USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 407 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 32 THR OG1 : rot -170:sc= -0.253 USER MOD Set 1.2: A 37 GLN : amide:sc= -3.64! K(o=-3.9!,f=0.38) USER MOD Single : A 19 GLN : amide:sc= -3.12 K(o=-3.1,f=-8.8!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 63:sc= 0.119 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.178 K(o=0.18,f=-1.4) USER MOD Single : A 47 LYS NZ :NH3+ -124:sc= 1.05 (180deg=-1.8) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -7.33! C(o=-7.3!,f=-8.2!) USER MOD Single : A 53 ASN : amide:sc= -2.79! K(o=-2.8!,f=-1.4) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0.00403 X(o=0.004,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 18 17.199 2.781 -0.543 1.00 0.00 N ATOM 2 CA CYS A 18 16.223 1.878 -1.149 1.00 0.00 C ATOM 3 C CYS A 18 16.541 0.479 -0.697 1.00 0.00 C ATOM 4 O CYS A 18 17.698 0.036 -0.752 1.00 0.00 O ATOM 5 CB CYS A 18 16.221 1.876 -2.691 1.00 0.00 C ATOM 6 SG CYS A 18 16.240 3.522 -3.475 1.00 0.00 S ATOM 0 HA CYS A 18 15.241 2.228 -0.831 1.00 0.00 H new ATOM 0 HB2 CYS A 18 17.090 1.317 -3.038 1.00 0.00 H new ATOM 0 HB3 CYS A 18 15.338 1.338 -3.036 1.00 0.00 H new ATOM 11 N GLN A 19 15.517 -0.200 -0.242 1.00 0.00 N ATOM 12 CA GLN A 19 15.632 -1.562 0.208 1.00 0.00 C ATOM 13 C GLN A 19 14.545 -2.381 -0.479 1.00 0.00 C ATOM 14 O GLN A 19 13.353 -2.274 -0.169 1.00 0.00 O ATOM 15 CB GLN A 19 15.592 -1.594 1.757 1.00 0.00 C ATOM 16 CG GLN A 19 14.635 -0.583 2.415 1.00 0.00 C ATOM 17 CD GLN A 19 13.320 -1.180 2.843 1.00 0.00 C ATOM 18 OE1 GLN A 19 12.386 -1.286 2.054 1.00 0.00 O ATOM 19 NE2 GLN A 19 13.231 -1.547 4.108 1.00 0.00 N ATOM 0 H GLN A 19 14.574 0.182 -0.174 1.00 0.00 H new ATOM 0 HA GLN A 19 16.585 -2.014 -0.067 1.00 0.00 H new ATOM 0 HB2 GLN A 19 15.308 -2.597 2.075 1.00 0.00 H new ATOM 0 HB3 GLN A 19 16.599 -1.413 2.133 1.00 0.00 H new ATOM 0 HG2 GLN A 19 15.125 -0.146 3.285 1.00 0.00 H new ATOM 0 HG3 GLN A 19 14.443 0.230 1.715 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.034 -1.440 4.728 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.359 -1.937 4.466 1.00 0.00 H new ATOM 28 N LEU A 20 15.001 -3.184 -1.440 1.00 0.00 N ATOM 29 CA LEU A 20 14.134 -4.015 -2.264 1.00 0.00 C ATOM 30 C LEU A 20 14.124 -5.489 -1.842 1.00 0.00 C ATOM 31 O LEU A 20 15.036 -6.270 -2.145 1.00 0.00 O ATOM 32 CB LEU A 20 14.527 -3.851 -3.763 1.00 0.00 C ATOM 33 CG LEU A 20 13.485 -4.244 -4.864 1.00 0.00 C ATOM 34 CD1 LEU A 20 13.549 -5.733 -5.185 1.00 0.00 C ATOM 35 CD2 LEU A 20 12.055 -3.846 -4.490 1.00 0.00 C ATOM 0 H LEU A 20 15.991 -3.274 -1.668 1.00 0.00 H new ATOM 0 HA LEU A 20 13.111 -3.668 -2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.796 -2.807 -3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.427 -4.442 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 20 13.759 -3.680 -5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.813 -5.972 -5.953 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.546 -5.985 -5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 20 13.334 -6.309 -4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.374 -4.142 -5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.768 -4.346 -3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.003 -2.766 -4.350 1.00 0.00 H new ATOM 47 N PHE A 21 13.067 -5.813 -1.107 1.00 0.00 N ATOM 48 CA PHE A 21 12.754 -7.170 -0.652 1.00 0.00 C ATOM 49 C PHE A 21 11.234 -7.341 -0.768 1.00 0.00 C ATOM 50 O PHE A 21 10.467 -6.770 0.015 1.00 0.00 O ATOM 51 CB PHE A 21 13.300 -7.480 0.775 1.00 0.00 C ATOM 52 CG PHE A 21 12.833 -6.574 1.895 1.00 0.00 C ATOM 53 CD1 PHE A 21 13.481 -5.378 2.156 1.00 0.00 C ATOM 54 CD2 PHE A 21 11.758 -6.936 2.694 1.00 0.00 C ATOM 55 CE1 PHE A 21 13.065 -4.561 3.188 1.00 0.00 C ATOM 56 CE2 PHE A 21 11.337 -6.121 3.725 1.00 0.00 C ATOM 57 CZ PHE A 21 11.991 -4.932 3.973 1.00 0.00 C ATOM 0 H PHE A 21 12.382 -5.122 -0.800 1.00 0.00 H new ATOM 0 HA PHE A 21 13.261 -7.902 -1.281 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.025 -8.504 1.029 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.389 -7.442 0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.321 -5.081 1.545 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.244 -7.867 2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.580 -3.631 3.382 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.497 -6.414 4.337 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.664 -4.292 4.779 1.00 0.00 H new ATOM 67 N CYS A 22 10.818 -8.088 -1.796 1.00 0.00 N ATOM 68 CA CYS A 22 9.396 -8.284 -2.098 1.00 0.00 C ATOM 69 C CYS A 22 8.792 -9.603 -1.553 1.00 0.00 C ATOM 70 O CYS A 22 8.992 -10.669 -2.152 1.00 0.00 O ATOM 71 CB CYS A 22 9.190 -8.199 -3.614 1.00 0.00 C ATOM 72 SG CYS A 22 9.613 -6.577 -4.325 1.00 0.00 S ATOM 0 H CYS A 22 11.450 -8.569 -2.436 1.00 0.00 H new ATOM 0 HA CYS A 22 8.861 -7.489 -1.579 1.00 0.00 H new ATOM 0 HB2 CYS A 22 9.796 -8.966 -4.097 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.148 -8.425 -3.843 1.00 0.00 H new ATOM 77 N PRO A 23 8.063 -9.560 -0.382 1.00 0.00 N ATOM 78 CA PRO A 23 7.365 -10.740 0.173 1.00 0.00 C ATOM 79 C PRO A 23 5.963 -10.893 -0.450 1.00 0.00 C ATOM 80 O PRO A 23 5.296 -9.882 -0.709 1.00 0.00 O ATOM 81 CB PRO A 23 7.245 -10.427 1.680 1.00 0.00 C ATOM 82 CG PRO A 23 7.877 -9.080 1.885 1.00 0.00 C ATOM 83 CD PRO A 23 7.915 -8.410 0.540 1.00 0.00 C ATOM 0 HA PRO A 23 7.896 -11.670 -0.030 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.201 -10.418 1.993 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.750 -11.187 2.276 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.302 -8.487 2.596 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.882 -9.183 2.295 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.005 -7.844 0.342 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.748 -7.712 0.457 1.00 0.00 H new ATOM 91 N MET A 24 5.521 -12.136 -0.688 1.00 0.00 N ATOM 92 CA MET A 24 4.203 -12.371 -1.297 1.00 0.00 C ATOM 93 C MET A 24 3.145 -12.739 -0.244 1.00 0.00 C ATOM 94 O MET A 24 2.967 -13.914 0.110 1.00 0.00 O ATOM 95 CB MET A 24 4.297 -13.460 -2.383 1.00 0.00 C ATOM 96 CG MET A 24 4.889 -12.975 -3.706 1.00 0.00 C ATOM 97 SD MET A 24 6.633 -12.517 -3.581 1.00 0.00 S ATOM 98 CE MET A 24 7.435 -14.103 -3.819 1.00 0.00 C ATOM 0 H MET A 24 6.047 -12.983 -0.472 1.00 0.00 H new ATOM 0 HA MET A 24 3.884 -11.439 -1.764 1.00 0.00 H new ATOM 0 HB2 MET A 24 4.905 -14.282 -2.006 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.300 -13.859 -2.569 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.779 -13.759 -4.455 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.319 -12.115 -4.058 1.00 0.00 H new ATOM 0 HE1 MET A 24 8.516 -13.975 -3.767 1.00 0.00 H new ATOM 0 HE2 MET A 24 7.113 -14.794 -3.040 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.163 -14.505 -4.795 1.00 0.00 H new ATOM 108 N ILE A 25 2.459 -11.697 0.263 1.00 0.00 N ATOM 109 CA ILE A 25 1.378 -11.833 1.270 1.00 0.00 C ATOM 110 C ILE A 25 0.414 -10.668 1.053 1.00 0.00 C ATOM 111 O ILE A 25 0.847 -9.517 1.076 1.00 0.00 O ATOM 112 CB ILE A 25 1.884 -11.819 2.770 1.00 0.00 C ATOM 113 CG1 ILE A 25 2.919 -12.923 3.056 1.00 0.00 C ATOM 114 CG2 ILE A 25 0.724 -11.979 3.758 1.00 0.00 C ATOM 115 CD1 ILE A 25 4.355 -12.446 3.006 1.00 0.00 C ATOM 0 H ILE A 25 2.636 -10.731 -0.013 1.00 0.00 H new ATOM 0 HA ILE A 25 0.908 -12.806 1.127 1.00 0.00 H new ATOM 0 HB ILE A 25 2.358 -10.847 2.907 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.721 -13.346 4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.788 -13.727 2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.110 -11.965 4.777 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.018 -11.159 3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.218 -12.927 3.575 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.023 -13.281 3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.572 -12.050 2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.505 -11.664 3.750 1.00 0.00 H new ATOM 127 N TYR A 26 -0.890 -10.947 0.899 1.00 0.00 N ATOM 128 CA TYR A 26 -1.858 -9.872 0.645 1.00 0.00 C ATOM 129 C TYR A 26 -2.292 -9.186 1.940 1.00 0.00 C ATOM 130 O TYR A 26 -3.156 -9.657 2.694 1.00 0.00 O ATOM 131 CB TYR A 26 -3.051 -10.407 -0.155 1.00 0.00 C ATOM 132 CG TYR A 26 -3.961 -9.346 -0.759 1.00 0.00 C ATOM 133 CD1 TYR A 26 -3.714 -8.825 -2.026 1.00 0.00 C ATOM 134 CD2 TYR A 26 -5.069 -8.874 -0.063 1.00 0.00 C ATOM 135 CE1 TYR A 26 -4.540 -7.866 -2.577 1.00 0.00 C ATOM 136 CE2 TYR A 26 -5.900 -7.913 -0.609 1.00 0.00 C ATOM 137 CZ TYR A 26 -5.631 -7.413 -1.867 1.00 0.00 C ATOM 138 OH TYR A 26 -6.457 -6.459 -2.413 1.00 0.00 O ATOM 0 H TYR A 26 -1.290 -11.884 0.945 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.370 -9.107 0.042 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.674 -11.038 -0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.648 -11.045 0.497 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.861 -9.177 -2.588 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.284 -9.265 0.921 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.332 -7.472 -3.561 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.755 -7.556 -0.054 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.178 -6.252 -1.783 1.00 0.00 H new ATOM 148 N ALA A 27 -1.614 -8.070 2.160 1.00 0.00 N ATOM 149 CA ALA A 27 -1.821 -7.188 3.310 1.00 0.00 C ATOM 150 C ALA A 27 -1.886 -5.718 2.851 1.00 0.00 C ATOM 151 O ALA A 27 -1.051 -5.319 2.032 1.00 0.00 O ATOM 152 CB ALA A 27 -0.706 -7.372 4.339 1.00 0.00 C ATOM 0 H ALA A 27 -0.884 -7.739 1.529 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.769 -7.452 3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.879 -6.707 5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.697 -8.406 4.685 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.254 -7.134 3.881 1.00 0.00 H new ATOM 158 N PRO A 28 -2.864 -4.876 3.330 1.00 0.00 N ATOM 159 CA PRO A 28 -2.931 -3.450 2.942 1.00 0.00 C ATOM 160 C PRO A 28 -1.971 -2.569 3.766 1.00 0.00 C ATOM 161 O PRO A 28 -1.950 -2.663 5.000 1.00 0.00 O ATOM 162 CB PRO A 28 -4.396 -3.054 3.227 1.00 0.00 C ATOM 163 CG PRO A 28 -5.081 -4.296 3.724 1.00 0.00 C ATOM 164 CD PRO A 28 -4.000 -5.217 4.219 1.00 0.00 C ATOM 0 HA PRO A 28 -2.634 -3.306 1.903 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.446 -2.259 3.971 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.879 -2.678 2.325 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.782 -4.058 4.524 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.655 -4.767 2.926 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.763 -5.039 5.268 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.286 -6.265 4.130 1.00 0.00 H new ATOM 172 N ILE A 29 -1.170 -1.737 3.079 1.00 0.00 N ATOM 173 CA ILE A 29 -0.220 -0.839 3.766 1.00 0.00 C ATOM 174 C ILE A 29 -0.467 0.627 3.380 1.00 0.00 C ATOM 175 O ILE A 29 -0.705 0.941 2.210 1.00 0.00 O ATOM 176 CB ILE A 29 1.275 -1.223 3.467 1.00 0.00 C ATOM 177 CG1 ILE A 29 1.539 -2.709 3.743 1.00 0.00 C ATOM 178 CG2 ILE A 29 2.256 -0.385 4.288 1.00 0.00 C ATOM 179 CD1 ILE A 29 1.471 -3.578 2.508 1.00 0.00 C ATOM 0 H ILE A 29 -1.159 -1.666 2.062 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.393 -0.959 4.835 1.00 0.00 H new ATOM 0 HB ILE A 29 1.435 -1.017 2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.524 -2.816 4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.811 -3.069 4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.277 -0.683 4.050 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.121 0.670 4.050 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.070 -0.544 5.350 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.668 -4.615 2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.478 -3.502 2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.217 -3.245 1.787 1.00 0.00 H new ATOM 191 N CYS A 30 -0.405 1.507 4.400 1.00 0.00 N ATOM 192 CA CYS A 30 -0.602 2.948 4.222 1.00 0.00 C ATOM 193 C CYS A 30 0.729 3.691 4.322 1.00 0.00 C ATOM 194 O CYS A 30 1.568 3.362 5.167 1.00 0.00 O ATOM 195 CB CYS A 30 -1.572 3.462 5.286 1.00 0.00 C ATOM 196 SG CYS A 30 -2.932 4.476 4.626 1.00 0.00 S ATOM 0 H CYS A 30 -0.217 1.233 5.365 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.019 3.129 3.231 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.994 2.610 5.819 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.016 4.050 6.015 1.00 0.00 H new ATOM 201 N ALA A 31 0.910 4.692 3.443 1.00 0.00 N ATOM 202 CA ALA A 31 2.128 5.503 3.400 1.00 0.00 C ATOM 