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 143:sc= 1.31 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= -0.0855 (180deg=-0.824) USER MOD Single : A 2 GLN : amide:sc= -0.787! X(o=-0.79!,f=-0.79) 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 -64:sc= 0.784 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0297 USER MOD Single : A 25 ASN : amide:sc= -0.285 K(o=-0.29,f=-3.5!) 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= -0.162 K(o=-0.16,f=-0.74) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,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 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -160:sc= -0.778 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.774 K(o=-0.77,f=-0.12) 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= -0.797 K(o=-0.8,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.877 -8.666 -0.581 1.00 0.00 N ATOM 2 CA MET A 1 11.781 -7.569 -1.556 1.00 0.00 C ATOM 3 C MET A 1 10.326 -7.226 -1.857 1.00 0.00 C ATOM 4 O MET A 1 10.011 -6.073 -2.145 1.00 0.00 O ATOM 5 CB MET A 1 12.570 -7.861 -2.826 1.00 0.00 C ATOM 6 CG MET A 1 12.917 -6.516 -3.460 1.00 0.00 C ATOM 7 SD MET A 1 14.088 -6.606 -4.832 1.00 0.00 S ATOM 8 CE MET A 1 14.395 -4.833 -5.030 1.00 0.00 C ATOM 0 H1 MET A 1 12.628 -8.454 0.107 1.00 0.00 H new ATOM 0 H2 MET A 1 10.970 -8.768 -0.083 1.00 0.00 H new ATOM 0 H3 MET A 1 12.101 -9.552 -1.077 1.00 0.00 H new ATOM 0 HA MET A 1 12.239 -6.690 -1.102 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.475 -8.423 -2.596 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.982 -8.470 -3.513 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.998 -6.050 -3.815 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.329 -5.863 -2.691 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.105 -4.675 -5.842 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.459 -4.325 -5.262 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.807 -4.430 -4.105 1.00 0.00 H new ATOM 18 N GLN A 2 9.441 -8.226 -1.808 1.00 0.00 N ATOM 19 CA GLN A 2 8.034 -8.018 -2.092 1.00 0.00 C ATOM 20 C GLN A 2 7.341 -7.773 -0.763 1.00 0.00 C ATOM 21 O GLN A 2 7.968 -7.888 0.287 1.00 0.00 O ATOM 22 CB GLN A 2 7.465 -9.276 -2.750 1.00 0.00 C ATOM 23 CG GLN A 2 7.987 -9.409 -4.180 1.00 0.00 C ATOM 24 CD GLN A 2 7.479 -10.694 -4.825 1.00 0.00 C ATOM 25 OE1 GLN A 2 7.324 -11.711 -4.152 1.00 0.00 O ATOM 26 NE2 GLN A 2 7.217 -10.651 -6.132 1.00 0.00 N ATOM 0 H GLN A 2 9.684 -9.188 -1.572 1.00 0.00 H new ATOM 0 HA GLN A 2 7.885 -7.173 -2.765 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.744 -10.156 -2.170 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.376 -9.231 -2.756 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.668 -8.550 -4.770 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.077 -9.405 -4.176 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.360 -9.786 -6.653 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.874 -11.484 -6.611 1.00 0.00 H new ATOM 35 N ILE A 3 6.081 -7.343 -0.801 1.00 0.00 N ATOM 36 CA ILE A 3 5.409 -6.919 0.410 1.00 0.00 C ATOM 37 C ILE A 3 3.973 -7.416 0.430 1.00 0.00 C ATOM 38 O ILE A 3 3.502 -8.013 -0.536 1.00 0.00 O ATOM 39 CB ILE A 3 5.467 -5.392 0.508 1.00 0.00 C ATOM 40 CG1 ILE A 3 4.769 -4.773 -0.708 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.929 -4.949 0.567 1.00 0.00 C ATOM 42 CD1 ILE A 3 4.715 -3.248 -0.600 1.00 0.00 C ATOM 0 H ILE A 3 5.517 -7.282 -1.649 1.00 0.00 H new ATOM 0 HA ILE A 3 5.914 -7.349 1.275 1.00 0.00 H new ATOM 0 HB ILE A 3 4.956 -5.057 1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.298 -5.057 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.757 -5.170 -0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.977 -3.862 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.408 -5.390 1.441 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.446 -5.278 -0.335 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.214 -2.839 -1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.164 -2.966 0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.729 -2.851 -0.543 1.00 0.00 H new ATOM 54 N PHE A 4 3.274 -7.152 1.536 1.00 0.00 N ATOM 55 CA PHE A 4 1.907 -7.590 1.713 1.00 0.00 C ATOM 56 C PHE A 4 1.058 -6.424 2.196 1.00 0.00 C ATOM 57 O PHE A 4 1.228 -5.952 3.319 1.00 0.00 O ATOM 58 CB PHE A 4 1.875 -8.749 2.707 1.00 0.00 C ATOM 59 CG PHE A 4 2.578 -9.986 2.201 1.00 0.00 C ATOM 60 CD1 PHE A 4 1.874 -10.932 1.445 1.00 0.00 C ATOM 61 CD2 PHE A 4 3.937 -10.185 2.479 1.00 0.00 C ATOM 62 CE1 PHE A 4 2.527 -12.075 0.968 1.00 0.00 C ATOM 63 CE2 PHE A 4 4.591 -11.327 2.000 1.00 0.00 C ATOM 64 CZ PHE A 4 3.886 -12.271 1.242 1.00 0.00 C ATOM 0 H PHE A 4 3.648 -6.629 2.327 1.00 0.00 H new ATOM 0 HA PHE A 4 1.497 -7.938 0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.339 -8.431 3.641 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.838 -8.996 2.934 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.827 -10.780 1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.480 -9.457 3.063 1.00 0.00 H new ATOM 0 HE1 PHE A 4 1.982 -12.806 0.389 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.638 -11.480 2.215 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.391 -13.150 0.869 1.00 0.00 H new ATOM 74 N VAL A 5 0.185 -5.920 1.321 1.00 0.00 N ATOM 75 CA VAL A 5 -0.705 -4.826 1.655 1.00 0.00 C ATOM 76 C VAL A 5 -2.038 -5.424 2.072 1.00 0.00 C ATOM 77 O VAL A 5 -2.729 -6.025 1.253 1.00 0.00 O ATOM 78 CB VAL A 5 -0.874 -3.908 0.444 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.784 -2.740 0.817 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.483 -3.361 0.006 1.00 0.00 C ATOM 0 H VAL A 5 0.082 -6.263 0.366 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.297 -4.229 2.471 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.314 -4.478 -0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.906 -2.084 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.758 -3.121 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.338 -2.180 1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.351 -2.709 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.928 -2.795 0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.140 -4.189 -0.262 1.00 0.00 H new ATOM 90 N LYS A 6 -2.368 -5.325 3.360 1.00 0.00 N ATOM 91 CA LYS A 6 -3.531 -6.005 3.888 1.00 0.00 C ATOM 92 C LYS A 6 -4.685 -5.023 4.025 1.00 0.00 C ATOM 93 O LYS A 6 -4.557 -3.995 4.689 1.00 0.00 O ATOM 94 CB LYS A 6 -3.162 -6.658 5.220 1.00 0.00 C ATOM 95 CG LYS A 6 -4.268 -7.619 5.641 1.00 0.00 C ATOM 96 CD LYS A 6 -3.785 -8.520 6.773 1.00 0.00 C ATOM 97 CE LYS A 6 -4.834 -9.602 7.019 1.00 0.00 C ATOM 98 NZ LYS A 6 -4.382 -10.558 8.041 1.00 0.00 N ATOM 0 H LYS A 6 -1.844 -4.782 4.046 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.858 -6.791 3.207 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.217 -7.194 5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.020 -5.894 5.984 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.144 -7.057 5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.575 -8.226 4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.828 -8.973 6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.625 -7.936 7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.769 -9.140 7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.040 -10.131 6.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.114 -11.282 8.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.503 -11.014 7.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.209 -10.055 8.935 1.00 0.00 H new ATOM 112 N THR A 7 -5.760 -5.278 3.274 1.00 0.00 N ATOM 113 CA THR A 7 -6.907 -4.390 3.219 1.00 0.00 C ATOM 114 C THR A 7 -7.632 -4.365 4.559 1.00 0.00 C ATOM 115 O THR A 7 -7.273 -5.096 5.480 1.00 0.00 O ATOM 116 CB THR A 7 -7.854 -4.872 2.122 1.00 0.00 C ATOM 117 OG1 THR A 7 -8.250 -6.194 2.408 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.153 -4.836 0.767 1.00 0.00 C ATOM 0 H THR A 7 -5.852 -6.109 2.689 1.00 0.00 H new ATOM 0 HA THR A 7 -6.567 -3.378 2.998 1.00 0.00 H new ATOM 0 HB THR A 7 -8.726 -4.218 2.086 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.190 -6.315 2.159 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.839 -5.182 -0.007 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.841 -3.815 0.546 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.278 -5.485 0.793 1.00 0.00 H new ATOM 126 N ALA A 8 -8.669 -3.532 4.659 1.00 0.00 N ATOM 127 CA ALA A 8 -9.502 -3.482 5.844 1.00 0.00 C ATOM 128 C ALA A 8 -10.522 -4.618 5.805 1.00 0.00 C ATOM 129 O ALA A 8 -11.296 -4.787 6.745 1.00 0.00 O ATOM 130 CB ALA A 8 -10.213 -2.132 5.906 1.00 0.00 C ATOM 0 H ALA A 8 -8.947 -2.882 3.924 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.883 -3.599 6.733 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.840 -2.092 6.796 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.473 -1.333 5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.834 -2.007 5.019 1.00 0.00 H new ATOM 136 N THR A 9 -10.543 -5.377 4.704 1.00 0.00 N ATOM 137 CA THR A 9 -11.502 -6.454 4.523 