USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=13 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 134:sc= 1.21 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0.969 (180deg=0.823) USER MOD Single : A 2 GLN : amide:sc= 1 K(o=1,f=-1.3) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -73:sc= 1.19 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.057 K(o=0.057,f=-5.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= 0.504 (180deg=0.283) USER MOD Single : A 31 GLN : amide:sc= -0.599 K(o=-0.6,f=-1.9) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.225 K(o=0.23,f=-5.3!) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.378 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.07) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.102 -8.038 -1.770 1.00 0.00 N ATOM 2 CA MET A 1 11.533 -8.756 -2.921 1.00 0.00 C ATOM 3 C MET A 1 10.092 -8.318 -3.157 1.00 0.00 C ATOM 4 O MET A 1 9.800 -7.650 -4.147 1.00 0.00 O ATOM 5 CB MET A 1 11.615 -10.267 -2.699 1.00 0.00 C ATOM 6 CG MET A 1 11.028 -11.008 -3.895 1.00 0.00 C ATOM 7 SD MET A 1 10.930 -12.799 -3.661 1.00 0.00 S ATOM 8 CE MET A 1 9.955 -13.213 -5.128 1.00 0.00 C ATOM 0 H1 MET A 1 13.135 -8.159 -1.761 1.00 0.00 H new ATOM 0 H2 MET A 1 11.873 -7.026 -1.844 1.00 0.00 H new ATOM 0 H3 MET A 1 11.701 -8.420 -0.890 1.00 0.00 H new ATOM 0 HA MET A 1 12.114 -8.511 -3.810 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.653 -10.564 -2.552 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.074 -10.539 -1.793 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.029 -10.621 -4.097 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.635 -10.798 -4.776 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.787 -14.289 -5.161 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.996 -12.697 -5.085 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.494 -12.902 -6.023 1.00 0.00 H new ATOM 18 N GLN A 2 9.190 -8.707 -2.254 1.00 0.00 N ATOM 19 CA GLN A 2 7.785 -8.354 -2.348 1.00 0.00 C ATOM 20 C GLN A 2 7.308 -7.830 -1.001 1.00 0.00 C ATOM 21 O GLN A 2 8.077 -7.787 -0.044 1.00 0.00 O ATOM 22 CB GLN A 2 6.981 -9.581 -2.778 1.00 0.00 C ATOM 23 CG GLN A 2 7.213 -9.848 -4.265 1.00 0.00 C ATOM 24 CD GLN A 2 6.507 -11.118 -4.720 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.102 -11.939 -3.900 1.00 0.00 O ATOM 26 NE2 GLN A 2 6.372 -11.286 -6.036 1.00 0.00 N ATOM 0 H GLN A 2 9.420 -9.276 -1.439 1.00 0.00 H new ATOM 0 HA GLN A 2 7.642 -7.572 -3.093 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.281 -10.449 -2.191 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.920 -9.418 -2.588 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.852 -9.001 -4.849 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.282 -9.936 -4.458 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.724 -10.577 -6.679 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.917 -12.123 -6.399 1.00 0.00 H new ATOM 35 N ILE A 3 6.042 -7.415 -0.931 1.00 0.00 N ATOM 36 CA ILE A 3 5.445 -6.949 0.307 1.00 0.00 C ATOM 37 C ILE A 3 4.034 -7.511 0.424 1.00 0.00 C ATOM 38 O ILE A 3 3.550 -8.167 -0.496 1.00 0.00 O ATOM 39 CB ILE A 3 5.436 -5.418 0.342 1.00 0.00 C ATOM 40 CG1 ILE A 3 4.615 -4.881 -0.833 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.874 -4.902 0.270 1.00 0.00 C ATOM 42 CD1 ILE A 3 4.431 -3.368 -0.724 1.00 0.00 C ATOM 0 H ILE A 3 5.410 -7.395 -1.731 1.00 0.00 H new ATOM 0 HA ILE A 3 6.032 -7.298 1.156 1.00 0.00 H new ATOM 0 HB ILE A 3 4.982 -5.073 1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.114 -5.124 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.641 -5.369 -0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.871 -3.812 0.295 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.440 -5.283 1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.337 -5.243 -0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.845 -3.011 -1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.911 -3.131 0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.406 -2.882 -0.728 1.00 0.00 H new ATOM 54 N PHE A 4 3.367 -7.246 1.549 1.00 0.00 N ATOM 55 CA PHE A 4 2.028 -7.750 1.783 1.00 0.00 C ATOM 56 C PHE A 4 1.141 -6.632 2.307 1.00 0.00 C ATOM 57 O PHE A 4 1.247 -6.242 3.467 1.00 0.00 O ATOM 58 CB PHE A 4 2.082 -8.913 2.773 1.00 0.00 C ATOM 59 CG PHE A 4 2.763 -10.144 2.221 1.00 0.00 C ATOM 60 CD1 PHE A 4 1.994 -11.217 1.752 1.00 0.00 C ATOM 61 CD2 PHE A 4 4.162 -10.214 2.177 1.00 0.00 C ATOM 62 CE1 PHE A 4 2.623 -12.359 1.240 1.00 0.00 C ATOM 63 CE2 PHE A 4 4.790 -11.353 1.658 1.00 0.00 C ATOM 64 CZ PHE A 4 4.021 -12.426 1.189 1.00 0.00 C ATOM 0 H PHE A 4 3.742 -6.681 2.311 1.00 0.00 H new ATOM 0 HA PHE A 4 1.605 -8.113 0.846 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.606 -8.590 3.672 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.066 -9.173 3.072 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.916 -11.164 1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.756 -9.390 2.543 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.030 -13.188 0.884 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.868 -11.404 1.619 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.506 -13.304 0.788 1.00 0.00 H new ATOM 74 N VAL A 5 0.264 -6.113 1.445 1.00 0.00 N ATOM 75 CA VAL A 5 -0.655 -5.059 1.824 1.00 0.00 C ATOM 76 C VAL A 5 -1.979 -5.689 2.230 1.00 0.00 C ATOM 77 O VAL A 5 -2.602 -6.390 1.438 1.00 0.00 O ATOM 78 CB VAL A 5 -0.848 -4.102 0.646 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.772 -2.959 1.062 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.500 -3.526 0.218 1.00 0.00 C ATOM 0 H VAL A 5 0.178 -6.414 0.474 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.257 -4.491 2.665 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.290 -4.649 -0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.909 -2.278 0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.739 -3.363 1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.329 -2.419 1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.355 -2.846 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.945 -2.984 1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.163 -4.337 -0.083 1.00 0.00 H new ATOM 90 N LYS A 6 -2.401 -5.452 3.474 1.00 0.00 N ATOM 91 CA LYS A 6 -3.619 -6.044 3.990 1.00 0.00 C ATOM 92 C LYS A 6 -4.717 -4.992 4.038 1.00 0.00 C ATOM 93 O LYS A 6 -4.601 -4.002 4.757 1.00 0.00 O ATOM 94 CB LYS A 6 -3.343 -6.631 5.373 1.00 0.00 C ATOM 95 CG LYS A 6 -4.553 -7.424 5.863 1.00 0.00 C ATOM 96 CD LYS A 6 -4.199 -8.118 7.176 1.00 0.00 C ATOM 97 CE LYS A 6 -5.390 -8.939 7.663 1.00 0.00 C ATOM 98 NZ LYS A 6 -5.071 -9.644 8.914 1.00 0.00 N ATOM 0 H LYS A 6 -1.910 -4.852 4.137 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.956 -6.849 3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.467 -7.279 5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.115 -5.830 6.077 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.405 -6.759 6.007 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.847 -8.161 5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.333 -8.765 7.034 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.924 -7.377 7.927 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.247 -8.284 7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.675 -9.661 6.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.898 -10.194 9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.268 -10.285 8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.822 -8.952 9.649 1.00 0.00 H new ATOM 112 N THR A 7 -5.749 -5.174 3.211 1.00 0.00 N ATOM 113 CA THR A 7 -6.858 -4.242 3.135 1.00 0.00 C ATOM 114 C THR A 7 -7.619 -4.228 4.455 1.00 0.00 C ATOM 115 O THR A 7 -7.343 -5.030 5.345 1.00 0.00 O ATOM 116 CB THR A 7 -7.782 -4.658 1.993 1.00 0.00 C ATOM 117 OG1 THR A 7 -8.221 -5.977 2.215 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.036 -4.592 0.662 1.00 0.00 C ATOM 0 H THR A 7 -5.832 -5.971 2.580 1.00 0.00 H new ATOM 0 HA THR A 7 -6.481 -3.237 2.946 1.00 0.00 H new ATOM 0 HB THR A 7 -8.635 -3.980 1.956 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.188 -6.029 2.066 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.705 -4.891 -0.145 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.691 -3.573 0.489 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.179 -5.265 0.691 1.00 0.00 H new ATOM 126 N ALA A 8 -8.603 -3.332 4.569 1.00 0.00 N ATOM 127 CA ALA A 8 -9.418 -3.238 5.764 1.00 0.00 C ATOM 128 C ALA A 8 -10.381 -4.419 5.841 1.00 0.00 C ATOM 129 O ALA A 8 -11.022 -4.628 6.869 1.00 0.00 O ATOM 130 CB ALA A 8 -10.192 -1.923 5.743 1.00 0.00 C ATOM 0 H ALA A 8 -8.848 -2.662 3.840 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.775 -3.264 6.644 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.806 -1.848 6.640 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.491 -1.089 5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.832 -1.892 4.861 1.00 0.00 H new ATOM 136 N THR A 9 -10.484 -5.193 4.756 1.00 0.00 N ATOM 137 CA THR A 9 -11.338 -6.368 4.729 1.00 0.00 C ATOM 138 C