USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 573 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 7 THR OG1 : rot 180:sc= 0.111 USER MOD Set 1.2: A 9 THR OG1 : rot -11:sc= 0.0432 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 159:sc= 0.89 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 138:sc= 0.752 USER MOD Single : A 1 MET CE :methyl -164:sc= 0 (180deg=-0.396) USER MOD Single : A 1 MET N :NH3+ 170:sc= 1.54 (180deg=1.26) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 0.653 (180deg=-0.371!) USER MOD Single : A 14 THR OG1 : rot -82:sc= 0.145 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0374 K(o=-0.037,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 135:sc= 0.384 (180deg=-0.766!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.952 X(o=-0.95,f=-0.91) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.23 K(o=-0.23,f=-1.4) USER MOD Single : A 41 GLN : amide:sc= 0.956 K(o=0.96,f=-2.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.915 K(o=0.91,f=-5.7!) USER MOD Single : A 55 THR OG1 : rot -67:sc= 1.22 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.404 USER MOD Single : A 60 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.18) USER MOD Single : A 62 GLN : amide:sc= 0.175 X(o=0.18,f=-0.07) USER MOD Single : A 63 LYS NZ :NH3+ -154:sc= 1.26 (180deg=-0.464) USER MOD Single : A 65 SER OG : rot 84:sc= 0.385 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0175 X(o=-0.017,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.093 43.291 -11.934 1.00 0.00 N ATOM 2 CA MET A 1 -4.671 44.468 -11.155 1.00 0.00 C ATOM 3 C MET A 1 -3.709 44.977 -10.067 1.00 0.00 C ATOM 4 O MET A 1 -2.711 44.355 -9.801 1.00 0.00 O ATOM 5 CB MET A 1 -6.043 44.119 -10.549 1.00 0.00 C ATOM 6 CG MET A 1 -6.272 42.821 -9.685 1.00 0.00 C ATOM 7 SD MET A 1 -5.274 42.544 -8.138 1.00 0.00 S ATOM 8 CE MET A 1 -5.822 40.868 -7.601 1.00 0.00 C ATOM 0 H1 MET A 1 -4.833 42.875 -12.535 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.308 43.622 -12.530 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.744 42.572 -11.268 1.00 0.00 H new ATOM 0 HA MET A 1 -4.808 45.278 -11.871 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.336 44.965 -9.927 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.749 44.073 -11.378 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.324 42.803 -9.400 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.104 41.964 -10.337 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.529 40.704 -6.564 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.906 40.795 -7.688 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.356 40.113 -8.233 1.00 0.00 H new ATOM 18 N GLN A 2 -3.904 46.220 -9.508 1.00 0.00 N ATOM 19 CA GLN A 2 -3.067 46.714 -8.413 1.00 0.00 C ATOM 20 C GLN A 2 -3.256 45.966 -7.083 1.00 0.00 C ATOM 21 O GLN A 2 -4.360 45.689 -6.697 1.00 0.00 O ATOM 22 CB GLN A 2 -3.331 48.258 -8.108 1.00 0.00 C ATOM 23 CG GLN A 2 -3.127 49.180 -9.363 1.00 0.00 C ATOM 24 CD GLN A 2 -3.149 50.649 -8.923 1.00 0.00 C ATOM 25 OE1 GLN A 2 -2.081 51.318 -9.040 1.00 0.00 O ATOM 26 NE2 GLN A 2 -4.270 51.227 -8.567 1.00 0.00 N ATOM 0 H GLN A 2 -4.629 46.871 -9.809 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.053 46.545 -8.776 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.349 48.380 -7.737 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.661 48.584 -7.313 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -2.179 48.948 -9.848 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.913 48.996 -10.095 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.123 50.674 -8.477 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -4.290 52.230 -8.380 1.00 0.00 H new ATOM 35 N ILE A 3 -2.178 45.587 -6.380 1.00 0.00 N ATOM 36 CA ILE A 3 -2.260 45.189 -4.948 1.00 0.00 C ATOM 37 C ILE A 3 -1.132 45.879 -4.266 1.00 0.00 C ATOM 38 O ILE A 3 -0.169 46.335 -4.921 1.00 0.00 O ATOM 39 CB ILE A 3 -2.127 43.669 -4.595 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.807 43.061 -5.213 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.404 43.044 -5.148 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.472 41.623 -4.642 1.00 0.00 C ATOM 0 H ILE A 3 -1.237 45.545 -6.770 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.269 45.458 -4.635 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.033 43.477 -3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.911 43.002 -6.296 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.027 43.732 -5.009 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.401 41.973 -4.947 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.270 43.501 -4.669 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.455 43.211 -6.224 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.445 41.254 -5.101 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.338 41.682 -3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.292 40.941 -4.869 1.00 0.00 H new ATOM 54 N PHE A 4 -1.230 45.970 -2.951 1.00 0.00 N ATOM 55 CA PHE A 4 -0.138 46.522 -2.171 1.00 0.00 C ATOM 56 C PHE A 4 0.540 45.412 -1.383 1.00 0.00 C ATOM 57 O PHE A 4 -0.067 44.456 -0.859 1.00 0.00 O ATOM 58 CB PHE A 4 -0.646 47.625 -1.226 1.00 0.00 C ATOM 59 CG PHE A 4 -1.428 48.751 -1.875 1.00 0.00 C ATOM 60 CD1 PHE A 4 -2.824 48.847 -1.655 1.00 0.00 C ATOM 61 CD2 PHE A 4 -0.813 49.630 -2.778 1.00 0.00 C ATOM 62 CE1 PHE A 4 -3.572 49.835 -2.235 1.00 0.00 C ATOM 63 CE2 PHE A 4 -1.585 50.644 -3.365 1.00 0.00 C ATOM 64 CZ PHE A 4 -2.956 50.730 -3.133 1.00 0.00 C ATOM 0 H PHE A 4 -2.041 45.674 -2.408 1.00 0.00 H new ATOM 0 HA PHE A 4 0.588 46.971 -2.849 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.276 47.163 -0.466 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.212 48.056 -0.709 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.309 48.124 -1.015 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.235 49.528 -3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.624 49.928 -2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.109 51.370 -4.007 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.545 51.480 -3.640 1.00 0.00 H new ATOM 74 N VAL A 5 1.861 45.615 -1.240 1.00 0.00 N ATOM 75 CA VAL A 5 2.655 44.893 -0.263 1.00 0.00 C ATOM 76 C VAL A 5 3.276 45.916 0.724 1.00 0.00 C ATOM 77 O VAL A 5 3.949 46.831 0.293 1.00 0.00 O ATOM 78 CB VAL A 5 3.777 44.016 -0.905 1.00 0.00 C ATOM 79 CG1 VAL A 5 4.385 43.059 0.138 1.00 0.00 C ATOM 80 CG2 VAL A 5 3.132 43.131 -2.011 1.00 0.00 C ATOM 0 H VAL A 5 2.394 46.281 -1.799 1.00 0.00 H new ATOM 0 HA VAL A 5 1.992 44.202 0.257 1.00 0.00 H new ATOM 0 HB VAL A 5 4.550 44.674 -1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.164 42.458 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.815 43.638 0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.606 42.404 0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.899 42.510 -2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.367 42.494 -1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.677 43.769 -2.769 1.00 0.00 H new ATOM 90 N LYS A 6 2.995 45.634 2.028 1.00 0.00 N ATOM 91 CA LYS A 6 3.747 46.143 3.168 1.00 0.00 C ATOM 92 C LYS A 6 4.941 45.268 3.451 1.00 0.00 C ATOM 93 O LYS A 6 4.820 44.049 3.565 1.00 0.00 O ATOM 94 CB LYS A 6 2.865 46.127 4.489 1.00 0.00 C ATOM 95 CG LYS A 6 1.530 46.867 4.276 1.00 0.00 C ATOM 96 CD LYS A 6 1.632 48.444 4.216 1.00 0.00 C ATOM 97 CE LYS A 6 0.207 49.018 3.856 1.00 0.00 C ATOM 98 NZ LYS A 6 0.212 50.526 3.770 1.00 0.00 N ATOM 0 H LYS A 6 2.219 45.032 2.301 1.00 0.00 H new ATOM 0 HA LYS A 6 4.048 47.159 2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.669 45.097 4.787 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.417 46.595 5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.082 46.513 3.348 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.850 46.594 5.083 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.970 48.840 5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.364 48.749 3.469 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.122 48.601 2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.513 48.700 4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.601 50.844 3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.147 50.928 4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.093 50.845 3.320 1.00 0.00 H new ATOM 112 N THR A 7 6.123 45.953 3.560 1.00 0.00 N ATOM 113 CA THR A 7 7.375 45.280 3.836 1.00 0.00 C ATOM 114 C THR A 7 7.771 45.285 5.307 1.00 0.00 C ATOM 115 O THR A 7 7.074 45.899 6.143 1.00 0.00 O ATOM 116 CB THR A 7 8.559 45.824 2.926 1.00 0.00 C ATOM 117 OG1 THR A 7 9.090 47.096 3.347 1.00 0.00 O ATOM 118 CG2 THR A 