1.00 0.00 C ATOM 138 C THR A 9 -10.896 -7.791 4.940 1.00 0.00 C ATOM 139 O THR A 9 -11.582 -8.811 4.920 1.00 0.00 O ATOM 140 CB THR A 9 -11.949 -6.494 3.061 1.00 0.00 C ATOM 141 OG1 THR A 9 -10.835 -6.704 2.223 1.00 0.00 O ATOM 142 CG2 THR A 9 -12.612 -5.169 2.691 1.00 0.00 C ATOM 0 H THR A 9 -9.898 -5.258 3.923 1.00 0.00 H new ATOM 0 HA THR A 9 -12.370 -6.271 5.157 1.00 0.00 H new ATOM 0 HB THR A 9 -12.659 -7.310 2.930 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.129 -6.730 1.288 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.930 -5.200 1.649 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.480 -5.005 3.330 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.901 -4.355 2.830 1.00 0.00 H new ATOM 150 N GLY A 10 -9.619 -7.787 5.334 1.00 0.00 N ATOM 151 CA GLY A 10 -8.949 -8.990 5.797 1.00 0.00 C ATOM 152 C GLY A 10 -8.260 -9.722 4.647 1.00 0.00 C ATOM 153 O GLY A 10 -7.661 -10.774 4.858 1.00 0.00 O ATOM 0 H GLY A 10 -9.031 -6.954 5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.213 -8.729 6.557 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.674 -9.653 6.270 1.00 0.00 H new ATOM 157 N LYS A 11 -8.351 -9.178 3.429 1.00 0.00 N ATOM 158 CA LYS A 11 -7.736 -9.800 2.272 1.00 0.00 C ATOM 159 C LYS A 11 -6.297 -9.328 2.089 1.00 0.00 C ATOM 160 O LYS A 11 -6.043 -8.143 1.884 1.00 0.00 O ATOM 161 CB LYS A 11 -8.578 -9.515 1.031 1.00 0.00 C ATOM 162 CG LYS A 11 -9.945 -10.176 1.201 1.00 0.00 C ATOM 163 CD LYS A 11 -10.780 -9.989 -0.062 1.00 0.00 C ATOM 164 CE LYS A 11 -12.128 -10.684 0.116 1.00 0.00 C ATOM 165 NZ LYS A 11 -12.976 -10.504 -1.073 1.00 0.00 N ATOM 0 H LYS A 11 -8.846 -8.309 3.228 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.698 -10.878 2.430 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.693 -8.440 0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.081 -9.900 0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.820 -11.239 1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.463 -9.742 2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.929 -8.927 -0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.255 -10.403 -0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.972 -11.747 0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.635 -10.282 0.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.886 -10.986 -0.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.143 -9.490 -1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.500 -10.909 -1.904 1.00 0.00 H new ATOM 179 N THR A 12 -5.364 -10.283 2.139 1.00 0.00 N ATOM 180 CA THR A 12 -3.946 -10.046 1.933 1.00 0.00 C ATOM 181 C THR A 12 -3.672 -9.850 0.445 1.00 0.00 C ATOM 182 O THR A 12 -4.258 -10.541 -0.388 1.00 0.00 O ATOM 183 CB THR A 12 -3.178 -11.262 2.459 1.00 0.00 C ATOM 184 OG1 THR A 12 -3.650 -11.597 3.746 1.00 0.00 O ATOM 185 CG2 THR A 12 -1.681 -10.975 2.531 1.00 0.00 C ATOM 0 H THR A 12 -5.586 -11.260 2.328 1.00 0.00 H new ATOM 0 HA THR A 12 -3.626 -9.149 2.463 1.00 0.00 H new ATOM 0 HB THR A 12 -3.340 -12.093 1.772 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.160 -12.376 4.082 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.160 -11.855 2.908 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.309 -10.731 1.536 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.504 -10.134 3.201 1.00 0.00 H new ATOM 193 N ILE A 13 -2.802 -8.893 0.109 1.00 0.00 N ATOM 194 CA ILE A 13 -2.433 -8.631 -1.272 1.00 0.00 C ATOM 195 C ILE A 13 -0.915 -8.556 -1.411 1.00 0.00 C ATOM 196 O ILE A 13 -0.296 -7.595 -0.957 1.00 0.00 O ATOM 197 CB ILE A 13 -3.095 -7.338 -1.757 1.00 0.00 C ATOM 198 CG1 ILE A 13 -4.601 -7.386 -1.480 1.00 0.00 C ATOM 199 CG2 ILE A 13 -2.840 -7.176 -3.257 1.00 0.00 C ATOM 200 CD1 ILE A 13 -5.266 -6.080 -1.912 1.00 0.00 C ATOM 0 H ILE A 13 -2.340 -8.286 0.786 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.788 -9.451 -1.896 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.671 -6.487 -1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.049 -8.223 -2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.776 -7.556 -0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.309 -6.257 -3.609 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.767 -7.129 -3.441 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.263 -8.027 -3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.336 -6.131 -1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.830 -5.249 -1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.107 -5.927 -2.979 1.00 0.00 H new ATOM 212 N THR A 14 -0.321 -9.569 -2.046 1.00 0.00 N ATOM 213 CA THR A 14 1.105 -9.597 -2.324 1.00 0.00 C ATOM 214 C THR A 14 1.425 -8.556 -3.392 1.00 0.00 C ATOM 215 O THR A 14 0.796 -8.552 -4.448 1.00 0.00 O ATOM 216 CB THR A 14 1.494 -10.992 -2.809 1.00 0.00 C ATOM 217 OG1 THR A 14 1.023 -11.959 -1.897 1.00 0.00 O ATOM 218 CG2 THR A 14 3.014 -11.098 -2.920 1.00 0.00 C ATOM 0 H THR A 14 -0.822 -10.392 -2.380 1.00 0.00 H new ATOM 0 HA THR A 14 1.670 -9.366 -1.421 1.00 0.00 H new ATOM 0 HB THR A 14 1.048 -11.166 -3.788 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.467 -11.836 -1.032 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.285 -12.095 -3.266 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.380 -10.356 -3.630 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.464 -10.919 -1.943 1.00 0.00 H new ATOM 226 N LEU A 15 2.332 -7.619 -3.094 1.00 0.00 N ATOM 227 CA LEU A 15 2.646 -6.562 -4.037 1.00 0.00 C ATOM 228 C LEU A 15 4.136 -6.557 -4.354 1.00 0.00 C ATOM 229 O LEU A 15 4.944 -7.025 -3.554 1.00 0.00 O ATOM 230 CB LEU A 15 2.203 -5.222 -3.454 1.00 0.00 C ATOM 231 CG LEU A 15 1.863 -4.238 -4.572 1.00 0.00 C ATOM 232 CD1 LEU A 15 0.577 -4.675 -5.273 1.00 0.00 C ATOM 233 CD2 LEU A 15 1.665 -2.852 -3.968 1.00 0.00 C ATOM 0 H LEU A 15 2.851 -7.578 -2.217 1.00 0.00 H new ATOM 0 HA LEU A 15 2.111 -6.735 -4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.334 -5.367 -2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.995 -4.811 -2.828 1.00 0.00 H new ATOM 0 HG LEU A 15 2.675 -4.215 -5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.339 -3.970 -6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.714 -5.669 -5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.240 -4.698 -4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.422 -2.142 -4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.850 -2.883 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.582 -2.539 -3.468 1.00 0.00 H new ATOM 245 N GLU A 16 4.498 -6.007 -5.517 1.00 0.00 N ATOM 246 CA GLU A 16 5.881 -5.942 -5.947 1.00 0.00 C ATOM 247 C GLU A 16 6.169 -4.589 -6.588 1.00 0.00 C ATOM 248 O GLU A 16 5.692 -4.311 -7.687 1.00 0.00 O ATOM 249 CB GLU A 16 6.151 -7.083 -6.924 1.00 0.00 C ATOM 250 CG GLU A 16 7.612 -7.064 -7.366 1.00 0.00 C ATOM 251 CD GLU A 16 7.924 -8.259 -8.258 1.00 0.00 C ATOM 252 OE1 GLU A 16 6.994 -9.067 -8.470 1.00 0.00 O ATOM 253 OE2 GLU A 16 9.116 -8.415 -8.598 1.00 0.00 O ATOM 0 H GLU A 16 3.837 -5.598 -6.178 1.00 0.00 H new ATOM 0 HA GLU A 16 6.543 -6.049 -5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.919 -8.038 -6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.499 -6.989 -7.793 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.822 -6.139 -7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.261 -7.079 -6.491 1.00 0.00 H new ATOM 260 N VAL A 17 6.941 -3.744 -5.899 1.00 0.00 N ATOM 261 CA VAL A 17 7.327 -2.447 -6.427 1.00 0.00 C ATOM 262 C VAL A 17 8.836 -2.278 -6.304 1.00 0.00 C ATOM 263 O VAL A 17 9.481 -3.016 -5.560 1.00 0.00 O ATOM 264 CB VAL A 17 6.589 -1.342 -5.667 1.00 0.00 C ATOM 265 CG1 VAL A 17 5.082 -1.502 -5.858 1.00 0.00 C ATOM 266 CG2 VAL A 17 6.920 -1.416 -4.176 1.00 0.00 C ATOM 0 H VAL A 17 7.309 -3.943 -4.969 1.00 0.00 H new ATOM 0 HA VAL A 17 7.055 -2.380 -7.480 1.00 0.00 H new ATOM 0 HB VAL A 17 6.907 -0.375 -6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.561 -0.713 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.840 -1.433 -6.919 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.768 -2.474 -5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.389 -0.625 -3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.613 -2.385 -3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.993 -1.290 -4.035 1.00 0.00 H new ATOM 276 N GLU A 18 9.399 -1.289 -7.002 1.00 0.00 N ATOM 277 CA GLU A 18 10.821 -1.014 -6.914 1.00 0.00 C ATOM 278 C GLU A 18 11.086 -0.122 -5.706 1.00 0.00 C ATOM 279 O GLU A 18 10.214 0.642 -5.297 1.00 0.00 O ATOM 280 CB GLU A 18 11.301 -0.328 -8.193 1.00 0.00 C ATOM 281 CG GLU A 18 11.154 -1.261 -9.396 1.00 0.00 C ATOM 282 CD GLU A 18 11.462 -2.705 -9.023 1.00 0.00 C ATOM 283 OE1 GLU A 18 12.650 -2.978 -8.742 1.00 0.00 O ATOM 284 OE2 GLU A 18 10.524 -3.528 -9.104 1.00 0.00 O ATOM 0 H GLU A 18 8.887 -0.671 -7.631 1.00 0.00 H new ATOM 0 HA GLU A 18 11.367 -1.950 -6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.726 0.583 -8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.344 -0.031 -8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.139 -1.194 -9.788 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.825 -0.939 -10.192 1.00 0.00 H new ATOM 291 N PRO A 19 12.302 -0.190 -5.156 1.00 0.00 N ATOM 292 CA PRO A 19 12.703 0.567 -3.989 1.00 0.00 C ATOM 293 C PRO A 19 12.485 2.067 -4.164 1.00 0.00 C ATOM 294 O PRO A 19 12.436 2.798 -3.178 1.00 0.00 O ATOM 295 CB PRO A 19 14.185 0.254 -3.782 1.00 0.00 C ATOM 296 CG PRO A 19 14.396 -1.085 -4.490 1.00 0.00 C ATOM 297 CD PRO A 19 13.345 -1.092 -5.597 1.00 0.00 C ATOM 0 HA PRO A 19 12.099 0.286 -3.126 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.818 1.032 -4.208 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.432 0.186 -2.723 1.00 0.00 H new ATOM 0 HG2 PRO A 19 15.404 -1.166 -4.897 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.260 -1.923 -3.806 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.772 -0.762 -6.544 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.952 -2.096 -5.757 1.00 0.00 H new ATOM 305 N SER A 20 12.386 2.533 -5.413 1.00 0.00 N ATOM 306 CA SER A 20 12.291 3.954 -5.696 1.00 0.00 C ATOM 307 C SER A 20 11.082 4.260 -6.576 1.00 0.00 C ATOM 308 O SER A 20 11.072 5.268 -7.280 1.00 0.00 O ATOM 309 CB SER A 20 13.585 4.427 -6.355 1.00 0.00 C ATOM 310 OG SER A 20 14.676 4.155 -5.503 1.00 0.00 O ATOM 0 H SER A 20 12.370 1.938 -6.241 1.00 0.00 H new ATOM 0 HA SER A 20 12.152 4.494 -4.759 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.723 3.923 -7.312 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.530 5.496 -6.562 1.00 0.00 H new ATOM 0 HG SER A 20 15.506 4.457 -5.928 1.00 0.00 H new ATOM 316 N ASP A 21 10.077 3.380 -6.566 1.00 0.00 N ATOM 317 CA ASP A 21 8.870 3.600 -7.349 1.00 0.00 C ATOM 318 C ASP A 21 7.938 4.540 -6.597 1.00 0.00 C ATOM 319 O ASP A 21 6.921 4.964 -7.140 1.00 0.00 O ATOM 320 CB ASP A 21 8.157 2.270 -7.599 1.00 0.00 C ATOM 321 CG ASP A 21 8.645 1.589 -8.872 1.00 0.00 C ATOM 322 OD1 ASP A 21 8.317 0.393 -9.029 1.00 0.00 O ATOM 323 OD2 ASP A 21 9.195 2.310 -9.733 1.00 0.00 O ATOM 0 H ASP A 21 10.080 2.515 -6.026 1.00 0.00 H new ATOM 0 HA ASP A 21 9.144 4.044 -8.306 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.318 1.607 -6.749 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.083 2.442 -7.669 1.00 0.00 H new ATOM 328 N THR A 22 8.301 4.882 -5.357 1.00 0.00 N ATOM 329 CA THR A 22 7.540 5.798 -4.524 1.00 0.00 C ATOM 330 C THR A 22 6.318 5.087 -3.950 1.00 0.00 C ATOM 331 O THR A 22 5.776 4.175 -4.572 1.00 0.00 O ATOM 332 CB THR A 22 7.134 7.025 -5.347 1.00 0.00 C ATOM 333 OG1 THR A 22 8.235 7.490 -6.095 1.00 0.00 O ATOM 334 CG2 THR A 22 6.644 8.146 -4.434 1.00 0.00 C ATOM 0 H THR A 22 9.142 4.523 -4.905 1.00 0.00 H new ATOM 0 HA THR A 22 8.156 6.134 -3.690 1.00 0.00 H new ATOM 0 HB THR A 22 6.328 6.732 -6.020 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.967 8.273 -6.619 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.360 9.009 -5.037 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.780 7.801 -3.865 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.441 8.430 -3.747 1.00 0.00 H new ATOM 342 N ILE A 23 5.868 5.521 -2.769 1.00 0.00 N ATOM 343 CA ILE A 23 4.678 4.970 -2.144 1.00 0.00 C ATOM 344 C ILE A 23 3.499 5.071 -3.108 1.00 0.00 C ATOM 345 O ILE A 23 2.572 4.267 -3.043 1.00 0.00 O ATOM 346 CB ILE A 23 4.388 5.740 -0.851 1.00 0.00 C ATOM 347 CG1 ILE A 23 5.470 5.455 0.196 1.00 0.00 C ATOM 348 CG2 ILE A 23 3.021 5.340 -0.294 1.00 0.00 C ATOM 349 CD1 ILE A 23 5.390 4.013 0.695 1.00 0.00 C ATOM 0 H ILE A 23 6.319 6.259 -2.228 1.00 0.00 H new ATOM 0 HA ILE A 23 4.836 3.919 -1.902 1.00 0.00 H new ATOM 0 HB ILE A 23 4.386 6.806 -1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.454 5.639 -0.235 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.356 6.140 1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.826 5.894 0.625 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.248 5.570 -1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.013 4.271 -0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.170 3.841 1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.414 3.838 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.529 3.330 -0.143 1.00 0.00 H new ATOM 361 N GLU A 24 3.522 6.079 -3.983 1.00 0.00 N ATOM 362 CA GLU A 24 2.442 6.309 -4.924 1.00 0.00 C ATOM 363 C GLU A 24 2.222 5.085 -5.808 1.00 0.00 C ATOM 364 O GLU A 24 1.087 4.780 -6.168 1.00 0.00 O ATOM 365 CB GLU A 24 2.771 7.538 -5.768 1.00 0.00 C ATOM 366 CG GLU A 24 1.627 7.826 -6.739 1.00 0.00 C ATOM 367 CD GLU A 24 1.836 9.160 -7.443 1.00 0.00 C ATOM 368 OE1 GLU A 24 1.613 10.194 -6.776 1.00 0.00 O ATOM 369 OE2 GLU A 24 2.172 9.124 -8.646 1.00 0.00 O ATOM 0 H GLU A 24 4.287 6.750 -4.053 1.00 0.00 H new ATOM 0 HA GLU A 24 1.517 6.486 -4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.936 8.400 -5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.696 7.373 -6.321 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.561 7.027 -7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.680 7.840 -6.199 1.00 0.00 H new ATOM 376 N ASN A 25 3.297 4.363 -6.132 1.00 0.00 N ATOM 377 CA ASN A 25 3.191 3.206 -7.001 1.00 0.00 C ATOM 378 C ASN A 25 2.502 2.059 -6.274 1.00 0.00 C ATOM 379 O ASN A 25 1.818 1.253 -6.900 1.00 0.00 O ATOM 380 CB ASN A 25 4.582 2.781 -7.458 1.00 0.00 C ATOM 381 CG ASN A 25 4.491 1.719 -8.545 1.00 0.00 C ATOM 382 OD1 ASN A 25 4.488 0.526 -8.254 1.00 0.00 O ATOM 383 ND2 ASN A 25 4.387 2.157 -9.800 1.00 0.00 N ATOM 0 H ASN A 25 4.242 4.563 -5.804 1.00 0.00 H new ATOM 0 HA ASN A 25 2.593 3.469 -7.873 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.127 3.647 -7.834 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.146 2.393 -6.610 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.300 1.490 -10.567 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.394 3.159 -9.993 1.00 0.00 H new ATOM 390 N VAL A 26 2.643 2.009 -4.948 1.00 0.00 N ATOM 391 CA VAL A 26 2.033 0.953 -4.163 1.00 0.00 C ATOM 392 C VAL A 26 0.517 1.045 -4.289 1.00 0.00 C ATOM 393 O VAL A 26 -0.172 0.028 -4.266 1.00 0.00 O ATOM 394 CB VAL A 26 2.468 1.092 -2.701 1.00 0.00 C ATOM 395 CG1 VAL A 26 1.860 -0.028 -1.857 1.00 0.00 C ATOM 396 CG2 VAL A 26 3.991 1.016 -2.606 1.00 0.00 C ATOM 0 H VAL A 26 3.174 2.689 -4.404 1.00 0.00 H new ATOM 0 HA VAL A 26 2.355 -0.022 -4.530 1.00 0.00 H new ATOM 0 HB VAL A 26 2.121 2.055 -2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.178 0.084 -0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.773 0.025 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.195 -0.993 -2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.296 1.115 -1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.332 0.056 -2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.433 1.822 -3.192 1.00 0.00 H new ATOM 406 N LYS A 27 0.002 2.263 -4.484 1.00 0.00 N ATOM 407 CA LYS A 27 -1.422 2.471 -4.661 1.00 0.00 C ATOM 408 C LYS A 27 -1.815 2.195 -6.107 1.00 0.00 C ATOM 409 O LYS A 27 -2.937 1.771 -6.374 1.00 0.00 O ATOM 410 CB LYS A 27 -1.773 3.913 -4.292 1.00 0.00 C ATOM 411 CG LYS A 27 -1.428 4.179 -2.826 1.00 0.00 C ATOM 412 CD LYS A 27 -1.870 5.589 -2.434 1.00 0.00 C ATOM 413 CE LYS A 27 -1.090 6.622 -3.246 1.00 0.00 C ATOM 414 NZ LYS A 27 -1.485 7.993 -2.883 1.00 0.00 N ATOM 0 H LYS A 27 0.559 3.116 -4.522 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.969 1.787 -4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.226 4.604 -4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.835 4.092 -4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.920 3.444 -2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.355 4.069 -2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.939 5.707 -2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.703 5.749 -1.369 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.021 6.491 -3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.265 6.460 -4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.939 8.673 -3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.500 8.123 -3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.295 8.153 -1.873 1.00 0.00 H new ATOM 428 N ALA A 28 -0.887 2.424 -7.041 1.00 0.00 N ATOM 429 CA ALA A 28 -1.169 2.257 -8.454 1.00 0.00 C ATOM 430 C ALA A 28 -1.233 0.780 -8.824 1.00 0.00 C ATOM 431 O ALA A 28 -2.052 0.385 -9.651 1.00 0.00 O ATOM 432 CB ALA A 28 -0.086 2.958 -9.269 1.00 0.00 C ATOM 0 H ALA A 28 0.065 2.726 -6.835 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.139 2.701 -8.676 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.294 2.835 -10.332 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.074 4.020 -9.022 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.885 2.521 -9.036 1.00 0.00 H new ATOM 438 N LYS A 29 -0.397 -0.044 -8.188 1.00 0.00 N ATOM 439 CA LYS A 29 -0.383 -1.467 -8.468 1.00 0.00 C ATOM 440 C LYS A 29 -1.646 -2.115 -7.917 1.00 0.00 C ATOM 441 O LYS A 29 -2.088 -3.142 -8.426 1.00 0.00 O ATOM 442 CB LYS A 29 0.849 -2.098 -7.820 1.00 0.00 C ATOM 443 CG LYS A 29 2.131 -1.631 -8.508 1.00 0.00 C ATOM 444 CD LYS A 29 2.253 -2.286 -9.881 1.00 0.00 C ATOM 445 CE LYS A 29 3.616 -1.952 -10.482 1.00 0.00 C ATOM 446 NZ LYS A 29 3.819 -2.660 -11.755 1.00 0.00 N ATOM 0 H LYS A 29 0.273 0.256 -7.480 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.347 -1.624 -9.546 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.883 -1.835 -6.763 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.777 -3.184 -7.876 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.123 -0.546 -8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.996 -1.886 -7.896 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.137 -3.366 -9.793 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.457 -1.933 -10.537 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.692 -0.877 -10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.404 -2.226 -9.