203 C ALA A 31 1.760 6.961 3.134 1.00 0.00 C ATOM 204 O ALA A 31 1.004 7.249 2.199 1.00 0.00 O ATOM 205 CB ALA A 31 3.089 4.989 2.328 1.00 0.00 C ATOM 0 H ALA A 31 0.214 4.957 2.746 1.00 0.00 H new ATOM 0 HA ALA A 31 2.634 5.430 4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.986 5.608 2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.363 3.958 2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.604 5.034 1.353 1.00 0.00 H new ATOM 211 N THR A 32 2.308 7.874 3.944 1.00 0.00 N ATOM 212 CA THR A 32 2.009 9.304 3.808 1.00 0.00 C ATOM 213 C THR A 32 3.278 10.147 3.685 1.00 0.00 C ATOM 214 O THR A 32 4.246 9.945 4.428 1.00 0.00 O ATOM 215 CB THR A 32 1.133 9.853 4.983 1.00 0.00 C ATOM 216 OG1 THR A 32 0.825 11.238 4.766 1.00 0.00 O ATOM 217 CG2 THR A 32 1.793 9.707 6.357 1.00 0.00 C ATOM 0 H THR A 32 2.958 7.650 4.697 1.00 0.00 H new ATOM 0 HA THR A 32 1.435 9.391 2.885 1.00 0.00 H new ATOM 0 HB THR A 32 0.227 9.247 4.988 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.415 11.612 5.574 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.130 10.108 7.124 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.985 8.653 6.558 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.735 10.256 6.368 1.00 0.00 H new ATOM 225 N ASP A 33 3.246 11.073 2.736 1.00 0.00 N ATOM 226 CA ASP A 33 4.359 12.013 2.528 1.00 0.00 C ATOM 227 C ASP A 33 3.934 13.447 2.930 1.00 0.00 C ATOM 228 O ASP A 33 4.427 14.440 2.372 1.00 0.00 O ATOM 229 CB ASP A 33 4.824 11.959 1.063 1.00 0.00 C ATOM 230 CG ASP A 33 6.298 12.295 0.901 1.00 0.00 C ATOM 231 OD1 ASP A 33 6.618 13.489 0.726 1.00 0.00 O ATOM 232 OD2 ASP A 33 7.128 11.363 0.953 1.00 0.00 O ATOM 0 H ASP A 33 2.464 11.200 2.093 1.00 0.00 H new ATOM 0 HA ASP A 33 5.197 11.723 3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.637 10.962 0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.230 12.656 0.472 1.00 0.00 H new ATOM 237 N GLY A 34 3.030 13.539 3.933 1.00 0.00 N ATOM 238 CA GLY A 34 2.497 14.839 4.391 1.00 0.00 C ATOM 239 C GLY A 34 1.210 15.199 3.651 1.00 0.00 C ATOM 240 O GLY A 34 0.301 15.831 4.199 1.00 0.00 O ATOM 0 H GLY A 34 2.658 12.733 4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.304 14.799 5.463 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.242 15.618 4.230 1.00 0.00 H new ATOM 244 N VAL A 35 1.185 14.767 2.390 1.00 0.00 N ATOM 245 CA VAL A 35 0.087 14.911 1.438 1.00 0.00 C ATOM 246 C VAL A 35 -0.883 13.733 1.603 1.00 0.00 C ATOM 247 O VAL A 35 -0.560 12.787 2.336 1.00 0.00 O ATOM 248 CB VAL A 35 0.612 14.962 -0.028 1.00 0.00 C ATOM 249 CG1 VAL A 35 1.012 16.379 -0.409 1.00 0.00 C ATOM 250 CG2 VAL A 35 1.781 13.996 -0.257 1.00 0.00 C ATOM 0 H VAL A 35 1.981 14.277 1.982 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.428 15.850 1.643 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.207 14.642 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.375 16.391 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.147 17.037 -0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.800 16.726 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.114 14.066 -1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.605 14.258 0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.457 12.976 -0.049 1.00 0.00 H new ATOM 260 N SER A 36 -2.074 13.787 0.961 1.00 0.00 N ATOM 261 CA SER A 36 -3.055 12.690 1.068 1.00 0.00 C ATOM 262 C SER A 36 -2.360 11.369 0.704 1.00 0.00 C ATOM 263 O SER A 36 -1.725 11.246 -0.350 1.00 0.00 O ATOM 264 CB SER A 36 -4.253 12.947 0.145 1.00 0.00 C ATOM 265 OG SER A 36 -5.327 12.066 0.434 1.00 0.00 O ATOM 0 H SER A 36 -2.372 14.566 0.374 1.00 0.00 H new ATOM 0 HA SER A 36 -3.432 12.633 2.089 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.586 13.979 0.257 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.947 12.822 -0.894 1.00 0.00 H new ATOM 0 HG SER A 36 -5.650 12.232 1.344 1.00 0.00 H new ATOM 271 N GLN A 37 -2.499 10.400 1.615 1.00 0.00 N ATOM 272 CA GLN A 37 -1.811 9.101 1.541 1.00 0.00 C ATOM 273 C GLN A 37 -2.444 8.115 0.572 1.00 0.00 C ATOM 274 O GLN A 37 -3.594 8.270 0.146 1.00 0.00 O ATOM 275 CB GLN A 37 -1.706 8.460 2.939 1.00 0.00 C ATOM 276 CG GLN A 37 -2.745 8.918 3.946 1.00 0.00 C ATOM 277 CD GLN A 37 -2.196 9.947 4.912 1.00 0.00 C ATOM 278 OE1 GLN A 37 -1.963 9.650 6.084 1.00 0.00 O ATOM 279 NE2 GLN A 37 -1.947 11.156 4.417 1.00 0.00 N ATOM 0 H GLN A 37 -3.099 10.494 2.435 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.817 9.322 1.151 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.782 7.378 2.830 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.716 8.671 3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.599 9.340 3.417 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.110 8.057 4.505 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.155 11.360 3.440 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.548 11.880 5.015 1.00 0.00 H new ATOM 288 N ARG A 38 -1.643 7.097 0.249 1.00 0.00 N ATOM 289 CA ARG A 38 -2.030 6.044 -0.684 1.00 0.00 C ATOM 290 C ARG A 38 -1.935 4.659 -0.057 1.00 0.00 C ATOM 291 O ARG A 38 -1.160 4.435 0.882 1.00 0.00 O ATOM 292 CB ARG A 38 -1.156 6.104 -1.937 1.00 0.00 C ATOM 293 CG ARG A 38 -1.906 6.597 -3.153 1.00 0.00 C ATOM 294 CD ARG A 38 -1.032 6.586 -4.397 1.00 0.00 C ATOM 295 NE ARG A 38 -1.765 7.026 -5.592 1.00 0.00 N ATOM 296 CZ ARG A 38 -1.305 6.949 -6.851 1.00 0.00 C ATOM 297 NH1 ARG A 38 -0.099 6.448 -7.120 1.00 0.00 N ATOM 298 NH2 ARG A 38 -2.062 7.382 -7.849 1.00 0.00 N ATOM 0 H ARG A 38 -0.704 6.982 0.631 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.072 6.216 -0.952 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.306 6.760 -1.750 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.754 5.112 -2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.782 5.970 -3.319 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.268 7.609 -2.972 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.171 7.236 -4.240 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.646 5.580 -4.559 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.695 7.421 -5.454 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.495 6.113 -6.361 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.230 6.399 -8.084 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.986 