THR A 9 -10.559 -7.578 5.233 1.00 0.00 C ATOM 139 O THR A 9 -11.105 -8.676 5.324 1.00 0.00 O ATOM 140 CB THR A 9 -11.847 -6.602 3.307 1.00 0.00 C ATOM 141 OG1 THR A 9 -10.755 -6.715 2.424 1.00 0.00 O ATOM 142 CG2 THR A 9 -12.725 -5.431 2.872 1.00 0.00 C ATOM 0 H THR A 9 -9.981 -5.020 3.885 1.00 0.00 H new ATOM 0 HA THR A 9 -12.197 -6.213 5.381 1.00 0.00 H new ATOM 0 HB THR A 9 -12.431 -7.522 3.286 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.085 -6.866 1.514 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.085 -5.603 1.858 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.575 -5.343 3.549 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.143 -4.510 2.899 1.00 0.00 H new ATOM 150 N GLY A 10 -9.282 -7.374 5.568 1.00 0.00 N ATOM 151 CA GLY A 10 -8.438 -8.429 6.094 1.00 0.00 C ATOM 152 C GLY A 10 -7.826 -9.251 4.966 1.00 0.00 C ATOM 153 O GLY A 10 -7.087 -10.199 5.224 1.00 0.00 O ATOM 0 H GLY A 10 -8.813 -6.472 5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.646 -7.996 6.704 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.024 -9.078 6.745 1.00 0.00 H new ATOM 157 N LYS A 11 -8.161 -8.919 3.718 1.00 0.00 N ATOM 158 CA LYS A 11 -7.633 -9.630 2.569 1.00 0.00 C ATOM 159 C LYS A 11 -6.195 -9.196 2.311 1.00 0.00 C ATOM 160 O LYS A 11 -5.949 -8.054 1.928 1.00 0.00 O ATOM 161 CB LYS A 11 -8.508 -9.351 1.350 1.00 0.00 C ATOM 162 CG LYS A 11 -9.921 -9.871 1.605 1.00 0.00 C ATOM 163 CD LYS A 11 -10.780 -9.665 0.360 1.00 0.00 C ATOM 164 CE LYS A 11 -12.195 -10.171 0.630 1.00 0.00 C ATOM 165 NZ LYS A 11 -13.055 -9.993 -0.551 1.00 0.00 N ATOM 0 H LYS A 11 -8.799 -8.158 3.484 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.640 -10.702 2.766 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.535 -8.281 1.146 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.086 -9.833 0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.888 -10.929 1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.363 -9.349 2.454 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.805 -8.609 0.093 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.347 -10.198 -0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.162 -11.226 0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.621 -9.635 1.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.011 -10.345 -0.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.104 -8.983 -0.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.659 -10.525 -1.352 1.00 0.00 H new ATOM 179 N THR A 12 -5.244 -10.105 2.537 1.00 0.00 N ATOM 180 CA THR A 12 -3.841 -9.822 2.307 1.00 0.00 C ATOM 181 C THR A 12 -3.557 -9.833 0.809 1.00 0.00 C ATOM 182 O THR A 12 -4.092 -10.669 0.083 1.00 0.00 O ATOM 183 CB THR A 12 -2.990 -10.872 3.021 1.00 0.00 C ATOM 184 OG1 THR A 12 -3.445 -11.028 4.347 1.00 0.00 O ATOM 185 CG2 THR A 12 -1.528 -10.433 3.033 1.00 0.00 C ATOM 0 H THR A 12 -5.430 -11.047 2.881 1.00 0.00 H new ATOM 0 HA THR A 12 -3.592 -8.837 2.702 1.00 0.00 H new ATOM 0 HB THR A 12 -3.076 -11.821 2.493 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.900 -11.703 4.803 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.926 -11.185 3.543 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.174 -10.319 2.008 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.438 -9.481 3.556 1.00 0.00 H new ATOM 193 N ILE A 13 -2.714 -8.905 0.348 1.00 0.00 N ATOM 194 CA ILE A 13 -2.364 -8.804 -1.056 1.00 0.00 C ATOM 195 C ILE A 13 -0.849 -8.786 -1.214 1.00 0.00 C ATOM 196 O ILE A 13 -0.197 -7.819 -0.825 1.00 0.00 O ATOM 197 CB ILE A 13 -2.976 -7.536 -1.658 1.00 0.00 C ATOM 198 CG1 ILE A 13 -4.470 -7.456 -1.337 1.00 0.00 C ATOM 199 CG2 ILE A 13 -2.764 -7.553 -3.173 1.00 0.00 C ATOM 200 CD1 ILE A 13 -5.055 -6.158 -1.892 1.00 0.00 C ATOM 0 H ILE A 13 -2.261 -8.209 0.941 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.761 -9.670 -1.586 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.489 -6.661 -1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.989 -8.312 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.622 -7.501 -0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.197 -6.654 -3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.696 -7.585 -3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.248 -8.432 -3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.119 -6.109 -1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.545 -5.307 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.919 -6.131 -2.973 1.00 0.00 H new ATOM 212 N THR A 14 -0.288 -9.854 -1.785 1.00 0.00 N ATOM 213 CA THR A 14 1.129 -9.895 -2.088 1.00 0.00 C ATOM 214 C THR A 14 1.405 -8.907 -3.213 1.00 0.00 C ATOM 215 O THR A 14 0.819 -9.019 -4.289 1.00 0.00 O ATOM 216 CB THR A 14 1.525 -11.314 -2.493 1.00 0.00 C ATOM 217 OG1 THR A 14 1.105 -12.222 -1.497 1.00 0.00 O ATOM 218 CG2 THR A 14 3.041 -11.406 -2.656 1.00 0.00 C ATOM 0 H THR A 14 -0.800 -10.698 -2.044 1.00 0.00 H new ATOM 0 HA THR A 14 1.719 -9.619 -1.214 1.00 0.00 H new ATOM 0 HB THR A 14 1.047 -11.561 -3.441 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.684 -12.137 -0.711 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.315 -12.421 -2.945 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.367 -10.709 -3.428 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.524 -11.154 -1.712 1.00 0.00 H new ATOM 226 N LEU A 15 2.233 -7.896 -2.945 1.00 0.00 N ATOM 227 CA LEU A 15 2.473 -6.836 -3.905 1.00 0.00 C ATOM 228 C LEU A 15 3.952 -6.753 -4.252 1.00 0.00 C ATOM 229 O LEU A 15 4.805 -7.143 -3.457 1.00 0.00 O ATOM 230 CB LEU A 15 1.977 -5.515 -3.315 1.00 0.00 C ATOM 231 CG LEU A 15 1.637 -4.507 -4.412 1.00 0.00 C ATOM 232 CD1 LEU A 15 0.397 -4.964 -5.177 1.00 0.00 C ATOM 233 CD2 LEU A 15 1.355 -3.153 -3.765 1.00 0.00 C ATOM 0 H LEU A 15 2.745 -7.796 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 15 1.931 -7.047 -4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.095 -5.698 -2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.741 -5.098 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 15 2.475 -4.429 -5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.163 -4.239 -5.957 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.587 -5.936 -5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.446 -5.043 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.111 -2.424 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.515 -3.247 -3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.237 -2.820 -3.218 1.00 0.00 H new ATOM 245 N GLU A 16 4.251 -6.200 -5.428 1.00 0.00 N ATOM 246 CA GLU A 16 5.611 -6.004 -5.883 1.00 0.00 C ATOM 247 C GLU A 16 5.714 -4.619 -6.510 1.00 0.00 C ATOM 248 O GLU A 16 5.013 -4.327 -7.478 1.00 0.00 O ATOM 249 CB GLU A 16 5.969 -7.110 -6.875 1.00 0.00 C ATOM 250 CG GLU A 16 7.472 -7.115 -7.144 1.00 0.00 C ATOM 251 CD GLU A 16 7.870 -8.312 -8.002 1.00 0.00 C ATOM 252 OE1 GLU A 16 7.124 -9.315 -7.961 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.974 -8.248 -8.587 1.00 0.00 O ATOM 0 H GLU A 16 3.545 -5.876 -6.090 1.00 0.00 H new ATOM 0 HA GLU A 16 6.318 -6.059 -5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.661 -8.077 -6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.426 -6.960 -7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.758 -6.191 -7.647 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.014 -7.144 -6.199 1.00 0.00 H new ATOM 260 N VAL A 17 6.529 -3.741 -5.919 1.00 0.00 N ATOM 261 CA VAL A 17 6.601 -2.359 -6.363 1.00 0.00 C ATOM 262 C VAL A 17 8.040 -1.957 -6.667 1.00 0.00 C ATOM 263 O VAL A 17 8.981 -2.608 -6.214 1.00 0.00 O ATOM 264 CB VAL A 17 6.011 -1.452 -5.279 1.00 0.00 C ATOM 265 CG1 VAL A 17 4.545 -1.808 -5.041 1.00 0.00 C ATOM 266 CG2 VAL A 17 6.788 -1.623 -3.974 1.00 0.00 C ATOM 0 H VAL A 17 7.143 -3.967 -5.136 1.00 0.00 H new ATOM 0 HA VAL A 17 6.026 -2.252 -7.283 1.00 0.00 H new ATOM 0 HB VAL A 17 6.084 -0.417 -5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.134 -1.158 -4.269 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.983 -1.674 -5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.470 -2.847 -4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.362 -0.974 -3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.725 -2.661 -3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.833 -1.356 -4.135 1.00 0.00 H new ATOM 276 N GLU A 18 8.203 -0.840 -7.381 1.00 0.00 N ATOM 277 CA GLU A 18 9.510 -0.292 -7.687 1.00 0.00 C ATOM 278 C GLU A 18 10.055 0.410 -6.442 1.00 0.00 C ATOM 279 O GLU A 18 9.329 1.157 -5.790 1.00 0.00 O ATOM 280 CB GLU A 18 9.382 0.690 -8.851 1.00 0.00 C ATOM 281 CG GLU A 18 9.262 -0.060 -10.180 1.00 0.00 C ATOM 282 CD GLU A 18 8.013 -0.933 -10.232 1.00 0.00 C ATOM 283 OE1 GLU A 18 8.161 -2.108 -10.635 1.00 0.00 O ATOM 284 OE2 GLU A 18 6.920 -0.389 -9.966 1.00 0.00 O ATOM 0 H GLU A 18 7.427 -0.296 -7.759 1.00 0.00 H new ATOM 0 HA GLU A 18 10.200 -1.085 -7.976 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.507 1.323 -8.705 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.251 1.348 -8.876 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.237 0.657 -11.000 