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.753 -2.416 -12.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.769 -3.686 -11.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.079 -2.379 -12.430 1.00 0.00 H new ATOM 460 N ILE A 30 -2.244 -1.501 -6.893 1.00 0.00 N ATOM 461 CA ILE A 30 -3.448 -2.037 -6.290 1.00 0.00 C ATOM 462 C ILE A 30 -4.674 -1.453 -6.981 1.00 0.00 C ATOM 463 O ILE A 30 -5.744 -2.056 -6.955 1.00 0.00 O ATOM 464 CB ILE A 30 -3.456 -1.708 -4.797 1.00 0.00 C ATOM 465 CG1 ILE A 30 -2.280 -2.424 -4.130 1.00 0.00 C ATOM 466 CG2 ILE A 30 -4.756 -2.199 -4.159 1.00 0.00 C ATOM 467 CD1 ILE A 30 -2.146 -1.968 -2.679 1.00 0.00 C ATOM 0 H ILE A 30 -1.909 -0.635 -6.471 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.471 -3.120 -6.410 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.374 -0.629 -4.665 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.431 -3.503 -4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.359 -2.212 -4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.752 -1.960 -3.096 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.604 -1.709 -4.638 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.840 -3.278 -4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.306 -2.483 -2.212 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.973 -0.892 -2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.062 -2.203 -2.138 1.00 0.00 H new ATOM 479 N GLN A 31 -4.514 -0.307 -7.648 1.00 0.00 N ATOM 480 CA GLN A 31 -5.619 0.301 -8.363 1.00 0.00 C ATOM 481 C GLN A 31 -6.066 -0.631 -9.481 1.00 0.00 C ATOM 482 O GLN A 31 -7.256 -0.744 -9.762 1.00 0.00 O ATOM 483 CB GLN A 31 -5.181 1.650 -8.933 1.00 0.00 C ATOM 484 CG GLN A 31 -6.382 2.361 -9.557 1.00 0.00 C ATOM 485 CD GLN A 31 -5.954 3.630 -10.283 1.00 0.00 C ATOM 486 OE1 GLN A 31 -4.993 4.285 -9.886 1.00 0.00 O ATOM 487 NE2 GLN A 31 -6.659 3.965 -11.364 1.00 0.00 N ATOM 0 H GLN A 31 -3.635 0.208 -7.703 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.455 0.466 -7.683 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.751 2.267 -8.144 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.403 1.504 -9.683 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.882 1.690 -10.255 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.105 2.609 -8.780 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.449 3.390 -11.656 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.408 4.796 -11.899 1.00 0.00 H new ATOM 496 N ASP A 32 -5.103 -1.290 -10.129 1.00 0.00 N ATOM 497 CA ASP A 32 -5.389 -2.216 -11.208 1.00 0.00 C ATOM 498 C ASP A 32 -5.785 -3.582 -10.657 1.00 0.00 C ATOM 499 O ASP A 32 -6.528 -4.317 -11.302 1.00 0.00 O ATOM 500 CB ASP A 32 -4.150 -2.340 -12.091 1.00 0.00 C ATOM 501 CG ASP A 32 -4.396 -3.292 -13.254 1.00 0.00 C ATOM 502 OD1 ASP A 32 -3.524 -4.162 -13.466 1.00 0.00 O ATOM 503 OD2 ASP A 32 -5.391 -3.062 -13.976 1.00 0.00 O ATOM 0 H ASP A 32 -4.110 -1.192 -9.916 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.225 -1.838 -11.796 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.873 -1.358 -12.474 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.310 -2.698 -11.496 1.00 0.00 H new ATOM 508 N LYS A 33 -5.282 -3.928 -9.469 1.00 0.00 N ATOM 509 CA LYS A 33 -5.517 -5.242 -8.899 1.00 0.00 C ATOM 510 C LYS A 33 -6.887 -5.307 -8.232 1.00 0.00 C ATOM 511 O LYS A 33 -7.629 -6.265 -8.438 1.00 0.00 O ATOM 512 CB LYS A 33 -4.411 -5.555 -7.891 1.00 0.00 C ATOM 513 CG LYS A 33 -4.491 -7.013 -7.435 1.00 0.00 C ATOM 514 CD LYS A 33 -4.217 -7.951 -8.610 1.00 0.00 C ATOM 515 CE LYS A 33 -4.196 -9.396 -8.117 1.00 0.00 C ATOM 516 NZ LYS A 33 -3.967 -10.333 -9.229 1.00 0.00 N ATOM 0 H LYS A 33 -4.711 -3.312 -8.890 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.502 -5.986 -9.695 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.437 -5.363 -8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.500 -4.894 -7.029 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.767 -7.193 -6.640 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.478 -7.218 -7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.985 -7.828 -9.374 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.263 -7.700 -9.074 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.413 -9.517 -7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.142 -9.631 -7.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.958 -11.307 -8.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.728 -10.232 -9.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.053 -10.122 -9.678 1.00 0.00 H new ATOM 530 N GLU A 34 -7.209 -4.311 -7.403 1.00 0.00 N ATOM 531 CA GLU A 34 -8.459 -4.306 -6.663 1.00 0.00 C ATOM 532 C GLU A 34 -9.484 -3.413 -7.356 1.00 0.00 C ATOM 533 O GLU A 34 -10.678 -3.504 -7.076 1.00 0.00 O ATOM 534 CB GLU A 34 -8.194 -3.826 -5.236 1.00 0.00 C ATOM 535 CG GLU A 34 -9.379 -4.165 -4.333 1.00 0.00 C ATOM 536 CD GLU A 34 -9.642 -5.665 -4.318 1.00 0.00 C ATOM 537 OE1 GLU A 34 -10.764 -6.052 -4.708 1.00 0.00 O ATOM 538 OE2 GLU A 34 -8.711 -6.400 -3.921 1.00 0.00 O ATOM 0 H GLU A 34 -6.616 -3.499 -7.232 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.867 -5.316 -6.629 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.288 -4.294 -4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.022 -2.750 -5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.180 -3.817 -3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.268 -3.640 -4.681 1.00 0.00 H new ATOM 545 N GLY A 35 -9.024 -2.575 -8.288 1.00 0.00 N ATOM 546 CA GLY A 35 -9.906 -1.722 -9.064 1.00 0.00 C ATOM 547 C GLY A 35 -10.279 -0.454 -8.299 1.00 0.00 C ATOM 548 O GLY A 35 -10.929 0.428 -8.857 1.00 0.00 O ATOM 0 H GLY A 35 -8.036 -2.474 -8.520 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.420 -1.452 -10.001 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.811 -2.272 -9.321 1.00 0.00 H new ATOM 552 N ILE A 36 -9.890 -0.364 -7.024 1.00 0.00 N ATOM 553 CA ILE A 36 -10.211 0.794 -6.205 1.00 0.00 C ATOM 554 C ILE A 36 -9.392 1.998 -6.665 1.00 0.00 C ATOM 555 O ILE A 36 -8.165 1.973 -6.585 1.00 0.00 O ATOM 556 CB ILE A 36 -9.924 0.475 -4.736 1.00 0.00 C ATOM 557 CG1 ILE A 36 -10.735 -0.755 -4.320 1.00 0.00 C ATOM 558 CG2 ILE A 36 -10.308 1.674 -3.868 1.00 0.00 C ATOM 559 CD1 ILE A 36 -10.387 -1.169 -2.891 1.00 0.00 C ATOM 0 H ILE A 36 -9.352 -1.084 -6.542 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.268 1.036 -6.312 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.862 0.268 -4.604 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.800 -0.536 -4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.532 -1.580 -5.003 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.103 1.446 -2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.725 2.544 -4.171 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.370 1.888 -3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.973 -2.045 -2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.325 -1.409 -2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.614 -0.349 -2.209 1.00 0.00 H new ATOM 571 N PRO A 37 -10.065 3.065 -7.116 1.00 0.00 N ATOM 572 CA PRO A 37 -9.424 4.277 -7.586 1.00 0.00 C ATOM 573 C PRO A 37 -8.538 4.892 -6.505 1.00 0.00 C ATOM 574 O PRO A 37 -8.643 4.533 -5.334 1.00 0.00 O ATOM 575 CB PRO A 37 -10.558 5.231 -7.964 1.00 0.00 C ATOM 576 CG PRO A 37 -11.779 4.331 -8.153 1.00 0.00 C ATOM 577 CD PRO A 37 -11.504 3.131 -7.252 1.00 0.00 C ATOM 0 HA PRO A 37 -8.772 4.071 -8.435 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.729 5.971 -7.182 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.326 5.779 -8.877 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.698 4.842 -7.866 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.894 4.029 -9.194 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.984 3.252 -6.281 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.898 2.214 -7.690 1.00 0.00 H new ATOM 585 N PRO A 38 -7.723 5.882 -6.885 1.00 0.00 N ATOM 586 CA PRO A 38 -6.841 6.591 -5.981 1.00 0.00 C ATOM 587 C PRO A 38 -7.633 7.301 -4.887 1.00 0.00 C ATOM 588 O PRO A 38 -8.835 7.515 -5.031 1.00 0.00 O ATOM 589 CB PRO A 38 -6.090 7.608 -6.843 1.00 0.00 C ATOM 590 CG PRO A 38 -6.264 7.118 -8.282 1.00 0.00 C ATOM 591 CD PRO A 38 -7.557 6.310 -8.256 1.00 0.00 C ATOM 0 HA PRO A 38 -6.159 5.906 -5.478 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.499 8.610 -6.716 