USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 144:sc= 1.3 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.09 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= 1.23 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.92) 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 -63:sc= 1.25 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.04! C(o=-1!,f=-6.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.215 K(o=-0.22,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.274 K(o=-0.27,f=-4.7!) USER MOD Single : A 41 GLN : amide:sc= -0.0581 K(o=-0.058,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00959 K(o=-0.0096,f=-0.93) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -140:sc= -0.141 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0676 X(o=-0.068,f=-0.13) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= -0.018 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.139 -8.574 -1.377 1.00 0.00 N ATOM 2 CA MET A 1 11.589 -9.064 -2.650 1.00 0.00 C ATOM 3 C MET A 1 10.176 -8.535 -2.858 1.00 0.00 C ATOM 4 O MET A 1 9.927 -7.781 -3.797 1.00 0.00 O ATOM 5 CB MET A 1 11.602 -10.592 -2.688 1.00 0.00 C ATOM 6 CG MET A 1 11.155 -11.076 -4.065 1.00 0.00 C ATOM 7 SD MET A 1 11.093 -12.877 -4.224 1.00 0.00 S ATOM 8 CE MET A 1 10.464 -12.989 -5.918 1.00 0.00 C ATOM 0 H1 MET A 1 13.177 -8.629 -1.403 1.00 0.00 H new ATOM 0 H2 MET A 1 11.848 -7.586 -1.231 1.00 0.00 H new ATOM 0 H3 MET A 1 11.781 -9.160 -0.596 1.00 0.00 H new ATOM 0 HA MET A 1 12.217 -8.696 -3.461 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.604 -10.962 -2.469 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.940 -10.990 -1.919 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.167 -10.668 -4.280 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.835 -10.678 -4.818 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.358 -14.037 -6.198 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.493 -12.497 -5.979 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.162 -12.500 -6.598 1.00 0.00 H new ATOM 18 N GLN A 2 9.248 -8.943 -1.988 1.00 0.00 N ATOM 19 CA GLN A 2 7.859 -8.527 -2.074 1.00 0.00 C ATOM 20 C GLN A 2 7.398 -8.039 -0.708 1.00 0.00 C ATOM 21 O GLN A 2 8.126 -8.163 0.274 1.00 0.00 O ATOM 22 CB GLN A 2 7.007 -9.710 -2.534 1.00 0.00 C ATOM 23 CG GLN A 2 7.250 -9.979 -4.018 1.00 0.00 C ATOM 24 CD GLN A 2 6.490 -11.214 -4.484 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.306 -12.160 -3.720 1.00 0.00 O ATOM 26 NE2 GLN A 2 6.063 -11.213 -5.747 1.00 0.00 N ATOM 0 H GLN A 2 9.445 -9.570 -1.208 1.00 0.00 H new ATOM 0 HA GLN A 2 7.754 -7.715 -2.794 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.254 -10.596 -1.950 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.952 -9.498 -2.362 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.938 -9.114 -4.603 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.317 -10.116 -4.196 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.239 -10.405 -6.344 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.560 -12.020 -6.116 1.00 0.00 H new ATOM 35 N ILE A 3 6.164 -7.538 -0.637 1.00 0.00 N ATOM 36 CA ILE A 3 5.578 -7.110 0.620 1.00 0.00 C ATOM 37 C ILE A 3 4.144 -7.621 0.713 1.00 0.00 C ATOM 38 O ILE A 3 3.627 -8.197 -0.242 1.00 0.00 O ATOM 39 CB ILE A 3 5.633 -5.583 0.731 1.00 0.00 C ATOM 40 CG1 ILE A 3 4.816 -4.948 -0.395 1.00 0.00 C ATOM 41 CG2 ILE A 3 7.084 -5.109 0.646 1.00 0.00 C ATOM 42 CD1 ILE A 3 4.790 -3.429 -0.235 1.00 0.00 C ATOM 0 H ILE A 3 5.553 -7.421 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 3 6.146 -7.526 1.452 1.00 0.00 H new ATOM 0 HB ILE A 3 5.212 -5.282 1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.247 -5.212 -1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.799 -5.340 -0.382 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.117 -4.022 0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.659 -5.550 1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.512 -5.416 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.205 -2.988 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.338 -3.172 0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.808 -3.042 -0.271 1.00 0.00 H new ATOM 54 N PHE A 4 3.492 -7.388 1.855 1.00 0.00 N ATOM 55 CA PHE A 4 2.127 -7.828 2.067 1.00 0.00 C ATOM 56 C PHE A 4 1.273 -6.674 2.567 1.00 0.00 C ATOM 57 O PHE A 4 1.486 -6.159 3.662 1.00 0.00 O ATOM 58 CB PHE A 4 2.087 -9.008 3.038 1.00 0.00 C ATOM 59 CG PHE A 4 2.479 -10.329 2.412 1.00 0.00 C ATOM 60 CD1 PHE A 4 1.515 -11.082 1.730 1.00 0.00 C ATOM 61 CD2 PHE A 4 3.771 -10.844 2.580 1.00 0.00 C ATOM 62 CE1 PHE A 4 1.847 -12.333 1.196 1.00 0.00 C ATOM 63 CE2 PHE A 4 4.105 -12.093 2.042 1.00 0.00 C ATOM 64 CZ PHE A 4 3.144 -12.837 1.347 1.00 0.00 C ATOM 0 H PHE A 4 3.899 -6.892 2.648 1.00 0.00 H new ATOM 0 HA PHE A 4 1.716 -8.166 1.116 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.755 -8.801 3.874 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.081 -9.095 3.448 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.513 -10.697 1.616 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.511 -10.277 3.125 1.00 0.00 H new ATOM 0 HE1 PHE A 4 1.102 -12.909 0.667 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.105 -12.483 2.163 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.403 -13.798 0.928 1.00 0.00 H new ATOM 74 N VAL A 5 0.309 -6.264 1.740 1.00 0.00 N ATOM 75 CA VAL A 5 -0.626 -5.213 2.080 1.00 0.00 C ATOM 76 C VAL A 5 -1.927 -5.861 2.526 1.00 0.00 C ATOM 77 O VAL A 5 -2.543 -6.600 1.763 1.00 0.00 O ATOM 78 CB VAL A 5 -0.849 -4.317 0.860 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.923 -3.277 1.172 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.456 -3.607 0.501 1.00 0.00 C ATOM 0 H VAL A 5 0.162 -6.661 0.812 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.237 -4.593 2.888 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.174 -4.931 0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.078 -2.641 0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.856 -3.782 1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.603 -2.665 2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.296 -2.969 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.782 -2.997 1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.222 -4.348 0.271 1.00 0.00 H new ATOM 90 N LYS A 6 -2.315 -5.638 3.782 1.00 0.00 N ATOM 91 CA LYS A 6 -3.500 -6.266 4.328 1.00 0.00 C ATOM 92 C LYS A 6 -4.631 -5.251 4.379 1.00 0.00 C ATOM 93 O LYS A 6 -4.538 -4.250 5.087 1.00 0.00 O ATOM 94 CB LYS A 6 -3.182 -6.824 5.715 1.00 0.00 C ATOM 95 CG LYS A 6 -4.372 -7.634 6.219 1.00 0.00 C ATOM 96 CD LYS A 6 -4.009 -8.357 7.511 1.00 0.00 C ATOM 97 CE LYS A 6 -5.221 -9.146 7.998 1.00 0.00 C ATOM 98 NZ LYS A 6 -4.911 -9.884 9.232 1.00 0.00 N ATOM 0 H LYS A 6 -1.821 -5.027 4.433 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.818 -7.094 3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.292 -7.452 5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.963 -6.010 6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.223 -6.975 6.390 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.675 -8.357 5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.166 -9.028 7.343 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.698 -7.639 8.270 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.054 -8.466 8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.540 -9.844 7.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.752 -10.412 9.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.132 -10.549 9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.630 -9.214 9.976 1.00 0.00 H new ATOM 112 N THR A 7 -5.662 -5.469 3.558 1.00 0.00 N ATOM 113 CA THR A 7 -6.785 -4.556 3.472 1.00 0.00 C ATOM 114 C THR A 7 -7.566 -4.559 4.779 1.00 0.00 C ATOM 115 O THR A 7 -7.312 -5.379 5.659 1.00 0.00 O ATOM 116 CB THR A 7 -7.694 -4.985 2.322 1.00 0.00 C ATOM 117 OG1 THR A 7 -8.195 -6.275 2.585 1.00 0.00 O ATOM 118 CG2 THR A 7 -6.916 -5.002 1.009 1.00 0.00 C ATOM 0 H THR A 7 -5.734 -6.279 2.942 1.00 0.00 H new ATOM 0 HA THR A 7 -6.416 -3.547 3.290 1.00 0.00 H new ATOM 0 HB THR A 7 -8.517 -4.275 2.235 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.115 -6.342 2.254 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.577 -5.310 0.199 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.529 -4.004 0.803 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.086 -5.704 1.087 1.00 0.00 H new ATOM 126 N ALA A 8 -8.545 -3.661 4.890 1.00 0.00 N ATOM 127 CA ALA A 8 -9.439 -3.642 6.030 1.00 0.00 C ATOM 128 C ALA A 8 -10.547 -4.672 5.827 1.00 0.00 C ATOM 129 O ALA A 8 -11.409 -4.832 6.689 1.00 0.00 O ATOM 130 CB ALA A 8 -10.028 -2.243 6.188 1.00 0.00 C ATOM 0 H ALA A 8 -8.733 -2.937 4.197 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.890 -3.896 6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.701 -2.226 7.045 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.223 -1.525 6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.581 -1.977 5.287 1.00 0.00 H new ATOM 136 N THR