USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 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 22 THR OG1 : rot -48:sc= -0.0347 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.22 K(o=1.2,f=-5.8!) USER MOD Set 2.1: A 7 THR OG1 : rot -71:sc= 1.23 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 155:sc= -3.93! (180deg=-4.98!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -3.32! C(o=-3.3!,f=-2.3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -104:sc= 0.356 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0559 USER MOD Single : A 27 LYS NZ :NH3+ -135:sc= -0.337 (180deg=-1.56) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : A 41 GLN : amide:sc= -5.85! C(o=-5.8!,f=-14!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0069 X(o=-0.0069,f=0) USER MOD Single : A 55 THR OG1 : rot -97:sc= -2.54! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= -0.123 USER MOD Single : A 60 ASN : amide:sc= -2.19! C(o=-2.2!,f=-3.3!) USER MOD Single : A 62 GLN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 69:sc= 0.598 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.73 K(o=-0.73,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.152 -20.695 -2.466 1.00 0.00 N ATOM 2 CA MET A 1 2.836 -19.580 -3.397 1.00 0.00 C ATOM 3 C MET A 1 3.561 -18.300 -2.990 1.00 0.00 C ATOM 4 O MET A 1 3.227 -17.681 -1.980 1.00 0.00 O ATOM 5 CB MET A 1 1.322 -19.356 -3.390 1.00 0.00 C ATOM 6 CG MET A 1 0.910 -17.972 -3.863 1.00 0.00 C ATOM 7 SD MET A 1 -0.861 -17.845 -4.177 1.00 0.00 S ATOM 8 CE MET A 1 -0.926 -16.330 -5.131 1.00 0.00 C ATOM 0 H1 MET A 1 2.646 -21.552 -2.767 1.00 0.00 H new ATOM 0 H2 MET A 1 4.176 -20.876 -2.476 1.00 0.00 H new ATOM 0 H3 MET A 1 2.856 -20.438 -1.503 1.00 0.00 H new ATOM 0 HA MET A 1 3.173 -19.842 -4.400 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.849 -20.104 -4.027 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.945 -19.513 -2.380 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.196 -17.235 -3.112 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.455 -17.726 -4.774 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.815 -16.335 -5.761 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.965 -15.476 -4.455 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.038 -16.257 -5.758 1.00 0.00 H new ATOM 20 N GLN A 2 4.554 -17.912 -3.783 1.00 0.00 N ATOM 21 CA GLN A 2 5.327 -16.706 -3.503 1.00 0.00 C ATOM 22 C GLN A 2 4.850 -15.542 -4.364 1.00 0.00 C ATOM 23 O GLN A 2 4.335 -15.739 -5.465 1.00 0.00 O ATOM 24 CB GLN A 2 6.815 -16.962 -3.750 1.00 0.00 C ATOM 25 CG GLN A 2 7.663 -15.701 -3.715 1.00 0.00 C ATOM 26 CD GLN A 2 9.060 -15.951 -3.182 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.051 -15.726 -3.876 1.00 0.00 O ATOM 28 NE2 GLN A 2 9.145 -16.421 -1.942 1.00 0.00 N ATOM 0 H GLN A 2 4.843 -18.413 -4.623 1.00 0.00 H new ATOM 0 HA GLN A 2 5.179 -16.444 -2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.185 -17.660 -2.998 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.936 -17.445 -4.720 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.731 -15.286 -4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.170 -14.953 -3.094 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.297 -16.593 -1.403 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.059 -16.610 -1.530 1.00 0.00 H new ATOM 37 N LEU A 3 5.025 -14.327 -3.855 1.00 0.00 N ATOM 38 CA LEU A 3 4.612 -13.128 -4.576 1.00 0.00 C ATOM 39 C LEU A 3 5.635 -12.010 -4.401 1.00 0.00 C ATOM 40 O LEU A 3 6.258 -11.884 -3.346 1.00 0.00 O ATOM 41 CB LEU A 3 3.240 -12.660 -4.089 1.00 0.00 C ATOM 42 CG LEU A 3 2.206 -13.771 -3.902 1.00 0.00 C ATOM 43 CD1 LEU A 3 1.224 -13.407 -2.799 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.469 -14.034 -5.207 1.00 0.00 C ATOM 0 H LEU A 3 5.450 -14.146 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 3 4.547 -13.376 -5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.367 -12.139 -3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.847 -11.935 -4.801 1.00 0.00 H new ATOM 0 HG LEU A 3 2.727 -14.682 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.496 -14.210 -2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.764 -13.266 -1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.707 -12.484 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.737 -14.827 -5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.959 -13.125 -5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.182 -14.338 -5.973 1.00 0.00 H new ATOM 56 N PHE A 4 5.803 -11.200 -5.441 1.00 0.00 N ATOM 57 CA PHE A 4 6.750 -10.091 -5.402 1.00 0.00 C ATOM 58 C PHE A 4 6.025 -8.753 -5.486 1.00 0.00 C ATOM 59 O PHE A 4 5.206 -8.536 -6.379 1.00 0.00 O ATOM 60 CB PHE A 4 7.758 -10.213 -6.546 1.00 0.00 C ATOM 61 CG PHE A 4 8.690 -11.382 -6.404 1.00 0.00 C ATOM 62 CD1 PHE A 4 8.241 -12.677 -6.629 1.00 0.00 C ATOM 63 CD2 PHE A 4 10.018 -11.186 -6.041 1.00 0.00 C ATOM 64 CE1 PHE A 4 9.099 -13.758 -6.498 1.00 0.00 C ATOM 65 CE2 PHE A 4 10.882 -12.262 -5.908 1.00 0.00 C ATOM 66 CZ PHE A 4 10.422 -13.550 -6.137 1.00 0.00 C ATOM 0 H PHE A 4 5.296 -11.291 -6.321 1.00 0.00 H new ATOM 0 HA PHE A 4 7.283 -10.134 -4.452 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.217 -10.303 -7.488 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.345 -9.296 -6.602 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.211 -12.844 -6.909 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.380 -10.185 -5.861 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.738 -14.760 -6.677 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.912 -12.097 -5.627 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.093 -14.390 -6.034 1.00 0.00 H new ATOM 76 N VAL A 5 6.331 -7.860 -4.552 1.00 0.00 N ATOM 77 CA VAL A 5 5.708 -6.543 -4.521 1.00 0.00 C ATOM 78 C VAL A 5 6.757 -5.436 -4.560 1.00 0.00 C ATOM 79 O VAL A 5 7.561 -5.297 -3.639 1.00 0.00 O ATOM 80 CB VAL A 5 4.839 -6.363 -3.263 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.130 -5.017 -3.289 1.00 0.00 C ATOM 82 CG2 VAL A 5 3.835 -7.500 -3.140 1.00 0.00 C ATOM 0 H VAL A 5 7.007 -8.024 -3.806 1.00 0.00 H new ATOM 0 HA VAL A 5 5.075 -6.473 -5.406 1.00 0.00 H new ATOM 0 HB VAL A 5 5.490 -6.387 -2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.521 -4.909 -2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.869 -4.217 -3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.491 -4.959 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.230 -7.356 -2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.188 -7.511 -4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.367 -8.449 -3.069 1.00 0.00 H new ATOM 92 N LYS A 6 6.742 -4.653 -5.633 1.00 0.00 N ATOM 93 CA LYS A 6 7.691 -3.557 -5.794 1.00 0.00 C ATOM 94 C LYS A 6 7.050 -2.224 -5.421 1.00 0.00 C ATOM 95 O LYS A 6 5.834 -2.061 -5.518 1.00 0.00 O ATOM 96 CB LYS A 6 8.204 -3.506 -7.233 1.00 0.00 C ATOM 97 CG LYS A 6 7.293 -2.737 -8.176 1.00 0.00 C ATOM 98 CD LYS A 6 7.935 -1.438 -8.635 1.00 0.00 C ATOM 99 CE LYS A 6 8.830 -1.656 -9.844 1.00 0.00 C ATOM 100 NZ LYS A 6 10.048 -0.800 -9.796 1.00 0.00 N ATOM 0 H LYS A 6 6.083 -4.757 -6.405 1.00 0.00 H new ATOM 0 HA LYS A 6 8.532 -3.735 -5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.193 -3.047 -7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.322 -4.524 -7.604 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.060 -3.355 -9.043 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.349 -2.521 -7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.158 -0.714 -8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.520 -1.012 -7.820 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.125 -2.704 -9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.270 -1.440 -10.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.631 -0.979 -10.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.768 0.201 -9.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.596 -1.024 -8.941 1.00 0.00 H new ATOM 114 N THR A 7 7.876 -1.273 -4.994 1.00 0.00 N ATOM 115 CA THR A 7 7.387 0.045 -4.606 1.00 0.00 C ATOM 116 C THR A 7 7.811 1.104 -5.618 1.00 0.00 C ATOM 117 O THR A 7 8.407 0.790 -6.649 1.00 0.00 O ATOM 118 CB THR A 7 7.905 0.416 -3.217 1.00 0.00 C ATOM 119 OG1 THR A 7 9.299 0.183 -3.122 1.00 0.00 O ATOM 120 CG2 THR A 7 7.234 -0.357 -2.102 1.00 0.00 C ATOM 0 H THR A 7 8.886 -1.391 -4.908 1.00 0.00 H new ATOM 0 HA THR A 7 6.298 0.007 -4.582 1.00 0.00 H new ATOM 0 HB THR A 7 7.672 1.474 -3.096 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.469 -0.782 -3.103 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.648 -0.045 -1.143 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.162 -0.159 -2.116 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.408 -1.424 -2.243 1.00 0.00 H new ATOM 128 N LEU A 8 7.500 2.360 -5.316 1.00 0.00 N ATOM 129 CA LEU A 8 7.846 3.469 -6.195 1.00 0.00 C ATOM 130 C LEU A 8 9.255 3.977 -5.905 1.00 0.00 C ATOM 131 O LEU A 8 9.631 5.071 -6.327 1.00 0.00 O ATOM 132 CB LEU A 8 6.839 4.609 -6.032 1.00 0.00 C ATOM 133 CG LEU A 8 6.122 5.028 -7.318 1.00 0.00 C ATOM 134 CD1 LEU A 8 5.253 6.251 -7.067 1.00 0.00 C ATOM 135 CD2 LEU A 8 7.129 5.302 -8.423 1.00 0.00 C ATOM 0 H LEU A 8 7.007 2.635 -4.466 1.00 0.00 H new ATOM 0 HA LEU A 8 7.814 3.107 -7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.091 4.311 -5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.358 5.476 -5.624 1.00 0.00 H new ATOM 0 HG LEU