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.145 -0.682 -10.327 1.00 0.00 H new ATOM 291 N PRO A 19 11.339 0.200 -6.128 1.00 0.00 N ATOM 292 CA PRO A 19 11.960 0.682 -4.907 1.00 0.00 C ATOM 293 C PRO A 19 11.960 2.206 -4.767 1.00 0.00 C ATOM 294 O PRO A 19 12.032 2.709 -3.649 1.00 0.00 O ATOM 295 CB PRO A 19 13.399 0.166 -4.941 1.00 0.00 C ATOM 296 CG PRO A 19 13.379 -1.000 -5.927 1.00 0.00 C ATOM 297 CD PRO A 19 12.215 -0.689 -6.862 1.00 0.00 C ATOM 0 HA PRO A 19 11.390 0.320 -4.051 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.090 0.945 -5.265 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.725 -0.159 -3.953 1.00 0.00 H new ATOM 0 HG2 PRO A 19 14.319 -1.073 -6.474 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.233 -1.951 -5.414 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.567 -0.219 -7.780 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.692 -1.601 -7.151 1.00 0.00 H new ATOM 305 N SER A 20 11.906 2.947 -5.879 1.00 0.00 N ATOM 306 CA SER A 20 12.111 4.388 -5.818 1.00 0.00 C ATOM 307 C SER A 20 10.976 5.157 -6.485 1.00 0.00 C ATOM 308 O SER A 20 11.106 6.354 -6.734 1.00 0.00 O ATOM 309 CB SER A 20 13.448 4.733 -6.472 1.00 0.00 C ATOM 310 OG SER A 20 14.472 3.942 -5.910 1.00 0.00 O ATOM 0 H SER A 20 11.725 2.577 -6.812 1.00 0.00 H new ATOM 0 HA SER A 20 12.123 4.687 -4.770 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.392 4.562 -7.547 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.672 5.790 -6.328 1.00 0.00 H new ATOM 0 HG SER A 20 15.327 4.165 -6.333 1.00 0.00 H new ATOM 316 N ASP A 21 9.885 4.470 -6.824 1.00 0.00 N ATOM 317 CA ASP A 21 8.758 5.105 -7.488 1.00 0.00 C ATOM 318 C ASP A 21 7.802 5.736 -6.483 1.00 0.00 C ATOM 319 O ASP A 21 6.734 6.209 -6.864 1.00 0.00 O ATOM 320 CB ASP A 21 8.036 4.085 -8.363 1.00 0.00 C ATOM 321 CG ASP A 21 7.794 4.617 -9.772 1.00 0.00 C ATOM 322 OD1 ASP A 21 6.852 4.103 -10.414 1.00 0.00 O ATOM 323 OD2 ASP A 21 8.516 5.559 -10.167 1.00 0.00 O ATOM 0 H ASP A 21 9.762 3.473 -6.647 1.00 0.00 H new ATOM 0 HA ASP A 21 9.137 5.909 -8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.626 3.170 -8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.082 3.823 -7.905 1.00 0.00 H new ATOM 328 N THR A 22 8.188 5.739 -5.203 1.00 0.00 N ATOM 329 CA THR A 22 7.436 6.389 -4.140 1.00 0.00 C ATOM 330 C THR A 22 6.264 5.520 -3.688 1.00 0.00 C ATOM 331 O THR A 22 5.835 4.620 -4.406 1.00 0.00 O ATOM 332 CB THR A 22 6.956 7.762 -4.623 1.00 0.00 C ATOM 333 OG1 THR A 22 8.047 8.472 -5.166 1.00 0.00 O ATOM 334 CG2 THR A 22 6.370 8.567 -3.470 1.00 0.00 C ATOM 0 H THR A 22 9.041 5.284 -4.879 1.00 0.00 H new ATOM 0 HA THR A 22 8.086 6.527 -3.276 1.00 0.00 H new ATOM 0 HB THR A 22 6.184 7.613 -5.378 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.743 9.350 -5.478 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.036 9.538 -3.837 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.523 8.029 -3.044 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.131 8.711 -2.703 1.00 0.00 H new ATOM 342 N ILE A 23 5.746 5.806 -2.489 1.00 0.00 N ATOM 343 CA ILE A 23 4.609 5.101 -1.921 1.00 0.00 C ATOM 344 C ILE A 23 3.432 5.123 -2.892 1.00 0.00 C ATOM 345 O ILE A 23 2.593 4.224 -2.870 1.00 0.00 O ATOM 346 CB ILE A 23 4.227 5.767 -0.593 1.00 0.00 C ATOM 347 CG1 ILE A 23 5.325 5.541 0.451 1.00 0.00 C ATOM 348 CG2 ILE A 23 2.902 5.206 -0.077 1.00 0.00 C ATOM 349 CD1 ILE A 23 5.392 4.074 0.877 1.00 0.00 C ATOM 0 H ILE A 23 6.113 6.542 -1.885 1.00 0.00 H new ATOM 0 HA ILE A 23 4.875 4.059 -1.741 1.00 0.00 H new ATOM 0 HB ILE A 23 4.115 6.837 -0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.288 5.848 0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.135 6.167 1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.645 5.689 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.117 5.397 -0.808 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.998 4.132 0.080 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.181 3.946 1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.436 3.777 1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.607 3.452 0.008 1.00 0.00 H new ATOM 361 N GLU A 24 3.352 6.158 -3.729 1.00 0.00 N ATOM 362 CA GLU A 24 2.256 6.301 -4.666 1.00 0.00 C ATOM 363 C GLU A 24 2.153 5.071 -5.563 1.00 0.00 C ATOM 364 O GLU A 24 1.058 4.700 -5.982 1.00 0.00 O ATOM 365 CB GLU A 24 2.465 7.573 -5.484 1.00 0.00 C ATOM 366 CG GLU A 24 1.250 7.816 -6.375 1.00 0.00 C ATOM 367 CD GLU A 24 1.302 9.200 -7.005 1.00 0.00 C ATOM 368 OE1 GLU A 24 0.254 9.883 -6.965 1.00 0.00 O ATOM 369 OE2 GLU A 24 2.424 9.605 -7.378 1.00 0.00 O ATOM 0 H GLU A 24 4.041 6.909 -3.771 1.00 0.00 H new ATOM 0 HA GLU A 24 1.315 6.383 -4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.617 8.424 -4.819 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.363 7.481 -6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.211 7.058 -7.157 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.338 7.714 -5.787 1.00 0.00 H new ATOM 376 N ASN A 25 3.286 4.412 -5.819 1.00 0.00 N ATOM 377 CA ASN A 25 3.317 3.224 -6.653 1.00 0.00 C ATOM 378 C ASN A 25 2.633 2.058 -5.950 1.00 0.00 C ATOM 379 O ASN A 25 2.012 1.222 -6.602 1.00 0.00 O ATOM 380 CB ASN A 25 4.771 2.881 -6.965 1.00 0.00 C ATOM 381 CG ASN A 25 4.878 1.720 -7.947 1.00 0.00 C ATOM 382 OD1 ASN A 25 4.574 0.583 -7.597 1.00 0.00 O ATOM 383 ND2 ASN A 25 5.411 1.987 -9.140 1.00 0.00 N ATOM 0 H ASN A 25 4.197 4.690 -5.454 1.00 0.00 H new ATOM 0 HA ASN A 25 2.778 3.416 -7.581 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.270 3.756 -7.381 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.291 2.626 -6.042 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.581 1.231 -9.803 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.648 2.947 -9.389 1.00 0.00 H new ATOM 390 N VAL A 26 2.689 2.032 -4.617 1.00 0.00 N ATOM 391 CA VAL A 26 2.080 0.954 -3.861 1.00 0.00 C ATOM 392 C VAL A 26 0.569 1.004 -4.043 1.00 0.00 C ATOM 393 O VAL A 26 -0.093 -0.032 -4.038 1.00 0.00 O ATOM 394 CB VAL A 26 2.453 1.094 -2.384 1.00 0.00 C ATOM 395 CG1 VAL A 26 1.859 -0.064 -1.584 1.00 0.00 C ATOM 396 CG2 VAL A 26 3.973 1.087 -2.224 1.00 0.00 C ATOM 0 H VAL A 26 3.148 2.743 -4.049 1.00 0.00 H new ATOM 0 HA VAL A 26 2.444 -0.008 -4.221 1.00 0.00 H new ATOM 0 HB VAL A 26 2.053 2.037 -2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.129 0.043 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.773 -0.055 -1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.250 -1.008 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.228 1.187 -1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.375 0.149 -2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.401 1.920 -2.782 1.00 0.00 H new ATOM 406 N LYS A 27 0.029 2.205 -4.263 1.00 0.00 N ATOM 407 CA LYS A 27 -1.393 2.375 -4.489 1.00 0.00 C ATOM 408 C LYS A 27 -1.731 2.060 -5.942 1.00 0.00 C ATOM 409 O LYS A 27 -2.850 1.651 -6.243 1.00 0.00 O ATOM 410 CB LYS A 27 -1.791 3.815 -4.162 1.00 0.00 C ATOM 411 CG LYS A 27 -1.459 4.139 -2.705 1.00 0.00 C ATOM 412 CD LYS A 27 -1.946 5.546 -2.356 1.00 0.00 C ATOM 413 CE LYS A 27 -1.234 6.573 -3.235 1.00 0.00 C ATOM 414 NZ LYS A 27 -1.626 7.947 -2.880 1.00 0.00 N ATOM 0 H LYS A 27 0.565 3.073 -4.288 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.945 1.692 -3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.266 4.504 -4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.858 3.954 -4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.929 3.409 -2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.383 4.068 -2.544 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.024 5.614 -2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.752 5.757 -1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.155 6.461 -3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.471 6.384 -4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.126 8.621 -3.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.652 8.059 -3.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.377 8.133 -1.887 1.00 0.00 H new ATOM 428 N ALA A 28 -0.766 2.263 -6.844 1.00 0.00 N ATOM 429 CA ALA A 28 -0.996 2.088 -8.266 1.00 0.00 C ATOM 430 C ALA A 28 -1.058 0.613 -8.642 1.00 0.00 C ATOM 431 O ALA A 28 -1.842 0.231 -9.507 1.00 0.00 O ATOM 432 CB ALA A 28 0.124 2.779 -9.040 1.00 0.00 C ATOM 0 H ALA A 28 0.183 2.550 -6.605 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.957 2.534 -8.521 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.041 2.652 -10.110 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.132 3.842 -8.797 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.082 2.337 -8.766 1.00 0.00 H new ATOM 438 N LYS A 29 -0.248 -0.225 -7.991 1.00 0.00 N ATOM 439 CA LYS A 29 -0.221 -1.640 -8.316 1.00 0.00 C ATOM 440 C LYS A 29 -1.475 -2.322 -7.785 1.00 0.00 C ATOM 441 O LYS A 29 -1.853 -3.386 -8.269 1.00 0.00 O ATOM 442 CB LYS A 29 1.028 -2.282 -7.715 1.00 0.00 C ATOM 443 CG LYS A 29 2.297 -1.632 -8.270 1.00 0.00 C ATOM 444 CD LYS A 29 2.476 -1.951 -9.753 1.00 0.00 C ATOM 445 CE LYS A 29 3.761 -1.288 -10.247 1.00 0.00 C ATOM 446 NZ LYS A 29 4.828 -2.280 -10.461 1.00 0.00 N ATOM 0 H LYS A 29 0.389 0.054 -7.245 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.194 -1.759 -9.399 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.007 -2.181 -6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.035 -3.349 -7.936 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.247 -0.552 -8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.164 -1.985 -7.712 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.525 -3.029 -9.904 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.621 -1.588 -10.323 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.564 -0.757 -11.178 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.092 -0.546 -9.