7.770 -7.657 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.721 7.328 -8.809 1.00 0.00 H new ATOM 312 N THR A 39 -2.737 3.740 -0.598 1.00 0.00 N ATOM 313 CA THR A 39 -2.778 2.353 -0.138 1.00 0.00 C ATOM 314 C THR A 39 -2.302 1.423 -1.259 1.00 0.00 C ATOM 315 O THR A 39 -2.901 1.383 -2.341 1.00 0.00 O ATOM 316 CB THR A 39 -4.202 1.934 0.329 1.00 0.00 C ATOM 317 OG1 THR A 39 -4.973 3.087 0.694 1.00 0.00 O ATOM 318 CG2 THR A 39 -4.136 0.984 1.523 1.00 0.00 C ATOM 0 H THR A 39 -3.376 3.938 -1.368 1.00 0.00 H new ATOM 0 HA THR A 39 -2.114 2.269 0.722 1.00 0.00 H new ATOM 0 HB THR A 39 -4.680 1.422 -0.506 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.866 2.805 0.983 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.146 0.709 1.826 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.584 0.086 1.244 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.630 1.477 2.353 1.00 0.00 H new ATOM 326 N PHE A 40 -1.214 0.692 -0.985 1.00 0.00 N ATOM 327 CA PHE A 40 -0.619 -0.241 -1.951 1.00 0.00 C ATOM 328 C PHE A 40 -1.049 -1.682 -1.647 1.00 0.00 C ATOM 329 O PHE A 40 -1.533 -1.974 -0.547 1.00 0.00 O ATOM 330 CB PHE A 40 0.925 -0.139 -1.918 1.00 0.00 C ATOM 331 CG PHE A 40 1.506 1.207 -2.339 1.00 0.00 C ATOM 332 CD1 PHE A 40 1.270 2.365 -1.600 1.00 0.00 C ATOM 333 CD2 PHE A 40 2.302 1.304 -3.473 1.00 0.00 C ATOM 334 CE1 PHE A 40 1.808 3.577 -1.986 1.00 0.00 C ATOM 335 CE2 PHE A 40 2.844 2.518 -3.861 1.00 0.00 C ATOM 336 CZ PHE A 40 2.594 3.654 -3.116 1.00 0.00 C ATOM 0 H PHE A 40 -0.723 0.730 -0.092 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.973 0.029 -2.946 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.264 -0.360 -0.906 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.336 -0.911 -2.568 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.657 2.314 -0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.501 0.420 -4.061 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.613 4.465 -1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.461 2.576 -4.745 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.014 4.602 -3.419 1.00 0.00 H new ATOM 346 N SER A 41 -0.863 -2.576 -2.637 1.00 0.00 N ATOM 347 CA SER A 41 -1.214 -3.998 -2.496 1.00 0.00 C ATOM 348 C SER A 41 -0.216 -4.738 -1.589 1.00 0.00 C ATOM 349 O SER A 41 -0.573 -5.737 -0.958 1.00 0.00 O ATOM 350 CB SER A 41 -1.262 -4.664 -3.876 1.00 0.00 C ATOM 351 OG SER A 41 -1.915 -5.923 -3.822 1.00 0.00 O ATOM 0 H SER A 41 -0.470 -2.334 -3.547 1.00 0.00 H new ATOM 0 HA SER A 41 -2.197 -4.056 -2.029 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.782 -4.013 -4.578 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.248 -4.794 -4.254 1.00 0.00 H new ATOM 0 HG SER A 41 -1.931 -6.322 -4.717 1.00 0.00 H new ATOM 357 N ASN A 42 1.035 -4.227 -1.530 1.00 0.00 N ATOM 358 CA ASN A 42 2.116 -4.810 -0.709 1.00 0.00 C ATOM 359 C ASN A 42 3.292 -3.807 -0.588 1.00 0.00 C ATOM 360 O ASN A 42 3.314 -2.821 -1.332 1.00 0.00 O ATOM 361 CB ASN A 42 2.624 -6.154 -1.303 1.00 0.00 C ATOM 362 CG ASN A 42 2.134 -7.352 -0.536 1.00 0.00 C ATOM 363 OD1 ASN A 42 2.689 -7.710 0.502 1.00 0.00 O ATOM 364 ND2 ASN A 42 1.093 -7.991 -1.058 1.00 0.00 N ATOM 0 H ASN A 42 1.322 -3.398 -2.051 1.00 0.00 H new ATOM 0 HA ASN A 42 1.709 -5.014 0.281 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.298 -6.234 -2.340 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.714 -6.154 -1.310 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.719 -8.819 -0.595 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.668 -7.653 -1.922 1.00 0.00 H new ATOM 371 N PRO A 43 4.306 -4.019 0.342 1.00 0.00 N ATOM 372 CA PRO A 43 5.458 -3.088 0.491 1.00 0.00 C ATOM 373 C PRO A 43 6.370 -3.031 -0.746 1.00 0.00 C ATOM 374 O PRO A 43 7.087 -2.047 -0.944 1.00 0.00 O ATOM 375 CB PRO A 43 6.239 -3.655 1.690 1.00 0.00 C ATOM 376 CG PRO A 43 5.274 -4.539 2.396 1.00 0.00 C ATOM 377 CD PRO A 43 4.426 -5.137 1.315 1.00 0.00 C ATOM 0 HA PRO A 43 5.109 -2.064 0.625 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.117 -4.212 1.361 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.594 -2.857 2.343 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.791 -5.312 2.964 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.668 -3.974 3.105 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.896 -6.014 0.869 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.453 -5.453 1.691 1.00 0.00 H new ATOM 385 N CYS A 44 6.311 -4.088 -1.585 1.00 0.00 N ATOM 386 CA CYS A 44 7.121 -4.196 -2.817 1.00 0.00 C ATOM 387 C CYS A 44 6.818 -3.058 -3.811 1.00 0.00 C ATOM 388 O CYS A 44 7.744 -2.459 -4.370 1.00 0.00 O ATOM 389 CB CYS A 44 6.867 -5.560 -3.482 1.00 0.00 C ATOM 390 SG CYS A 44 7.837 -5.864 -5.001 1.00 0.00 S ATOM 0 H CYS A 44 5.701 -4.890 -1.427 1.00 0.00 H new ATOM 0 HA CYS A 44 8.170 -4.109 -2.536 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.090 -6.347 -2.762 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.807 -5.639 -3.723 1.00 0.00 H new ATOM 395 N ASP A 45 5.517 -2.773 -4.015 1.00 0.00 N ATOM 396 CA ASP A 45 5.062 -1.710 -4.929 1.00 0.00 C ATOM 397 C ASP A 45 5.350 -0.302 -4.382 1.00 0.00 C ATOM 398 O ASP A 45 5.541 0.636 -5.164 1.00 0.00 O ATOM 399 CB ASP A 45 3.560 -1.854 -5.217 1.00 0.00 C ATOM 400 CG ASP A 45 3.233 -3.085 -6.049 1.00 0.00 C ATOM 401 OD1 ASP A 45 3.249 -2.982 -7.293 1.00 0.00 O ATOM 402 OD2 ASP A 45 2.963 -4.148 -5.454 1.00 0.00 O ATOM 0 H ASP A 45 4.756 -3.271 -3.553 1.00 0.00 H new ATOM 0 HA ASP A 45 5.627 -1.828 -5.854 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.017 -1.905 -4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.208 -0.964 -5.739 1.00 0.00 H new ATOM 407 N LEU A 46 5.379 -0.164 -3.037 1.00 0.00 N ATOM 408 CA LEU A 46 5.631 1.113 -2.376 1.00 0.00 C ATOM 409 C LEU A 46 7.121 1.465 -2.308 1.00 0.00 C ATOM 410 O LEU A 46 7.531 2.507 -2.812 1.00 0.00 O ATOM 411 CB LEU A 46 5.058 0.970 -0.950 1.00 0.00 C ATOM 412 CG LEU A 46 5.237 2.114 0.079 1.00 0.00 C ATOM 413 CD1 LEU A 46 6.603 2.102 0.759 1.00 0.00 C ATOM 414 CD2 LEU A 46 4.929 3.491 -0.503 1.00 0.00 C ATOM 0 H LEU A 46 5.228 -0.939 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 46 5.163 1.920 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.988 0.788 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.495 