USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 739 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 79 THR OG1 : rot -153:sc= 0.727 USER MOD Set 1.2: A 84 HIS :FLIP no HD1:sc= -3.34! C(o=-6.4!,f=-2.6!) USER MOD Set 2.1: A 67 SER OG : rot -81:sc= 0.194 USER MOD Set 2.2: A 68 CYS SG : rot -132:sc= -0.193 USER MOD Set 2.3: A 74 THR OG1 : rot -84:sc= 0.886 USER MOD Set 3.1: A 40 CYS SG : rot -102:sc= -1.17! USER MOD Set 3.2: A 42 SER OG : rot 180:sc= 0.463 USER MOD Set 4.1: A 23 GLN : amide:sc= -3.5! C(o=-5.6!,f=-7.5!) USER MOD Set 4.2: A 37 HIS : no HD1:sc= -2.14 K(o=-5.6,f=-7.7!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.507) USER MOD Single : A 3 THR OG1 : rot 180:sc= -1.23! USER MOD Single : A 8 HIS : no HD1:sc= -12.8! C(o=-13!,f=-20!) USER MOD Single : A 12 LYS NZ :NH3+ -117:sc=-0.00991 (180deg=-0.392) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 100:sc= -2.67! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -6.29! C(o=-10!,f=-6.3!) USER MOD Single : A 57 MET CE :methyl 156:sc= -0.578 (180deg=-2.39!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -0.42 F(o=-1.5,f=-0.42) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.0424 USER MOD Single : A 87 LYS NZ :NH3+ 153:sc= -1.29 (180deg=-2.68!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.67 K(o=-0.67,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -20.338 -3.908 -4.564 1.00 0.00 N ATOM 2 CA ALA A 1 -18.934 -3.908 -4.059 1.00 0.00 C ATOM 3 C ALA A 1 -18.801 -2.959 -2.866 1.00 0.00 C ATOM 4 O ALA A 1 -18.745 -1.755 -3.022 1.00 0.00 O ATOM 5 CB ALA A 1 -18.089 -3.414 -5.233 1.00 0.00 C ATOM 0 H1 ALA A 1 -20.416 -4.556 -5.374 1.00 0.00 H new ATOM 0 H2 ALA A 1 -20.979 -4.221 -3.807 1.00 0.00 H new ATOM 0 H3 ALA A 1 -20.599 -2.947 -4.863 1.00 0.00 H new ATOM 0 HA ALA A 1 -18.619 -4.894 -3.717 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.040 -3.386 -4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.211 -4.090 -6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.413 -2.413 -5.519 1.00 0.00 H new ATOM 13 N LYS A 2 -18.718 -3.492 -1.679 1.00 0.00 N ATOM 14 CA LYS A 2 -18.553 -2.621 -0.480 1.00 0.00 C ATOM 15 C LYS A 2 -17.312 -3.028 0.315 1.00 0.00 C ATOM 16 O LYS A 2 -17.020 -4.197 0.479 1.00 0.00 O ATOM 17 CB LYS A 2 -19.815 -2.839 0.353 1.00 0.00 C ATOM 18 CG LYS A 2 -20.954 -1.999 -0.223 1.00 0.00 C ATOM 19 CD LYS A 2 -20.807 -0.551 0.253 1.00 0.00 C ATOM 20 CE LYS A 2 -22.072 0.235 -0.101 1.00 0.00 C ATOM 21 NZ LYS A 2 -22.059 0.331 -1.588 1.00 0.00 N ATOM 0 H LYS A 2 -18.757 -4.493 -1.486 1.00 0.00 H new ATOM 0 HA LYS A 2 -18.421 -1.575 -0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -20.089 -3.894 0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -19.632 -2.561 1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -20.936 -2.039 -1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -21.915 -2.402 0.095 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -20.640 -0.526 1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -19.937 -0.090 -0.215 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -22.967 -0.276 0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -22.065 1.223 0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -22.699 1.092 -1.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -21.094 0.540 -1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -22.375 -0.572 -1.997 1.00 0.00 H new ATOM 35 N THR A 3 -16.639 -2.072 0.888 1.00 0.00 N ATOM 36 CA THR A 3 -15.481 -2.394 1.773 1.00 0.00 C ATOM 37 C THR A 3 -14.418 -3.193 1.010 1.00 0.00 C ATOM 38 O THR A 3 -14.665 -4.284 0.539 1.00 0.00 O ATOM 39 CB THR A 3 -16.064 -3.236 2.910 1.00 0.00 C ATOM 40 OG1 THR A 3 -17.484 -3.167 2.879 1.00 0.00 O ATOM 41 CG2 THR A 3 -15.556 -2.704 4.251 1.00 0.00 C ATOM 0 H THR A 3 -16.840 -1.077 0.783 1.00 0.00 H new ATOM 0 HA THR A 3 -14.992 -1.491 2.140 1.00 0.00 H new ATOM 0 HB THR A 3 -15.751 -4.273 2.787 1.00 0.00 H new ATOM 0 HG1 THR A 3 -17.854 -3.709 3.607 1.00 0.00 H new ATOM 0 HG21 THR A 3 -15.971 -3.304 5.061 1.00 0.00 H new ATOM 0 HG22 THR A 3 -14.468 -2.763 4.277 1.00 0.00 H new ATOM 0 HG23 THR A 3 -15.866 -1.666 4.372 1.00 0.00 H new ATOM 49 N ALA A 4 -13.210 -2.700 0.988 1.00 0.00 N ATOM 50 CA ALA A 4 -12.091 -3.473 0.379 1.00 0.00 C ATOM 51 C ALA A 4 -11.016 -3.735 1.436 1.00 0.00 C ATOM 52 O ALA A 4 -10.788 -2.921 2.311 1.00 0.00 O ATOM 53 CB ALA A 4 -11.544 -2.572 -0.730 1.00 0.00 C ATOM 0 H ALA A 4 -12.949 -1.790 1.368 1.00 0.00 H new ATOM 0 HA ALA A 4 -12.410 -4.441 -0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -10.714 -3.072 -1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -12.332 -2.367 -1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.196 -1.634 -0.298 1.00 0.00 H new ATOM 59 N ALA A 5 -10.346 -4.854 1.366 1.00 0.00 N ATOM 60 CA ALA A 5 -9.284 -5.143 2.372 1.00 0.00 C ATOM 61 C ALA A 5 -7.936 -4.662 1.841 1.00 0.00 C ATOM 62 O ALA A 5 -7.601 -4.887 0.696 1.00 0.00 O ATOM 63 CB ALA A 5 -9.291 -6.664 2.535 1.00 0.00 C ATOM 0 H ALA A 5 -10.487 -5.577 0.660 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.457 -4.639 3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.533 -6.955 3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -10.272 -6.988 2.883 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.073 -7.134 1.576 1.00 0.00 H new ATOM 69 N ALA A 6 -7.248 -3.845 2.591 1.00 0.00 N ATOM 70 CA ALA A 6 -6.036 -3.186 2.024 1.00 0.00 C ATOM 71 C ALA A 6 -4.871 -3.204 3.015 1.00 0.00 C ATOM 72 O ALA A 6 -4.983 -2.725 4.127 1.00 0.00 O ATOM 73 CB ALA A 6 -6.468 -1.748 1.749 1.00 0.00 C ATOM 0 H ALA A 6 -7.468 -3.607 3.558 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.684 -3.701 1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.631 -1.191 1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.297 -1.746 1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.785 -1.279 2.680 1.00 0.00 H new ATOM 79 N LEU A 7 -3.704 -3.537 2.537 1.00 0.00 N ATOM 80 CA LEU A 7 -2.474 -3.333 3.357 1.00 0.00 C ATOM 81 C LEU A 7 -1.659 -2.187 2.751 1.00 0.00 C ATOM 82 O LEU A 7 -1.655 -2.002 1.553 1.00 0.00 O ATOM 83 CB LEU A 7 -1.710 -4.652 3.262 1.00 0.00 C ATOM 84 CG LEU A 7 -2.605 -5.793 3.752 1.00 0.00 C ATOM 85 CD1 LEU A 7 -1.822 -7.107 3.729 1.00 0.00 C ATOM 86 CD2 LEU A 7 -3.072 -5.500 5.178 1.00 0.00 C ATOM 0 H LEU A 7 -3.548 -3.942 1.614 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.688 -3.074 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.402 -4.833 2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.802 -4.603 3.863 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.472 -5.879 3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.461 -7.918 4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.493 -7.317 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.953 -7.024 4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.709 -6.313 5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.206 -5.412 5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.634 -4.566 5.192 1.00 0.00 H new ATOM 98 N HIS A 8 -1.020 -1.380 3.552 1.00 0.00 N ATOM 99 CA HIS A 8 -0.283 -0.216 2.968 1.00 0.00 C ATOM 100 C HIS A 8 1.141 -0.131 3.510 1.00 0.00 C ATOM 101 O HIS A 8 1.354 0.040 4.695 1.00 0.00 O ATOM 102 CB HIS A 8 -1.077 1.033 3.370 1.00 0.00 C ATOM 103 CG HIS A 8 -2.421 1.011 2.701 1.00 0.00 C ATOM 104 ND1 HIS A 8 -3.532 1.634 3.247 1.00 0.00 N ATOM 105 CD2 HIS A 8 -2.845 0.451 1.524 1.00 0.00 C ATOM 106 CE1 HIS A 8 -4.562 1.435 2.405 1.00 0.00 C ATOM 107 NE2 HIS A 8 -4.197 0.718 1.338 1.00 0.00 N ATOM 0 H HIS A 8 -0.974 -1.470 4.567 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.200 -0.315 1.886 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.199 1.066 4.453 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.531 1.932 3.083 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.223 -0.112 0.844 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.562 1.809 2.571 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.784 0.429 0.555 1.00 0.00 H new ATOM 115 N ILE A 9 2.097 -0.016 2.630 1.00 0.00 N ATOM 116 CA ILE A 9 3.473 0.330 3.079 1.00 0.00 C ATOM 117 C ILE A 9 3.809 1.752 2.624 1.00 0.00 C ATOM 118 O ILE A 9 3.661 2.089 1.467 1.00 0.00 O ATOM 119 CB ILE A 9 4.393 -0.673 2.387 1.00 0.00 C ATOM 120 CG1 ILE A 9 3.992 -2.097 2.774 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.839 -0.413 2.813 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.929 -3.092 2.080 1.00 0.00 C ATOM 0 H ILE A 9 1.985 -0.146 1.625 1.00 0.00 H new ATOM 0 HA ILE A 9 3.579 0.289 4.163 1.00 0.00 H new ATOM 0 HB ILE A 9 4.305 -0.559 1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.047 -2.222 3.855 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.959 -2.288 2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.498 -1.128 2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.125 0.600 2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.926 -0.525 3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.647 -4.109 2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.852 -2.972 0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.956 -2.904 2.393 1.00 0.00 H new ATOM 134 N LEU A 10 4.284 2.580 3.512 1.00 0.00 N ATOM 135 CA LEU A 10 4.657 3.964 3.104 1.00 0.00 C ATOM 136 C LEU A 10 6.180 4.115 3.084 1.00 0.00 C ATOM 137 O LEU A 10 6.847 3.931 4.082 1.00 0.00 O ATOM 138 CB LEU A 10 4.030 4.880 4.161 1.00 0.00 C ATOM 139 CG LEU A 10 4.495 6.332 3.955 1.00 0.00 C ATOM 140 CD1 LEU A 10 5.891 6.508 4.554 1.00 0.00 C ATOM 141 CD2 LEU A 10 4.534 6.677 2.462 1.00 0.00 C ATOM 0 H LEU A 10 4.430 2.361 4.497 1.00 0.00 H new ATOM 0 HA LEU A 10 4.303 4.209 2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.943 4.827 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.309 4.540 5.158 1.00 0.00 H new ATOM 0 HG LEU A 10 3.791 7.000 4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.222 7.536 4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.860 6.284 5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.587 5.830 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.865 7.708 2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.227 6.008 1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.538 6.561 2.036 1.00 0.00 H new ATOM 153 N VAL A 11 6.729 4.439 1.948 1.00 0.00 N ATOM 154 CA VAL A 11 8.213 4.593 1.846 1.00 0.00 C ATOM 155 C VAL A 11 8.591 6.074 1.910 1.00 0.00 C ATOM 156 O VAL A 11 7.999 6.906 1.252 1.00 0.00 O ATOM 157 CB VAL A 11 8.606 3.999 0.487 1.00 0.00 C ATOM 158 CG1 VAL A 11 10.095 3.653 0.502 1.00 0.00 C ATOM 159 CG2 VAL A 11 7.793 2.729 0.213 1.00 0.00 C ATOM 0 H VAL A 11 6.216 4.605 1.082 1.00 0.00 H new ATOM 0 HA VAL A 11 8.729 4.089 2.664 1.00 0.00 H new ATOM 0 HB VAL A 11 8.401 4.729 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.380 3.230 -0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.676 4.556 0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.292 2.926 1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.079 2.315 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.990 1.995 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.731 2.972 0.203 1.00 0.00 H new ATOM 169 N LYS A 12 9.558 6.409 2.717 1.00 0.00 N ATOM 170 CA LYS A 12 9.960 7.839 2.853 1.00 0.00 C ATOM 171 C LYS A 12 10.521 8.371 1.531 1.00 0.00 C ATOM 172 O LYS A 12 10.310 9.514 1.176 1.00 0.00 O ATOM 173 CB LYS A 12 11.044 7.840 3.931 1.00 0.00 C ATOM 174 CG LYS A 12 11.538 9.270 4.156 1.00 0.00 C ATOM 175 CD LYS A 12 12.622 9.270 5.236 1.00 0.00 C ATOM 176 CE LYS A 12 13.174 10.686 5.408 1.00 0.00 C ATOM 177 NZ LYS A 12 12.103 11.433 6.126 1.00 0.00 N ATOM 0 H LYS A 12 10.089 5.754 3.290 1.00 0.00 H new ATOM 0 HA LYS A 12 9.116 8.478 3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.648 7.430 4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.873 7.201 3.628 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.935 9.680 3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.709 9.910 4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.210 8.912 6.179 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.425 8.587 4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.102 10.681 5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.395 11.143 4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.753 12.204 5.