A 8 5.477 4.209 -7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.750 6.536 -7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.508 6.018 -6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.877 7.076 -6.724 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.602 5.599 -9.330 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.799 6.104 -8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.709 4.400 -8.619 1.00 0.00 H new ATOM 147 N THR A 9 10.032 3.175 -5.182 1.00 0.00 N ATOM 148 CA THR A 9 11.399 3.545 -4.836 1.00 0.00 C ATOM 149 C THR A 9 12.381 2.457 -5.258 1.00 0.00 C ATOM 150 O THR A 9 13.541 2.462 -4.847 1.00 0.00 O ATOM 151 CB THR A 9 11.516 3.800 -3.333 1.00 0.00 C ATOM 152 OG1 THR A 9 10.713 2.887 -2.606 1.00 0.00 O ATOM 153 CG2 THR A 9 11.102 5.198 -2.928 1.00 0.00 C ATOM 0 H THR A 9 9.738 2.266 -4.825 1.00 0.00 H new ATOM 0 HA THR A 9 11.648 4.461 -5.373 1.00 0.00 H new ATOM 0 HB THR A 9 12.573 3.670 -3.100 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.802 3.065 -1.646 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.209 5.311 -1.849 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.736 5.926 -3.434 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.062 5.365 -3.209 1.00 0.00 H new ATOM 161 N GLY A 10 11.908 1.526 -6.079 1.00 0.00 N ATOM 162 CA GLY A 10 12.758 0.444 -6.542 1.00 0.00 C ATOM 163 C GLY A 10 12.836 -0.698 -5.548 1.00 0.00 C ATOM 164 O GLY A 10 13.342 -1.774 -5.867 1.00 0.00 O ATOM 0 H GLY A 10 10.951 1.501 -6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.378 0.069 -7.492 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.761 0.828 -6.729 1.00 0.00 H new ATOM 168 N LYS A 11 12.332 -0.463 -4.340 1.00 0.00 N ATOM 169 CA LYS A 11 12.347 -1.482 -3.296 1.00 0.00 C ATOM 170 C LYS A 11 11.317 -2.569 -3.585 1.00 0.00 C ATOM 171 O LYS A 11 10.139 -2.281 -3.797 1.00 0.00 O ATOM 172 CB LYS A 11 12.067 -0.847 -1.933 1.00 0.00 C ATOM 173 CG LYS A 11 13.095 -1.204 -0.872 1.00 0.00 C ATOM 174 CD LYS A 11 12.435 -1.755 0.382 1.00 0.00 C ATOM 175 CE LYS A 11 13.132 -3.013 0.872 1.00 0.00 C ATOM 176 NZ LYS A 11 14.164 -2.713 1.903 1.00 0.00 N ATOM 0 H LYS A 11 11.909 0.422 -4.060 1.00 0.00 H new ATOM 0 HA LYS A 11 13.337 -1.939 -3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.035 0.237 -2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.081 -1.161 -1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.791 -1.942 -1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.679 -0.320 -0.618 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.454 -0.999 1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.387 -1.975 0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.393 -3.699 1.287 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.599 -3.521 0.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.615 -3.598 2.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.883 -2.079 1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.715 -2.252 2.720 1.00 0.00 H new ATOM 190 N THR A 12 11.770 -3.818 -3.595 1.00 0.00 N ATOM 191 CA THR A 12 10.887 -4.948 -3.860 1.00 0.00 C ATOM 192 C THR A 12 10.964 -5.978 -2.737 1.00 0.00 C ATOM 193 O THR A 12 12.051 -6.393 -2.335 1.00 0.00 O ATOM 194 CB THR A 12 11.252 -5.604 -5.194 1.00 0.00 C ATOM 195 OG1 THR A 12 11.603 -4.625 -6.154 1.00 0.00 O ATOM 196 CG2 THR A 12 10.132 -6.438 -5.777 1.00 0.00 C ATOM 0 H THR A 12 12.742 -4.073 -3.423 1.00 0.00 H new ATOM 0 HA THR A 12 9.865 -4.572 -3.913 1.00 0.00 H new ATOM 0 HB THR A 12 12.094 -6.260 -4.973 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.835 -5.064 -6.999 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.457 -6.874 -6.722 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.871 -7.235 -5.080 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.260 -5.807 -5.950 1.00 0.00 H new ATOM 204 N LEU A 13 9.803 -6.386 -2.234 1.00 0.00 N ATOM 205 CA LEU A 13 9.739 -7.368 -1.159 1.00 0.00 C ATOM 206 C LEU A 13 9.193 -8.697 -1.670 1.00 0.00 C ATOM 207 O LEU A 13 8.695 -8.785 -2.792 1.00 0.00 O ATOM 208 CB LEU A 13 8.865 -6.850 -0.015 1.00 0.00 C ATOM 209 CG LEU A 13 7.357 -6.939 -0.262 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.820 -8.283 0.207 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.633 -5.799 0.438 1.00 0.00 C ATOM 0 H LEU A 13 8.894 -6.051 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 13 10.751 -7.529 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.104 -7.412 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.125 -5.809 0.179 1.00 0.00 H new ATOM 0 HG LEU A 13 7.177 -6.852 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.746 -8.330 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.317 -9.084 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.012 -8.399 1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.562 -5.879 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.819 -5.854 1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.998 -4.846 0.055 1.00 0.00 H new ATOM 223 N THR A 14 9.292 -9.731 -0.840 1.00 0.00 N ATOM 224 CA THR A 14 8.808 -11.056 -1.212 1.00 0.00 C ATOM 225 C THR A 14 8.015 -11.688 -0.072 1.00 0.00 C ATOM 226 O THR A 14 8.524 -11.848 1.037 1.00 0.00 O ATOM 227 CB THR A 14 9.979 -11.961 -1.597 1.00 0.00 C ATOM 228 OG1 THR A 14 10.570 -11.527 -2.809 1.00 0.00 O ATOM 229 CG2 THR A 14 9.581 -13.411 -1.772 1.00 0.00 C ATOM 0 H THR A 14 9.702 -9.677 0.092 1.00 0.00 H new ATOM 0 HA THR A 14 8.147 -10.944 -2.071 1.00 0.00 H new ATOM 0 HB THR A 14 10.683 -11.892 -0.768 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.293 -12.120 -3.539 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.458 -13.999 -2.045 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.166 -13.790 -0.838 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.832 -13.490 -2.560 1.00 0.00 H new ATOM 237 N VAL A 15 6.769 -12.050 -0.357 1.00 0.00 N ATOM 238 CA VAL A 15 5.906 -12.669 0.640 1.00 0.00 C ATOM 239 C VAL A 15 5.564 -14.102 0.247 1.00 0.00 C ATOM 240 O VAL A 15 5.568 -14.449 -0.934 1.00 0.00 O ATOM 241 CB VAL A 15 4.600 -11.875 0.829 1.00 0.00 C ATOM 242 CG1 VAL A 15 4.777 -10.799 1.889 1.00 0.00 C ATOM 243 CG2 VAL A 15 4.151 -11.265 -0.491 1.00 0.00 C ATOM 0 H VAL A 15 6.335 -11.925 -1.271 1.00 0.00 H new ATOM 0 HA VAL A 15 6.457 -12.670 1.581 1.00 0.00 H new ATOM 0 HB VAL A 15 3.825 -12.562 1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.844 -10.249 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.048 -11.263 2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.566 -10.113 1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.227 -10.708 -0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.924 -10.592 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.981 -12.058 -1.219 1.00 0.00 H new ATOM 253 N GLU A 16 5.269 -14.932 1.242 1.00 0.00 N ATOM 254 CA GLU A 16 4.927 -16.328 0.993 1.00 0.00 C ATOM 255 C GLU A 16 3.624 -16.707 1.690 1.00 0.00 C ATOM 256 O GLU A 16 3.580 -16.853 2.911 1.00 0.00 O ATOM 257 CB GLU A 16 6.058 -17.243 1.466 1.00 0.00 C ATOM 258 CG GLU A 16 7.425 -16.577 1.461 1.00 0.00 C ATOM 259 CD GLU A 16 8.558 -17.572 1.323 1.00 0.00 C ATOM 260 OE1 GLU A 16 8.292 -18.724 0.923 1.00 0.00 O ATOM 261 OE2 GLU A 16 9.714 -17.200 1.617 1.00 0.00 O ATOM 0 H GLU A 16 5.260 -14.663 2.226 1.00 0.00 H new ATOM 0 HA GLU A 16 4.790 -16.455 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.836 -17.589 2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.091 -18.125 0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.473 -15.861 0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.553 -16.012 2.384 1.00 0.00 H new ATOM 268 N LEU A 17 2.565 -16.872 0.902 1.00 0.00 N ATOM 269 CA LEU A 17 1.261 -17.242 1.440 1.00 0.00 C ATOM 270 C LEU A 17 0.480 -18.081 0.435 1.00 0.00 C ATOM 271 O LEU A 17 0.866 -18.191 -0.729 1.00 0.00 O ATOM 272 CB LEU A 17 0.457 -15.994 1.814 1.00 0.00 C ATOM 273 CG LEU A 17 1.290 -14.737 2.065 1.00 0.00 C ATOM 274 CD1 LEU A 17 1.956 -14.280 0.780 1.00 0.00 C ATOM 275 CD2 LEU A 17 0.423 -13.629 2.644 1.00 0.00 C ATOM 0 H LEU A 17 2.585 -16.755 -0.111 1.00 0.00 H new ATOM 0 HA LEU A 17 1.425 -17.836 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.254 -15.786 1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.125 -16.211 2.710 1.00 0.00 H new ATOM 0 HG LEU A 17 2.068 -14.975 2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.546 -13.384 0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.608 -15.070 0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.193 -14.057 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.033 -12.742 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.377 -13.389 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.009 -13.961 3.588 1.00 0.00 H new ATOM 287 N GLU A 18 -0.619 -18.673 0.890 1.00 0.00 N ATOM 288 CA GLU A 18 -1.451 -19.503 0.027 1.00 0.00 C ATOM 289 C GLU A 18 -2.549 -18.673 -0.631 1.00 0.00 C ATOM 290 O GLU A 18 -3.018 -17.685 -0.065 1.00 0.00 O ATOM 291 CB GLU A 18 -2.072 -20.647 0.831 1.00 0.00 C ATOM 292 CG GLU A 18 -1.064 -21.429 1.657 1.00 0.00 C ATOM 293 CD GLU A 18 -0.576 -22.678 0.952 1.00 0.00 C ATOM 294 OE1 GLU A 18 -0.582 -22.696 -0.297 1.00 0.00 O ATOM 295 OE2 GLU A 18 -0.186 -23.639 1.648 1.00 0.00 O ATOM 0 H GLU A 18 -0.954 -18.594 1.850 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.818 -19.920 -0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.835 -20.241 1.495 