USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 777 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 68 GLN : amide:sc= -0.859 K(o=-2,f=-4.2!) USER MOD Set 1.2: A 71 GLN : amide:sc= -1.1 K(o=-2,f=-4.8!) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0576 (180deg=-0.44) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.0653 (180deg=-0.248) USER MOD Single : A 2 LYS NZ :NH3+ -111:sc= -0.562 (180deg=-2.23!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= -0.222 (180deg=-0.222) USER MOD Single : A 13 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.027) USER MOD Single : A 16 THR OG1 : rot 83:sc= 0.957 USER MOD Single : A 19 GLN : amide:sc= -0.257 K(o=-0.26,f=-2.6!) USER MOD Single : A 21 CYS SG : rot 180:sc= -0.454 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.095 K(o=-0.095,f=-1.4!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.25) USER MOD Single : A 40 GLN : amide:sc= -1.22 K(o=-1.2,f=-4.8!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 175:sc= -0.827 USER MOD Single : A 47 GLN : amide:sc= -0.817 K(o=-0.82,f=-4.2!) USER MOD Single : A 49 CYS SG : rot -19:sc= -0.453 USER MOD Single : A 56 ASN : amide:sc= -0.03 K(o=-0.03,f=-2.2!) USER MOD Single : A 62 HIS : no HD1:sc= -0.579 K(o=-0.58,f=0.028) USER MOD Single : A 66 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.02) USER MOD Single : A 67 GLN : amide:sc= -0.876 K(o=-0.88,f=-0.22) USER MOD Single : A 78 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.012) USER MOD Single : A 82 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.9!) USER MOD Single : A 91 SER OG : rot -47:sc= 1.22 USER MOD Single : A 94 SER OG : rot 99:sc= 0.726 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.092 -3.169 -23.429 1.00 0.00 N ATOM 2 CA MET A 1 -5.205 -2.192 -23.560 1.00 0.00 C ATOM 3 C MET A 1 -5.957 -2.029 -22.242 1.00 0.00 C ATOM 4 O MET A 1 -6.564 -0.988 -21.988 1.00 0.00 O ATOM 5 CB MET A 1 -6.155 -2.681 -24.656 1.00 0.00 C ATOM 6 CG MET A 1 -5.950 -1.988 -25.994 1.00 0.00 C ATOM 7 SD MET A 1 -6.428 -0.250 -25.956 1.00 0.00 S ATOM 8 CE MET A 1 -8.206 -0.391 -25.786 1.00 0.00 C ATOM 0 H1 MET A 1 -3.498 -3.135 -24.282 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.517 -2.930 -22.596 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.482 -4.127 -23.317 1.00 0.00 H new ATOM 0 HA MET A 1 -4.796 -1.217 -23.824 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.021 -3.755 -24.788 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.183 -2.526 -24.330 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.902 -2.066 -26.283 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.531 -2.504 -26.759 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.675 0.547 -26.081 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.570 -1.196 -26.425 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.456 -0.611 -24.748 1.00 0.00 H new ATOM 17 N LYS A 2 -5.915 -3.063 -21.407 1.00 0.00 N ATOM 18 CA LYS A 2 -6.594 -3.032 -20.117 1.00 0.00 C ATOM 19 C LYS A 2 -5.645 -2.585 -19.008 1.00 0.00 C ATOM 20 O LYS A 2 -5.627 -3.164 -17.921 1.00 0.00 O ATOM 21 CB LYS A 2 -7.169 -4.411 -19.787 1.00 0.00 C ATOM 22 CG LYS A 2 -8.289 -4.843 -20.720 1.00 0.00 C ATOM 23 CD LYS A 2 -7.834 -5.937 -21.672 1.00 0.00 C ATOM 24 CE LYS A 2 -8.668 -5.952 -22.942 1.00 0.00 C ATOM 25 NZ LYS A 2 -8.665 -4.629 -23.624 1.00 0.00 N ATOM 0 H LYS A 2 -5.418 -3.932 -21.601 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.409 -2.311 -20.183 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.368 -5.149 -19.829 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.543 -4.404 -18.763 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.135 -5.200 -20.133 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.638 -3.984 -21.293 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -6.785 -5.786 -21.926 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -7.906 -6.905 -21.177 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -8.281 -6.711 -23.621 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.693 -6.233 -22.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -9.610 -4.200 -23.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.967 -4.006 -23.