USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 630 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 6 LYS NZ :NH3+ 154:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 HIS : no HD1:sc= -3.64! X(o=-3.6!,f=-3.3) USER MOD Set 2.1: A 22 THR OG1 : rot -57:sc= 1.1 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.23 K(o=2.3,f=-4.3!) USER MOD Set 3.1: A 7 THR OG1 : rot -73:sc= 0.197 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -135:sc= -1.31 (180deg=-4.04!) USER MOD Single : A 1 MET N :NH3+ 141:sc= 1.23 (180deg=0.699) USER MOD Single : A 2 GLN : amide:sc= -0.334 K(o=-0.33,f=-2.7!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -87:sc= 1.22 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 0.636 (180deg=0.612) USER MOD Single : A 29 LYS NZ :NH3+ -143:sc= -0.333 (180deg=-1.39!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 41 GLN : amide:sc= -5.19! C(o=-5.2!,f=-8.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.293 K(o=-0.29,f=-4.3!) USER MOD Single : A 55 THR OG1 : rot -76:sc= -0.129 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.0618 USER MOD Single : A 60 ASN : amide:sc= -3.97! C(o=-4!,f=-2.4!) USER MOD Single : A 62 GLN : amide:sc= -0.131 K(o=-0.13,f=-0.85) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 80:sc= -0.905 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.953 -20.175 -1.491 1.00 0.00 N ATOM 2 CA MET A 1 3.783 -19.751 -2.650 1.00 0.00 C ATOM 3 C MET A 1 4.512 -18.445 -2.357 1.00 0.00 C ATOM 4 O MET A 1 4.274 -17.806 -1.332 1.00 0.00 O ATOM 5 CB MET A 1 2.872 -19.587 -3.868 1.00 0.00 C ATOM 6 CG MET A 1 1.941 -18.389 -3.775 1.00 0.00 C ATOM 7 SD MET A 1 0.511 -18.536 -4.864 1.00 0.00 S ATOM 8 CE MET A 1 -0.380 -17.038 -4.455 1.00 0.00 C ATOM 0 H1 MET A 1 2.055 -20.572 -1.834 1.00 0.00 H new ATOM 0 H2 MET A 1 3.464 -20.896 -0.943 1.00 0.00 H new ATOM 0 H3 MET A 1 2.758 -19.353 -0.884 1.00 0.00 H new ATOM 0 HA MET A 1 4.539 -20.511 -2.846 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.488 -19.489 -4.762 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.276 -20.491 -3.990 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.599 -18.278 -2.746 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.493 -17.484 -4.027 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.438 -17.267 -4.330 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.014 -16.622 -3.528 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.259 -16.312 -5.259 1.00 0.00 H new ATOM 20 N GLN A 2 5.404 -18.055 -3.262 1.00 0.00 N ATOM 21 CA GLN A 2 6.169 -16.826 -3.099 1.00 0.00 C ATOM 22 C GLN A 2 5.562 -15.689 -3.916 1.00 0.00 C ATOM 23 O GLN A 2 5.077 -15.900 -5.027 1.00 0.00 O ATOM 24 CB GLN A 2 7.624 -17.047 -3.518 1.00 0.00 C ATOM 25 CG GLN A 2 8.625 -16.772 -2.410 1.00 0.00 C ATOM 26 CD GLN A 2 9.215 -18.040 -1.827 1.00 0.00 C ATOM 27 OE1 GLN A 2 8.843 -19.148 -2.216 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.141 -17.886 -0.887 1.00 0.00 N ATOM 0 H GLN A 2 5.614 -18.573 -4.115 1.00 0.00 H new ATOM 0 HA GLN A 2 6.137 -16.548 -2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.743 -18.076 -3.857 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.850 -16.403 -4.368 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.429 -16.148 -2.799 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.137 -16.205 -1.617 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.420 -16.950 -0.594 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.573 -18.704 -0.458 1.00 0.00 H new ATOM 37 N LEU A 3 5.595 -14.485 -3.357 1.00 0.00 N ATOM 38 CA LEU A 3 5.050 -13.312 -4.031 1.00 0.00 C ATOM 39 C LEU A 3 6.053 -12.163 -4.013 1.00 0.00 C ATOM 40 O LEU A 3 6.763 -11.962 -3.029 1.00 0.00 O ATOM 41 CB LEU A 3 3.744 -12.874 -3.367 1.00 0.00 C ATOM 42 CG LEU A 3 2.661 -13.952 -3.292 1.00 0.00 C ATOM 43 CD1 LEU A 3 1.475 -13.461 -2.476 1.00 0.00 C ATOM 44 CD2 LEU A 3 2.218 -14.360 -4.689 1.00 0.00 C ATOM 0 H LEU A 3 5.994 -14.295 -2.438 1.00 0.00 H new ATOM 0 HA LEU A 3 4.848 -13.581 -5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.965 -12.532 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.346 -12.018 -3.913 1.00 0.00 H new ATOM 0 HG LEU A 3 3.080 -14.827 -2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.715 -14.241 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.804 -13.219 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.055 -12.570 -2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.447 -15.128 -4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.817 -13.492 -5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.072 -14.754 -5.241 1.00 0.00 H new ATOM 56 N PHE A 4 6.107 -11.413 -5.109 1.00 0.00 N ATOM 57 CA PHE A 4 7.025 -10.285 -5.218 1.00 0.00 C ATOM 58 C PHE A 4 6.271 -8.961 -5.146 1.00 0.00 C ATOM 59 O PHE A 4 5.221 -8.798 -5.766 1.00 0.00 O ATOM 60 CB PHE A 4 7.813 -10.367 -6.526 1.00 0.00 C ATOM 61 CG PHE A 4 8.865 -11.440 -6.525 1.00 0.00 C ATOM 62 CD1 PHE A 4 10.137 -11.183 -6.026 1.00 0.00 C ATOM 63 CD2 PHE A 4 8.583 -12.707 -7.024 1.00 0.00 C ATOM 64 CE1 PHE A 4 11.109 -12.171 -6.024 1.00 0.00 C ATOM 65 CE2 PHE A 4 9.552 -13.699 -7.025 1.00 0.00 C ATOM 66 CZ PHE A 4 10.816 -13.430 -6.525 1.00 0.00 C ATOM 0 H PHE A 4 5.526 -11.566 -5.934 1.00 0.00 H new ATOM 0 HA PHE A 4 7.720 -10.332 -4.380 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.120 -10.549 -7.348 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.287 -9.404 -6.716 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.370 -10.203 -5.636 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.599 -12.921 -7.415 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.093 -11.960 -5.633 1.00 0.00 H new ATOM 0 HE2 PHE A 4 9.322 -14.680 -7.415 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.573 -14.201 -6.526 1.00 0.00 H new ATOM 76 N VAL A 5 6.818 -8.017 -4.386 1.00 0.00 N ATOM 77 CA VAL A 5 6.199 -6.706 -4.233 1.00 0.00 C ATOM 78 C VAL A 5 7.211 -5.591 -4.472 1.00 0.00 C ATOM 79 O VAL A 5 8.229 -5.505 -3.786 1.00 0.00 O ATOM 80 CB VAL A 5 5.585 -6.533 -2.831 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.535 -5.433 -2.840 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.990 -7.845 -2.344 1.00 0.00 C ATOM 0 H VAL A 5 7.688 -8.136 -3.867 1.00 0.00 H new ATOM 0 HA VAL A 5 5.406 -6.642 -4.978 1.00 0.00 H new ATOM 0 HB VAL A 5 6.376 -6.241 -2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.112 -5.325 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.996 -4.493 -3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.743 -5.692 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.561 -7.704 -1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.211 -8.169 -3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.771 -8.604 -2.297 1.00 0.00 H new ATOM 92 N LYS A 6 6.925 -4.738 -5.451 1.00 0.00 N ATOM 93 CA LYS A 6 7.812 -3.627 -5.780 1.00 0.00 C ATOM 94 C LYS A 6 7.218 -2.300 -5.318 1.00 0.00 C ATOM 95 O LYS A 6 6.000 -2.157 -5.212 1.00 0.00 O ATOM 96 CB LYS A 6 8.073 -3.583 -7.286 1.00 0.00 C ATOM 97 CG LYS A 6 6.805 -3.586 -8.125 1.00 0.00 C ATOM 98 CD LYS A 6 6.866 -2.542 -9.229 1.00 0.00 C ATOM 99 CE LYS A 6 7.943 -2.874 -10.249 1.00 0.00 C ATOM 100 NZ LYS A 6 7.938 -1.921 -11.393 1.00 0.00 N ATOM 0 H LYS A 6 6.087 -4.795 -6.030 1.00 0.00 H new ATOM 0 HA LYS A 6 8.756 -3.784 -5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.651 -2.689 -7.520 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.685 -4.441 -7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.660 -4.573 -8.564 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.944 -3.392 -7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.898 -2.480 -9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.064 -1.562 -8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.919 -2.855 -9.765 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.791 -3.887 -10.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.888 -1.880 -11.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.255 -2.241 -12.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.668 -0.975 -11.056 1.00 0.00 H new ATOM 114 N THR A 7 8.088 -1.334 -5.043 1.00 0.00 N ATOM 115 CA THR A 7 7.650 -0.017 -4.591 1.00 0.00 C ATOM 116 C THR A 7 7.782 1.014 -5.706 1.00 0.00 C ATOM 117 O THR A 7 8.118 0.677 -6.842 1.00 0.00 O ATOM 118 CB THR A 7 8.466 0.423 -3.374 1.00 0.00 C ATOM 119 OG1 THR A 7 9.848 0.198 -3.590 1.00 0.00 O ATOM 120 CG2 THR A 7 8.077 -0.295 -2.100 1.00 0.00 C ATOM 0 H THR A 7 9.099 -1.437 -5.125 1.00 0.00 H new ATOM 0 HA THR A 7 6.599 -0.087 -4.310 1.00 0.00 H new ATOM 0 HB THR A 7 8.253 1.485 -3.252 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.034 -0.763 -3.543 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.694 0.065 -1.277 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.028 -0.100 -1.879 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.229 -1.367 -2.226 1.00 0.00 H new ATOM 128 N LEU A 8 7.516 2.273 -5.375 1.00 0.00 N ATOM 129 CA LEU A 8 7.605 3.356 -6.348 1.00 0.00 C ATOM 130 C LEU A 8 9.058 3.765 -6.582 1.00 0.00 C ATOM 131 O LEU A 8 9.339 4.652 -7.387 1.00 0.00 O ATOM 132 CB LEU A 8 6.796 4.566 -5.874 1.00 0.00 C ATOM 133 CG LEU A 8 5.288 4.336 -5.762 1.00 0.00 C ATOM 134 CD1 LEU A 8 4.536 5.643 -5.967 1.00 0.00 C ATOM 135 CD2 LEU A 8 4.828 3.290 -6.766 1.00 0.00 C ATOM 0 H LEU A 8 7.237 2.569 -4.440 1.00 0.00 H new ATOM 0 HA LEU A 8 7.191 2.995 -7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.174 