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.575 -21.330 0.146 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.212 -20.789 1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.517 -21.707 2.608 1.00 0.00 H new ATOM 302 N PRO A 19 -2.972 -19.069 -1.840 1.00 0.00 N ATOM 303 CA PRO A 19 -4.020 -18.364 -2.581 1.00 0.00 C ATOM 304 C PRO A 19 -5.228 -18.042 -1.707 1.00 0.00 C ATOM 305 O PRO A 19 -6.001 -17.132 -2.009 1.00 0.00 O ATOM 306 CB PRO A 19 -4.401 -19.358 -3.677 1.00 0.00 C ATOM 307 CG PRO A 19 -3.164 -20.158 -3.906 1.00 0.00 C ATOM 308 CD PRO A 19 -2.461 -20.239 -2.577 1.00 0.00 C ATOM 0 HA PRO A 19 -3.679 -17.400 -2.959 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.231 -19.992 -3.366 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.715 -18.845 -4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.408 -21.153 -4.278 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.528 -19.685 -4.654 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.690 -21.170 -2.059 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.378 -20.197 -2.694 1.00 0.00 H new ATOM 316 N SER A 20 -5.384 -18.796 -0.623 1.00 0.00 N ATOM 317 CA SER A 20 -6.497 -18.592 0.295 1.00 0.00 C ATOM 318 C SER A 20 -6.365 -17.259 1.024 1.00 0.00 C ATOM 319 O SER A 20 -7.352 -16.553 1.232 1.00 0.00 O ATOM 320 CB SER A 20 -6.564 -19.735 1.309 1.00 0.00 C ATOM 321 OG SER A 20 -5.599 -19.565 2.333 1.00 0.00 O ATOM 0 H SER A 20 -4.753 -19.553 -0.360 1.00 0.00 H new ATOM 0 HA SER A 20 -7.418 -18.577 -0.288 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.561 -19.778 1.748 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.397 -20.685 0.802 1.00 0.00 H new ATOM 0 HG SER A 20 -5.663 -20.307 2.969 1.00 0.00 H new ATOM 327 N ASP A 21 -5.139 -16.919 1.408 1.00 0.00 N ATOM 328 CA ASP A 21 -4.878 -15.669 2.113 1.00 0.00 C ATOM 329 C ASP A 21 -5.678 -14.525 1.500 1.00 0.00 C ATOM 330 O ASP A 21 -6.087 -14.590 0.342 1.00 0.00 O ATOM 331 CB ASP A 21 -3.384 -15.341 2.077 1.00 0.00 C ATOM 332 CG ASP A 21 -2.567 -16.279 2.942 1.00 0.00 C ATOM 333 OD1 ASP A 21 -2.405 -17.455 2.554 1.00 0.00 O ATOM 334 OD2 ASP A 21 -2.087 -15.837 4.007 1.00 0.00 O ATOM 0 H ASP A 21 -4.311 -17.491 1.243 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.189 -15.792 3.150 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.027 -15.396 1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.232 -14.315 2.413 1.00 0.00 H new ATOM 339 N THR A 22 -5.896 -13.476 2.287 1.00 0.00 N ATOM 340 CA THR A 22 -6.648 -12.316 1.822 1.00 0.00 C ATOM 341 C THR A 22 -5.761 -11.077 1.772 1.00 0.00 C ATOM 342 O THR A 22 -4.639 -11.080 2.282 1.00 0.00 O ATOM 343 CB THR A 22 -7.847 -12.061 2.737 1.00 0.00 C ATOM 344 OG1 THR A 22 -7.432 -11.476 3.957 1.00 0.00 O ATOM 345 CG2 THR A 22 -8.623 -13.318 3.071 1.00 0.00 C ATOM 0 H THR A 22 -5.563 -13.405 3.249 1.00 0.00 H new ATOM 0 HA THR A 22 -7.005 -12.526 0.814 1.00 0.00 H new ATOM 0 HB THR A 22 -8.498 -11.388 2.178 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.672 -11.978 4.318 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.460 -13.067 3.723 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.001 -13.767 2.153 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.968 -14.026 3.578 1.00 0.00 H new ATOM 353 N VAL A 23 -6.272 -10.017 1.154 1.00 0.00 N ATOM 354 CA VAL A 23 -5.527 -8.771 1.041 1.00 0.00 C ATOM 355 C VAL A 23 -4.972 -8.350 2.395 1.00 0.00 C ATOM 356 O VAL A 23 -3.925 -7.707 2.477 1.00 0.00 O ATOM 357 CB VAL A 23 -6.405 -7.637 0.480 1.00 0.00 C ATOM 358 CG1 VAL A 23 -5.603 -6.351 0.356 1.00 0.00 C ATOM 359 CG2 VAL A 23 -6.998 -8.036 -0.863 1.00 0.00 C ATOM 0 H VAL A 23 -7.197 -9.997 0.725 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.704 -8.951 0.350 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.225 -7.460 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.241 -5.562 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.232 -6.057 1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.761 -6.511 -0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.615 -7.223 -1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.194 -8.243 -1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.610 -8.929 -0.739 1.00 0.00 H new ATOM 369 N GLU A 24 -5.678 -8.724 3.458 1.00 0.00 N ATOM 370 CA GLU A 24 -5.255 -8.391 4.812 1.00 0.00 C ATOM 371 C GLU A 24 -3.915 -9.045 5.130 1.00 0.00 C ATOM 372 O GLU A 24 -3.013 -8.407 5.671 1.00 0.00 O ATOM 373 CB GLU A 24 -6.310 -8.839 5.825 1.00 0.00 C ATOM 374 CG GLU A 24 -7.174 -7.703 6.345 1.00 0.00 C ATOM 375 CD GLU A 24 -7.331 -7.731 7.852 1.00 0.00 C ATOM 376 OE1 GLU A 24 -7.411 -8.841 8.420 1.00 0.00 O ATOM 377 OE2 GLU A 24 -7.374 -6.643 8.465 1.00 0.00 O ATOM 0 H GLU A 24 -6.546 -9.258 3.407 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.140 -7.309 4.879 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.951 -9.589 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.812 -9.321 6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.734 -6.751 6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.158 -7.758 5.880 1.00 0.00 H new ATOM 384 N ASN A 25 -3.790 -10.324 4.783 1.00 0.00 N ATOM 385 CA ASN A 25 -2.557 -11.060 5.025 1.00 0.00 C ATOM 386 C ASN A 25 -1.404 -10.436 4.250 1.00 0.00 C ATOM 387 O ASN A 25 -0.360 -10.113 4.820 1.00 0.00 O ATOM 388 CB ASN A 25 -2.721 -12.527 4.623 1.00 0.00 C ATOM 389 CG ASN A 25 -3.883 -13.194 5.334 1.00 0.00 C ATOM 390 OD1 ASN A 25 -5.003 -13.224 4.824 1.00 0.00 O ATOM 391 ND2 ASN A 25 -3.620 -13.732 6.519 1.00 0.00 N ATOM 0 H ASN A 25 -4.527 -10.869 4.335 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.333 -11.010 6.091 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.873 -12.591 3.545 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.802 -13.068 4.848 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.362 -14.194 7.045 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.676 -13.683 6.903 1.00 0.00 H new ATOM 398 N LEU A 26 -1.601 -10.262 2.947 1.00 0.00 N ATOM 399 CA LEU A 26 -0.577 -9.667 2.097 1.00 0.00 C ATOM 400 C LEU A 26 -0.138 -8.319 2.658 1.00 0.00 C ATOM 401 O LEU A 26 1.056 -8.038 2.770 1.00 0.00 O ATOM 402 CB LEU A 26 -1.099 -9.496 0.670 1.00 0.00 C ATOM 403 CG LEU A 26 -0.060 -9.021 -0.348 1.00 0.00 C ATOM 404 CD1 LEU A 26 1.180 -9.900 -0.293 1.00 0.00 C ATOM 405 CD2 LEU A 26 -0.650 -9.016 -1.749 1.00 0.00 C ATOM 0 H LEU A 26 -2.457 -10.524 2.458 1.00 0.00 H new ATOM 0 HA LEU A 26 0.283 -10.336 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.507 -10.449 0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.924 -8.783 0.684 1.00 0.00 H new ATOM 0 HG LEU A 26 0.230 -8.001 -0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.908 -9.548 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.615 -9.853 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.906 -10.930 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.103 -8.675 -2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.969 -10.024 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.508 -8.345 -1.780 1.00 0.00 H new ATOM 417 N LYS A 27 -1.114 -7.491 3.015 1.00 0.00 N ATOM 418 CA LYS A 27 -0.832 -6.175 3.573 1.00 0.00 C ATOM 419 C LYS A 27 -0.104 -6.306 4.906 1.00 0.00 C ATOM 420 O LYS A 27 0.951 -5.705 5.110 1.00 0.00 O ATOM 421 CB LYS A 27 -2.128 -5.385 3.758 1.00 0.00 C ATOM 422 CG LYS A 27 -2.620 -4.718 2.484 1.00 0.00 C ATOM 423 CD LYS A 27 -3.917 -3.960 2.716 1.00 0.00 C ATOM 424 CE LYS A 27 -4.521 -3.474 1.408 1.00 0.00 C ATOM 425 NZ LYS A 27 -4.190 -2.049 1.139 1.00 0.00 N ATOM 0 H LYS A 27 -2.107 -7.709 2.928 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.190 -5.637 2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.903 -6.056 4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.973 -4.622 4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.858 -4.032 2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.772 -5.473 1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.630 -4.605 3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.730 -3.108 3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.156 -4.092 0.588 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.604 -3.595 1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.044 -1.548 0.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.832 -1.606 2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.462 -1.996 0.398 1.00 0.00 H new ATOM 439 N ALA A 28 -0.672 -7.101 5.808 1.00 0.00 N ATOM 440 CA ALA A 28 -0.070 -7.316 7.117 1.00 0.00 C ATOM 441 C ALA A 28 1.442 -7.455 6.997 1.00 0.00 C ATOM 442 O ALA A 28 2.194 -6.865 7.771 1.00 0.00 O ATOM 443 CB ALA A 28 -0.667 -8.551 7.776 1.00 0.00 C ATOM 0 H ALA A 28 -1.546 -7.605 5.656 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.285 -6.449 7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.208 -8.700 8.753 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.742 -8.415 7.897 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.479 -9.424 7.151 1.00 0.00 H new ATOM 449 N LYS A 29 1.878 -8.235 6.013 1.00 0.00 N ATOM 450 CA LYS A 29 3.302 -8.447 5.782 1.00 0.00 C ATOM 451 C LYS A 29 3.968 -7.153 5.329 1.00 0.00 C ATOM 452 O LYS A 29 5.007 -6.758 5.858 1.00 0.00 O ATOM 453 CB LYS A 29 3.514 -9.540 4.734 1.00 0.00 C ATOM 454 CG LYS A 29 3.510 -10.947 5.311 1.00 0.00 C ATOM 455 CD LYS A 29 2.274 -11.721 4.882 1.00 0.00 C ATOM 456 CE LYS A 29 2.348 -13.175 5.316 1.00 0.00 C ATOM 457 NZ LYS A 29 1.220 -13.545 6.214 1.00 0.00 N ATOM 0 H LYS A 29 1.266 -8.730 5.364 1.00 0.00 H new ATOM 0 HA LYS A 29 3.758 -8.765 6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.732 -9.464 3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.464 -9.367 4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.404 -11.478 4.985 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.549 -10.895 6.399 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.386 -11.257 5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.169 -11.669 3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.337 -13.818 4.436 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.293 -13.353 5.