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.036 7.656 -6.568 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.331 7.952 -8.980 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.419 6.506 -8.598 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.403 6.915 -8.583 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.498 5.455 -8.929 1.00 0.00 H new ATOM 599 N ASP A 39 -6.930 7.729 -3.833 1.00 0.00 N ATOM 600 CA ASP A 39 -7.490 8.499 -2.728 1.00 0.00 C ATOM 601 C ASP A 39 -8.411 7.653 -1.857 1.00 0.00 C ATOM 602 O ASP A 39 -8.384 7.771 -0.633 1.00 0.00 O ATOM 603 CB ASP A 39 -8.220 9.732 -3.256 1.00 0.00 C ATOM 604 CG ASP A 39 -8.567 10.675 -2.111 1.00 0.00 C ATOM 605 OD1 ASP A 39 -9.736 10.623 -1.669 1.00 0.00 O ATOM 606 OD2 ASP A 39 -7.639 11.369 -1.644 1.00 0.00 O ATOM 0 H ASP A 39 -5.933 7.543 -3.726 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.663 8.825 -2.098 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.595 10.249 -3.984 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.130 9.429 -3.775 1.00 0.00 H new ATOM 611 N GLN A 40 -9.216 6.787 -2.477 1.00 0.00 N ATOM 612 CA GLN A 40 -10.127 5.934 -1.739 1.00 0.00 C ATOM 613 C GLN A 40 -9.327 4.940 -0.908 1.00 0.00 C ATOM 614 O GLN A 40 -9.842 4.382 0.059 1.00 0.00 O ATOM 615 CB GLN A 40 -11.055 5.216 -2.716 1.00 0.00 C ATOM 616 CG GLN A 40 -12.016 6.235 -3.329 1.00 0.00 C ATOM 617 CD GLN A 40 -12.935 5.584 -4.354 1.00 0.00 C ATOM 618 OE1 GLN A 40 -13.507 4.527 -4.099 1.00 0.00 O ATOM 619 NE2 GLN A 40 -13.096 6.232 -5.508 1.00 0.00 N ATOM 0 H GLN A 40 -9.249 6.664 -3.489 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.738 6.533 -1.064 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.474 4.729 -3.499 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.613 4.435 -2.200 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.614 6.694 -2.541 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.447 7.034 -3.804 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.600 7.107 -5.675 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.716 5.852 -6.224 1.00 0.00 H new ATOM 628 N GLN A 41 -8.053 4.751 -1.266 1.00 0.00 N ATOM 629 CA GLN A 41 -7.153 3.903 -0.512 1.00 0.00 C ATOM 630 C GLN A 41 -6.004 4.740 0.038 1.00 0.00 C ATOM 631 O GLN A 41 -5.530 5.658 -0.628 1.00 0.00 O ATOM 632 CB GLN A 41 -6.652 2.768 -1.407 1.00 0.00 C ATOM 633 CG GLN A 41 -5.776 3.317 -2.532 1.00 0.00 C ATOM 634 CD GLN A 41 -5.319 2.198 -3.458 1.00 0.00 C ATOM 635 OE1 GLN A 41 -4.469 1.392 -3.087 1.00 0.00 O ATOM 636 NE2 GLN A 41 -5.873 2.156 -4.670 1.00 0.00 N ATOM 0 H GLN A 41 -7.627 5.184 -2.085 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.676 3.457 0.334 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.084 2.053 -0.812 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.500 2.229 -1.829 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.332 4.062 -3.101 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.908 3.822 -2.109 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.575 2.847 -4.934 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.594 1.433 -5.333 1.00 0.00 H new ATOM 645 N ARG A 42 -5.529 4.390 1.236 1.00 0.00 N ATOM 646 CA ARG A 42 -4.446 5.101 1.895 1.00 0.00 C ATOM 647 C ARG A 42 -3.580 4.096 2.642 1.00 0.00 C ATOM 648 O ARG A 42 -4.085 3.092 3.138 1.00 0.00 O ATOM 649 CB ARG A 42 -5.029 6.143 2.848 1.00 0.00 C ATOM 650 CG ARG A 42 -5.424 7.393 2.060 1.00 0.00 C ATOM 651 CD ARG A 42 -6.445 8.207 2.847 1.00 0.00 C ATOM 652 NE ARG A 42 -7.731 7.510 2.891 1.00 0.00 N ATOM 653 CZ ARG A 42 -8.825 8.007 3.479 1.00 0.00 C ATOM 654 NH1 ARG A 42 -8.770 9.188 4.108 1.00 0.00 N ATOM 655 NH2 ARG A 42 -9.976 7.324 3.435 1.00 0.00 N ATOM 0 H ARG A 42 -5.890 3.602 1.773 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.827 5.619 1.162 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -5.899 5.734 3.362 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.298 6.400 3.614 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.541 8.000 1.859 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.841 7.107 1.095 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.081 8.376 3.861 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.571 9.187 2.386 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.797 6.593 2.448 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.894 9.709 4.139 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.604 9.566 4.556 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.018 6.426 2.954 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.811 7.702 3.883 1.00 0.00 H new ATOM 669 N LEU A 43 -2.269 4.344 2.676 1.00 0.00 N ATOM 670 CA LEU A 43 -1.317 3.400 3.229 1.00 0.00 C ATOM 671 C LEU A 43 -0.847 3.845 4.607 1.00 0.00 C ATOM 672 O LEU A 43 -0.862 5.033 4.927 1.00 0.00 O ATOM 673 CB LEU A 43 -0.124 3.297 2.280 1.00 0.00 C ATOM 674 CG LEU A 43 -0.448 2.361 1.115 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.647 2.479 0.060 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.513 0.914 1.604 1.00 0.00 C ATOM 0 H LEU A 43 -1.847 5.202 2.321 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.798 2.428 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.133 4.286 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.748 2.927 2.820 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.413 2.640 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.422 1.814 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.697 3.507 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.606 2.201 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.744 0.257 0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.449 0.631 2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.290 0.821 2.363 1.00 0.00 H new ATOM 688 N ALA A 44 -0.379 2.877 5.400 1.00 0.00 N ATOM 689 CA ALA A 44 0.175 3.111 6.719 1.00 0.00 C ATOM 690 C ALA A 44 1.066 1.931 7.087 1.00 0.00 C ATOM 691 O ALA A 44 1.073 0.918 6.389 1.00 0.00 O ATOM 692 CB ALA A 44 -0.958 3.260 7.730 1.00 0.00 C ATOM 0 H ALA A 44 -0.379 1.893 5.130 1.00 0.00 H new ATOM 0 HA ALA A 44 0.765 4.027 6.725 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.540 3.436 8.721 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.589 4.103 7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.555 2.348 7.744 1.00 0.00 H new ATOM 698 N PHE A 45 1.798 2.050 8.195 1.00 0.00 N ATOM 699 CA PHE A 45 2.673 0.990 8.657 1.00 0.00 C ATOM 700 C PHE A 45 2.623 0.913 10.176 1.00 0.00 C ATOM 701 O PHE A 45 3.138 1.796 10.857 1.00 0.00 O ATOM 702 CB PHE A 45 4.096 1.252 8.165 1.00 0.00 C ATOM 703 CG PHE A 45 5.009 0.055 8.298 1.00 0.00 C ATOM 704 CD1 PHE A 45 5.404 -0.391 9.566 1.00 0.00 C ATOM 705 CD2 PHE A 45 5.452 -0.617 7.151 1.00 0.00 C ATOM 706 CE1 PHE A 45 6.238 -1.510 9.686 1.00 0.00 C ATOM 707 CE2 PHE A 45 6.286 -1.735 7.271 1.00 0.00 C ATOM 708 CZ PHE A 45 6.677 -2.183 8.539 1.00 0.00 C ATOM 0 H PHE A 45 1.797 2.880 8.788 1.00 0.00 H new ATOM 0 HA PHE A 45 2.342 0.033 8.255 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.060 1.557 7.119 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.518 2.086 8.726 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.066 0.128 10.451 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.150 -0.272 6.173 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.543 -1.854 10.663 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.628 -2.252 6.386 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.317 -3.048 8.632 1.00 0.00 H new ATOM 718 N ALA A 46 2.006 -0.147 10.705 1.00 0.00 N ATOM 719 CA ALA A 46 1.858 -0.327 12.140 1.00 0.00 C ATOM 720 C ALA A 46 1.171 0.883 12.772 1.00 0.00 C ATOM 721 O ALA A 46 1.275 1.094 13.978 1.00 0.00 O ATOM 722 CB ALA A 46 3.227 -0.581 12.767 1.00 0.00 C ATOM 0 H ALA A 46 1.599 -0.898 10.148 1.00 0.00 H new ATOM 0 HA ALA A 46 1.224 -1.193 12.328 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.115 -0.716 13.843 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.665 -1.479 12.332 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.879 0.271 12.574 1.00 0.00 H new ATOM 728 N GLY A 47 0.470 1.675 11.956 1.00 0.00 N ATOM 729 CA GLY A 47 -0.259 2.837 12.433 1.00 0.00 C ATOM 730 C GLY A 47 0.466 4.125 12.065 1.00 0.00 C ATOM 731 O GLY A 47 -0.107 5.208 12.170 1.00 0.00 O ATOM 0 H GLY A 47 0.396 1.523 10.950 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.261 2.844 12.003 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.377 2.778 13.515 1.00 0.00 H new ATOM 735 N LYS A 48 1.710 4.012 11.593 1.00 0.00 N ATOM 736 CA LYS A 48 2.470 5.168 11.159 1.00 0.00 C ATOM 737 C LYS A 48 1.997 5.579 9.773 1.00 0.00 C ATOM 738 O LYS A 48 1.988 4.762 8.855 1.00 0.00 O ATOM 739 CB LYS A 48 3.961 4.829 11.138 1.00 0.00 C ATOM 740 CG LYS A 48 4.415 4.361 12.520 1.00 0.00 C ATOM 741 CD LYS A 48 5.915 4.075 12.495 1.00 0.00 C ATOM 742 CE LYS A 48 6.381 3.656 13.887 1.00 0.00 C ATOM 743 NZ LYS A 48 7.833 3.416 13.909 1.00 0.00 N ATOM 0 H LYS A 48 2.206 3.125 11.505 1.00 0.00 H new ATOM 0 HA LYS A 48 2.315 5.996 11.851 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.154 4.050 10.401 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.536 5.704 10.835 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.192 5.125 13.265 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.868 3.464 12.809 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.133 3.286 11.775 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.459 4.962 12.170 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.127 4.433 14.608 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.855 2.752 14.