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.753 -1.840 -10.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.691 -3.082 -9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.795 -2.619 -11.444 1.00 0.00 H new ATOM 460 N ILE A 30 -2.147 -1.691 -6.818 1.00 0.00 N ATOM 461 CA ILE A 30 -3.367 -2.240 -6.259 1.00 0.00 C ATOM 462 C ILE A 30 -4.562 -1.762 -7.075 1.00 0.00 C ATOM 463 O ILE A 30 -5.612 -2.400 -7.067 1.00 0.00 O ATOM 464 CB ILE A 30 -3.493 -1.811 -4.795 1.00 0.00 C ATOM 465 CG1 ILE A 30 -2.357 -2.440 -3.987 1.00 0.00 C ATOM 466 CG2 ILE A 30 -4.830 -2.277 -4.219 1.00 0.00 C ATOM 467 CD1 ILE A 30 -2.341 -1.873 -2.568 1.00 0.00 C ATOM 0 H ILE A 30 -1.860 -0.800 -6.412 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.339 -3.329 -6.299 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.439 -0.724 -4.739 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.482 -3.522 -3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.402 -2.245 -4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.906 -1.965 -3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.646 -1.835 -4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.893 -3.364 -4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.528 -2.329 -2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.194 -0.794 -2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.290 -2.091 -2.078 1.00 0.00 H new ATOM 479 N GLN A 31 -4.390 -0.671 -7.827 1.00 0.00 N ATOM 480 CA GLN A 31 -5.442 -0.173 -8.691 1.00 0.00 C ATOM 481 C GLN A 31 -5.756 -1.221 -9.752 1.00 0.00 C ATOM 482 O GLN A 31 -6.901 -1.358 -10.176 1.00 0.00 O ATOM 483 CB GLN A 31 -4.980 1.131 -9.345 1.00 0.00 C ATOM 484 CG GLN A 31 -6.076 1.690 -10.251 1.00 0.00 C ATOM 485 CD GLN A 31 -5.584 2.920 -11.004 1.00 0.00 C ATOM 486 OE1 GLN A 31 -6.148 4.004 -10.869 1.00 0.00 O ATOM 487 NE2 GLN A 31 -4.521 2.754 -11.794 1.00 0.00 N ATOM 0 H GLN A 31 -3.530 -0.123 -7.849 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.344 0.024 -8.112 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.727 1.861 -8.576 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.075 0.953 -9.926 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.391 0.926 -10.961 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.950 1.950 -9.654 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.085 1.836 -11.876 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.145 3.546 -12.316 1.00 0.00 H new ATOM 496 N ASP A 32 -4.733 -1.973 -10.166 1.00 0.00 N ATOM 497 CA ASP A 32 -4.874 -2.996 -11.184 1.00 0.00 C ATOM 498 C ASP A 32 -5.477 -4.267 -10.594 1.00 0.00 C ATOM 499 O ASP A 32 -6.091 -5.052 -11.314 1.00 0.00 O ATOM 500 CB ASP A 32 -3.497 -3.296 -11.772 1.00 0.00 C ATOM 501 CG ASP A 32 -3.586 -4.328 -12.889 1.00 0.00 C ATOM 502 OD1 ASP A 32 -3.332 -5.515 -12.587 1.00 0.00 O ATOM 503 OD2 ASP A 32 -3.787 -3.895 -14.044 1.00 0.00 O ATOM 0 H ASP A 32 -3.786 -1.883 -9.799 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.544 -2.636 -11.965 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.055 -2.377 -12.157 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.836 -3.663 -10.987 1.00 0.00 H new ATOM 508 N LYS A 33 -5.280 -4.486 -9.291 1.00 0.00 N ATOM 509 CA LYS A 33 -5.687 -5.729 -8.660 1.00 0.00 C ATOM 510 C LYS A 33 -7.043 -5.586 -7.980 1.00 0.00 C ATOM 511 O LYS A 33 -7.949 -6.376 -8.236 1.00 0.00 O ATOM 512 CB LYS A 33 -4.619 -6.139 -7.646 1.00 0.00 C ATOM 513 CG LYS A 33 -4.868 -7.560 -7.141 1.00 0.00 C ATOM 514 CD LYS A 33 -4.639 -8.566 -8.268 1.00 0.00 C ATOM 515 CE LYS A 33 -4.759 -9.983 -7.715 1.00 0.00 C ATOM 516 NZ LYS A 33 -4.523 -10.983 -8.768 1.00 0.00 N ATOM 0 H LYS A 33 -4.841 -3.816 -8.660 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.788 -6.500 -9.424 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.632 -6.079 -8.106 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.622 -5.444 -6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.202 -7.779 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.888 -7.648 -6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.369 -8.411 -9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.653 -8.418 -8.708 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.041 -10.124 -6.908 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.751 -10.127 -7.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.610 -11.938 -8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.224 -10.861 -9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.567 -10.858 -9.158 1.00 0.00 H new ATOM 530 N GLU A 34 -7.176 -4.599 -7.089 1.00 0.00 N ATOM 531 CA GLU A 34 -8.403 -4.414 -6.335 1.00 0.00 C ATOM 532 C GLU A 34 -9.375 -3.543 -7.121 1.00 0.00 C ATOM 533 O GLU A 34 -10.572 -3.535 -6.840 1.00 0.00 O ATOM 534 CB GLU A 34 -8.069 -3.773 -4.987 1.00 0.00 C ATOM 535 CG GLU A 34 -9.256 -3.886 -4.030 1.00 0.00 C ATOM 536 CD GLU A 34 -9.655 -5.341 -3.819 1.00 0.00 C ATOM 537 OE1 GLU A 34 -10.811 -5.671 -4.160 1.00 0.00 O ATOM 538 OE2 GLU A 34 -8.793 -6.103 -3.330 1.00 0.00 O ATOM 0 H GLU A 34 -6.445 -3.920 -6.878 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.879 -5.379 -6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.196 -4.261 -4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.809 -2.724 -5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.999 -3.434 -3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.103 -3.328 -4.429 1.00 0.00 H new ATOM 545 N GLY A 35 -8.866 -2.840 -8.136 1.00 0.00 N ATOM 546 CA GLY A 35 -9.697 -2.047 -9.022 1.00 0.00 C ATOM 547 C GLY A 35 -10.066 -0.706 -8.395 1.00 0.00 C ATOM 548 O GLY A 35 -10.671 0.132 -9.059 1.00 0.00 O ATOM 0 H GLY A 35 -7.871 -2.809 -8.359 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.170 -1.878 -9.961 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.605 -2.600 -9.261 1.00 0.00 H new ATOM 552 N ILE A 36 -9.734 -0.507 -7.115 1.00 0.00 N ATOM 553 CA ILE A 36 -10.057 0.730 -6.423 1.00 0.00 C ATOM 554 C ILE A 36 -9.042 1.809 -6.793 1.00 0.00 C ATOM 555 O ILE A 36 -7.861 1.675 -6.476 1.00 0.00 O ATOM 556 CB ILE A 36 -10.052 0.488 -4.912 1.00 0.00 C ATOM 557 CG1 ILE A 36 -11.046 -0.624 -4.570 1.00 0.00 C ATOM 558 CG2 ILE A 36 -10.441 1.778 -4.189 1.00 0.00 C ATOM 559 CD1 ILE A 36 -10.970 -0.965 -3.083 1.00 0.00 C ATOM 0 H ILE A 36 -9.241 -1.192 -6.543 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.049 1.067 -6.723 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.055 0.186 -4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -12.057 -0.308 -4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.828 -1.511 -5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.438 1.607 -3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.725 2.562 -4.434 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.438 2.085 -4.505 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.683 -1.757 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.963 -1.301 -2.838 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.211 -0.080 -2.494 1.00 0.00 H new ATOM 571 N PRO A 37 -9.502 2.898 -7.422 1.00 0.00 N ATOM 572 CA PRO A 37 -8.659 4.010 -7.813 1.00 0.00 C ATOM 573 C PRO A 37 -7.976 4.633 -6.598 1.00 0.00 C ATOM 574 O PRO A 37 -8.413 4.429 -5.467 1.00 0.00 O ATOM 575 CB PRO A 37 -9.589 5.023 -8.485 1.00 0.00 C ATOM 576 CG PRO A 37 -10.840 4.226 -8.855 1.00 0.00 C ATOM 577 CD PRO A 37 -10.873 3.087 -7.841 1.00 0.00 C ATOM 0 HA PRO A 37 -7.864 3.686 -8.484 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.830 5.845 -7.811 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.124 5.460 -9.368 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.737 4.842 -8.792 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.784 3.848 -9.876 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.511 3.336 -6.993 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.275 2.177 -8.287 1.00 0.00 H new ATOM 585 N PRO A 38 -6.971 5.483 -6.838 1.00 0.00 N ATOM 586 CA PRO A 38 -6.256 6.199 -5.803 1.00 0.00 C ATOM 587 C PRO A 38 -7.200 7.081 -4.991 1.00 0.00 C ATOM 588 O PRO A 38 -8.344 7.301 -5.386 1.00 0.00 O ATOM 589 CB PRO A 38 -5.211 7.049 -6.528 1.00 0.00 C ATOM 590 CG PRO A 38 -5.055 6.388 -7.898 1.00 0.00 C ATOM 591 CD PRO A 38 -6.403 5.716 -8.146 1.00 0.00 C ATOM 0 HA PRO A 38 -5.793 5.511 -5.096 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.539 