4.877 -4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.971 5.393 -6.562 1.00 0.00 H new ATOM 0 HG LEU A 8 5.070 3.965 -4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.464 5.463 -5.884 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.843 6.362 -5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.762 6.041 -6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.752 3.141 -6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.058 3.629 -7.776 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.343 2.349 -6.573 1.00 0.00 H new ATOM 147 N THR A 9 9.976 3.116 -5.872 1.00 0.00 N ATOM 148 CA THR A 9 11.396 3.417 -6.005 1.00 0.00 C ATOM 149 C THR A 9 12.152 2.238 -6.611 1.00 0.00 C ATOM 150 O THR A 9 13.328 2.354 -6.955 1.00 0.00 O ATOM 151 CB THR A 9 11.992 3.776 -4.642 1.00 0.00 C ATOM 152 OG1 THR A 9 12.288 2.605 -3.901 1.00 0.00 O ATOM 153 CG2 THR A 9 11.078 4.636 -3.797 1.00 0.00 C ATOM 0 H THR A 9 9.762 2.379 -5.200 1.00 0.00 H new ATOM 0 HA THR A 9 11.498 4.270 -6.675 1.00 0.00 H new ATOM 0 HB THR A 9 12.896 4.344 -4.862 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.670 2.855 -3.034 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.561 4.854 -2.845 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.870 5.569 -4.320 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.143 4.105 -3.617 1.00 0.00 H new ATOM 161 N GLY A 10 11.470 1.105 -6.740 1.00 0.00 N ATOM 162 CA GLY A 10 12.095 -0.076 -7.305 1.00 0.00 C ATOM 163 C GLY A 10 12.431 -1.116 -6.254 1.00 0.00 C ATOM 164 O GLY A 10 12.836 -2.232 -6.582 1.00 0.00 O ATOM 0 H GLY A 10 10.496 0.984 -6.463 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.428 -0.516 -8.046 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.006 0.214 -7.828 1.00 0.00 H new ATOM 168 N LYS A 11 12.262 -0.751 -4.988 1.00 0.00 N ATOM 169 CA LYS A 11 12.551 -1.660 -3.885 1.00 0.00 C ATOM 170 C LYS A 11 11.601 -2.854 -3.899 1.00 0.00 C ATOM 171 O LYS A 11 10.475 -2.771 -3.408 1.00 0.00 O ATOM 172 CB LYS A 11 12.440 -0.923 -2.549 1.00 0.00 C ATOM 173 CG LYS A 11 13.613 -1.173 -1.617 1.00 0.00 C ATOM 174 CD LYS A 11 13.217 -0.987 -0.162 1.00 0.00 C ATOM 175 CE LYS A 11 12.789 -2.301 0.471 1.00 0.00 C ATOM 176 NZ LYS A 11 13.670 -2.683 1.609 1.00 0.00 N ATOM 0 H LYS A 11 11.926 0.168 -4.700 1.00 0.00 H new ATOM 0 HA LYS A 11 13.570 -2.028 -4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.360 0.147 -2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.520 -1.228 -2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.989 -2.185 -1.766 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.427 -0.491 -1.864 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.057 -0.570 0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.401 -0.267 -0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.760 -2.217 0.821 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.806 -3.089 -0.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.344 -3.584 2.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.648 -2.788 1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.634 -1.943 2.339 1.00 0.00 H new ATOM 190 N THR A 12 12.063 -3.964 -4.466 1.00 0.00 N ATOM 191 CA THR A 12 11.255 -5.176 -4.544 1.00 0.00 C ATOM 192 C THR A 12 11.505 -6.078 -3.339 1.00 0.00 C ATOM 193 O THR A 12 12.604 -6.100 -2.785 1.00 0.00 O ATOM 194 CB THR A 12 11.563 -5.936 -5.835 1.00 0.00 C ATOM 195 OG1 THR A 12 11.833 -5.036 -6.895 1.00 0.00 O ATOM 196 CG2 THR A 12 10.437 -6.844 -6.279 1.00 0.00 C ATOM 0 H THR A 12 12.992 -4.049 -4.878 1.00 0.00 H new ATOM 0 HA THR A 12 10.205 -4.882 -4.543 1.00 0.00 H new ATOM 0 HB THR A 12 12.434 -6.550 -5.607 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.029 -5.541 -7.711 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.721 -7.352 -7.200 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.238 -7.583 -5.503 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.539 -6.251 -6.454 1.00 0.00 H new ATOM 204 N LEU A 13 10.478 -6.822 -2.939 1.00 0.00 N ATOM 205 CA LEU A 13 10.589 -7.726 -1.799 1.00 0.00 C ATOM 206 C LEU A 13 10.044 -9.108 -2.145 1.00 0.00 C ATOM 207 O LEU A 13 9.309 -9.272 -3.119 1.00 0.00 O ATOM 208 CB LEU A 13 9.838 -7.157 -0.594 1.00 0.00 C ATOM 209 CG LEU A 13 10.725 -6.512 0.473 1.00 0.00 C ATOM 210 CD1 LEU A 13 9.971 -5.406 1.195 1.00 0.00 C ATOM 211 CD2 LEU A 13 11.217 -7.558 1.461 1.00 0.00 C ATOM 0 H LEU A 13 9.561 -6.817 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 13 11.645 -7.824 -1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.122 -6.415 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.263 -7.959 -0.131 1.00 0.00 H new ATOM 0 HG LEU A 13 11.592 -6.071 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.617 -4.958 1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.669 -4.643 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.086 -5.823 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.846 -7.081 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.363 -8.028 1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.795 -8.315 0.931 1.00 0.00 H new ATOM 223 N THR A 14 10.409 -10.100 -1.339 1.00 0.00 N ATOM 224 CA THR A 14 9.957 -11.469 -1.557 1.00 0.00 C ATOM 225 C THR A 14 9.302 -12.030 -0.300 1.00 0.00 C ATOM 226 O THR A 14 9.973 -12.288 0.701 1.00 0.00 O ATOM 227 CB THR A 14 11.131 -12.355 -1.975 1.00 0.00 C ATOM 228 OG1 THR A 14 11.864 -11.755 -3.028 1.00 0.00 O ATOM 229 CG2 THR A 14 10.705 -13.732 -2.440 1.00 0.00 C ATOM 0 H THR A 14 11.017 -9.981 -0.529 1.00 0.00 H new ATOM 0 HA THR A 14 9.217 -11.459 -2.357 1.00 0.00 H new ATOM 0 HB THR A 14 11.743 -12.463 -1.080 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.469 -12.009 -3.888 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.585 -14.309 -2.722 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.180 -14.242 -1.633 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.043 -13.637 -3.301 1.00 0.00 H new ATOM 237 N VAL A 15 7.988 -12.218 -0.357 1.00 0.00 N ATOM 238 CA VAL A 15 7.241 -12.749 0.778 1.00 0.00 C ATOM 239 C VAL A 15 6.640 -14.112 0.452 1.00 0.00 C ATOM 240 O VAL A 15 6.705 -14.573 -0.688 1.00 0.00 O ATOM 241 CB VAL A 15 6.112 -11.792 1.203 1.00 0.00 C ATOM 242 CG1 VAL A 15 6.634 -10.750 2.180 1.00 0.00 C ATOM 243 CG2 VAL A 15 5.489 -11.127 -0.015 1.00 0.00 C ATOM 0 H VAL A 15 7.418 -12.011 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 15 7.948 -12.854 1.601 1.00 0.00 H new ATOM 0 HB VAL A 15 5.339 -12.373 1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.822 -10.083 2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.028 -11.247 3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.427 -10.172 1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.693 -10.454 0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.251 -10.559 -0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.076 -11.890 -0.675 1.00 0.00 H new ATOM 253 N GLU A 16 6.058 -14.753 1.459 1.00 0.00 N ATOM 254 CA GLU A 16 5.445 -16.064 1.278 1.00 0.00 C ATOM 255 C GLU A 16 3.994 -16.058 1.749 1.00 0.00 C ATOM 256 O GLU A 16 3.707 -15.755 2.907 1.00 0.00 O ATOM 257 CB GLU A 16 6.235 -17.129 2.041 1.00 0.00 C ATOM 258 CG GLU A 16 6.562 -16.736 3.473 1.00 0.00 C ATOM 259 CD GLU A 16 5.787 -17.548 4.492 1.00 0.00 C ATOM 260 OE1 GLU A 16 4.543 -17.594 4.391 1.00 0.00 O ATOM 261 OE2 GLU A 16 6.424 -18.136 5.391 1.00 0.00 O ATOM 0 H GLU A 16 5.998 -14.387 2.409 1.00 0.00 H new ATOM 0 HA GLU A 16 5.462 -16.300 0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.663 -18.057 2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.164 -17.332 1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.630 -16.866 3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.343 -15.678 3.614 1.00 0.00 H new ATOM 268 N LEU A 17 3.082 -16.394 0.842 1.00 0.00 N ATOM 269 CA LEU A 17 1.660 -16.427 1.162 1.00 0.00 C ATOM 270 C LEU A 17 0.942 -17.489 0.338 1.00 0.00 C ATOM 271 O LEU A 17 1.554 -18.170 -0.485 1.00 0.00 O ATOM 272 CB LEU A 17 1.027 -15.057 0.913 1.00 0.00 C ATOM 273 CG LEU A 17 1.626 -13.910 1.733 1.00 0.00 C ATOM 274 CD1 LEU A 17 1.598 -12.615 0.936 1.00 0.00 C ATOM 275 CD2 LEU A 17 0.879 -13.748 3.047 1.00 0.00 C ATOM 0 H LEU A 17 3.303 -16.647 -0.121 1.00 0.00 H new ATOM 0 HA LEU A 17 1.557 -16.680 2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.123 -14.816 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.039 -15.121 1.130 1.00 0.00 H new ATOM 0 HG LEU A 17 2.665 -14.151 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.027 -11.811 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.179 -12.738 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.568 -12.367 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.318 -12.929 3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.169 -13.528 2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.952 -14.670 3.623 1.00 0.00 H new ATOM 287 N GLU A 18 -0.361 -17.628 0.565 1.00 0.00 N ATOM 288 CA GLU A 18 -1.162 -18.609 -0.158 1.00 0.00 C ATOM 289 C GLU A 18 -2.185 -17.922 -1.056 1.00 0.00 C ATOM 290 O GLU A 18 -2.565 -16.775 -0.819 1.00 0.00 O ATOM 291 CB GLU A 18 -1.875 -19.541 0.825 1.00 0.00 C ATOM 292 CG GLU A 18 -1.023 -19.929 2.022 1.00 0.00 C ATOM 293 CD GLU A 18 -0.023 -21.020 1.694 1.00 0.00 C ATOM 294 OE1 GLU A 18 0.310 -21.182 0.502 1.00 0.00 O ATOM 295 OE2 GLU A 18 0.428 -21.713 2.630 1.00 0.00 O ATOM 0 H GLU A 18 -0.884 -17.074 1.243 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.491 -19.196 -0.785 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.784 -19.055 1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.181 -20.445 0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.491 -19.050 2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.671 -20.266 2.831 1.00 0.00 H new ATOM 302 N PRO A 19 -2.647 -18.622 -2.102 1.00 0.00 N ATOM 303 CA PRO A 19 -3.635 -18.084 -3.043 1.00 0.00 C ATOM 304 C PRO A 19 -4.978 -17.818 -2.374 1.00 0.00 C ATOM 305 O PRO A 19 -5.786 -17.032 -2.870 1.00 0.00 O ATOM 306 CB PRO A 19 -3.770 -19.188 -4.097 1.00 0.00 C ATOM 307 CG PRO A 19 -3.304 -20.430 -3.417 1.00 0.00 C ATOM 308 CD PRO A 19 -2.244 -19.995 -2.446 1.00 0.00 C ATOM 0 HA PRO A 19 -3.324 -17.124 -3.456 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.801 -19.287 -4.435 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.165 -18.969 -4.977 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.127 -20.925 -2.901 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.904 -21.143 -4.138 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.215 -20.638 -1.567 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.251 -20.023 -2.895 1.00 0.00 H new ATOM 316 N SER A 20 -5.209 -18.476 -1.242 1.00 0.00 N ATOM 317 CA SER A 20 -6.454 -18.310 -0.501 1.00 0.00 C ATOM 318 C SER A 20 -6.369 -17.110 0.436 1.00 0.00 C ATOM 319 O SER A 20 -7.388 -16.601 0.903 1.00 0.00 O ATOM 320 CB SER A 20 -6.770 -19.576 0.296 1.00 0.00 C ATOM 321 OG SER A 20 -5.676 -19.949 1.117 1.00 0.00 O ATOM 0 H SER A 20 -4.550 -19.129 -0.818 1.00 0.00 H new ATOM 0 HA SER A 20 -7.256 -18.133 -1.217 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.652 -19.410 0.914 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.009 -20.390 -0.388 1.00 0.00 H new ATOM 0 HG SER A 20 -5.904 -20.760 1.617 1.00 0.00 H new ATOM 327 N ASP A 21 -5.147 -16.665 0.708 1.00 0.00 N ATOM 328 CA ASP A 21 -4.927 -15.524 1.589 1.00 0.00 C ATOM 329 C ASP A 21 -5.735 -14.315 1.125 1.00 0.00 C ATOM 330 O ASP A 21 -6.207 -14.271 -0.010 1.00 0.00 O ATOM 331 CB ASP A 21 -3.439 -15.172 1.638 1.00 0.00 C ATOM 332 CG ASP A 21 -2.641 -16.152 2.476 1.00 0.00 C ATOM 333 OD1 ASP A 21 -3.209 -17.190 2.877 1.00 0.00 O ATOM 334 OD2 ASP A 21 -1.449 -15.881 2.732 1.00 0.00 O ATOM 0 H ASP A 21 -4.294 -17.077 0.331 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.261 -15.798 2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.039 -15.155 0.624 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.319 -14.168 2.045 1.00 0.00 H new ATOM 339 N THR A 22 -5.893 -13.338 2.013 1.00 0.00 N ATOM 340 CA THR A 22 -6.645 -12.131 1.692 1.00 0.00 C ATOM 341 C THR A 22 -5.718 -10.927 1.560 1.00 0.00 C ATOM 342 O THR A 22 -4.615 -10.916 2.110 1.00 0.00 O ATOM 343 CB THR A 22 -7.700 -11.862 2.766 1.00 0.00 C ATOM 344 OG1 THR A 22 -7.151 -11.100 3.828 1.00 0.00 O ATOM 345 CG2 THR A 22 -8.283 -13.125 3.362 1.00 0.00 C ATOM 0 H THR A 22 -5.511 -13.359 2.958 1.00 0.00 H new ATOM 0 HA THR A 22 -7.142 -12.288 0.735 1.00 0.00 H new ATOM 0 HB THR A 22 -8.496 -11.318 2.259 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.379 -11.572 4.204 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.024 -12.863 4.117 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.757 -13.713 2.576 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.488 -13.711 3.823 1.00 0.00 H new ATOM 353 N VAL A 23 -6.174 -9.914 0.831 1.00 0.00 N ATOM 354 CA VAL A 23 -5.386 -8.706 0.630 1.00 0.00 C ATOM 355 C VAL A 23 -4.892 -8.154 1.963 1.00 0.00 C ATOM 356 O VAL A 23 -3.794 -7.606 2.051 1.00 0.00 O ATOM 357 CB VAL A 23 -6.197 -7.618 -0.097 1.00 0.00 C ATOM 358 CG1 VAL A 23 -5.294 -6.469 -0.516 1.00 0.00 C ATOM 359 CG2 VAL A 23 -6.919 -8.207 -1.299 1.00 0.00 C ATOM 0 H VAL A 23 -7.084 -9.906 0.371 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.532 -8.980 0.010 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.946 -7.226 0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.885 -5.710 -1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.828 -6.032 0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.520 -6.841 -1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.487 -7.424 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.190 -8.627 -1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.598 -8.992 -0.967 1.00 0.00 H new ATOM 369 N GLU A 24 -5.712 -8.306 2.998 1.00 0.00 N ATOM 370 CA GLU A 24 -5.355 -7.828 4.328 1.00 0.00 C ATOM 371 C GLU A 24 -4.114 -8.548 4.840 1.00 0.00 C ATOM 372 O GLU A 24 -3.205 -7.926 5.391 1.00 0.00 O ATOM 373 CB GLU A 24 -6.518 -8.035 5.299 1.00 0.00 C ATOM 374 CG GLU A 24 -6.456 -7.137 6.524 1.00 0.00 C ATOM 375 CD GLU A 24 -6.411 -7.920 7.821 1.00 0.00 C ATOM 376 OE1 GLU A 24 -7.492 -8.228 8.365 1.00 0.00 O ATOM 377 OE2 GLU A 24 -5.295 -8.225 8.291 1.00 0.00 O ATOM 0 H GLU A 24 -6.626 -8.755 2.941 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.138 -6.762 4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.456 -7.854 4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.530 -9.076 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.574 -6.500 6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.325 -6.479 6.531 1.00 0.00 H new ATOM 384 N ASN A 25 -4.079 -9.863 4.650 1.00 0.00 N ATOM 385 CA ASN A 25 -2.946 -10.667 5.087 1.00 0.00 C ATOM 386 C ASN A 25 -1.661 -10.180 4.426 1.00 0.00 C ATOM 387 O ASN A 25 -0.649 -9.964 5.095 1.00 0.00 O ATOM 388 CB ASN A 25 -3.179 -12.142 4.752 1.00 0.00 C ATOM 389 CG ASN A 25 -4.395 -12.710 5.459 1.00 0.00 C ATOM 390 OD1 ASN A 25 -5.512 -12.647 4.944 1.00 0.00 O ATOM 391 ND2 ASN A 25 -4.184 -13.267 6.645 1.00 0.00 N ATOM 0 H ASN A 25 -4.823 -10.393 4.196 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.847 -10.562 6.167 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.304 -12.252 3.675 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.297 -12.719 5.031 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.964 -13.665 7.168 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.241 -13.297 7.034 1.00 0.00 H new ATOM 398 N LEU A 26 -1.711 -10.001 3.110 1.00 0.00 N ATOM 399 CA LEU A 26 -0.552 -9.530 2.361 1.00 0.00 C ATOM 400 C LEU A 26 -0.071 -8.191 2.907 1.00 0.00 C ATOM 401 O LEU A 26 1.096 -8.037 3.271 1.00 0.00 O ATOM 402 CB LEU A 26 -0.896 -9.398 0.876 1.00 0.00 C ATOM 403 CG LEU A 26 -0.053 -8.379 0.105 1.00 0.00 C ATOM 404 CD1 LEU A 26 1.420 -8.545 0.440 1.00 0.00 C ATOM 405 CD2 LEU A 26 -0.282 -8.524 -1.392 1.00 0.00 C ATOM 0 H LEU A 26 -2.540 -10.175 2.541 1.00 0.00 H new ATOM 0 HA LEU A 26 0.249 -10.260 2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.781 -10.374 0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.946 -9.121 0.785 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.362 -7.377 0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.005 -7.813 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.570 -8.392 1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.744 -9.550 0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.325 -7.792 -1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.000 -9.528 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.335 -8.355 -1.617 1.00 0.00 H new ATOM 417 N LYS A 27 -0.982 -7.225 2.968 1.00 0.00 N ATOM 418 CA LYS A 27 -0.654 -5.900 3.477 1.00 0.00 C ATOM 419 C LYS A 27 -0.034 -6.003 4.865 1.00 0.00 C ATOM 420 O LYS A 27 0.951 -5.330 5.170 1.00 0.00 O ATOM 421 CB LYS A 27 -1.905 -5.022 3.524 1.00 0.00 C ATOM 422 CG LYS A 27 -2.337 -4.508 2.159 1.00 0.00 C ATOM 423 CD LYS A 27 -3.848 -4.370 2.067 1.00 0.00 C ATOM 424 CE LYS A 27 -4.250 -3.355 1.009 1.00 0.00 C ATOM 425 NZ LYS A 27 -5.010 -2.216 1.591 1.00 0.00 N ATOM 0 H LYS A 27 -1.952 -7.336 2.671 1.00 0.00 H new ATOM 0 HA LYS A 27 0.070 -5.442 2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.723 -5.592 3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.719 -4.173 4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.870 -3.541 1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.985 -5.190 1.385 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.289 -5.338 1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.247 -4.066 3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.357 -2.978 0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.857 -3.845 0.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.367 -1.609 0.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.811 -2.580 2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.384 -1.661 2.209 1.00 0.00 H new ATOM 439 N ALA A 28 -0.612 -6.859 5.702 1.00 0.00 N ATOM 440 CA ALA A 28 -0.108 -7.058 7.053 1.00 0.00 C ATOM 441 C ALA A 28 1.380 -7.378 7.024 1.00 0.00 C ATOM 442 O ALA A 28 2.157 -6.847 7.818 1.00 0.00 O ATOM 443 CB ALA A 28 -0.879 -8.170 7.748 1.00 0.00 C ATOM 0 H ALA A 28 -1.428 -7.424 5.467 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.251 -6.135 7.615 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.490 -8.307 8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.935 -7.904 7.799 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.765 -9.097 7.187 1.00 0.00 H new ATOM 449 N LYS A 29 1.772 -8.244 6.094 1.00 0.00 N ATOM 450 CA LYS A 29 3.169 -8.629 5.951 1.00 0.00 C ATOM 451 C LYS A 29 4.025 -7.410 5.627 1.00 0.00 C ATOM 452 O LYS A 29 5.103 -7.226 6.194 1.00 0.00 O ATOM 453 CB LYS A 29 3.321 -9.684 4.853 1.00 0.00 C ATOM 454 CG LYS A 29 2.608 -10.990 5.161 1.00 0.00 C ATOM 455 CD LYS A 29 3.588 -12.079 5.572 1.00 0.00 C ATOM 456 CE LYS A 29 2.908 -13.158 6.397 1.00 0.00 C ATOM 457 NZ LYS A 29 2.170 -12.588 7.559 1.00 0.00 N ATOM 0 H LYS A 29 1.141 -8.691 5.429 1.00 0.00 H new ATOM 0 HA LYS A 29 3.508 -9.054 6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.934 -9.281 3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.381 -9.886 4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.884 -10.830 5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.048 -11.315 4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.032 -12.525 4.682 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.402 -11.639 6.147 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.216 -13.715 5.766 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.655 -13.867 6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.261 -13.226 8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.568 -11.658 7.