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.124 3.133 14.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.070 2.659 13.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.333 4.287 13.639 1.00 0.00 H new ATOM 757 N GLN A 49 1.578 6.836 9.626 1.00 0.00 N ATOM 758 CA GLN A 49 1.091 7.330 8.354 1.00 0.00 C ATOM 759 C GLN A 49 2.249 7.388 7.367 1.00 0.00 C ATOM 760 O GLN A 49 3.360 7.769 7.731 1.00 0.00 O ATOM 761 CB GLN A 49 0.477 8.717 8.554 1.00 0.00 C ATOM 762 CG GLN A 49 0.456 9.493 7.237 1.00 0.00 C ATOM 763 CD GLN A 49 -0.274 10.819 7.399 1.00 0.00 C ATOM 764 OE1 GLN A 49 -1.492 10.842 7.559 1.00 0.00 O ATOM 765 NE2 GLN A 49 0.468 11.926 7.340 1.00 0.00 N ATOM 0 H GLN A 49 1.569 7.525 10.378 1.00 0.00 H new ATOM 0 HA GLN A 49 0.325 6.665 7.957 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.537 8.619 8.940 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.050 9.270 9.299 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.477 9.674 6.901 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.032 8.896 6.466 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.477 11.857 7.206 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.027 12.841 7.429 1.00 0.00 H new ATOM 774 N LEU A 50 1.983 7.016 6.113 1.00 0.00 N ATOM 775 CA LEU A 50 2.972 7.100 5.055 1.00 0.00 C ATOM 776 C LEU A 50 2.598 8.247 4.127 1.00 0.00 C ATOM 777 O LEU A 50 1.434 8.636 4.063 1.00 0.00 O ATOM 778 CB LEU A 50 3.032 5.777 4.293 1.00 0.00 C ATOM 779 CG LEU A 50 3.472 4.646 5.224 1.00 0.00 C ATOM 780 CD1 LEU A 50 3.499 3.339 4.435 1.00 0.00 C ATOM 781 CD2 LEU A 50 4.872 4.926 5.768 1.00 0.00 C ATOM 0 H LEU A 50 1.079 6.651 5.811 1.00 0.00 H new ATOM 0 HA LEU A 50 3.959 7.289 5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.054 5.549 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.728 5.862 3.459 1.00 0.00 H new ATOM 0 HG LEU A 50 2.772 4.574 6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.812 2.525 5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.503 3.129 4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.202 3.429 3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.174 4.114 6.429 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.576 5.000 4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.866 5.864 6.324 1.00 0.00 H new ATOM 793 N GLU A 51 3.579 8.772 3.391 1.00 0.00 N ATOM 794 CA GLU A 51 3.350 9.887 2.493 1.00 0.00 C ATOM 795 C GLU A 51 3.901 9.549 1.114 1.00 0.00 C ATOM 796 O GLU A 51 4.940 8.902 0.998 1.00 0.00 O ATOM 797 CB GLU A 51 4.018 11.135 3.072 1.00 0.00 C ATOM 798 CG GLU A 51 3.770 12.345 2.175 1.00 0.00 C ATOM 799 CD GLU A 51 4.357 13.606 2.797 1.00 0.00 C ATOM 800 OE1 GLU A 51 5.601 13.728 2.774 1.00 0.00 O ATOM 801 OE2 GLU A 51 3.554 14.406 3.325 1.00 0.00 O ATOM 0 H GLU A 51 4.542 8.435 3.405 1.00 0.00 H new ATOM 0 HA GLU A 51 2.283 10.082 2.390 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.629 11.331 4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.090 10.966 3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.216 12.175 1.195 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.699 12.475 2.019 1.00 0.00 H new ATOM 808 N ASP A 52 3.174 9.949 0.067 1.00 0.00 N ATOM 809 CA ASP A 52 3.578 9.681 -1.299 1.00 0.00 C ATOM 810 C ASP A 52 4.557 10.747 -1.772 1.00 0.00 C ATOM 811 O ASP A 52 4.598 11.846 -1.222 1.00 0.00 O ATOM 812 CB ASP A 52 2.339 9.645 -2.192 1.00 0.00 C ATOM 813 CG ASP A 52 1.568 10.958 -2.129 1.00 0.00 C ATOM 814 OD1 ASP A 52 0.957 11.200 -1.065 1.00 0.00 O ATOM 815 OD2 ASP A 52 1.430 11.582 -3.203 1.00 0.00 O ATOM 0 H ASP A 52 2.297 10.463 0.150 1.00 0.00 H new ATOM 0 HA ASP A 52 4.079 8.715 -1.352 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.637 9.445 -3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.690 8.825 -1.883 1.00 0.00 H new ATOM 820 N GLY A 53 5.346 10.421 -2.799 1.00 0.00 N ATOM 821 CA GLY A 53 6.322 11.349 -3.336 1.00 0.00 C ATOM 822 C GLY A 53 7.696 11.079 -2.733 1.00 0.00 C ATOM 823 O GLY A 53 8.610 11.884 -2.895 1.00 0.00 O ATOM 0 H GLY A 53 5.321 9.517 -3.271 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.368 11.252 -4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.017 12.373 -3.120 1.00 0.00 H new ATOM 827 N ARG A 54 7.822 9.980 -1.982 1.00 0.00 N ATOM 828 CA ARG A 54 9.042 9.676 -1.259 1.00 0.00 C ATOM 829 C ARG A 54 9.421 8.211 -1.464 1.00 0.00 C ATOM 830 O ARG A 54 8.555 7.377 -1.725 1.00 0.00 O ATOM 831 CB ARG A 54 8.795 9.987 0.217 1.00 0.00 C ATOM 832 CG ARG A 54 10.094 10.086 1.012 1.00 0.00 C ATOM 833 CD ARG A 54 9.731 10.513 2.433 1.00 0.00 C ATOM 834 NE ARG A 54 10.920 10.838 3.223 1.00 0.00 N ATOM 835 CZ ARG A 54 10.885 11.637 4.299 1.00 0.00 C ATOM 836 NH1 ARG A 54 9.726 12.180 4.693 1.00 0.00 N ATOM 837 NH2 ARG A 54 12.004 11.876 4.991 1.00 0.00 N ATOM 0 H ARG A 54 7.083 9.287 -1.864 1.00 0.00 H new ATOM 0 HA ARG A 54 9.873 10.278 -1.626 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.247 10.925 0.302 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.165 9.210 0.650 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.612 9.127 1.020 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.769 10.809 0.555 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.072 11.380 2.395 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.177 9.712 2.923 1.00 0.00 H new ATOM 0 HE ARG A 54 11.815 10.438 2.942 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.869 11.986 4.174 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.700 12.788 5.512 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.884 11.450 4.700 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.977 12.484 5.810 1.00 0.00 H new ATOM 851 N THR A 55 10.711 7.896 -1.308 1.00 0.00 N ATOM 852 CA THR A 55 11.213 6.539 -1.453 1.00 0.00 C ATOM 853 C THR A 55 10.565 5.643 -0.405 1.00 0.00 C ATOM 854 O THR A 55 10.719 5.873 0.792 1.00 0.00 O ATOM 855 CB THR A 55 12.734 6.553 -1.298 1.00 0.00 C ATOM 856 OG1 THR A 55 13.300 7.414 -2.261 1.00 0.00 O ATOM 857 CG2 THR A 55 13.297 5.144 -1.476 1.00 0.00 C ATOM 0 H THR A 55 11.432 8.580 -1.078 1.00 0.00 H new ATOM 0 HA THR A 55 10.964 6.146 -2.439 1.00 0.00 H new ATOM 0 HB THR A 55 12.984 6.909 -0.299 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.275 7.423 -2.159 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.381 5.168 -1.363 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.868 4.483 -0.723 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.044 4.774 -2.469 1.00 0.00 H new ATOM 865 N LEU A 56 9.823 4.630 -0.859 1.00 0.00 N ATOM 866 CA LEU A 56 9.087 3.758 0.037 1.00 0.00 C ATOM 867 C LEU A 56 10.028 2.871 0.846 1.00 0.00 C ATOM 868 O LEU A 56 9.744 2.575 2.005 1.00 0.00 O ATOM 869 CB LEU A 56 8.095 2.922 -0.779 1.00 0.00 C ATOM 870 CG LEU A 56 8.806 2.027 -1.797 1.00 0.00 C ATOM 871 CD1 LEU A 56 9.049 0.639 -1.206 1.00 0.00 C ATOM 872 CD2 LEU A 56 7.922 1.880 -3.032 1.00 0.00 C ATOM 0 H LEU A 56 9.721 4.399 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 56 8.535 4.366 0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.500 2.305 -0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.403 3.585 -1.299 1.00 0.00 H new ATOM 0 HG LEU A 56 9.762 2.481 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.555 0.014 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.671 0.727 -0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.095 0.185 -0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.421 1.244 -3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.971 1.429 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.741 2.862 -3.469 1.00 0.00 H new ATOM 884 N SER A 57 11.176 2.495 0.272 1.00 0.00 N ATOM 885 CA SER A 57 12.107 1.621 0.966 1.00 0.00 C ATOM 886 C SER A 57 12.906 2.404 1.999 1.00 0.00 C ATOM 887 O SER A 57 13.535 1.810 2.873 1.00 0.00 O ATOM 888 CB SER A 57 13.044 0.966 -0.044 1.00 0.00 C ATOM 889 OG SER A 57 12.299 0.100 -0.869 1.00 0.00 O ATOM 0 H SER A 57 11.474 2.782 -0.660 1.00 0.00 H new ATOM 0 HA SER A 57 11.544 0.846 1.487 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.538 1.727 -0.647 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.827 0.412 0.474 1.00 0.00 H new ATOM 0 HG SER A 57 12.901 -0.547 -1.292 1.00 0.00 H new ATOM 895 N ASP A 58 12.874 3.735 1.914 1.00 0.00 N ATOM 896 CA ASP A 58 13.536 4.574 2.893 1.00 0.00 C ATOM 897 C ASP A 58 12.544 4.945 3.989 1.00 0.00 C ATOM 898 O ASP A 58 12.938 5.409 5.057 1.00 0.00 O ATOM 899 CB ASP A 58 14.068 5.830 2.204 1.00 0.00 C ATOM 900 CG ASP A 58 14.859 6.695 3.175 1.00 0.00 C ATOM 