7 8.037 45.938 1.447 1.00 0.00 C ATOM 0 H THR A 7 6.204 46.964 3.457 1.00 0.00 H new ATOM 0 HA THR A 7 7.194 44.237 3.575 1.00 0.00 H new ATOM 0 HB THR A 7 9.381 45.113 3.014 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.813 47.365 2.743 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.837 46.310 0.807 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.719 44.956 1.097 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.193 46.627 1.411 1.00 0.00 H new ATOM 126 N LEU A 8 8.789 44.473 5.659 1.00 0.00 N ATOM 127 CA LEU A 8 9.124 44.274 7.097 1.00 0.00 C ATOM 128 C LEU A 8 9.841 45.512 7.622 1.00 0.00 C ATOM 129 O LEU A 8 10.072 45.602 8.820 1.00 0.00 O ATOM 130 CB LEU A 8 10.010 42.998 7.243 1.00 0.00 C ATOM 131 CG LEU A 8 10.109 42.443 8.713 1.00 0.00 C ATOM 132 CD1 LEU A 8 8.732 42.172 9.410 1.00 0.00 C ATOM 133 CD2 LEU A 8 10.858 41.051 8.768 1.00 0.00 C ATOM 0 H LEU A 8 9.377 43.960 5.002 1.00 0.00 H new ATOM 0 HA LEU A 8 8.217 44.131 7.685 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.609 42.216 6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.014 43.224 6.884 1.00 0.00 H new ATOM 0 HG LEU A 8 10.642 43.241 9.230 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.903 41.792 10.417 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.162 43.100 9.464 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.172 41.435 8.835 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.905 40.703 9.800 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.317 40.323 8.164 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.869 41.166 8.378 1.00 0.00 H new ATOM 145 N THR A 9 10.210 46.470 6.730 1.00 0.00 N ATOM 146 CA THR A 9 10.795 47.794 7.115 1.00 0.00 C ATOM 147 C THR A 9 9.703 48.864 7.093 1.00 0.00 C ATOM 148 O THR A 9 9.933 50.016 7.437 1.00 0.00 O ATOM 149 CB THR A 9 11.935 48.253 6.179 1.00 0.00 C ATOM 150 OG1 THR A 9 11.475 48.352 4.837 1.00 0.00 O ATOM 151 CG2 THR A 9 13.155 47.316 6.365 1.00 0.00 C ATOM 0 H THR A 9 10.112 46.351 5.722 1.00 0.00 H new ATOM 0 HA THR A 9 11.213 47.665 8.114 1.00 0.00 H new ATOM 0 HB THR A 9 12.266 49.258 6.442 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.591 47.935 4.763 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.963 47.635 5.707 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.492 47.359 7.401 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.869 46.293 6.119 1.00 0.00 H new ATOM 159 N GLY A 10 8.451 48.421 6.804 1.00 0.00 N ATOM 160 CA GLY A 10 7.283 49.234 6.866 1.00 0.00 C ATOM 161 C GLY A 10 7.145 50.180 5.665 1.00 0.00 C ATOM 162 O GLY A 10 6.590 51.243 5.823 1.00 0.00 O ATOM 0 H GLY A 10 8.259 47.461 6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.403 48.593 6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.305 49.822 7.784 1.00 0.00 H new ATOM 166 N LYS A 11 7.665 49.811 4.509 1.00 0.00 N ATOM 167 CA LYS A 11 7.384 50.476 3.243 1.00 0.00 C ATOM 168 C LYS A 11 6.197 49.782 2.523 1.00 0.00 C ATOM 169 O LYS A 11 5.956 48.600 2.691 1.00 0.00 O ATOM 170 CB LYS A 11 8.638 50.230 2.365 1.00 0.00 C ATOM 171 CG LYS A 11 8.621 51.258 1.178 1.00 0.00 C ATOM 172 CD LYS A 11 9.930 51.066 0.302 1.00 0.00 C ATOM 173 CE LYS A 11 9.971 51.825 -1.070 1.00 0.00 C ATOM 174 NZ LYS A 11 11.380 51.799 -1.616 1.00 0.00 N ATOM 0 H LYS A 11 8.308 49.025 4.418 1.00 0.00 H new ATOM 0 HA LYS A 11 7.149 51.528 3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.545 50.350 2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.639 49.209 1.983 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.733 51.108 0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.573 52.276 1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.787 51.386 0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.057 50.001 0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.286 51.357 -1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.639 52.855 -0.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.354 51.917 -2.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.931 52.573 -1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.826 50.889 -1.383 1.00 0.00 H new ATOM 188 N THR A 12 5.424 50.561 1.740 1.00 0.00 N ATOM 189 CA THR A 12 4.306 50.060 0.946 1.00 0.00 C ATOM 190 C THR A 12 4.730 50.213 -0.494 1.00 0.00 C ATOM 191 O THR A 12 5.211 51.264 -0.908 1.00 0.00 O ATOM 192 CB THR A 12 3.033 50.901 1.122 1.00 0.00 C ATOM 193 OG1 THR A 12 2.772 51.048 2.498 1.00 0.00 O ATOM 194 CG2 THR A 12 1.793 50.308 0.382 1.00 0.00 C ATOM 0 H THR A 12 5.568 51.566 1.647 1.00 0.00 H new ATOM 0 HA THR A 12 4.081 49.038 1.251 1.00 0.00 H new ATOM 0 HB THR A 12 3.211 51.873 0.663 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.497 51.970 2.682 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.929 50.951 0.548 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.001 50.248 -0.686 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.582 49.310 0.767 1.00 0.00 H new ATOM 202 N ILE A 13 4.580 49.103 -1.192 1.00 0.00 N ATOM 203 CA ILE A 13 4.862 49.021 -2.633 1.00 0.00 C ATOM 204 C ILE A 13 3.665 48.536 -3.402 1.00 0.00 C ATOM 205 O ILE A 13 3.008 47.667 -2.889 1.00 0.00 O ATOM 206 CB ILE A 13 6.081 48.161 -2.968 1.00 0.00 C ATOM 207 CG1 ILE A 13 6.184 46.928 -1.996 1.00 0.00 C ATOM 208 CG2 ILE A 13 7.296 49.153 -2.841 1.00 0.00 C ATOM 209 CD1 ILE A 13 6.997 45.745 -2.597 1.00 0.00 C ATOM 0 H ILE A 13 4.259 48.225 -0.785 1.00 0.00 H new ATOM 0 HA ILE A 13 5.097 50.040 -2.939 1.00 0.00 H new ATOM 0 HB ILE A 13 6.037 47.717 -3.963 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.651 47.246 -1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.180 46.583 -1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.222 48.624 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.169 49.976 -3.545 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.339 49.547 -1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.032 44.926 -1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.518 45.403 -3.515 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.011 46.076 -2.819 1.00 0.00 H new ATOM 221 N THR A 14 3.440 49.104 -4.619 1.00 0.00 N ATOM 222 CA THR A 14 2.261 48.789 -5.423 1.00 0.00 C ATOM 223 C THR A 14 2.690 47.899 -6.569 1.00 0.00 C ATOM 224 O THR A 14 3.647 48.204 -7.262 1.00 0.00 O ATOM 225 CB THR A 14 1.640 50.096 -5.993 1.00 0.00 C ATOM 226 OG1 THR A 14 1.606 51.034 -4.928 1.00 0.00 O ATOM 227 CG2 THR A 14 0.217 49.828 -6.434 1.00 0.00 C ATOM 0 H THR A 14 4.069 49.781 -5.051 1.00 0.00 H new ATOM 0 HA THR A 14 1.517 48.286 -4.805 1.00 0.00 H new ATOM 0 HB THR A 14 2.220 50.462 -6.840 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.820 50.864 -4.367 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.219 50.744 -6.834 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.214 49.058 -7.206 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.371 49.489 -5.581 1.00 0.00 H new ATOM 235 N LEU A 15 1.998 46.806 -6.795 1.00 0.00 N ATOM 236 CA LEU A 15 2.477 45.777 -7.729 1.00 0.00 C ATOM 237 C LEU A 15 1.371 45.422 -8.711 1.00 0.00 C ATOM 238 O LEU A 15 0.192 45.628 -8.389 1.00 0.00 O ATOM 239 CB LEU A 15 2.805 44.533 -6.861 1.00 0.00 C ATOM 240 CG LEU A 15 3.964 44.700 -5.875 1.00 0.00 C ATOM 241 CD1 LEU A 15 4.142 43.324 -5.138 1.00 0.00 C ATOM 242 CD2 LEU A 15 5.307 45.040 -6.529 1.00 0.00 C ATOM 0 H LEU A 15 1.103 46.594 -6.354 1.00 0.00 H new ATOM 0 HA LEU A 15 3.343 46.122 -8.294 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.912 44.258 -6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.034 43.699 -7.525 1.00 0.00 H new ATOM 0 HG LEU A 15 3.710 45.532 -5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.961 43.398 -4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.222 43.072 -4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.367 42.547 -5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.072 45.140 -5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.588 44.243 -7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.218 45.978 -7.076 1.00 0.00 H new ATOM 254 N GLU A 16 1.688 44.821 -9.841 1.00 0.00 N ATOM 255 CA GLU A 16 0.648 44.437 -10.837 1.00 0.00 C ATOM 256 C GLU A 16 0.830 42.968 -11.124 1.00 0.00 C ATOM 257 O GLU A 16 1.890 42.444 -11.531 1.00 0.00 O ATOM 258 CB GLU A 16 0.649 45.239 -12.182 1.00 0.00 C ATOM 259 CG GLU A 16 -0.104 46.611 -12.009 1.00 0.00 C ATOM 260 CD GLU A 16 -0.538 47.151 -13.406 1.00 0.00 C ATOM 261 OE1 GLU A 16 0.183 48.001 -13.942 1.00 0.00 O ATOM 262 OE2 GLU A 16 -1.606 46.706 -13.879 1.00 0.00 O ATOM 0 H GLU A 16 2.642 44.580 -10.111 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.316 44.678 -10.389 