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.165 -12.481 7.313 1.00 0.00 H new ATOM 471 N ILE A 30 3.534 -6.577 4.713 1.00 0.00 N ATOM 472 CA ILE A 30 4.250 -5.370 4.317 1.00 0.00 C ATOM 473 C ILE A 30 4.292 -4.361 5.460 1.00 0.00 C ATOM 474 O ILE A 30 5.098 -3.429 5.452 1.00 0.00 O ATOM 475 CB ILE A 30 3.602 -4.706 3.087 1.00 0.00 C ATOM 476 CG1 ILE A 30 3.330 -5.747 2.000 1.00 0.00 C ATOM 477 CG2 ILE A 30 4.495 -3.595 2.554 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.904 -5.143 0.680 1.00 0.00 C ATOM 0 H ILE A 30 2.644 -6.716 4.234 1.00 0.00 H new ATOM 0 HA ILE A 30 5.265 -5.674 4.061 1.00 0.00 H new ATOM 0 HB ILE A 30 2.650 -4.268 3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.230 -6.342 1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.553 -6.428 2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.024 -3.135 1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.641 -2.842 3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.460 -4.011 2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.728 -5.938 -0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.987 -4.571 0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.690 -4.484 0.311 1.00 0.00 H new ATOM 490 N GLN A 31 3.417 -4.553 6.442 1.00 0.00 N ATOM 491 CA GLN A 31 3.352 -3.660 7.593 1.00 0.00 C ATOM 492 C GLN A 31 4.307 -4.120 8.690 1.00 0.00 C ATOM 493 O GLN A 31 4.747 -3.323 9.518 1.00 0.00 O ATOM 494 CB GLN A 31 1.923 -3.593 8.136 1.00 0.00 C ATOM 495 CG GLN A 31 1.783 -2.722 9.374 1.00 0.00 C ATOM 496 CD GLN A 31 0.358 -2.666 9.890 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.371 -3.657 9.845 1.00 0.00 O ATOM 498 NE2 GLN A 31 -0.047 -1.501 10.384 1.00 0.00 N ATOM 0 H GLN A 31 2.743 -5.319 6.464 1.00 0.00 H new ATOM 0 HA GLN A 31 3.653 -2.664 7.267 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.264 -3.210 7.356 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.585 -4.602 8.372 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.435 -3.105 10.159 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.122 -1.712 9.143 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.591 -0.705 10.402 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.996 -1.402 10.745 1.00 0.00 H new ATOM 507 N ASP A 32 4.623 -5.411 8.692 1.00 0.00 N ATOM 508 CA ASP A 32 5.526 -5.975 9.688 1.00 0.00 C ATOM 509 C ASP A 32 6.973 -5.918 9.209 1.00 0.00 C ATOM 510 O ASP A 32 7.904 -6.114 9.989 1.00 0.00 O ATOM 511 CB ASP A 32 5.139 -7.416 10.002 1.00 0.00 C ATOM 512 CG ASP A 32 4.754 -7.610 11.454 1.00 0.00 C ATOM 513 OD1 ASP A 32 5.403 -6.998 12.329 1.00 0.00 O ATOM 514 OD2 ASP A 32 3.800 -8.373 11.719 1.00 0.00 O ATOM 0 H ASP A 32 4.267 -6.086 8.015 1.00 0.00 H new ATOM 0 HA ASP A 32 5.439 -5.378 10.596 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.305 -7.712 9.366 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.974 -8.074 9.760 1.00 0.00 H new ATOM 519 N LYS A 33 7.154 -5.650 7.920 1.00 0.00 N ATOM 520 CA LYS A 33 8.488 -5.568 7.334 1.00 0.00 C ATOM 521 C LYS A 33 8.803 -4.142 6.894 1.00 0.00 C ATOM 522 O LYS A 33 9.810 -3.564 7.301 1.00 0.00 O ATOM 523 CB LYS A 33 8.603 -6.518 6.142 1.00 0.00 C ATOM 524 CG LYS A 33 8.989 -7.937 6.529 1.00 0.00 C ATOM 525 CD LYS A 33 10.154 -8.445 5.696 1.00 0.00 C ATOM 526 CE LYS A 33 10.786 -9.681 6.314 1.00 0.00 C ATOM 527 NZ LYS A 33 9.965 -10.901 6.086 1.00 0.00 N ATOM 0 H LYS A 33 6.393 -5.486 7.260 1.00 0.00 H new ATOM 0 HA LYS A 33 9.210 -5.862 8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.650 -6.541 5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.344 -6.126 5.446 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.256 -7.967 7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.132 -8.597 6.398 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.808 -8.677 4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.904 -7.660 5.602 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.780 -9.829 5.892 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.914 -9.525 7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.432 -11.721 6.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.025 -10.771 6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.864 -11.065 5.064 1.00 0.00 H new ATOM 541 N GLU A 34 7.934 -3.580 6.060 1.00 0.00 N ATOM 542 CA GLU A 34 8.119 -2.221 5.563 1.00 0.00 C ATOM 543 C GLU A 34 7.421 -1.209 6.467 1.00 0.00 C ATOM 544 O GLU A 34 7.520 -0.001 6.251 1.00 0.00 O ATOM 545 CB GLU A 34 7.582 -2.101 4.136 1.00 0.00 C ATOM 546 CG GLU A 34 8.350 -2.934 3.124 1.00 0.00 C ATOM 547 CD GLU A 34 8.200 -2.413 1.708 1.00 0.00 C ATOM 548 OE1 GLU A 34 8.173 -1.177 1.528 1.00 0.00 O ATOM 549 OE2 GLU A 34 8.110 -3.242 0.777 1.00 0.00 O ATOM 0 H GLU A 34 7.095 -4.045 5.714 1.00 0.00 H new ATOM 0 HA GLU A 34 9.187 -2.004 5.563 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.535 -2.405 4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.614 -1.055 3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.406 -2.944 3.394 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.000 -3.965 3.167 1.00 0.00 H new ATOM 556 N GLY A 35 6.717 -1.706 7.478 1.00 0.00 N ATOM 557 CA GLY A 35 6.016 -0.826 8.394 1.00 0.00 C ATOM 558 C GLY A 35 4.947 -0.004 7.701 1.00 0.00 C ATOM 559 O GLY A 35 4.571 1.065 8.181 1.00 0.00 O ATOM 0 H GLY A 35 6.619 -2.701 7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.558 -1.420 9.185 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.732 -0.157 8.871 1.00 0.00 H new ATOM 563 N ILE A 36 4.456 -0.503 6.571 1.00 0.00 N ATOM 564 CA ILE A 36 3.424 0.195 5.814 1.00 0.00 C ATOM 565 C ILE A 36 2.035 -0.308 6.189 1.00 0.00 C ATOM 566 O ILE A 36 1.756 -1.504 6.120 1.00 0.00 O ATOM 567 CB ILE A 36 3.626 0.027 4.297 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.118 0.006 3.958 1.00 0.00 C ATOM 569 CG2 ILE A 36 2.922 1.145 3.545 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.405 -0.335 2.511 1.00 0.00 C ATOM 0 H ILE A 36 4.756 -1.387 6.160 1.00 0.00 H new ATOM 0 HA ILE A 36 3.507 1.252 6.067 1.00 0.00 H new ATOM 0 HB ILE A 36 3.190 -0.924 3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.548 0.982 4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.618 -0.719 4.600 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.073 1.014 2.473 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.855 1.117 3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.332 2.106 3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.482 -0.331 2.343 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.006 -1.323 2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.934 0.404 1.863 1.00 0.00 H new ATOM 582 N PRO A 37 1.143 0.608 6.597 1.00 0.00 N ATOM 583 CA PRO A 37 -0.223 0.261 6.988 1.00 0.00 C ATOM 584 C PRO A 37 -1.135 0.032 5.789 1.00 0.00 C ATOM 585 O PRO A 37 -1.049 0.737 4.784 1.00 0.00 O ATOM 586 CB PRO A 37 -0.676 1.485 7.779 1.00 0.00 C ATOM 587 CG PRO A 37 0.088 2.622 7.188 1.00 0.00 C ATOM 588 CD PRO A 37 1.402 2.055 6.710 1.00 0.00 C ATOM 0 HA PRO A 37 -0.263 -0.672 7.550 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.751 1.640 7.687 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.460 1.372 8.841 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.463 3.072 6.362 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.250 3.406 7.928 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.698 2.484 5.753 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.207 2.263 7.415 1.00 0.00 H new ATOM 596 N PRO A 38 -2.026 -0.964 5.888 1.00 0.00 N ATOM 597 CA PRO A 38 -2.968 -1.296 4.816 1.00 0.00 C ATOM 598 C PRO A 38 -3.846 -0.109 4.438 1.00 0.00 C ATOM 599 O PRO A 38 -4.412 -0.063 3.345 1.00 0.00 O ATOM 600 CB PRO A 38 -3.822 -2.418 5.416 1.00 0.00 C ATOM 601 CG PRO A 38 -2.995 -2.986 6.519 1.00 0.00 C ATOM 602 CD PRO A 38 -2.184 -1.841 7.058 1.00 0.00 C ATOM 0 HA PRO A 38 -2.454 -1.582 3.899 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.770 -2.034 5.792 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.058 -3.176 4.669 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.625 -3.418 7.296 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.349 -3.783 6.152 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.696 -1.334 7.876 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.221 -2.176 7.444 1.00 0.00 H new ATOM 610 N ASP A 39 -3.954 0.851 5.351 1.00 0.00 N ATOM 611 CA ASP A 39 -4.764 2.041 5.120 1.00 0.00 C ATOM 612 C ASP A 39 -4.100 2.964 4.104 1.00 0.00 C ATOM 613 O ASP A 39 -4.778 3.646 3.338 1.00 0.00 O ATOM 614 CB ASP A 39 -4.990 2.791 6.435 1.00 0.00 C ATOM 615 CG ASP A 39 -3.729 2.887 7.271 1.00 0.00 C ATOM 616 OD1 ASP A 39 -2.792 3.597 6.850 1.00 0.00 O ATOM 617 OD2 ASP A 39 -3.679 2.252 8.346 1.00 0.00 O ATOM 0 H ASP A 39 -3.490 0.828 6.259 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.726 1.723 4.719 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.357 3.795 6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.766 2.285 7.010 1.00 0.00 H new ATOM 622 N GLN A 40 -2.771 2.983 4.106 1.00 0.00 N ATOM 623 CA GLN A 40 -2.017 3.824 3.183 1.00 0.00 C ATOM 624 C GLN A 40 -1.391 2.992 2.066 1.00 0.00 C ATOM 625 O GLN A 40 -0.691 3.522 1.204 1.00 0.00 O ATOM 626 CB GLN A 40 -0.925 4.589 3.935 1.00 0.00 C ATOM 627 CG GLN A 40 -1.447 5.390 5.116 1.00 0.00 C ATOM 628 CD GLN A 40 -1.132 6.869 5.002 1.00 0.00 C ATOM 629 OE1 GLN A 40 -1.348 7.483 3.957 1.00 0.00 O ATOM 630 NE2 GLN A 40 -0.617 7.450 6.079 1.00 0.00 N ATOM 0 H GLN A 40 -2.194 2.426 4.736 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.711 4.535 2.734 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.176 3.881 4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.423 5.264 3.242 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.526 5.257 5.192 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.012 4.999 6.036 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.454 6.903 6.925 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.384 8.443 6.061 1.00 0.00 H new ATOM 639 N GLN A 41 -1.646 1.687 2.089 1.00 0.00 N ATOM 640 CA GLN A 41 -1.104 0.786 1.079 1.00 0.00 C ATOM 641 C GLN A 41 -2.055 0.654 -0.107 1.00 0.00 C ATOM 642 O GLN A 41 -3.260 0.468 0.065 1.00 0.00 O ATOM 643 CB GLN A 41 -0.838 -0.593 1.687 1.00 0.00 C ATOM 644 CG GLN A 41 0.621 -0.829 2.038 1.00 0.00 C ATOM 645 CD GLN A 41 0.917 -2.282 2.351 1.00 0.00 C ATOM 646 OE1 GLN A 41 1.245 -3.066 1.460 1.00 0.00 O ATOM 647 NE2 GLN A 41 0.803 -2.649 3.622 1.00 0.00 N ATOM 0 H GLN A 41 -2.224 1.231 2.795 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.165 1.209 0.721 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.443 -0.708 2.586 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.163 -1.360 0.984 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.248 -0.505 1.207 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.888 -0.214 2.897 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.528 -1.965 4.328 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.990 -3.614 3.893 1.00 0.00 H new ATOM 656 N ARG A 42 -1.501 0.747 -1.312 1.00 0.00 N ATOM 657 CA ARG A 42 -2.293 0.635 -2.532 1.00 0.00 C ATOM 658 C ARG A 42 -1.677 -0.389 -3.479 1.00 0.00 C ATOM 659 O ARG A 42 -0.753 -0.077 -4.231 1.00 0.00 O ATOM 660 CB ARG A 42 -2.395 1.994 -3.226 1.00 0.00 C ATOM 661 CG ARG A 42 -3.690 2.190 -3.998 1.00 0.00 C ATOM 662 CD ARG A 42 -4.121 3.647 -4.002 1.00 0.00 C ATOM 663 NE ARG A 42 -4.850 4.000 -5.217 1.00 0.00 N ATOM 664 CZ ARG A 42 -4.270 4.174 -6.399 1.00 0.00 C ATOM 665 NH1 ARG A 42 -2.958 4.025 -6.525 1.00 0.00 N ATOM 666 NH2 ARG A 42 -5.000 4.497 -7.458 1.00 0.00 N ATOM 0 H ARG A 42 -0.505 0.900 -1.470 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.294 0.301 -2.261 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.305 2.782 -2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.554 2.107 -3.910 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.559 1.845 -5.024 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.476 1.578 -3.554 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.750 3.841 -3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.242 4.285 -3.909 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.861 4.120 -5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.393 3.776 -5.713 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.514 4.159 -7.434 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.009 4.612 -7.366 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.552 4.630 -8.365 1.00 0.00 H new ATOM 680 N LEU A 43 -2.189 -1.615 -3.433 1.00 0.00 N ATOM 681 CA LEU A 43 -1.683 -2.686 -4.283 1.00 0.00 C ATOM 682 C LEU A 43 -2.430 -2.730 -5.611 1.00 0.00 C ATOM 683 O LEU A 43 -3.650 -2.571 -5.656 1.00 0.00 O ATOM 684 CB LEU A 43 -1.810 -4.034 -3.569 1.00 0.00 C ATOM 685 CG LEU A 43 -1.485 -4.007 -2.074 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.152 -5.174 -1.362 1.00 0.00 C ATOM 687 CD2 LEU A 43 0.020 -4.038 -1.856 1.00 0.00 C ATOM 0 H LEU A 43 -2.953 -1.891 -2.816 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.631 -2.486 -4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.828 -4.402 -3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.148 -4.750 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.875 -3.080 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.910 -5.139 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.232 -5.109 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.792 -6.112 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.233 -4.018 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.432 -4.948 -2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.475 -3.170 -2.333 1.00 0.00 H new ATOM 699 N ILE A 44 -1.688 -2.947 -6.693 1.00 0.00 N ATOM 700 CA ILE A 44 -2.277 -3.012 -8.025 1.00 0.00 C ATOM 701 C ILE A 44 -1.669 -4.149 -8.839 1.00 0.00 C ATOM 702 O ILE A 44 -0.448 -4.256 -8.959 1.00 0.00 O ATOM 703 CB ILE A 44 -2.086 -1.690 -8.790 1.00 0.00 C ATOM 704 CG1 ILE A 44 -2.467 -0.502 -7.904 1.00 0.00 C ATOM 705 CG2 ILE A 44 -2.912 -1.691 -10.067 1.00 0.00 C ATOM 706 CD1 ILE A 44 -1.758 0.782 -8.276 1.00 0.00 C ATOM 0 H ILE A 44 -0.677 -3.081 -6.673 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.343 -3.193 -7.890 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.035 -1.595 -9.061 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.544 -0.344 -7.966 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.239 -0.746 -6.866 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.766 -0.749 -10.596 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.597 -2.518 -10.704 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.967 -1.807 -9.818 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.077 1.581 -7.606 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.681 0.642 -8.187 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.005 1.050 -9.303 1.00 0.00 H new ATOM 718 N PHE A 45 -2.527 -4.996 -9.396 1.00 0.00 N ATOM 719 CA PHE A 45 -2.073 -6.125 -10.200 1.00 0.00 C ATOM 720 C PHE A 45 -2.552 -5.994 -11.642 1.00 0.00 C ATOM 721 O PHE A 45 -3.747 -6.089 -11.920 1.00 0.00 O ATOM 722 CB PHE A 45 -2.576 -7.440 -9.600 1.00 0.00 C ATOM 723 CG PHE A 45 -1.747 -8.632 -9.985 1.00 0.00 C ATOM 724 CD1 PHE A 45 -0.379 -8.652 -9.737 1.00 0.00 C ATOM 725 CD2 PHE A 45 -2.334 -9.735 -10.595 1.00 0.00 C ATOM 726 CE1 PHE A 45 0.389 -9.751 -10.090 1.00 0.00 C ATOM 727 CE2 PHE A 45 -1.571 -10.836 -10.951 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.208 -10.844 -10.698 1.00 0.00 C ATOM 0 H PHE A 45 -3.540 -4.923 -9.306 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.983 -6.126 -10.197 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.589 -7.353 -8.514 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.605 -7.605 -9.919 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.091 -7.802 -9.264 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.396 -9.734 -10.793 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.451 -9.755 -9.892 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.038 -11.687 -11.425 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.388 -11.701 -10.974 1.00 0.00 H new ATOM 738 N ALA A 46 -1.611 -5.775 -12.555 1.00 0.00 N ATOM 739 CA ALA A 46 -1.938 -5.630 -13.968 1.00 0.00 C ATOM 740 C ALA A 46 -3.110 -4.677 -14.166 1.00 0.00 C ATOM 741 O ALA A 46 -4.036 -4.962 -14.926 1.00 0.00 O ATOM 742 CB ALA A 46 -2.252 -6.989 -14.578 1.00 0.00 C ATOM 0 H ALA A 46 -0.617 -5.694 -12.341 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.071 -5.207 -14.475 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.495 -6.867 -15.634 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.385 -7.642 -14.478 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.102 -7.433 -14.059 1.00 0.00 H new ATOM 748 N GLY A 47 -3.065 -3.540 -13.479 1.00 0.00 N ATOM 749 CA GLY A 47 -4.128 -2.560 -13.593 1.00 0.00 C ATOM 750 C GLY A 47 -5.378 -2.968 -12.841 1.00 0.00 C ATOM 751 O GLY A 47 -6.482 -2.540 -13.178 1.00 0.00 O ATOM 0 H GLY A 47 -2.310 -3.280 -12.845 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.776 -1.601 -13.212 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.372 -2.415 -14.645 1.00 0.00 H new ATOM 755 N LYS A 48 -5.207 -3.797 -11.816 1.00 0.00 N ATOM 756 CA LYS A 48 -6.331 -4.261 -11.013 1.00 0.00 C ATOM 757 C LYS A 48 -6.131 -3.911 -9.541 1.00 0.00 C ATOM 758 O LYS A 48 -5.491 -4.653 -8.798 1.00 0.00 O ATOM 759 CB LYS A 48 -6.511 -5.772 -11.170 1.00 0.00 C ATOM 760 CG LYS A 48 -7.959 -6.224 -11.072 1.00 0.00 C ATOM 761 CD LYS A 48 -8.289 -7.265 -12.129 1.00 0.00 C ATOM 762 CE LYS A 48 -8.690 -6.616 -13.444 1.00 0.00 C ATOM 763 NZ LYS A 48 -10.004 -7.118 -13.933 1.00 0.00 N ATOM 0 H LYS A 48 -4.300 -4.161 -11.523 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.230 -3.757 -11.369 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.107 -6.080 -12.135 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.927 -6.281 -10.403 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.146 -6.638 -10.081 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.619 -5.364 -11.188 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.425 -7.909 -12.289 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.100 -7.901 -11.774 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.740 -5.535 -13.315 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.924 -6.813 -14.