0.072 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 46 4.494 1.914 0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.664 2.928 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.737 1.159 1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.385 2.210 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.072 4.251 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.598 3.690 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.896 3.516 -0.850 1.00 0.00 H new ATOM 426 N LYS A 47 7.915 0.549 -1.727 1.00 0.00 N ATOM 427 CA LYS A 47 9.370 0.719 -1.552 1.00 0.00 C ATOM 428 C LYS A 47 10.094 1.034 -2.866 1.00 0.00 C ATOM 429 O LYS A 47 11.065 1.797 -2.881 1.00 0.00 O ATOM 430 CB LYS A 47 9.933 -0.545 -0.910 1.00 0.00 C ATOM 431 CG LYS A 47 9.697 -0.611 0.591 1.00 0.00 C ATOM 432 CD LYS A 47 9.407 -2.032 1.044 1.00 0.00 C ATOM 433 CE LYS A 47 9.458 -2.161 2.558 1.00 0.00 C ATOM 434 NZ LYS A 47 9.237 -3.564 3.005 1.00 0.00 N ATOM 0 H LYS A 47 7.564 -0.337 -1.363 1.00 0.00 H new ATOM 0 HA LYS A 47 9.539 1.580 -0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.479 -1.417 -1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.004 -0.598 -1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.574 -0.232 1.116 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.861 0.036 0.858 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.423 -2.334 0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.132 -2.712 0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.426 -1.813 2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.701 -1.515 3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.438 -3.595 3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.024 -4.162 2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.094 -3.917 3.477 1.00 0.00 H new ATOM 448 N VAL A 48 9.604 0.432 -3.954 1.00 0.00 N ATOM 449 CA VAL A 48 10.128 0.663 -5.305 1.00 0.00 C ATOM 450 C VAL A 48 9.723 2.060 -5.821 1.00 0.00 C ATOM 451 O VAL A 48 10.516 2.746 -6.460 1.00 0.00 O ATOM 452 CB VAL A 48 9.652 -0.479 -6.262 1.00 0.00 C ATOM 453 CG1 VAL A 48 8.388 -0.150 -7.065 1.00 0.00 C ATOM 454 CG2 VAL A 48 10.782 -0.916 -7.186 1.00 0.00 C ATOM 0 H VAL A 48 8.830 -0.232 -3.923 1.00 0.00 H new ATOM 0 HA VAL A 48 11.217 0.642 -5.275 1.00 0.00 H new ATOM 0 HB VAL A 48 9.373 -1.307 -5.610 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.130 -0.997 -7.701 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.565 0.053 -6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.569 0.728 -7.685 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.428 -1.711 -7.843 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.109 -0.068 -7.787 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.618 -1.283 -6.590 1.00 0.00 H new ATOM 464 N TYR A 49 8.495 2.471 -5.457 1.00 0.00 N ATOM 465 CA TYR A 49 7.897 3.753 -5.884 1.00 0.00 C ATOM 466 C TYR A 49 8.690 4.976 -5.382 1.00 0.00 C ATOM 467 O TYR A 49 9.080 5.827 -6.174 1.00 0.00 O ATOM 468 CB TYR A 49 6.435 3.825 -5.396 1.00 0.00 C ATOM 469 CG TYR A 49 5.520 4.688 -6.252 1.00 0.00 C ATOM 470 CD1 TYR A 49 5.371 6.047 -5.995 1.00 0.00 C ATOM 471 CD2 TYR A 49 4.805 4.141 -7.313 1.00 0.00 C ATOM 472 CE1 TYR A 49 4.538 6.834 -6.768 1.00 0.00 C ATOM 473 CE2 TYR A 49 3.971 4.922 -8.090 1.00 0.00 C ATOM 474 CZ TYR A 49 3.843 6.267 -7.814 1.00 0.00 C ATOM 475 OH TYR A 49 3.013 7.047 -8.586 1.00 0.00 O ATOM 0 H TYR A 49 7.884 1.920 -4.854 1.00 0.00 H new ATOM 0 HA TYR A 49 7.930 3.785 -6.973 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.029 2.814 -5.359 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.425 4.210 -4.376 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.916 6.495 -5.177 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.904 3.088 -7.533 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.433 7.887 -6.553 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.422 4.481 -8.909 1.00 0.00 H new ATOM 0 HH TYR A 49 2.599 6.495 -9.282 1.00 0.00 H new ATOM 485 N ASN A 50 8.948 5.016 -4.072 1.00 0.00 N ATOM 486 CA ASN A 50 9.680 6.126 -3.412 1.00 0.00 C ATOM 487 C ASN A 50 11.132 6.247 -3.883 1.00 0.00 C ATOM 488 O ASN A 50 11.693 7.348 -3.917 1.00 0.00 O ATOM 489 CB ASN A 50 9.650 5.969 -1.881 1.00 0.00 C ATOM 490 CG ASN A 50 9.251 4.583 -1.431 1.00 0.00 C ATOM 491 OD1 ASN A 50 10.100 3.712 -1.241 1.00 0.00 O ATOM 492 ND2 ASN A 50 7.954 4.370 -1.254 1.00 0.00 N ATOM 0 H ASN A 50 8.658 4.281 -3.427 1.00 0.00 H new ATOM 0 HA ASN A 50 9.163 7.041 -3.700 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.635 6.205 -1.479 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.953 6.695 -1.462 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.625 3.454 -0.948 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.286 5.122 -1.424 1.00 0.00 H new ATOM 499 N CYS A 51 11.717 5.102 -4.238 1.00 0.00 N ATOM 500 CA CYS A 51 13.114 5.007 -4.692 1.00 0.00 C ATOM 501 C CYS A 51 13.378 5.750 -6.019 1.00 0.00 C ATOM 502 O CYS A 51 14.256 6.618 -6.070 1.00 0.00 O ATOM 503 CB CYS A 51 13.498 3.530 -4.826 1.00 0.00 C ATOM 504 SG CYS A 51 15.255 3.225 -5.231 1.00 0.00 S ATOM 0 H CYS A 51 11.234 4.204 -4.220 1.00 0.00 H new ATOM 0 HA CYS A 51 13.733 5.498 -3.942 1.00 0.00 H new ATOM 0 HB2 CYS A 51 13.262 3.022 -3.891 1.00 0.00 H new ATOM 0 HB3 CYS A 51 12.878 3.077 -5.600 1.00 0.00 H new ATOM 509 N TRP A 52 12.620 5.407 -7.075 1.00 0.00 N ATOM 510 CA TRP A 52 12.816 6.028 -8.403 1.00 0.00 C ATOM 511 C TRP A 52 11.930 7.259 -8.696 1.00 0.00 C ATOM 512 O TRP A 52 12.137 7.946 -9.704 1.00 0.00 O ATOM 513 CB TRP A 52 12.742 4.967 -9.507 1.00 0.00 C ATOM 514 CG TRP A 52 11.448 4.227 -9.703 1.00 0.00 C ATOM 515 CD1 TRP A 52 11.094 3.028 -9.165 1.00 0.00 C ATOM 516 CD2 TRP A 52 10.380 4.618 -10.557 1.00 0.00 C ATOM 517 NE1 TRP A 52 9.853 2.652 -9.628 1.00 0.00 N ATOM 518 CE2 TRP A 52 9.396 3.616 -10.488 1.00 0.00 C ATOM 519 CE3 TRP A 52 10.162 5.731 -11.367 1.00 0.00 C ATOM 520 CZ2 TRP A 52 8.206 3.695 -11.211 1.00 0.00 C ATOM 521 CZ3 TRP A 52 8.985 5.813 -12.080 1.00 0.00 C ATOM 522 CH2 TRP A 52 8.020 4.799 -12.002 1.00 0.00 C ATOM 0 H TRP A 52 11.874 4.712 -7.040 1.00 0.00 H new ATOM 0 HA TRP A 52 13.822 6.448 -8.387 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.993 5.452 -10.450 1.00 0.00 H new ATOM 0 HB3 TRP A 52 13.520 4.229 -9.311 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.698 2.456 -8.476 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.357 1.798 -9.373 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.902 6.515 -11.