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.675 45.419 -12.504 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.168 44.650 -12.963 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.978 46.479 -11.371 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.545 47.334 -11.515 1.00 0.00 H new ATOM 269 N VAL A 17 -0.236 42.213 -10.810 1.00 0.00 N ATOM 270 CA VAL A 17 -0.297 40.781 -10.904 1.00 0.00 C ATOM 271 C VAL A 17 -1.751 40.404 -11.160 1.00 0.00 C ATOM 272 O VAL A 17 -2.703 41.170 -10.899 1.00 0.00 O ATOM 273 CB VAL A 17 0.226 40.037 -9.625 1.00 0.00 C ATOM 274 CG1 VAL A 17 1.797 40.178 -9.538 1.00 0.00 C ATOM 275 CG2 VAL A 17 -0.555 40.572 -8.349 1.00 0.00 C ATOM 0 H VAL A 17 -1.107 42.621 -10.471 1.00 0.00 H new ATOM 0 HA VAL A 17 0.361 40.468 -11.714 1.00 0.00 H new ATOM 0 HB VAL A 17 0.024 38.967 -9.676 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.160 39.661 -8.650 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.252 39.737 -10.425 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.065 41.233 -9.479 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.194 40.057 -7.459 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.386 41.643 -8.242 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.622 40.383 -8.470 1.00 0.00 H new ATOM 285 N GLU A 18 -1.998 39.200 -11.719 1.00 0.00 N ATOM 286 CA GLU A 18 -3.349 38.821 -12.121 1.00 0.00 C ATOM 287 C GLU A 18 -3.904 37.695 -11.215 1.00 0.00 C ATOM 288 O GLU A 18 -3.112 37.127 -10.485 1.00 0.00 O ATOM 289 CB GLU A 18 -3.252 38.265 -13.561 1.00 0.00 C ATOM 290 CG GLU A 18 -3.440 39.324 -14.706 1.00 0.00 C ATOM 291 CD GLU A 18 -4.717 40.218 -14.515 1.00 0.00 C ATOM 292 OE1 GLU A 18 -4.660 41.166 -13.687 1.00 0.00 O ATOM 293 OE2 GLU A 18 -5.737 39.917 -15.161 1.00 0.00 O ATOM 0 H GLU A 18 -1.286 38.492 -11.896 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.008 39.686 -12.047 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.278 37.790 -13.684 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.004 37.486 -13.683 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.559 39.964 -14.749 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.505 38.807 -15.663 1.00 0.00 H new ATOM 300 N PRO A 19 -5.211 37.446 -11.222 1.00 0.00 N ATOM 301 CA PRO A 19 -5.814 36.305 -10.475 1.00 0.00 C ATOM 302 C PRO A 19 -5.127 34.941 -10.581 1.00 0.00 C ATOM 303 O PRO A 19 -4.977 34.203 -9.605 1.00 0.00 O ATOM 304 CB PRO A 19 -7.286 36.298 -10.951 1.00 0.00 C ATOM 305 CG PRO A 19 -7.584 37.782 -11.157 1.00 0.00 C ATOM 306 CD PRO A 19 -6.242 38.391 -11.637 1.00 0.00 C ATOM 0 HA PRO A 19 -5.694 36.464 -9.403 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.410 35.729 -11.872 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.949 35.852 -10.209 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.372 37.929 -11.896 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.923 38.250 -10.233 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.237 38.526 -12.719 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.076 39.372 -11.193 1.00 0.00 H new ATOM 314 N SER A 20 -4.675 34.556 -11.733 1.00 0.00 N ATOM 315 CA SER A 20 -4.024 33.220 -11.877 1.00 0.00 C ATOM 316 C SER A 20 -2.545 33.264 -11.665 1.00 0.00 C ATOM 317 O SER A 20 -1.924 32.207 -11.778 1.00 0.00 O ATOM 318 CB SER A 20 -4.343 32.609 -13.255 1.00 0.00 C ATOM 319 OG SER A 20 -5.729 32.404 -13.425 1.00 0.00 O ATOM 0 H SER A 20 -4.725 35.107 -12.590 1.00 0.00 H new ATOM 0 HA SER A 20 -4.439 32.588 -11.091 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.973 33.268 -14.040 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.818 31.660 -13.363 1.00 0.00 H new ATOM 0 HG SER A 20 -5.896 32.017 -14.310 1.00 0.00 H new ATOM 325 N ASP A 21 -1.949 34.427 -11.356 1.00 0.00 N ATOM 326 CA ASP A 21 -0.497 34.459 -11.130 1.00 0.00 C ATOM 327 C ASP A 21 -0.053 33.679 -9.867 1.00 0.00 C ATOM 328 O ASP A 21 -0.617 33.844 -8.787 1.00 0.00 O ATOM 329 CB ASP A 21 0.082 35.927 -11.165 1.00 0.00 C ATOM 330 CG ASP A 21 0.138 36.458 -12.648 1.00 0.00 C ATOM 331 OD1 ASP A 21 0.104 35.605 -13.566 1.00 0.00 O ATOM 332 OD2 ASP A 21 0.248 37.692 -12.839 1.00 0.00 O ATOM 0 H ASP A 21 -2.427 35.323 -11.260 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.056 33.926 -11.972 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.541 36.585 -10.559 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.081 35.942 -10.728 1.00 0.00 H new ATOM 337 N THR A 22 1.066 32.855 -9.974 1.00 0.00 N ATOM 338 CA THR A 22 1.628 32.243 -8.767 1.00 0.00 C ATOM 339 C THR A 22 2.223 33.280 -7.850 1.00 0.00 C ATOM 340 O THR A 22 2.699 34.315 -8.331 1.00 0.00 O ATOM 341 CB THR A 22 2.673 31.166 -9.023 1.00 0.00 C ATOM 342 OG1 THR A 22 3.513 31.487 -10.109 1.00 0.00 O ATOM 343 CG2 THR A 22 1.852 29.919 -9.401 1.00 0.00 C ATOM 0 H THR A 22 1.547 32.630 -10.845 1.00 0.00 H new ATOM 0 HA THR A 22 0.774 31.755 -8.298 1.00 0.00 H new ATOM 0 HB THR A 22 3.315 31.037 -8.151 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.169 30.771 -10.238 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.526 29.087 -9.604 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.189 29.656 -8.576 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.258 30.130 -10.290 1.00 0.00 H new ATOM 351 N ILE A 23 2.224 32.962 -6.497 1.00 0.00 N ATOM 352 CA ILE A 23 2.773 33.815 -5.470 1.00 0.00 C ATOM 353 C ILE A 23 4.275 34.009 -5.681 1.00 0.00 C ATOM 354 O ILE A 23 4.779 35.073 -5.451 1.00 0.00 O ATOM 355 CB ILE A 23 2.317 33.320 -4.049 1.00 0.00 C ATOM 356 CG1 ILE A 23 0.990 34.021 -3.629 1.00 0.00 C ATOM 357 CG2 ILE A 23 3.315 33.713 -2.929 1.00 0.00 C ATOM 358 CD1 ILE A 23 -0.239 33.714 -4.490 1.00 0.00 C ATOM 0 H ILE A 23 1.832 32.093 -6.134 1.00 0.00 H new ATOM 0 HA ILE A 23 2.369 34.825 -5.540 1.00 0.00 H new ATOM 0 HB ILE A 23 2.230 32.238 -4.143 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.766 33.741 -2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.154 35.099 -3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.949 33.345 -1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.289 33.272 -3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.409 34.798 -2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.100 34.258 -4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.049 34.022 -5.518 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.443 32.644 -4.464 1.00 0.00 H new ATOM 370 N GLU A 24 4.894 33.013 -6.249 1.00 0.00 N ATOM 371 CA GLU A 24 6.319 33.045 -6.736 1.00 0.00 C ATOM 372 C GLU A 24 6.616 34.208 -7.734 1.00 0.00 C ATOM 373 O GLU A 24 7.564 34.948 -7.478 1.00 0.00 O ATOM 374 CB GLU A 24 6.673 31.686 -7.282 1.00 0.00 C ATOM 375 CG GLU A 24 8.142 31.579 -7.807 1.00 0.00 C ATOM 376 CD GLU A 24 8.192 30.244 -8.567 1.00 0.00 C ATOM 377 OE1 GLU A 24 8.498 29.255 -7.917 1.00 0.00 O ATOM 378 OE2 GLU A 24 7.897 30.276 -9.788 1.00 0.00 O ATOM 0 H GLU A 24 4.442 32.113 -6.409 1.00 0.00 H new ATOM 0 HA GLU A 24 6.969 33.267 -5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.521 30.940 -6.502 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.988 31.442 -8.094 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.390 32.415 -8.460 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.858 31.593 -6.985 1.00 0.00 H new ATOM 385 N ASN A 25 5.732 34.482 -8.716 1.00 0.00 N ATOM 386 CA ASN A 25 5.904 35.614 -9.663 1.00 0.00 C ATOM 387 C ASN A 25 5.614 36.996 -8.987 1.00 0.00 C ATOM 388 O ASN A 25 6.209 38.018 -9.371 1.00 0.00 O ATOM 389 CB ASN A 25 5.029 35.386 -10.913 1.00 0.00 C ATOM 390 CG ASN A 25 5.581 34.166 -11.638 1.00 0.00 C ATOM 391 OD1 ASN A 25 6.809 33.854 -11.648 1.00 0.00 O ATOM 392 ND2 ASN A 25 4.729 33.509 -12.424 1.00 0.00 N ATOM 0 H ASN A 25 4.887 33.934 -8.878 1.00 0.00 H new ATOM 0 HA ASN A 25 6.948 35.646 -9.974 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.989 35.226 -10.629 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.051 36.261 -11.562 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.067 32.760 -13.029 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.739 33.755 -12.421 1.00 0.00 H new ATOM 399 N VAL A 26 4.763 37.016 -7.950 1.00 0.00 N ATOM 400 CA VAL A 26 4.589 38.212 -7.105 1.00 0.00 C ATOM 401 C VAL A 26 5.813 38.574 -6.248 1.00 0.00 C ATOM 402 O VAL A 26 6.176 39.737 -6.165 1.00 0.00 O ATOM 403 CB VAL A 26 3.426 38.057 -6.107 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.046 39.461 -5.472 1.00 0.00 C ATOM 405 CG2 VAL A 26 2.149 37.466 -6.827 1.00 0.00 C ATOM 0 H VAL A 26 4.185 36.221 -7.675 1.00 0.00 H new ATOM 0 HA VAL A 26 4.404 38.997 -7.839 1.00 0.00 H new ATOM 0 HB VAL A 26 3.752 37.375 -5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.223 