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.320 10.787 6.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.488 11.830 7.007 1.00 0.00 H new ATOM 191 N GLU A 13 11.293 7.581 0.835 1.00 0.00 N ATOM 192 CA GLU A 13 11.929 8.085 -0.417 1.00 0.00 C ATOM 193 C GLU A 13 11.831 7.040 -1.533 1.00 0.00 C ATOM 194 O GLU A 13 11.704 5.858 -1.285 1.00 0.00 O ATOM 195 CB GLU A 13 13.389 8.336 -0.040 1.00 0.00 C ATOM 196 CG GLU A 13 13.960 7.098 0.653 1.00 0.00 C ATOM 197 CD GLU A 13 15.421 7.353 1.028 1.00 0.00 C ATOM 198 OE1 GLU A 13 15.959 8.354 0.584 1.00 0.00 O ATOM 199 OE2 GLU A 13 15.977 6.544 1.752 1.00 0.00 O ATOM 0 H GLU A 13 11.510 6.614 1.077 1.00 0.00 H new ATOM 0 HA GLU A 13 11.441 8.984 -0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 13 13.971 8.567 -0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.461 9.200 0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.379 6.867 1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.888 6.233 -0.006 1.00 0.00 H new ATOM 206 N GLU A 14 11.847 7.479 -2.762 1.00 0.00 N ATOM 207 CA GLU A 14 11.707 6.530 -3.905 1.00 0.00 C ATOM 208 C GLU A 14 12.838 5.497 -3.885 1.00 0.00 C ATOM 209 O GLU A 14 12.638 4.341 -4.199 1.00 0.00 O ATOM 210 CB GLU A 14 11.800 7.403 -5.155 1.00 0.00 C ATOM 211 CG GLU A 14 11.576 6.539 -6.398 1.00 0.00 C ATOM 212 CD GLU A 14 11.668 7.414 -7.649 1.00 0.00 C ATOM 213 OE1 GLU A 14 11.709 8.625 -7.501 1.00 0.00 O ATOM 214 OE2 GLU A 14 11.699 6.859 -8.735 1.00 0.00 O ATOM 0 H GLU A 14 11.951 8.459 -3.026 1.00 0.00 H new ATOM 0 HA GLU A 14 10.772 5.972 -3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.056 8.198 -5.113 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.777 7.884 -5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.321 5.745 -6.441 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.599 6.058 -6.349 1.00 0.00 H new ATOM 221 N LYS A 15 14.033 5.917 -3.573 1.00 0.00 N ATOM 222 CA LYS A 15 15.185 4.969 -3.596 1.00 0.00 C ATOM 223 C LYS A 15 14.853 3.719 -2.780 1.00 0.00 C ATOM 224 O LYS A 15 15.018 2.606 -3.241 1.00 0.00 O ATOM 225 CB LYS A 15 16.337 5.742 -2.951 1.00 0.00 C ATOM 226 CG LYS A 15 17.591 4.865 -2.917 1.00 0.00 C ATOM 227 CD LYS A 15 17.985 4.478 -4.344 1.00 0.00 C ATOM 228 CE LYS A 15 19.375 3.837 -4.330 1.00 0.00 C ATOM 229 NZ LYS A 15 19.352 2.847 -5.443 1.00 0.00 N ATOM 0 H LYS A 15 14.262 6.874 -3.303 1.00 0.00 H new ATOM 0 HA LYS A 15 15.430 4.633 -4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.535 6.655 -3.513 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.064 6.043 -1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 15 18.409 5.401 -2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.405 3.969 -2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.256 3.782 -4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 15 17.985 5.360 -4.985 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.155 4.583 -4.481 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.577 3.353 -3.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.272 2.365 -5.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.604 2.146 -5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.164 3.338 -6.340 1.00 0.00 H new ATOM 243 N LEU A 16 14.301 3.889 -1.611 1.00 0.00 N ATOM 244 CA LEU A 16 13.862 2.702 -0.825 1.00 0.00 C ATOM 245 C LEU A 16 12.683 2.031 -1.533 1.00 0.00 C ATOM 246 O LEU A 16 12.622 0.823 -1.649 1.00 0.00 O ATOM 247 CB LEU A 16 13.437 3.252 0.538 1.00 0.00 C ATOM 248 CG LEU A 16 13.304 2.097 1.533 1.00 0.00 C ATOM 249 CD1 LEU A 16 13.438 2.636 2.959 1.00 0.00 C ATOM 250 CD2 LEU A 16 11.938 1.428 1.369 1.00 0.00 C ATOM 0 H LEU A 16 14.135 4.793 -1.168 1.00 0.00 H new ATOM 0 HA LEU A 16 14.648 1.954 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.172 3.973 0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.488 3.781 0.449 1.00 0.00 H new ATOM 0 HG LEU A 16 14.089 1.365 1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.343 1.814 3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.413 3.109 3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.653 3.369 3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.848 0.606 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.151 2.158 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.841 1.042 0.354 1.00 0.00 H new ATOM 262 N ALA A 17 11.785 2.812 -2.070 1.00 0.00 N ATOM 263 CA ALA A 17 10.655 2.223 -2.845 1.00 0.00 C ATOM 264 C ALA A 17 11.204 1.366 -3.987 1.00 0.00 C ATOM 265 O ALA A 17 10.803 0.235 -4.173 1.00 0.00 O ATOM 266 CB ALA A 17 9.888 3.425 -3.397 1.00 0.00 C ATOM 0 H ALA A 17 11.785 3.830 -2.006 1.00 0.00 H new ATOM 0 HA ALA A 17 10.019 1.580 -2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.037 3.076 -3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.532 4.040 -2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.547 4.017 -4.032 1.00 0.00 H new ATOM 272 N LEU A 18 12.212 1.847 -4.664 1.00 0.00 N ATOM 273 CA LEU A 18 12.888 1.001 -5.686 1.00 0.00 C ATOM 274 C LEU A 18 13.457 -0.254 -5.020 1.00 0.00 C ATOM 275 O LEU A 18 13.248 -1.361 -5.474 1.00 0.00 O ATOM 276 CB LEU A 18 14.017 1.875 -6.237 1.00 0.00 C ATOM 277 CG LEU A 18 13.685 2.297 -7.669 1.00 0.00 C ATOM 278 CD1 LEU A 18 14.010 3.781 -7.849 1.00 0.00 C ATOM 279 CD2 LEU A 18 14.519 1.470 -8.650 1.00 0.00 C ATOM 0 H LEU A 18 12.595 2.786 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 18 12.210 0.671 -6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.149 2.756 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.958 1.326 -6.218 1.00 0.00 H new ATOM 0 HG LEU A 18 12.625 2.130 -7.862 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.774 4.084 -8.869 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.418 4.371 -7.149 1.00 0.00 H new ATOM 0 HD13 LEU A 18 15.070 3.947 -7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.283 1.770 -9.671 1.00 0.00 H new ATOM 0 HD22 LEU A 18 15.579 1.638 -8.458 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.290 0.412 -8.521 1.00 0.00 H new ATOM 291 N ASP A 19 14.131 -0.088 -3.915 1.00 0.00 N ATOM 292 CA ASP A 19 14.665 -1.269 -3.182 1.00 0.00 C ATOM 293 C ASP A 19 13.518 -2.194 -2.763 1.00 0.00 C ATOM 294 O ASP A 19 13.619 -3.402 -2.853 1.00 0.00 O ATOM 295 CB ASP A 19 15.361 -0.689 -1.952 1.00 0.00 C ATOM 296 CG ASP A 19 16.301 -1.738 -1.354 1.00 0.00 C ATOM 297 OD1 ASP A 19 15.804 -2.708 -0.807 1.00 0.00 O ATOM 298 OD2 ASP A 19 17.503 -1.553 -1.452 1.00 0.00 O ATOM 0 H ASP A 19 14.335 0.816 -3.488 1.00 0.00 H new ATOM 0 HA ASP A 19 15.345 -1.862 -3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.923 0.204 -2.226 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.621 -0.385 -1.212 1.00 0.00 H new ATOM 303 N LEU A 20 12.417 -1.639 -2.330 1.00 0.00 N ATOM 304 CA LEU A 20 11.261 -2.492 -1.937 1.00 0.00 C ATOM 305 C LEU A 20 10.759 -3.267 -3.160 1.00 0.00 C ATOM 306 O LEU A 20 10.584 -4.465 -3.118 1.00 0.00 O ATOM 307 CB LEU A 20 10.219 -1.490 -1.377 1.00 0.00 C ATOM 308 CG LEU A 20 8.871 -1.569 -2.118 1.00 0.00 C ATOM 309 CD1 LEU A 20 8.258 -2.959 -1.940 1.00 0.00 C ATOM 310 CD2 LEU A 20 7.917 -0.521 -1.544 1.00 0.00 C ATOM 0 H LEU A 20 12.270 -0.634 -2.232 1.00 0.00 H new ATOM 0 HA LEU A 20 11.499 -3.251 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.060 -1.690 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.614 -0.477 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 20 9.034 -1.381 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.305 -3.007 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.935 -3.710 -2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.096 -3.152 -0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.962 -0.574 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.761 -0.713 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.347 0.472 -1.674 1.00 0.00 H new ATOM 322 N LEU A 21 10.491 -2.583 -4.230 1.00 0.00 N ATOM 323 CA LEU A 21 9.951 -3.269 -5.435 1.00 0.00 C ATOM 324 C LEU A 21 10.904 -4.383 -5.866 1.00 0.00 C ATOM 325 O LEU A 21 10.515 -5.527 -5.997 1.00 0.00 O ATOM 326 CB LEU A 21 9.859 -2.177 -6.505 1.00 0.00 C ATOM 327 CG LEU A 21 8.616 -1.317 -6.252 1.00 0.00 C ATOM 328 CD1 LEU A 21 9.023 0.153 -6.099 1.00 0.00 C ATOM 329 CD2 LEU A 21 7.654 -1.456 -7.434 1.00 0.00 C ATOM 0 H LEU A 21 10.622 -1.576 -4.325 1.00 0.00 H new ATOM 0 HA LEU A 21 8.982 -3.734 -5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.754 -1.556 -6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.807 -2.628 -7.496 1.00 0.00 H new ATOM 0 HG LEU A 21 8.127 -1.652 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.135 0.760 -5.919 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.709 0.255 -5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.515 0.491 -7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.769 -0.845 -7.256 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.148 -1.122 -8.346 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.359 -2.500 -7.542 1.00 0.00 H new ATOM 341 N GLU A 22 12.174 -4.092 -5.925 1.00 0.00 N ATOM 342 CA GLU A 22 13.170 -5.175 -6.157 1.00 0.00 C ATOM 343 C GLU A 22 13.077 -6.207 -5.029 1.00 0.00 C ATOM 344 O GLU A 22 13.205 -7.396 -5.244 1.00 0.00 O ATOM 345 CB GLU A 22 14.529 -4.471 -6.135 1.00 0.00 C ATOM 346 CG GLU A 22 15.640 -5.490 -6.393 1.00 0.00 C ATOM 347 CD GLU A 22 16.996 -4.781 -6.371 1.00 0.00 C ATOM 348 OE1 GLU A 22 17.037 -3.639 -5.942 1.00 0.00 O ATOM 349 OE2 GLU A 22 17.967 -5.390 -6.787 1.00 0.00 O ATOM 0 H GLU A 22 12.564 -3.155 -5.823 1.00 0.00 H new ATOM 0 HA GLU A 22 13.006 -5.706 -7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.557 -3.688 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.683 -3.986 -5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.614 -6.272 -5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.487 -5.975 -7.357 1.00 0.00 H new ATOM 356 N GLN A 23 12.897 -5.749 -3.819 1.00 0.00 N ATOM 357 CA GLN A 23 12.842 -6.680 -2.656 1.00 0.00 C ATOM 358 C GLN A 23 11.685 -7.678 -2.803 1.00 0.00 C ATOM 359 O GLN A 23 11.805 -8.829 -2.434 1.00 0.00 O ATOM 360 CB GLN A 23 12.635 -5.780 -1.436 1.00 0.00 C ATOM 361 CG GLN A 23 12.563 -6.636 -0.171 1.00 0.00 C ATOM 362 CD GLN A 23 12.560 -5.727 1.059 1.00 0.00 C ATOM 363 OE1 GLN A 23 12.791 -4.539 0.950 1.00 0.00 O ATOM 364 NE2 GLN A 23 12.303 -6.236 2.233 1.00 0.00 N ATOM 0 H GLN A 23 12.785 -4.762 -3.585 1.00 0.00 H new ATOM 0 HA GLN A 23 13.749 -7.279 -2.572 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.454 -5.065 -1.357 1.00 0.00 H new ATOM 0 HB3 GLN A 23 11.717 -5.203 -1.549 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.662 -7.250 -0.185 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.413 -7.317 -0.131 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.109 -7.233 2.325 1.00 0.00 H new ATOM 0 HE22 GLN A 23 12.296 -5.637 3.058 1.00 0.00 H new ATOM 373 N ILE A 24 10.546 -7.242 -3.279 1.00 0.00 N ATOM 374 CA ILE A 24 9.382 -8.176 -3.365 1.00 0.00 C ATOM 375 C ILE A 24 9.725 -9.345 -4.292 1.00 0.00 C ATOM 376 O ILE A 24 9.417 -10.482 -4.012 1.00 0.00 O ATOM 377 CB ILE A 24 8.227 -7.366 -3.960 1.00 0.00 C ATOM 378 CG1 ILE A 24 7.974 -6.105 -3.130 1.00 0.00 C ATOM 379 CG2 ILE A 24 6.958 -8.220 -3.959 1.00 0.00 C ATOM 380 CD1 ILE A 24 7.960 -6.453 -1.641 1.00 0.00 C ATOM 0 H ILE A 24 10.372 -6.292 -3.608 1.00 0.00 H new ATOM 0 HA ILE A 24 9.123 -8.583 -2.388 1.00 0.00 H new ATOM 0 HB ILE A 24 8.490 -7.078 -4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.749 -5.365 -3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.023 -5.656 -3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.133 -7.647 -4.382 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.122 -9.116 -4.558 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.713 -8.507 -2.936 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.779 -5.550 -1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.169 -7.176 -1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.922 -6.881 -1.358 1.00 0.00 H new ATOM 392 N LYS A 25 10.399 -9.087 -5.376 1.00 0.00 N ATOM 393 CA LYS A 25 10.799 -10.197 -6.271 1.00 0.00 C ATOM 394 C LYS A 25 11.793 -11.121 -5.555 1.00 0.00 C ATOM 395 O LYS A 25 11.568 -12.307 -5.422 1.00 0.00 O ATOM 396 CB LYS A 25 11.457 -9.503 -7.460 1.00 0.00 C ATOM 397 CG LYS A 25 11.984 -10.558 -8.422 1.00 0.00 C ATOM 398 CD LYS A 25 12.646 -9.875 -9.621 1.00 0.00 C ATOM 399 CE LYS A 25 13.010 -10.927 -10.671 1.00 0.00 C ATOM 400 NZ LYS A 25 13.221 -10.153 -11.927 1.00 0.00 N ATOM 0 H LYS A 25 10.688 -8.156 -5.678 1.00 0.00 H new ATOM 0 HA LYS A 25 9.959 -10.822 -6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.737 -8.859 -7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.272 -8.864 -7.119 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.703 -11.201 -7.914 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.168 -11.197 -8.760 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.970 -9.136 -10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.541 -9.341 -9.301 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.909 -11.474 -10.388 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.213 -11.662 -10.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.475 -10.804 -12.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.346 -9.648 -12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.989 -9.466 -11.787 1.00 0.00 H new ATOM 414 N ASN A 26 12.887 -10.581 -5.084 1.00 0.00 N ATOM 415 CA ASN A 26 13.892 -11.421 -4.366 1.00 0.00 C ATOM 416 C ASN A 26 13.273 -12.071 -3.130 1.00 0.00 C ATOM 417 O ASN A 26 13.537 -13.216 -2.821 1.00 0.00 O ATOM 418 CB ASN A 26 14.984 -10.447 -3.934 1.00 0.00 C ATOM 419 CG ASN A 26 16.158 -11.227 -3.335 1.00 0.00 C ATOM 420 OD1 ASN A 26 16.495 -11.049 -2.182 1.00 0.00 O ATOM 421 ND2 ASN A 26 16.798 -12.096 -4.073 1.00 0.00 N ATOM 0 H ASN A 26 13.128 -9.593 -5.166 1.00 0.00 H new ATOM 0 HA ASN A 26 14.267 -12.224 -5.000 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.322 -9.861 -4.789 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.589 -9.744 -3.201 1.00 0.00 H new ATOM 0 HD21 ASN A 26 17.578 -12.622 -3.680 1.00 0.00 H new ATOM 0 HD22 ASN A 26 16.517 -12.248 -5.042 1.00 0.00 H new ATOM 428 N GLY A 27 12.635 -11.281 -2.313 1.00 0.00 N ATOM 429 CA GLY A 27 12.220 -11.779 -0.976 1.00 0.00 C ATOM 430 C GLY A 27 10.711 -12.034 -0.953 1.00 0.00 C ATOM 431 O GLY A 27 10.212 -12.744 -0.104 1.00 0.00 O ATOM 0 H GLY A 27 12.384 -10.313 -2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.755 -12.699 -0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.485 -11.050 -0.210 1.00 0.00 H new ATOM 435 N ALA A 28 9.988 -11.442 -1.870 1.00 0.00 N ATOM 436 CA ALA A 28 8.501 -11.609 -1.909 1.00 0.00 C ATOM 437 C ALA A 28 7.916 -11.736 -0.505 1.00 0.00 C ATOM 438 O ALA A 28 7.884 -12.802 0.078 1.00 0.00 O ATOM 439 CB ALA A 28 8.268 -12.887 -2.709 1.00 0.00 C ATOM 0 H ALA A 28 10.369 -10.843 -2.602 1.00 0.00 H new ATOM 0 HA ALA A 28 8.013 -10.745 -2.359 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.198 -13.080 -2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.686 -12.772 -3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.754 -13.724 -2.207 1.00 0.00 H new ATOM 445 N ASP A 29 7.478 -10.643 0.048 1.00 0.00 N ATOM 446 CA ASP A 29 6.920 -10.672 1.424 1.00 0.00 C ATOM 447 C ASP A 29 6.421 -9.275 1.800 1.00 0.00 C ATOM 448 O ASP A 29 7.105 -8.518 2.459 1.00 0.00 O ATOM 449 CB ASP A 29 8.099 -11.088 2.297 1.00 0.00 C ATOM 450 CG ASP A 29 7.817 -12.452 2.933 1.00 0.00 C ATOM 451 OD1 ASP A 29 6.783 -13.025 2.630 1.00 0.00 O ATOM 452 OD2 ASP A 29 8.642 -12.902 3.711 1.00 0.00 O ATOM 0 H ASP A 29 7.483 -9.725 -0.397 1.00 0.00 H new ATOM 0 HA ASP A 29 6.074 -11.350 1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.008 -11.137 1.697 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.269 -10.342 3.074 1.00 0.00 H new ATOM 457 N PHE A 30 5.288 -8.889 1.285 1.00 0.00 N ATOM 458 CA PHE A 30 4.811 -7.494 1.498 1.00 0.00 C ATOM 459 C PHE A 30 4.631 -7.202 2.993 1.00 0.00 C ATOM 460 O PHE A 30 4.980 -6.143 3.471 1.00 0.00 O ATOM 461 CB PHE A 30 3.467 -7.422 0.771 1.00 0.00 C ATOM 462 CG PHE A 30 3.655 -6.760 -0.574 1.00 0.00 C ATOM 463 CD1 PHE A 30 3.644 -5.361 -0.670 1.00 0.00 C ATOM 464 CD2 PHE A 30 3.838 -7.539 -1.726 1.00 0.00 C ATOM 465 CE1 PHE A 30 3.816 -4.742 -1.916 1.00 0.00 C ATOM 466 CE2 PHE A 30 4.011 -6.920 -2.972 1.00 0.00 C ATOM 467 CZ PHE A 30 4.000 -5.521 -3.066 1.00 0.00 C ATOM 0 H PHE A 30 4.671 -9.479 0.726 1.00 0.00 H new ATOM 0 HA PHE A 30 5.522 -6.758 1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.058 -8.424 0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.749 -6.860 1.368 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.503 -4.760 0.216 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.846 -8.617 -1.653 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.807 -3.665 -1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.153 -7.520 -3.859 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.133 -5.044 -4.026 1.00 0.00 H new ATOM 477 N GLY A 31 4.062 -8.117 3.728 1.00 0.00 N ATOM 478 CA GLY A 31 3.830 -7.865 5.180 1.00 0.00 C ATOM 479 C GLY A 31 5.169 -7.644 5.890 1.00 0.00 C ATOM 480 O GLY A 31 5.325 -6.729 6.679 1.00 0.00 O ATOM 0 H GLY A 31 3.748 -9.026 3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.191 -6.991 5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.307 -8.711 5.626 1.00 0.00 H new ATOM 484 N LYS A 32 6.128 -8.496 5.644 1.00 0.00 N ATOM 485 CA LYS A 32 7.443 -8.363 6.335 1.00 0.00 C ATOM 486 C LYS A 32 8.120 -7.050 5.936 1.00 0.00 C ATOM 487 O LYS A 32 8.693 -6.362 6.754 1.00 0.00 O ATOM 488 CB LYS A 32 8.265 -9.561 5.864 1.00 0.00 C ATOM 489 CG LYS A 32 9.569 -9.628 6.661 1.00 0.00 C ATOM 490 CD LYS A 32 10.394 -10.828 6.190 1.00 0.00 C ATOM 491 CE LYS A 32 11.680 -10.920 7.015 1.00 0.00 C ATOM 492 NZ LYS A 32 12.275 -12.236 6.647 1.00 0.00 N ATOM 0 H LYS A 32 6.057 -9.279 4.994 1.00 0.00 H new ATOM 0 HA LYS A 32 7.339 -8.347 7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.696 -10.481 5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.481 -9.472 4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.137 -8.707 6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.353 -9.717 7.726 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.815 -11.745 6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.635 -10.724 5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.359 -10.100 6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.470 -10.866 8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.162 -12.375 7.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.608 -12.998 6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.470 -12.255 5.626 1.00 0.00 H new ATOM 506 N LEU A 33 8.036 -6.678 4.693 1.00 0.00 N ATOM 507 CA LEU A 33 8.648 -5.391 4.271 1.00 0.00 C ATOM 508 C LEU A 33 7.951 -4.224 4.966 1.00 0.00 C ATOM 509 O LEU A 33 8.576 -3.254 5.346 1.00 0.00 O ATOM 510 CB LEU A 33 8.438 -5.320 2.760 1.00 0.00 C ATOM 511 CG LEU A 33 8.820 -3.927 2.263 1.00 0.00 C ATOM 512 CD1 LEU A 33 10.289 -3.651 2.589 1.00 0.00 C ATOM 513 CD2 LEU A 33 8.607 -3.847 0.751 1.00 0.00 C ATOM 0 H LEU A 33 7.573 -7.206 3.953 1.00 0.00 H new ATOM 0 HA LEU A 33 9.704 -5.333 4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.044 -6.076 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.398 -5.534 2.515 1.00 0.00 H new ATOM 0 HG LEU A 33 8.195 -3.183 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.560 -2.657 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.439 -3.704 3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.917 -4.395 2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.880 -2.853 0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.230 -4.592 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.559 -4.039 0.521 1.00 0.00 H new ATOM 525 N ALA A 34 6.657 -4.284 5.094 1.00 0.00 N ATOM 526 CA ALA A 34 5.926 -3.147 5.713 1.00 0.00 C ATOM 527 C ALA A 34 6.432 -2.900 7.136 1.00 0.00 C ATOM 528 O ALA A 34 6.794 -1.797 7.488 1.00 0.00 O ATOM 529 CB ALA A 34 4.462 -3.583 5.734 1.00 0.00 C ATOM 0 H ALA A 34 6.076 -5.068 4.798 1.00 0.00 H new ATOM 0 HA ALA A 34 6.068 -2.218 5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.854 -2.795 6.178 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.124 -3.772 4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.362 -4.494 6.324 1.00 0.00 H new ATOM 535 N LYS A 35 6.456 -3.909 7.966 1.00 0.00 N ATOM 536 CA LYS A 35 6.934 -3.688 9.364 1.00 0.00 C ATOM 537 C LYS A 35 8.404 -3.247 9.364 1.00 0.00 C ATOM 538 O LYS A 35 8.819 -2.438 10.170 1.00 0.00 O ATOM 539 CB LYS A 35 6.759 -5.033 10.083 1.00 0.00 C ATOM 540 CG LYS A 35 7.909 -5.977 9.725 1.00 0.00 C ATOM 541 CD LYS A 35 7.720 -7.312 10.450 1.00 0.00 C ATOM 542 CE LYS A 35 8.937 -8.207 10.194 1.00 0.00 C ATOM 543 NZ LYS A 35 8.701 -9.431 11.016 1.00 0.00 N ATOM 0 H LYS A 35 6.170 -4.862 7.743 1.00 0.00 H new ATOM 0 HA LYS A 35 6.373 -2.899 9.865 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.730 -4.876 11.161 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.808 -5.484 9.801 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.939 -6.138 8.647 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.862 -5.530 10.008 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.598 -7.143 11.520 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.813 -7.804 10.099 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.029 -8.454 9.136 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.861 -7.708 10.