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 7.460 2.917 -11.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 8.803 6.672 -12.709 1.00 0.00 H new ATOM 0 HH2 TRP A 52 7.111 4.890 -12.577 1.00 0.00 H new ATOM 533 N ASN A 53 10.956 7.507 -7.827 1.00 0.00 N ATOM 534 CA ASN A 53 10.058 8.671 -7.926 1.00 0.00 C ATOM 535 C ASN A 53 10.469 9.768 -6.908 1.00 0.00 C ATOM 536 O ASN A 53 9.992 9.761 -5.762 1.00 0.00 O ATOM 537 CB ASN A 53 8.591 8.262 -7.696 1.00 0.00 C ATOM 538 CG ASN A 53 8.041 7.358 -8.782 1.00 0.00 C ATOM 539 OD1 ASN A 53 7.102 7.718 -9.493 1.00 0.00 O ATOM 540 ND2 ASN A 53 8.629 6.179 -8.915 1.00 0.00 N ATOM 0 H ASN A 53 10.759 6.907 -7.026 1.00 0.00 H new ATOM 0 HA ASN A 53 10.148 9.074 -8.935 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.509 7.754 -6.735 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.976 9.160 -7.635 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.307 5.526 -9.630 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.404 5.924 -8.303 1.00 0.00 H new ATOM 547 N PRO A 54 11.391 10.714 -7.290 1.00 0.00 N ATOM 548 CA PRO A 54 11.842 11.816 -6.393 1.00 0.00 C ATOM 549 C PRO A 54 10.772 12.901 -6.143 1.00 0.00 C ATOM 550 O PRO A 54 10.670 13.436 -5.035 1.00 0.00 O ATOM 551 CB PRO A 54 13.038 12.411 -7.159 1.00 0.00 C ATOM 552 CG PRO A 54 12.727 12.136 -8.592 1.00 0.00 C ATOM 553 CD PRO A 54 12.099 10.772 -8.597 1.00 0.00 C ATOM 0 HA PRO A 54 12.075 11.444 -5.395 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.139 13.480 -6.971 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.976 11.944 -6.858 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.048 12.885 -9.000 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.629 12.158 -9.203 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.410 10.650 -9.433 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.848 9.985 -8.684 1.00 0.00 H new ATOM 561 N ASP A 55 9.991 13.208 -7.197 1.00 0.00 N ATOM 562 CA ASP A 55 8.928 14.233 -7.145 1.00 0.00 C ATOM 563 C ASP A 55 7.669 13.777 -6.386 1.00 0.00 C ATOM 564 O ASP A 55 6.989 14.610 -5.776 1.00 0.00 O ATOM 565 CB ASP A 55 8.538 14.663 -8.562 1.00 0.00 C ATOM 566 CG ASP A 55 9.574 15.565 -9.209 1.00 0.00 C ATOM 567 OD1 ASP A 55 10.503 15.034 -9.854 1.00 0.00 O ATOM 568 OD2 ASP A 55 9.458 16.800 -9.068 1.00 0.00 O ATOM 0 H ASP A 55 10.078 12.754 -8.106 1.00 0.00 H new ATOM 0 HA ASP A 55 9.347 15.073 -6.591 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.398 13.776 -9.180 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.580 15.183 -8.529 1.00 0.00 H new ATOM 573 N ASN A 56 7.362 12.465 -6.423 1.00 0.00 N ATOM 574 CA ASN A 56 6.183 11.921 -5.735 1.00 0.00 C ATOM 575 C ASN A 56 6.535 10.695 -4.844 1.00 0.00 C ATOM 576 O ASN A 56 6.060 9.579 -5.107 1.00 0.00 O ATOM 577 CB ASN A 56 5.106 11.555 -6.770 1.00 0.00 C ATOM 578 CG ASN A 56 4.250 12.743 -7.163 1.00 0.00 C ATOM 579 OD1 ASN A 56 4.568 13.467 -8.107 1.00 0.00 O ATOM 580 ND2 ASN A 56 3.157 12.951 -6.439 1.00 0.00 N ATOM 0 H ASN A 56 7.915 11.767 -6.921 1.00 0.00 H new ATOM 0 HA ASN A 56 5.797 12.691 -5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.586 11.147 -7.660 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.468 10.770 -6.363 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.543 13.736 -6.657 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.931 12.326 -5.665 1.00 0.00 H new ATOM 587 N PRO A 57 7.387 10.864 -3.770 1.00 0.00 N ATOM 588 CA PRO A 57 7.765 9.759 -2.858 1.00 0.00 C ATOM 589 C PRO A 57 6.724 9.496 -1.755 1.00 0.00 C ATOM 590 O PRO A 57 5.936 10.387 -1.422 1.00 0.00 O ATOM 591 CB PRO A 57 9.090 10.244 -2.229 1.00 0.00 C ATOM 592 CG PRO A 57 9.387 11.581 -2.845 1.00 0.00 C ATOM 593 CD PRO A 57 8.077 12.107 -3.363 1.00 0.00 C ATOM 0 HA PRO A 57 7.843 8.815 -3.398 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.998 10.327 -1.146 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.896 9.537 -2.427 1.00 0.00 H new ATOM 0 HG2 PRO A 57 9.816 12.262 -2.109 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.114 11.485 -3.652 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.523 12.649 -2.597 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.214 12.791 -4.201 1.00 0.00 H new ATOM 601 N TYR A 58 6.720 8.266 -1.209 1.00 0.00 N ATOM 602 CA TYR A 58 5.801 7.893 -0.125 1.00 0.00 C ATOM 603 C TYR A 58 6.560 7.183 0.992 1.00 0.00 C ATOM 604 O TYR A 58 7.440 6.358 0.722 1.00 0.00 O ATOM 605 CB TYR A 58 4.664 6.997 -0.643 1.00 0.00 C ATOM 606 CG TYR A 58 3.635 7.719 -1.495 1.00 0.00 C ATOM 607 CD1 TYR A 58 3.790 7.816 -2.876 1.00 0.00 C ATOM 608 CD2 TYR A 58 2.510 8.299 -0.921 1.00 0.00 C ATOM 609 CE1 TYR A 58 2.853 8.469 -3.654 1.00 0.00 C ATOM 610 CE2 TYR A 58 1.571 8.954 -1.694 1.00 0.00 C ATOM 611 CZ TYR A 58 1.747 9.037 -3.058 1.00 0.00 C ATOM 612 OH TYR A 58 0.813 9.688 -3.831 1.00 0.00 O ATOM 0 H TYR A 58 7.345 7.515 -1.503 1.00 0.00 H new ATOM 0 HA TYR A 58 5.359 8.808 0.270 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.096 6.184 -1.227 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.158 6.543 0.209 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.656 7.374 -3.346 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.367 8.237 0.148 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.986 8.534 -4.724 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.703 9.399 -1.231 1.00 0.00 H new ATOM 0 HH TYR A 58 0.095 10.030 -3.258 1.00 0.00 H new ATOM 622 N LYS A 59 6.211 7.509 2.244 1.00 0.00 N ATOM 623 CA LYS A 59 6.861 6.918 3.412 1.00 0.00 C ATOM 624 C LYS A 59 5.853 6.096 4.210 1.00 0.00 C ATOM 625 O LYS A 59 4.742 6.562 4.477 1.00 0.00 O ATOM 626 CB LYS A 59 7.493 8.010 4.286 1.00 0.00 C ATOM 627 CG LYS A 59 8.674 8.724 3.638 1.00 0.00 C ATOM 628 CD LYS A 59 9.104 9.934 4.451 1.00 0.00 C ATOM 629 CE LYS A 59 10.320 10.612 3.842 1.00 0.00 C ATOM 630 NZ LYS A 59 10.754 11.793 4.638 1.00 0.00 N ATOM 0 H LYS A 59 5.479 8.182 2.470 1.00 0.00 H new ATOM 0 HA LYS A 59 7.658 6.255 3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.730 