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.241 -6.651 -14.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.950 -8.146 -14.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.740 -6.908 -13.229 1.00 0.00 H new ATOM 777 N GLN A 49 -6.683 -2.773 -9.131 1.00 0.00 N ATOM 778 CA GLN A 49 -6.567 -2.321 -7.750 1.00 0.00 C ATOM 779 C GLN A 49 -7.215 -3.317 -6.793 1.00 0.00 C ATOM 780 O GLN A 49 -8.411 -3.592 -6.883 1.00 0.00 O ATOM 781 CB GLN A 49 -7.215 -0.945 -7.587 1.00 0.00 C ATOM 782 CG GLN A 49 -6.332 0.062 -6.870 1.00 0.00 C ATOM 783 CD GLN A 49 -6.084 1.311 -7.694 1.00 0.00 C ATOM 784 OE1 GLN A 49 -4.938 1.671 -7.965 1.00 0.00 O ATOM 785 NE2 GLN A 49 -7.158 1.977 -8.098 1.00 0.00 N ATOM 0 H GLN A 49 -7.215 -2.147 -9.736 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.507 -2.249 -7.506 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.471 -0.554 -8.572 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.148 -1.055 -7.035 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.799 0.341 -5.925 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.377 -0.405 -6.628 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.089 1.642 -7.850 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.053 2.824 -8.657 1.00 0.00 H new ATOM 794 N LEU A 50 -6.416 -3.854 -5.876 1.00 0.00 N ATOM 795 CA LEU A 50 -6.912 -4.818 -4.901 1.00 0.00 C ATOM 796 C LEU A 50 -7.808 -4.138 -3.870 1.00 0.00 C ATOM 797 O LEU A 50 -7.652 -2.950 -3.586 1.00 0.00 O ATOM 798 CB LEU A 50 -5.745 -5.514 -4.198 1.00 0.00 C ATOM 799 CG LEU A 50 -4.662 -6.061 -5.128 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.743 -7.013 -4.378 1.00 0.00 C ATOM 801 CD2 LEU A 50 -5.293 -6.758 -6.325 1.00 0.00 C ATOM 0 H LEU A 50 -5.423 -3.638 -5.788 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.502 -5.563 -5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.285 -4.809 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.139 -6.336 -3.601 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.064 -5.225 -5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.979 -7.392 -5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.266 -6.484 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.325 -7.847 -3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.509 -7.142 -6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.914 -7.584 -5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.909 -6.048 -6.877 1.00 0.00 H new ATOM 813 N GLU A 51 -8.744 -4.899 -3.312 1.00 0.00 N ATOM 814 CA GLU A 51 -9.663 -4.370 -2.313 1.00 0.00 C ATOM 815 C GLU A 51 -9.633 -5.217 -1.045 1.00 0.00 C ATOM 816 O GLU A 51 -9.882 -6.422 -1.085 1.00 0.00 O ATOM 817 CB GLU A 51 -11.086 -4.321 -2.872 1.00 0.00 C ATOM 818 CG GLU A 51 -11.210 -3.501 -4.147 1.00 0.00 C ATOM 819 CD GLU A 51 -12.290 -4.026 -5.073 1.00 0.00 C ATOM 820 OE1 GLU A 51 -12.650 -5.215 -4.952 1.00 0.00 O ATOM 821 OE2 GLU A 51 -12.776 -3.245 -5.920 1.00 0.00 O ATOM 0 H GLU A 51 -8.885 -5.884 -3.535 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.344 -3.358 -2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.425 -5.338 -3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.751 -3.904 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.430 -2.465 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.254 -3.503 -4.671 1.00 0.00 H new ATOM 828 N ASP A 52 -9.326 -4.579 0.080 1.00 0.00 N ATOM 829 CA ASP A 52 -9.263 -5.274 1.360 1.00 0.00 C ATOM 830 C ASP A 52 -10.518 -6.110 1.589 1.00 0.00 C ATOM 831 O ASP A 52 -11.608 -5.573 1.780 1.00 0.00 O ATOM 832 CB ASP A 52 -9.092 -4.269 2.501 1.00 0.00 C ATOM 833 CG ASP A 52 -9.026 -4.940 3.859 1.00 0.00 C ATOM 834 OD1 ASP A 52 -8.498 -6.068 3.939 1.00 0.00 O ATOM 835 OD2 ASP A 52 -9.504 -4.336 4.843 1.00 0.00 O ATOM 0 H ASP A 52 -9.117 -3.582 0.131 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.402 -5.942 1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.181 -3.692 2.340 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.923 -3.564 2.488 1.00 0.00 H new ATOM 840 N GLY A 53 -10.354 -7.429 1.567 1.00 0.00 N ATOM 841 CA GLY A 53 -11.482 -8.320 1.774 1.00 0.00 C ATOM 842 C GLY A 53 -11.544 -9.428 0.741 1.00 0.00 C ATOM 843 O GLY A 53 -12.226 -10.433 0.940 1.00 0.00 O ATOM 0 H GLY A 53 -9.461 -7.897 1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.416 -8.759 2.769 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.407 -7.744 1.740 1.00 0.00 H new ATOM 847 N ARG A 54 -10.829 -9.244 -0.364 1.00 0.00 N ATOM 848 CA ARG A 54 -10.807 -10.237 -1.433 1.00 0.00 C ATOM 849 C ARG A 54 -9.643 -11.206 -1.250 1.00 0.00 C ATOM 850 O ARG A 54 -8.734 -10.958 -0.459 1.00 0.00 O ATOM 851 CB ARG A 54 -10.705 -9.550 -2.795 1.00 0.00 C ATOM 852 CG ARG A 54 -11.528 -8.276 -2.896 1.00 0.00 C ATOM 853 CD ARG A 54 -13.018 -8.575 -2.921 1.00 0.00 C ATOM 854 NE ARG A 54 -13.747 -7.808 -1.915 1.00 0.00 N ATOM 855 CZ ARG A 54 -14.954 -8.141 -1.466 1.00 0.00 C ATOM 856 NH1 ARG A 54 -15.562 -9.223 -1.932 1.00 0.00 N ATOM 857 NH2 ARG A 54 -15.552 -7.390 -0.551 1.00 0.00 N ATOM 0 H ARG A 54 -10.258 -8.418 -0.543 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.738 -10.802 -1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.660 -9.315 -2.997 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.030 -10.245 -3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.300 -7.627 -2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.250 -7.733 -3.799 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.417 -8.347 -3.910 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.177 -9.640 -2.750 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.306 -6.970 -1.535 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.104 -9.802 -2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.488 -9.477 -1.586 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.086 -6.557 -0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.478 -7.646 -0.207 1.00 0.00 H new ATOM 871 N THR A 55 -9.679 -12.311 -1.987 1.00 0.00 N ATOM 872 CA THR A 55 -8.628 -13.318 -1.906 1.00 0.00 C ATOM 873 C THR A 55 -7.738 -13.278 -3.145 1.00 0.00 C ATOM 874 O THR A 55 -8.219 -13.079 -4.260 1.00 0.00 O ATOM 875 CB THR A 55 -9.239 -14.711 -1.750 1.00 0.00 C ATOM 876 OG1 THR A 55 -10.129 -14.990 -2.816 1.00 0.00 O ATOM 877 CG2 THR A 55 -10.003 -14.887 -0.456 1.00 0.00 C ATOM 0 H THR A 55 -10.425 -12.532 -2.647 1.00 0.00 H new ATOM 0 HA THR A 55 -8.015 -13.097 -1.032 1.00 0.00 H new ATOM 0 HB THR A 55 -8.394 -15.399 -1.751 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.970 -14.506 -2.675 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.411 -15.897 -0.409 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.332 -14.727 0.388 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.818 -14.164 -0.414 1.00 0.00 H new ATOM 885 N LEU A 56 -6.439 -13.467 -2.940 1.00 0.00 N ATOM 886 CA LEU A 56 -5.483 -13.452 -4.040 1.00 0.00 C ATOM 887 C LEU A 56 -6.000 -14.266 -5.222 1.00 0.00 C ATOM 888 O LEU A 56 -5.812 -13.888 -6.378 1.00 0.00 O ATOM 889 CB LEU A 56 -4.132 -14.004 -3.578 1.00 0.00 C ATOM 890 CG LEU A 56 -3.382 -13.125 -2.576 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.071 -13.780 -2.170 1.00 0.00 C ATOM 892 CD2 LEU A 56 -3.132 -11.744 -3.164 1.00 0.00 C ATOM 0 H LEU A 56 -6.025 -13.632 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.355 -12.419 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.292 -14.985 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.499 -14.153 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.999 -13.012 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.551 -13.141 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.275 -14.747 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.447 -13.922 -3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.597 -11.131 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.534 -11.837 -4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.085 -11.273 -3.405 1.00 0.00 H new ATOM 904 N SER A 57 -6.652 -15.386 -4.923 1.00 0.00 N ATOM 905 CA SER A 57 -7.196 -16.252 -5.963 1.00 0.00 C ATOM 906 C SER A 57 -8.261 -15.522 -6.775 1.00 0.00 C ATOM 907 O SER A 57 -8.414 -15.760 -7.974 1.00 0.00 O ATOM 908 CB SER A 57 -7.789 -17.519 -5.342 1.00 0.00 C ATOM 909 OG SER A 57 -9.106 -17.751 -5.814 1.00 0.00 O ATOM 0 H SER A 57 -6.816 -15.714 -3.971 1.00 0.00 H new ATOM 0 HA SER A 57 -6.382 -16.531 -6.632 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.158 -18.375 -5.581 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.800 -17.425 -4.256 1.00 0.00 H new ATOM 0 HG SER A 57 -9.462 -18.567 -5.404 1.00 0.00 H new ATOM 915 N ASP A 58 -8.995 -14.634 -6.114 1.00 0.00 N ATOM 916 CA ASP A 58 -10.047 -13.868 -6.774 1.00 0.00 C ATOM 917 C ASP A 58 -9.483 -13.057 -7.935 1.00 0.00 C ATOM 918 O ASP A 58 -10.215 -12.666 -8.846 1.00 0.00 O ATOM 919 CB ASP A 58 -10.734 -12.938 -5.773 1.00 0.00 C ATOM 920 CG ASP A 58 -11.598 -13.693 -4.782 1.00 0.00 C ATOM 921 OD1 ASP A 58 -12.179 -14.728 -5.169 1.00 0.00 O ATOM 922 OD2 ASP A 58 -11.692 -13.249 -3.618 1.00 0.00 O ATOM 0 H