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.495 -10.091 10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.625 -9.166 12.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.819 -9.889 10.711 1.00 0.00 H new ATOM 557 N LYS A 36 9.212 -3.850 8.533 1.00 0.00 N ATOM 558 CA LYS A 36 10.674 -3.553 8.559 1.00 0.00 C ATOM 559 C LYS A 36 10.954 -2.084 8.218 1.00 0.00 C ATOM 560 O LYS A 36 11.827 -1.467 8.796 1.00 0.00 O ATOM 561 CB LYS A 36 11.276 -4.471 7.494 1.00 0.00 C ATOM 562 CG LYS A 36 12.798 -4.309 7.481 1.00 0.00 C ATOM 563 CD LYS A 36 13.398 -5.228 6.415 1.00 0.00 C ATOM 564 CE LYS A 36 14.921 -5.076 6.407 1.00 0.00 C ATOM 565 NZ LYS A 36 15.396 -6.053 5.388 1.00 0.00 N ATOM 0 H LYS A 36 8.922 -4.536 7.836 1.00 0.00 H new ATOM 0 HA LYS A 36 11.101 -3.720 9.548 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.012 -5.508 7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.865 -4.227 6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.063 -3.272 7.274 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.209 -4.553 8.461 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.127 -6.264 6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.992 -4.979 5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.216 -4.059 6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.345 -5.290 7.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.433 -6.010 5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.106 -7.012 5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.981 -5.820 4.463 1.00 0.00 H new ATOM 579 N HIS A 37 10.366 -1.583 7.163 1.00 0.00 N ATOM 580 CA HIS A 37 10.779 -0.235 6.663 1.00 0.00 C ATOM 581 C HIS A 37 9.764 0.846 7.056 1.00 0.00 C ATOM 582 O HIS A 37 10.031 2.024 6.926 1.00 0.00 O ATOM 583 CB HIS A 37 10.831 -0.378 5.141 1.00 0.00 C ATOM 584 CG HIS A 37 12.099 -1.082 4.743 1.00 0.00 C ATOM 585 ND1 HIS A 37 12.334 -1.500 3.442 1.00 0.00 N ATOM 586 CD2 HIS A 37 13.210 -1.448 5.462 1.00 0.00 C ATOM 587 CE1 HIS A 37 13.544 -2.087 3.418 1.00 0.00 C ATOM 588 NE2 HIS A 37 14.122 -2.082 4.622 1.00 0.00 N ATOM 0 H HIS A 37 9.626 -2.041 6.630 1.00 0.00 H new ATOM 0 HA HIS A 37 11.734 0.071 7.090 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.966 -0.939 4.789 1.00 0.00 H new ATOM 0 HB3 HIS A 37 10.786 0.605 4.672 1.00 0.00 H new ATOM 0 HD2 HIS A 37 13.355 -1.271 6.518 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.994 -2.511 2.532 1.00 0.00 H new ATOM 0 HE2 HIS A 37 15.035 -2.461 4.872 1.00 0.00 H new ATOM 596 N SER A 38 8.571 0.468 7.422 1.00 0.00 N ATOM 597 CA SER A 38 7.522 1.495 7.684 1.00 0.00 C ATOM 598 C SER A 38 7.959 2.439 8.809 1.00 0.00 C ATOM 599 O SER A 38 7.780 3.636 8.719 1.00 0.00 O ATOM 600 CB SER A 38 6.280 0.707 8.097 1.00 0.00 C ATOM 601 OG SER A 38 5.251 1.610 8.472 1.00 0.00 O ATOM 0 H SER A 38 8.277 -0.500 7.551 1.00 0.00 H new ATOM 0 HA SER A 38 7.336 2.117 6.808 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.944 0.078 7.273 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.517 0.043 8.928 1.00 0.00 H new ATOM 0 HG SER A 38 4.620 1.714 7.729 1.00 0.00 H new ATOM 607 N ILE A 39 8.504 1.902 9.874 1.00 0.00 N ATOM 608 CA ILE A 39 8.926 2.756 11.031 1.00 0.00 C ATOM 609 C ILE A 39 7.938 3.909 11.240 1.00 0.00 C ATOM 610 O ILE A 39 8.308 4.995 11.637 1.00 0.00 O ATOM 611 CB ILE A 39 10.308 3.292 10.660 1.00 0.00 C ATOM 612 CG1 ILE A 39 10.221 4.113 9.374 1.00 0.00 C ATOM 613 CG2 ILE A 39 11.267 2.119 10.450 1.00 0.00 C ATOM 614 CD1 ILE A 39 11.542 4.850 9.164 1.00 0.00 C ATOM 0 H ILE A 39 8.676 0.904 9.993 1.00 0.00 H new ATOM 0 HA ILE A 39 8.949 2.191 11.963 1.00 0.00 H new ATOM 0 HB ILE A 39 10.674 3.928 11.466 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.014 3.462 8.525 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.398 4.825 9.437 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.254 2.499 10.185 1.00 0.00 H new ATOM 0 HG22 ILE A 39 11.337 1.537 11.369 1.00 0.00 H new ATOM 0 HG23 ILE A 39 10.895 1.484 9.646 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.489 5.439 8.248 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.728 5.511 10.010 1.00 0.00 H new ATOM 0 HD13 ILE A 39 12.353 4.127 9.084 1.00 0.00 H new ATOM 626 N CYS A 40 6.696 3.695 10.903 1.00 0.00 N ATOM 627 CA CYS A 40 5.689 4.790 10.999 1.00 0.00 C ATOM 628 C CYS A 40 4.502 4.332 11.853 1.00 0.00 C ATOM 629 O CYS A 40 4.118 3.182 11.805 1.00 0.00 O ATOM 630 CB CYS A 40 5.256 5.032 9.550 1.00 0.00 C ATOM 631 SG CYS A 40 3.938 6.269 9.494 1.00 0.00 S ATOM 0 H CYS A 40 6.333 2.804 10.563 1.00 0.00 H new ATOM 0 HA CYS A 40 6.083 5.693 11.466 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.108 5.370 8.959 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.909 4.099 9.105 1.00 0.00 H new ATOM 0 HG CYS A 40 2.794 5.677 9.321 1.00 0.00 H new ATOM 637 N PRO A 41 3.950 5.250 12.603 1.00 0.00 N ATOM 638 CA PRO A 41 2.785 4.922 13.459 1.00 0.00 C ATOM 639 C PRO A 41 1.716 4.180 12.649 1.00 0.00 C ATOM 640 O PRO A 41 0.914 3.445 13.192 1.00 0.00 O ATOM 641 CB PRO A 41 2.278 6.286 13.918 1.00 0.00 C ATOM 642 CG PRO A 41 3.462 7.197 13.817 1.00 0.00 C ATOM 643 CD PRO A 41 4.354 6.656 12.727 1.00 0.00 C ATOM 0 HA PRO A 41 3.038 4.268 14.293 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.458 6.634 13.289 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.900 6.243 14.939 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.145 8.214 13.585 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.997 7.238 14.766 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.213 7.196 11.791 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.408 6.747 12.991 1.00 0.00 H new ATOM 651 N SER A 42 1.738 4.316 11.351 1.00 0.00 N ATOM 652 CA SER A 42 0.766 3.560 10.508 1.00 0.00 C ATOM 653 C SER A 42 1.446 2.341 9.883 1.00 0.00 C ATOM 654 O SER A 42 0.897 1.690 9.017 1.00 0.00 O ATOM 655 CB SER A 42 0.319 4.542 9.424 1.00 0.00 C ATOM 656 OG SER A 42 1.272 5.588 9.309 1.00 0.00 O ATOM 0 H SER A 42 2.384 4.916 10.838 1.00 0.00 H new ATOM 0 HA SER A 42 -0.079 3.190 11.089 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.215 4.024 8.470 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.660 4.953 9.672 1.00 0.00 H new ATOM 0 HG SER A 42 0.986 6.216 8.613 1.00 0.00 H new ATOM 662 N GLY A 43 2.574 1.948 10.404 1.00 0.00 N ATOM 663 CA GLY A 43 3.203 0.684 9.936 1.00 0.00 C ATOM 664 C GLY A 43 2.500 -0.494 10.612 1.00 0.00 C ATOM 665 O GLY A 43 1.942 -1.356 9.964 1.00 0.00 O ATOM 0 H GLY A 43 3.086 2.446 11.132 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.122 0.601 8.852 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.266 0.679 10.178 1.00 0.00 H new ATOM 669 N LYS A 44 2.473 -0.501 11.918 1.00 0.00 N ATOM 670 CA LYS A 44 1.747 -1.579 12.647 1.00 0.00 C ATOM 671 C LYS A 44 0.263 -1.576 12.265 1.00 0.00 C ATOM 672 O LYS A 44 -0.359 -2.614 12.154 1.00 0.00 O ATOM 673 CB LYS A 44 1.917 -1.235 14.128 1.00 0.00 C ATOM 674 CG LYS A 44 3.373 -1.461 14.541 1.00 0.00 C ATOM 675 CD LYS A 44 3.542 -1.116 16.023 1.00 0.00 C ATOM 676 CE LYS A 44 4.999 -1.341 16.435 1.00 0.00 C ATOM 677 NZ LYS A 44 4.985 -1.313 17.925 1.00 0.00 N ATOM 0 H LYS A 44 2.924 0.195 12.512 1.00 0.00 H new ATOM 0 HA LYS A 44 2.133 -2.570 12.408 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.634 -0.197 14.306 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.256 -1.854 14.734 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.656 -2.499 14.364 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.035 -0.842 13.935 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.258 -0.079 16.201 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.881 -1.735 16.629 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.372 -2.294 16.061 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.648 -0.564 16.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.950 -1.461 18.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.631 -0.391 18.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.364 -2.068 18.281 1.00 0.00 H new ATOM 691 N ARG A 45 -0.326 -0.419 12.124 1.00 0.00 N ATOM 692 CA ARG A 45 -1.782 -0.357 11.823 1.00 0.00 C ATOM 693 C ARG A 45 -2.015 -0.180 10.319 1.00 0.00 C ATOM 694 O ARG A 45 -2.904 -0.779 9.747 1.00 0.00 O ATOM 695 CB ARG A 45 -2.287 0.858 12.603 1.00 0.00 C ATOM 696 CG ARG A 45 -3.666 1.251 12.083 1.00 0.00 C ATOM 697 CD ARG A 45 -4.672 0.149 12.425 1.00 0.00 C ATOM 698 NE ARG A 45 -5.978 0.639 11.899 1.00 0.00 N ATOM 699 CZ ARG A 45 -6.705 1.469 12.602 1.00 0.00 C ATOM 700 NH1 ARG A 45 -6.281 1.905 13.757 1.00 0.00 N ATOM 701 NH2 ARG A 45 -7.859 1.869 12.141 1.00 0.00 N ATOM 0 H ARG A 45 0.140 0.485 12.205 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.304 -1.271 12.107 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.339 0.626 13.667 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.592 1.691 12.492 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.979 2.195 12.528 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.630 1.404 11.004 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.391 -0.798 11.964 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.719 -0.022 13.500 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.307 0.325 10.986 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.377 1.599 14.117 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.853 2.552 14.299 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.190 1.534 11.236 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.429 2.516 12.686 1.00 0.00 H new ATOM 715 N GLY A 46 -1.217 0.623 9.671 1.00 0.00 N ATOM 716 CA GLY A 46 -1.389 0.818 8.203 1.00 0.00 C ATOM 717 C GLY A 46 -0.823 -0.398 7.466 1.00 0.00 C ATOM 718 O GLY A 46 -1.219 -0.704 6.360 1.00 0.00 O ATOM 0 H GLY A 46 -0.454 1.152 10.093 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.444 0.946 7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.876 1.725 7.882 1.00 0.00 H new ATOM 722 N GLY A 47 0.000 -1.167 8.128 1.00 0.00 N ATOM 723 CA GLY A 47 0.472 -2.448 7.527 1.00 0.00 C ATOM 724 C GLY A 47 -0.651 -3.488 7.606 1.00 0.00 C ATOM 725 O GLY A 47 -0.501 -4.613 7.171 1.00 0.00 O ATOM 0 H GLY A 47 