8.747 4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.823 7.563 5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.511 8.032 3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.403 9.039 2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.280 10.646 4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.331 9.626 5.471 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.140 9.897 3.777 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.089 10.925 2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.586 12.227 4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.981 12.487 4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.999 11.491 5.602 1.00 0.00 H new ATOM 644 N GLU A 60 6.266 4.883 4.610 1.00 0.00 N ATOM 645 CA GLU A 60 5.400 3.936 5.329 1.00 0.00 C ATOM 646 C GLU A 60 5.140 4.299 6.802 1.00 0.00 C ATOM 647 O GLU A 60 6.058 4.328 7.631 1.00 0.00 O ATOM 648 CB GLU A 60 6.003 2.533 5.237 1.00 0.00 C ATOM 649 CG GLU A 60 5.211 1.592 4.351 1.00 0.00 C ATOM 650 CD GLU A 60 5.898 0.253 4.159 1.00 0.00 C ATOM 651 OE1 GLU A 60 6.712 0.132 3.219 1.00 0.00 O ATOM 652 OE2 GLU A 60 5.623 -0.674 4.948 1.00 0.00 O ATOM 0 H GLU A 60 7.209 4.532 4.444 1.00 0.00 H new ATOM 0 HA GLU A 60 4.426 3.981 4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.021 2.608 4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.068 2.108 6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.226 1.431 4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.056 2.059 3.378 1.00 0.00 H new ATOM 659 N VAL A 61 3.857 4.581 7.092 1.00 0.00 N ATOM 660 CA VAL A 61 3.372 4.902 8.449 1.00 0.00 C ATOM 661 C VAL A 61 3.010 3.636 9.237 1.00 0.00 C ATOM 662 O VAL A 61 3.404 3.497 10.401 1.00 0.00 O ATOM 663 CB VAL A 61 2.106 5.827 8.450 1.00 0.00 C ATOM 664 CG1 VAL A 61 2.465 7.247 8.827 1.00 0.00 C ATOM 665 CG2 VAL A 61 1.356 5.812 7.115 1.00 0.00 C ATOM 0 H VAL A 61 3.121 4.593 6.386 1.00 0.00 H new ATOM 0 HA VAL A 61 4.203 5.428 8.920 1.00 0.00 H new ATOM 0 HB VAL A 61 1.434 5.417 9.204 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.566 7.864 8.819 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.904 7.259 9.825 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.184 7.643 8.110 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.490 6.471 7.177 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.019 6.158 6.322 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.025 4.797 6.895 1.00 0.00 H new ATOM 675 N LYS A 62 2.255 2.717 8.592 1.00 0.00 N ATOM 676 CA LYS A 62 1.803 1.457 9.230 1.00 0.00 C ATOM 677 C LYS A 62 1.187 0.508 8.194 1.00 0.00 C ATOM 678 O LYS A 62 0.925 0.916 7.056 1.00 0.00 O ATOM 679 CB LYS A 62 0.726 1.774 10.294 1.00 0.00 C ATOM 680 CG LYS A 62 0.723 0.847 11.516 1.00 0.00 C ATOM 681 CD LYS A 62 -0.428 -0.152 11.461 1.00 0.00 C ATOM 682 CE LYS A 62 -0.412 -1.106 12.649 1.00 0.00 C ATOM 683 NZ LYS A 62 -0.924 -0.468 13.897 1.00 0.00 N ATOM 0 H LYS A 62 1.945 2.825 7.626 1.00 0.00 H new ATOM 0 HA LYS A 62 2.670 0.980 9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.867 2.799 10.636 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.255 1.728 9.820 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.670 0.309 11.568 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.645 1.443 12.425 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.375 0.387 11.441 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.368 -0.724 10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.018 -1.982 12.417 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.606 -1.458 12.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.893 -1.156 14.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.331 0.352 14.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.905 -0.155 13.750 1.00 0.00 H new ATOM 697 N VAL A 63 0.954 -0.765 8.596 1.00 0.00 N ATOM 698 CA VAL A 63 0.297 -1.727 7.708 1.00 0.00 C ATOM 699 C VAL A 63 -1.193 -1.758 8.087 1.00 0.00 C ATOM 700 O VAL A 63 -1.601 -2.394 9.068 1.00 0.00 O ATOM 701 CB VAL A 63 0.942 -3.154 7.805 1.00 0.00 C ATOM 702 CG1 VAL A 63 0.250 -4.169 6.885 1.00 0.00 C ATOM 703 CG2 VAL A 63 2.427 -3.094 7.470 1.00 0.00 C ATOM 0 H VAL A 63 1.209 -1.134 9.512 1.00 0.00 H new ATOM 0 HA VAL A 63 0.421 -1.417 6.670 1.00 0.00 H new ATOM 0 HB VAL A 63 0.810 -3.490 8.834 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.732 -5.141 6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.801 -4.254 7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.326 -3.834 5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.857 -4.093 7.543 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.556 -2.716 6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.932 -2.430 8.172 1.00 0.00 H new ATOM 713 N GLY A 64 -1.971 -1.031 7.287 1.00 0.00 N ATOM 714 CA GLY A 64 -3.408 -0.920 7.487 1.00 0.00 C ATOM 715 C GLY A 64 -4.028 0.076 6.524 1.00 0.00 C ATOM 716 O GLY A 64 -3.438 0.404 5.487 1.00 0.00 O ATOM 0 H GLY A 64 -1.621 -0.506 6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.872 -1.897 7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.611 -0.611 8.512 1.00 0.00 H new ATOM 720 N GLU A 65 -5.231 0.543 6.876 1.00 0.00 N ATOM 721 CA GLU A 65 -5.928 1.571 6.108 1.00 0.00 C ATOM 722 C GLU A 65 -5.991 2.838 6.961 1.00 0.00 C ATOM 723 O GLU A 65 -6.633 2.857 8.021 1.00 0.00 O ATOM 724 CB GLU A 65 -7.331 1.123 5.704 1.00 0.00 C ATOM 725 CG GLU A 65 -7.637 1.344 4.231 1.00 0.00 C ATOM 726 CD GLU A 65 -8.957 0.727 3.811 1.00 0.00 C ATOM 727 OE1 GLU A 65 -9.992 1.420 3.901 1.00 0.00 O ATOM 728 OE2 GLU A 65 -8.955 -0.449 3.392 1.00 0.00 O ATOM 0 H GLU A 65 -5.743 0.219 7.697 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.383 1.761 5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.447 0.064 5.936 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.063 1.663 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.658 2.414 4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.834 0.919 3.629 1.00 0.00 H new ATOM 735 N CYS A 66 -5.302 3.880 6.500 1.00 0.00 N ATOM 736 CA CYS A 66 -5.220 5.144 7.227 1.00 0.00 C ATOM 737 C CYS A 66 -6.043 6.260 6.576 1.00 0.00 C ATOM 738 O CYS A 66 -6.284 6.250 5.364 1.00 0.00 O ATOM 739 CB CYS A 66 -3.746 5.561 7.363 1.00 0.00 C ATOM 740 SG CYS A 66 -2.941 