39.332 -4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.910 39.869 -4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.744 40.148 -6.262 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.339 37.364 -6.105 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.839 38.138 -7.628 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.387 36.488 -7.245 1.00 0.00 H new ATOM 415 N LYS A 27 6.372 37.557 -5.625 1.00 0.00 N ATOM 416 CA LYS A 27 7.682 37.702 -4.881 1.00 0.00 C ATOM 417 C LYS A 27 8.814 38.216 -5.773 1.00 0.00 C ATOM 418 O LYS A 27 9.666 39.111 -5.473 1.00 0.00 O ATOM 419 CB LYS A 27 8.120 36.266 -4.348 1.00 0.00 C ATOM 420 CG LYS A 27 7.225 35.628 -3.216 1.00 0.00 C ATOM 421 CD LYS A 27 7.556 34.120 -2.991 1.00 0.00 C ATOM 422 CE LYS A 27 8.510 34.054 -1.789 1.00 0.00 C ATOM 423 NZ LYS A 27 9.090 32.736 -1.746 1.00 0.00 N ATOM 0 H LYS A 27 5.974 36.618 -5.598 1.00 0.00 H new ATOM 0 HA LYS A 27 7.520 38.420 -4.077 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.139 35.580 -5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.141 36.339 -3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.374 36.175 -2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.173 35.733 -3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.648 33.549 -2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.020 33.689 -3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.290 34.810 -1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.972 34.263 -0.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.113 32.812 -1.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.650 32.188 -0.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.927 32.255 -2.654 1.00 0.00 H new ATOM 437 N ALA A 28 8.784 37.675 -6.943 1.00 0.00 N ATOM 438 CA ALA A 28 9.675 38.102 -8.024 1.00 0.00 C ATOM 439 C ALA A 28 9.456 39.539 -8.492 1.00 0.00 C ATOM 440 O ALA A 28 10.367 40.156 -9.027 1.00 0.00 O ATOM 441 CB ALA A 28 9.581 37.099 -9.204 1.00 0.00 C ATOM 0 H ALA A 28 8.148 36.921 -7.201 1.00 0.00 H new ATOM 0 HA ALA A 28 10.685 38.098 -7.615 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.245 37.419 -10.007 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.876 36.107 -8.863 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.556 37.066 -9.572 1.00 0.00 H new ATOM 447 N LYS A 29 8.230 40.017 -8.431 1.00 0.00 N ATOM 448 CA LYS A 29 7.858 41.377 -8.886 1.00 0.00 C ATOM 449 C LYS A 29 8.314 42.375 -7.788 1.00 0.00 C ATOM 450 O LYS A 29 8.543 43.553 -8.017 1.00 0.00 O ATOM 451 CB LYS A 29 6.313 41.467 -9.169 1.00 0.00 C ATOM 452 CG LYS A 29 5.975 41.022 -10.633 1.00 0.00 C ATOM 453 CD LYS A 29 6.466 42.181 -11.551 1.00 0.00 C ATOM 454 CE LYS A 29 5.727 42.179 -12.964 1.00 0.00 C ATOM 455 NZ LYS A 29 6.324 41.082 -13.740 1.00 0.00 N ATOM 0 H LYS A 29 7.443 39.482 -8.064 1.00 0.00 H new ATOM 0 HA LYS A 29 8.351 41.623 -9.827 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.774 40.837 -8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.971 42.490 -9.009 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.475 40.086 -10.883 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.905 40.854 -10.754 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.294 43.135 -11.053 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.541 42.091 -11.704 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.654 42.030 -12.842 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.860 43.133 -13.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.875 41.035 -14.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.344 41.251 -13.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.176 40.182 -13.240 1.00 0.00 H new ATOM 469 N ILE A 30 8.410 41.910 -6.516 1.00 0.00 N ATOM 470 CA ILE A 30 9.028 42.640 -5.416 1.00 0.00 C ATOM 471 C ILE A 30 10.528 42.578 -5.578 1.00 0.00 C ATOM 472 O ILE A 30 11.167 43.531 -5.211 1.00 0.00 O ATOM 473 CB ILE A 30 8.615 42.013 -4.041 1.00 0.00 C ATOM 474 CG1 ILE A 30 7.059 42.016 -3.903 1.00 0.00 C ATOM 475 CG2 ILE A 30 9.290 42.720 -2.815 1.00 0.00 C ATOM 476 CD1 ILE A 30 6.594 41.008 -2.782 1.00 0.00 C ATOM 0 H ILE A 30 8.048 40.998 -6.237 1.00 0.00 H new ATOM 0 HA ILE A 30 8.692 43.677 -5.433 1.00 0.00 H new ATOM 0 HB ILE A 30 8.979 40.986 -4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.713 43.021 -3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.604 41.743 -4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.963 42.239 -1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.374 42.642 -2.901 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.003 43.771 -2.798 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.507 41.027 -2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.922 40.001 -3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.032 41.299 -1.827 1.00 0.00 H new ATOM 488 N GLN A 31 11.049 41.436 -6.071 1.00 0.00 N ATOM 489 CA GLN A 31 12.483 41.395 -6.504 1.00 0.00 C ATOM 490 C GLN A 31 12.868 42.511 -7.522 1.00 0.00 C ATOM 491 O GLN A 31 13.823 43.263 -7.205 1.00 0.00 O ATOM 492 CB GLN A 31 12.975 39.911 -6.836 1.00 0.00 C ATOM 493 CG GLN A 31 14.150 39.856 -7.849 1.00 0.00 C ATOM 494 CD GLN A 31 15.369 40.733 -7.455 1.00 0.00 C ATOM 495 OE1 GLN A 31 15.954 41.400 -8.338 1.00 0.00 O ATOM 496 NE2 GLN A 31 15.834 40.730 -6.237 1.00 0.00 N ATOM 0 H GLN A 31 10.536 40.561 -6.181 1.00 0.00 H new ATOM 0 HA GLN A 31 13.089 41.674 -5.642 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.282 39.424 -5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.136 39.340 -7.234 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.478 38.822 -7.952 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.788 40.174 -8.827 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.362 40.189 -5.512 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.669 41.269 -6.009 1.00 0.00 H new ATOM 505 N ASP A 32 12.129 42.675 -8.675 1.00 0.00 N ATOM 506 CA ASP A 32 12.186 43.807 -9.659 1.00 0.00 C ATOM 507 C ASP A 32 12.103 45.212 -8.987 1.00 0.00 C ATOM 508 O ASP A 32 13.011 46.033 -9.177 1.00 0.00 O ATOM 509 CB ASP A 32 11.058 43.658 -10.769 1.00 0.00 C ATOM 510 CG ASP A 32 11.399 42.571 -11.829 1.00 0.00 C ATOM 511 OD1 ASP A 32 10.701 42.481 -12.864 1.00 0.00 O ATOM 512 OD2 ASP A 32 12.339 41.826 -11.566 1.00 0.00 O ATOM 0 H ASP A 32 11.439 41.977 -8.953 1.00 0.00 H new ATOM 0 HA ASP A 32 13.165 43.742 -10.134 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.112 43.407 -10.289 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.917 44.616 -11.269 1.00 0.00 H new ATOM 517 N LYS A 33 11.108 45.426 -8.139 1.00 0.00 N ATOM 518 CA LYS A 33 11.035 46.683 -7.384 1.00 0.00 C ATOM 519 C LYS A 33 12.120 46.913 -6.344 1.00 0.00 C ATOM 520 O LYS A 33 12.812 47.895 -6.401 1.00 0.00 O ATOM 521 CB LYS A 33 9.703 46.850 -6.584 1.00 0.00 C ATOM 522 CG LYS A 33 8.453 46.990 -7.481 1.00 0.00 C ATOM 523 CD LYS A 33 8.534 48.126 -8.464 1.00 0.00 C ATOM 524 CE LYS A 33 9.137 49.465 -7.847 1.00 0.00 C ATOM 525 NZ LYS A 33 9.496 50.377 -8.955 1.00 0.00 N ATOM 0 H LYS A 33 10.352 44.767 -7.954 1.00 0.00 H new ATOM 0 HA LYS A 33 11.141 47.398 -8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.574 45.990 -5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.781 47.730 -5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.304 46.059 -8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.577 47.132 -6.848 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.147 47.819 -9.311 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.536 48.332 -8.851 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.409 49.939 -7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.016 49.240 -7.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.892 51.257 -8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.203 49.920 -9.