0.365 -0.964 9.058 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.765 -2.290 6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.355 -2.808 8.056 1.00 0.00 H new ATOM 729 N ASP A 48 -1.778 -3.116 8.151 1.00 0.00 N ATOM 730 CA ASP A 48 -2.919 -4.066 8.255 1.00 0.00 C ATOM 731 C ASP A 48 -4.150 -3.311 8.757 1.00 0.00 C ATOM 732 O ASP A 48 -4.524 -3.401 9.910 1.00 0.00 O ATOM 733 CB ASP A 48 -2.474 -5.115 9.275 1.00 0.00 C ATOM 734 CG ASP A 48 -3.370 -6.350 9.162 1.00 0.00 C ATOM 735 OD1 ASP A 48 -4.378 -6.265 8.480 1.00 0.00 O ATOM 736 OD2 ASP A 48 -3.034 -7.359 9.760 1.00 0.00 O ATOM 0 H ASP A 48 -1.957 -2.187 8.531 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.179 -4.526 7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.434 -5.390 9.099 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.529 -4.704 10.283 1.00 0.00 H new ATOM 741 N LEU A 49 -4.733 -2.504 7.914 1.00 0.00 N ATOM 742 CA LEU A 49 -5.883 -1.662 8.352 1.00 0.00 C ATOM 743 C LEU A 49 -7.165 -2.497 8.364 1.00 0.00 C ATOM 744 O LEU A 49 -8.182 -2.084 8.884 1.00 0.00 O ATOM 745 CB LEU A 49 -5.978 -0.547 7.309 1.00 0.00 C ATOM 746 CG LEU A 49 -4.729 0.340 7.378 1.00 0.00 C ATOM 747 CD1 LEU A 49 -4.359 0.808 5.969 1.00 0.00 C ATOM 748 CD2 LEU A 49 -5.012 1.560 8.258 1.00 0.00 C ATOM 0 H LEU A 49 -4.462 -2.391 6.937 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.749 -1.265 9.358 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.075 -0.977 6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.871 0.053 7.485 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.904 -0.231 7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.471 1.439 6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.155 -0.058 5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.186 1.378 5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.123 2.189 8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.838 2.131 7.834 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.277 1.230 9.263 1.00 0.00 H new ATOM 760 N GLY A 50 -7.131 -3.656 7.767 1.00 0.00 N ATOM 761 CA GLY A 50 -8.354 -4.501 7.714 1.00 0.00 C ATOM 762 C GLY A 50 -9.173 -4.125 6.479 1.00 0.00 C ATOM 763 O GLY A 50 -8.635 -3.741 5.457 1.00 0.00 O ATOM 0 H GLY A 50 -6.308 -4.054 7.314 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.080 -5.555 7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.948 -4.358 8.616 1.00 0.00 H new ATOM 767 N GLU A 51 -10.469 -4.234 6.563 1.00 0.00 N ATOM 768 CA GLU A 51 -11.322 -3.882 5.395 1.00 0.00 C ATOM 769 C GLU A 51 -12.123 -2.609 5.690 1.00 0.00 C ATOM 770 O GLU A 51 -12.715 -2.467 6.741 1.00 0.00 O ATOM 771 CB GLU A 51 -12.254 -5.079 5.213 1.00 0.00 C ATOM 772 CG GLU A 51 -13.009 -4.938 3.891 1.00 0.00 C ATOM 773 CD GLU A 51 -13.792 -6.222 3.611 1.00 0.00 C ATOM 774 OE1 GLU A 51 -13.594 -7.184 4.336 1.00 0.00 O ATOM 775 OE2 GLU A 51 -14.576 -6.223 2.676 1.00 0.00 O ATOM 0 H GLU A 51 -10.974 -4.552 7.390 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.737 -3.684 4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.680 -6.005 5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.959 -5.135 6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.689 -4.088 3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.309 -4.742 3.079 1.00 0.00 H new ATOM 782 N PHE A 52 -12.118 -1.673 4.781 1.00 0.00 N ATOM 783 CA PHE A 52 -12.850 -0.395 5.020 1.00 0.00 C ATOM 784 C PHE A 52 -13.561 0.055 3.743 1.00 0.00 C ATOM 785 O PHE A 52 -13.220 -0.354 2.653 1.00 0.00 O ATOM 786 CB PHE A 52 -11.769 0.611 5.417 1.00 0.00 C ATOM 787 CG PHE A 52 -10.632 0.552 4.424 1.00 0.00 C ATOM 788 CD1 PHE A 52 -10.838 0.946 3.093 1.00 0.00 C ATOM 789 CD2 PHE A 52 -9.370 0.104 4.835 1.00 0.00 C ATOM 790 CE1 PHE A 52 -9.779 0.891 2.175 1.00 0.00 C ATOM 791 CE2 PHE A 52 -8.312 0.049 3.917 1.00 0.00 C ATOM 792 CZ PHE A 52 -8.517 0.443 2.588 1.00 0.00 C ATOM 0 H PHE A 52 -11.639 -1.737 3.883 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.616 -0.495 5.789 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.188 1.617 5.446 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.402 0.389 6.419 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.811 1.291 2.776 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.212 -0.199 5.859 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.936 1.194 1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.339 -0.297 4.234 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.701 0.401 1.881 1.00 0.00 H new ATOM 802 N ARG A 53 -14.566 0.873 3.876 1.00 0.00 N ATOM 803 CA ARG A 53 -15.326 1.328 2.676 1.00 0.00 C ATOM 804 C ARG A 53 -14.699 2.603 2.111 1.00 0.00 C ATOM 805 O ARG A 53 -13.720 3.103 2.624 1.00 0.00 O ATOM 806 CB ARG A 53 -16.737 1.608 3.190 1.00 0.00 C ATOM 807 CG ARG A 53 -16.709 2.853 4.077 1.00 0.00 C ATOM 808 CD ARG A 53 -18.115 3.147 4.600 1.00 0.00 C ATOM 809 NE ARG A 53 -17.969 4.404 5.388 1.00 0.00 N ATOM 810 CZ ARG A 53 -17.367 4.385 6.548 1.00 0.00 C ATOM 811 NH1 ARG A 53 -16.898 3.264 7.029 1.00 0.00 N ATOM 812 NH2 ARG A 53 -17.234 5.490 7.228 1.00 0.00 N ATOM 0 H ARG A 53 -14.896 1.248 4.765 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.322 0.589 1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -17.419 1.758 2.353 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -17.108 0.753 3.754 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -16.025 2.701 4.912 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -16.336 3.706 3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -18.824 3.272 3.782 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -18.486 2.331 5.221 1.00 0.00 H new ATOM 0 HE ARG A 53 -18.340 5.281 5.021 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -17.001 2.399 6.499 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.429 3.254 7.935 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -17.599 6.366 6.854 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -16.765 5.478 8.134 1.00 0.00 H new ATOM 826 N GLN A 54 -15.270 3.149 1.075 1.00 0.00 N ATOM 827 CA GLN A 54 -14.717 4.410 0.504 1.00 0.00 C ATOM 828 C GLN A 54 -14.760 5.520 1.557 1.00 0.00 C ATOM 829 O GLN A 54 -15.738 5.683 2.261 1.00 0.00 O ATOM 830 CB GLN A 54 -15.642 4.748 -0.663 1.00 0.00 C ATOM 831 CG GLN A 54 -17.000 5.193 -0.116 1.00 0.00 C ATOM 832 CD GLN A 54 -18.029 5.206 -1.247 1.00 0.00 C ATOM 833 OE1 GLN A 54 -19.062 4.575 -1.151 1.00 0.00 O ATOM 834 NE2 GLN A 54 -17.787 5.899 -2.327 1.00 0.00 N ATOM 0 H GLN A 54 -16.093 2.779 0.599 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.679 4.306 0.187 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -15.205 5.539 -1.272 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -15.764 3.879 -1.309 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -17.324 4.517 0.676 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -16.918 6.186 0.326 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -16.920 6.429 -2.409 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -18.465 5.910 -3.089 1.00 0.00 H new ATOM 843 N GLY A 55 -13.713 6.289 1.670 1.00 0.00 N ATOM 844 CA GLY A 55 -13.706 7.388 2.675 1.00 0.00 C ATOM 845 C GLY A 55 -13.106 6.877 3.990 1.00 0.00 C ATOM 846 O GLY A 55 -13.757 6.886 5.016 1.00 0.00 O ATOM 0 H GLY A 55 -12.864 6.204 1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.126 8.232 2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.721 7.748 2.842 1.00 0.00 H new ATOM 850 N GLN A 56 -11.852 6.500 3.995 1.00 0.00 N ATOM 851 CA GLN A 56 -11.219 6.080 5.281 1.00 0.00 C ATOM 852 C GLN A 56 -9.905 6.817 5.482 1.00 0.00 C ATOM 853 O GLN A 56 -9.649 7.363 6.536 1.00 0.00 O ATOM 854 CB GLN A 56 -10.910 4.584 5.157 1.00 0.00 C ATOM 855 CG GLN A 56 -12.011 3.857 4.384 1.00 0.00 C ATOM 856 CD GLN A 56 -13.268 3.772 5.245 1.00 0.00 C ATOM 857 OE1 GLN A 56 -14.365 4.323 4.819 1.00 0.00 O flip ATOM 858 NE2 GLN A 56 -13.249 3.201 6.317 1.00 0.00 N flip ATOM 0 H GLN A 56 -11.246 6.465 3.175 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.883 6.297 6.118 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.955 4.448 4.650 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.809 4.147 6.150 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.228 4.386 3.456 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -11.677 2.856 4.110 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -12.387 2.769 6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -14.095 3.153 6.885 1.00 0.00 H new ATOM 867 N MET A 57 -8.968 6.560 4.613 1.00 0.00 N ATOM 868 CA MET A 57 -7.572 6.942 4.930 1.00 0.00 C ATOM 869 C MET A 57 -7.039 7.989 3.950 1.00 0.00 C ATOM 870 O MET A 57 -6.542 9.023 4.349 1.00 0.00 O ATOM 871 CB MET A 57 -6.777 5.643 4.810 1.00 0.00 C ATOM 872 CG MET A 57 -5.305 5.916 5.119 1.00 0.00 C ATOM 873 SD MET A 57 -5.169 6.697 6.745 1.00 0.00 S ATOM 874 CE MET A 57 -6.202 5.518 7.649 1.00 0.00 C ATOM 0 H MET A 57 -9.109 6.108 3.710 1.00 0.00 H new ATOM 0 HA MET A 57 -7.494 7.392 5.920 1.00 0.00 H new ATOM 0 HB2 MET A 57 -7.172 4.897 5.500 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.879 5.233 3.805 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.739 4.984 5.102 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.875 6.564 4.355 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.934 5.534 8.705 1.00 0.00 H new ATOM 0 HE2 MET A 57 -7.251 5.793 7.537 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.045 4.516 7.250 1.00 0.00 H new ATOM 884 N VAL A 58 -6.938 7.636 2.698 1.00 0.00 N ATOM 885 CA VAL A 58 -6.202 8.515 1.745 1.00 0.00 C ATOM 886 C VAL A 58 -6.764 8.360 0.323 1.00 0.00 C ATOM 887 O VAL A 58 -6.961 7.258 -0.148 1.00 0.00 O ATOM 888 CB VAL A 58 -4.760 8.009 1.820 1.00 0.00 C ATOM 889 CG1 VAL A 58 -4.710 6.559 1.342 1.00 0.00 C ATOM 890 CG2 VAL A 58 -3.854 8.864 0.938 1.00 0.00 C ATOM 0 H VAL A 58 -7.330 6.784 2.296 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.288 9.573 1.991 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.413 8.073 2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.684 6.194 1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.346 5.944 1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.064 6.503 0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.831 8.494 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.197 8.811 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.886 9.899 1.278 1.00 0.00 H new ATOM 900 N PRO A 59 -6.956 9.478 -0.328 1.00 0.00 N ATOM 901 CA PRO A 59 -7.445 9.475 -1.732 1.00 0.00 C ATOM 902 C PRO A 59 -6.532 8.618 -2.613 1.00 0.00 C ATOM 903 O PRO A 59 -6.986 7.729 -3.305 1.00 0.00 O ATOM 904 CB PRO A 59 -7.382 10.948 -2.154 1.00 0.00 C ATOM 905 CG PRO A 59 -6.603 11.649 -1.082 1.00 0.00 C ATOM 906 CD PRO A 59 -6.742 10.834 0.173 1.00 0.00 C ATOM 0 HA PRO A 59 -8.447 9.057 -1.829 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.896 11.056 -3.124 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -8.382 11.370 -2.250 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -5.555 