 N LEU A 80 -3.753 0.403 -5.724 1.00 0.00 N ATOM 1188 CA LEU A 80 -3.574 1.708 -5.102 1.00 0.00 C ATOM 1189 C LEU A 80 -2.182 2.264 -5.388 1.00 0.00 C ATOM 1190 O LEU A 80 -1.173 1.617 -5.104 1.00 0.00 O ATOM 1191 CB LEU A 80 -3.797 1.612 -3.591 1.00 0.00 C ATOM 1192 CG LEU A 80 -2.936 0.569 -2.874 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -1.714 1.223 -2.247 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -3.753 -0.164 -1.819 1.00 0.00 C ATOM 0 H LEU A 80 -2.953 -0.223 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.311 2.388 -5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.602 2.589 -3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.847 1.382 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.594 -0.159 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.115 0.465 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.117 1.699 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.034 1.974 -1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.125 -0.901 -1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.126 0.551 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.594 -0.667 -2.295 1.00 0.00 H new ATOM 1206 N THR A 81 -2.136 3.467 -5.949 1.00 0.00 N ATOM 1207 CA THR A 81 -0.869 4.113 -6.272 1.00 0.00 C ATOM 1208 C THR A 81 -0.187 4.632 -5.012 1.00 0.00 C ATOM 1209 O THR A 81 -0.773 5.404 -4.250 1.00 0.00 O ATOM 1210 CB THR A 81 -1.093 5.264 -7.254 1.00 0.00 C ATOM 1211 OG1 THR A 81 -1.824 4.823 -8.386 1.00 0.00 O ATOM 1212 CG2 THR A 81 0.194 5.884 -7.752 1.00 0.00 C ATOM 0 H THR A 81 -2.962 4.015 -6.190 1.00 0.00 H new ATOM 0 HA THR A 81 -0.220 3.370 -6.736 1.00 0.00 H new ATOM 0 HB THR A 81 -1.648 6.017 -6.695 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.568 5.355 -9.168 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.036 6.694 -8.444 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.759 6.279 -6.907 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.788 5.127 -8.264 1.00 0.00 H new ATOM 1220 N VAL A 82 1.054 4.204 -4.797 1.00 0.00 N ATOM 1221 CA VAL A 82 1.817 4.622 -3.630 1.00 0.00 C ATOM 1222 C VAL A 82 3.062 5.404 -4.036 1.00 0.00 C ATOM 1223 O VAL A 82 3.360 5.543 -5.223 1.00 0.00 O ATOM 1224 CB VAL A 82 2.243 3.414 -2.774 1.00 0.00 C ATOM 1225 CG1 VAL A 82 1.027 2.730 -2.171 1.00 0.00 C ATOM 1226 CG2 VAL A 82 3.059 2.434 -3.604 1.00 0.00 C ATOM 0 H VAL A 82 1.552 3.566 -5.419 1.00 0.00 H new ATOM 0 HA VAL A 82 1.163 5.265 -3.041 1.00 0.00 H new ATOM 0 HB VAL A 82 2.869 3.773 -1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.349 1.879 -1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.488 3.437 -1.540 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.372 2.383 -2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.351 1.587 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.459 2.080 -4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.952 2.932 -3.982 1.00 0.00 H new ATOM 1236 N GLN A 83 3.784 5.912 -3.042 1.00 0.00 N ATOM 1237 CA GLN A 83 4.996 6.681 -3.292 1.00 0.00 C ATOM 1238 C GLN A 83 6.098 6.290 -2.313 1.00 0.00 C ATOM 1239 O GLN A 83 5.844 6.092 -1.124 1.00 0.00 O ATOM 1240 CB GLN A 83 4.709 8.179 -3.181 1.00 0.00 C ATOM 1241 CG GLN A 83 5.624 9.040 -4.034 1.00 0.00 C ATOM 1242 CD GLN A 83 5.540 10.511 -3.677 1.00 0.00 C ATOM 1243 OE1 GLN A 83 6.557 11.169 -3.458 1.00 0.00 O ATOM 1244 NE2 GLN A 83 4.321 11.037 -3.615 1.00 0.00 N ATOM 0 H GLN A 83 3.550 5.804 -2.055 1.00 0.00 H new ATOM 0 HA GLN A 83 5.335 6.458 -4.304 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.675 8.364 -3.472 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.806 8.483 -2.139 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.652 8.699 -3.915 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.364 8.909 -5.085 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.504 10.456 -3.804 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.202 12.022 -3.379 1.00 0.00 H new ATOM 1253 N GLY A 84 7.322 6.181 -2.820 1.00 0.00 N ATOM 1254 CA GLY A 84 8.445 5.813 -1.976 1.00 0.00 C ATOM 1255 C GLY A 84 9.722 6.528 -2.370 1.00 0.00 C ATOM 1256 O GLY A 84 10.072 6.586 -3.548 1.00 0.00 O ATOM 0 H GLY A 84 7.557 6.341 -3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.207 