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -8.416 -4.755 -24.626 1.00 0.00 H new ATOM 39 N THR A 3 -4.859 -1.550 -19.288 1.00 0.00 N ATOM 40 CA THR A 3 -3.910 -1.027 -18.312 1.00 0.00 C ATOM 41 C THR A 3 -4.613 -0.167 -17.263 1.00 0.00 C ATOM 42 O THR A 3 -4.064 0.093 -16.192 1.00 0.00 O ATOM 43 CB THR A 3 -2.824 -0.209 -19.013 1.00 0.00 C ATOM 44 OG1 THR A 3 -2.311 -0.910 -20.131 1.00 0.00 O ATOM 45 CG2 THR A 3 -1.657 0.133 -18.111 1.00 0.00 C ATOM 0 H THR A 3 -4.861 -1.058 -20.181 1.00 0.00 H new ATOM 0 HA THR A 3 -3.450 -1.875 -17.806 1.00 0.00 H new ATOM 0 HB THR A 3 -3.311 0.717 -19.318 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.619 -0.370 -20.567 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.923 0.713 -18.670 1.00 0.00 H new ATOM 0 HG22 THR A 3 -2.012 0.718 -17.262 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.194 -0.786 -17.750 1.00 0.00 H new ATOM 53 N ALA A 4 -5.828 0.276 -17.576 1.00 0.00 N ATOM 54 CA ALA A 4 -6.599 1.107 -16.659 1.00 0.00 C ATOM 55 C ALA A 4 -7.259 0.268 -15.568 1.00 0.00 C ATOM 56 O ALA A 4 -7.551 0.768 -14.482 1.00 0.00 O ATOM 57 CB ALA A 4 -7.650 1.897 -17.425 1.00 0.00 C ATOM 0 H ALA A 4 -6.299 0.073 -18.458 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.912 1.802 -16.176 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -8.220 2.514 -16.730 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.161 2.536 -18.160 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -8.324 1.208 -17.934 1.00 0.00 H new ATOM 63 N LEU A 5 -7.496 -1.006 -15.865 1.00 0.00 N ATOM 64 CA LEU A 5 -8.127 -1.909 -14.909 1.00 0.00 C ATOM 65 C LEU A 5 -7.179 -2.257 -13.764 1.00 0.00 C ATOM 66 O LEU A 5 -7.543 -2.158 -12.592 1.00 0.00 O ATOM 67 CB LEU A 5 -8.584 -3.188 -15.614 1.00 0.00 C ATOM 68 CG LEU A 5 -10.026 -3.167 -16.124 1.00 0.00 C ATOM 69 CD1 LEU A 5 -10.142 -3.936 -17.431 1.00 0.00 C ATOM 70 CD2 LEU A 5 -10.967 -3.744 -15.077 1.00 0.00 C ATOM 0 H LEU A 5 -7.261 -1.436 -16.760 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.994 -1.399 -14.489 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.919 -3.377 -16.457 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.471 -4.025 -14.925 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.312 -2.132 -16.311 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -11.175 -3.910 -17.778 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.496 -3.479 -18.180 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.839 -4.971 -17.272 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.989 -3.722 -15.455 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.682 -4.774 -14.860 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.905 -3.150 -14.165 1.00 0.00 H new ATOM 82 N LEU A 6 -5.964 -2.671 -14.111 1.00 0.00 N ATOM 83 CA LEU A 6 -4.968 -3.041 -13.110 1.00 0.00 C ATOM 84 C LEU A 6 -4.707 -1.896 -12.135 1.00 0.00 C ATOM 85 O LEU A 6 -4.749 -2.084 -10.919 1.00 0.00 O ATOM 86 CB LEU A 6 -3.661 -3.457 -13.790 1.00 0.00 C ATOM 87 CG LEU A 6 -3.121 -2.464 -14.821 1.00 0.00 C ATOM 88 CD1 LEU A 6 -2.143 -1.497 -14.170 1.00 0.00 C ATOM 89 CD2 LEU A 6 -2.456 -3.202 -15.974 1.00 0.00 C ATOM 0 H LEU A 6 -5.645 -2.759 -15.076 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.363 -3.885 -12.544 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.902 -3.608 -13.022 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.815 -4.418 -14.280 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.958 -1.890 -15.218 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.769 -0.798 -14.919 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.650 -0.944 -13.379 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.308 -2.055 -13.745 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.078 -2.480 -16.698 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.629 -3.802 -15.593 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.184 -3.853 -16.457 1.00 0.00 H new ATOM 101 N LEU A 7 -4.436 -0.710 -12.672 1.00 0.00 N ATOM 102 CA LEU A 7 -4.166 0.459 -11.841 1.00 0.00 C ATOM 103 C LEU A 7 -5.390 0.835 -11.011 1.00 0.00 C ATOM 104 O LEU A 7 -5.269 1.212 -9.846 1.00 0.00 O ATOM 105 CB LEU A 7 -3.735 1.644 -12.708 1.00 0.00 C ATOM 106 CG LEU A 7 -4.830 2.235 -13.598 1.00 0.00 C ATOM 107 CD1 LEU A 7 -5.714 3.188 -12.804 1.00 0.00 C ATOM 108 CD2 LEU A 7 -4.214 2.947 -14.793 1.00 0.00 C ATOM 0 H LEU A 7 -4.398 -0.533 -13.676 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.354 0.206 -11.159 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.355 2.431 -12.056 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.906 1.327 -13.341 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.453 1.419 -13.964 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.486 3.597 -13.456 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.183 2.649 -11.981 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.107 4.001 -12.406 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.006 3.362 -15.417 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.568 3.752 -14.443 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.627 2.238 -15.376 1.00 0.00 H new ATOM 120 N GLU A 8 -6.567 0.730 -11.619 1.00 0.00 N ATOM 121 CA GLU A 8 -7.812 1.060 -10.934 1.00 0.00 C ATOM 122 C GLU A 8 -8.080 0.083 -9.794 1.00 0.00 C ATOM 123 O GLU A 8 -8.679 0.445 -8.781 1.00 0.00 O ATOM 124 CB GLU A 8 -8.982 1.044 -11.919 1.00 0.00 C ATOM 125 CG GLU A 8 -9.230 2.385 -12.591 1.00 0.00 C ATOM 126 CD GLU A 8 -10.666 2.551 -13.049 1.00 0.00 C ATOM 127 OE1 GLU A 8 -11.522 2.888 -12.204 1.00 0.00 O ATOM 128 OE2 GLU A 8 -10.934 2.345 -14.251 1.00 0.00 O ATOM 0 H GLU A 8 -6.685 0.419 -12.583 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.712 2.062 -10.516 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.791 0.293 -12.685 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.886 0.739 -11.392 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.979 3.187 -11.897 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.565 2.486 -13.449 1.00 0.00 H new ATOM 135 N LYS A 9 -7.632 -1.156 -9.966 1.00 0.00 N ATOM 136 CA LYS A 9 -7.823 -2.186 -8.952 1.00 0.00 C ATOM 137 C LYS A 9 -6.892 -1.962 -7.765 1.00 0.00 C ATOM 138 O LYS A 9 -7.261 -2.213 -6.618 1.00 0.00 O ATOM 139 CB LYS A 9 -7.578 -3.572 -9.553 1.00 0.00 C ATOM 140 CG LYS A 9 -8.731 -4.077 -10.405 1.00 0.00 C ATOM 141 CD LYS A 9 -8.301 -5.230 -11.296 1.00 0.00 C ATOM 142 CE LYS A 9 -9.408 -6.262 -11.444 1.00 0.00 C ATOM 143 NZ LYS A 9 -10.180 -6.071 -12.703 1.00 0.00 N ATOM 0 H LYS A 9 -7.134 -1.471 -10.798 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.852 -2.126 -8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.674 -3.541 -10.161 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.395 -4.282 -8.746 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.548 -4.400 -9.759 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.114 -3.263 -11.021 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.024 -4.848 -12.279 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.414 -5.704 -10.877 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.976 -7.263 -11.431 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.083 -6.196 -10.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.925 -6.794 -12.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.614 -5.126 -12.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.541 -6.160 -13.519 1.00 0.00 H new ATOM 157 N LEU A 10 -5.683 -1.488 -8.049 1.00 0.00 N ATOM 158 CA LEU A 10 -4.698 -1.229 -7.006 1.00 0.00 C ATOM 159 C LEU A 10 -5.155 -0.093 -6.095 1.00 0.00 C ATOM 160 O LEU A 10 -5.108 -0.209 -4.871 1.00 0.00 O ATOM 161 CB LEU A 10 -3.343 -0.886 -7.629 1.00 0.00 C ATOM 162 CG LEU A 10 -2.397 -2.074 -7.814 1.00 0.00 C ATOM 163 CD1 LEU A 10 -2.054 -2.698 -6.470 1.00 0.00 C ATOM 164 CD2 LEU A 10 -3.016 -3.108 -8.742 1.00 0.00 C ATOM 0 H LEU A 10 -5.362 -1.275 -8.994 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.596 -2.133 -6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.514 -0.422 -8.600 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.850 -0.142 -7.003 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.475 -1.712 -8.269 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.380 -3.541 -6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.569 -1.955 -5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.967 -3.045 -5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.330 -3.946 -8.862 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.953 -3.465 -8.315 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.209 -2.655 -9.714 1.00 0.00 H new ATOM 