11.742 -1.366 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.982 12.659 -0.929 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.849 10.897 0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.579 11.174 0.783 1.00 0.00 H new ATOM 914 N ALA A 60 -5.252 8.883 -2.587 1.00 0.00 N ATOM 915 CA ALA A 60 -4.294 8.089 -3.413 1.00 0.00 C ATOM 916 C ALA A 60 -4.698 6.611 -3.431 1.00 0.00 C ATOM 917 O ALA A 60 -4.541 5.927 -4.423 1.00 0.00 O ATOM 918 CB ALA A 60 -2.941 8.264 -2.720 1.00 0.00 C ATOM 0 H ALA A 60 -4.826 9.620 -2.025 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.272 8.422 -4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.178 7.709 -3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.677 9.321 -2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.003 7.886 -1.699 1.00 0.00 H new ATOM 924 N PHE A 61 -5.261 6.128 -2.356 1.00 0.00 N ATOM 925 CA PHE A 61 -5.727 4.711 -2.331 1.00 0.00 C ATOM 926 C PHE A 61 -6.780 4.470 -3.416 1.00 0.00 C ATOM 927 O PHE A 61 -6.797 3.437 -4.055 1.00 0.00 O ATOM 928 CB PHE A 61 -6.341 4.518 -0.945 1.00 0.00 C ATOM 929 CG PHE A 61 -6.860 3.105 -0.829 1.00 0.00 C ATOM 930 CD1 PHE A 61 -6.018 2.084 -0.369 1.00 0.00 C ATOM 931 CD2 PHE A 61 -8.183 2.813 -1.194 1.00 0.00 C ATOM 932 CE1 PHE A 61 -6.499 0.771 -0.269 1.00 0.00 C ATOM 933 CE2 PHE A 61 -8.663 1.500 -1.096 1.00 0.00 C ATOM 934 CZ PHE A 61 -7.821 0.479 -0.633 1.00 0.00 C ATOM 0 H PHE A 61 -5.418 6.652 -1.495 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.912 4.013 -2.521 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.596 4.710 -0.173 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.151 5.230 -0.790 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.999 2.308 -0.092 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.831 3.600 -1.550 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.851 -0.016 0.088 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.681 1.275 -1.377 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.191 -0.533 -0.557 1.00 0.00 H new ATOM 944 N ASP A 62 -7.680 5.396 -3.602 1.00 0.00 N ATOM 945 CA ASP A 62 -8.756 5.194 -4.615 1.00 0.00 C ATOM 946 C ASP A 62 -8.143 5.006 -6.002 1.00 0.00 C ATOM 947 O ASP A 62 -8.624 4.232 -6.806 1.00 0.00 O ATOM 948 CB ASP A 62 -9.595 6.473 -4.566 1.00 0.00 C ATOM 949 CG ASP A 62 -10.739 6.369 -5.575 1.00 0.00 C ATOM 950 OD1 ASP A 62 -10.660 5.517 -6.444 1.00 0.00 O ATOM 951 OD2 ASP A 62 -11.677 7.140 -5.459 1.00 0.00 O ATOM 0 H ASP A 62 -7.718 6.282 -3.098 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.356 4.308 -4.410 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.993 6.622 -3.562 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.972 7.338 -4.793 1.00 0.00 H new ATOM 956 N LYS A 63 -7.123 5.754 -6.310 1.00 0.00 N ATOM 957 CA LYS A 63 -6.523 5.671 -7.672 1.00 0.00 C ATOM 958 C LYS A 63 -6.023 4.250 -7.961 1.00 0.00 C ATOM 959 O LYS A 63 -6.086 3.780 -9.080 1.00 0.00 O ATOM 960 CB LYS A 63 -5.355 6.658 -7.637 1.00 0.00 C ATOM 961 CG LYS A 63 -5.903 8.080 -7.499 1.00 0.00 C ATOM 962 CD LYS A 63 -4.743 9.077 -7.464 1.00 0.00 C ATOM 963 CE LYS A 63 -5.297 10.496 -7.326 1.00 0.00 C ATOM 964 NZ LYS A 63 -4.180 11.288 -6.740 1.00 0.00 N ATOM 0 H LYS A 63 -6.677 6.420 -5.679 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.243 5.907 -8.456 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.693 6.428 -6.802 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.762 6.571 -8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.566 8.307 -8.334 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.496 8.165 -6.589 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.080 8.851 -6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.149 8.993 -8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.601 10.897 -8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.176 10.516 -6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.483 12.275 -6.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.917 10.887 -5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.360 11.256 -7.378 1.00 0.00 H new ATOM 978 N VAL A 64 -5.430 3.603 -6.991 1.00 0.00 N ATOM 979 CA VAL A 64 -4.816 2.261 -7.263 1.00 0.00 C ATOM 980 C VAL A 64 -5.860 1.140 -7.144 1.00 0.00 C ATOM 981 O VAL A 64 -5.961 0.294 -8.007 1.00 0.00 O ATOM 982 CB VAL A 64 -3.673 2.073 -6.234 1.00 0.00 C ATOM 983 CG1 VAL A 64 -3.044 3.428 -5.885 1.00 0.00 C ATOM 984 CG2 VAL A 64 -4.185 1.404 -4.947 1.00 0.00 C ATOM 0 H VAL A 64 -5.343 3.938 -6.031 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.429 2.213 -8.281 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.923 1.426 -6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.242 3.281 -5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.638 3.884 -6.788 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.804 4.082 -5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.359 1.286 -4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.958 2.026 -4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.601 0.425 -5.186 1.00 0.00 H new ATOM 994 N VAL A 65 -6.639 1.119 -6.096 1.00 0.00 N ATOM 995 CA VAL A 65 -7.664 0.040 -5.977 1.00 0.00 C ATOM 996 C VAL A 65 -8.543 0.027 -7.232 1.00 0.00 C ATOM 997 O VAL A 65 -9.023 -1.006 -7.656 1.00 0.00 O ATOM 998 CB VAL A 65 -8.484 0.364 -4.724 1.00 0.00 C ATOM 999 CG1 VAL A 65 -9.092 1.761 -4.840 1.00 0.00 C ATOM 1000 CG2 VAL A 65 -9.606 -0.666 -4.574 1.00 0.00 C ATOM 0 H VAL A 65 -6.613 1.790 -5.328 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.213 -0.949 -5.891 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.831 0.331 -3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.673 1.981 -3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.295 2.497 -4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.743 1.803 -5.713 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.192 -0.439 -3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.252 -0.631 -5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.175 -1.663 -4.480 1.00 0.00 H new ATOM 1010 N PHE A 66 -8.663 1.150 -7.889 1.00 0.00 N ATOM 1011 CA PHE A 66 -9.396 1.184 -9.187 1.00 0.00 C ATOM 1012 C PHE A 66 -8.401 1.073 -10.347 1.00 0.00 C ATOM 1013 O PHE A 66 -8.722 1.343 -11.486 1.00 0.00 O ATOM 1014 CB PHE A 66 -10.095 2.546 -9.211 1.00 0.00 C ATOM 1015 CG PHE A 66 -11.482 2.418 -8.631 1.00 0.00 C ATOM 1016 CD1 PHE A 66 -12.505 1.823 -9.383 1.00 0.00 C ATOM 1017 CD2 PHE A 66 -11.750 2.900 -7.341 1.00 0.00 C ATOM 1018 CE1 PHE A 66 -13.796 1.710 -8.846 1.00 0.00 C ATOM 1019 CE2 PHE A 66 -13.040 2.787 -6.805 1.00 0.00 C ATOM 1020 CZ PHE A 66 -14.063 2.192 -7.556 1.00 0.00 C ATOM 0 H PHE A 66 -8.284 2.046 -7.582 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.104 0.362 -9.288 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.517 3.272 -8.639 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.151 2.918 -10.234 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -12.299 1.452 -10.376 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.962 3.358 -6.761 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -14.584 1.252 -9.425 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -13.246 3.159 -5.812 1.00 0.00 H new ATOM 0 HZ PHE A 66 -15.057 2.105 -7.142 1.00 0.00 H new ATOM 1030 N SER A 67 -7.179 0.724 -10.049 1.00 0.00 N ATOM 1031 CA SER A 67 -6.134 0.647 -11.110 1.00 0.00 C ATOM 1032 C SER A 67 -5.897 -0.808 -11.529 1.00 0.00 C ATOM 1033 O SER A 67 -5.663 -1.098 -12.685 1.00 0.00 O ATOM 1034 CB SER A 67 -4.873 1.226 -10.466 1.00 0.00 C ATOM 1035 OG SER A 67 -3.799 1.165 -11.391 1.00 0.00 O ATOM 0 H SER A 67 -6.858 0.487 -9.110 1.00 0.00 H new ATOM 0 HA SER A 67 -6.425 1.190 -12.009 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.048 2.258 -10.163 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.623 0.667 -9.564 1.00 0.00 H new ATOM 0 HG SER A 67 -3.413 0.264 -11.385 1.00 0.00 H new ATOM 1041 N CYS A 68 -5.870 -1.713 -10.586 1.00 0.00 N ATOM 1042 CA CYS A 68 -5.547 -3.132 -10.930 1.00 0.00 C ATOM 1043 C CYS A 68 -6.637 -4.077 -10.413 1.00 0.00 C ATOM 1044 O CYS A 68 -7.296 -3.790 -9.432 1.00 0.00 O ATOM 1045 CB CYS A 68 -4.221 -3.415 -10.225 1.00 0.00 C ATOM 1046 SG CYS A 68 -2.990 -2.189 -10.733 1.00 0.00 S ATOM 0 H CYS A 68 -6.056 -1.534 -9.599 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.485 -3.286 -12.007 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.358 -3.382 -9.144 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.873 -4.418 -10.471 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.887 -2.793 -11.062 1.00 0.00 H new ATOM 1052 N PRO A 69 -6.753 -5.202 -11.069 1.00 0.00 N ATOM 1053 CA PRO A 69 -7.729 -6.237 -10.649 1.00 0.00 C ATOM 1054 C PRO A 69 -7.316 -6.851 -9.306 1.00 0.00 C ATOM 1055 O PRO A 69 -7.042 -8.029 -9.231 1.00 0.00 O ATOM 1056 CB PRO A 69 -7.667 -7.293 -11.757 1.00 0.00 C ATOM 1057 CG PRO A 69 -6.848 -6.690 -12.859 1.00 0.00 C ATOM 1058 CD PRO A 69 -5.999 -5.606 -12.254 1.00 0.00 C ATOM 0 HA PRO A 69 -8.731 -5.831 -10.514 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -7.212 -8.214 -11.393 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.667 -7.548 -12.109 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.222 -7.448 -13.330 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -7.494 -6.282 -13.636 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.007 -5.973 -11.992 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.859 -4.774 -12.944 1.00 0.00 H new ATOM 1066 N VAL A 70 -7.365 -6.060 -8.254 1.00 0.00 N ATOM 1067 CA VAL A 70 -7.076 -6.532 -6.859 1.00 0.00 C ATOM 1068 C VAL A 70 -6.100 -7.741 -6.847 1.00 0.00 C ATOM 1069 O VAL A 70 -5.357 -7.942 -7.784 1.00 0.00 O ATOM 1070 CB VAL A 70 -8.492 -6.843 -6.308 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -9.159 -7.965 -7.106 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -8.446 -7.220 -4.829 1.00 0.00 C ATOM 0 H VAL A 70 -7.603 -5.070 -8.311 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.553 -5.804 -6.238 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.083 -5.934 -6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.150 -8.162 -6.698 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.249 -7.665 -8.150 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.553 -8.869 -7.040 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.455 -7.431 -4.476 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.823 -8.105 -4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.027 -6.393 -4.256 1.00 0.00 H new ATOM 1082 N LEU A 71 -5.914 -8.387 -5.713 1.00 0.00 N ATOM 1083 CA LEU A 71 -4.807 -9.389 -5.580 1.00 0.00 C ATOM 1084 C LEU A 71 -3.545 -8.918 -6.310 1.00 0.00 C ATOM 1085 O LEU A 71 -2.775 -9.711 -6.814 1.00 0.00 O ATOM 1086 CB LEU A 71 -5.347 -10.666 -6.224 1.00 0.00 C ATOM 1087 CG LEU A 71 -6.653 -11.072 -5.539 1.00 0.00 C ATOM 1088 CD1 LEU A 71 -7.832 -10.398 -6.247 1.00 0.00 C ATOM 1089 CD2 LEU A 71 -6.820 -12.591 -5.616 1.00 0.00 C ATOM 0 H LEU A 71 -6.483 -8.261 -4.876 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.524 -9.537 -4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.517 -10.505 -7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.614 -11.468 -6.136 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.626 -10.760 -4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.763 -10.687 -5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.716 -9.315 -6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.857 -10.711 -7.291 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.751 -12.880 -5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.846 -12.902 -6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.982 -13.075 -5.115 1.00 0.00 H new ATOM 1101 N GLU A 72 -3.338 -7.633 -6.388 1.00 0.00 N ATOM 1102 CA GLU A 72 -2.140 -7.114 -7.106 1.00 0.00 C ATOM 1103 C GLU A 72 -1.652 -5.819 -6.454 1.00 0.00 C ATOM 1104 O GLU A 72 -2.131 -4.748 -6.769 1.00 0.00 O ATOM 1105 CB GLU A 72 -2.617 -6.848 -8.534 1.00 0.00 C ATOM 1106 CG GLU A 72 -1.411 -6.531 -9.422 1.00 0.00 C ATOM 1107 CD GLU A 72 -1.407 -5.039 -9.762 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -2.084 -4.293 -9.075 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -0.726 -4.669 -10.704 1.00 0.00 O ATOM 0 H GLU A 72 -3.946 -6.920 -5.986 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.307 -7.817 -7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.148 -7.718 -8.920 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.320 -6.015 -8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.488 -6.801 -8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.453 -7.123 -10.336 1.00 0.00 H new ATOM 1116 N PRO A 73 -0.710 -5.961 -5.563 1.00 0.00 N ATOM 1117 CA PRO A 73 -0.152 -4.782 -4.863 1.00 0.00 C ATOM 1118 C PRO A 73 0.199 -3.690 -5.875 1.00 0.00 C ATOM 1119 O PRO A 73 1.121 -3.823 -6.654 1.00 0.00 O ATOM 1120 CB PRO A 73 1.101 -5.326 -4.181 1.00 0.00 C ATOM 1121 CG PRO A 73 0.858 -6.796 -4.032 1.00 0.00 C ATOM 1122 CD PRO A 73 -0.079 -7.215 -5.135 1.00 0.00 C ATOM 0 HA PRO A 73 -0.846 -4.330 -4.154 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.991 -5.132 -4.780 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.259 -4.853 -3.212 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.796 -7.348 -4.096 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.424 -7.016 -3.056 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.458 -7.691 -5.955 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.818 -7.932 -4.779 1.00 0.00 H new ATOM 1130 N THR A 74 -0.567 -2.634 -5.907 1.00 0.00 N ATOM 1131 CA THR A 74 -0.318 -1.562 -6.912 1.00 0.00 C ATOM 1132 C THR A 74 0.518 -0.439 -6.297 1.00 0.00 C ATOM 1133 O THR A 74 0.229 0.044 -5.219 1.00 0.00 O ATOM 1134 CB THR A 74 -1.706 -1.048 -7.295 1.00 0.00 C ATOM 1135 OG1 THR A 74 -2.462 -2.107 -7.865 1.00 0.00 O ATOM 1136 CG2 THR A 74 -1.568 0.088 -8.310 1.00 0.00 C ATOM 0 H THR A 74 -1.355 -2.467 -5.281 1.00 0.00 H new ATOM 0 HA THR A 74 0.235 -1.930 -7.776 1.00 0.00 H new ATOM 0 HB THR A 74 -2.215 -0.678 -6.405 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.243 -2.190 -8.817 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.558 0.454 -8.583 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.989 0.900 -7.871 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.059 -0.280 -9.201 1.00 0.00 H new ATOM 1144 N GLY A 75 1.549 -0.018 -6.974 1.00 0.00 N ATOM 1145 CA GLY A 75 2.398 1.075 -6.428 1.00 0.00 C ATOM 1146 C GLY A 75 3.871 0.776 -6.731 1.00 0.00 C ATOM 1147 O GLY A 75 4.168 -0.030 -7.590 1.00 0.00 O ATOM 0 H GLY A 75 1.840 -0.383 -7.881 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.111 2.029 -6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.248 1.164 -5.352 1.00 0.00 H new ATOM 1151 N PRO A 76 4.755 1.451 -6.033 1.00 0.00 N ATOM 1152 CA PRO A 76 4.349 2.433 -4.988 1.00 0.00 C ATOM 1153 C PRO A 76 3.737 3.686 -5.631 1.00 0.00 C ATOM 1154 O PRO A 76 4.150 4.116 -6.690 1.00 0.00 O ATOM 1155 CB PRO A 76 5.659 2.763 -4.280 1.00 0.00 C ATOM 1156 CG PRO A 76 6.727 2.472 -5.285 1.00 0.00 C ATOM 1157 CD PRO A 76 6.214 1.358 -6.158 1.00 0.00 C ATOM 0 HA PRO A 76 3.590 2.046 -4.309 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.686 3.807 -3.967 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.786 2.157 -3.383 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.949 3.358 -5.880 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.653 2.180 -4.790 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.535 1.482 -7.192 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.582 0.388 -5.824 1.00 0.00 H new ATOM 1165 N LEU A 77 2.719 4.236 -5.025 1.00 0.00 N ATOM 1166 CA LEU A 77 2.032 5.419 -5.627 1.00 0.00 C ATOM 1167 C LEU A 77 2.556 6.720 -5.012 1.00 0.00 C ATOM 1168 O LEU A 77 3.030 6.743 -3.897 1.00 0.00 O ATOM 1169 CB LEU A 77 0.553 5.231 -5.289 1.00 0.00 C ATOM 1170 CG LEU A 77 -0.244 6.422 -5.825 1.00 0.00 C ATOM 1171 CD1 LEU A 77 -0.279 6.368 -7.353 1.00 0.00 C ATOM 1172 CD2 LEU A 77 -1.672 6.368 -5.278 1.00 0.00 C ATOM 0 H LEU A 77 2.332 3.917 -4.137 1.00 0.00 H new ATOM 0 HA LEU A 77 2.205 5.487 -6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.183 4.304 -5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.423 5.147 -4.210 1.00 0.00 H new ATOM 0 HG LEU A 77 0.232 7.350 -5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.847 7.217 -7.734 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.738 6.408 -7.742 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.754 5.441 -7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.240 7.216 -5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.148 5.440 -5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.646 6.409 -4.189 1.00 0.00 H new ATOM 1184 N HIS A 78 2.438 7.811 -5.718 1.00 0.00 N ATOM 1185 CA HIS A 78 2.892 9.116 -5.156 1.00 0.00 C ATOM 1186 C HIS A 78 1.890 9.625 -4.114 1.00 0.00 C ATOM 1187 O HIS A 78 0.712 9.757 -4.383 1.00 0.00 O ATOM 1188 CB HIS A 78 2.943 10.065 -6.353 1.00 0.00 C ATOM 1189 CG HIS A 78 3.460 11.406 -5.909 1.00 0.00 C ATOM 1190 ND1 HIS A 78 3.015 12.292 -4.960 1.00 0.00 N flip ATOM 1191 CD2 HIS A 78 4.588 11.985 -6.469 1.00 0.00 C flip ATOM 1192 CE1 HIS A 78 3.851 13.404 -4.928 1.00 0.00 C flip ATOM 1193 NE2 HIS A 78 4.781 13.168 -5.856 1.00 0.00 N flip ATOM 0 H HIS A 78 2.047 7.856 -6.659 1.00 0.00 H new ATOM 0 HA HIS A 78 3.857 9.034 -4.655 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.588 9.654 -7.129 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.949 10.172 -6.788 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.200 11.564 -7.253 1.00 0.00 H new ATOM 0 HE1 HIS A 78 3.766 14.271 -4.290 1.00 0.00 H new ATOM 0 HE2 HIS A 78 5.546 13.807 -6.074 1.00 0.00 H new ATOM 1201 N THR A 79 2.355 9.944 -2.937 1.00 0.00 N ATOM 1202 CA THR A 79 1.440 10.485 -1.891 1.00 0.00 C ATOM 1203 C THR A 79 2.138 11.594 -1.098 1.00 0.00 C ATOM 1204 O THR A 79 3.347 11.716 -1.114 1.00 0.00 O ATOM 1205 CB THR A 79 1.111 9.293 -0.985 1.00 0.00 C ATOM 1206 OG1 THR A 79 0.122 9.679 -0.041 1.00 0.00 O ATOM 1207 CG2 THR A 79 2.371 8.834 -0.247 1.00 0.00 C ATOM 0 H THR A 79 3.331 9.853 -2.654 1.00 0.00 H new ATOM 0 HA THR A 79 0.539 10.924 -2.320 1.00 0.00 H new ATOM 0 HB THR A 79 0.736 8.471 -1.595 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.213 9.135 0.769 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.129 7.987 0.395 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.129 8.535 -0.972 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.754 9.653 0.362 1.00 0.00 H new ATOM 1215 N GLN A 80 1.384 12.428 -0.438 1.00 0.00 N ATOM 1216 CA GLN A 80 2.000 13.562 0.314 1.00 0.00 C ATOM 1217 C GLN A 80 2.969 13.037 1.379 1.00 0.00 C ATOM 1218 O GLN A 80 3.863 13.736 1.812 1.00 0.00 O ATOM 1219 CB GLN A 80 0.826 14.290 0.972 1.00 0.00 C ATOM 1220 CG GLN A 80 0.001 14.999 -0.104 1.00 0.00 C ATOM 1221 CD GLN A 80 -1.261 15.593 0.528 1.00 0.00 C ATOM 1222 OE1 GLN A 80 -1.773 15.070 1.497 1.00 0.00 O ATOM 1223 NE2 GLN A 80 -1.785 16.673 0.016 1.00 0.00 N ATOM 0 H GLN A 80 0.367 12.375 -0.385 1.00 0.00 H new ATOM 0 HA GLN A 80 2.575 14.219 -0.339 1.00 0.00 H new ATOM 0 HB2 GLN A 80 0.202 13.580 1.516 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.194 15.013 1.700 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.592 15.787 -0.570 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -0.270 14.296 -0.891 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.355 17.112 -0.798 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -2.625 17.078 0.430 1.00 0.00 H new ATOM 1232 N PHE A 81 2.755 11.842 1.857 1.00 0.00 N ATOM 1233 CA PHE A 81 3.618 11.316 2.954 1.00 0.00 C ATOM 1234 C PHE A 81 4.734 10.430 2.389 1.00 0.00 C ATOM 1235 O PHE A 81 5.330 9.644 3.098 1.00 0.00 O ATOM 1236 CB PHE A 81 2.677 10.493 3.833 1.00 0.00 C ATOM 1237 CG PHE A 81 1.674 11.408 4.491 1.00 0.00 C ATOM 1238 CD1 PHE A 81 1.992 12.044 5.700 1.00 0.00 C ATOM 1239 CD2 PHE A 81 0.421 11.621 3.896 1.00 0.00 C ATOM 1240 CE1 PHE A 81 1.060 12.892 6.312 1.00 0.00 C ATOM 1241 CE2 PHE A 81 -0.511 12.469 4.509 1.00 0.00 C ATOM 1242 CZ PHE A 81 -0.192 13.105 5.718 1.00 0.00 C ATOM 0 H PHE A 81 2.023 11.208 1.537 1.00 0.00 H new ATOM 0 HA PHE A 81 4.107 12.117 3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.162 9.744 3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.247 9.956 4.591 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.956 11.880 6.159 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.175 11.131 2.965 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.306 13.382 7.242 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.475 12.633 4.051 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.910 13.758 6.191 1.00 0.00 H new ATOM 1252 N GLY A 82 5.005 10.530 1.117 1.00 0.00 N ATOM 1253 CA GLY A 82 6.064 9.672 0.514 1.00 0.00 C ATOM 1254 C GLY A 82 5.450 8.827 -0.603 1.00 0.00 C ATOM 1255 O GLY A 82 4.749 9.329 -1.456 1.00 0.00 O ATOM 0 H GLY A 82 4.540 11.167 0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.869 10.291 0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.503 9.027 1.275 1.00 0.00 H new ATOM 1259 N TYR A 83 5.683 7.544 -0.591 1.00 0.00 N ATOM 1260 CA TYR A 83 5.081 6.675 -1.641 1.00 0.00 C ATOM 1261 C TYR A 83 4.218 5.586 -0.992 1.00 0.00 C ATOM 1262 O TYR A 83 4.668 4.860 -0.131 1.00 0.00 O ATOM 1263 CB TYR A 83 6.274 6.051 -2.366 1.00 0.00 C ATOM 1264 CG TYR A 83 7.171 7.139 -2.905 1.00 0.00 C ATOM 1265 CD1 TYR A 83 6.892 7.731 -4.145 1.00 0.00 C ATOM 1266 CD2 TYR A 83 8.287 7.555 -2.166 1.00 0.00 C ATOM 1267 CE1 TYR A 83 7.730 8.739 -4.646 1.00 0.00 C ATOM 1268 CE2 TYR A 83 9.125 8.562 -2.665 1.00 0.00 C ATOM 1269 CZ TYR A 83 8.846 9.154 -3.905 1.00 0.00 C ATOM 1270 OH TYR A 83 9.672 10.144 -4.398 1.00 0.00 O ATOM 0 H TYR A 83 6.261 7.061 0.097 1.00 0.00 H new ATOM 0 HA TYR A 83 4.435 7.231 -2.321 1.00 0.00 H new ATOM 0 HB2 TYR A 83 6.833 5.412 -1.683 1.00 0.00 H new ATOM 0 HB3 TYR A 83 5.925 5.418 -3.181 1.00 0.00 H new ATOM 