6.117 5.820 1.00 0.00 S ATOM 0 H CYS A 66 -4.789 3.872 5.619 1.00 0.00 H new ATOM 0 HA CYS A 66 -5.652 4.985 8.215 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -3.680 6.364 8.097 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.183 4.717 7.762 1.00 0.00 H new ATOM 745 N ASP A 67 -6.461 7.219 7.416 1.00 0.00 N ATOM 746 CA ASP A 67 -7.251 8.378 6.990 1.00 0.00 C ATOM 747 C ASP A 67 -6.378 9.646 6.957 1.00 0.00 C ATOM 748 O ASP A 67 -5.211 9.613 7.367 1.00 0.00 O ATOM 749 CB ASP A 67 -8.452 8.570 7.932 1.00 0.00 C ATOM 750 CG ASP A 67 -9.556 7.555 7.691 1.00 0.00 C ATOM 751 OD1 ASP A 67 -9.522 6.478 8.322 1.00 0.00 O ATOM 752 OD2 ASP A 67 -10.455 7.841 6.872 1.00 0.00 O ATOM 0 H ASP A 67 -6.258 7.210 8.415 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.623 8.198 5.981 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.114 8.494 8.965 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.854 9.575 7.802 1.00 0.00 H new ATOM 757 N ASP A 68 -6.954 10.766 6.468 1.00 0.00 N ATOM 758 CA ASP A 68 -6.244 12.061 6.366 1.00 0.00 C ATOM 759 C ASP A 68 -6.045 12.751 7.738 1.00 0.00 C ATOM 760 O ASP A 68 -5.320 13.749 7.835 1.00 0.00 O ATOM 761 CB ASP A 68 -7.003 12.999 5.418 1.00 0.00 C ATOM 762 CG ASP A 68 -6.804 12.639 3.957 1.00 0.00 C ATOM 763 OD1 ASP A 68 -7.597 11.829 3.431 1.00 0.00 O ATOM 764 OD2 ASP A 68 -5.856 13.169 3.337 1.00 0.00 O ATOM 0 H ASP A 68 -7.918 10.799 6.135 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.251 11.847 5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.066 12.966 5.655 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.671 14.024 5.584 1.00 0.00 H new ATOM 769 N ALA A 69 -6.681 12.198 8.788 1.00 0.00 N ATOM 770 CA ALA A 69 -6.586 12.742 10.152 1.00 0.00 C ATOM 771 C ALA A 69 -5.477 12.050 10.980 1.00 0.00 C ATOM 772 O ALA A 69 -5.376 12.257 12.198 1.00 0.00 O ATOM 773 CB ALA A 69 -7.940 12.619 10.844 1.00 0.00 C ATOM 0 H ALA A 69 -7.270 11.369 8.714 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.310 13.794 10.080 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.870 13.022 11.854 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.688 13.178 10.282 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.231 11.569 10.891 1.00 0.00 H new ATOM 779 N ASN A 70 -4.634 11.252 10.299 1.00 0.00 N ATOM 780 CA ASN A 70 -3.538 10.526 10.937 1.00 0.00 C ATOM 781 C ASN A 70 -2.206 11.255 10.725 1.00 0.00 C ATOM 782 O ASN A 70 -1.989 11.885 9.684 1.00 0.00 O ATOM 783 CB ASN A 70 -3.458 9.099 10.377 1.00 0.00 C ATOM 784 CG ASN A 70 -3.010 8.082 11.415 1.00 0.00 C ATOM 785 OD1 ASN A 70 -3.832 7.495 12.119 1.00 0.00 O ATOM 786 ND2 ASN A 70 -1.704 7.872 11.514 1.00 0.00 N ATOM 0 H ASN A 70 -4.699 11.097 9.293 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.733 10.477 12.008 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.435 8.810 9.990 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.765 9.082 9.536 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.345 7.202 12.194 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.058 8.381 10.910 1.00 0.00 H new ATOM 793 N LYS A 71 -1.330 11.149 11.727 1.00 0.00 N ATOM 794 CA LYS A 71 -0.001 11.786 11.701 1.00 0.00 C ATOM 795 C LYS A 71 1.093 10.811 11.185 1.00 0.00 C ATOM 796 O LYS A 71 0.931 9.594 11.329 1.00 0.00 O ATOM 797 CB LYS A 71 0.376 12.352 13.101 1.00 0.00 C ATOM 798 CG LYS A 71 0.293 11.361 14.279 1.00 0.00 C ATOM 799 CD LYS A 71 -1.067 11.409 14.973 1.00 0.00 C ATOM 800 CE LYS A 71 -1.156 10.405 16.118 1.00 0.00 C ATOM 801 NZ LYS A 71 -0.448 10.880 17.342 1.00 0.00 N ATOM 0 H LYS A 71 -1.517 10.621 12.580 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.055 12.619 11.001 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.393 12.741 13.051 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.278 13.197 13.317 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.479 10.350 13.916 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.077 11.590 15.001 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.244 12.414 15.357 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.853 11.202 14.247 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.204 10.220 16.355 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.728 9.454 15.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.535 10.166 18.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.557 11.032 17.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.872 11.774 17.663 1.00 0.00 H new ATOM 815 N PRO A 72 2.232 11.318 10.580 1.00 0.00 N ATOM 816 CA PRO A 72 3.318 10.450 10.058 1.00 0.00 C ATOM 817 C PRO A 72 4.207 9.849 11.157 1.00 0.00 C ATOM 818 O PRO A 72 4.521 10.519 12.148 1.00 0.00 O ATOM 819 CB PRO A 72 4.157 11.394 9.171 1.00 0.00 C ATOM 820 CG PRO A 72 3.374 12.664 9.068 1.00 0.00 C ATOM 821 CD PRO A 72 2.555 12.744 10.323 1.00 0.00 C ATOM 0 HA PRO A 72 2.901 9.591 9.533 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.138 11.574 9.611 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.325 10.958 8.186 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.036 13.525 8.978 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.736 12.659 8.184 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.114 13.189 11.146 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.657 13.346 10.185 1.00 0.00 H new ATOM 829 N VAL A 73 4.597 8.578 10.963 1.00 0.00 N ATOM 830 CA VAL A 73 5.460 7.857 11.913 1.00 0.00 C ATOM 831 C VAL A 73 6.591 7.009 11.231 1.00 0.00 C ATOM 832 O VAL A 73 7.309 6.312 11.961 1.00 0.00 O ATOM 833 CB VAL A 73 4.654 6.955 12.916 1.00 0.00 C ATOM 834 CG1 VAL A 73 4.059 7.802 14.033 1.00 0.00 C ATOM 835 CG2 VAL A 73 3.549 6.134 12.238 1.00 0.00 C ATOM 0 H VAL A 73 4.325 8.025 10.150 1.00 0.00 H new ATOM 0 HA VAL A 73 5.943 8.655 12.477 1.00 0.00 H new ATOM 0 HB VAL A 73 5.369 6.244 13.330 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.504 7.162 14.719 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.860 8.305 14.574 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.386 8.546 13.606 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.031 5.533 12.986 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.839 6.807 11.757 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.991 5.478 11.488 1.00 0.00 H new