176 N GLU A 11 -5.595 1.004 -6.702 1.00 0.00 N ATOM 177 CA GLU A 11 -6.060 2.162 -5.946 1.00 0.00 C ATOM 178 C GLU A 11 -7.357 1.846 -5.207 1.00 0.00 C ATOM 179 O GLU A 11 -7.547 2.259 -4.063 1.00 0.00 O ATOM 180 CB GLU A 11 -6.269 3.356 -6.879 1.00 0.00 C ATOM 181 CG GLU A 11 -7.357 3.134 -7.918 1.00 0.00 C ATOM 182 CD GLU A 11 -7.353 4.196 -9.001 1.00 0.00 C ATOM 183 OE1 GLU A 11 -6.306 4.369 -9.660 1.00 0.00 O ATOM 184 OE2 GLU A 11 -8.397 4.855 -9.190 1.00 0.00 O ATOM 0 H GLU A 11 -5.640 1.116 -7.715 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.296 2.414 -5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.521 4.233 -6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.331 3.577 -7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.224 2.153 -8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.329 3.126 -7.425 1.00 0.00 H new ATOM 191 N GLY A 12 -8.246 1.113 -5.869 1.00 0.00 N ATOM 192 CA GLY A 12 -9.514 0.757 -5.259 1.00 0.00 C ATOM 193 C GLY A 12 -9.344 -0.107 -4.025 1.00 0.00 C ATOM 194 O GLY A 12 -10.110 0.009 -3.068 1.00 0.00 O ATOM 0 H GLY A 12 -8.111 0.759 -6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.052 1.666 -4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.128 0.227 -5.988 1.00 0.00 H new ATOM 198 N GLN A 13 -8.339 -0.975 -4.046 1.00 0.00 N ATOM 199 CA GLN A 13 -8.072 -1.863 -2.920 1.00 0.00 C ATOM 200 C GLN A 13 -7.450 -1.097 -1.757 1.00 0.00 C ATOM 201 O GLN A 13 -7.916 -1.188 -0.621 1.00 0.00 O ATOM 202 CB GLN A 13 -7.146 -3.001 -3.351 1.00 0.00 C ATOM 203 CG GLN A 13 -7.056 -4.130 -2.338 1.00 0.00 C ATOM 204 CD GLN A 13 -8.306 -4.987 -2.309 1.00 0.00 C ATOM 205 OE1 GLN A 13 -8.404 -5.987 -3.020 1.00 0.00 O ATOM 206 NE2 GLN A 13 -9.272 -4.597 -1.484 1.00 0.00 N ATOM 0 H GLN A 13 -7.696 -1.083 -4.830 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.021 -2.282 -2.587 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.497 -3.404 -4.301 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.148 -2.600 -3.525 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.196 -4.757 -2.573 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.884 -3.711 -1.347 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.148 -3.761 -0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.137 -5.133 -1.422 1.00 0.00 H new ATOM 215 N LEU A 14 -6.394 -0.345 -2.048 1.00 0.00 N ATOM 216 CA LEU A 14 -5.706 0.435 -1.026 1.00 0.00 C ATOM 217 C LEU A 14 -6.645 1.457 -0.393 1.00 0.00 C ATOM 218 O LEU A 14 -6.556 1.739 0.802 1.00 0.00 O ATOM 219 CB LEU A 14 -4.494 1.147 -1.629 1.00 0.00 C ATOM 220 CG LEU A 14 -3.494 1.697 -0.610 1.00 0.00 C ATOM 221 CD1 LEU A 14 -2.075 1.602 -1.150 1.00 0.00 C ATOM 222 CD2 LEU A 14 -3.838 3.135 -0.253 1.00 0.00 C ATOM 0 H LEU A 14 -5.996 -0.259 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.369 -0.251 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.973 0.452 -2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.847 1.970 -2.250 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.555 1.094 0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.378 1.998 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.833 0.559 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.996 2.181 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.118 3.512 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.804 3.751 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.839 3.174 0.176 1.00 0.00 H new ATOM 234 N ALA A 15 -7.542 2.010 -1.201 1.00 0.00 N ATOM 235 CA ALA A 15 -8.496 3.002 -0.720 1.00 0.00 C ATOM 236 C ALA A 15 -9.501 2.378 0.243 1.00 0.00 C ATOM 237 O ALA A 15 -9.701 2.871 1.353 1.00 0.00 O ATOM 238 CB ALA A 15 -9.217 3.652 -1.891 1.00 0.00 C ATOM 0 H ALA A 15 -7.629 1.788 -2.193 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.942 3.768 -0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.926 4.390 -1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.490 4.142 -2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.752 2.890 -2.457 1.00 0.00 H new ATOM 244 N THR A 16 -10.131 1.292 -0.191 1.00 0.00 N ATOM 245 CA THR A 16 -11.117 0.601 0.632 1.00 0.00 C ATOM 246 C THR A 16 -10.479 0.044 1.900 1.00 0.00 C ATOM 247 O THR A 16 -10.978 0.258 3.005 1.00 0.00 O ATOM 248 CB THR A 16 -11.771 -0.531 -0.162 1.00 