901 OD1 ASP A 58 14.307 7.735 3.592 1.00 0.00 O ATOM 902 OD2 ASP A 58 16.038 6.350 3.410 1.00 0.00 O ATOM 0 H ASP A 58 12.394 4.248 1.174 1.00 0.00 H new ATOM 0 HA ASP A 58 14.373 4.038 3.342 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.703 5.547 1.365 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.236 6.404 1.795 1.00 0.00 H new ATOM 907 N TYR A 59 11.255 4.714 3.726 1.00 0.00 N ATOM 908 CA TYR A 59 10.198 5.104 4.637 1.00 0.00 C ATOM 909 C TYR A 59 10.022 4.064 5.741 1.00 0.00 C ATOM 910 O TYR A 59 10.398 4.310 6.885 1.00 0.00 O ATOM 911 CB TYR A 59 8.904 5.296 3.844 1.00 0.00 C ATOM 912 CG TYR A 59 8.085 6.481 4.300 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.511 7.332 3.346 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.928 6.750 5.667 1.00 0.00 C ATOM 915 CE1 TYR A 59 6.780 8.454 3.753 1.00 0.00 C ATOM 916 CE2 TYR A 59 7.194 7.869 6.083 1.00 0.00 C ATOM 917 CZ TYR A 59 6.619 8.727 5.125 1.00 0.00 C ATOM 918 OH TYR A 59 5.915 9.825 5.522 1.00 0.00 O ATOM 0 H TYR A 59 10.925 4.253 2.878 1.00 0.00 H new ATOM 0 HA TYR A 59 10.462 6.044 5.121 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.149 5.419 2.789 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.299 4.393 3.928 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.633 7.121 2.294 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.373 6.094 6.400 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.340 9.109 3.016 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.069 8.073 7.136 1.00 0.00 H new ATOM 0 HH TYR A 59 5.898 9.866 6.501 1.00 0.00 H new ATOM 928 N ASN A 60 9.410 2.921 5.413 1.00 0.00 N ATOM 929 CA ASN A 60 9.136 1.885 6.396 1.00 0.00 C ATOM 930 C ASN A 60 9.093 0.511 5.733 1.00 0.00 C ATOM 931 O ASN A 60 9.255 -0.502 6.409 1.00 0.00 O ATOM 932 CB ASN A 60 7.793 2.167 7.071 1.00 0.00 C ATOM 933 CG ASN A 60 7.946 3.171 8.206 1.00 0.00 C ATOM 934 OD1 ASN A 60 8.522 2.853 9.243 1.00 0.00 O ATOM 935 ND2 ASN A 60 7.383 4.367 8.031 1.00 0.00 N ATOM 0 H ASN A 60 9.097 2.696 4.469 1.00 0.00 H new ATOM 0 HA ASN A 60 9.933 1.889 7.139 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.087 2.551 6.335 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.376 1.238 7.458 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.420 5.062 8.776 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.915 4.587 7.152 1.00 0.00 H new ATOM 942 N ILE A 61 8.802 0.470 4.430 1.00 0.00 N ATOM 943 CA ILE A 61 8.654 -0.785 3.713 1.00 0.00 C ATOM 944 C ILE A 61 9.896 -1.647 3.913 1.00 0.00 C ATOM 945 O ILE A 61 11.019 -1.158 3.805 1.00 0.00 O ATOM 946 CB ILE A 61 8.420 -0.501 2.226 1.00 0.00 C ATOM 947 CG1 ILE A 61 6.947 -0.172 1.979 1.00 0.00 C ATOM 948 CG2 ILE A 61 8.773 -1.746 1.413 1.00 0.00 C ATOM 949 CD1 ILE A 61 6.611 1.219 2.514 1.00 0.00 C ATOM 0 H ILE A 61 8.665 1.300 3.853 1.00 0.00 H new ATOM 0 HA ILE A 61 7.794 -1.330 4.103 1.00 0.00 H new ATOM 0 HB ILE A 61 9.043 0.343 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.732 -0.219 0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.316 -0.917 2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.608 -1.548 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.820 -2.002 1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.143 -2.578 1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.559 1.436 2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.806 1.253 3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.228 1.962 2.009 1.00 0.00 H new ATOM 961 N GLN A 62 9.685 -2.939 4.178 1.00 0.00 N ATOM 962 CA GLN A 62 10.770 -3.891 4.331 1.00 0.00 C ATOM 963 C GLN A 62 10.433 -5.163 3.559 1.00 0.00 C ATOM 964 O GLN A 62 9.304 -5.338 3.107 1.00 0.00 O ATOM 965 CB GLN A 62 10.988 -4.192 5.814 1.00 0.00 C ATOM 966 CG GLN A 62 11.719 -3.025 6.476 1.00 0.00 C ATOM 967 CD GLN A 62 11.973 -3.309 7.950 1.00 0.00 C ATOM 968 OE1 GLN A 62 12.764 -4.186 8.289 1.00 0.00 O ATOM 969 NE2 GLN A 62 11.317 -2.551 8.830 1.00 0.00 N ATOM 0 H GLN A 62 8.757 -3.346 4.291 1.00 0.00 H new ATOM 0 HA GLN A 62 11.693 -3.472 3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.030 -4.359 6.306 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.568 -5.108 5.927 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.667 -2.848 5.967 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.128 -2.115 6.373 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.669 -1.834 8.503 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.463 -2.688 9.830 1.00 0.00 H new ATOM 978 N LYS A 63 11.421 -6.048 3.413 1.00 0.00 N ATOM 979 CA LYS A 63 11.263 -7.291 2.680 1.00 0.00 C ATOM 980 C LYS A 63 10.200 -8.171 3.331 1.00 0.00 C ATOM 981 O LYS A 63 10.275 -8.463 4.523 1.00 0.00 O ATOM 982 CB LYS A 63 12.610 -8.010 2.593 1.00 0.00 C ATOM 983 CG LYS A 63 13.191 -8.262 3.983 1.00 0.00 C ATOM 984 CD LYS A 63 14.592 -8.850 3.838 1.00 0.00 C ATOM 985 CE LYS A 63 15.189 -9.099 5.219 1.00 0.00 C ATOM 986 NZ LYS A 63 16.544 -9.662 5.113 1.00 0.00 N ATOM 0 H LYS A 63 12.354 -5.916 3.804 1.00 0.00 H new ATOM 0 HA LYS A 63 10.924 -7.070 1.668 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.486 -8.958 2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.308 -7.412 2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.230 -7.331 4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.551 -8.947 4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.549 -9.783 3.276 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.227 -8.167 3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.222 -8.164 5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.550 -9.783 5.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.929 -9.823 6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.505 -10.565 4.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.157 -8.997 4.600 1.00 0.00 H new ATOM 1000 N GLU A 64 9.200 -8.574 2.541 1.00 0.00 N ATOM 1001 CA GLU A 64 8.111 -9.419 3.000 1.00 0.00 C ATOM 1002 C GLU A 64 7.550 -8.904 4.319 1.00 0.00 C ATOM 1003 O GLU A 64 7.244 -9.687 5.217 1.00 0.00 O ATOM 1004 CB GLU A 64 8.590 -10.866 3.110 1.00 0.00 C ATOM 1005 CG GLU A 64 8.783 -11.454 1.713 1.00 0.00 C ATOM 1006 CD GLU A 64 10.087 -10.982 1.085 1.00 0.00 C ATOM 1007 OE1 GLU A 64 10.001 -10.263 0.066 1.00 0.00 O ATOM 1008 OE2 GLU A 64 11.148 -11.325 1.649 1.00 0.00 O ATOM 0 H GLU A 64 9.130 -8.316 1.557 1.00 0.00 H new ATOM 0 HA GLU A 64 7.299 -9.387 2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.527 -10.907 3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.864 -11.458 3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.779 -12.542 1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.946 -11.166 1.077 1.00 0.00 H new ATOM 1015 N SER A 65 7.366 -7.586 4.418 1.00 0.00 N ATOM 1016 CA SER A 65 6.790 -6.989 5.605 1.00 0.00 C ATOM 1017 C SER A 65 5.313 -6.708 5.365 1.00 0.00 C ATOM 1018 O SER A 65 4.859 -6.692 4.222 1.00 0.00 O ATOM 1019 CB SER A 65 7.546 -5.706 5.942 1.00 0.00 C ATOM 1020 OG SER A 65 7.488 -5.475 7.331 1.00 0.00 O ATOM 0 H SER A 65 7.610 -6.919 3.686 1.00 0.00 H new ATOM 0 HA SER A 65 6.876 -7.673 6.449 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.584 -5.788 5.620 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.111 -4.864 5.404 1.00 0.00 H new ATOM 0 HG SER A 65 7.975 -4.652 7.546 1.00 0.00 H new ATOM 1026 N THR A 66 4.563 -6.490 6.446 1.00 0.00 N ATOM 1027 CA THR A 66 3.134 -6.274 6.353 1.00 0.00 C ATOM 1028 C THR A 66 2.812 -4.795 6.512 1.00 0.00 C ATOM 1029 O THR A 66 3.159 -4.189 7.523 1.00 0.00 O ATOM 1030 CB THR A 66 2.434 -7.096 7.434 1.00 0.00 C ATOM 1031 OG1 THR A 66 2.841 -8.443 7.339 1.00 0.00 O ATOM 1032 CG2 THR A 66 0.921 -7.009 7.255 1.00 0.00 C ATOM 0 H THR A 66 4.931 -6.460 7.397 1.00 0.00 H new ATOM 0 HA THR A 66 2.779 -6.592 5.373 1.00 0.00 H new ATOM 0 HB THR A 66 2.703 -6.701 8.414 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.393 -8.970 8.034 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.429 -7.597 8.029 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.605 -5.969 7.333 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.648 -7.398 6.274 1.00 0.00 H new ATOM 1040 N LEU A 67 2.125 -4.220 5.522 1.00 0.00 N ATOM 1041 CA LEU A 67 1.664 -2.847 5.612 1.00 0.00 C ATOM 1042 C LEU A 67 0.198 -2.847 6.020 1.00 0.00 C ATOM 1043 O LEU A 67 -0.422 -3.905 6.113 1.00 0.00 O ATOM 1044 CB LEU A 67 1.858 -2.138 4.272 1.00 0.00 C ATOM 1045 CG LEU A 67 3.225 -1.452 4.234 1.00 0.00 C ATOM 1046 CD1 LEU A 67 4.350 -2.479 4.111 1.00 0.00 C ATOM 1047 CD2 LEU A 67 3.275 -0.516 3.029 1.00 0.00 C ATOM 0 H LEU A 67 1.879 -4.691 4.651 1.00 0.00 H new ATOM 0 HA LEU A 67 2.244 -2.308 6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.780 -2.857 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.068 -1.401 4.124 1.00 0.00 H new ATOM 0 HG LEU A 67 3.362 -0.895 5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.311 -1.965 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.322 -3.154 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.221 -3.052 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.246 -0.022 