6.045 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.602 4.736 -2.034 1.00 0.00 H new ATOM 1260 N ARG A 85 10.421 7.075 -1.379 1.00 0.00 N ATOM 1261 CA ARG A 85 11.667 7.790 -1.629 1.00 0.00 C ATOM 1262 C ARG A 85 12.539 7.818 -0.373 1.00 0.00 C ATOM 1263 O ARG A 85 12.031 7.970 0.738 1.00 0.00 O ATOM 1264 CB ARG A 85 11.372 9.218 -2.093 1.00 0.00 C ATOM 1265 CG ARG A 85 11.397 9.384 -3.604 1.00 0.00 C ATOM 1266 CD ARG A 85 12.656 10.101 -4.068 1.00 0.00 C ATOM 1267 NE ARG A 85 13.669 9.169 -4.555 1.00 0.00 N ATOM 1268 CZ ARG A 85 14.928 9.513 -4.819 1.00 0.00 C ATOM 1269 NH1 ARG A 85 15.329 10.767 -4.645 1.00 0.00 N ATOM 1270 NH2 ARG A 85 15.785 8.603 -5.260 1.00 0.00 N ATOM 0 H ARG A 85 10.146 7.036 -0.398 1.00 0.00 H new ATOM 0 HA ARG A 85 12.210 7.265 -2.414 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.393 9.518 -1.719 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.103 9.894 -1.649 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.339 8.405 -4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.519 9.946 -3.923 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.401 10.805 -4.860 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.066 10.684 -3.243 1.00 0.00 H new ATOM 0 HE ARG A 85 13.396 8.197 -4.702 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.672 11.470 -4.308 1.00 0.00 H new ATOM 0 HH12 ARG A 85 16.294 11.027 -4.848 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.480 7.639 -5.397 1.00 0.00 H new ATOM 0 HH22 ARG A 85 16.749 8.866 -5.462 1.00 0.00 H new ATOM 1284 N PRO A 86 13.867 7.670 -0.532 1.00 0.00 N ATOM 1285 CA PRO A 86 14.799 7.678 0.601 1.00 0.00 C ATOM 1286 C PRO A 86 14.663 8.933 1.466 1.00 0.00 C ATOM 1287 O PRO A 86 14.565 8.839 2.689 1.00 0.00 O ATOM 1288 CB PRO A 86 16.179 7.625 -0.059 1.00 0.00 C ATOM 1289 CG PRO A 86 15.940 7.040 -1.408 1.00 0.00 C ATOM 1290 CD PRO A 86 14.563 7.482 -1.818 1.00 0.00 C ATOM 0 HA PRO A 86 14.610 6.847 1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.620 8.619 -0.133 1.00 0.00 H new ATOM 0 HB3 PRO A 86 16.870 7.012 0.520 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.688 7.386 -2.121 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.007 5.952 -1.378 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.593 8.405 -2.397 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.068 6.733 -2.437 1.00 0.00 H new ATOM 1298 N PRO A 87 14.656 10.130 0.847 1.00 0.00 N ATOM 1299 CA PRO A 87 14.531 11.391 1.583 1.00 0.00 C ATOM 1300 C PRO A 87 13.105 11.644 2.059 1.00 0.00 C ATOM 1301 O PRO A 87 12.161 11.010 1.589 1.00 0.00 O ATOM 1302 CB PRO A 87 14.947 12.439 0.553 1.00 0.00 C ATOM 1303 CG PRO A 87 14.580 11.841 -0.759 1.00 0.00 C ATOM 1304 CD PRO A 87 14.768 10.354 -0.610 1.00 0.00 C ATOM 0 HA PRO A 87 15.137 11.400 2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.429 13.384 0.717 1.00 0.00 H new ATOM 0 HB3 PRO A 87 16.015 12.648 0.609 1.00 0.00 H new ATOM 0 HG2 PRO A 87 13.549 12.079 -1.020 1.00 0.00 H new ATOM 0 HG3 PRO A 87 15.210 12.235 -1.556 1.00 0.00 H new ATOM 0 HD2 PRO A 87 14.009 9.798 -1.160 1.00 0.00 H new ATOM 0 HD3 PRO A 87 15.737 10.033 -0.991 1.00 0.00 H new ATOM 1312 N GLY A 88 12.955 12.575 2.996 1.00 0.00 N ATOM 1313 CA GLY A 88 11.639 12.896 3.518 1.00 0.00 C ATOM 1314 C GLY A 88 11.510 14.354 3.914 1.00 0.00 C ATOM 1315 O GLY A 88 10.527 15.011 3.573 1.00 0.00 O ATOM 0 H GLY A 88 13.721 13.112 3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.886 12.659 2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.433 12.268 4.385 1.00 0.00 H new ATOM 1319 N SER A 89 12.504 14.859 4.637 1.00 0.00 N ATOM 1320 CA SER A 89 12.496 16.248 5.081 1.00 0.00 C ATOM 1321 C SER A 89 13.829 16.924 4.776 1.00 0.00 C ATOM 1322 O SER A 89 13.817 17.978 4.105 1.00 0.00 O ATOM 1323 CB SER A 89 12.205 16.325 6.581 1.00 0.00 C ATOM 1324 OG SER A 89 10.843 16.040 6.852 1.00 0.00 O ATOM 1325 OXT SER A 89 14.873 16.394 5.210 1.00 0.00 O ATOM 0 H SER A 89 13.325 14.328 4.928 1.00 0.00 H new ATOM 0 HA SER A 89 11.710 16.772 4.538 1.00 0.00 H new ATOM 0 HB2 SER A 89 12.841 15.618 7.115 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.452 17.320 6.952 1.00 0.00 H new ATOM 0 HG SER A 89 10.683 16.094 7.817 1.00 0.00 H new TER 1331 SER A 89