0.00 C ATOM 249 OG1 THR A 16 -12.350 -0.038 -1.356 1.00 0.00 O ATOM 250 CG2 THR A 16 -12.854 -1.254 0.609 1.00 0.00 C ATOM 0 H THR A 16 -9.977 0.871 -1.107 1.00 0.00 H new ATOM 0 HA THR A 16 -11.880 1.324 0.920 1.00 0.00 H new ATOM 0 HB THR A 16 -10.967 -1.235 -0.376 1.00 0.00 H new ATOM 0 HG1 THR A 16 -11.661 0.030 -2.050 1.00 0.00 H new ATOM 0 HG21 THR A 16 -13.276 -2.044 -0.011 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.428 -1.690 1.512 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.639 -0.549 0.882 1.00 0.00 H new ATOM 258 N LEU A 17 -9.373 -0.675 1.734 1.00 0.00 N ATOM 259 CA LEU A 17 -8.667 -1.266 2.865 1.00 0.00 C ATOM 260 C LEU A 17 -8.226 -0.194 3.857 1.00 0.00 C ATOM 261 O LEU A 17 -8.487 -0.298 5.055 1.00 0.00 O ATOM 262 CB LEU A 17 -7.451 -2.055 2.378 1.00 0.00 C ATOM 263 CG LEU A 17 -7.083 -3.270 3.232 1.00 0.00 C ATOM 264 CD1 LEU A 17 -6.616 -2.829 4.611 1.00 0.00 C ATOM 265 CD2 LEU A 17 -8.267 -4.218 3.345 1.00 0.00 C ATOM 0 H LEU A 17 -8.946 -0.862 0.827 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.354 -1.943 3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.639 -2.390 1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.593 -1.384 2.339 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.264 -3.800 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.358 -3.706 5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.740 -2.188 4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.415 -2.277 5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.988 -5.077 3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.105 -3.699 3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.557 -4.558 2.351 1.00 0.00 H new ATOM 277 N ARG A 18 -7.556 0.835 3.349 1.00 0.00 N ATOM 278 CA ARG A 18 -7.077 1.926 4.191 1.00 0.00 C ATOM 279 C ARG A 18 -8.238 2.657 4.860 1.00 0.00 C ATOM 280 O ARG A 18 -8.075 3.254 5.925 1.00 0.00 O ATOM 281 CB ARG A 18 -6.251 2.911 3.361 1.00 0.00 C ATOM 282 CG ARG A 18 -5.513 3.944 4.198 1.00 0.00 C ATOM 283 CD ARG A 18 -6.250 5.274 4.221 1.00 0.00 C ATOM 284 NE ARG A 18 -5.346 6.396 4.461 1.00 0.00 N ATOM 285 CZ ARG A 18 -5.751 7.655 4.613 1.00 0.00 C ATOM 286 NH1 ARG A 18 -7.042 7.957 4.550 1.00 0.00 N ATOM 287 NH2 ARG A 18 -4.862 8.615 4.828 1.00 0.00 N ATOM 0 H ARG A 18 -7.332 0.937 2.359 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.448 1.497 4.971 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.527 2.354 2.766 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.910 3.426 2.662 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.398 3.573 5.217 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.510 4.090 3.797 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.765 5.420 3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.014 5.252 4.998 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.346 6.204 4.515 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.730 7.222 4.384 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.346 8.924 4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.869 8.389 4.877 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.171 9.580 4.945 1.00 0.00 H new ATOM 301 N GLN A 19 -9.408 2.609 4.231 1.00 0.00 N ATOM 302 CA GLN A 19 -10.591 3.270 4.768 1.00 0.00 C ATOM 303 C GLN A 19 -11.199 2.463 5.912 1.00 0.00 C ATOM 304 O GLN A 19 -11.587 3.021 6.939 1.00 0.00 O ATOM 305 CB GLN A 19 -11.630 3.478 3.663 1.00 0.00 C ATOM 306 CG GLN A 19 -11.695 4.907 3.151 1.00 0.00 C ATOM 307 CD GLN A 19 -11.863 4.980 1.647 1.00 0.00 C ATOM 308 OE1 GLN A 19 -12.190 3.987 0.998 1.00 0.00 O ATOM 309 NE2 GLN A 19 -11.638 6.162 1.083 1.00 0.00 N ATOM 0 H GLN A 19 -9.562 2.119 3.349 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.286 4.241 5.159 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.401 2.813 2.831 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.612 3.191 4.040 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.526 5.424 3.631 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.784 5.433 3.437 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.369 6.959 1.660 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.735 6.272 0.074 1.00 0.00 H new ATOM 318 N ARG A 20 -11.283 1.150 5.728 1.00 0.00 N ATOM 319 CA ARG A 20 -11.849 0.271 6.746 1.00 0.00 