ASP A 58 -8.881 -14.426 -5.122 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.781 -14.571 -7.169 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.978 -12.369 -5.232 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.349 -12.218 -6.313 1.00 0.00 H new ATOM 927 N TYR A 59 -8.179 -12.806 -7.898 1.00 0.00 N ATOM 928 CA TYR A 59 -7.518 -12.040 -8.946 1.00 0.00 C ATOM 929 C TYR A 59 -6.748 -12.961 -9.888 1.00 0.00 C ATOM 930 O TYR A 59 -5.783 -12.543 -10.529 1.00 0.00 O ATOM 931 CB TYR A 59 -6.570 -11.008 -8.334 1.00 0.00 C ATOM 932 CG TYR A 59 -7.268 -9.981 -7.471 1.00 0.00 C ATOM 933 CD1 TYR A 59 -8.191 -9.093 -8.021 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.006 -9.898 -6.104 1.00 0.00 C ATOM 935 CE1 TYR A 59 -8.833 -8.150 -7.233 1.00 0.00 C ATOM 936 CE2 TYR A 59 -7.645 -8.959 -5.310 1.00 0.00 C ATOM 937 CZ TYR A 59 -8.557 -8.088 -5.879 1.00 0.00 C ATOM 938 OH TYR A 59 -9.192 -7.154 -5.094 1.00 0.00 O ATOM 0 H TYR A 59 -7.559 -13.123 -7.152 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.285 -11.520 -9.520 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.821 -11.526 -7.734 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.038 -10.496 -9.135 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.410 -9.140 -9.078 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.294 -10.576 -5.657 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.545 -7.468 -7.674 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.432 -8.907 -4.252 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.078 -6.962 -5.466 1.00 0.00 H new ATOM 948 N ASN A 60 -7.181 -14.215 -9.965 1.00 0.00 N ATOM 949 CA ASN A 60 -6.532 -15.194 -10.828 1.00 0.00 C ATOM 950 C ASN A 60 -5.020 -14.988 -10.841 1.00 0.00 C ATOM 951 O ASN A 60 -4.411 -14.855 -11.902 1.00 0.00 O ATOM 952 CB ASN A 60 -7.083 -15.098 -12.251 1.00 0.00 C ATOM 953 CG ASN A 60 -7.502 -13.687 -12.616 1.00 0.00 C ATOM 954 OD1 ASN A 60 -6.880 -13.041 -13.459 1.00 0.00 O ATOM 955 ND2 ASN A 60 -8.560 -13.202 -11.978 1.00 0.00 N ATOM 0 H ASN A 60 -7.978 -14.577 -9.441 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.743 -16.187 -10.432 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.325 -15.442 -12.955 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.939 -15.766 -12.352 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.888 -12.257 -12.179 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.045 -13.774 -11.286 1.00 0.00 H new ATOM 962 N LEU A 61 -4.421 -14.964 -9.655 1.00 0.00 N ATOM 963 CA LEU A 61 -2.980 -14.773 -9.530 1.00 0.00 C ATOM 964 C LEU A 61 -2.237 -16.086 -9.753 1.00 0.00 C ATOM 965 O LEU A 61 -2.845 -17.155 -9.803 1.00 0.00 O ATOM 966 CB LEU A 61 -2.636 -14.206 -8.152 1.00 0.00 C ATOM 967 CG LEU A 61 -2.402 -12.695 -8.114 1.00 0.00 C ATOM 968 CD1 LEU A 61 -3.289 -12.044 -7.064 1.00 0.00 C ATOM 969 CD2 LEU A 61 -0.937 -12.389 -7.842 1.00 0.00 C ATOM 0 H LEU A 61 -4.911 -15.074 -8.767 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.665 -14.063 -10.295 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.445 -14.451 -7.463 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.741 -14.706 -7.783 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.664 -12.281 -9.088 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.109 -10.969 -7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.335 -12.234 -7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.059 -12.462 -6.084 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.789 -11.309 -7.818 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.648 -12.816 -6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.322 -12.822 -8.631 1.00 0.00 H new ATOM 981 N GLN A 62 -0.917 -15.997 -9.886 1.00 0.00 N ATOM 982 CA GLN A 62 -0.091 -17.178 -10.104 1.00 0.00 C ATOM 983 C GLN A 62 1.082 -17.206 -9.131 1.00 0.00 C ATOM 984 O GLN A 62 1.142 -16.414 -8.191 1.00 0.00 O ATOM 985 CB GLN A 62 0.426 -17.207 -11.544 1.00 0.00 C ATOM 986 CG GLN A 62 -0.569 -16.667 -12.558 1.00 0.00 C ATOM 987 CD GLN A 62 -0.054 -15.438 -13.282 1.00 0.00 C ATOM 988 OE1 GLN A 62 1.145 -15.304 -13.526 1.00 0.00 O ATOM 989 NE2 GLN A 62 -0.962 -14.532 -13.628 1.00 0.00 N ATOM 0 H GLN A 62 -0.398 -15.120 -9.847 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.708 -18.060 -9.929 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.345 -16.624 -11.603 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.682 -18.233 -11.809 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.798 -17.445 -13.287 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.502 -16.421 -12.051 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.946 -14.685 -13.405 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.676 -13.684 -14.116 1.00 0.00 H new ATOM 998 N LYS A 63 2.014 -18.125 -9.363 1.00 0.00 N ATOM 999 CA LYS A 63 3.187 -18.257 -8.508 1.00 0.00 C ATOM 1000 C LYS A 63 4.229 -17.198 -8.846 1.00 0.00 C ATOM 1001 O LYS A 63 4.557 -16.986 -10.014 1.00 0.00 O ATOM 1002 CB LYS A 63 3.796 -19.652 -8.654 1.00 0.00 C ATOM 1003 CG LYS A 63 4.365 -20.207 -7.358 1.00 0.00 C ATOM 1004 CD LYS A 63 3.481 -21.302 -6.786 1.00 0.00 C ATOM 1005 CE LYS A 63 4.253 -22.596 -6.591 1.00 0.00 C ATOM 1006 NZ LYS A 63 4.272 -23.023 -5.165 1.00 0.00 N ATOM 0 H LYS A 63 1.979 -18.789 -10.136 1.00 0.00 H new ATOM 0 HA LYS A 63 2.870 -18.112 -7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.033 -20.335 -9.028 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.587 -19.617 -9.403 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.365 -20.602 -7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.467 -19.402 -6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.068 -20.976 -5.831 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.638 -21.477 -7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.804 -23.381 -7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.276 -22.465 -6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.808 -23.909 -5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.723 -22.285 -4.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.297 -23.173 -4.835 1.00 0.00 H new ATOM 1020 N GLU A 64 4.747 -16.535 -7.818 1.00 0.00 N ATOM 1021 CA GLU A 64 5.755 -15.497 -8.007 1.00 0.00 C ATOM 1022 C GLU A 64 5.229 -14.386 -8.912 1.00 0.00 C ATOM 1023 O GLU A 64 5.626 -14.275 -10.071 1.00 0.00 O ATOM 1024 CB GLU A 64 7.028 -16.098 -8.606 1.00 0.00 C ATOM 1025 CG GLU A 64 7.386 -17.457 -8.028 1.00 0.00 C ATOM 1026 CD GLU A 64 7.187 -18.583 -9.024 1.00 0.00 C ATOM 1027 OE1 GLU A 64 6.588 -18.335 -10.091 1.00 0.00 O ATOM 1028 OE2 GLU A 64 7.633 -19.715 -8.737 1.00 0.00 O ATOM 0 H GLU A 64 4.486 -16.697 -6.845 1.00 0.00 H new ATOM 0 HA GLU A 64 5.987 -15.068 -7.032 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.903 -16.192 -9.685 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.858 -15.411 -8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.425 -17.446 -7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.775 -17.645 -7.145 1.00 0.00 H new ATOM 1035 N SER A 65 4.333 -13.566 -8.373 1.00 0.00 N ATOM 1036 CA SER A 65 3.752 -12.463 -9.130 1.00 0.00 C ATOM 1037 C SER A 65 4.378 -11.134 -8.722 1.00 0.00 C ATOM 1038 O SER A 65 4.960 -11.015 -7.643 1.00 0.00 O ATOM 1039 CB SER A 65 2.237 -12.413 -8.919 1.00 0.00 C ATOM 1040 OG SER A 65 1.633 -13.647 -9.264 1.00 0.00 O ATOM 0 H SER A 65 3.993 -13.644 -7.414 1.00 0.00 H new ATOM 0 HA SER A 65 3.959 -12.632 -10.187 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.019 -12.177 -7.877 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.809 -11.613 -9.523 1.00 0.00 H new ATOM 0 HG SER A 65 1.750 -14.285 -8.529 1.00 0.00 H new ATOM 1046 N THR A 66 4.255 -10.136 -9.591 1.00 0.00 N ATOM 1047 CA THR A 66 4.809 -8.814 -9.320 1.00 0.00 C ATOM 1048 C THR A 66 3.698 -7.791 -9.101 1.00 0.00 C ATOM 1049 O THR A 66 3.027 -7.378 -10.047 1.00 0.00 O ATOM 1050 CB THR A 66 5.708 -8.369 -10.475 1.00 0.00 C ATOM 1051 OG1 THR A 66 6.710 -9.337 -10.732 1.00 0.00 O ATOM 1052 CG2 THR A 66 6.401 -7.049 -10.218 1.00 0.00 C ATOM 0 H THR A 66 3.777 -10.217 -10.488 1.00 0.00 H new ATOM 0 HA THR A 66 5.404 -8.877 -8.409 1.00 0.00 H new ATOM 0 HB THR A 66 5.043 -8.252 -11.331 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.274 -9.035 -11.475 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.023 -6.791 -11.075 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.654 -6.270 -10.064 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.026 -7.133 -9.329 1.00 0.00 H new ATOM 1060 N ILE A 67 3.511 -7.387 -7.850 1.00 0.00 N ATOM 1061 CA ILE A 67 2.483 -6.412 -7.507 1.00 0.00 C ATOM 1062 C ILE A 67 3.096 -5.047 -7.213 1.00 0.00 C ATOM 1063 O ILE A 67 4.097 -4.946 -6.504 1.00 0.00 O ATOM 1064 CB ILE A 67 1.663 -6.866 -6.283 1.00 0.00 C ATOM 1065 CG1 ILE A 67 0.853 -8.118 -6.619 1.00 0.00 C ATOM 1066 CG2 ILE A 67 0.747 -5.745 -5.815 1.00 0.00 C ATOM 1067 CD1 ILE A 67 0.856 -9.154 -5.517 1.00 0.00 C ATOM 0 H ILE A 67 4.058 -7.720 -7.056 1.00 0.00 H new ATOM 0 HA ILE A 67 1.822 -6.334 -8.370 1.00 0.00 H new ATOM 0 HB ILE A 67 2.351 -7.109 -5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.176 -7.829 -6.832 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.253 -8.566 -7.529 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.174 -6.080 -4.950 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.346 -4.877 -5.539 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.064 -5.474 -6.620 