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.646 50.597 -9.513 1.00 0.00 H new ATOM 539 N GLU A 34 12.204 46.087 -5.338 1.00 0.00 N ATOM 540 CA GLU A 34 12.951 46.453 -4.094 1.00 0.00 C ATOM 541 C GLU A 34 14.255 45.714 -3.989 1.00 0.00 C ATOM 542 O GLU A 34 15.008 46.055 -3.079 1.00 0.00 O ATOM 543 CB GLU A 34 12.126 46.249 -2.772 1.00 0.00 C ATOM 544 CG GLU A 34 10.882 47.249 -2.575 1.00 0.00 C ATOM 545 CD GLU A 34 11.372 48.726 -2.543 1.00 0.00 C ATOM 546 OE1 GLU A 34 12.305 49.081 -1.805 1.00 0.00 O ATOM 547 OE2 GLU A 34 10.929 49.509 -3.401 1.00 0.00 O ATOM 0 H GLU A 34 11.781 45.159 -5.322 1.00 0.00 H new ATOM 0 HA GLU A 34 13.144 47.521 -4.192 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.754 45.225 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.799 46.362 -1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.167 47.114 -3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.360 47.012 -1.648 1.00 0.00 H new ATOM 554 N GLY A 35 14.589 44.736 -4.830 1.00 0.00 N ATOM 555 CA GLY A 35 15.910 44.116 -4.761 1.00 0.00 C ATOM 556 C GLY A 35 16.034 42.870 -3.793 1.00 0.00 C ATOM 557 O GLY A 35 17.151 42.431 -3.480 1.00 0.00 O ATOM 0 H GLY A 35 13.976 44.362 -5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.197 43.803 -5.765 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.629 44.871 -4.445 1.00 0.00 H new ATOM 561 N ILE A 36 14.875 42.317 -3.294 1.00 0.00 N ATOM 562 CA ILE A 36 14.897 41.236 -2.291 1.00 0.00 C ATOM 563 C ILE A 36 14.865 39.846 -2.946 1.00 0.00 C ATOM 564 O ILE A 36 13.833 39.507 -3.503 1.00 0.00 O ATOM 565 CB ILE A 36 13.681 41.320 -1.306 1.00 0.00 C ATOM 566 CG1 ILE A 36 13.492 42.804 -0.799 1.00 0.00 C ATOM 567 CG2 ILE A 36 13.897 40.232 -0.167 1.00 0.00 C ATOM 568 CD1 ILE A 36 14.514 43.285 0.289 1.00 0.00 C ATOM 0 H ILE A 36 13.939 42.609 -3.576 1.00 0.00 H new ATOM 0 HA ILE A 36 15.829 41.371 -1.742 1.00 0.00 H new ATOM 0 HB ILE A 36 12.736 41.080 -1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 36 13.560 43.473 -1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.485 42.905 -0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.063 40.269 0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.950 39.240 -0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.826 40.440 0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 36 14.293 44.316 0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.434 42.648 1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.526 43.225 -0.111 1.00 0.00 H new ATOM 580 N PRO A 37 15.911 39.026 -2.875 1.00 0.00 N ATOM 581 CA PRO A 37 15.870 37.603 -3.385 1.00 0.00 C ATOM 582 C PRO A 37 14.607 36.815 -2.918 1.00 0.00 C ATOM 583 O PRO A 37 14.291 36.904 -1.731 1.00 0.00 O ATOM 584 CB PRO A 37 17.236 36.995 -2.894 1.00 0.00 C ATOM 585 CG PRO A 37 18.131 38.184 -2.923 1.00 0.00 C ATOM 586 CD PRO A 37 17.273 39.411 -2.536 1.00 0.00 C ATOM 0 HA PRO A 37 15.772 37.546 -4.469 1.00 0.00 H new ATOM 0 HB2 PRO A 37 17.157 36.568 -1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.590 36.202 -3.552 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.960 38.059 -2.226 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.565 38.315 -3.914 1.00 0.00 H new ATOM 0 HD2 PRO A 37 17.367 39.642 -1.475 1.00 0.00 H new ATOM 0 HD3 PRO A 37 17.582 40.300 -3.085 1.00 0.00 H new ATOM 594 N PRO A 38 13.924 36.112 -3.802 1.00 0.00 N ATOM 595 CA PRO A 38 12.632 35.465 -3.398 1.00 0.00 C ATOM 596 C PRO A 38 12.688 34.435 -2.336 1.00 0.00 C ATOM 597 O PRO A 38 11.639 34.113 -1.770 1.00 0.00 O ATOM 598 CB PRO A 38 12.178 34.873 -4.702 1.00 0.00 C ATOM 599 CG PRO A 38 12.588 35.952 -5.709 1.00 0.00 C ATOM 600 CD PRO A 38 13.947 36.368 -5.262 1.00 0.00 C ATOM 0 HA PRO A 38 11.970 36.195 -2.932 1.00 0.00 H new ATOM 0 HB2 PRO A 38 12.664 33.919 -4.907 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.103 34.692 -4.714 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.605 35.562 -6.727 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.892 36.790 -5.701 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.727 35.791 -5.759 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.138 37.418 -5.482 1.00 0.00 H new ATOM 608 N ASP A 39 13.858 33.780 -2.224 1.00 0.00 N ATOM 609 CA ASP A 39 14.106 32.783 -1.214 1.00 0.00 C ATOM 610 C ASP A 39 14.270 33.362 0.186 1.00 0.00 C ATOM 611 O ASP A 39 14.225 32.592 1.144 1.00 0.00 O ATOM 612 CB ASP A 39 15.338 31.913 -1.562 1.00 0.00 C ATOM 613 CG ASP A 39 16.703 32.608 -1.464 1.00 0.00 C ATOM 614 OD1 ASP A 39 17.520 32.085 -0.730 1.00 0.00 O ATOM 615 OD2 ASP A 39 16.930 33.557 -2.196 1.00 0.00 O ATOM 0 H ASP A 39 14.651 33.942 -2.845 1.00 0.00 H new ATOM 0 HA ASP A 39 13.212 32.160 -1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 39 15.345 31.047 -0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 39 15.217 31.536 -2.578 1.00 0.00 H new ATOM 620 N GLN A 40 14.477 34.620 0.232 1.00 0.00 N ATOM 621 CA GLN A 40 14.568 35.334 1.527 1.00 0.00 C ATOM 622 C GLN A 40 13.221 35.946 1.847 1.00 0.00 C ATOM 623 O GLN A 40 13.096 36.742 2.779 1.00 0.00 O ATOM 624 CB GLN A 40 15.613 36.454 1.393 1.00 0.00 C ATOM 625 CG GLN A 40 17.014 35.911 0.956 1.00 0.00 C ATOM 626 CD GLN A 40 18.115 36.953 0.863 1.00 0.00 C ATOM 627 OE1 GLN A 40 17.909 38.083 0.283 1.00 0.00 O ATOM 628 NE2 GLN A 40 19.129 36.878 1.722 1.00 0.00 N ATOM 0 H GLN A 40 14.592 35.213 -0.590 1.00 0.00 H new ATOM 0 HA GLN A 40 14.856 34.645 2.321 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.266 37.186 0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.709 36.974 2.346 1.00 0.00 H new ATOM 0 HG2 GLN A 40 17.324 35.142 1.663 1.00 0.00 H new ATOM 0 HG3 GLN A 40 16.911 35.428 -0.016 1.00 0.00 H new ATOM 0 HE21 GLN A 40 19.326 36.000 2.203 1.00 0.00 H new ATOM 0 HE22 GLN A 40 19.709 37.698 1.899 1.00 0.00 H new ATOM 637 N GLN A 41 12.172 35.614 1.019 1.00 0.00 N ATOM 638 CA GLN A 41 10.855 36.150 1.190 1.00 0.00 C ATOM 639 C GLN A 41 9.842 35.028 1.621 1.00 0.00 C ATOM 640 O GLN A 41 10.084 33.831 1.390 1.00 0.00 O ATOM 641 CB GLN A 41 10.304 36.842 -0.034 1.00 0.00 C ATOM 642 CG GLN A 41 11.041 38.177 -0.466 1.00 0.00 C ATOM 643 CD GLN A 41 10.401 38.486 -1.787 1.00 0.00 C ATOM 644 OE1 GLN A 41 9.197 38.362 -1.923 1.00 0.00 O ATOM 645 NE2 GLN A 41 11.021 39.047 -2.783 1.00 0.00 N ATOM 0 H GLN A 41 12.258 34.969 0.233 1.00 0.00 H new ATOM 0 HA GLN A 41 10.962 36.901 1.972 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.340 36.143 -0.870 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.253 37.071 0.144 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.887 38.978 0.257 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.118 38.035 -0.560 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.031 39.185 -2.742 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.498 39.349 -3.605 1.00 0.00 H new ATOM 654 N ARG A 42 8.806 35.480 2.302 1.00 0.00 N ATOM 655 CA ARG A 42 7.637 34.637 2.638 1.00 0.00 C ATOM 656 C ARG A 42 6.469 35.604 2.619 1.00 0.00 C ATOM 657 O ARG A 42 6.501 36.630 3.283 1.00 0.00 O ATOM 658 CB ARG A 42 7.877 33.962 4.025 1.00 0.00 C ATOM 659 CG ARG A 42 6.703 33.101 4.590 1.00 0.00 C ATOM 660 CD ARG A 42 6.533 31.823 3.743 1.00 0.00 C ATOM 661 NE ARG A 42 5.392 31.104 4.249 1.00 0.00 N ATOM 662 CZ ARG A 42 4.788 30.094 3.614 1.00 0.00 C ATOM 663 NH1 ARG A 42 5.113 29.775 2.382 1.00 0.00 N ATOM 664 NH2 ARG A 42 4.036 29.267 4.232 1.00 0.00 N ATOM 0 H ARG A 42 8.735 36.438 2.645 1.00 0.00 H new ATOM 0 HA ARG A 42 7.453 33.813 1.948 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.760 33.327 3.948 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.108 34.743 4.750 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.902 32.836 5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.779 33.679 4.581 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.388 32.078 2.693 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.429 31.205 3.801 1.00 0.00 H new ATOM 0 HE ARG A 42 5.018 31.385 5.156 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.837 30.301 1.893 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.641 29.001 1.914 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.884 29.368 5.235 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.588 28.506 3.722 1.00 0.00 H new ATOM 678 N LEU A 43 5.425 35.403 1.787 1.00 0.00 N ATOM 679 CA LEU A 43 4.280 36.353 1.681 1.00 0.00 C ATOM 680 C LEU A 43 3.058 35.999 2.557 1.00 0.00 C ATOM 681 O LEU A 43 2.766 34.822 2.810 1.00 0.00 O ATOM 682 CB LEU A 43 3.875 36.438 0.151 1.00 0.00 C ATOM 683 CG LEU A 43 4.592 37.575 -0.643 1.00 0.00 C ATOM 684 CD1 LEU A 43 4.250 37.484 -2.199 1.00 0.00 C ATOM 685 CD2 LEU A 43 4.176 38.976 -0.189 1.00 0.00 C ATOM 0 H LEU A 43 5.345 34.591 1.175 1.00 0.00 H new ATOM 0 HA LEU A 43 4.611 37.316 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.097 35.483 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.797 36.586 0.080 1.00 0.00 H new ATOM 0 HG LEU A 43 5.655 37.429 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.761 38.286 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.581 36.521 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.174 37.582 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.708 39.723 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.102 39.100 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.420 39.104 0.865 1.00 0.00 H new ATOM 697 N ILE A 44 2.277 37.029 3.045 1.00 0.00 N ATOM 698 CA ILE A 44 1.182 36.811 3.977 1.00 0.00 C ATOM 699 C ILE A 44 -0.049 