0 HD1 TYR A 83 6.032 7.411 -4.715 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.502 7.099 -1.211 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.516 9.195 -5.601 1.00 0.00 H new ATOM 0 HE2 TYR A 83 9.985 8.882 -2.095 1.00 0.00 H new ATOM 0 HH TYR A 83 10.397 10.313 -3.761 1.00 0.00 H new ATOM 1280 N HIS A 84 3.005 5.424 -1.447 1.00 0.00 N ATOM 1281 CA HIS A 84 2.144 4.325 -0.905 1.00 0.00 C ATOM 1282 C HIS A 84 2.112 3.139 -1.867 1.00 0.00 C ATOM 1283 O HIS A 84 1.573 3.234 -2.952 1.00 0.00 O ATOM 1284 CB HIS A 84 0.732 4.909 -0.771 1.00 0.00 C ATOM 1285 CG HIS A 84 0.658 5.818 0.424 1.00 0.00 C ATOM 1286 ND1 HIS A 84 1.400 5.883 1.577 1.00 0.00 N flip ATOM 1287 CD2 HIS A 84 -0.295 6.818 0.530 1.00 0.00 C flip ATOM 1288 CE1 HIS A 84 0.915 6.905 2.388 1.00 0.00 C flip ATOM 1289 NE2 HIS A 84 -0.106 7.436 1.710 1.00 0.00 N flip ATOM 0 H HIS A 84 2.571 6.001 -2.168 1.00 0.00 H new ATOM 0 HA HIS A 84 2.531 3.968 0.049 1.00 0.00 H new ATOM 0 HB2 HIS A 84 0.472 5.461 -1.674 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.005 4.103 -0.670 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -1.052 7.058 -0.202 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.285 7.204 3.358 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.673 8.215 2.046 1.00 0.00 H new ATOM 1297 N ILE A 85 2.445 1.973 -1.389 1.00 0.00 N ATOM 1298 CA ILE A 85 2.154 0.752 -2.193 1.00 0.00 C ATOM 1299 C ILE A 85 1.025 -0.034 -1.519 1.00 0.00 C ATOM 1300 O ILE A 85 0.970 -0.129 -0.307 1.00 0.00 O ATOM 1301 CB ILE A 85 3.460 -0.046 -2.222 1.00 0.00 C ATOM 1302 CG1 ILE A 85 3.405 -1.063 -3.363 1.00 0.00 C ATOM 1303 CG2 ILE A 85 3.650 -0.783 -0.897 1.00 0.00 C ATOM 1304 CD1 ILE A 85 4.802 -1.230 -3.960 1.00 0.00 C ATOM 0 H ILE A 85 2.899 1.812 -0.490 1.00 0.00 H new ATOM 0 HA ILE A 85 1.825 0.979 -3.207 1.00 0.00 H new ATOM 0 HB ILE A 85 4.295 0.638 -2.375 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.038 -2.021 -2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.707 -0.728 -4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.581 -1.348 -0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.689 -0.061 -0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.816 -1.466 -0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.766 -1.954 -4.774 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.151 -0.271 -4.343 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.487 -1.584 -3.189 1.00 0.00 H new ATOM 1316 N ILE A 86 0.012 -0.373 -2.266 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.238 -0.883 -1.632 1.00 0.00 C ATOM 1318 C ILE A 86 -1.514 -2.335 -2.036 1.00 0.00 C ATOM 1319 O ILE A 86 -1.771 -2.627 -3.186 1.00 0.00 O ATOM 1320 CB ILE A 86 -2.332 0.037 -2.176 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -2.102 1.458 -1.653 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -3.708 -0.465 -1.731 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -3.033 2.428 -2.383 1.00 0.00 C ATOM 0 H ILE A 86 -0.006 -0.320 -3.284 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.178 -0.879 -0.544 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.295 0.039 -3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.289 1.496 -0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.063 1.750 -1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.481 0.196 -2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.867 -1.474 -2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.757 -0.475 -0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.869 3.439 -2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.825 2.397 -3.452 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.069 2.140 -2.207 1.00 0.00 H new ATOM 1335 N LYS A 87 -1.643 -3.207 -1.070 1.00 0.00 N ATOM 1336 CA LYS A 87 -2.114 -4.586 -1.377 1.00 0.00 C ATOM 1337 C LYS A 87 -3.642 -4.590 -1.434 1.00 0.00 C ATOM 1338 O LYS A 87 -4.299 -4.086 -0.543 1.00 0.00 O ATOM 1339 CB LYS A 87 -1.637 -5.449 -0.209 1.00 0.00 C ATOM 1340 CG LYS A 87 -0.198 -5.085 0.155 1.00 0.00 C ATOM 1341 CD LYS A 87 0.306 -6.038 1.241 1.00 0.00 C ATOM 1342 CE LYS A 87 1.249 -5.284 2.184 1.00 0.00 C ATOM 1343 NZ LYS A 87 1.542 -6.244 3.287 1.00 0.00 N ATOM 0 H LYS A 87 -1.443 -3.023 -0.087 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.735 -4.953 -2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.288 -5.301 0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.698 -6.504 -0.477 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.440 -5.150 -0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.150 -4.055 0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.535 -6.446 1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.826 -6.881 0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.162 -4.982 1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.783 -4.376 2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.471 -6.025 3.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.810 -6.164 4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.550 -7.213 2.911 1.00 0.00 H new ATOM 1357 N VAL A 88 -4.216 -5.135 -2.470 1.00 0.00 N ATOM 1358 CA VAL A 88 -5.703 -5.141 -2.573 1.00 0.00 C ATOM 1359 C VAL A 88 -6.235 -6.563 -2.377 1.00 0.00 C ATOM 1360 O VAL A 88 -5.763 -7.503 -2.986 1.00 0.00 O ATOM 1361 CB VAL A 88 -6.004 -4.639 -3.985 1.00 0.00 C ATOM 1362 CG1 VAL A 88 -7.514 -4.455 -4.153 1.00 0.00 C ATOM 1363 CG2 VAL A 88 -5.298 -3.300 -4.212 1.00 0.00 C ATOM 0 H VAL A 88 -3.723 -5.575 -3.247 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.176 -4.518 -1.814 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.645 -5.367 -4.712 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.727 -4.097 -5.160 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.017 -5.409 -3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.875 -3.728 -3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.512 -2.942 -5.219 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.656 -2.572 -3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.222 -3.431 -4.095 1.00 0.00 H new ATOM 1373 N LEU A 89 -7.193 -6.731 -1.508 1.00 0.00 N ATOM 1374 CA LEU A 89 -7.732 -8.088 -1.242 1.00 0.00 C ATOM 1375 C LEU A 89 -9.271 -8.046 -1.231 1.00 0.00 C ATOM 1376 O LEU A 89 -9.869 -7.416 -0.384 1.00 0.00 O ATOM 1377 CB LEU A 89 -7.210 -8.457 0.143 1.00 0.00 C ATOM 1378 CG LEU A 89 -5.679 -8.450 0.136 1.00 0.00 C ATOM 1379 CD1 LEU A 89 -5.162 -8.748 1.545 1.00 0.00 C ATOM 1380 CD2 LEU A 89 -5.168 -9.522 -0.829 1.00 0.00 C ATOM 0 H LEU A 89 -7.626 -5.981 -0.969 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.429 -8.809 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.583 -7.749 0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.578 -9.442 0.430 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.322 -7.471 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.072 -8.743 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.526 -7.986 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.519 -9.727 1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.078 -9.517 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.525 -10.501 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.536 -9.313 -1.833 1.00 0.00 H new ATOM 1392 N TYR A 90 -9.904 -8.744 -2.137 1.00 0.00 N ATOM 1393 CA TYR A 90 -11.402 -8.819 -2.171 1.00 0.00 C ATOM 1394 C TYR A 90 -12.023 -7.488 -2.613 1.00 0.00 C ATOM 1395 O TYR A 90 -13.215 -7.408 -2.830 1.00 0.00 O ATOM 1396 CB TYR A 90 -11.841 -9.186 -0.750 1.00 0.00 C ATOM 1397 CG TYR A 90 -11.067 -10.397 -0.288 1.00 0.00 C ATOM 1398 CD1 TYR A 90 -11.468 -11.679 -0.692 1.00 0.00 C ATOM 1399 CD2 TYR A 90 -9.949 -10.243 0.545 1.00 0.00 C ATOM 1400 CE1 TYR A 90 -10.751 -12.805 -0.266 1.00 0.00 C ATOM 1401 CE2 TYR A 90 -9.232 -11.370 0.970 1.00 0.00 C ATOM 1402 CZ TYR A 90 -9.632 -12.651 0.565 1.00 0.00 C ATOM 1403 OH TYR A 90 -8.927 -13.761 0.983 1.00 0.00 O ATOM 0 H TYR A 90 -9.439 -9.278 -2.872 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.738 -9.561 -2.895 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -11.666 -8.348 -0.075 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -12.911 -9.394 -0.729 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -12.330 -11.798 -1.332 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.641 -9.257 0.859 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.060 -13.792 -0.578 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -8.370 -11.251 1.610 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.180 -13.479 1.552 1.00 0.00 H new ATOM 1413 N ARG A 91 -11.219 -6.482 -2.855 1.00 0.00 N ATOM 1414 CA ARG A 91 -11.752 -5.202 -3.416 1.00 0.00 C ATOM 1415 C ARG A 91 -13.098 -4.850 -2.756 1.00 0.00 C ATOM 1416 O ARG A 91 -13.443 -5.384 -1.721 1.00 0.00 O ATOM 1417 CB ARG A 91 -11.897 -5.457 -4.926 1.00 0.00 C ATOM 1418 CG ARG A 91 -13.168 -6.261 -5.212 1.00 0.00 C ATOM 1419 CD ARG A 91 -13.445 -6.254 -6.717 1.00 0.00 C ATOM 1420 NE ARG A 91 -14.467 -7.320 -6.920 1.00 0.00 N ATOM 1421 CZ ARG A 91 -15.109 -7.410 -8.053 1.00 0.00 C ATOM 1422 NH1 ARG A 91 -14.874 -6.556 -9.012 1.00 0.00 N ATOM 1423 NH2 ARG A 91 -15.991 -8.355 -8.228 1.00 0.00 N ATOM 0 H ARG A 91 -10.213 -6.493 -2.687 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.096 -4.352 -3.225 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.932 -4.507 -5.460 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.026 -5.998 -5.295 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -13.052 -7.285 -4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -14.013 -5.831 -4.673 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.815 -5.283 -7.047 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.539 -6.460 -7.287 1.00 0.00 H new ATOM 0 HE ARG A 91 -14.666 -7.982 -6.170 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.186 -5.815 -8.878 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.378 -6.630 -9.896 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -16.178 -9.023 -7.480 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -16.493 -8.426 -9.113 1.00 0.00 H new ATOM 1437 N ASN A 92 -13.865 -3.967 -3.342 1.00 0.00 N ATOM 1438 CA ASN A 92 -15.183 -3.615 -2.742 1.00 0.00 C ATOM 1439 C ASN A 92 -16.202 -4.721 -3.023 1.00 0.00 C ATOM 1440 O ASN A 92 -16.242 -5.192 -4.148 1.00 0.00 O ATOM 1441 CB ASN A 92 -15.597 -2.313 -3.428 1.00 0.00 C ATOM 1442 CG ASN A 92 -14.764 -1.156 -2.875 1.00 0.00 C ATOM 1443 OD1 ASN A 92 -14.298 -1.209 -1.754 1.00 0.00 O ATOM 1444 ND2 ASN A 92 -14.556 -0.104 -3.618 1.00 0.00 N ATOM 1445 OXT ASN A 92 -16.926 -5.081 -2.108 1.00 0.00 O ATOM 0 H ASN A 92 -13.635 -3.477 -4.207 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.128 -3.503 -1.659 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.453 -2.396 -4.505 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.657 -2.123 -3.262 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -14.002 0.673 -3.258 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.947 -0.059 -4.559 1.00 0.00 H new TER 1452 ASN A 92