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.307 -14.545 6.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.245 -12.950 7.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.318 -13.400 5.717 1.00 0.00 H new ATOM 471 N ILE A 30 3.357 -6.494 4.349 1.00 0.00 N ATOM 472 CA ILE A 30 3.887 -5.239 3.829 1.00 0.00 C ATOM 473 C ILE A 30 3.969 -4.188 4.930 1.00 0.00 C ATOM 474 O ILE A 30 4.700 -3.203 4.813 1.00 0.00 O ATOM 475 CB ILE A 30 3.021 -4.695 2.676 1.00 0.00 C ATOM 476 CG1 ILE A 30 2.977 -5.702 1.524 1.00 0.00 C ATOM 477 CG2 ILE A 30 3.559 -3.355 2.197 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.250 -5.190 0.299 1.00 0.00 C ATOM 0 H ILE A 30 2.496 -6.808 3.900 1.00 0.00 H new ATOM 0 HA ILE A 30 4.887 -5.448 3.449 1.00 0.00 H new ATOM 0 HB ILE A 30 2.005 -4.546 3.042 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.997 -5.968 1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.492 -6.615 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.937 -2.983 1.383 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.543 -2.641 3.021 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.583 -3.479 1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.259 -5.956 -0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.219 -4.951 0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.748 -4.294 -0.071 1.00 0.00 H new ATOM 490 N GLN A 31 3.216 -4.408 6.004 1.00 0.00 N ATOM 491 CA GLN A 31 3.205 -3.486 7.132 1.00 0.00 C ATOM 492 C GLN A 31 4.279 -3.866 8.144 1.00 0.00 C ATOM 493 O GLN A 31 4.873 -3.003 8.790 1.00 0.00 O ATOM 494 CB GLN A 31 1.831 -3.484 7.804 1.00 0.00 C ATOM 495 CG GLN A 31 1.803 -2.738 9.128 1.00 0.00 C ATOM 496 CD GLN A 31 0.451 -2.809 9.811 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.458 -3.495 9.344 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.312 -2.098 10.924 1.00 0.00 N ATOM 0 H GLN A 31 2.606 -5.218 6.116 1.00 0.00 H new ATOM 0 HA GLN A 31 3.416 -2.484 6.758 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.105 -3.033 7.127 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.515 -4.514 7.970 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.562 -3.153 9.790 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.065 -1.694 8.958 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.092 -1.543 11.276 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.575 -2.107 11.427 1.00 0.00 H new ATOM 507 N ASP A 32 4.526 -5.165 8.273 1.00 0.00 N ATOM 508 CA ASP A 32 5.532 -5.664 9.202 1.00 0.00 C ATOM 509 C ASP A 32 6.894 -5.771 8.524 1.00 0.00 C ATOM 510 O ASP A 32 7.913 -5.971 9.185 1.00 0.00 O ATOM 511 CB ASP A 32 5.116 -7.023 9.753 1.00 0.00 C ATOM 512 CG ASP A 32 4.959 -7.014 11.260 1.00 0.00 C ATOM 513 OD1 ASP A 32 5.984 -7.134 11.965 1.00 0.00 O ATOM 514 OD2 ASP A 32 3.812 -6.888 11.738 1.00 0.00 O ATOM 0 H ASP A 32 4.043 -5.892 7.745 1.00 0.00 H new ATOM 0 HA ASP A 32 5.612 -4.955 10.026 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.174 -7.325 9.295 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.860 -7.768 9.473 1.00 0.00 H new ATOM 519 N LYS A 33 6.903 -5.642 7.201 1.00 0.00 N ATOM 520 CA LYS A 33 8.139 -5.728 6.432 1.00 0.00 C ATOM 521 C LYS A 33 8.594 -4.348 5.968 1.00 0.00 C ATOM 522 O LYS A 33 9.701 -3.910 6.280 1.00 0.00 O ATOM 523 CB LYS A 33 7.949 -6.643 5.222 1.00 0.00 C ATOM 524 CG LYS A 33 8.349 -8.086 5.480 1.00 0.00 C ATOM 525 CD LYS A 33 8.620 -8.830 4.181 1.00 0.00 C ATOM 526 CE LYS A 33 9.383 -10.121 4.426 1.00 0.00 C ATOM 527 NZ LYS A 33 8.522 -11.167 5.046 1.00 0.00 N ATOM 0 H LYS A 33 6.068 -5.477 6.639 1.00 0.00 H new ATOM 0 HA LYS A 33 8.909 -6.145 7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.903 -6.614 4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.536 -6.256 4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.240 -8.111 6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.556 -8.591 6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.676 -9.053 3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.191 -8.191 3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.781 -10.492 3.482 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.236 -9.921 5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.080 -12.032 5.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.162 -10.824 5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.722 -11.377 4.415 1.00 0.00 H new ATOM 541 N GLU A 34 7.732 -3.667 5.219 1.00 0.00 N ATOM 542 CA GLU A 34 8.046 -2.337 4.707 1.00 0.00 C ATOM 543 C GLU A 34 7.606 -1.255 5.688 1.00 0.00 C ATOM 544 O GLU A 34 7.977 -0.090 5.546 1.00 0.00 O ATOM 545 CB GLU A 34 7.372 -2.118 3.352 1.00 0.00 C ATOM 546 CG GLU A 34 7.390 -3.346 2.458 1.00 0.00 C ATOM 547 CD GLU A 34 8.615 -3.401 1.566 1.00 0.00 C ATOM 548 OE1 GLU A 34 8.788 -2.483 0.737 1.00 0.00 O ATOM 549 OE2 GLU A 34 9.402 -4.362 1.697 1.00 0.00 O ATOM 0 H GLU A 34 6.811 -4.014 4.953 1.00 0.00 H new ATOM 0 HA GLU A 34 9.127 -2.270 4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.338 -1.813 3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.870 -1.296 2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.356 -4.242 3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.493 -3.353 1.838 1.00 0.00 H new ATOM 556 N GLY A 35 6.812 -1.645 6.680 1.00 0.00 N ATOM 557 CA GLY A 35 6.337 -0.691 7.664 1.00 0.00 C ATOM 558 C GLY A 35 5.245 0.207 7.118 1.00 0.00 C ATOM 559 O GLY A 35 5.083 1.341 7.568 1.00 0.00 O ATOM 0 H GLY A 35 6.490 -2.603 6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.960 -1.228 8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.172 -0.078 8.004 1.00 0.00 H new ATOM 563 N ILE A 36 4.497 -0.298 6.143 1.00 0.00 N ATOM 564 CA ILE A 36 3.417 0.469 5.533 1.00 0.00 C ATOM 565 C ILE A 36 2.054 -0.013 6.018 1.00 0.00 C ATOM 566 O ILE A 36 1.781 -1.212 6.050 1.00 0.00 O ATOM 567 CB ILE A 36 3.461 0.377 3.995 1.00 0.00 C ATOM 568 CG1 ILE A 36 4.848 0.764 3.479 1.00 0.00 C ATOM 569 CG2 ILE A 36 2.392 1.268 3.381 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.027 0.527 1.995 1.00 0.00 C ATOM 0 H ILE A 36 4.619 -1.235 5.758 1.00 0.00 H new ATOM 0 HA ILE A 36 3.561 1.507 5.834 1.00 0.00 H new ATOM 0 HB ILE A 36 3.260 -0.653 3.701 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.027 1.817 3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.602 0.195 4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.435 1.193 2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.409 0.949 3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.564 2.302 3.680 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.033 0.823 1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.880 -0.530 1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.297 1.117 1.442 1.00 0.00 H new ATOM 582 N PRO A 37 1.177 0.928 6.403 1.00 0.00 N ATOM 583 CA PRO A 37 -0.165 0.611 6.889 1.00 0.00 C ATOM 584 C PRO A 37 -1.147 0.351 5.751 1.00 0.00 C ATOM 585 O PRO A 37 -1.035 0.937 4.675 1.00 0.00 O ATOM 586 CB PRO A 37 -0.552 1.876 7.650 1.00 0.00 C ATOM 587 CG PRO A 37 0.151 2.973 6.926 1.00 0.00 C ATOM 588 CD PRO A 37 1.433 2.380 6.394 1.00 0.00 C ATOM 0 HA PRO A 37 -0.186 -0.298 7.491 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.632 2.026 7.648 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.239 1.824 8.693 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.465 3.359 6.114 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.358 3.809 7.594 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.655 2.741 5.390 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.285 2.640 7.022 1.00 0.00 H new ATOM 596 N PRO A 38 -2.126 -0.536 5.980 1.00 0.00 N ATOM 597 CA PRO A 38 -3.136 -0.878 4.974 1.00 0.00 C ATOM 598 C PRO A 38 -3.887 0.350 4.467 1.00 0.00 C ATOM 599 O PRO A 38 -4.471 0.330 3.384 1.00 0.00 O ATOM 600 CB PRO A 38 -4.090 -1.814 5.721 1.00 0.00 C ATOM 601 CG PRO A 38 -3.285 -2.363 6.849 1.00 0.00 C ATOM 602 CD PRO A 38 -2.325 -1.274 7.237 1.00 0.00 C ATOM 0 HA PRO A 38 -2.687 -1.327 4.088 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.966 -1.277 6.085 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.452 -2.610 5.070 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.924 -2.637 7.688 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.752 -3.264 6.546 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.736 -0.635 8.018 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.388 -1.680 7.618 1.00 0.00 H new ATOM 610 N ASP A 39 -3.865 1.419 5.258 1.00 0.00 N ATOM 611 CA ASP A 39 -4.544 2.657 4.890 1.00 0.00 C ATOM 612 C ASP A 39 -3.754 3.418 3.830 1.00 0.00 C ATOM 613 O ASP A 39 -4.316 4.209 3.072 1.00 0.00 O ATOM 614 CB ASP A 39 -4.744 3.538 6.124 1.00 0.00 C ATOM 615 CG ASP A 39 -6.209 3.740 6.459 1.00 