8.084 -6.623 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.266 7.063 -5.985 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.828 7.122 -8.671 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.242 5.662 -7.900 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.053 6.352 -8.747 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.279 4.780 -8.691 1.00 0.00 H new ATOM 599 N ASP A 39 -6.694 7.611 -3.873 1.00 0.00 N ATOM 600 CA ASP A 39 -7.413 8.520 -2.991 1.00 0.00 C ATOM 601 C ASP A 39 -8.495 7.795 -2.200 1.00 0.00 C ATOM 602 O ASP A 39 -8.652 8.040 -1.006 1.00 0.00 O ATOM 603 CB ASP A 39 -8.006 9.682 -3.785 1.00 0.00 C ATOM 604 CG ASP A 39 -8.492 10.772 -2.839 1.00 0.00 C ATOM 605 OD1 ASP A 39 -9.728 10.875 -2.681 1.00 0.00 O ATOM 606 OD2 ASP A 39 -7.621 11.366 -2.167 1.00 0.00 O ATOM 0 H ASP A 39 -5.747 7.411 -3.553 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.697 8.921 -2.273 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.256 10.088 -4.464 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.834 9.327 -4.399 1.00 0.00 H new ATOM 611 N GLN A 40 -9.219 6.875 -2.844 1.00 0.00 N ATOM 612 CA GLN A 40 -10.230 6.099 -2.151 1.00 0.00 C ATOM 613 C GLN A 40 -9.543 5.178 -1.153 1.00 0.00 C ATOM 614 O GLN A 40 -10.172 4.696 -0.213 1.00 0.00 O ATOM 615 CB GLN A 40 -11.051 5.294 -3.157 1.00 0.00 C ATOM 616 CG GLN A 40 -11.925 6.239 -3.980 1.00 0.00 C ATOM 617 CD GLN A 40 -12.759 5.466 -4.993 1.00 0.00 C ATOM 618 OE1 GLN A 40 -13.625 4.680 -4.616 1.00 0.00 O ATOM 619 NE2 GLN A 40 -12.521 5.714 -6.281 1.00 0.00 N ATOM 0 H GLN A 40 -9.119 6.657 -3.835 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.909 6.763 -1.617 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.388 4.731 -3.814 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.674 4.568 -2.635 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.582 6.803 -3.317 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.296 6.963 -4.498 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.791 6.375 -6.547 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.069 5.243 -7.001 1.00 0.00 H new ATOM 628 N GLN A 41 -8.239 4.962 -1.345 1.00 0.00 N ATOM 629 CA GLN A 41 -7.438 4.162 -0.442 1.00 0.00 C ATOM 630 C GLN A 41 -6.342 5.023 0.175 1.00 0.00 C ATOM 631 O GLN A 41 -5.967 6.049 -0.390 1.00 0.00 O ATOM 632 CB GLN A 41 -6.855 2.974 -1.209 1.00 0.00 C ATOM 633 CG GLN A 41 -5.857 3.467 -2.256 1.00 0.00 C ATOM 634 CD GLN A 41 -5.346 2.313 -3.109 1.00 0.00 C ATOM 635 OE1 GLN A 41 -4.562 1.491 -2.640 1.00 0.00 O ATOM 636 NE2 GLN A 41 -5.780 2.260 -4.369 1.00 0.00 N ATOM 0 H GLN A 41 -7.717 5.342 -2.135 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.055 3.778 0.370 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.362 2.291 -0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.656 2.415 -1.693 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.332 4.213 -2.894 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.019 3.958 -1.762 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.431 2.965 -4.714 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.461 1.514 -4.987 1.00 0.00 H new ATOM 645 N ARG A 42 -5.791 4.577 1.307 1.00 0.00 N ATOM 646 CA ARG A 42 -4.698 5.269 1.967 1.00 0.00 C ATOM 647 C ARG A 42 -3.853 4.259 2.733 1.00 0.00 C ATOM 648 O ARG A 42 -4.385 3.304 3.297 1.00 0.00 O ATOM 649 CB ARG A 42 -5.260 6.349 2.893 1.00 0.00 C ATOM 650 CG ARG A 42 -4.828 7.723 2.379 1.00 0.00 C ATOM 651 CD ARG A 42 -5.621 8.826 3.078 1.00 0.00 C ATOM 652 NE ARG A 42 -6.975 8.927 2.527 1.00 0.00 N ATOM 653 CZ ARG A 42 -7.977 9.576 3.134 1.00 0.00 C ATOM 654 NH1 ARG A 42 -7.791 10.117 4.345 1.00 0.00 N ATOM 655 NH2 ARG A 42 -9.164 9.694 2.526 1.00 0.00 N ATOM 0 H ARG A 42 -6.094 3.728 1.785 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.061 5.758 1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.348 6.286 2.928 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.899 6.197 3.910 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.762 7.865 2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.984 7.781 1.302 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.674 8.620 4.147 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.105 9.779 2.962 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.165 8.478 1.631 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.885 10.035 4.806 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.555 10.611 4.806 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.305 9.290 1.600 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.927 10.188 2.988 1.00 0.00 H new ATOM 669 N LEU A 43 -2.532 4.453 2.720 1.00 0.00 N ATOM 670 CA LEU A 43 -1.597 3.493 3.279 1.00 0.00 C ATOM 671 C LEU A 43 -1.143 3.913 4.671 1.00 0.00 C ATOM 672 O LEU A 43 -1.172 5.093 5.017 1.00 0.00 O ATOM 673 CB LEU A 43 -0.386 3.387 2.351 1.00 0.00 C ATOM 674 CG LEU A 43 -0.682 2.443 1.186 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.436 2.556 0.154 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.746 0.999 1.685 1.00 0.00 C ATOM 0 H LEU A 43 -2.088 5.280 2.321 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.094 2.527 3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.126 4.374 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.477 3.024 2.910 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.638 2.716 0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.231 1.885 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.492 3.582 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.385 2.283 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.957 0.334 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.209 0.726 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.536 0.906 2.430 1.00 0.00 H new ATOM 688 N ALA A 44 -0.680 2.931 5.448 1.00 0.00 N ATOM 689 CA ALA A 44 -0.126 3.141 6.770 1.00 0.00 C ATOM 690 C ALA A 44 0.744 1.942 7.135 1.00 0.00 C ATOM 691 O ALA A 44 0.713 0.921 6.450 1.00 0.00 O ATOM 692 CB ALA A 44 -1.261 3.300 7.777 1.00 0.00 C ATOM 0 H ALA A 44 -0.684 1.952 5.162 1.00 0.00 H new ATOM 0 HA ALA A 44 0.482 4.045 6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.845 3.458 8.772 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.876 4.157 7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.874 2.399 7.779 1.00 0.00 H new ATOM 698 N PHE A 45 1.506 2.055 8.226 1.00 0.00 N ATOM 699 CA PHE A 45 2.330 0.960 8.704 1.00 0.00 C ATOM 700 C PHE A 45 2.367 0.966 10.225 1.00 0.00 C ATOM 701 O PHE A 45 2.945 1.869 10.825 1.00 0.00 O ATOM 702 CB PHE A 45 3.738 1.077 8.124 1.00 0.00 C ATOM 703 CG PHE A 45 4.560 -0.175 8.326 1.00 0.00 C ATOM 704 CD1 PHE A 45 5.000 -0.525 9.609 1.00 0.00 C ATOM 705 CD2 PHE A 45 4.832 -1.017 7.240 1.00 0.00 C ATOM 706 CE1 PHE A 45 5.708 -1.716 9.807 1.00 0.00 C ATOM 707 CE2 PHE A 45 5.537 -2.211 7.439 1.00 0.00 C ATOM 708 CZ PHE A 45 5.970 -2.564 8.724 1.00 0.00 C ATOM 0 H PHE A 45 1.564 2.901 8.792 1.00 0.00 H new ATOM 0 HA PHE A 45 1.901 0.014 8.375 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.670 1.294 7.058 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.249 1.920 8.589 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.793 0.125 10.446 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.498 -0.746 6.249 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.052 -1.981 10.796 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.747 -2.860 6.602 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.505 -3.489 8.879 1.00 0.00 H new ATOM 718 N ALA A 46 1.785 -0.062 10.848 1.00 0.00 N ATOM 719 CA ALA A 46 1.731 -0.166 12.297 1.00 0.00 C ATOM 720 C ALA A 46 1.123 1.095 12.908 1.00 0.00 C ATOM 721 O ALA A 46 1.307 1.361 14.094 1.00 0.00 O ATOM 722 CB ALA A 46 3.133 -0.428 12.843 1.00 0.00 C ATOM 0 H ALA A 46 1.341 -0.839 10.359 1.00 0.00 H new ATOM 0 HA ALA A 46 1.089 -1.002 12.573 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.092 -0.506 13.929 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.517 -1.359 12.427 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.792 0.394 12.563 1.00 0.00 H new ATOM 728 N GLY A 47 0.400 1.871 12.096 1.00 0.00 N ATOM 729 CA GLY A 47 -0.264 3.076 12.556 1.00 0.00 C ATOM 730 C GLY A 47 0.487 4.322 12.100 1.00 0.00 C ATOM 731 O GLY A 47 -0.040 5.428 12.195 1.00 0.00 O ATOM 0 H GLY A 47 0.264 1.675 11.104 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.284 3.102 12.174 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.332 3.066 13.644 1.00 0.00 H new ATOM 735 N LYS A 48 1.699 4.145 11.567 1.00 0.00 N ATOM 736 CA LYS A 48 2.472 5.257 11.046 1.00 0.00 C ATOM 737 C LYS A 48 1.922 5.651 9.683 1.00 0.00 C ATOM 738 O LYS A 48 1.810 4.810 8.794 1.00 0.00 O ATOM 739 CB LYS A 48 3.945 4.863 10.929 1.00 0.00 C ATOM 740 CG LYS A 48 4.492 4.420 12.285 1.00 0.00 C ATOM 741 CD LYS A 48 5.986 4.130 12.152 1.00 0.00 C ATOM 742 CE LYS A 48 6.559 3.732 13.510 1.00 0.00 C ATOM 743 NZ LYS A 48 8.011 3.501 13.424 1.00 0.00 N ATOM 0 H LYS A 48 2.160 3.238 11.489 1.00 0.00 H new ATOM 0 HA LYS A 48 2.395 6.105 11.726 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.055 4.056 10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.524 5.707 10.555 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.325 5.198 13.030 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.966 3.530 12.630 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.147 3.329 11.430 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.504 5.011 11.772 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.355 4.516 14.239 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.064 2.829 13.