37.612 3.485 1.00 0.00 C ATOM 700 O ILE A 44 0.090 38.738 2.973 1.00 0.00 O ATOM 701 CB ILE A 44 1.687 37.280 5.375 1.00 0.00 C ATOM 702 CG1 ILE A 44 2.944 36.432 5.831 1.00 0.00 C ATOM 703 CG2 ILE A 44 0.537 37.060 6.441 1.00 0.00 C ATOM 704 CD1 ILE A 44 3.576 36.962 7.171 1.00 0.00 C ATOM 0 H ILE A 44 2.412 38.007 2.788 1.00 0.00 H new ATOM 0 HA ILE A 44 0.878 35.766 4.043 1.00 0.00 H new ATOM 0 HB ILE A 44 1.964 38.332 5.306 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.648 35.391 5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.698 36.454 5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.883 37.386 7.422 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.340 37.640 6.155 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.276 36.003 6.481 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.434 36.345 7.438 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.899 37.994 7.038 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.833 36.914 7.967 1.00 0.00 H new ATOM 716 N PHE A 45 -1.260 37.070 3.664 1.00 0.00 N ATOM 717 CA PHE A 45 -2.438 37.872 3.513 1.00 0.00 C ATOM 718 C PHE A 45 -3.454 37.301 4.491 1.00 0.00 C ATOM 719 O PHE A 45 -3.402 36.092 4.629 1.00 0.00 O ATOM 720 CB PHE A 45 -2.861 37.789 2.001 1.00 0.00 C ATOM 721 CG PHE A 45 -4.153 38.504 1.789 1.00 0.00 C ATOM 722 CD1 PHE A 45 -4.054 39.862 1.858 1.00 0.00 C ATOM 723 CD2 PHE A 45 -5.454 37.933 1.602 1.00 0.00 C ATOM 724 CE1 PHE A 45 -5.177 40.669 1.817 1.00 0.00 C ATOM 725 CE2 PHE A 45 -6.590 38.767 1.503 1.00 0.00 C ATOM 726 CZ PHE A 45 -6.439 40.130 1.557 1.00 0.00 C ATOM 0 H PHE A 45 -1.429 36.094 3.909 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.315 38.931 3.742 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.086 38.229 1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.960 36.746 1.700 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.079 40.317 1.947 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.566 36.861 1.536 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.076 41.731 1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.572 38.334 1.385 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.288 40.779 1.400 1.00 0.00 H new ATOM 736 N ALA A 46 -4.286 38.174 5.081 1.00 0.00 N ATOM 737 CA ALA A 46 -5.377 37.764 6.007 1.00 0.00 C ATOM 738 C ALA A 46 -4.861 37.085 7.250 1.00 0.00 C ATOM 739 O ALA A 46 -5.511 36.234 7.791 1.00 0.00 O ATOM 740 CB ALA A 46 -6.372 36.868 5.241 1.00 0.00 C ATOM 0 H ALA A 46 -4.230 39.182 4.936 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.888 38.661 6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.176 36.562 5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.791 37.424 4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.854 35.984 4.869 1.00 0.00 H new ATOM 746 N GLY A 47 -3.689 37.459 7.676 1.00 0.00 N ATOM 747 CA GLY A 47 -2.979 36.835 8.800 1.00 0.00 C ATOM 748 C GLY A 47 -2.364 35.468 8.571 1.00 0.00 C ATOM 749 O GLY A 47 -1.935 34.860 9.557 1.00 0.00 O ATOM 0 H GLY A 47 -3.170 38.227 7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.185 37.512 9.113 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.676 36.754 9.634 1.00 0.00 H new ATOM 753 N LYS A 48 -2.273 35.026 7.328 1.00 0.00 N ATOM 754 CA LYS A 48 -1.976 33.623 7.024 1.00 0.00 C ATOM 755 C LYS A 48 -1.004 33.576 5.903 1.00 0.00 C ATOM 756 O LYS A 48 -1.071 34.426 5.055 1.00 0.00 O ATOM 757 CB LYS A 48 -3.277 32.875 6.592 1.00 0.00 C ATOM 758 CG LYS A 48 -4.334 32.809 7.696 1.00 0.00 C ATOM 759 CD LYS A 48 -3.780 31.828 8.784 1.00 0.00 C ATOM 760 CE LYS A 48 -4.761 31.781 9.962 1.00 0.00 C ATOM 761 NZ LYS A 48 -4.222 30.890 11.073 1.00 0.00 N ATOM 0 H LYS A 48 -2.400 35.616 6.505 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.566 33.142 7.912 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.702 33.374 5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.020 31.861 6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.514 33.797 8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.286 32.453 7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.651 30.831 8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.799 32.159 9.124 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.927 32.788 10.344 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.727 31.405 9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.899 30.870 11.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.086 29.925 10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.312 31.265 11.408 1.00 0.00 H new ATOM 775 N GLN A 49 -0.150 32.588 5.971 1.00 0.00 N ATOM 776 CA GLN A 49 0.983 32.509 5.087 1.00 0.00 C ATOM 777 C GLN A 49 0.590 31.796 3.817 1.00 0.00 C ATOM 778 O GLN A 49 -0.257 30.935 3.871 1.00 0.00 O ATOM 779 CB GLN A 49 2.093 31.801 5.871 1.00 0.00 C ATOM 780 CG GLN A 49 2.524 32.672 7.119 1.00 0.00 C ATOM 781 CD GLN A 49 4.056 32.738 7.248 1.00 0.00 C ATOM 782 OE1 GLN A 49 4.762 31.774 6.839 1.00 0.00 O ATOM 783 NE2 GLN A 49 4.679 33.543 8.152 1.00 0.00 N ATOM 0 H GLN A 49 -0.220 31.819 6.637 1.00 0.00 H new ATOM 0 HA GLN A 49 1.343 33.488 4.771 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.746 30.823 6.204 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.953 31.630 5.223 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.121 33.680 7.019 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.098 32.247 8.028 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.189 34.349 8.540 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.636 33.340 8.441 1.00 0.00 H new ATOM 792 N LEU A 50 1.133 32.270 2.681 1.00 0.00 N ATOM 793 CA LEU A 50 0.753 31.837 1.341 1.00 0.00 C ATOM 794 C LEU A 50 1.953 31.081 0.699 1.00 0.00 C ATOM 795 O LEU A 50 3.026 31.618 0.590 1.00 0.00 O ATOM 796 CB LEU A 50 0.506 33.090 0.409 1.00 0.00 C ATOM 797 CG LEU A 50 -0.210 34.300 1.057 1.00 0.00 C ATOM 798 CD1 LEU A 50 -0.413 35.416 -0.036 1.00 0.00 C ATOM 799 CD2 LEU A 50 -1.615 33.893 1.538 1.00 0.00 C ATOM 0 H LEU A 50 1.864 32.981 2.679 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.141 31.220 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.470 33.427 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.081 32.766 -0.450 1.00 0.00 H new ATOM 0 HG LEU A 50 0.395 34.652 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.917 36.274 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.557 35.726 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.020 35.021 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.108 34.753 1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.203 33.544 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.530 33.094 2.274 1.00 0.00 H new ATOM 811 N GLU A 51 1.701 29.834 0.252 1.00 0.00 N ATOM 812 CA GLU A 51 2.630 29.026 -0.582 1.00 0.00 C ATOM 813 C GLU A 51 2.875 29.546 -2.003 1.00 0.00 C ATOM 814 O GLU A 51 1.978 30.041 -2.670 1.00 0.00 O ATOM 815 CB GLU A 51 2.289 27.455 -0.691 1.00 0.00 C ATOM 816 CG GLU A 51 2.021 26.813 0.686 1.00 0.00 C ATOM 817 CD GLU A 51 2.957 27.369 1.790 1.00 0.00 C ATOM 818 OE1 GLU A 51 4.152 27.476 1.569 1.00 0.00 O ATOM 819 OE2 GLU A 51 2.419 27.682 2.843 1.00 0.00 O ATOM 0 H GLU A 51 0.830 29.346 0.462 1.00 0.00 H new ATOM 0 HA GLU A 51 3.542 29.151 0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.415 27.319 -1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.119 26.939 -1.174 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.984 26.989 0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.152 25.733 0.612 1.00 0.00 H new ATOM 826 N ASP A 52 4.184 29.419 -2.380 1.00 0.00 N ATOM 827 CA ASP A 52 4.824 30.037 -3.555 1.00 0.00 C ATOM 828 C ASP A 52 4.217 29.605 -4.880 1.00 0.00 C ATOM 829 O ASP A 52 3.984 30.412 -5.767 1.00 0.00 O ATOM 830 CB ASP A 52 6.345 29.590 -3.520 1.00 0.00 C ATOM 831 CG ASP A 52 7.134 30.308 -2.392 1.00 0.00 C ATOM 832 OD1 ASP A 52 8.290 29.901 -2.142 1.00 0.00 O ATOM 833 OD2 ASP A 52 6.601 31.266 -1.817 1.00 0.00 O ATOM 0 H ASP A 52 4.840 28.855 -1.840 1.00 0.00 H new ATOM 0 HA ASP A 52 4.686 31.117 -3.498 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.403 28.511 -3.374 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.809 29.807 -4.482 1.00 0.00 H new ATOM 838 N GLY A 53 3.914 28.324 -4.992 1.00 0.00 N ATOM 839 CA GLY A 53 3.335 27.774 -6.204 1.00 0.00 C ATOM 840 C GLY A 53 1.806 27.993 -6.261 1.00 0.00 C ATOM 841 O GLY A 53 1.211 27.312 -7.106 1.00 0.00 O ATOM 0 H GLY A 53 4.061 27.640 -4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.801 28.239 -7.073 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.552 26.707 -6.258 1.00 0.00 H new ATOM 845 N ARG A 54 1.131 28.804 -5.379 1.00 0.00 N