A 9 -10.557 -5.329 4.662 1.00 0.00 N ATOM 137 CA THR A 9 -11.581 -6.303 4.328 1.00 0.00 C ATOM 138 C THR A 9 -11.099 -7.720 4.633 1.00 0.00 C ATOM 139 O THR A 9 -11.840 -8.679 4.428 1.00 0.00 O ATOM 140 CB THR A 9 -11.963 -6.161 2.854 1.00 0.00 C ATOM 141 OG1 THR A 9 -10.829 -6.359 2.040 1.00 0.00 O ATOM 142 CG2 THR A 9 -12.527 -4.764 2.604 1.00 0.00 C ATOM 0 H THR A 9 -9.856 -5.196 3.933 1.00 0.00 H new ATOM 0 HA THR A 9 -12.464 -6.115 4.940 1.00 0.00 H new ATOM 0 HB THR A 9 -12.716 -6.910 2.609 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.083 -6.268 1.098 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.799 -4.664 1.553 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.411 -4.612 3.224 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.774 -4.017 2.857 1.00 0.00 H new ATOM 150 N GLY A 10 -9.861 -7.854 5.118 1.00 0.00 N ATOM 151 CA GLY A 10 -9.324 -9.143 5.520 1.00 0.00 C ATOM 152 C GLY A 10 -8.538 -9.809 4.393 1.00 0.00 C ATOM 153 O GLY A 10 -7.975 -10.884 4.591 1.00 0.00 O ATOM 0 H GLY A 10 -9.213 -7.075 5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.676 -9.012 6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.140 -9.796 5.828 1.00 0.00 H new ATOM 157 N LYS A 11 -8.504 -9.188 3.209 1.00 0.00 N ATOM 158 CA LYS A 11 -7.771 -9.744 2.085 1.00 0.00 C ATOM 159 C LYS A 11 -6.289 -9.404 2.170 1.00 0.00 C ATOM 160 O LYS A 11 -5.906 -8.238 2.088 1.00 0.00 O ATOM 161 CB LYS A 11 -8.353 -9.230 0.770 1.00 0.00 C ATOM 162 CG LYS A 11 -9.707 -9.887 0.518 1.00 0.00 C ATOM 163 CD LYS A 11 -10.191 -9.536 -0.887 1.00 0.00 C ATOM 164 CE LYS A 11 -11.436 -10.356 -1.214 1.00 0.00 C ATOM 165 NZ LYS A 11 -11.925 -10.061 -2.570 1.00 0.00 N ATOM 0 H LYS A 11 -8.975 -8.305 3.013 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.872 -10.829 2.121 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.465 -8.146 0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.672 -9.451 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.624 -10.968 0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.431 -9.548 1.259 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.416 -8.471 -0.951 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.406 -9.740 -1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.208 -11.418 -1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.219 -10.140 -0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.772 -10.632 -2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.164 -9.051 -2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.185 -10.291 -3.264 1.00 0.00 H new ATOM 179 N THR A 12 -5.456 -10.442 2.273 1.00 0.00 N ATOM 180 CA THR A 12 -4.014 -10.310 2.197 1.00 0.00 C ATOM 181 C THR A 12 -3.629 -10.120 0.734 1.00 0.00 C ATOM 182 O THR A 12 -4.174 -10.795 -0.137 1.00 0.00 O ATOM 183 CB THR A 12 -3.380 -11.587 2.754 1.00 0.00 C ATOM 184 OG1 THR A 12 -3.972 -11.906 3.994 1.00 0.00 O ATOM 185 CG2 THR A 12 -1.877 -11.409 2.941 1.00 0.00 C ATOM 0 H THR A 12 -5.773 -11.401 2.412 1.00 0.00 H new ATOM 0 HA THR A 12 -3.664 -9.456 2.777 1.00 0.00 H new ATOM 0 HB THR A 12 -3.549 -12.395 2.043 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.567 -12.725 4.349 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.448 -12.329 3.338 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.416 -11.178 1.981 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.691 -10.592 3.638 1.00 0.00 H new ATOM 193 N ILE A 13 -2.708 -9.194 0.455 1.00 0.00 N ATOM 194 CA ILE A 13 -2.305 -8.922 -0.913 1.00 0.00 C ATOM 195 C ILE A 13 -0.788 -8.942 -1.043 1.00 0.00 C ATOM 196 O ILE A 13 -0.109 -8.044 -0.548 1.00 0.00 O ATOM 197 CB ILE A 13 -2.876 -7.576 -1.371 1.00 0.00 C ATOM 198 CG1 ILE A 13 -4.386 -7.538 -1.119 1.00 0.00 C ATOM 199 CG2 ILE A 13 -2.587 -7.389 -2.861 1.00 0.00 C ATOM 200 CD1 ILE A 13 -4.962 -6.182 -1.526 1.00 0.00 C ATOM 0 H ILE A 13 -2.234 -8.627 1.158 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.705 -9.705 -1.557 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.408 -6.769 -0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.875 -8.332 -1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.590 -7.725 -0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.991 -6.433 -3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.510 -7.405 -3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.054 -8.196 -3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.036 -6.172 -1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.486 -5.394 -0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.776 -6.011 -2.586 1.00 0.00 H new ATOM 212 N THR A 14 -0.261 -9.955 -1.735 1.00 0.00 N ATOM 213 CA THR A 14 1.152 -10.017 -2.055 1.00 0.00 C ATOM 214 C THR A 14 1.449 -8.925 -3.074 1.00 0.00 C ATOM 215 O THR A 14 0.860 -8.918 -4.154 1.00 0.00 O ATOM 216 CB THR A 14 1.480 -11.391 -2.636 1.00 0.00 C ATOM 217 OG1 THR A 14 0.996 -12.399 -1.777 1.00 0.00 O ATOM 218 CG2 THR A 14 2.992 -11.536 -2.790 1.00 0.00 C ATOM 0 H THR A 14 -0.803 -10.745 -2.083 1.00 0.00 H new ATOM 0 HA THR A 14 1.760 -9.867 -1.163 1.00 0.00 H new ATOM 0 HB THR A 14 1.005 -11.490 -3.612 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.455 -12.340 -0.913 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.223 -12.517 -3.205 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.365 -10.762 -3.460 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.469 -11.433 -1.815 1.00 0.00 H new ATOM 226 N LEU A 15 2.310 -7.968 -2.718 1.00 0.00 N ATOM 227 CA LEU A 15 2.558 -6.831 -3.583 1.00 0.00 C ATOM 228 C LEU A 15 4.032 -6.741 -3.947 1.00 0.00 C ATOM 229 O LEU A 15 4.897 -7.135 -3.167 1.00 0.00 O ATOM 230 CB LEU A 15 2.095 -5.556 -2.875 1.00 0.00 C ATOM 231 CG LEU A 15 1.730 -4.470 -3.888 1.00 0.00 C ATOM 232 CD1 LEU A 15 0.466 -4.861 -4.649 1.00 0.00 C ATOM 233 CD2 LEU A 15 1.490 -3.152 -3.153 1.00 0.00 C ATOM 0 H LEU A 15 2.838 -7.964 -1.845 1.00 0.00 H new ATOM 0 HA LEU A 15 1.998 -6.953 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.232 -5.777 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.885 -5.194 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 15 2.550 -4.356 -4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.217 -4.079 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.635 -5.799 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.358 -4.984 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.230 -2.376 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.674 -3.276 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.395 -2.863 -2.619 1.00 0.00 H new ATOM 245 N GLU A 16 4.310 -6.173 -5.121 1.00 0.00 N ATOM 246 CA GLU A 16 5.662 -5.949 -5.591 1.00 0.00 C ATOM 247 C GLU A 16 5.730 -4.563 -6.214 1.00 0.00 C ATOM 248 O GLU A 16 5.018 -4.285 -7.177 1.00 0.00 O ATOM 249 CB GLU A 16 6.030 -7.033 -6.602 1.00 0.00 C ATOM 250 CG GLU A 16 7.492 -6.884 -7.017 1.00 0.00 C ATOM 251 CD GLU A 16 7.907 -8.013 -7.951 1.00 0.00 C ATOM 252 OE1 GLU A 16 7.595 -7.900 -9.157 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.535 -8.968 -7.446 1.00 0.00 O ATOM 0 H GLU A 16 3.592 -5.856 -5.772 1.00 0.00 H new ATOM 0 HA GLU A 16 6.375 -6.001 -4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.865 -8.019 -6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.385 -6.959 -7.478 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.638 -5.924 -7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.128 -6.886 -6.132 1.00 0.00 H new ATOM 260 N VAL A 17 6.554 -3.678 -5.650 1.00 0.00 N ATOM 261 CA VAL A 17 6.617 -2.311 -6.138 1.00 0.00 C ATOM 262 C VAL A 17 8.048 -1.920 -6.478 1.00 0.00 C ATOM 263 O VAL A 17 8.999 -2.488 -5.943 1.00 0.00 O ATOM 264 CB VAL A 17 6.033 -1.367 -5.083 1.00 0.00 C ATOM 265 CG1 VAL A 17 4.567 -1.711 -4.834 1.00 0.00 C ATOM 266 CG2 VAL A 17 6.808 -1.494 -3.772 1.00 0.00 C ATOM 0 H VAL A 17 7.175 -3.884 -4.868 1.00 0.00 H new ATOM 0 HA VAL A 17 6.029 -2.234 -7.052 1.00 0.00 H new ATOM 0 HB VAL A 17 6.113 -0.344 -5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.157 -1.036 -4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.006 -1.604 -5.762 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.490 -2.739 -4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.382 -0.818 -3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.742 -2.519 -3.408 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.853 -1.236 -3.941 1.00 0.00 H new ATOM 276 N GLU A 18 8.192 -0.902 -7.330 1.00 0.00 N ATOM 277 CA GLU A 18 9.488 -0.368 -7.699 1.00 0.00 C ATOM 278 C GLU A 18 10.020 0.474 -6.541 1.00 0.00 C ATOM 279 O GLU A 18 9.330 1.372 -6.062 1.00 0.00 O ATOM 280 CB GLU A 18 9.352 0.479 -8.965 1.00 0.00 C ATOM 281 CG GLU A 18 9.295 -0.412 -10.210 1.00 0.00 C ATOM 282 CD GLU A 18 7.999 -1.213 -10.303 1.00 0.00 C ATOM 283 OE1 GLU A 18 7.007 -0.791 -9.670 1.00 0.00 O ATOM 284 OE2 GLU A 18 8.017 -2.231 -11.029 1.00 0.00 O ATOM 0 H GLU A 18 7.407 -0.430 -7.779 1.00 0.00 H new ATOM 0 HA GLU A 18 10.187 -1.179 -7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.450 1.088 -8.906 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.195 1.165 -9.041 