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.262 -10.014 -5.825 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.880 -9.472 -5.319 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.429 -8.723 -4.611 1.00 0.00 H new ATOM 1079 N HIS A 68 2.488 -4.000 -7.761 1.00 0.00 N ATOM 1080 CA HIS A 68 2.975 -2.641 -7.556 1.00 0.00 C ATOM 1081 C HIS A 68 2.322 -2.009 -6.331 1.00 0.00 C ATOM 1082 O HIS A 68 1.097 -1.910 -6.250 1.00 0.00 O ATOM 1083 CB HIS A 68 2.698 -1.786 -8.794 1.00 0.00 C ATOM 1084 CG HIS A 68 3.459 -2.223 -10.006 1.00 0.00 C ATOM 1085 ND1 HIS A 68 3.957 -1.340 -10.942 1.00 0.00 N ATOM 1086 CD2 HIS A 68 3.810 -3.459 -10.436 1.00 0.00 C ATOM 1087 CE1 HIS A 68 4.578 -2.013 -11.894 1.00 0.00 C ATOM 1088 NE2 HIS A 68 4.504 -3.300 -11.610 1.00 0.00 N ATOM 0 H HIS A 68 1.658 -4.067 -8.350 1.00 0.00 H new ATOM 0 HA HIS A 68 4.051 -2.688 -7.389 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.631 -1.816 -9.015 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.949 -0.749 -8.572 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.586 -4.395 -9.946 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.064 -1.583 -12.758 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.899 -4.054 -12.172 1.00 0.00 H new ATOM 1097 N LEU A 69 3.147 -1.583 -5.381 1.00 0.00 N ATOM 1098 CA LEU A 69 2.649 -0.961 -4.160 1.00 0.00 C ATOM 1099 C LEU A 69 2.758 0.556 -4.237 1.00 0.00 C ATOM 1100 O LEU A 69 3.853 1.116 -4.173 1.00 0.00 O ATOM 1101 CB LEU A 69 3.419 -1.478 -2.945 1.00 0.00 C ATOM 1102 CG LEU A 69 2.942 -0.933 -1.597 1.00 0.00 C ATOM 1103 CD1 LEU A 69 3.533 -1.743 -0.454 1.00 0.00 C ATOM 1104 CD2 LEU A 69 3.308 0.538 -1.458 1.00 0.00 C ATOM 0 H LEU A 69 4.163 -1.657 -5.433 1.00 0.00 H new ATOM 0 HA LEU A 69 1.597 -1.226 -4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.349 -2.566 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.473 -1.228 -3.068 1.00 0.00 H new ATOM 0 HG LEU A 69 1.857 -1.022 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.182 -1.341 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.220 -2.783 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.621 -1.687 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.961 0.910 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.390 0.651 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.835 1.108 -2.258 1.00 0.00 H new ATOM 1116 N VAL A 70 1.613 1.216 -4.369 1.00 0.00 N ATOM 1117 CA VAL A 70 1.575 2.670 -4.452 1.00 0.00 C ATOM 1118 C VAL A 70 0.882 3.265 -3.232 1.00 0.00 C ATOM 1119 O VAL A 70 0.020 2.631 -2.622 1.00 0.00 O ATOM 1120 CB VAL A 70 0.847 3.147 -5.723 1.00 0.00 C ATOM 1121 CG1 VAL A 70 1.513 4.396 -6.281 1.00 0.00 C ATOM 1122 CG2 VAL A 70 0.808 2.043 -6.769 1.00 0.00 C ATOM 0 H VAL A 70 0.699 0.767 -4.421 1.00 0.00 H new ATOM 0 HA VAL A 70 2.609 3.012 -4.489 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.180 3.396 -5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.986 4.719 -7.179 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.480 5.190 -5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.551 4.175 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.289 2.402 -7.658 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.826 1.756 -7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.281 1.178 -6.366 1.00 0.00 H new ATOM 1132 N LEU A 71 1.266 4.485 -2.881 1.00 0.00 N ATOM 1133 CA LEU A 71 0.684 5.171 -1.733 1.00 0.00 C ATOM 1134 C LEU A 71 -0.748 5.606 -2.030 1.00 0.00 C ATOM 1135 O LEU A 71 -1.065 6.010 -3.148 1.00 0.00 O ATOM 1136 CB LEU A 71 1.530 6.389 -1.355 1.00 0.00 C ATOM 1137 CG LEU A 71 1.905 6.482 0.124 1.00 0.00 C ATOM 1138 CD1 LEU A 71 3.408 6.330 0.304 1.00 0.00 C ATOM 1139 CD2 LEU A 71 1.423 7.797 0.714 1.00 0.00 C ATOM 0 H LEU A 71 1.979 5.021 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 71 0.669 4.474 -0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.446 6.374 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.986 7.291 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 71 1.413 5.668 0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.656 6.399 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.724 5.360 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.922 7.122 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.699 7.846 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.885 8.627 0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.339 7.863 0.619 1.00 0.00 H new ATOM 1151 N ARG A 72 -1.610 5.517 -1.023 1.00 0.00 N ATOM 1152 CA ARG A 72 -3.008 5.901 -1.179 1.00 0.00 C ATOM 1153 C ARG A 72 -3.134 7.162 -2.025 1.00 0.00 C ATOM 1154 O ARG A 72 -2.354 8.103 -1.876 1.00 0.00 O ATOM 1155 CB ARG A 72 -3.655 6.125 0.190 1.00 0.00 C ATOM 1156 CG ARG A 72 -4.369 4.898 0.733 1.00 0.00 C ATOM 1157 CD ARG A 72 -5.698 4.671 0.033 1.00 0.00 C ATOM 1158 NE ARG A 72 -6.740 4.245 0.964 1.00 0.00 N ATOM 1159 CZ ARG A 72 -7.993 3.991 0.600 1.00 0.00 C ATOM 1160 NH1 ARG A 72 -8.356 4.120 -0.668 1.00 0.00 N ATOM 1161 NH2 ARG A 72 -8.884 3.608 1.504 1.00 0.00 N ATOM 0 H ARG A 72 -1.365 5.183 -0.091 1.00 0.00 H new ATOM 0 HA ARG A 72 -3.526 5.089 -1.689 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.887 6.432 0.900 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.367 6.947 0.116 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.735 4.021 0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.536 5.017 1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.009 5.591 -0.463 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.575 3.916 -0.744 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.492 4.136 1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.673 4.415 -1.366 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.318 3.925 -0.946 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.609 3.508 2.481 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.845 3.414 1.223 1.00 0.00 H new ATOM 1175 N LEU A 73 -4.122 7.176 -2.914 1.00 0.00 N ATOM 1176 CA LEU A 73 -4.349 8.325 -3.784 1.00 0.00 C ATOM 1177 C LEU A 73 -4.437 9.613 -2.971 1.00 0.00 C ATOM 1178 O LEU A 73 -4.232 9.606 -1.757 1.00 0.00 O ATOM 1179 CB LEU A 73 -5.631 8.130 -4.598 1.00 0.00 C ATOM 1180 CG LEU A 73 -6.844 7.651 -3.797 1.00 0.00 C ATOM 1181 CD1 LEU A 73 -6.910 6.132 -3.787 1.00 0.00 C ATOM 1182 CD2 LEU A 73 -6.796 8.195 -2.377 1.00 0.00 C ATOM 0 H LEU A 73 -4.777 6.406 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.504 8.406 -4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.884 9.074 -5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.432 7.410 -5.392 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.746 8.030 -4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.779 5.809 -3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.994 5.765 -4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.005 5.731 -3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.667 7.844 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.888 7.847 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.799 9.285 -2.405 1.00 0.00 H new ATOM 1194 N ARG A 74 -4.739 10.716 -3.648 1.00 0.00 N ATOM 1195 CA ARG A 74 -4.850 12.012 -2.988 1.00 0.00 C ATOM 1196 C ARG A 74 -3.490 12.482 -2.481 1.00 0.00 C ATOM 1197 O ARG A 74 -2.846 11.802 -1.682 1.00 0.00 O ATOM 1198 CB ARG A 74 -5.844 11.935 -1.827 1.00 0.00 C ATOM 1199 CG ARG A 74 -6.325 13.296 -1.348 1.00 0.00 C ATOM 1200 CD ARG A 74 -6.390 13.364 0.170 1.00 0.00 C ATOM 1201 NE ARG A 74 -7.712 13.765 0.643 1.00 0.00 N ATOM 1202 CZ ARG A 74 -7.927 14.359 1.813 1.00 0.00 C ATOM 1203 NH1 ARG A 74 -6.910 14.616 2.625 1.00 0.00 N ATOM 1204 NH2 ARG A 74 -9.158 14.696 2.172 1.00 0.00 N ATOM 0 H ARG A 74 -4.911 10.738 -4.653 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.214 12.734 -3.719 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.705 11.342 -2.135 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.377 11.410 -0.994 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.654 14.071 -1.719 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.311 13.501 -1.765 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.135 12.390 0.588 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.645 14.071 0.534 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.515 13.579 0.042 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.962 14.358 2.352 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.076 15.072 3.522 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.942 14.500 1.550 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.321 15.152 3.070 1.00 0.00 H new ATOM 1218 N GLY A 75 -3.061 13.649 -2.950 1.00 0.00 N ATOM 1219 CA GLY A 75 -1.780 14.190 -2.532 1.00 0.00 C ATOM 1220 C GLY A 75 -1.728 15.701 -2.638 1.00 0.00 C ATOM 1221 O GLY A 75 -1.273 16.244 -3.644 1.00 0.00 O ATOM 0 H GLY A 75 -3.577 14.230 -3.611 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.582 13.894 -1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.989 13.758 -3.145 1.00 0.00 H new ATOM 1225 N GLY A 76 -2.195 16.381 -1.596 1.00 0.00 N ATOM 1226 CA GLY A 76 -2.190 17.832 -1.596 1.00 0.00 C ATOM 1227 C GLY A 76 -3.320 18.416 -2.422 1.00 0.00 C ATOM 1228 O GLY A 76 -4.197 17.641 -2.857 1.00 0.00 O ATOM 1229 OXT GLY A 76 -3.327 19.646 -2.632 1.00 0.00 O ATOM 0 H GLY A 76 -2.577 15.953 -0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.270 18.193 -0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.237 18.189 -1.986 1.00 0.00 H new TER 1233 GLY A 76