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.376 3.232 14.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.201 2.736 12.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.483 4.372 13.106 1.00 0.00 H new ATOM 757 N GLN A 49 1.553 6.923 9.527 1.00 0.00 N ATOM 758 CA GLN A 49 1.029 7.414 8.268 1.00 0.00 C ATOM 759 C GLN A 49 2.133 7.408 7.219 1.00 0.00 C ATOM 760 O GLN A 49 3.281 7.727 7.524 1.00 0.00 O ATOM 761 CB GLN A 49 0.477 8.828 8.464 1.00 0.00 C ATOM 762 CG GLN A 49 1.605 9.793 8.833 1.00 0.00 C ATOM 763 CD GLN A 49 1.062 11.179 9.149 1.00 0.00 C ATOM 764 OE1 GLN A 49 -0.025 11.312 9.707 1.00 0.00 O ATOM 765 NE2 GLN A 49 1.811 12.217 8.776 1.00 0.00 N ATOM 0 H GLN A 49 1.610 7.627 10.263 1.00 0.00 H new ATOM 0 HA GLN A 49 0.221 6.767 7.925 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.014 9.164 7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.279 8.825 9.249 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.149 9.408 9.695 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.316 9.857 8.009 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.707 12.060 8.315 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.488 13.168 8.951 1.00 0.00 H new ATOM 774 N LEU A 50 1.786 7.053 5.979 1.00 0.00 N ATOM 775 CA LEU A 50 2.744 7.078 4.890 1.00 0.00 C ATOM 776 C LEU A 50 2.429 8.255 3.979 1.00 0.00 C ATOM 777 O LEU A 50 1.287 8.707 3.923 1.00 0.00 O ATOM 778 CB LEU A 50 2.690 5.758 4.121 1.00 0.00 C ATOM 779 CG LEU A 50 2.940 4.583 5.068 1.00 0.00 C ATOM 780 CD1 LEU A 50 2.956 3.287 4.259 1.00 0.00 C ATOM 781 CD2 LEU A 50 4.271 4.751 5.798 1.00 0.00 C ATOM 0 H LEU A 50 0.850 6.747 5.713 1.00 0.00 H new ATOM 0 HA LEU A 50 3.754 7.198 5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.717 5.648 3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.437 5.760 3.328 1.00 0.00 H new ATOM 0 HG LEU A 50 2.144 4.550 5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.134 2.444 4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.996 3.158 3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.750 3.333 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.429 3.904 6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.082 4.795 5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.254 5.673 6.379 1.00 0.00 H new ATOM 793 N GLU A 51 3.435 8.745 3.252 1.00 0.00 N ATOM 794 CA GLU A 51 3.254 9.885 2.376 1.00 0.00 C ATOM 795 C GLU A 51 4.142 9.729 1.147 1.00 0.00 C ATOM 796 O GLU A 51 5.130 8.998 1.181 1.00 0.00 O ATOM 797 CB GLU A 51 3.597 11.156 3.156 1.00 0.00 C ATOM 798 CG GLU A 51 3.356 12.406 2.313 1.00 0.00 C ATOM 799 CD GLU A 51 3.559 13.663 3.150 1.00 0.00 C ATOM 800 OE1 GLU A 51 4.733 13.954 3.469 1.00 0.00 O ATOM 801 OE2 GLU A 51 2.538 14.311 3.466 1.00 0.00 O ATOM 0 H GLU A 51 4.381 8.364 3.258 1.00 0.00 H new ATOM 0 HA GLU A 51 2.221 9.950 2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.993 11.204 4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.640 11.122 3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.037 12.415 1.462 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.343 12.390 1.910 1.00 0.00 H new ATOM 808 N ASP A 52 3.762 10.382 0.047 1.00 0.00 N ATOM 809 CA ASP A 52 4.525 10.332 -1.187 1.00 0.00 C ATOM 810 C ASP A 52 5.615 11.398 -1.180 1.00 0.00 C ATOM 811 O ASP A 52 5.567 12.339 -0.390 1.00 0.00 O ATOM 812 CB ASP A 52 3.583 10.518 -2.376 1.00 0.00 C ATOM 813 CG ASP A 52 2.821 11.834 -2.279 1.00 0.00 C ATOM 814 OD1 ASP A 52 1.714 11.801 -1.698 1.00 0.00 O ATOM 815 OD2 ASP A 52 3.279 12.804 -2.921 1.00 0.00 O ATOM 0 H ASP A 52 2.920 10.956 -0.007 1.00 0.00 H new ATOM 0 HA ASP A 52 5.010 9.360 -1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.156 10.494 -3.303 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.877 9.689 -2.416 1.00 0.00 H new ATOM 820 N GLY A 53 6.607 11.241 -2.060 1.00 0.00 N ATOM 821 CA GLY A 53 7.707 12.180 -2.169 1.00 0.00 C ATOM 822 C GLY A 53 8.986 11.576 -1.601 1.00 0.00 C ATOM 823 O GLY A 53 10.018 12.242 -1.561 1.00 0.00 O ATOM 0 H GLY A 53 6.663 10.459 -2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.859 12.451 -3.214 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.463 13.098 -1.634 1.00 0.00 H new ATOM 827 N ARG A 54 8.914 10.324 -1.135 1.00 0.00 N ATOM 828 CA ARG A 54 10.061 9.659 -0.545 1.00 0.00 C ATOM 829 C ARG A 54 10.135 8.213 -1.030 1.00 0.00 C ATOM 830 O ARG A 54 9.109 7.599 -1.319 1.00 0.00 O ATOM 831 CB ARG A 54 9.928 9.728 0.977 1.00 0.00 C ATOM 832 CG ARG A 54 11.139 9.103 1.666 1.00 0.00 C ATOM 833 CD ARG A 54 10.996 9.274 3.177 1.00 0.00 C ATOM 834 NE ARG A 54 12.102 8.632 3.891 1.00 0.00 N ATOM 835 CZ ARG A 54 12.340 8.808 5.198 1.00 0.00 C ATOM 836 NH1 ARG A 54 11.564 9.630 5.918 1.00 0.00 N ATOM 837 NH2 ARG A 54 13.347 8.150 5.786 1.00 0.00 N ATOM 0 H ARG A 54 8.067 9.757 -1.159 1.00 0.00 H new ATOM 0 HA ARG A 54 10.984 10.153 -0.847 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.825 10.767 1.289 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.021 9.210 1.289 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.212 8.045 1.412 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.056 9.578 1.319 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.968 10.335 3.424 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.050 8.845 3.506 1.00 0.00 H new ATOM 0 HE ARG A 54 12.724 8.018 3.365 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.791 10.123 5.471 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.747 9.763 6.913 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.931 7.517 5.239 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.531 8.282 6.781 1.00 0.00 H new ATOM 851 N THR A 55 11.345 7.647 -1.039 1.00 0.00 N ATOM 852 CA THR A 55 11.562 6.260 -1.404 1.00 0.00 C ATOM 853 C THR A 55 10.842 5.368 -0.397 1.00 0.00 C ATOM 854 O THR A 55 11.089 5.466 0.803 1.00 0.00 O ATOM 855 CB THR A 55 13.066 5.987 -1.403 1.00 0.00 C ATOM 856 OG1 THR A 55 13.702 6.840 -2.329 1.00 0.00 O ATOM 857 CG2 THR A 55 13.349 4.533 -1.765 1.00 0.00 C ATOM 0 H THR A 55 12.199 8.146 -0.791 1.00 0.00 H new ATOM 0 HA THR A 55 11.167 6.050 -2.398 1.00 0.00 H new ATOM 0 HB THR A 55 13.455 6.177 -0.403 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.666 6.665 -2.326 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.425 4.359 -1.759 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.871 3.877 -1.037 1.00 0.00 H new ATOM 0 HG23 THR A 55 12.953 4.322 -2.758 1.00 0.00 H new ATOM 865 N LEU A 56 9.927 4.522 -0.878 1.00 0.00 N ATOM 866 CA LEU A 56 9.108 3.708 0.001 1.00 0.00 C ATOM 867 C LEU A 56 9.959 2.718 0.788 1.00 0.00 C ATOM 868 O LEU A 56 9.624 2.392 1.925 1.00 0.00 O ATOM 869 CB LEU A 56 8.035 2.989 -0.822 1.00 0.00 C ATOM 870 CG LEU A 56 8.645 2.025 -1.844 1.00 0.00 C ATOM 871 CD1 LEU A 56 8.757 0.621 -1.251 1.00 0.00 C ATOM 872 CD2 LEU A 56 7.731 1.959 -3.065 1.00 0.00 C ATOM 0 H LEU A 56 9.741 4.389 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 56 8.618 4.356 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.374 2.438 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.421 3.726 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 56 9.637 2.382 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.192 -0.052 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.393 0.649 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.766 0.263 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.155 1.275 -3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.746 1.602 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.638 2.952 -3.504 1.00 0.00 H new ATOM 884 N SER A 57 11.075 2.265 0.210 1.00 0.00 N ATOM 885 CA SER A 57 11.913 1.278 0.869 1.00 0.00 C ATOM 886 C SER A 57 12.687 1.923 2.010 1.00 0.00 C ATOM 887 O SER A 57 13.076 1.245 2.959 1.00 0.00 O ATOM 888 CB SER A 57 12.872 0.661 -0.147 1.00 0.00 C ATOM 889 OG SER A 57 13.672 1.670 -0.722 1.00 0.00 O ATOM 0 H SER A 57 11.411 2.567 -0.705 1.00 0.00 H new ATOM 0 HA SER A 57 11.283 0.491 1.285 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.503 -0.083 0.340 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.310 0.143 -0.924 1.00 0.00 H new ATOM 0 HG SER A 57 14.287 1.270 -1.372 1.00 0.00 H new ATOM 895 N ASP A 58 12.868 3.244 1.948 1.00 0.00 N ATOM 896 CA ASP A 58 13.564 3.961 2.998 1.00 0.00 C ATOM 897 C ASP A 58 12.569 4.477 4.030 1.00 0.00 C ATOM 898 O ASP A 58 12.956 4.853 5.134 1.00 0.00 O ATOM 899 CB ASP A 58 14.336 5.123 2.386 1.00 0.00 C ATOM 900 CG ASP A 58 15.126 5.862 3.456 1.00 0.00 C ATOM 901 OD1 