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.399 0.208 -11.100 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.142 -1.099 -10.199 1.00 0.00 H new ATOM 291 N PRO A 19 11.253 0.197 -6.104 1.00 0.00 N ATOM 292 CA PRO A 19 11.871 0.832 -4.956 1.00 0.00 C ATOM 293 C PRO A 19 11.891 2.359 -5.033 1.00 0.00 C ATOM 294 O PRO A 19 12.007 3.010 -3.998 1.00 0.00 O ATOM 295 CB PRO A 19 13.296 0.280 -4.900 1.00 0.00 C ATOM 296 CG PRO A 19 13.214 -1.058 -5.630 1.00 0.00 C ATOM 297 CD PRO A 19 12.078 -0.870 -6.632 1.00 0.00 C ATOM 0 HA PRO A 19 11.293 0.609 -4.059 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.003 0.954 -5.384 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.632 0.151 -3.871 1.00 0.00 H new ATOM 0 HG2 PRO A 19 14.152 -1.296 -6.132 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.005 -1.876 -4.940 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.466 -0.612 -7.618 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.502 -1.788 -6.746 1.00 0.00 H new ATOM 305 N SER A 20 11.789 2.936 -6.236 1.00 0.00 N ATOM 306 CA SER A 20 11.977 4.372 -6.411 1.00 0.00 C ATOM 307 C SER A 20 10.811 5.024 -7.148 1.00 0.00 C ATOM 308 O SER A 20 10.983 6.077 -7.759 1.00 0.00 O ATOM 309 CB SER A 20 13.274 4.620 -7.172 1.00 0.00 C ATOM 310 OG SER A 20 14.351 4.035 -6.475 1.00 0.00 O ATOM 0 H SER A 20 11.578 2.429 -7.096 1.00 0.00 H new ATOM 0 HA SER A 20 12.025 4.825 -5.421 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.205 4.199 -8.175 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.441 5.691 -7.287 1.00 0.00 H new ATOM 0 HG SER A 20 15.184 4.194 -6.967 1.00 0.00 H new ATOM 316 N ASP A 21 9.657 4.358 -7.178 1.00 0.00 N ATOM 317 CA ASP A 21 8.493 4.878 -7.875 1.00 0.00 C ATOM 318 C ASP A 21 7.586 5.626 -6.894 1.00 0.00 C ATOM 319 O ASP A 21 6.503 6.067 -7.271 1.00 0.00 O ATOM 320 CB ASP A 21 7.742 3.723 -8.539 1.00 0.00 C ATOM 321 CG ASP A 21 8.313 3.392 -9.915 1.00 0.00 C ATOM 322 OD1 ASP A 21 7.570 2.764 -10.700 1.00 0.00 O ATOM 323 OD2 ASP A 21 9.441 3.853 -10.194 1.00 0.00 O ATOM 0 H ASP A 21 9.509 3.456 -6.725 1.00 0.00 H new ATOM 0 HA ASP A 21 8.810 5.580 -8.646 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.795 2.841 -7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.688 3.983 -8.636 1.00 0.00 H new ATOM 328 N THR A 22 8.019 5.742 -5.632 1.00 0.00 N ATOM 329 CA THR A 22 7.310 6.487 -4.598 1.00 0.00 C ATOM 330 C THR A 22 6.117 5.687 -4.084 1.00 0.00 C ATOM 331 O THR A 22 5.645 4.766 -4.746 1.00 0.00 O ATOM 332 CB THR A 22 6.870 7.849 -5.147 1.00 0.00 C ATOM 333 OG1 THR A 22 7.972 8.474 -5.765 1.00 0.00 O ATOM 334 CG2 THR A 22 6.347 8.757 -4.034 1.00 0.00 C ATOM 0 H THR A 22 8.884 5.313 -5.302 1.00 0.00 H new ATOM 0 HA THR A 22 7.982 6.656 -3.756 1.00 0.00 H new ATOM 0 HB THR A 22 6.066 7.684 -5.864 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.697 9.345 -6.120 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.044 9.714 -4.458 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.490 8.286 -3.552 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.134 8.919 -3.297 1.00 0.00 H new ATOM 342 N ILE A 23 5.623 6.061 -2.901 1.00 0.00 N ATOM 343 CA ILE A 23 4.482 5.415 -2.277 1.00 0.00 C ATOM 344 C ILE A 23 3.290 5.399 -3.228 1.00 0.00 C ATOM 345 O ILE A 23 2.431 4.526 -3.126 1.00 0.00 O ATOM 346 CB ILE A 23 4.137 6.158 -0.983 1.00 0.00 C ATOM 347 CG1 ILE A 23 5.252 5.968 0.050 1.00 0.00 C ATOM 348 CG2 ILE A 23 2.810 5.655 -0.412 1.00 0.00 C ATOM 349 CD1 ILE A 23 5.339 4.518 0.530 1.00 0.00 C ATOM 0 H ILE A 23 6.012 6.827 -2.351 1.00 0.00 H new ATOM 0 HA ILE A 23 4.731 4.380 -2.042 1.00 0.00 H new ATOM 0 HB ILE A 23 4.040 7.219 -1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.206 6.265 -0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.073 6.623 0.903 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.582 6.195 0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.015 5.822 -1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.887 4.589 -0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.142 4.424 1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.394 4.230 0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.544 3.865 -0.319 1.00 0.00 H new ATOM 361 N GLU A 24 3.220 6.373 -4.137 1.00 0.00 N ATOM 362 CA GLU A 24 2.107 6.466 -5.060 1.00 0.00 C ATOM 363 C GLU A 24 1.953 5.161 -5.833 1.00 0.00 C ATOM 364 O GLU A 24 0.838 4.759 -6.157 1.00 0.00 O ATOM 365 CB GLU A 24 2.344 7.635 -6.014 1.00 0.00 C ATOM 366 CG GLU A 24 1.156 7.782 -6.962 1.00 0.00 C ATOM 367 CD GLU A 24 1.368 8.941 -7.927 1.00 0.00 C ATOM 368 OE1 GLU A 24 1.914 9.969 -7.472 1.00 0.00 O ATOM 369 OE2 GLU A 24 0.894 8.814 -9.077 1.00 0.00 O ATOM 0 H GLU A 24 3.923 7.103 -4.247 1.00 0.00 H new ATOM 0 HA GLU A 24 1.185 6.640 -4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.484 8.555 -5.447 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.258 7.470 -6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.017 6.858 -7.523 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.245 7.945 -6.386 1.00 0.00 H new ATOM 376 N ASN A 25 3.070 4.475 -6.086 1.00 0.00 N ATOM 377 CA ASN A 25 3.054 3.244 -6.853 1.00 0.00 C ATOM 378 C ASN A 25 2.400 2.128 -6.050 1.00 0.00 C ATOM 379 O ASN A 25 1.763 1.245 -6.619 1.00 0.00 O ATOM 380 CB ASN A 25 4.490 2.870 -7.212 1.00 0.00 C ATOM 381 CG ASN A 25 4.544 1.709 -8.196 1.00 0.00 C ATOM 382 OD1 ASN A 25 3.517 1.258 -8.698 1.00 0.00 O ATOM 383 ND2 ASN A 25 5.751 1.200 -8.440 1.00 0.00 N ATOM 0 H ASN A 25 3.996 4.759 -5.766 1.00 0.00 H new ATOM 0 HA ASN A 25 2.474 3.388 -7.765 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.994 3.735 -7.643 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.033 2.604 -6.306 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.851 0.402 -9.067 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.575 1.609 -8.000 1.00 0.00 H new ATOM 390 N VAL A 26 2.513 2.188 -4.722 1.00 0.00 N ATOM 391 CA VAL A 26 1.941 1.160 -3.875 1.00 0.00 C ATOM 392 C VAL A 26 0.426 1.167 -4.029 1.00 0.00 C ATOM 393 O VAL A 26 -0.212 0.120 -3.944 1.00 0.00 O ATOM 394 CB VAL A 26 2.341 1.421 -2.421 1.00 0.00 C ATOM 395 CG1 VAL A 26 1.777 0.324 -1.521 1.00 0.00 C ATOM 396 CG2 VAL A 26 3.863 1.442 -2.290 1.00 0.00 C ATOM 0 H VAL A 26 2.993 2.935 -4.220 1.00 0.00 H new ATOM 0 HA VAL A 26 2.317 0.180 -4.168 1.00 0.00 H new ATOM 0 HB VAL A 26 1.938 2.387 -2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.066 0.517 -0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.690 0.313 -1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.172 -0.642 -1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.136 1.628 -1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.269 0.481 -2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.272 2.232 -2.920 1.00 0.00 H new ATOM 406 N LYS A 27 -0.146 2.342 -4.304 1.00 0.00 N ATOM 407 CA LYS A 27 -1.579 2.466 -4.497 1.00 0.00 C ATOM 408 C LYS A 27 -1.953 2.085 -5.924 1.00 0.00 C ATOM 409 O LYS A 27 -3.059 1.607 -6.166 1.00 0.00 O ATOM 410 CB LYS A 27 -2.006 3.904 -4.206 1.00 0.00 C ATOM 411 CG LYS A 27 -1.674 4.254 -2.756 1.00 0.00 C ATOM 412 CD LYS A 27 -2.189 5.653 -2.419 1.00 0.00 C ATOM 413 CE LYS A 27 -1.473 6.687 -3.285 1.00 0.00 C ATOM 414 NZ LYS A 27 -1.901 8.054 -2.946 1.00 0.00 N ATOM 0 H LYS A 27 0.369 3.218 -4.397 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.094 1.791 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.495 4.590 -4.882 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.075 4.019 -4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.124 3.522 -2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.596 4.208 -2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.265 5.705 -2.587 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.021 5.869 -1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.395 6.596 -3.148 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.679 6.489 -4.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.398 8.735 -3.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.926 8.145 -3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.682 8.249 -1.948 1.00 0.00 H new ATOM 428 N ALA A 28 -1.032 2.291 -6.869 1.00 0.00 N ATOM 429 CA ALA A 28 -1.305 2.024 -8.269 1.00 0.00 C ATOM 430 C ALA A 28 -1.400 0.524 -8.517 1.00 0.00 C ATOM 431 O ALA A 28 -2.238 0.079 -9.298 1.00 0.00 O ATOM 432 CB ALA A 28 -0.195 2.631 -9.123 1.00 0.00 C ATOM 0 H ALA A 28 -0.093 2.642 -6.682 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.260 2.475 -8.540 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.396 2.433 -10.176 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.156 3.708 -8.958 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.761 2.187 -8.846 1.00 0.00 H new ATOM 438 N LYS A 29 -0.586 -0.263 -7.809 1.00 0.00 N ATOM 439 CA LYS A 29 -0.602 -1.704 -7.975 1.00 0.00 C ATOM 440 C LYS A 29 -1.894 -2.276 -7.405 1.00 0.00 C ATOM 441 O LYS A 29 -2.302 -3.375 -7.775 1.00 0.00 O ATOM 442 CB LYS A 29 0.598 -2.314 -7.251 1.00 0.00 C ATOM 443 CG LYS A 29 1.916 -1.813 -7.841 1.00 0.00 C ATOM 444 CD LYS A 29 2.121 -2.363 -9.249 1.00 0.00 C ATOM 445 CE LYS A 29 3.483 -1.906 -9.767 1.00 0.00 C ATOM 446 NZ LYS A 29 3.755 -2.461 -11.102 1.00 0.00 N ATOM 0 H LYS A 29 0.086 0.078 -7.121 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.545 -1.945 -9.036 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.553 -2.062 -6.191 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.555 -3.401 -7.323 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.917 -0.723 -7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.745 -2.117 -7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.068 -3.452 -9.240 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.329 -2.011 -9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.513 -0.817 -9.809 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.263 -2.220 -9.