ATOM 846 CA ARG A 54 -0.315 28.908 -5.402 1.00 0.00 C ATOM 847 C ARG A 54 -0.603 30.339 -5.848 1.00 0.00 C ATOM 848 O ARG A 54 0.341 31.145 -5.952 1.00 0.00 O ATOM 849 CB ARG A 54 -0.945 28.584 -4.024 1.00 0.00 C ATOM 850 CG ARG A 54 -0.800 27.085 -3.609 1.00 0.00 C ATOM 851 CD ARG A 54 -1.198 26.014 -4.704 1.00 0.00 C ATOM 852 NE ARG A 54 -2.508 26.282 -5.394 1.00 0.00 N ATOM 853 CZ ARG A 54 -2.736 25.700 -6.568 1.00 0.00 C ATOM 854 NH1 ARG A 54 -2.319 24.543 -6.908 1.00 0.00 N ATOM 855 NH2 ARG A 54 -3.575 26.276 -7.327 1.00 0.00 N ATOM 0 H ARG A 54 1.585 29.374 -4.666 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.760 28.181 -6.081 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.478 29.210 -3.264 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.003 28.846 -4.047 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.236 26.909 -3.318 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.413 26.914 -2.724 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.409 25.971 -5.455 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.244 25.032 -4.233 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.205 26.896 -4.971 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.764 23.989 -6.256 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.541 24.172 -7.832 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.031 27.136 -7.023 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.793 25.879 -8.241 1.00 0.00 H new ATOM 869 N THR A 55 -1.881 30.610 -6.161 1.00 0.00 N ATOM 870 CA THR A 55 -2.194 31.758 -6.960 1.00 0.00 C ATOM 871 C THR A 55 -3.087 32.739 -6.168 1.00 0.00 C ATOM 872 O THR A 55 -3.713 32.433 -5.166 1.00 0.00 O ATOM 873 CB THR A 55 -2.913 31.436 -8.248 1.00 0.00 C ATOM 874 OG1 THR A 55 -4.097 30.690 -8.034 1.00 0.00 O ATOM 875 CG2 THR A 55 -2.052 30.591 -9.196 1.00 0.00 C ATOM 0 H THR A 55 -2.683 30.051 -5.870 1.00 0.00 H new ATOM 0 HA THR A 55 -1.228 32.196 -7.211 1.00 0.00 H new ATOM 0 HB THR A 55 -3.139 32.409 -8.683 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.866 29.799 -7.697 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.611 30.385 -10.109 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.141 31.136 -9.444 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.791 29.651 -8.710 1.00 0.00 H new ATOM 883 N LEU A 56 -3.269 33.967 -6.697 1.00 0.00 N ATOM 884 CA LEU A 56 -4.224 34.993 -6.196 1.00 0.00 C ATOM 885 C LEU A 56 -5.716 34.560 -6.233 1.00 0.00 C ATOM 886 O LEU A 56 -6.433 34.830 -5.263 1.00 0.00 O ATOM 887 CB LEU A 56 -4.067 36.340 -6.942 1.00 0.00 C ATOM 888 CG LEU A 56 -2.837 37.069 -6.364 1.00 0.00 C ATOM 889 CD1 LEU A 56 -1.531 36.648 -7.059 1.00 0.00 C ATOM 890 CD2 LEU A 56 -3.075 38.585 -6.786 1.00 0.00 C ATOM 0 H LEU A 56 -2.742 34.287 -7.510 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.954 35.115 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.941 36.170 -8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.963 36.949 -6.820 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.741 36.868 -5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.693 37.188 -6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.380 35.576 -6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.593 36.881 -8.122 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.250 39.198 -6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.128 38.656 -7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.010 38.941 -6.353 1.00 0.00 H new ATOM 902 N SER A 57 -6.065 33.786 -7.297 1.00 0.00 N ATOM 903 CA SER A 57 -7.293 32.913 -7.392 1.00 0.00 C ATOM 904 C SER A 57 -7.450 31.888 -6.262 1.00 0.00 C ATOM 905 O SER A 57 -8.551 31.804 -5.723 1.00 0.00 O ATOM 906 CB SER A 57 -7.470 32.333 -8.829 1.00 0.00 C ATOM 907 OG SER A 57 -8.625 31.456 -8.914 1.00 0.00 O ATOM 0 H SER A 57 -5.492 33.743 -8.140 1.00 0.00 H new ATOM 0 HA SER A 57 -8.144 33.571 -7.219 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.581 33.151 -9.541 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.573 31.783 -9.113 1.00 0.00 H new ATOM 0 HG SER A 57 -8.707 31.111 -9.828 1.00 0.00 H new ATOM 913 N ASP A 58 -6.439 31.127 -5.873 1.00 0.00 N ATOM 914 CA ASP A 58 -6.563 30.147 -4.723 1.00 0.00 C ATOM 915 C ASP A 58 -6.960 30.835 -3.418 1.00 0.00 C ATOM 916 O ASP A 58 -7.788 30.395 -2.581 1.00 0.00 O ATOM 917 CB ASP A 58 -5.231 29.422 -4.507 1.00 0.00 C ATOM 918 CG ASP A 58 -5.027 28.649 -5.835 1.00 0.00 C ATOM 919 OD1 ASP A 58 -3.908 28.752 -6.291 1.00 0.00 O ATOM 920 OD2 ASP A 58 -5.972 27.949 -6.328 1.00 0.00 O ATOM 0 H ASP A 58 -5.518 31.143 -6.310 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.348 29.440 -4.992 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.417 30.123 -4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.274 28.748 -3.652 1.00 0.00 H new ATOM 925 N TYR A 59 -6.292 31.965 -3.230 1.00 0.00 N ATOM 926 CA TYR A 59 -6.413 32.672 -2.016 1.00 0.00 C ATOM 927 C TYR A 59 -7.508 33.739 -2.040 1.00 0.00 C ATOM 928 O TYR A 59 -7.686 34.418 -1.049 1.00 0.00 O ATOM 929 CB TYR A 59 -5.017 33.221 -1.620 1.00 0.00 C ATOM 930 CG TYR A 59 -3.960 32.143 -1.341 1.00 0.00 C ATOM 931 CD1 TYR A 59 -2.688 32.122 -2.011 1.00 0.00 C ATOM 932 CD2 TYR A 59 -4.266 31.060 -0.514 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.662 31.214 -1.651 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.287 30.151 -0.184 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.995 30.159 -0.774 1.00 0.00 C ATOM 936 OH TYR A 59 -1.045 29.289 -0.310 1.00 0.00 O ATOM 0 H TYR A 59 -5.669 32.390 -3.916 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.750 31.985 -1.240 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.655 33.867 -2.420 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.125 33.843 -0.732 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.509 32.821 -2.815 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.269 30.936 -0.134 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.659 31.325 -2.035 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.511 29.398 0.557 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.465 28.632 0.283 1.00 0.00 H new ATOM 946 N ASN A 60 -8.243 33.860 -3.159 1.00 0.00 N ATOM 947 CA ASN A 60 -9.302 34.789 -3.411 1.00 0.00 C ATOM 948 C ASN A 60 -9.058 36.240 -3.014 1.00 0.00 C ATOM 949 O ASN A 60 -9.838 36.901 -2.351 1.00 0.00 O ATOM 950 CB ASN A 60 -10.578 34.124 -2.847 1.00 0.00 C ATOM 951 CG ASN A 60 -11.841 34.942 -3.100 1.00 0.00 C ATOM 952 OD1 ASN A 60 -12.201 35.335 -4.239 1.00 0.00 O ATOM 953 ND2 ASN A 60 -12.745 34.969 -2.150 1.00 0.00 N ATOM 0 H ASN A 60 -8.080 33.251 -3.961 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.402 34.959 -4.483 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.695 33.138 -3.296 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.458 33.974 -1.774 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.689 35.298 -2.353 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.504 34.661 -1.208 1.00 0.00 H new ATOM 960 N ILE A 61 -7.905 36.692 -3.436 1.00 0.00 N ATOM 961 CA ILE A 61 -7.474 38.077 -3.283 1.00 0.00 C ATOM 962 C ILE A 61 -8.197 38.989 -4.339 1.00 0.00 C ATOM 963 O ILE A 61 -8.346 38.627 -5.511 1.00 0.00 O ATOM 964 CB ILE A 61 -5.885 38.167 -3.358 1.00 0.00 C ATOM 965 CG1 ILE A 61 -5.240 37.322 -2.184 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.477 39.646 -3.091 1.00 0.00 C ATOM 967 CD1 ILE A 61 -3.648 37.414 -2.021 1.00 0.00 C ATOM 0 H ILE A 61 -7.218 36.103 -3.907 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.762 38.450 -2.300 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.553 37.803 -4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.697 37.638 -1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.507 36.276 -2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.392 39.738 -3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.927 40.290 -3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.826 39.947 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.331 36.792 -1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.168 37.065 -2.935 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.361 38.448 -1.833 1.00 0.00 H new ATOM 979 N GLN A 62 -8.498 40.222 -3.913 1.00 0.00 N ATOM 980 CA GLN A 62 -9.226 41.223 -4.708 1.00 0.00 C ATOM 981 C GLN A 62 -8.286 42.356 -5.166 1.00 0.00 C ATOM 982 O GLN A 62 -7.157 42.475 -4.659 1.00 0.00 O ATOM 983 CB GLN A 62 -10.381 41.862 -3.875 1.00 0.00 C ATOM 984 CG GLN A 62 -11.378 40.791 -3.368 1.00 0.00 C ATOM 985 CD GLN A 62 -11.894 39.805 -4.419 1.00 0.00 C ATOM 986 OE1 GLN A 62 -12.466 40.182 -5.420 1.00 0.00 O ATOM 987 NE2 GLN A 62 -11.616 38.536 -4.212 1.00 