ASP A 58 14.730 7.006 3.769 1.00 0.00 O ATOM 902 OD2 ASP A 58 16.101 5.263 3.959 1.00 0.00 O ATOM 0 H ASP A 58 12.540 3.830 1.180 1.00 0.00 H new ATOM 0 HA ASP A 58 14.260 3.287 3.497 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.013 4.752 1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.644 5.809 1.897 1.00 0.00 H new ATOM 907 N TYR A 59 11.284 4.484 3.669 1.00 0.00 N ATOM 908 CA TYR A 59 10.231 4.972 4.539 1.00 0.00 C ATOM 909 C TYR A 59 9.969 3.988 5.679 1.00 0.00 C ATOM 910 O TYR A 59 10.343 4.253 6.819 1.00 0.00 O ATOM 911 CB TYR A 59 8.973 5.218 3.707 1.00 0.00 C ATOM 912 CG TYR A 59 8.114 6.346 4.228 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.669 7.349 3.355 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.759 6.386 5.583 1.00 0.00 C ATOM 915 CE1 TYR A 59 6.866 8.391 3.835 1.00 0.00 C ATOM 916 CE2 TYR A 59 6.952 7.421 6.069 1.00 0.00 C ATOM 917 CZ TYR A 59 6.501 8.429 5.195 1.00 0.00 C ATOM 918 OH TYR A 59 5.710 9.437 5.662 1.00 0.00 O ATOM 0 H TYR A 59 10.952 4.150 2.764 1.00 0.00 H new ATOM 0 HA TYR A 59 10.539 5.912 4.996 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.264 5.439 2.680 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.380 4.304 3.681 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.946 7.318 2.312 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.109 5.616 6.254 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.527 9.165 3.163 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.676 7.447 7.113 1.00 0.00 H new ATOM 0 HH TYR A 59 5.553 9.312 6.621 1.00 0.00 H new ATOM 928 N ASN A 60 9.301 2.869 5.382 1.00 0.00 N ATOM 929 CA ASN A 60 8.975 1.878 6.396 1.00 0.00 C ATOM 930 C ASN A 60 8.946 0.481 5.788 1.00 0.00 C ATOM 931 O ASN A 60 9.094 -0.504 6.507 1.00 0.00 O ATOM 932 CB ASN A 60 7.610 2.195 7.014 1.00 0.00 C ATOM 933 CG ASN A 60 7.726 3.231 8.124 1.00 0.00 C ATOM 934 OD1 ASN A 60 8.438 3.017 9.103 1.00 0.00 O ATOM 935 ND2 ASN A 60 6.964 4.319 8.008 1.00 0.00 N ATOM 0 H ASN A 60 8.978 2.632 4.444 1.00 0.00 H new ATOM 0 HA ASN A 60 9.742 1.910 7.170 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.936 2.563 6.240 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.169 1.281 7.412 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.956 5.017 8.751 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.389 4.453 7.176 1.00 0.00 H new ATOM 942 N ILE A 61 8.686 0.386 4.481 1.00 0.00 N ATOM 943 CA ILE A 61 8.575 -0.898 3.812 1.00 0.00 C ATOM 944 C ILE A 61 9.831 -1.723 4.061 1.00 0.00 C ATOM 945 O ILE A 61 10.946 -1.211 3.976 1.00 0.00 O ATOM 946 CB ILE A 61 8.347 -0.688 2.311 1.00 0.00 C ATOM 947 CG1 ILE A 61 6.860 -0.460 2.033 1.00 0.00 C ATOM 948 CG2 ILE A 61 8.780 -1.937 1.542 1.00 0.00 C ATOM 949 CD1 ILE A 61 6.435 0.928 2.503 1.00 0.00 C ATOM 0 H ILE A 61 8.549 1.191 3.870 1.00 0.00 H new ATOM 0 HA ILE A 61 7.721 -1.442 4.215 1.00 0.00 H new ATOM 0 HB ILE A 61 8.928 0.178 1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.663 -0.565 0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.268 -1.220 2.543 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.616 -1.783 0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.838 -2.127 1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.195 -2.793 1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.374 1.073 2.297 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.613 1.020 3.575 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.014 1.685 1.973 1.00 0.00 H new ATOM 961 N GLN A 62 9.639 -3.017 4.328 1.00 0.00 N ATOM 962 CA GLN A 62 10.731 -3.952 4.502 1.00 0.00 C ATOM 963 C GLN A 62 10.468 -5.169 3.629 1.00 0.00 C ATOM 964 O GLN A 62 9.373 -5.325 3.091 1.00 0.00 O ATOM 965 CB GLN A 62 10.842 -4.359 5.971 1.00 0.00 C ATOM 966 CG GLN A 62 11.489 -3.241 6.784 1.00 0.00 C ATOM 967 CD GLN A 62 11.649 -3.657 8.239 1.00 0.00 C ATOM 968 OE1 GLN A 62 12.768 -3.832 8.716 1.00 0.00 O ATOM 969 NE2 GLN A 62 10.529 -3.846 8.938 1.00 0.00 N ATOM 0 H GLN A 62 8.715 -3.438 4.428 1.00 0.00 H new ATOM 0 HA GLN A 62 11.673 -3.488 4.208 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.852 -4.581 6.369 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.433 -5.271 6.059 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.463 -2.995 6.362 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.878 -2.340 6.723 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.622 -3.688 8.500 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.580 -4.148 9.911 1.00 0.00 H new ATOM 978 N LYS A 63 11.474 -6.032 3.494 1.00 0.00 N ATOM 979 CA LYS A 63 11.362 -7.227 2.683 1.00 0.00 C ATOM 980 C LYS A 63 10.238 -8.116 3.201 1.00 0.00 C ATOM 981 O LYS A 63 10.234 -8.506 4.367 1.00 0.00 O ATOM 982 CB LYS A 63 12.704 -7.962 2.665 1.00 0.00 C ATOM 983 CG LYS A 63 13.166 -8.302 4.082 1.00 0.00 C ATOM 984 CD LYS A 63 14.587 -8.856 4.026 1.00 0.00 C ATOM 985 CE LYS A 63 15.075 -9.149 5.441 1.00 0.00 C ATOM 986 NZ LYS A 63 16.470 -9.616 5.433 1.00 0.00 N ATOM 0 H LYS A 63 12.382 -5.917 3.944 1.00 0.00 H new ATOM 0 HA LYS A 63 11.112 -6.952 1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.613 -8.877 2.080 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.454 -7.343 2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.134 -7.413 4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.495 -9.034 4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.611 -9.766 3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.250 -8.138 3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.993 -8.250 6.051 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.438 -9.905 5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.777 -9.808 6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.541 -10.487 4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.079 -8.883 5.016 1.00 0.00 H new ATOM 1000 N GLU A 64 9.263 -8.397 2.332 1.00 0.00 N ATOM 1001 CA GLU A 64 8.155 -9.286 2.633 1.00 0.00 C ATOM 1002 C GLU A 64 7.530 -8.949 3.983 1.00 0.00 C ATOM 1003 O GLU A 64 7.207 -9.846 4.760 1.00 0.00 O ATOM 1004 CB GLU A 64 8.645 -10.732 2.580 1.00 0.00 C ATOM 1005 CG GLU A 64 9.147 -11.055 1.171 1.00 0.00 C ATOM 1006 CD GLU A 64 10.545 -10.493 0.936 1.00 0.00 C ATOM 1007 OE1 GLU A 64 10.640 -9.490 0.193 1.00 0.00 O ATOM 1008 OE2 GLU A 64 11.498 -11.095 1.476 1.00 0.00 O ATOM 0 H GLU A 64 9.227 -8.005 1.391 1.00 0.00 H new ATOM 0 HA GLU A 64 7.372 -9.154 1.886 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.445 -10.882 3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.837 -11.410 2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.158 -12.135 1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.458 -10.642 0.434 1.00 0.00 H new ATOM 1015 N SER A 65 7.316 -7.656 4.243 1.00 0.00 N ATOM 1016 CA SER A 65 6.718 -7.213 5.488 1.00 0.00 C ATOM 1017 C SER A 65 5.237 -6.911 5.290 1.00 0.00 C ATOM 1018 O SER A 65 4.750 -6.883 4.160 1.00 0.00 O ATOM 1019 CB SER A 65 7.461 -5.980 5.994 1.00 0.00 C ATOM 1020 OG SER A 65 7.373 -5.920 7.400 1.00 0.00 O ATOM 0 H SER A 65 7.552 -6.901 3.599 1.00 0.00 H new ATOM 0 HA SER A 65 6.800 -8.006 6.231 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.506 -6.021 5.686 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.034 -5.079 5.554 1.00 0.00 H new ATOM 0 HG SER A 65 7.852 -5.129 7.724 1.00 0.00 H new ATOM 1026 N THR A 66 4.522 -6.685 6.395 1.00 0.00 N ATOM 1027 CA THR A 66 3.093 -6.435 6.365 1.00 0.00 C ATOM 1028 C THR A 66 2.819 -4.936 6.371 1.00 0.00 C ATOM 1029 O THR A 66 3.404 -4.200 7.164 1.00 0.00 O ATOM 1030 CB THR A 66 2.444 -7.099 7.579 1.00 0.00 C ATOM 1031 OG1 THR A 66 2.816 -8.459 7.630 1.00 0.00 O ATOM 1032 CG2 THR A 66 0.924 -6.994 7.478 1.00 0.00 C ATOM 0 H THR A 66 4.925 -6.672 7.332 1.00 0.00 H new ATOM 0 HA THR A 66 2.669 -6.855 5.453 1.00 0.00 H new ATOM 0 HB THR A 66 2.781 -6.593 8.484 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.400 -8.883 8.410 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.468 -7.469 8.346 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.633 -5.944 7.444 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.584 -7.494 6.571 1.00 0.00 H new ATOM 1040 N LEU A 67 1.897 -4.491 5.513 1.00 0.00 N ATOM 1041 CA LEU A 67 1.501 -3.095 5.445 1.00 0.00 C ATOM 1042 C LEU A 67 0.046 -2.969 5.882 1.00 0.00 C ATOM 1043 O LEU A 67 -0.633 -3.975 6.081 1.00 0.00 O ATOM 1044 CB LEU A 67 1.669 -2.574 4.015 1.00 0.00 C ATOM 1045 CG LEU A 67 3.106 -2.119 3.756 1.00 0.00 C ATOM 1046 CD1 LEU A 67 4.028 -3.324 3.577 1.00 0.00 C ATOM 1047 CD2 LEU A 67 3.133 -1.279 2.481 1.00 0.00 C ATOM 0 H LEU A 67 1.409 -5.093 4.850 1.00 0.00 H new ATOM 0 HA LEU A 67 2.132 -2.502 6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.400 -3.357 3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.985 -1.742 3.846 1.00 0.00 H new ATOM 0 HG LEU A 67 3.453 -1.535 4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.046 -2.979 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.009 -3.934 4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.688 -3.919 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.153 -0.948 2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.779 -1.879 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.487 -0.410 2.604 1.00 0.00 H new ATOM 1059 N HIS A 68 -0.448 -1.732 5.976 1.00 0.00 N ATOM 1060 CA HIS A 68 -1.822 -1.474 6.361 1.00 0.00 C ATOM 1061 C HIS A 68 -2.462 -0.541 5.342 1.00 0.00 C ATOM 1062 O HIS A 68 -1.885 0.486 4.990 1.00 0.00 O ATOM 1063 CB HIS A 68 -1.853 -0.863 7.762 1.00 0.00 C ATOM 1064 CG HIS A 68 -3.236 -0.453 8.194 1.00 0.00 C ATOM 1065 ND1 HIS A 68 -4.408 -1.092 7.875 1.00 0.00 N ATOM 1066 CD2 HIS A 68 -3.545 0.639 8.954 1.00 0.00 C ATOM 1067 CE1 HIS A 68 -5.411 -0.390 8.434 1.00 0.00 C ATOM 1068 NE2 HIS A 68 -4.936 0.678 9.104 1.00 0.00 N ATOM 0 H HIS A 68 0.097 -0.891 5.787 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.388 -2.405 6.381 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.454 -1.584 8.476 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.197 0.007 7.788 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.841 1.347 9.366 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.457 -0.648 8.356 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.479 1.373 9.616 1.00 0.00 H new ATOM 1076 N LEU A 69 -3.643 -0.916 4.847 1.00 0.00 N ATOM 1077 CA LEU A 69 -4.359 -0.120 3.870 1.00 0.00 C ATOM 1078 C LEU A 69 -5.770 0.144 4.379 1.00 0.00 C ATOM 1079 O LEU A 69 -6.359 -0.708 5.041 1.00 0.00 O ATOM 1080 CB LEU A 69 -4.389 -0.869 2.535 1.00 0.00 C ATOM 1081 CG LEU A 69 -4.986 0.003 1.428 1.00 0.00 C ATOM 1082 CD1 LEU A 69 -3.977 1.062 0.994 1.00 0.00 C ATOM 1083 CD2 LEU A 69 -5.329 -0.870 0.225 1.00 0.00 C ATOM 0 H LEU A 69 -4.121 -1.776 5.115 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.859 0.837 3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.378 -1.170 2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.976 -1.782 2.640 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.884 0.490 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.411 1.677 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.721 1.691 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.077 0.575 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.754 -0.251 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.425 -1.355 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.053 -1.629 0.521 1.00 0.00 H new ATOM 1095 N ALA A 70 -6.324 1.307 4.034 1.00 0.00 N ATOM 1096 CA ALA A 70 -7.672 1.671 4.421 1.00 0.00 C ATOM 1097 C ALA A 70 -8.452 2.030 3.166 1.00 0.00 C ATOM 1098 O ALA A 70 -7.895 2.619 2.242 1.00 0.00 O ATOM 1099 CB ALA A 70 -7.625 2.850 5.390 1.00 0.00 C ATOM 0 H ALA A 70 -5.845 2.017 3.479 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.165 0.839 4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.640 3.123 5.680 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.057 2.570 6.277 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.145 3.700 4.905 1.00 0.00 H new ATOM 1105 N LEU A 71 -9.730 1.645 3.118 1.00 0.00 N ATOM 1106 CA LEU A 71 -10.561 1.882 1.953 1.00 0.00 C ATOM 1107 C LEU A 71 -11.711 2.807 2.327 1.00 0.00 C ATOM 1108 O LEU A 71 -11.879 3.155 3.495 1.00 0.00 O ATOM 1109 CB LEU A 71 -11.109 0.554 1.414 1.00 0.00 C ATOM 1110 CG LEU A 71 -10.036 -0.328 0.761 1.00 0.00 C ATOM 1111 CD1 LEU A 71 -9.197 0.481 -0.226 1.00 0.00 C ATOM 1112 CD2 LEU A 71 -9.124 -0.962 1.810 1.00 0.00 C ATOM 0 H LEU A 71 -10.207 1.165 3.882 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.959 2.352 1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.574 0.003 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.891 0.762 0.684 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.552 -1.124 0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.443 -0.164 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.842 0.885 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.706 1.300 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.375 -1.580 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.627 -0.178 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.718 -1.580 2.483 1.00 0.00 H new ATOM 1124 N ARG A 72 -12.509 3.196 1.330 1.00 0.00 N ATOM 1125 CA ARG A 72 -13.661 4.051 1.539 1.00 0.00 C ATOM 1126 C ARG A 72 -14.681 3.342 2.421 1.00 0.00 C ATOM 1127 O ARG A 72 -14.570 2.140 2.660 1.00 0.00 O ATOM 1128 CB ARG A 72 -14.273 4.411 0.185 1.00 0.00 C ATOM 1129 CG ARG A 72 -14.703 3.141 -0.551 1.00 0.00 C ATOM 1130 CD ARG A 72 -15.329 3.506 -1.895 1.00 0.00 C ATOM 1131 NE ARG A 72 -16.546 4.300 -1.717 1.00 0.00 N ATOM 1132 CZ ARG A 72 -17.047 5.103 -2.666 1.00 0.00 C ATOM 1133 NH1 ARG A 72 -16.416 5.230 -3.840 1.00 0.00 N ATOM 1134 NH2 ARG A 72 -18.181 5.778 -2.441 1.00 0.00 N ATOM 0 H ARG A 72 -12.368 2.923 0.358 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.353 4.967 2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.132 5.066 0.328 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.549 4.961 -0.416 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.842 2.491 -0.706 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.418 2.584 0.054 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.611 4.067 -2.493 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.563 2.597 -2.448 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.038 4.239 -0.825 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.553 4.715 -4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.799 5.842 -4.561 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.663 5.681 -1.548 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.563 6.389 -3.163 1.00 0.00 H new ATOM 1148 N LEU A 73 -15.687 4.083 2.889 1.00 0.00 N ATOM 1149 CA LEU A 73 -16.734 3.520 3.720 1.00 0.00 C ATOM 1150 C LEU A 73 -17.640 2.646 2.862 1.00 0.00 C ATOM 1151 O LEU A 73 -17.577 2.700 1.635 1.00 0.00 O ATOM 1152 CB LEU A 73 -17.539 4.651 4.360 1.00 0.00 C ATOM 1153 CG LEU A 73 -16.645 5.510 5.257 1.00 0.00 C ATOM 1154 CD1 LEU A 73 -17.455 6.692 5.786 1.00 0.00 C ATOM 1155 CD2 LEU A 73 -16.130 4.688 6.437 1.00 0.00 C ATOM 0 H LEU A 73 -15.792 5.080 2.701 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.295 2.910 4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.986 5.271 3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.358 4.235 4.946 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.795 5.866 4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -16.824 7.308 6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.816 7.289 4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -18.304 6.323 6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.496 5.312 7.066 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -16.974 4.323 7.022 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.552 3.841 6.066 1.00 0.00 H new ATOM 1167 N ARG A 74 -18.495 1.849 3.507 1.00 0.00 N ATOM 1168 CA ARG A 74 -19.432 1.004 2.792 1.00 0.00 C ATOM 1169 C ARG A 74 -20.668 1.814 2.426 1.00 0.00 C ATOM 1170 O ARG A 74 -21.255 1.609 1.366 1.00 0.00 O ATOM 1171 CB ARG A 74 -19.802 -0.197 3.660 1.00 0.00 C ATOM 1172 CG ARG A 74 -20.612 -1.195 2.833 1.00 0.00 C ATOM 1173 CD ARG A 74 -20.847 -2.470 3.642 1.00 0.00 C ATOM 1174 NE ARG A 74 -21.663 -2.200 4.826 1.00 0.00 N ATOM 1175 CZ ARG A 74 -21.515 -2.838 5.995 1.00 0.00 C ATOM 1176 NH1 ARG A 74 -20.566 -3.771 6.137 1.00 0.00 N ATOM 1177 NH2 ARG A 74 -22.325 -2.545 7.020 1.00 0.00 N ATOM 0 H ARG A 74 -18.552 1.777 4.523 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.975 0.636 1.873 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.900 -0.674 4.043 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -20.381 0.130 4.524 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -21.567 -0.754 2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -20.082 -1.432 1.911 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -21.341 -3.214 3.018 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -19.890 -2.894 3.945 1.00 0.00 H new ATOM 0 HE ARG A 74 -22.387 -1.484 4.758 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -19.953 -3.998 5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -20.456 -4.255 7.028 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -23.052 -1.838 6.910 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -22.215 -3.029 7.911 1.00 0.00 H new ATOM 1191 N GLY A 75 -21.049 2.750 3.300 1.00 0.00 N ATOM 1192 CA GLY A 75 -22.188 3.618 3.067 1.00 0.00 C ATOM 1193 C GLY A 75 -23.376 3.189 3.919 1.00 0.00 C ATOM 1194 O GLY A 75 -24.397 3.874 3.945 1.00 0.00 O ATOM 0 H GLY A 75 -20.572 2.921 4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -21.920 4.648 3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -22.462 3.591 2.012 1.00 0.00 H new ATOM 1198 N GLY A 76 -23.239 2.069 4.632 1.00 0.00 N ATOM 1199 CA GLY A 76 -24.296 1.566 5.488 1.00 0.00 C ATOM 1200 C GLY A 76 -24.031 0.109 5.830 1.00 0.00 C ATOM 1201 O GLY A 76 -23.885 -0.176 7.038 1.00 0.00 O ATOM 0 H GLY A 76 -22.396 1.495 4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -24.351 2.159 6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -25.259 1.662 4.987 1.00 0.00 H new TER 1205 GLY A 76