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.686 -2.135 -11.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.749 -3.500 -11.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.022 -2.141 -11.767 1.00 0.00 H new ATOM 460 N ILE A 30 -2.546 -1.524 -6.514 1.00 0.00 N ATOM 461 CA ILE A 30 -3.766 -1.983 -5.879 1.00 0.00 C ATOM 462 C ILE A 30 -4.976 -1.537 -6.688 1.00 0.00 C ATOM 463 O ILE A 30 -6.000 -2.215 -6.686 1.00 0.00 O ATOM 464 CB ILE A 30 -3.826 -1.430 -4.453 1.00 0.00 C ATOM 465 CG1 ILE A 30 -2.680 -2.034 -3.639 1.00 0.00 C ATOM 466 CG2 ILE A 30 -5.160 -1.790 -3.799 1.00 0.00 C ATOM 467 CD1 ILE A 30 -2.572 -1.337 -2.285 1.00 0.00 C ATOM 0 H ILE A 30 -2.242 -0.595 -6.222 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.774 -3.072 -5.837 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.734 -0.344 -4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.849 -3.101 -3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.742 -1.931 -4.185 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.188 -1.390 -2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.977 -1.363 -4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.267 -2.874 -3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.753 -1.775 -1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.381 -0.275 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.505 -1.463 -1.736 1.00 0.00 H new ATOM 479 N GLN A 31 -4.855 -0.430 -7.423 1.00 0.00 N ATOM 480 CA GLN A 31 -5.943 0.018 -8.270 1.00 0.00 C ATOM 481 C GLN A 31 -6.183 -1.009 -9.371 1.00 0.00 C ATOM 482 O GLN A 31 -7.313 -1.191 -9.818 1.00 0.00 O ATOM 483 CB GLN A 31 -5.598 1.383 -8.863 1.00 0.00 C ATOM 484 CG GLN A 31 -6.719 1.834 -9.799 1.00 0.00 C ATOM 485 CD GLN A 31 -6.463 3.239 -10.330 1.00 0.00 C ATOM 486 OE1 GLN A 31 -5.364 3.770 -10.192 1.00 0.00 O ATOM 487 NE2 GLN A 31 -7.496 3.856 -10.904 1.00 0.00 N ATOM 0 H GLN A 31 -4.024 0.160 -7.444 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.856 0.117 -7.683 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.461 2.113 -8.065 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.656 1.326 -9.408 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.802 1.137 -10.633 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.671 1.811 -9.268 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.390 3.374 -10.997 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.392 4.810 -11.251 1.00 0.00 H new ATOM 496 N ASP A 32 -5.112 -1.672 -9.813 1.00 0.00 N ATOM 497 CA ASP A 32 -5.196 -2.670 -10.863 1.00 0.00 C ATOM 498 C ASP A 32 -5.660 -4.011 -10.303 1.00 0.00 C ATOM 499 O ASP A 32 -6.228 -4.821 -11.032 1.00 0.00 O ATOM 500 CB ASP A 32 -3.825 -2.809 -11.521 1.00 0.00 C ATOM 501 CG ASP A 32 -3.861 -3.799 -12.678 1.00 0.00 C ATOM 502 OD1 ASP A 32 -2.952 -4.657 -12.715 1.00 0.00 O ATOM 503 OD2 ASP A 32 -4.699 -3.588 -13.582 1.00 0.00 O ATOM 0 H ASP A 32 -4.170 -1.528 -9.450 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.929 -2.353 -11.605 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.493 -1.836 -11.883 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.096 -3.139 -10.781 1.00 0.00 H new ATOM 508 N LYS A 33 -5.404 -4.259 -9.015 1.00 0.00 N ATOM 509 CA LYS A 33 -5.695 -5.552 -8.421 1.00 0.00 C ATOM 510 C LYS A 33 -7.011 -5.522 -7.653 1.00 0.00 C ATOM 511 O LYS A 33 -7.890 -6.346 -7.893 1.00 0.00 O ATOM 512 CB LYS A 33 -4.540 -5.944 -7.500 1.00 0.00 C ATOM 513 CG LYS A 33 -4.669 -7.399 -7.050 1.00 0.00 C ATOM 514 CD LYS A 33 -4.469 -8.334 -8.242 1.00 0.00 C ATOM 515 CE LYS A 33 -4.439 -9.782 -7.758 1.00 0.00 C ATOM 516 NZ LYS A 33 -4.224 -10.712 -8.878 1.00 0.00 N ATOM 0 H LYS A 33 -4.997 -3.580 -8.372 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.800 -6.294 -9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.592 -5.803 -8.019 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.527 -5.290 -6.628 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.930 -7.617 -6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.651 -7.566 -6.607 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.275 -8.198 -8.963 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.538 -8.092 -8.755 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.645 -9.906 -7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.378 -10.021 -7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.208 -11.688 -8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.995 -10.609 -9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.317 -10.497 -9.338 1.00 0.00 H new ATOM 530 N GLU A 34 -7.140 -4.580 -6.716 1.00 0.00 N ATOM 531 CA GLU A 34 -8.322 -4.474 -5.880 1.00 0.00 C ATOM 532 C GLU A 34 -9.384 -3.637 -6.585 1.00 0.00 C ATOM 533 O GLU A 34 -10.556 -3.674 -6.213 1.00 0.00 O ATOM 534 CB GLU A 34 -7.927 -3.833 -4.549 1.00 0.00 C ATOM 535 CG GLU A 34 -9.033 -4.003 -3.510 1.00 0.00 C ATOM 536 CD GLU A 34 -9.354 -5.474 -3.279 1.00 0.00 C ATOM 537 OE1 GLU A 34 -10.549 -5.821 -3.391 1.00 0.00 O ATOM 538 OE2 GLU A 34 -8.397 -6.229 -3.000 1.00 0.00 O ATOM 0 H GLU A 34 -6.428 -3.876 -6.522 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.738 -5.464 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.006 -4.286 -4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.723 -2.773 -4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.726 -3.544 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.930 -3.481 -3.842 1.00 0.00 H new ATOM 545 N GLY A 35 -8.981 -2.914 -7.634 1.00 0.00 N ATOM 546 CA GLY A 35 -9.900 -2.129 -8.437 1.00 0.00 C ATOM 547 C GLY A 35 -10.205 -0.785 -7.783 1.00 0.00 C ATOM 548 O GLY A 35 -10.945 0.016 -8.349 1.00 0.00 O ATOM 0 H GLY A 35 -8.010 -2.862 -7.943 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.472 -1.965 -9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.827 -2.685 -8.579 1.00 0.00 H new ATOM 552 N ILE A 36 -9.663 -0.545 -6.586 1.00 0.00 N ATOM 553 CA ILE A 36 -9.916 0.690 -5.862 1.00 0.00 C ATOM 554 C ILE A 36 -8.849 1.727 -6.209 1.00 0.00 C ATOM 555 O ILE A 36 -7.684 1.548 -5.858 1.00 0.00 O ATOM 556 CB ILE A 36 -9.910 0.405 -4.359 1.00 0.00 C ATOM 557 CG1 ILE A 36 -10.941 -0.683 -4.046 1.00 0.00 C ATOM 558 CG2 ILE A 36 -10.257 1.689 -3.606 1.00 0.00 C ATOM 559 CD1 ILE A 36 -10.870 -1.082 -2.573 1.00 0.00 C ATOM 0 H ILE A 36 -9.045 -1.196 -6.102 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.890 1.087 -6.148 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.924 0.061 -4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.942 -0.322 -4.283 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.760 -1.555 -4.674 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.255 1.494 -2.534 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.519 2.457 -3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.246 2.033 -3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.610 -1.856 -2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.874 -1.463 -2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.075 -0.211 -1.950 1.00 0.00 H new ATOM 571 N PRO A 37 -9.250 2.843 -6.830 1.00 0.00 N ATOM 572 CA PRO A 37 -8.355 3.928 -7.180 1.00 0.00 C ATOM 573 C PRO A 37 -7.720 4.529 -5.930 1.00 0.00 C ATOM 574 O PRO A 37 -8.216 4.325 -4.823 1.00 0.00 O ATOM 575 CB PRO A 37 -9.218 4.971 -7.894 1.00 0.00 C ATOM 576 CG PRO A 37 -10.490 4.226 -8.299 1.00 0.00 C ATOM 577 CD PRO A 37 -10.599 3.087 -7.290 1.00 0.00 C ATOM 0 HA PRO A 37 -7.539 3.580 -7.814 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.445 5.811 -7.237 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.705 5.377 -8.766 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.363 4.878 -8.258 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.422 3.848 -9.319 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.252 3.359 -6.461 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.023 2.195 -7.751 1.00 0.00 H new ATOM 585 N PRO A 38 -6.688 5.359 -6.114 1.00 0.00 N ATOM 586 CA PRO A 38 -6.030 6.070 -5.039 1.00 0.00 C ATOM 587 C PRO A 38 -7.014 6.986 -4.319 1.00 0.00 C ATOM 588 O PRO A 38 -8.117 7.222 -4.808 1.00 0.00 O ATOM 589 CB PRO A 38 -4.912 6.883 -5.693 1.00 0.00 C ATOM 590 CG PRO A 38 -4.705 6.237 -7.064 1.00 0.00 C ATOM 591 CD PRO A 38 -6.054 5.601 -7.391 1.00 0.00 C ATOM 0 HA PRO A 38 -5.635 5.383 -4.291 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.191 7.932 -5.789 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.999 6.849 -5.098 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.422 6.976 -7.813 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.910 5.491 -7.036 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.660 6.262 -8.010 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.925 4.673 -7.947 1.00 0.00 H new ATOM 599 N ASP A 39 -6.589 7.527 -3.172 1.00 0.00 N ATOM 600 CA ASP A 39 -7.368 8.458 -2.369 1.00 0.00 C ATOM 601 C ASP A 39 -8.511 7.748 -1.655 1.00 0.00 C ATOM 602 O ASP A 39 -8.735 7.977 -0.469 1.00 0.00 O ATOM 603 CB ASP A 39 -7.889 9.601 -3.237 1.00 0.00 C ATOM 604 CG ASP A 39 -8.451 10.717 -2.366 1.00 0.00 C ATOM 605 OD1 ASP A 39 -9.683 10.707 -2.157 1.00 0.00 O ATOM 606 OD2 ASP A 39 -7.625 11.489 -1.831 1.00 0.00 O ATOM 0 H ASP A 39 -5.673 7.321 -2.773 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.715 8.877 -1.604 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.083 9.989 -3.861 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.663 9.231 -3.910 1.00 0.00 H new ATOM 611 N GLN A 40 -9.210 6.853 -2.357 1.00 0.00 N ATOM 612 CA GLN A 40 -10.274 6.081 -1.745 1.00 0.00 C ATOM 613 C GLN A 40 -9.660 5.108 -0.747 1.00 0.00 C ATOM 614 O GLN A 40 -10.348 4.603 0.138 1.00 0.00 O ATOM 615 CB GLN A 40 -11.059 5.337 -2.823 1.00 0.00 C ATOM 616 CG GLN A 40 -11.848 6.345 -3.655 1.00 0.00 C ATOM 617 CD GLN A 40 -12.641 5.649 -4.753 1.00 0.00 C ATOM 618 OE1 GLN A 40 -13.549 4.871 -4.468 1.00 0.00 O ATOM 619 NE2 GLN A 40 -12.333 5.969 -6.010 1.00 0.00 N ATOM 0 H GLN A 40 -9.053 6.651 -3.345 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.966 6.740 -1.220 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.379 4.774 -3.462 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.736 4.616 -2.365 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.527 6.902 -3.009 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.165 7.069 -4.099 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.571 6.620 -6.198 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.860 5.563 -6.783 1.00 0.00 H new ATOM 628 N GLN A 41 -8.353 4.867 -0.885 1.00 0.00 N ATOM 629 CA GLN A 41 -7.606 4.028 0.029 1.00 0.00 C ATOM 630 C GLN A 41 -6.531 4.861 0.718 1.00 0.00 C ATOM 631 O GLN A 41 -6.147 5.914 0.213 1.00 0.00 O ATOM 632 CB GLN A 41 -6.995 2.854 -0.739 1.00 0.00 C ATOM 633 CG GLN A 41 -5.935 3.365 -1.715 1.00 0.00 C ATOM 634 CD GLN A 41 -5.322 2.217 -2.504 1.00 0.00 C ATOM 635 OE1 GLN A 41 -4.341 1.617 -2.071 1.00 0.00 O ATOM 636 NE2 GLN A 41 -5.887 1.925 -3.676 1.00 0.00 N ATOM 0 H GLN A 41 -7.789 5.255 -1.641 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.268 3.625 0.795 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.548 2.145 -0.042 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.774 2.319 -1.282 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.383 4.084 -2.401 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.154 3.892 -1.166 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.701 2.451 -3.995 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.505 1.176 -4.254 1.00 0.00 H new ATOM 645 N ARG A 42 -6.001 4.358 1.836 1.00 0.00 N ATOM 646 CA ARG A 42 -4.935 5.030 2.557 1.00 0.00 C ATOM 647 C ARG A 42 -3.959 3.989 3.086 1.00 0.00 C ATOM 648 O ARG A 42 -4.371 2.935 3.567 1.00 0.00 O ATOM 649 CB ARG A 42 -5.529 5.859 3.697 1.00 0.00 C ATOM 650 CG ARG A 42 -6.162 7.129 3.127 1.00 0.00 C ATOM 651 CD ARG A 42 -6.838 7.927 4.241 1.00 0.00 C ATOM 652 NE ARG A 42 -8.027 7.229 4.741 1.00 0.00 N ATOM 653 CZ ARG A 42 -8.946 7.803 5.531 1.00 0.00 C ATOM 654 NH1 ARG A 42 -8.781 9.066 5.944 1.00 0.00 N ATOM 655 NH2 ARG A 42 -10.034 7.116 5.901 1.00 0.00 N ATOM 0 H ARG A 42 -6.301 3.479 2.258 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.398 5.705 1.891 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.278 5.276 4.233 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.752 6.118 4.416 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.399 7.739 2.644 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.893 6.868 2.362 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.134 8.085 5.058 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.120 8.912 3.868 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.162 6.254 4.473 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.956 9.592 5.658 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.481 9.502 6.545 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.164 6.156 5.582 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.733 7.553 6.502 1.00 0.00 H new ATOM 669 N LEU A 43 -2.662 4.294 2.997 1.00 0.00 N ATOM 670 CA LEU A 43 -1.607 3.360 3.340 1.00 0.00 C ATOM 671 C LEU A 43 -1.089 3.641 4.745 1.00 0.00 C ATOM 672 O LEU A 43 -1.195 4.762 5.239 1.00 0.00 O ATOM 673 CB LEU A 43 -0.469 3.520 2.330 1.00 0.00 C ATOM 674 CG LEU A 43 -0.795 2.798 1.023 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.251 3.167 -0.025 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.772 1.287 1.235 1.00 0.00 C ATOM 0 H LEU A 43 -2.321 5.202 2.683 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.996 2.342 3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.298 4.578 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.454 3.121 2.750 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.788 3.098 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.025 2.655 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.238 4.245 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.238 2.865 0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.006 0.784 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.218 0.982 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.512 1.014 1.987 1.00 0.00 H new ATOM 688 N ALA A 44 -0.491 2.622 5.369 1.00 0.00 N ATOM 689 CA ALA A 44 0.115 2.743 6.681 1.00 0.00 C ATOM 690 C ALA A 44 1.078 1.580 6.901 1.00 0.00 C ATOM 691 O ALA A 44 1.079 0.618 6.135 1.00 0.00 O ATOM 692 CB ALA A 44 -0.975 2.737 7.750 1.00 0.00 C ATOM 0 H ALA A 44 -0.418 1.687 4.968 1.00 0.00 H new ATOM 0 HA ALA A 44 0.667 3.680 6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.518 2.828 8.736 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.651 3.576 7.585 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.534 1.803 7.694 1.00 0.00 H new ATOM 698 N PHE A 45 1.863 1.650 7.979 1.00 0.00 N ATOM 699 CA PHE A 45 2.806 0.605 8.338 1.00 0.00 C ATOM 700 C PHE A 45 2.845 0.453 9.852 1.00 0.00 C ATOM 701 O PHE A 45 3.344 1.333 10.548 1.00 0.00 O ATOM 702 CB PHE A 45 4.189 0.955 7.790 1.00 0.00 C ATOM 703 CG PHE A 45 5.185 -0.181 7.874 1.00 0.00 C ATOM 704 CD1 PHE A 45 5.670 -0.598 9.121 1.00 0.00 C ATOM 705 CD2 PHE A 45 5.631 -0.812 6.705 1.00 0.00 C ATOM 706 CE1 PHE A 45 6.600 -1.642 9.198 1.00 0.00 C ATOM 707 CE2 PHE A 45 6.561 -1.857 6.783 1.00 0.00 C ATOM 708 CZ PHE A 45 7.046 -2.271 8.029 1.00 0.00 C ATOM 0 H PHE A 45 1.857 2.439 8.625 1.00 0.00 H new ATOM 0 HA PHE A 45 2.491 -0.344 7.903 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.090 1.263 6.749 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.581 1.811 8.339 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.326 -0.114 10.023 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.258 -0.493 5.743 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.974 -1.962 10.159 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.904 -2.343 5.882 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.764 -3.075 8.089 1.00 0.00 H new ATOM 718 N ALA A 46 2.329 -0.670 10.360 1.00 0.00 N ATOM 719 CA ALA A 46 2.275 -0.922 11.790 1.00 0.00 C ATOM 720 C ALA A 46 1.568 0.222 12.515 1.00 0.00 C ATOM 721 O ALA A 46 1.717 0.376 13.725 1.00 0.00 O ATOM 722 CB ALA A 46 3.690 -1.128 12.324 1.00 0.00 C ATOM 0 H ALA A 46 1.941 -1.421 9.790 1.00 0.00 H new ATOM 0 HA ALA A 46 1.698 -1.828 11.974 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.650 -1.317 13.397 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.148 -1.980 11.822 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.284 -0.234 12.135 1.00 0.00 H new ATOM 728 N GLY A 47 0.791 1.017 11.772 1.00 0.00 N ATOM 729 CA GLY A 47 0.037 2.123 12.333 1.00 0.00 C ATOM 730 C GLY A 47 0.682 3.460 11.983 1.00 0.00 C ATOM 731 O GLY A 47 0.047 4.504 12.111 1.00 0.00 O ATOM 0 H GLY A 47 0.673 0.905 10.765 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.985 2.099 11.956 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.021 2.016 13.416 1.00 0.00 H new ATOM 735 N LYS A 48 1.913 3.428 11.465 1.00 0.00 N ATOM 736 CA LYS A 48 2.592 4.640 11.047 1.00 0.00 C ATOM 737 C LYS A 48 2.019 5.099 9.715 1.00 0.00 C ATOM 738 O LYS A 48 2.008 4.337 8.750 1.00 0.00 O ATOM 739 CB LYS A 48 4.091 4.375 10.910 1.00 0.00 C ATOM 740 CG LYS A 48 4.666 3.862 12.229 1.00 0.00 C ATOM 741 CD LYS A 48 6.177 3.693 12.090 1.00 0.00 C ATOM 742 CE LYS A 48 6.761 3.215 13.417 1.00 0.00 C ATOM 743 NZ LYS A 48 8.225 3.091 13.337 1.00 0.00 N ATOM 0 H LYS A 48 2.452 2.573 11.328 1.00 0.00 H new ATOM 0 HA LYS A 48 2.442 5.420 11.794 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.266 3.644 10.121 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.603 5.291 10.615 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.439 4.561 13.034 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.205 2.910 12.494 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.402 2.975 11.302 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.634 4.639 11.799 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.495 3.916 14.208 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.325 2.252 13.