0.00 N ATOM 0 H GLN A 62 -8.237 40.560 -2.987 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.633 40.705 -5.576 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.962 42.401 -3.025 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.911 42.592 -4.487 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.897 40.224 -2.571 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.234 41.300 -2.925 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.134 38.252 -3.359 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.883 37.836 -4.904 1.00 0.00 H new ATOM 996 N LYS A 63 -8.802 43.258 -6.056 1.00 0.00 N ATOM 997 CA LYS A 63 -8.061 44.470 -6.373 1.00 0.00 C ATOM 998 C LYS A 63 -7.817 45.372 -5.151 1.00 0.00 C ATOM 999 O LYS A 63 -8.706 45.591 -4.355 1.00 0.00 O ATOM 1000 CB LYS A 63 -8.828 45.169 -7.533 1.00 0.00 C ATOM 1001 CG LYS A 63 -8.342 46.625 -7.836 1.00 0.00 C ATOM 1002 CD LYS A 63 -9.242 47.220 -8.969 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.098 48.771 -9.146 1.00 0.00 C ATOM 1004 NZ LYS A 63 -9.470 49.493 -7.865 1.00 0.00 N ATOM 0 H LYS A 63 -9.695 43.156 -6.538 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.048 44.226 -6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.725 44.568 -8.436 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.890 45.196 -7.288 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.405 47.240 -6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.297 46.619 -8.145 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.993 46.732 -9.911 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.284 46.984 -8.753 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.073 49.017 -9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.739 49.110 -9.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.796 50.455 -8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.231 48.974 -7.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.639 49.546 -7.242 1.00 0.00 H new ATOM 1018 N GLU A 64 -6.582 45.919 -5.127 1.00 0.00 N ATOM 1019 CA GLU A 64 -5.997 46.798 -4.085 1.00 0.00 C ATOM 1020 C GLU A 64 -5.983 46.214 -2.653 1.00 0.00 C ATOM 1021 O GLU A 64 -6.002 46.953 -1.646 1.00 0.00 O ATOM 1022 CB GLU A 64 -6.624 48.233 -4.172 1.00 0.00 C ATOM 1023 CG GLU A 64 -6.071 48.960 -5.364 1.00 0.00 C ATOM 1024 CD GLU A 64 -6.898 50.234 -5.623 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -7.168 50.996 -4.713 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -7.179 50.379 -6.799 1.00 0.00 O ATOM 0 H GLU A 64 -5.921 45.748 -5.885 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.934 46.873 -4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.709 48.161 -4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.406 48.791 -3.261 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.027 49.221 -5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.097 48.313 -6.241 1.00 0.00 H new ATOM 1033 N SER A 65 -5.881 44.858 -2.534 1.00 0.00 N ATOM 1034 CA SER A 65 -5.648 44.214 -1.233 1.00 0.00 C ATOM 1035 C SER A 65 -4.258 44.547 -0.673 1.00 0.00 C ATOM 1036 O SER A 65 -3.358 44.830 -1.429 1.00 0.00 O ATOM 1037 CB SER A 65 -5.756 42.675 -1.263 1.00 0.00 C ATOM 1038 OG SER A 65 -7.135 42.340 -1.620 1.00 0.00 O ATOM 0 H SER A 65 -5.957 44.210 -3.318 1.00 0.00 H new ATOM 0 HA SER A 65 -6.441 44.615 -0.601 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.059 42.255 -1.988 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.498 42.253 -0.292 1.00 0.00 H new ATOM 0 HG SER A 65 -7.235 42.361 -2.595 1.00 0.00 H new ATOM 1044 N THR A 66 -4.079 44.424 0.648 1.00 0.00 N ATOM 1045 CA THR A 66 -2.766 44.617 1.290 1.00 0.00 C ATOM 1046 C THR A 66 -2.245 43.296 1.876 1.00 0.00 C ATOM 1047 O THR A 66 -2.703 42.792 2.917 1.00 0.00 O ATOM 1048 CB THR A 66 -2.806 45.659 2.385 1.00 0.00 C ATOM 1049 OG1 THR A 66 -3.372 46.839 1.819 1.00 0.00 O ATOM 1050 CG2 THR A 66 -1.393 45.972 2.936 1.00 0.00 C ATOM 0 H THR A 66 -4.829 44.191 1.299 1.00 0.00 H new ATOM 0 HA THR A 66 -2.092 44.969 0.509 1.00 0.00 H new ATOM 0 HB THR A 66 -3.398 45.287 3.221 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.417 47.540 2.502 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.467 46.725 3.720 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.953 45.063 3.346 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.763 46.348 2.130 1.00 0.00 H new ATOM 1058 N LEU A 67 -1.237 42.894 1.142 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.300 41.790 1.455 1.00 0.00 C ATOM 1060 C LEU A 67 0.865 42.298 2.351 1.00 0.00 C ATOM 1061 O LEU A 67 1.203 43.462 2.368 1.00 0.00 O ATOM 1062 CB LEU A 67 0.218 41.243 0.060 1.00 0.00 C ATOM 1063 CG LEU A 67 -0.838 40.365 -0.630 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -2.014 41.184 -1.260 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -0.149 39.390 -1.619 1.00 0.00 C ATOM 0 H LEU A 67 -1.017 43.341 0.252 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.786 40.994 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.475 42.081 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.130 40.666 0.211 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.330 39.763 0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.722 40.501 -1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.521 41.752 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.619 41.870 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.903 38.771 -2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.393 39.960 -2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.548 38.753 -1.075 1.00 0.00 H new ATOM 1077 N HIS A 68 1.343 41.398 3.171 1.00 0.00 N ATOM 1078 CA HIS A 68 2.361 41.699 4.164 1.00 0.00 C ATOM 1079 C HIS A 68 3.499 40.785 3.718 1.00 0.00 C ATOM 1080 O HIS A 68 3.336 39.570 3.599 1.00 0.00 O ATOM 1081 CB HIS A 68 1.905 41.451 5.600 1.00 0.00 C ATOM 1082 CG HIS A 68 1.136 42.641 6.115 1.00 0.00 C ATOM 1083 ND1 HIS A 68 1.828 43.592 6.832 1.00 0.00 N ATOM 1084 CD2 HIS A 68 -0.175 43.103 6.052 1.00 0.00 C ATOM 1085 CE1 HIS A 68 0.909 44.547 7.218 1.00 0.00 C ATOM 1086 NE2 HIS A 68 -0.315 44.265 6.754 1.00 0.00 N ATOM 0 H HIS A 68 1.039 40.424 3.174 1.00 0.00 H new ATOM 0 HA HIS A 68 2.637 42.753 4.202 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.280 40.559 5.642 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.770 41.264 6.237 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.974 42.609 5.519 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.147 45.412 7.819 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.170 44.804 6.895 1.00 0.00 H new ATOM 1094 N LEU A 69 4.651 41.341 3.630 1.00 0.00 N ATOM 1095 CA LEU A 69 5.910 40.534 3.423 1.00 0.00 C ATOM 1096 C LEU A 69 6.722 40.414 4.732 1.00 0.00 C ATOM 1097 O LEU A 69 7.092 41.401 5.370 1.00 0.00 O ATOM 1098 CB LEU A 69 6.671 41.250 2.275 1.00 0.00 C ATOM 1099 CG LEU A 69 8.138 40.814 2.126 1.00 0.00 C ATOM 1100 CD1 LEU A 69 8.259 39.336 1.612 1.00 0.00 C ATOM 1101 CD2 LEU A 69 8.877 41.834 1.207 1.00 0.00 C ATOM 0 H LEU A 69 4.802 42.348 3.692 1.00 0.00 H new ATOM 0 HA LEU A 69 5.705 39.500 3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.150 41.062 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.639 42.326 2.448 1.00 0.00 H new ATOM 0 HG LEU A 69 8.619 40.819 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.311 39.068 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.773 38.664 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.776 39.249 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.919 41.534 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.398 41.855 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.832 42.827 1.655 1.00 0.00 H new ATOM 1113 N VAL A 70 7.084 39.154 5.110 1.00 0.00 N ATOM 1114 CA VAL A 70 7.960 38.807 6.185 1.00 0.00 C ATOM 1115 C VAL A 70 9.222 38.112 5.576 1.00 0.00 C ATOM 1116 O VAL A 70 9.129 37.351 4.594 1.00 0.00 O ATOM 1117 CB VAL A 70 7.222 37.799 7.088 1.00 0.00 C ATOM 1118 CG1 VAL A 70 8.071 36.833 7.968 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.352 38.654 8.065 1.00 0.00 C ATOM 0 H VAL A 70 6.732 38.331 4.621 1.00 0.00 H new ATOM 0 HA VAL A 70 8.253 39.687 6.757 1.00 0.00 H new ATOM 0 HB VAL A 70 6.692 37.139 6.402 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.408 36.188 8.544 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.706 36.221 7.328 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.694 37.413 8.649 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.801 37.993 8.735 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.998 39.308 8.651 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.649 39.258 7.492 1.00 0.00 H new