0.00 C ATOM 616 OD1 ASP A 39 -7.065 3.199 5.729 1.00 0.00 O ATOM 617 OD2 ASP A 39 -6.500 4.440 7.453 1.00 0.00 O ATOM 0 H ASP A 39 -3.385 1.453 6.157 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.518 2.398 4.474 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.238 3.085 6.977 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.276 4.508 5.955 1.00 0.00 H new ATOM 622 N GLN A 40 -2.449 3.174 3.782 1.00 0.00 N ATOM 623 CA GLN A 40 -1.582 3.837 2.814 1.00 0.00 C ATOM 624 C GLN A 40 -1.011 2.836 1.812 1.00 0.00 C ATOM 625 O GLN A 40 -0.197 3.193 0.960 1.00 0.00 O ATOM 626 CB GLN A 40 -0.441 4.561 3.531 1.00 0.00 C ATOM 627 CG GLN A 40 -0.914 5.525 4.607 1.00 0.00 C ATOM 628 CD GLN A 40 0.160 6.517 5.013 1.00 0.00 C ATOM 629 OE1 GLN A 40 0.520 7.407 4.244 1.00 0.00 O ATOM 630 NE2 GLN A 40 0.677 6.366 6.227 1.00 0.00 N ATOM 0 H GLN A 40 -1.968 2.522 4.402 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.183 4.565 2.269 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.221 3.822 3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.148 5.110 2.797 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.787 6.068 4.245 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.231 4.959 5.483 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.348 5.613 6.831 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.403 7.003 6.555 1.00 0.00 H new ATOM 639 N GLN A 41 -1.442 1.582 1.921 1.00 0.00 N ATOM 640 CA GLN A 41 -0.970 0.532 1.026 1.00 0.00 C ATOM 641 C GLN A 41 -1.856 0.427 -0.212 1.00 0.00 C ATOM 642 O GLN A 41 -2.992 -0.040 -0.136 1.00 0.00 O ATOM 643 CB GLN A 41 -0.940 -0.811 1.755 1.00 0.00 C ATOM 644 CG GLN A 41 0.446 -1.223 2.220 1.00 0.00 C ATOM 645 CD GLN A 41 0.495 -2.658 2.704 1.00 0.00 C ATOM 646 OE1 GLN A 41 0.513 -3.594 1.906 1.00 0.00 O ATOM 647 NE2 GLN A 41 0.517 -2.837 4.019 1.00 0.00 N ATOM 0 H GLN A 41 -2.116 1.270 2.620 1.00 0.00 H new ATOM 0 HA GLN A 41 0.039 0.792 0.707 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.603 -0.760 2.619 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.336 -1.582 1.094 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.153 -1.095 1.400 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.767 -0.561 3.024 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.501 -2.031 4.644 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.550 -3.781 4.405 1.00 0.00 H new ATOM 656 N ARG A 42 -1.325 0.859 -1.352 1.00 0.00 N ATOM 657 CA ARG A 42 -2.066 0.808 -2.605 1.00 0.00 C ATOM 658 C ARG A 42 -1.542 -0.315 -3.495 1.00 0.00 C ATOM 659 O ARG A 42 -0.528 -0.158 -4.174 1.00 0.00 O ATOM 660 CB ARG A 42 -1.967 2.147 -3.340 1.00 0.00 C ATOM 661 CG ARG A 42 -3.164 2.444 -4.227 1.00 0.00 C ATOM 662 CD ARG A 42 -3.553 3.913 -4.168 1.00 0.00 C ATOM 663 NE ARG A 42 -4.771 4.188 -4.924 1.00 0.00 N ATOM 664 CZ ARG A 42 -5.593 5.196 -4.655 1.00 0.00 C ATOM 665 NH1 ARG A 42 -5.326 6.023 -3.653 1.00 0.00 N ATOM 666 NH2 ARG A 42 -6.683 5.380 -5.387 1.00 0.00 N ATOM 0 H ARG A 42 -0.385 1.248 -1.432 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.112 0.610 -2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.861 2.947 -2.607 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.064 2.151 -3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.932 2.169 -5.256 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.009 1.830 -3.916 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.697 4.208 -3.129 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.738 4.520 -4.561 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.004 3.571 -5.703 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.488 5.885 -3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.958 6.797 -3.448 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.892 4.747 -6.159 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.313 6.155 -5.178 1.00 0.00 H new ATOM 680 N LEU A 43 -2.236 -1.448 -3.481 1.00 0.00 N ATOM 681 CA LEU A 43 -1.836 -2.599 -4.282 1.00 0.00 C ATOM 682 C LEU A 43 -2.481 -2.557 -5.664 1.00 0.00 C ATOM 683 O LEU A 43 -3.705 -2.587 -5.792 1.00 0.00 O ATOM 684 CB LEU A 43 -2.214 -3.897 -3.568 1.00 0.00 C ATOM 685 CG LEU A 43 -1.766 -3.987 -2.108 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.253 -5.282 -1.478 1.00 0.00 C ATOM 687 CD2 LEU A 43 -0.251 -3.879 -2.010 1.00 0.00 C ATOM 0 H LEU A 43 -3.078 -1.594 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.754 -2.562 -4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.297 -4.013 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.783 -4.734 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.207 -3.154 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.924 -5.328 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.342 -5.318 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.843 -6.130 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.052 -3.945 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.209 -4.691 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.073 -2.923 -2.422 1.00 0.00 H new ATOM 699 N ILE A 44 -1.646 -2.488 -6.696 1.00 0.00 N ATOM 700 CA ILE A 44 -2.129 -2.442 -8.071 1.00 0.00 C ATOM 701 C ILE A 44 -1.538 -3.579 -8.897 1.00 0.00 C ATOM 702 O ILE A 44 -0.383 -3.518 -9.321 1.00 0.00 O ATOM 703 CB ILE A 44 -1.780 -1.101 -8.744 1.00 0.00 C ATOM 704 CG1 ILE A 44 -2.088 0.063 -7.801 1.00 0.00 C ATOM 705 CG2 ILE A 44 -2.544 -0.949 -10.050 1.00 0.00 C ATOM 706 CD1 ILE A 44 -3.533 0.115 -7.355 1.00 0.00 C ATOM 0 H ILE A 44 -0.630 -2.463 -6.606 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.213 -2.549 -8.030 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.713 -1.090 -8.967 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.448 -0.013 -6.922 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.836 0.999 -8.299 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.287 0.003 -10.513 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.279 -1.764 -10.724 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.615 -0.978 -9.850 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.678 0.965 -6.689 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.179 0.223 -8.226 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.785 -0.806 -6.828 1.00 0.00 H new ATOM 718 N PHE A 45 -2.336 -4.618 -9.124 1.00 0.00 N ATOM 719 CA PHE A 45 -1.890 -5.770 -9.899 1.00 0.00 C ATOM 720 C PHE A 45 -2.473 -5.738 -11.308 1.00 0.00 C ATOM 721 O PHE A 45 -3.674 -5.925 -11.497 1.00 0.00 O ATOM 722 CB PHE A 45 -2.291 -7.069 -9.199 1.00 0.00 C ATOM 723 CG PHE A 45 -2.010 -8.300 -10.011 1.00 0.00 C ATOM 724 CD1 PHE A 45 -0.716 -8.590 -10.433 1.00 0.00 C ATOM 725 CD2 PHE A 45 -3.037 -9.173 -10.354 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.453 -9.725 -11.182 1.00 0.00 C ATOM 727 CE2 PHE A 45 -2.780 -10.310 -11.104 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.486 -10.586 -11.518 1.00 0.00 C ATOM 0 H PHE A 45 -3.295 -4.685 -8.782 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.803 -5.726 -9.974 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.759 -7.140 -8.250 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.355 -7.033 -8.966 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.092 -7.922 -10.174 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.046 -8.963 -10.032 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.556 -9.939 -11.504 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.586 -10.980 -11.365 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.283 -11.471 -12.102 1.00 0.00 H new ATOM 738 N ALA A 46 -1.612 -5.500 -12.293 1.00 0.00 N ATOM 739 CA ALA A 46 -2.041 -5.445 -13.686 1.00 0.00 C ATOM 740 C ALA A 46 -3.128 -4.394 -13.886 1.00 0.00 C ATOM 741 O ALA A 46 -4.091 -4.615 -14.620 1.00 0.00 O ATOM 742 CB ALA A 46 -2.535 -6.811 -14.139 1.00 0.00 C ATOM 0 H ALA A 46 -0.614 -5.342 -12.152 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.182 -5.160 -14.294 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.852 -6.756 -15.180 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.730 -7.539 -14.043 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.377 -7.117 -13.519 1.00 0.00 H new ATOM 748 N GLY A 47 -2.967 -3.252 -13.228 1.00 0.00 N ATOM 749 CA GLY A 47 -3.943 -2.183 -13.348 1.00 0.00 C ATOM 750 C GLY A 47 -5.140 -2.386 -12.440 1.00 0.00 C ATOM 751 O GLY A 47 -5.972 -1.492 -12.290 1.00 0.00 O ATOM 0 H GLY A 47 -2.179 -3.046 -12.614 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.467 -1.232 -13.109 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.282 -2.119 -14.382 1.00 0.00 H new ATOM 755 N LYS A 48 -5.227 -3.565 -11.832 1.00 0.00 N ATOM 756 CA LYS A 48 -6.331 -3.882 -10.934 1.00 0.00 C ATOM 757 C LYS A 48 -5.955 -3.591 -9.484 1.00 0.00 C ATOM 758 O LYS A 48 -5.001 -4.161 -8.954 1.00 0.00 O ATOM 759 CB LYS A 48 -6.733 -5.351 -11.084 1.00 0.00 C ATOM 760 CG LYS A 48 -8.237 -5.574 -11.071 1.00 0.00 C ATOM 761 CD LYS A 48 -8.689 -6.386 -12.275 1.00 0.00 C ATOM 762 CE LYS A 48 -10.124 -6.862 -12.117 1.00 0.00 C ATOM 763 NZ LYS A 48 -11.019 -6.290 -13.161 1.00 0.00 N ATOM 0 H LYS A 48 -4.546 -4.316 -11.945 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.178 -3.251 -11.204 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.325 -5.737 -12.018 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.282 -5.927 -10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.522 -6.091 -10.154 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.749 -4.612 -11.067 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.602 -5.780 -13.177 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.031 -7.246 -12.404 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.153 -7.950 -12.171 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.492 -6.582 -11.