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.596 2.765 14.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.475 2.404 12.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.640 4.016 13.105 1.00 0.00 H new ATOM 757 N GLN A 49 1.525 6.337 9.664 1.00 0.00 N ATOM 758 CA GLN A 49 0.967 6.884 8.443 1.00 0.00 C ATOM 759 C GLN A 49 2.078 7.083 7.421 1.00 0.00 C ATOM 760 O GLN A 49 3.200 7.431 7.782 1.00 0.00 O ATOM 761 CB GLN A 49 0.255 8.200 8.753 1.00 0.00 C ATOM 762 CG GLN A 49 1.235 9.227 9.318 1.00 0.00 C ATOM 763 CD GLN A 49 0.498 10.472 9.792 1.00 0.00 C ATOM 764 OE1 GLN A 49 -0.614 10.378 10.309 1.00 0.00 O ATOM 765 NE2 GLN A 49 1.103 11.642 9.592 1.00 0.00 N ATOM 0 H GLN A 49 1.504 6.975 10.460 1.00 0.00 H new ATOM 0 HA GLN A 49 0.237 6.192 8.022 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.206 8.591 7.846 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.548 8.024 9.469 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.790 8.789 10.148 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.964 9.499 8.555 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.026 11.671 9.159 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.643 12.508 9.872 1.00 0.00 H new ATOM 774 N LEU A 50 1.779 6.800 6.150 1.00 0.00 N ATOM 775 CA LEU A 50 2.750 6.930 5.079 1.00 0.00 C ATOM 776 C LEU A 50 2.384 8.120 4.204 1.00 0.00 C ATOM 777 O LEU A 50 1.222 8.516 4.152 1.00 0.00 O ATOM 778 CB LEU A 50 2.782 5.638 4.261 1.00 0.00 C ATOM 779 CG LEU A 50 3.164 4.451 5.147 1.00 0.00 C ATOM 780 CD1 LEU A 50 3.133 3.174 4.311 1.00 0.00 C ATOM 781 CD2 LEU A 50 4.568 4.637 5.723 1.00 0.00 C ATOM 0 H LEU A 50 0.861 6.477 5.844 1.00 0.00 H new ATOM 0 HA LEU A 50 3.743 7.100 5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.806 5.463 3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.498 5.735 3.445 1.00 0.00 H new ATOM 0 HG LEU A 50 2.453 4.384 5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.404 2.323 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.130 3.025 3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.843 3.261 3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.820 3.782 6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.288 4.715 4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.598 5.547 6.322 1.00 0.00 H new ATOM 793 N GLU A 51 3.372 8.675 3.499 1.00 0.00 N ATOM 794 CA GLU A 51 3.143 9.806 2.622 1.00 0.00 C ATOM 795 C GLU A 51 4.037 9.695 1.393 1.00 0.00 C ATOM 796 O GLU A 51 5.075 9.036 1.432 1.00 0.00 O ATOM 797 CB GLU A 51 3.426 11.095 3.393 1.00 0.00 C ATOM 798 CG GLU A 51 3.011 12.315 2.574 1.00 0.00 C ATOM 799 CD GLU A 51 3.209 13.590 3.380 1.00 0.00 C ATOM 800 OE1 GLU A 51 4.190 14.307 3.082 1.00 0.00 O ATOM 801 OE2 GLU A 51 2.422 13.791 4.330 1.00 0.00 O ATOM 0 H GLU A 51 4.339 8.352 3.524 1.00 0.00 H new ATOM 0 HA GLU A 51 2.107 9.817 2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.885 11.085 4.339 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.488 11.156 3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.599 12.362 1.657 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.966 12.223 2.278 1.00 0.00 H new ATOM 808 N ASP A 52 3.610 10.320 0.294 1.00 0.00 N ATOM 809 CA ASP A 52 4.356 10.327 -0.950 1.00 0.00 C ATOM 810 C ASP A 52 5.376 11.459 -0.951 1.00 0.00 C ATOM 811 O ASP A 52 5.283 12.386 -0.149 1.00 0.00 O ATOM 812 CB ASP A 52 3.385 10.479 -2.119 1.00 0.00 C ATOM 813 CG ASP A 52 2.566 11.760 -1.998 1.00 0.00 C ATOM 814 OD1 ASP A 52 1.457 11.669 -1.426 1.00 0.00 O ATOM 815 OD2 ASP A 52 2.998 12.773 -2.589 1.00 0.00 O ATOM 0 H ASP A 52 2.731 10.836 0.250 1.00 0.00 H new ATOM 0 HA ASP A 52 4.896 9.386 -1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.940 10.488 -3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.716 9.619 -2.153 1.00 0.00 H new ATOM 820 N GLY A 53 6.347 11.387 -1.866 1.00 0.00 N ATOM 821 CA GLY A 53 7.357 12.419 -2.006 1.00 0.00 C ATOM 822 C GLY A 53 8.727 11.879 -1.619 1.00 0.00 C ATOM 823 O GLY A 53 9.718 12.606 -1.677 1.00 0.00 O ATOM 0 H GLY A 53 6.448 10.613 -2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.378 12.778 -3.035 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.104 13.272 -1.376 1.00 0.00 H new ATOM 827 N ARG A 54 8.781 10.614 -1.195 1.00 0.00 N ATOM 828 CA ARG A 54 10.025 9.998 -0.782 1.00 0.00 C ATOM 829 C ARG A 54 10.094 8.566 -1.300 1.00 0.00 C ATOM 830 O ARG A 54 9.063 7.927 -1.502 1.00 0.00 O ATOM 831 CB ARG A 54 10.106 10.041 0.744 1.00 0.00 C ATOM 832 CG ARG A 54 11.426 9.458 1.241 1.00 0.00 C ATOM 833 CD ARG A 54 11.497 9.609 2.760 1.00 0.00 C ATOM 834 NE ARG A 54 12.748 9.068 3.293 1.00 0.00 N ATOM 835 CZ ARG A 54 13.227 9.364 4.511 1.00 0.00 C ATOM 836 NH1 ARG A 54 12.544 10.182 5.325 1.00 0.00 N ATOM 837 NH2 ARG A 54 14.395 8.849 4.910 1.00 0.00 N ATOM 0 H ARG A 54 7.968 10.001 -1.132 1.00 0.00 H new ATOM 0 HA ARG A 54 10.874 10.540 -1.198 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.007 11.071 1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.274 9.481 1.171 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.501 8.407 0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.265 9.972 0.772 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.412 10.662 3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.652 9.095 3.218 1.00 0.00 H new ATOM 0 HE ARG A 54 13.286 8.430 2.706 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.657 10.582 5.019 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.912 10.404 6.250 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.919 8.233 4.289 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.761 9.072 5.835 1.00 0.00 H new ATOM 851 N THR A 55 11.316 8.047 -1.444 1.00 0.00 N ATOM 852 CA THR A 55 11.550 6.674 -1.849 1.00 0.00 C ATOM 853 C THR A 55 10.916 5.745 -0.821 1.00 0.00 C ATOM 854 O THR A 55 11.279 5.782 0.352 1.00 0.00 O ATOM 855 CB THR A 55 13.060 6.445 -1.935 1.00 0.00 C ATOM 856 OG1 THR A 55 13.635 7.415 -2.783 1.00 0.00 O ATOM 857 CG2 THR A 55 13.358 5.056 -2.489 1.00 0.00 C ATOM 0 H THR A 55 12.171 8.578 -1.280 1.00 0.00 H new ATOM 0 HA THR A 55 11.105 6.471 -2.823 1.00 0.00 H new ATOM 0 HB THR A 55 13.483 6.526 -0.934 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.603 7.270 -2.837 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.437 4.910 -2.544 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.922 4.302 -1.834 1.00 0.00 H new ATOM 0 HG23 THR A 55 12.928 4.962 -3.486 1.00 0.00 H new ATOM 865 N LEU A 56 9.950 4.928 -1.250 1.00 0.00 N ATOM 866 CA LEU A 56 9.212 4.084 -0.328 1.00 0.00 C ATOM 867 C LEU A 56 10.142 3.091 0.366 1.00 0.00 C ATOM 868 O LEU A 56 9.940 2.778 1.537 1.00 0.00 O ATOM 869 CB LEU A 56 8.087 3.361 -1.077 1.00 0.00 C ATOM 870 CG LEU A 56 8.632 2.393 -2.130 1.00 0.00 C ATOM 871 CD1 LEU A 56 8.773 0.990 -1.540 1.00 0.00 C ATOM 872 CD2 LEU A 56 7.654 2.332 -3.301 1.00 0.00 C ATOM 0 H LEU A 56 9.667 4.839 -2.226 1.00 0.00 H new ATOM 0 HA LEU A 56 8.768 4.709 0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.470 2.813 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.441 4.095 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 56 9.609 2.745 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.162 0.313 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.460 1.018 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.798 0.637 -1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.034 1.645 -4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.684 1.983 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.545 3.325 -3.736 1.00 0.00 H new ATOM 884 N SER A 57 11.199 2.650 -0.323 1.00 0.00 N ATOM 885 CA SER A 57 12.126 1.687 0.247 1.00 0.00 C ATOM 886 C SER A 57 13.029 2.361 1.271 1.00 0.00 C ATOM 887 O SER A 57 13.615 1.688 2.116 1.00 0.00 O ATOM 888 CB SER A 57 12.963 1.074 -0.872 1.00 0.00 C ATOM 889 OG SER A 57 12.115 0.390 -1.767 1.00 0.00 O ATOM 0 H SER A 57 11.427 2.947 -1.272 1.00 0.00 H new ATOM 0 HA SER A 57 11.564 0.902 0.753 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.514 1.853 -1.399 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.701 0.388 -0.456 1.00 0.00 H new ATOM 0 HG SER A 57 12.543 -0.445 -2.049 1.00 0.00 H new ATOM 895 N ASP A 58 13.137 3.689 1.202 1.00 0.00 N ATOM 896 CA ASP A 58 13.934 4.442 2.150 1.00 0.00 C ATOM 897 C ASP A 58 13.051 4.944 3.288 1.00 0.00 C ATOM 898 O ASP A 58 13.554 5.379 4.321 1.00 0.00 O ATOM 899 CB ASP A 58 14.599 5.611 1.428 1.00 0.00 C ATOM 900 CG