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.126 -1.091 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.489 0.234 3.118 1.00 0.00 H new ATOM 1059 N HIS A 68 -0.360 -1.658 6.251 1.00 0.00 N ATOM 1060 CA HIS A 68 -1.729 -1.530 6.705 1.00 0.00 C ATOM 1061 C HIS A 68 -2.468 -0.549 5.806 1.00 0.00 C ATOM 1062 O HIS A 68 -2.179 0.646 5.817 1.00 0.00 O ATOM 1063 CB HIS A 68 -1.727 -1.072 8.162 1.00 0.00 C ATOM 1064 CG HIS A 68 -3.088 -1.132 8.801 1.00 0.00 C ATOM 1065 ND1 HIS A 68 -3.417 -1.859 9.917 1.00 0.00 N ATOM 1066 CD2 HIS A 68 -4.203 -0.465 8.386 1.00 0.00 C ATOM 1067 CE1 HIS A 68 -4.720 -1.634 10.170 1.00 0.00 C ATOM 1068 NE2 HIS A 68 -5.246 -0.788 9.263 1.00 0.00 N ATOM 0 H HIS A 68 0.126 -0.770 6.128 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.245 -2.488 6.649 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.037 -1.695 8.731 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.352 -0.050 8.215 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.270 0.194 7.533 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -5.270 -2.073 10.990 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -6.208 -0.451 9.223 1.00 0.00 H new ATOM 1076 N LEU A 69 -3.376 -1.069 4.978 1.00 0.00 N ATOM 1077 CA LEU A 69 -4.112 -0.263 4.022 1.00 0.00 C ATOM 1078 C LEU A 69 -5.464 0.126 4.612 1.00 0.00 C ATOM 1079 O LEU A 69 -6.038 -0.626 5.398 1.00 0.00 O ATOM 1080 CB LEU A 69 -4.302 -1.079 2.742 1.00 0.00 C ATOM 1081 CG LEU A 69 -4.885 -0.224 1.615 1.00 0.00 C ATOM 1082 CD1 LEU A 69 -3.814 0.711 1.059 1.00 0.00 C ATOM 1083 CD2 LEU A 69 -5.367 -1.136 0.490 1.00 0.00 C ATOM 0 H LEU A 69 -3.616 -2.060 4.957 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.561 0.650 3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.344 -1.494 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.964 -1.922 2.941 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.714 0.364 2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.239 1.315 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.453 1.364 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.984 0.122 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.783 -0.531 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.528 -1.719 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.134 -1.810 0.871 1.00 0.00 H new ATOM 1095 N ALA A 70 -5.987 1.282 4.198 1.00 0.00 N ATOM 1096 CA ALA A 70 -7.295 1.744 4.619 1.00 0.00 C ATOM 1097 C ALA A 70 -8.144 2.035 3.391 1.00 0.00 C ATOM 1098 O ALA A 70 -7.642 2.577 2.409 1.00 0.00 O ATOM 1099 CB ALA A 70 -7.147 2.992 5.488 1.00 0.00 C ATOM 0 H ALA A 70 -5.509 1.919 3.561 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.788 0.973 5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.133 3.336 5.802 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.548 2.754 6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.654 3.778 4.915 1.00 0.00 H new ATOM 1105 N LEU A 71 -9.429 1.674 3.447 1.00 0.00 N ATOM 1106 CA LEU A 71 -10.335 1.865 2.328 1.00 0.00 C ATOM 1107 C LEU A 71 -11.513 2.721 2.773 1.00 0.00 C ATOM 1108 O LEU A 71 -11.664 3.009 3.960 1.00 0.00 O ATOM 1109 CB LEU A 71 -10.848 0.510 1.823 1.00 0.00 C ATOM 1110 CG LEU A 71 -9.781 -0.333 1.115 1.00 0.00 C ATOM 1111 CD1 LEU A 71 -9.022 0.502 0.087 1.00 0.00 C ATOM 1112 CD2 LEU A 71 -8.799 -0.937 2.119 1.00 0.00 C ATOM 0 H LEU A 71 -9.861 1.245 4.265 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.801 2.364 1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.243 -0.056 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.678 0.679 1.137 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.294 -1.145 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.271 -0.118 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.720 0.883 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.533 1.338 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.054 -1.529 1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.302 -0.137 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.340 -1.576 2.818 1.00 0.00 H new ATOM 1124 N ARG A 72 -12.372 3.091 1.820 1.00 0.00 N ATOM 1125 CA ARG A 72 -13.576 3.846 2.111 1.00 0.00 C ATOM 1126 C ARG A 72 -14.565 2.971 2.871 1.00 0.00 C ATOM 1127 O ARG A 72 -14.383 1.759 2.965 1.00 0.00 O ATOM 1128 CB ARG A 72 -14.200 4.334 0.804 1.00 0.00 C ATOM 1129 CG ARG A 72 -14.499 3.144 -0.109 1.00 0.00 C ATOM 1130 CD ARG A 72 -15.399 3.588 -1.259 1.00 0.00 C ATOM 1131 NE ARG A 72 -16.745 3.900 -0.774 1.00 0.00 N ATOM 1132 CZ ARG A 72 -17.626 4.647 -1.453 1.00 0.00 C ATOM 1133 NH1 ARG A 72 -17.286 5.182 -2.633 1.00 0.00 N ATOM 1134 NH2 ARG A 72 -18.849 4.858 -0.950 1.00 0.00 N ATOM 0 H ARG A 72 -12.246 2.873 0.832 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.323 4.707 2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.118 4.883 1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.522 5.026 0.304 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.569 2.732 -0.501 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -14.984 2.351 0.459 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.970 4.464 -1.745 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.452 2.800 -2.011 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.028 3.527 0.132 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -16.355 5.021 -3.017 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -17.958 5.750 -3.148 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -19.108 4.450 -0.052 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -19.521 5.426 -1.465 1.00 0.00 H new ATOM 1148 N LEU A 73 -15.626 3.587 3.398 1.00 0.00 N ATOM 1149 CA LEU A 73 -16.682 2.853 4.071 1.00 0.00 C ATOM 1150 C LEU A 73 -17.690 2.365 3.039 1.00 0.00 C ATOM 1151 O LEU A 73 -17.671 2.808 1.891 1.00 0.00 O ATOM 1152 CB LEU A 73 -17.368 3.760 5.092 1.00 0.00 C ATOM 1153 CG LEU A 73 -16.380 4.197 6.174 1.00 0.00 C ATOM 1154 CD1 LEU A 73 -17.087 5.141 7.143 1.00 0.00 C ATOM 1155 CD2 LEU A 73 -15.867 2.983 6.946 1.00 0.00 C ATOM 0 H LEU A 73 -15.770 4.596 3.367 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.259 1.994 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.777 4.637 4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.206 3.234 5.549 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.536 4.701 5.702 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -16.389 5.457 7.918 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.448 6.015 6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -17.930 4.626 7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.165 3.310 7.713 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -16.706 2.470 7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.364 2.301 6.260 1.00 0.00 H new ATOM 1167 N ARG A 74 -18.592 1.472 3.455 1.00 0.00 N ATOM 1168 CA ARG A 74 -19.615 0.953 2.566 1.00 0.00 C ATOM 1169 C ARG A 74 -20.622 2.051 2.249 1.00 0.00 C ATOM 1170 O ARG A 74 -21.111 2.136 1.124 1.00 0.00 O ATOM 1171 CB ARG A 74 -20.302 -0.243 3.224 1.00 0.00 C ATOM 1172 CG ARG A 74 -21.289 -0.872 2.241 1.00 0.00 C ATOM 1173 CD ARG A 74 -21.853 -2.164 2.830 1.00 0.00 C ATOM 1174 NE ARG A 74 -22.591 -1.902 4.066 1.00 0.00 N ATOM 1175 CZ ARG A 74 -22.649 -2.757 5.095 1.00 0.00 C ATOM 1176 NH1 ARG A 74 -22.011 -3.934 5.026 1.00 0.00 N ATOM 1177 NH2 ARG A 74 -23.348 -2.437 6.189 1.00 0.00 N ATOM 0 H ARG A 74 -18.628 1.098 4.403 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.161 0.622 1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -19.559 -0.979 3.530 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -20.825 0.076 4.126 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -22.099 -0.174 2.028 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -20.791 -1.080 1.294 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -22.511 -2.641 2.104 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -21.040 -2.862 3.029 1.00 0.00 H new ATOM 0 HE ARG A 74 -23.090 -1.016 4.149 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -21.481 -4.179 4.189 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -22.055 -4.585 5.810 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -23.836 -1.543 6.239 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -23.393 -3.087 6.974 1.00 0.00 H new ATOM 1191 N GLY A 75 -20.901 2.910 3.232 1.00 0.00 N ATOM 1192 CA GLY A 75 -21.828 4.014 3.065 1.00 0.00 C ATOM 1193 C GLY A 75 -23.121 3.746 3.826 1.00 0.00 C ATOM 1194 O GLY A 75 -23.991 4.613 3.895 1.00 0.00 O ATOM 0 H GLY A 75 -20.487 2.854 4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -21.372 4.937 3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -22.045 4.157 2.006 1.00 0.00 H new ATOM 1198 N GLY A 76 -23.240 2.553 4.414 1.00 0.00 N ATOM 1199 CA GLY A 76 -24.418 2.178 5.171 1.00 0.00 C ATOM 1200 C GLY A 76 -24.449 0.669 5.355 1.00 0.00 C ATOM 1201 O GLY A 76 -24.328 0.234 6.520 1.00 0.00 O ATOM 0 H GLY A 76 -22.522 1.829 4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -24.411 2.673 6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -25.317 2.509 4.651 1.00 0.00 H new TER 1205 GLY A 76