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.988 -6.640 -13.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.012 -5.252 -13.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.683 -6.578 -14.102 1.00 0.00 H new ATOM 777 N GLN A 49 -6.710 -2.702 -8.849 1.00 0.00 N ATOM 778 CA GLN A 49 -6.456 -2.336 -7.460 1.00 0.00 C ATOM 779 C GLN A 49 -7.155 -3.299 -6.506 1.00 0.00 C ATOM 780 O GLN A 49 -8.384 -3.334 -6.432 1.00 0.00 O ATOM 781 CB GLN A 49 -6.931 -0.906 -7.194 1.00 0.00 C ATOM 782 CG GLN A 49 -6.804 -0.482 -5.740 1.00 0.00 C ATOM 783 CD GLN A 49 -7.701 0.690 -5.395 1.00 0.00 C ATOM 784 OE1 GLN A 49 -8.865 0.512 -5.037 1.00 0.00 O ATOM 785 NE2 GLN A 49 -7.162 1.900 -5.502 1.00 0.00 N ATOM 0 H GLN A 49 -7.503 -2.221 -9.274 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.382 -2.396 -7.286 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.356 -0.220 -7.815 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.973 -0.816 -7.500 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.051 -1.326 -5.096 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.768 -0.215 -5.532 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.193 2.002 -5.803 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.718 2.727 -5.284 1.00 0.00 H new ATOM 794 N LEU A 50 -6.365 -4.081 -5.777 1.00 0.00 N ATOM 795 CA LEU A 50 -6.909 -5.045 -4.827 1.00 0.00 C ATOM 796 C LEU A 50 -7.784 -4.349 -3.789 1.00 0.00 C ATOM 797 O LEU A 50 -7.523 -3.209 -3.407 1.00 0.00 O ATOM 798 CB LEU A 50 -5.777 -5.804 -4.131 1.00 0.00 C ATOM 799 CG LEU A 50 -4.629 -6.237 -5.045 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.610 -7.056 -4.269 1.00 0.00 C ATOM 801 CD2 LEU A 50 -5.161 -7.028 -6.230 1.00 0.00 C ATOM 0 H LEU A 50 -5.346 -4.066 -5.826 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.525 -5.754 -5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.372 -5.175 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.195 -6.690 -3.653 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.134 -5.343 -5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.801 -7.355 -4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.206 -6.456 -3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.092 -7.945 -3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.331 -7.328 -6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.681 -7.916 -5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.853 -6.408 -6.800 1.00 0.00 H new ATOM 813 N GLU A 51 -8.824 -5.043 -3.337 1.00 0.00 N ATOM 814 CA GLU A 51 -9.736 -4.490 -2.342 1.00 0.00 C ATOM 815 C GLU A 51 -9.654 -5.272 -1.035 1.00 0.00 C ATOM 816 O GLU A 51 -9.761 -6.498 -1.025 1.00 0.00 O ATOM 817 CB GLU A 51 -11.172 -4.508 -2.870 1.00 0.00 C ATOM 818 CG GLU A 51 -11.543 -3.267 -3.665 1.00 0.00 C ATOM 819 CD GLU A 51 -13.033 -3.162 -3.923 1.00 0.00 C ATOM 820 OE1 GLU A 51 -13.760 -4.126 -3.601 1.00 0.00 O ATOM 821 OE2 GLU A 51 -13.473 -2.118 -4.448 1.00 0.00 O ATOM 0 H GLU A 51 -9.056 -5.988 -3.643 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.440 -3.459 -2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.308 -5.387 -3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.858 -4.609 -2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.208 -2.381 -3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.013 -3.279 -4.618 1.00 0.00 H new ATOM 828 N ASP A 52 -9.463 -4.554 0.068 1.00 0.00 N ATOM 829 CA ASP A 52 -9.366 -5.177 1.379 1.00 0.00 C ATOM 830 C ASP A 52 -10.575 -6.065 1.651 1.00 0.00 C ATOM 831 O ASP A 52 -11.662 -5.576 1.958 1.00 0.00 O ATOM 832 CB ASP A 52 -9.249 -4.106 2.463 1.00 0.00 C ATOM 833 CG ASP A 52 -9.984 -2.828 2.106 1.00 0.00 C ATOM 834 OD1 ASP A 52 -9.565 -2.153 1.143 1.00 0.00 O ATOM 835 OD2 ASP A 52 -10.979 -2.505 2.787 1.00 0.00 O ATOM 0 H ASP A 52 -9.372 -3.538 0.077 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.472 -5.801 1.394 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.645 -4.498 3.400 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.196 -3.880 2.632 1.00 0.00 H new ATOM 840 N GLY A 53 -10.378 -7.374 1.537 1.00 0.00 N ATOM 841 CA GLY A 53 -11.459 -8.312 1.773 1.00 0.00 C ATOM 842 C GLY A 53 -11.472 -9.445 0.767 1.00 0.00 C ATOM 843 O GLY A 53 -12.158 -10.450 0.961 1.00 0.00 O ATOM 0 H GLY A 53 -9.487 -7.802 1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.366 -8.723 2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.411 -7.783 1.732 1.00 0.00 H new ATOM 847 N ARG A 54 -10.713 -9.283 -0.312 1.00 0.00 N ATOM 848 CA ARG A 54 -10.638 -10.299 -1.356 1.00 0.00 C ATOM 849 C ARG A 54 -9.445 -11.222 -1.130 1.00 0.00 C ATOM 850 O ARG A 54 -8.506 -10.875 -0.413 1.00 0.00 O ATOM 851 CB ARG A 54 -10.534 -9.639 -2.731 1.00 0.00 C ATOM 852 CG ARG A 54 -10.931 -10.555 -3.877 1.00 0.00 C ATOM 853 CD ARG A 54 -11.657 -9.793 -4.973 1.00 0.00 C ATOM 854 NE ARG A 54 -12.903 -10.448 -5.362 1.00 0.00 N ATOM 855 CZ ARG A 54 -13.929 -10.627 -4.537 1.00 0.00 C ATOM 856 NH1 ARG A 54 -13.857 -10.202 -3.282 1.00 0.00 N ATOM 857 NH2 ARG A 54 -15.029 -11.230 -4.966 1.00 0.00 N ATOM 0 H ARG A 54 -10.141 -8.457 -0.486 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.549 -10.896 -1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.169 -8.753 -2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.510 -9.300 -2.886 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.041 -11.029 -4.290 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.572 -11.353 -3.501 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.871 -8.781 -4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.007 -9.704 -5.844 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.990 -10.787 -6.320 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.013 -9.737 -2.949 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.646 -10.341 -2.651 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.088 -11.557 -5.930 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.816 -11.367 -4.332 1.00 0.00 H new ATOM 871 N THR A 55 -9.488 -12.397 -1.747 1.00 0.00 N ATOM 872 CA THR A 55 -8.411 -13.370 -1.615 1.00 0.00 C ATOM 873 C THR A 55 -7.421 -13.248 -2.769 1.00 0.00 C ATOM 874 O THR A 55 -7.719 -12.632 -3.793 1.00 0.00 O ATOM 875 CB THR A 55 -8.980 -14.789 -1.564 1.00 0.00 C ATOM 876 OG1 THR A 55 -9.523 -15.157 -2.819 1.00 0.00 O ATOM 877 CG2 THR A 55 -10.068 -14.959 -0.525 1.00 0.00 C ATOM 0 H THR A 55 -10.258 -12.699 -2.344 1.00 0.00 H new ATOM 0 HA THR A 55 -7.883 -13.164 -0.684 1.00 0.00 H new ATOM 0 HB THR A 55 -8.139 -15.429 -1.295 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.492 -15.011 -2.812 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.429 -15.988 -0.541 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.667 -14.730 0.462 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.893 -14.282 -0.748 1.00 0.00 H new ATOM 885 N LEU A 56 -6.242 -13.836 -2.596 1.00 0.00 N ATOM 886 CA LEU A 56 -5.207 -13.792 -3.623 1.00 0.00 C ATOM 887 C LEU A 56 -5.643 -14.563 -4.865 1.00 0.00 C ATOM 888 O LEU A 56 -5.637 -14.028 -5.973 1.00 0.00 O ATOM 889 CB LEU A 56 -3.899 -14.371 -3.083 1.00 0.00 C ATOM 890 CG LEU A 56 -3.195 -13.509 -2.033 1.00 0.00 C ATOM 891 CD1 LEU A 56 -1.702 -13.795 -2.021 1.00 0.00 C ATOM 892 CD2 LEU A 56 -3.457 -12.033 -2.296 1.00 0.00 C ATOM 0 H LEU A 56 -5.979 -14.349 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.048 -12.750 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.104 -15.350 -2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.217 -14.529 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.598 -13.761 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.218 -13.173 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.535 -14.846 -1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.281 -13.572 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.949 -11.433 -1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.081 -11.767 -3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.529 -11.840 -2.252 1.00 0.00 H new ATOM 904 N SER A 57 -6.018 -15.822 -4.671 1.00 0.00 N ATOM 905 CA SER A 57 -6.457 -16.668 -5.775 1.00 0.00 C ATOM 906 C SER A 57 -7.526 -15.965 -6.605 1.00 0.00 C ATOM 907 O SER A 57 -7.557 -16.088 -7.829 1.00 0.00 O ATOM 908 CB SER A 57 -6.997 -17.997 -5.244 1.00 0.00 C ATOM 909 OG SER A 57 -6.822 -19.034 -6.193 1.00 0.00 O ATOM 0 H SER A 57 -6.027 -16.280 -3.760 1.00 0.00 H new ATOM 0 HA SER A 57 -5.597 -16.865 -6.415 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.485 -18.257 -4.318 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.055 -17.894 -5.005 1.00 0.00 H new ATOM 0 HG SER A 57 -7.174 -19.873 -5.829 1.00 0.00 H new ATOM 915 N ASP A 58 -8.402 -15.227 -5.930 1.00 0.00 N ATOM 916 CA ASP A 58 -9.474 -14.504 -6.606 1.00 0.00 C ATOM 917 C ASP A 58 -8.934 -13.719 -7.796 1.00 0.00 C ATOM 918 O ASP A 58 -9.640 -13.502 -8.781 1.00 0.00 O ATOM 919 CB ASP A 58 -10.175 -13.557 -5.630 1.00 0.00 C ATOM 920 CG ASP A 58 -11.105 -14.288 -4.682 1.00 0.00 C ATOM 921 OD1 ASP A 58 -11.542 -15.407 -5.024 1.00 0.00 O ATOM 922 OD2 ASP A 58 -11.396 -13.742 -3.597 1.00 0.00 O ATOM 0 H ASP A 58 -8.391 -15.114 -4.916 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.195 -15.234 -6.973 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.426 -13.014 -5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.743 -12.816 -6.192 1.00 0.00 H new ATOM 927 N TYR A 59 -7.678 -13.296 -7.699 1.00 0.00 N ATOM 928 CA TYR A 59 -7.044 -12.534 -8.770 1.00 0.00 C ATOM 929 C TYR A 59 -6.291 -13.459 -9.720 1.00 0.00 C ATOM 930 O TYR A 59 -5.332 -13.047 -10.373 1.00 0.00 O ATOM 931 CB TYR A 59 -6.085 -11.494 -8.187 1.00 0.00 C ATOM 932 CG TYR A 59 -6.754 -10.502 -7.262 1.00 0.00 C ATOM 933 CD1 TYR A 59 -7.625 -9.533 -7.760 1.00 0.00 C ATOM 934 CD2 TYR A 59 -6.515 -10.530 -5.889 1.00 0.00 C ATOM 935 CE1 TYR A 59 -8.239 -8.622 -6.914 1.00 0.00 C ATOM 936 CE2 TYR A 59 -7.125 -9.622 -5.037 1.00 0.00 C ATOM 937 CZ TYR A 59 -7.985 -8.671 -5.555 1.00 0.00 C ATOM 938 OH TYR A 59 -8.593 -7.767 -4.713 1.00 0.00 O ATOM 0 H TYR A 59 -7.079 -13.467 -6.891 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.826 -12.022 -9.331 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.293 -12.008 -7.643 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.610 -10.952 -9.005 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.824 -9.492 -8.821 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.843 -11.271 -5.482 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.912 -7.878 -7.314 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.930 -9.657 -3.975 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.551 -7.966 -4.656 1.00 0.00 H new ATOM 948 N ASN A 60 -6.733 -14.710 -9.795 1.00 0.00 N ATOM 949 CA ASN A 60 -6.101 -15.693 -10.666 1.00 0.00 C ATOM 950 C ASN A 60 -4.585 -15.529 -10.664 1.00 0.00 C ATOM 951 O ASN A 60 -3.924 -15.753 -11.677 1.00 0.00 O ATOM 952 CB ASN A 60 -6.637 -15.562 -12.093 1.00 0.00 C ATOM 953 CG ASN A 60 -6.557 -14.140 -12.612 1.00 0.00 C ATOM 954 OD1 ASN A 60 -7.405 -13.303 -12.300 1.00 0.00 O ATOM 955 ND2 ASN A 60 -5.532 -13.858 -13.409 1.00 0.00 N ATOM 0 H ASN A 60 -7.527 -15.067 -9.263 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.341 -16.685 -10.284 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.070 -16.219 -12.753 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.673 -15.898 -12.121 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.425 -12.917 -13.788 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.852 -14.582 -13.642 1.00 0.00 H new ATOM 962 N LEU A 61 -4.039 -15.134 -9.517 1.00 0.00 N ATOM 963 CA LEU A 61 -2.601 -14.940 -9.381 1.00 0.00 C ATOM 964 C LEU A 61 -1.850 -16.242 -9.637 1.00 0.00 C ATOM 965 O LEU A 61 -2.427 -17.326 -9.569 1.00 0.00 O ATOM 966 CB LEU A 61 -2.267 -14.409 -7.986 1.00 0.00 C ATOM 967 CG LEU A 61 -2.250 -12.885 -7.861 1.00 0.00 C ATOM 968 CD1 LEU A 61 -2.488 -12.466 -6.417 1.00 0.00 C ATOM 969 CD2 LEU A 61 -0.933 -12.322 -8.371 1.00 0.00 C ATOM 0 H LEU A 61 -4.572 -14.942 -8.669 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.286 -14.208 -10.125 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.993 -14.808 -7.278 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.290 -14.793 -7.692 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.056 -12.480 -8.474 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.473 -11.378 -6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.458 -12.837 -6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.704 -12.882 -5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.940 -11.236 -8.274 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.110 -12.734 -7.786 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.803 -12.592 -9.419 1.00 0.00 H new ATOM 981 N GLN A 62 -0.559 -16.126 -9.930 1.00 0.00 N ATOM 982 CA GLN A 62 0.273 -17.295 -10.195 1.00 0.00 C ATOM 983 C GLN A 62 1.519 -17.287 -9.315 1.00 0.00 C ATOM 984 O GLN A 62 1.736 -16.357 -8.538 1.00 0.00 O ATOM 985 CB GLN A 62 0.677 -17.336 -11.670 1.00 0.00 C ATOM 986 CG GLN A 62 -0.445 -16.949 -12.619 1.00 0.00 C ATOM 987 CD GLN A 62 -0.456 -17.789 -13.882 1.00 0.00 C ATOM 988 OE1 GLN A 62 -1.513 -18.207 -14.354 1.00 0.00 O ATOM 989 NE2 GLN A 62 0.725 -18.042 -14.435 1.00 0.00 N ATOM 0 H GLN A 62 -0.066 -15.235 -9.990 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.310 -18.185 -9.960 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.521 -16.664 -11.826 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.020 -18.341 -11.916 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.402 -17.056 -12.108 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.343 -15.897 -12.887 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.576 -17.675 -14.010 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.780 -18.603 -15.285 1.00 0.00 H new ATOM 998 N LYS A 63 2.334 -18.329 -9.442 1.00 0.00 N ATOM 999 CA LYS A 63 3.558 -18.442 -8.658 1.00 0.00 C ATOM 1000 C LYS A 63 4.499 -17.279 -8.952 1.00 0.00 C ATOM 1001 O LYS A 63 4.737 -16.936 -10.110 1.00 0.00 O ATOM 1002 CB LYS A 63 4.260 -19.768 -8.955 1.00 0.00 C ATOM 1003 CG LYS A 63 5.334 -20.128 -7.941 1.00 0.00 C ATOM 1004 CD LYS A 63 4.847 -21.185 -6.964 1.00 0.00 C ATOM 1005 CE LYS A 63 5.975 -21.682 -6.076 1.00 0.00 C ATOM 1006 NZ LYS A 63 6.696 -22.833 -6.685 1.00 0.00 N ATOM 0 H LYS A 63 2.169 -19.107 -10.080 1.00 0.00 H new ATOM 0 HA LYS A 63 3.288 -18.412 -7.602 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.517 -20.565 -8.983 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.710 -19.717 -9.946 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.219 -20.493 -8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.632 -19.234 -7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.051 -20.771 -6.345 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.420 -22.023 -7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.678 -20.869 -5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.571 -21.978 -5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.458 -23.142 -6.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.031 -23.618 -6.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.104 -22.544 -7.597 1.00 0.00 H new ATOM 1020 N GLU A 64 5.033 -16.675 -7.895 1.00 0.00 N ATOM 1021 CA GLU A 64 5.949 -15.549 -8.039 1.00 0.00 C ATOM 1022 C GLU A 64 5.403 -14.526 -9.030 1.00 0.00 C ATOM 1023 O GLU A 64 5.751 -14.544 -10.211 1.00 0.00 O ATOM 1024 CB GLU A 64 7.324 -16.038 -8.498 1.00 0.00 C ATOM 1025 CG GLU A 64 7.969 -17.025 -7.540 1.00 0.00 C ATOM 1026 CD GLU A 64 9.464 -17.157 -7.758 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.963 -16.640 -8.780 1.00 0.00 O ATOM 1028 OE2 GLU A 64 10.136 -17.777 -6.907 1.00 0.00 O ATOM 0 H GLU A 64 4.847 -16.946 -6.930 1.00 0.00 H new ATOM 0 HA GLU A 64 6.049 -15.068 -7.066 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.226 -16.506 -9.477 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.984 -15.179 -8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.782 -16.706 -6.515 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.500 -18.002 -7.660 1.00 0.00 H new ATOM 1035 N SER A 65 4.549 -13.634 -8.540 1.00 0.00 N ATOM 1036 CA SER A 65 3.955 -12.602 -9.382 1.00 0.00 C ATOM 1037 C SER A 65 4.600 -11.246 -9.113 1.00 0.00 C ATOM 1038 O SER A 65 5.395 -11.098 -8.186 1.00 0.00 O ATOM 1039 CB SER A 65 2.448 -12.519 -9.140 1.00 0.00 C ATOM 1040 OG SER A 65 1.802 -13.721 -9.524 1.00 0.00 O ATOM 0 H SER A 65 4.253 -13.605 -7.564 1.00 0.00 H new ATOM 0 HA SER A 65 4.133 -12.871 -10.423 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.256 -12.321 -8.085 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.032 -11.683 -9.702 1.00 0.00 H new ATOM 0 HG SER A 65 2.060 -14.441 -8.912 1.00 0.00 H new ATOM 1046 N THR A 66 4.251 -10.258 -9.931 1.00 0.00 N ATOM 1047 CA THR A 66 4.795 -8.914 -9.780 1.00 0.00 C ATOM 1048 C THR A 66 3.680 -7.891 -9.588 1.00 0.00 C ATOM 1049 O THR A 66 2.949 -7.570 -10.524 1.00 0.00 O ATOM 1050 CB THR A 66 5.638 -8.542 -11.002 1.00 0.00 C ATOM 1051 OG1 THR A 66 6.687 -9.475 -11.191 1.00 0.00 O ATOM 1052 CG2 THR A 66 6.259 -7.166 -10.903 1.00 0.00 C ATOM 0 H THR A 66 3.594 -10.363 -10.704 1.00 0.00 H new ATOM 0 HA THR A 66 5.428 -8.905 -8.892 1.00 0.00 H new ATOM 0 HB THR A 66 4.946 -8.551 -11.844 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.213 -9.221 -11.978 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.843 -6.965 -11.801 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.472 -6.418 -10.807 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.910 -7.122 -10.030 1.00 0.00 H new ATOM 1060 N ILE A 67 3.556 -7.383 -8.366 1.00 0.00 N ATOM 1061 CA ILE A 67 2.531 -6.396 -8.049 1.00 0.00 C ATOM 1062 C ILE A 67 3.158 -5.044 -7.725 1.00 0.00 C ATOM 1063 O ILE A 67 4.196 -4.971 -7.066 1.00 0.00 O ATOM 1064 CB ILE A 67 1.662 -6.852 -6.858 1.00 0.00 C ATOM 1065 CG1 ILE A 67 0.758 -8.015 -7.273 1.00 0.00 C ATOM 1066 CG2 ILE A 67 0.829 -5.693 -6.327 1.00 0.00 C ATOM 1067 CD1 ILE A 67 1.498 -9.322 -7.452 1.00 0.00 C ATOM 0 H ILE A 67 4.153 -7.639 -7.579 1.00 0.00 H new ATOM 0 HA ILE A 67 1.897 -6.297 -8.930 1.00 0.00 H new ATOM 0 HB ILE A 67 2.322 -7.193 -6.060 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.019 -8.147 -6.520 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.257 -7.760 -8.207 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.223 -6.035 -5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.490 -4.892 -5.995 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.177 -5.321 -7.117 