ASP A 58 15.604 6.309 2.332 1.00 0.00 C ATOM 901 OD1 ASP A 58 15.275 7.422 2.797 1.00 0.00 O ATOM 902 OD2 ASP A 58 16.721 5.763 2.464 1.00 0.00 O ATOM 0 H ASP A 58 12.677 4.260 0.493 1.00 0.00 H new ATOM 0 HA ASP A 58 14.706 3.801 2.575 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.101 5.250 0.530 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.840 6.323 1.105 1.00 0.00 H new ATOM 907 N TYR A 59 11.731 4.882 3.093 1.00 0.00 N ATOM 908 CA TYR A 59 10.781 5.391 4.061 1.00 0.00 C ATOM 909 C TYR A 59 10.584 4.400 5.205 1.00 0.00 C ATOM 910 O TYR A 59 11.011 4.662 6.327 1.00 0.00 O ATOM 911 CB TYR A 59 9.457 5.688 3.357 1.00 0.00 C ATOM 912 CG TYR A 59 8.737 6.897 3.906 1.00 0.00 C ATOM 913 CD1 TYR A 59 8.266 7.882 3.028 1.00 0.00 C ATOM 914 CD2 TYR A 59 8.535 7.031 5.286 1.00 0.00 C ATOM 915 CE1 TYR A 59 7.595 9.006 3.526 1.00 0.00 C ATOM 916 CE2 TYR A 59 7.860 8.149 5.793 1.00 0.00 C ATOM 917 CZ TYR A 59 7.388 9.143 4.913 1.00 0.00 C ATOM 918 OH TYR A 59 6.727 10.232 5.399 1.00 0.00 O ATOM 0 H TYR A 59 11.302 4.478 2.261 1.00 0.00 H new ATOM 0 HA TYR A 59 11.169 6.313 4.494 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.646 5.840 2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.806 4.818 3.443 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.421 7.774 1.965 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.900 6.271 5.960 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.237 9.767 2.848 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.702 8.249 6.857 1.00 0.00 H new ATOM 0 HH TYR A 59 6.669 10.171 6.375 1.00 0.00 H new ATOM 928 N ASN A 60 9.894 3.286 4.935 1.00 0.00 N ATOM 929 CA ASN A 60 9.588 2.305 5.964 1.00 0.00 C ATOM 930 C ASN A 60 9.464 0.905 5.369 1.00 0.00 C ATOM 931 O ASN A 60 9.591 -0.079 6.094 1.00 0.00 O ATOM 932 CB ASN A 60 8.280 2.686 6.659 1.00 0.00 C ATOM 933 CG ASN A 60 8.518 3.694 7.774 1.00 0.00 C ATOM 934 OD1 ASN A 60 9.261 3.419 8.713 1.00 0.00 O ATOM 935 ND2 ASN A 60 7.832 4.836 7.709 1.00 0.00 N ATOM 0 H ASN A 60 9.540 3.048 4.009 1.00 0.00 H new ATOM 0 HA ASN A 60 10.404 2.298 6.687 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.587 3.105 5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.810 1.792 7.069 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.913 5.523 8.459 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.226 5.022 6.910 1.00 0.00 H new ATOM 942 N ILE A 61 9.149 0.804 4.073 1.00 0.00 N ATOM 943 CA ILE A 61 8.960 -0.492 3.443 1.00 0.00 C ATOM 944 C ILE A 61 10.198 -1.350 3.674 1.00 0.00 C ATOM 945 O ILE A 61 11.323 -0.883 3.507 1.00 0.00 O ATOM 946 CB ILE A 61 8.690 -0.310 1.946 1.00 0.00 C ATOM 947 CG1 ILE A 61 7.216 0.033 1.719 1.00 0.00 C ATOM 948 CG2 ILE A 61 8.985 -1.616 1.208 1.00 0.00 C ATOM 949 CD1 ILE A 61 6.939 1.485 2.100 1.00 0.00 C ATOM 0 H ILE A 61 9.022 1.602 3.450 1.00 0.00 H new ATOM 0 HA ILE A 61 8.099 -0.995 3.884 1.00 0.00 H new ATOM 0 HB ILE A 61 9.327 0.493 1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.956 -0.131 0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.587 -0.631 2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.792 -1.484 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.030 -1.890 1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.344 -2.407 1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.886 1.711 1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.179 1.637 3.152 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.554 2.145 1.488 1.00 0.00 H new ATOM 961 N GLN A 62 9.983 -2.615 4.046 1.00 0.00 N ATOM 962 CA GLN A 62 11.065 -3.554 4.272 1.00 0.00 C ATOM 963 C GLN A 62 10.730 -4.878 3.599 1.00 0.00 C ATOM 964 O GLN A 62 9.606 -5.076 3.141 1.00 0.00 O ATOM 965 CB GLN A 62 11.279 -3.734 5.774 1.00 0.00 C ATOM 966 CG GLN A 62 12.042 -2.531 6.327 1.00 0.00 C ATOM 967 CD GLN A 62 12.232 -2.642 7.834 1.00 0.00 C ATOM 968 OE1 GLN A 62 12.508 -3.722 8.352 1.00 0.00 O ATOM 969 NE2 GLN A 62 12.091 -1.519 8.539 1.00 0.00 N ATOM 0 H GLN A 62 9.054 -3.008 4.196 1.00 0.00 H new ATOM 0 HA GLN A 62 11.991 -3.173 3.840 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.319 -3.833 6.280 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.836 -4.651 5.966 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.014 -2.459 5.840 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.500 -1.615 6.093 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.861 -0.645 8.066 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.213 -1.534 9.552 1.00 0.00 H new ATOM 978 N LYS A 63 11.713 -5.778 3.527 1.00 0.00 N ATOM 979 CA LYS A 63 11.541 -7.058 2.866 1.00 0.00 C ATOM 980 C LYS A 63 10.454 -7.874 3.554 1.00 0.00 C ATOM 981 O LYS A 63 10.517 -8.112 4.758 1.00 0.00 O ATOM 982 CB LYS A 63 12.869 -7.819 2.840 1.00 0.00 C ATOM 983 CG LYS A 63 13.407 -8.072 4.249 1.00 0.00 C ATOM 984 CD LYS A 63 14.682 -8.905 4.152 1.00 0.00 C ATOM 985 CE LYS A 63 15.153 -9.286 5.553 1.00 0.00 C ATOM 986 NZ LYS A 63 16.327 -10.173 5.494 1.00 0.00 N ATOM 0 H LYS A 63 12.641 -5.635 3.924 1.00 0.00 H new ATOM 0 HA LYS A 63 11.226 -6.884 1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.732 -8.771 2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.602 -7.251 2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.613 -7.126 4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.661 -8.594 4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.498 -9.803 3.563 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.459 -8.340 3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.402 -8.385 6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.345 -9.783 6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.627 -10.417 6.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.080 -11.042 4.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.104 -9.688 5.002 1.00 0.00 H new ATOM 1000 N GLU A 64 9.441 -8.279 2.783 1.00 0.00 N ATOM 1001 CA GLU A 64 8.372 -9.134 3.265 1.00 0.00 C ATOM 1002 C GLU A 64 7.871 -8.680 4.634 1.00 0.00 C ATOM 1003 O GLU A 64 7.638 -9.509 5.512 1.00 0.00 O ATOM 1004 CB GLU A 64 8.855 -10.586 3.304 1.00 0.00 C ATOM 1005 CG GLU A 64 9.204 -11.072 1.896 1.00 0.00 C ATOM 1006 CD GLU A 64 10.580 -10.578 1.466 1.00 0.00 C ATOM 1007 OE1 GLU A 64 10.627 -9.796 0.491 1.00 0.00 O ATOM 1008 OE2 GLU A 64 11.566 -11.018 2.096 1.00 0.00 O ATOM 0 H GLU A 64 9.346 -8.017 1.802 1.00 0.00 H new ATOM 0 HA GLU A 64 7.529 -9.062 2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.729 -10.668 3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.081 -11.222 3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.181 -12.161 1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.452 -10.720 1.190 1.00 0.00 H new ATOM 1015 N SER A 65 7.681 -7.369 4.813 1.00 0.00 N ATOM 1016 CA SER A 65 7.111 -6.856 6.046 1.00 0.00 C ATOM 1017 C SER A 65 5.643 -6.511 5.811 1.00 0.00 C ATOM 1018 O SER A 65 5.257 -6.156 4.700 1.00 0.00 O ATOM 1019 CB SER A 65 7.895 -5.627 6.495 1.00 0.00 C ATOM 1020 OG SER A 65 9.197 -6.018 6.870 1.00 0.00 O ATOM 0 H SER A 65 7.914 -6.656 4.122 1.00 0.00 H new ATOM 0 HA SER A 65 7.172 -7.609 6.832 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.940 -4.895 5.688 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.391 -5.146 7.334 1.00 0.00 H new ATOM 0 HG SER A 65 9.533 -5.414 7.565 1.00 0.00 H new ATOM 1026 N THR A 66 4.840 -6.551 6.876 1.00 0.00 N ATOM 1027 CA THR A 66 3.407 -6.344 6.770 1.00 0.00 C ATOM 1028 C THR A 66 3.077 -4.857 6.742 1.00 0.00 C ATOM 1029 O THR A 66 3.586 -4.090 7.558 1.00 0.00 O ATOM 1030 CB THR A 66 2.722 -7.005 7.965 1.00 0.00 C ATOM 1031 OG1 THR A 66 3.121 -8.355 8.049 1.00 0.00 O ATOM 1032 CG2 THR A 66 1.205 -6.932 7.809 1.00 0.00 C ATOM 0 H THR A 66 5.168 -6.727 7.826 1.00 0.00 H new ATOM 0 HA THR A 66 3.050 -6.789 5.841 1.00 0.00 H new ATOM 0 HB THR A 66 3.011 -6.479 8.875 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.683 -8.778 8.817 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.728 -7.406 8.667 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.895 -5.889 7.752 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.908 -7.449 6.897 1.00 0.00 H new ATOM 1040 N LEU A 67 2.172 -4.467 5.840 1.00 0.00 N ATOM 1041 CA LEU A 67 1.685 -3.102 5.763 1.00 0.00 C ATOM 1042 C LEU A 67 0.215 -3.080 6.169 1.00 0.00 C ATOM 1043 O LEU A 67 -0.384 -4.130 6.397 1.00 0.00 O ATOM 1044 CB LEU A 67 1.858 -2.567 4.340 1.00 0.00 C ATOM 1045 CG LEU A 67 3.267 -2.008 4.129 1.00 0.00 C ATOM 1046 CD1 LEU A 67 4.284 -3.139 3.992 1.00 0.00 C ATOM 1047 CD2 LEU A 67 3.285 -1.178 2.847 1.00 0.00 C ATOM 0 H LEU A 67 1.762 -5.093 5.147 1.00 0.00 H new ATOM 0 HA LEU A 67 2.255 -2.464 6.439 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.669 -3.365 3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.121 -1.786 4.150 1.00 0.00 H new ATOM 0 HG LEU A 67 3.532 -1.395 4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.278 -2.718 3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.279 -3.745 4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.022 -3.762 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.285 -0.775 2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.009 -1.808 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.573 -0.357 2.935 1.00 0.00 H new ATOM 1059 N HIS A 68 -0.366 -1.881 6.273 1.00 0.00 N ATOM 1060 CA HIS A 68 -1.754 -1.726 6.668 1.00 0.00 C ATOM 1061 C HIS A 68 -2.459 -0.780 5.704 1.00 0.00 C ATOM 1062 O HIS A 68 -1.941 0.291 5.395 1.00 0.00 O ATOM 1063 CB HIS A 68 -1.817 -1.205 8.103 1.00 0.00 C ATOM 1064 CG HIS A 68 -3.224 -1.079 8.620 1.00 0.00 C ATOM 1065 ND1 HIS A 68 -4.259 -1.947 8.373 1.00 0.00 N ATOM 1066 CD2 HIS A 68 -3.686 -0.097 9.448 1.00 0.00 C ATOM 1067 CE1 HIS A 68 -5.335 -1.487 9.040 1.00 0.00 C ATOM 1068 NE2 HIS A 68 -5.036 -0.358 9.713 1.00 0.00 N ATOM 0 H HIS A 68 0.115 -1.001 6.086 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.263 -2.689 6.629 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.256 -1.876 8.753 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.329 -0.232 8.152 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.112 0.734 9.831 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.306 -1.959 9.036 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.665 0.194 10.296 1.00 0.00 H new ATOM 1076 N LEU A 69 -3.633 -1.185 5.213 1.00 0.00 N ATOM 1077 CA LEU A 69 -4.383 -0.399 4.249 1.00 0.00 C ATOM 1078 C LEU A 69 -5.785 -0.137 4.784 1.00 0.00 C ATOM 1079 O LEU A 69 -6.362 -0.985 5.462 1.00 0.00 O ATOM 1080 CB LEU A 69 -4.444 -1.170 2.927 1.00 0.00 C ATOM 1081 CG LEU A 69 -5.080 -0.325 1.820 1.00 0.00 C ATOM 1082 CD1 LEU A 69 -4.073 0.698 1.302 1.00 0.00 C ATOM 1083 CD2 LEU A 69 -5.501 -1.231 0.667 1.00 0.00 C ATOM 0 H LEU A 69 -4.082 -2.062 5.475 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.895 0.561 4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.438 -1.466 2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.018 -2.086 3.064 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.950 0.192 2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.533 1.295 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.764 1.350 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.201 0.180 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.954 -0.630 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.626 -1.748 0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.224 -1.964 1.025 1.00 0.00 H new ATOM 1095 N ALA A 70 -6.347 1.022 4.433 1.00 0.00 N ATOM 1096 CA ALA A 70 -7.703 1.381 4.804 1.00 0.00 C ATOM 1097 C ALA A 70 -8.469 1.754 3.542 1.00 0.00 C ATOM 1098 O ALA A 70 -7.888 2.315 2.616 1.00 0.00 O ATOM 1099 CB ALA A 70 -7.675 2.539 5.798 1.00 0.00 C ATOM 0 H ALA A 70 -5.867 1.734 3.882 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.203 0.541 5.286 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.695 2.806 6.074 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.124 2.240 6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.186 3.399 5.341 1.00 0.00 H new ATOM 1105 N LEU A 71 -9.756 1.398 3.481 1.00 0.00 N ATOM 1106 CA LEU A 71 -10.557 1.624 2.291 1.00 0.00 C ATOM 1107 C LEU A 71 -11.689 2.599 2.595 1.00 0.00 C ATOM 1108 O LEU A 71 -11.894 2.983 3.745 1.00 0.00 O ATOM 1109 CB LEU A 71 -11.135 0.298 1.785 1.00 0.00 C ATOM 1110 CG LEU A 71 -10.072 -0.639 1.196 1.00 0.00 C ATOM 1111 CD1 LEU A 71 -9.153 0.118 0.238 1.00 0.00 C ATOM 1112 CD2 LEU A 71 -9.238 -1.295 2.296 1.00 0.00 C ATOM 0 H LEU A 71 -10.259 0.952 4.248 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.919 2.052 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.641 -0.208 2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.889 0.504 1.026 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.596 -1.420 0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.407 -0.566 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.743 0.537 -0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.652 0.924 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.494 -1.952 1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.735 -0.524 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.889 -1.877 2.948 1.00 0.00 H new ATOM 1124 N ARG A 72 -12.428 2.983 1.551 1.00 0.00 N ATOM 1125 CA ARG A 72 -13.544 3.906 1.658 1.00 0.00 C ATOM 1126 C ARG A 72 -14.725 3.248 2.359 1.00 0.00 C ATOM 1127 O ARG A 72 -14.748 2.032 2.543 1.00 0.00 O ATOM 1128 CB ARG A 72 -13.960 4.352 0.256 1.00 0.00 C ATOM 1129 CG ARG A 72 -14.306 3.128 -0.595 1.00 0.00 C ATOM 1130 CD ARG A 72 -15.044 3.562 -1.858 1.00 0.00 C ATOM 1131 NE ARG A 72 -16.403 4.005 -1.541 1.00 0.00 N ATOM 1132 CZ ARG A 72 -17.159 4.732 -2.374 1.00 0.00 C ATOM 1133 NH1 ARG A 72 -16.666 5.129 -3.555 1.00 0.00 N ATOM 1134 NH2 ARG A 72 -18.408 5.062 -2.025 1.00 0.00 N ATOM 0 H ARG A 72 -12.261 2.654 0.600 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.234 4.769 2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.820 5.019 0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.152 4.915 -0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.396 2.591 -0.862 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -14.925 2.439 -0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.498 4.370 -2.344 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.083 2.733 -2.565 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.796 3.746 -0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.714 4.878 -3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -17.243 5.683 -4.188 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.783 4.760 -1.126 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.985 5.616 -2.658 1.00 0.00 H new ATOM 1148 N LEU A 73 -15.728 4.058 2.708 1.00 0.00 N ATOM 1149 CA LEU A 73 -16.963 3.565 3.289 1.00 0.00 C ATOM 1150 C LEU A 73 -17.820 2.946 2.189 1.00 0.00 C ATOM 1151 O LEU A 73 -17.568 3.174 1.007 1.00 0.00 O ATOM 1152 CB LEU A 73 -17.716 4.727 3.938 1.00 0.00 C ATOM 1153 CG LEU A 73 -16.912 5.327 5.091 1.00 0.00 C ATOM 1154 CD1 LEU A 73 -17.624 6.582 5.588 1.00 0.00 C ATOM 1155 CD2 LEU A 73 -16.801 4.320 6.235 1.00 0.00 C ATOM 0 H LEU A 73 -15.699 5.071 2.593 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.743 2.812 4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.918 5.496 3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.681 4.379 4.306 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.910 5.577 4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -17.059 7.019 6.411 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.698 7.304 4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -18.624 6.320 5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -16.226 4.758 7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -17.798 4.063 6.591 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -16.299 3.420 5.880 1.00 0.00 H new ATOM 1167 N ARG A 74 -18.873 2.218 2.574 1.00 0.00 N ATOM 1168 CA ARG A 74 -19.811 1.664 1.612 1.00 0.00 C ATOM 1169 C ARG A 74 -20.760 2.763 1.147 1.00 0.00 C ATOM 1170 O ARG A 74 -21.187 2.775 -0.006 1.00 0.00 O ATOM 1171 CB ARG A 74 -20.585 0.507 2.247 1.00 0.00 C ATOM 1172 CG ARG A 74 -21.434 -0.182 1.178 1.00 0.00 C ATOM 1173 CD ARG A 74 -22.006 -1.487 1.724 1.00 0.00 C ATOM 1174 NE ARG A 74 -22.958 -1.232 2.804 1.00 0.00 N ATOM 1175 CZ ARG A 74 -23.219 -2.113 3.778 1.00 0.00 C ATOM 1176 NH1 ARG A 74 -22.583 -3.293 3.800 1.00 0.00 N ATOM 1177 NH2 ARG A 74 -24.140 -1.829 4.708 1.00 0.00 N ATOM 0 H ARG A 74 -19.091 2.003 3.547 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.271 1.277 0.748 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -19.893 -0.207 2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -21.222 0.878 3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -22.244 0.477 0.866 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -20.828 -0.383 0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -22.500 -2.035 0.922 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -21.196 -2.118 2.090 1.00 0.00 H new ATOM 0 HE ARG A 74 -23.448 -0.338 2.816 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -21.901 -3.519 3.075 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -22.781 -3.965 4.541 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -24.642 -0.942 4.674 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -24.339 -2.500 5.450 1.00 0.00 H new ATOM 1191 N GLY A 75 -21.082 3.693 2.051 1.00 0.00 N ATOM 1192 CA GLY A 75 -21.956 4.811 1.745 1.00 0.00 C ATOM 1193 C GLY A 75 -23.412 4.450 2.012 1.00 0.00 C ATOM 1194 O GLY A 75 -24.299 5.288 1.859 1.00 0.00 O ATOM 0 H GLY A 75 -20.741 3.685 3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -21.674 5.674 2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -21.834 5.098 0.701 1.00 0.00 H new ATOM 1198 N GLY A 76 -23.654 3.202 2.420 1.00 0.00 N ATOM 1199 CA GLY A 76 -24.987 2.715 2.715 1.00 0.00 C ATOM 1200 C GLY A 76 -24.972 1.195 2.768 1.00 0.00 C ATOM 1201 O GLY A 76 -25.001 0.664 3.899 1.00 0.00 O ATOM 0 H GLY A 76 -22.922 2.504 2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -25.331 3.119 3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -25.687 3.056 1.952 1.00 0.00 H new TER 1205 GLY A 76