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.795 -10.101 -7.746 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.257 -9.207 -8.226 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.977 -9.601 -6.513 1.00 0.00 H new ATOM 1079 N HIS A 68 2.522 -3.975 -8.192 1.00 0.00 N ATOM 1080 CA HIS A 68 3.017 -2.625 -7.952 1.00 0.00 C ATOM 1081 C HIS A 68 2.364 -2.017 -6.715 1.00 0.00 C ATOM 1082 O HIS A 68 1.140 -2.023 -6.582 1.00 0.00 O ATOM 1083 CB HIS A 68 2.755 -1.738 -9.170 1.00 0.00 C ATOM 1084 CG HIS A 68 3.449 -2.205 -10.411 1.00 0.00 C ATOM 1085 ND1 HIS A 68 3.808 -1.357 -11.438 1.00 0.00 N ATOM 1086 CD2 HIS A 68 3.852 -3.442 -10.789 1.00 0.00 C ATOM 1087 CE1 HIS A 68 4.401 -2.053 -12.393 1.00 0.00 C ATOM 1088 NE2 HIS A 68 4.440 -3.319 -12.024 1.00 0.00 N ATOM 0 H HIS A 68 1.662 -4.018 -8.739 1.00 0.00 H new ATOM 0 HA HIS A 68 4.092 -2.685 -7.780 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.682 -1.699 -9.357 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.077 -0.721 -8.945 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.733 -4.355 -10.224 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.788 -1.653 -13.319 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.842 -4.083 -12.568 1.00 0.00 H new ATOM 1097 N LEU A 69 3.188 -1.494 -5.814 1.00 0.00 N ATOM 1098 CA LEU A 69 2.691 -0.883 -4.587 1.00 0.00 C ATOM 1099 C LEU A 69 2.842 0.633 -4.636 1.00 0.00 C ATOM 1100 O LEU A 69 3.955 1.154 -4.703 1.00 0.00 O ATOM 1101 CB LEU A 69 3.437 -1.444 -3.375 1.00 0.00 C ATOM 1102 CG LEU A 69 2.787 -1.149 -2.022 1.00 0.00 C ATOM 1103 CD1 LEU A 69 3.146 -2.228 -1.012 1.00 0.00 C ATOM 1104 CD2 LEU A 69 3.211 0.222 -1.517 1.00 0.00 C ATOM 0 H LEU A 69 4.203 -1.481 -5.910 1.00 0.00 H new ATOM 0 HA LEU A 69 1.631 -1.121 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.526 -2.524 -3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.449 -1.039 -3.371 1.00 0.00 H new ATOM 0 HG LEU A 69 1.705 -1.148 -2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.675 -2.002 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.793 -3.195 -1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.228 -2.262 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.740 0.417 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.295 0.249 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.903 0.985 -2.232 1.00 0.00 H new ATOM 1116 N VAL A 70 1.715 1.334 -4.601 1.00 0.00 N ATOM 1117 CA VAL A 70 1.722 2.791 -4.643 1.00 0.00 C ATOM 1118 C VAL A 70 1.275 3.381 -3.310 1.00 0.00 C ATOM 1119 O VAL A 70 0.411 2.826 -2.631 1.00 0.00 O ATOM 1120 CB VAL A 70 0.811 3.340 -5.762 1.00 0.00 C ATOM 1121 CG1 VAL A 70 1.596 4.265 -6.678 1.00 0.00 C ATOM 1122 CG2 VAL A 70 0.174 2.207 -6.555 1.00 0.00 C ATOM 0 H VAL A 70 0.786 0.918 -4.544 1.00 0.00 H new ATOM 0 HA VAL A 70 2.750 3.089 -4.849 1.00 0.00 H new ATOM 0 HB VAL A 70 0.009 3.913 -5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.940 4.644 -7.462 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.991 5.101 -6.100 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.421 3.715 -7.130 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.462 2.623 -7.336 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.955 1.597 -7.009 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.427 1.589 -5.888 1.00 0.00 H new ATOM 1132 N LEU A 71 1.872 4.509 -2.943 1.00 0.00 N ATOM 1133 CA LEU A 71 1.539 5.180 -1.692 1.00 0.00 C ATOM 1134 C LEU A 71 0.296 6.049 -1.857 1.00 0.00 C ATOM 1135 O LEU A 71 0.249 6.924 -2.720 1.00 0.00 O ATOM 1136 CB LEU A 71 2.715 6.037 -1.220 1.00 0.00 C ATOM 1137 CG LEU A 71 2.911 6.089 0.297 1.00 0.00 C ATOM 1138 CD1 LEU A 71 1.567 6.148 1.005 1.00 0.00 C ATOM 1139 CD2 LEU A 71 3.715 4.888 0.771 1.00 0.00 C ATOM 0 H LEU A 71 2.590 4.979 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 71 1.331 4.417 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.629 5.656 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.575 7.053 -1.588 1.00 0.00 H new ATOM 0 HG LEU A 71 3.468 6.993 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.725 6.184 2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.027 7.040 0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.984 5.262 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.845 4.941 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.185 3.971 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.692 4.890 0.288 1.00 0.00 H new ATOM 1151 N ARG A 72 -0.708 5.800 -1.022 1.00 0.00 N ATOM 1152 CA ARG A 72 -1.952 6.559 -1.076 1.00 0.00 C ATOM 1153 C ARG A 72 -1.679 8.039 -1.322 1.00 0.00 C ATOM 1154 O ARG A 72 -1.109 8.725 -0.473 1.00 0.00 O ATOM 1155 CB ARG A 72 -2.737 6.384 0.226 1.00 0.00 C ATOM 1156 CG ARG A 72 -3.815 7.435 0.432 1.00 0.00 C ATOM 1157 CD ARG A 72 -4.457 7.313 1.804 1.00 0.00 C ATOM 1158 NE ARG A 72 -5.711 6.566 1.758 1.00 0.00 N ATOM 1159 CZ ARG A 72 -6.687 6.709 2.649 1.00 0.00 C ATOM 1160 NH1 ARG A 72 -6.552 7.565 3.652 1.00 0.00 N ATOM 1161 NH2 ARG A 72 -7.799 5.994 2.539 1.00 0.00 N ATOM 0 H ARG A 72 -0.684 5.079 -0.301 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.545 6.175 -1.906 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -3.198 5.396 0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.043 6.417 1.066 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.382 8.429 0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.579 7.330 -0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.765 6.818 2.485 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.643 8.309 2.207 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.845 5.897 1.000 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.698 8.116 3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.302 7.673 4.335 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.906 5.333 1.770 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.547 6.105 3.224 1.00 0.00 H new ATOM 1175 N LEU A 73 -2.088 8.525 -2.489 1.00 0.00 N ATOM 1176 CA LEU A 73 -1.888 9.925 -2.847 1.00 0.00 C ATOM 1177 C LEU A 73 -2.104 10.831 -1.639 1.00 0.00 C ATOM 1178 O LEU A 73 -3.232 11.217 -1.334 1.00 0.00 O ATOM 1179 CB LEU A 73 -2.840 10.324 -3.977 1.00 0.00 C ATOM 1180 CG LEU A 73 -2.745 11.786 -4.418 1.00 0.00 C ATOM 1181 CD1 LEU A 73 -1.293 12.236 -4.468 1.00 0.00 C ATOM 1182 CD2 LEU A 73 -3.413 11.977 -5.771 1.00 0.00 C ATOM 0 H LEU A 73 -2.560 7.970 -3.203 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.860 10.045 -3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.643 9.687 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.863 10.122 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.268 12.402 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.246 13.278 -4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.847 12.136 -3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.744 11.617 -5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.337 13.022 -6.070 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.918 11.350 -6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.464 11.696 -5.701 1.00 0.00 H new ATOM 1194 N ARG A 74 -1.015 11.168 -0.956 1.00 0.00 N ATOM 1195 CA ARG A 74 -1.085 12.029 0.219 1.00 0.00 C ATOM 1196 C ARG A 74 -1.636 13.404 -0.146 1.00 0.00 C ATOM 1197 O ARG A 74 -2.413 13.991 0.607 1.00 0.00 O ATOM 1198 CB ARG A 74 0.299 12.174 0.856 1.00 0.00 C ATOM 1199 CG ARG A 74 0.347 11.751 2.315 1.00 0.00 C ATOM 1200 CD ARG A 74 1.703 11.168 2.681 1.00 0.00 C ATOM 1201 NE ARG A 74 2.023 11.371 4.092 1.00 0.00 N ATOM 1202 CZ ARG A 74 3.047 10.785 4.705 1.00 0.00 C ATOM 1203 NH1 ARG A 74 3.845 9.967 4.034 1.00 0.00 N ATOM 1204 NH2 ARG A 74 3.273 11.017 5.992 1.00 0.00 N ATOM 0 H ARG A 74 -0.073 10.858 -1.196 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.761 11.565 0.938 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.014 11.577 0.290 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.618 13.213 0.777 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.135 12.610 2.951 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.432 11.013 2.507 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.711 10.101 2.457 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.474 11.629 2.064 1.00 0.00 H new ATOM 0 HE ARG A 74 1.429 11.996 4.636 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.674 9.786 3.045 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.630 9.519 4.507 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.661 11.646 6.512 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.059 10.567 6.461 1.00 0.00 H new ATOM 1218 N GLY A 75 -1.228 13.911 -1.304 1.00 0.00 N ATOM 1219 CA GLY A 75 -1.691 15.212 -1.748 1.00 0.00 C ATOM 1220 C GLY A 75 -1.733 15.329 -3.259 1.00 0.00 C ATOM 1221 O GLY A 75 -2.791 15.187 -3.870 1.00 0.00 O ATOM 0 H GLY A 75 -0.585 13.444 -1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.687 15.397 -1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.036 15.984 -1.345 1.00 0.00 H new ATOM 1225 N GLY A 76 -0.578 15.590 -3.863 1.00 0.00 N ATOM 1226 CA GLY A 76 -0.509 15.722 -5.307 1.00 0.00 C ATOM 1227 C GLY A 76 0.800 15.212 -5.875 1.00 0.00 C ATOM 1228 O GLY A 76 1.864 15.564 -5.323 1.00 0.00 O ATOM 1229 OXT GLY A 76 0.763 14.460 -6.871 1.00 0.00 O ATOM 0 H GLY A 76 0.311 15.712 -3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.335 15.173 -5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.636 16.770 -5.579 1.00 0.00 H new TER 1233 GLY A 76