C ATOM 320 C ARG A 20 -10.840 0.000 7.859 1.00 0.00 C ATOM 321 O ARG A 20 -11.217 -0.227 9.009 1.00 0.00 O ATOM 322 CB ARG A 20 -12.305 -1.048 6.118 1.00 0.00 C ATOM 323 CG ARG A 20 -11.164 -1.898 5.577 1.00 0.00 C ATOM 324 CD ARG A 20 -11.531 -3.374 5.547 1.00 0.00 C ATOM 325 NE ARG A 20 -10.559 -4.195 6.266 1.00 0.00 N ATOM 326 CZ ARG A 20 -10.546 -4.343 7.589 1.00 0.00 C ATOM 327 NH1 ARG A 20 -11.448 -3.727 8.343 1.00 0.00 N ATOM 328 NH2 ARG A 20 -9.628 -5.110 8.161 1.00 0.00 N ATOM 0 H ARG A 20 -10.967 0.671 4.885 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.713 0.774 7.182 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.853 -1.624 6.864 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.001 -0.832 5.307 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.907 -1.566 4.571 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.278 -1.755 6.196 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.518 -3.511 5.988 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.595 -3.711 4.512 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.848 -4.684 5.722 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.157 -3.136 7.909 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.432 -3.845 9.356 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.932 -5.586 7.587 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.618 -5.224 9.175 1.00 0.00 H new ATOM 342 N CYS A 21 -9.558 0.024 7.510 1.00 0.00 N ATOM 343 CA CYS A 21 -8.497 -0.221 8.481 1.00 0.00 C ATOM 344 C CYS A 21 -7.941 1.088 9.040 1.00 0.00 C ATOM 345 O CYS A 21 -6.884 1.102 9.670 1.00 0.00 O ATOM 346 CB CYS A 21 -7.371 -1.033 7.838 1.00 0.00 C ATOM 347 SG CYS A 21 -6.694 -2.328 8.903 1.00 0.00 S ATOM 0 H CYS A 21 -9.228 0.210 6.563 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.925 -0.788 9.308 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.744 -1.490 6.921 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.567 -0.355 7.552 1.00 0.00 H new ATOM 0 HG CYS A 21 -5.750 -2.960 8.271 1.00 0.00 H new ATOM 353 N ALA A 22 -8.656 2.186 8.807 1.00 0.00 N ATOM 354 CA ALA A 22 -8.226 3.493 9.290 1.00 0.00 C ATOM 355 C ALA A 22 -8.163 3.525 10.815 1.00 0.00 C ATOM 356 O ALA A 22 -7.131 3.864 11.394 1.00 0.00 O ATOM 357 CB ALA A 22 -9.159 4.579 8.773 1.00 0.00 C ATOM 0 H ALA A 22 -9.534 2.196 8.288 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.222 3.681 8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.827 5.550 9.141 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.147 4.581 7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.173 4.385 9.124 1.00 0.00 H new ATOM 363 N PRO A 23 -9.273 3.176 11.489 1.00 0.00 N ATOM 364 CA PRO A 23 -9.344 3.171 12.950 1.00 0.00 C ATOM 365 C PRO A 23 -8.822 1.874 13.563 1.00 0.00 C ATOM 366 O PRO A 23 -9.437 1.317 14.472 1.00 0.00 O ATOM 367 CB PRO A 23 -10.840 3.317 13.206 1.00 0.00 C ATOM 368 CG PRO A 23 -11.485 2.614 12.059 1.00 0.00 C ATOM 369 CD PRO A 23 -10.554 2.766 10.880 1.00 0.00 C ATOM 0 HA PRO A 23 -8.729 3.952 13.397 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.126 2.869 14.158 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.135 4.365 13.246 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.647 1.561 12.291 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.461 3.046 11.840 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.453 1.832 10.328 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.919 3.514 10.176 1.00 0.00 H new ATOM 377 N VAL A 24 -7.684 1.399 13.065 1.00 0.00 N ATOM 378 CA VAL A 24 -7.084 0.170 13.571 1.00 0.00 C ATOM 379 C VAL A 24 -5.661 0.414 14.068 1.00 0.00 C ATOM 380 O VAL A 24 -4.854 -0.512 14.147 1.00 0.00 O ATOM 381 CB VAL A 24 -7.056 -0.930 12.492 1.00 0.00 C ATOM 382 CG1 VAL A 24 -6.669 -2.268 13.102 1.00 0.00 C ATOM 383 CG2 VAL A 24 -8.402 -1.025 11.790 1.00 0.00 C ATOM 0 H VAL A 24 -7.160 1.846 12.313 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.705 -0.163 14.403 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.303 -0.665 11.750 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.655 -3.032 12.325 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.679 -2.190 13.552 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.395 -2.543 13.867 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.362 -1.807 11.032 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.176 -1.265 12.519 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.633 -0.071 11.316 1.00 0.00 H new ATOM 393 N SER A 25 -5.358 1.666 14.401 1.00 0.00 N ATOM 394 CA SER A 25 -4.032 2.027 14.888 1.00 0.00 C ATOM 395 C SER A 25 -3.758 1.397 16.250 1.00 0.00 C ATOM 396 O SER A 25 -2.618 1.060 16.570 1.00 0.00 O ATOM 397 CB SER A 25 -3.898 3.548 14.982 1.00 0.00 C ATOM 398 OG SER A 25 -4.902 4.098 15.817 1.00 0.00 O ATOM 0 H SER A 25 -6.013 2.446 14.342 1.00 0.00 H new ATOM 0 HA SER A 25 -3.298 1.645 14.179 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.914 3.806 15.373 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.970 3.985 13.986 1.00 0.00 H new ATOM 0 HG SER A 25 -4.793 5.071 15.862 1.00 0.00 H new ATOM 404 N GLN A 26 -4.809 1.242 17.047 1.00 0.00 N ATOM 405 CA GLN A 26 -4.679 0.653 18.375 1.00 0.00 C ATOM 406 C GLN A 26 -4.495 -0.859 18.287 1.00 0.00 C ATOM 407 O GLN A 26 -3.850 -1.466 19.142 1.00 0.00 O ATOM 408 CB GLN A 26 -5.909 0.985 19.225 1.00 0.00 C ATOM 409 CG GLN A 26 -5.641 2.027 20.298 1.00 0.00 C ATOM 410 CD GLN A 26 -5.718 3.445 19.766 1.00 0.00 C ATOM 411 OE1 GLN A 26 -6.476 3.733 18.839 1.00 0.00 O ATOM 412 NE2 GLN A 26 -4.932 4.341 20.352 1.00 0.00 N ATOM 0 H GLN A 26 -5.759 1.515 16.797 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.794 1.078 18.849 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.706 1.343 18.573 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.271 0.072 19.698 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.363 1.906 21.105 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.653 1.857 20.726 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.319 4.059 21.117 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.941 5.311 20.037 1.00 0.00 H new ATOM 421 N PHE A 27 -5.063 -1.462 17.247 1.00 0.00 N ATOM 422 CA PHE A 27 -4.958 -2.904 17.049 1.00 0.00 C ATOM 423 C PHE A 27 -4.071 -3.227 15.850 1.00 0.00 C ATOM 424 O PHE A 27 -4.218 -4.276 15.223 1.00 0.00 O ATOM 425 CB PHE A 27 -6.347 -3.517 16.855 1.00 0.00 C ATOM 426 CG PHE A 27 -6.788 -4.376 18.006 1.00 0.00 C ATOM 427 CD1 PHE A 27 -6.222 -5.624 18.212 1.00 0.00 C ATOM 428 CD2 PHE A 27 -7.767 -3.934 18.881 1.00 0.00 C ATOM 429 CE1 PHE A 27 -6.626 -6.416 19.270 1.00 0.00 C ATOM 430 CE2 PHE A 27 -8.175 -4.722 19.940 1.00 0.00 C ATOM 431 CZ PHE A 27 -7.603 -5.965 20.135 1.00 0.00 C ATOM 0 H PHE A 27 -5.600 -0.975 16.529 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.501 -3.335 17.940 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.072 -2.716 16.711 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.348 -4.115 15.944 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.457 -5.981 17.539 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.216 -2.963 18.734 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.178 -7.387 19.420 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.940 -4.367 20.615 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.920 -6.582 20.963 1.00 0.00 H new ATOM 441 N ALA A 28 -3.152 -2.319 15.535 1.00 0.00 N ATOM 442 CA ALA A 28 -2.244 -2.509 14.411 1.00 0.00 C ATOM 443 C ALA A 28 -1.008 -3.298 14.828 1.00 0.00 C ATOM 444 O ALA A 28 -0.334 -2.948 15.797 1.00 0.00 O ATOM 445 CB ALA A 28 -1.839 -1.164 13.828 1.00 0.00 C ATOM 0 H ALA A 28 -3.017 -1.445 16.043 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.768 -3.083 13.647 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.161 -1.320 12.989 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.727 -0.635 13.483 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.338 -0.571 14.594 1.00 0.00 H new ATOM 451 N THR A 29 -0.715 -4.364 14.090 1.00 0.00 N ATOM 452 CA THR A 29 0.441 -5.203 14.382 1.00 0.00 C ATOM 453 C THR A 29 1.001 -5.819 13.104 1.00 0.00 C ATOM 454 O THR A 29 0.278 -6.468 12.348 1.00 0.00 O ATOM 455 CB THR A 29 0.061 -6.306 15.371 1.00 0.00 C ATOM 456 OG1 THR A 29 1.183 -7.116 15.673 1.00 0.00 O ATOM 457 CG2 THR A 29 -1.037 -7.213 14.862 1.00 0.00 C ATOM 0 H THR A 29 -1.263 -4.667 13.285 1.00 0.00 H new ATOM 0 HA THR A 29 1.211 -4.575 14.829 1.00 0.00 H new ATOM 0 HB THR A 29 -0.302 -5.787 16.258 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.921 -7.815 16.308 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.258 -7.973 15.612 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.933 -6.625 14.666 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.712 -7.696 13.941 1.00 0.00 H new ATOM 465 N LEU A 30 2.292 -5.610 12.868 1.00 0.00 N ATOM 466 CA LEU A 30 2.948 -6.144 11.680 1.00 0.00 C ATOM 467 C LEU A 30 3.678 -7.446 11.997 1.00 0.00 C ATOM 468 O LEU A 30 4.367 -7.552 13.012 1.00 0.00 O ATOM 469 CB LEU A 30 3.933 -5.119 11.113 1.00 0.00 C ATOM 470 CG LEU A 30 3.362 -4.203 10.029 1.00 0.00 C ATOM 471 CD1 LEU A 30 4.381 -3.147 9.631 1.00 0.00 C ATOM 472 CD2 LEU A 30 2.935 -5.017 8.817 1.00 0.00 C ATOM 0 H LEU A 30 2.905 -5.075 13.483 1.00 0.00 H new ATOM 0 HA LEU A 30 2.180 -6.353 10.935 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.302 -4.501 11.932 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.791 -5.651 10.703 1.00 0.00 H new ATOM 0 HG LEU A 30 2.484 -3.697 10.432 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.957 -2.505 8.859 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.640 -2.545 10.502 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.278 -3.633 9.246 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.531 -4.350 8.055 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.797 -5.549 8.414 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.171 -5.736 9.112 1.00 0.00 H new ATOM 484 N SER A 31 3.522 -8.433 11.122 1.00 0.00 N ATOM 485 CA SER A 31 4.167 -9.727 11.306 1.00 0.00 C ATOM 486 C SER A 31 5.685 -9.581 11.311 1.00 0.00 C ATOM 487 O SER A 31 6.213 -8.491 11.095 1.00 0.00 O ATOM 488 CB SER A 31 3.740 -10.695 10.202 1.00 0.00 C ATOM 489 OG SER A 31 3.954 -10.132 8.919 1.00 0.00 O ATOM 0 H SER A 31 2.954 -8.361 10.278 1.00 0.00 H new ATOM 0 HA SER A 31 3.855 -10.127 12.271 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.301 -11.625 10.293 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.686 -10.946 10.321 1.00 0.00 H new ATOM 0 HG SER A 31 3.675 -10.771 8.231 1.00 0.00 H new ATOM 495 N ALA A 32 6.380 -10.686 11.558 1.00 0.00 N ATOM 496 CA ALA A 32 7.838 -10.680 11.591 1.00 0.00 C ATOM 497 C ALA A 32 8.432 -10.880 10.196 1.00 0.00 C ATOM 498 O ALA A 32 9.652 -10.936 10.037 1.00 0.00 O ATOM 499 CB ALA A 32 8.345 -11.755 12.543 1.00 0.00 C ATOM 0 H ALA A 32 5.958 -11.597 11.738 1.00 0.00 H new ATOM 0 HA ALA A 32 8.161 -9.703 11.951 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.435 -11.742 12.560 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.964 -11.562 13.546 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.999 -12.732 12.206 1.00 0.00 H new ATOM 505 N ARG A 33 7.569 -10.985 9.188 1.00 0.00 N ATOM 506 CA ARG A 33 8.019 -11.177 7.814 1.00 0.00 C ATOM 507 C ARG A 33 8.069 -9.849 7.062 1.00 0.00 C ATOM 508 O ARG A 33 8.036 -9.823 5.831 1.00 0.00 O ATOM 509 CB ARG A 33 7.096 -12.154 7.085 1.00 0.00 C ATOM 510 CG ARG A 33 7.444 -13.614 7.323 1.00 0.00 C ATOM 511 CD ARG A 33 7.236 -14.008 8.776 1.00 0.00 C ATOM 512 NE ARG A 33 7.380 -15.447 8.980 1.00 0.00 N ATOM 513 CZ ARG A 33 6.432 -16.336 8.689 1.00 0.00 C ATOM 514 NH1 ARG A 33 5.271 -15.937 8.183 1.00 0.00 N ATOM 515 NH2 ARG A 33 6.645 -17.627 8.905 1.00 0.00 N ATOM 0 H ARG A 33 6.556 -10.940 9.298 1.00 0.00 H new ATOM 0 HA ARG A 33 9.026 -11.592 7.845 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.069 -11.977 7.405 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.137 -11.949 6.015 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.828 -14.245 6.682 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.482 -13.792 7.042 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.956 -13.480 9.401 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.243 -13.694 9.098 1.00 0.00 H new ATOM 0 HE ARG A 33 8.258 -15.791 9.368 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.102 -14.945 8.015 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.549 -16.622 7.962 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.535 -17.939 9.294 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.919 -18.308 8.682 1.00 0.00 H new ATOM 529 N PHE A 34 8.148 -8.749 7.806 1.00 0.00 N ATOM 530 CA PHE A 34 8.202 -7.425 7.208 1.00 0.00 C ATOM 531 C PHE A 34 9.453 -7.262 6.351 1.00 0.00 C ATOM 532 O PHE A 34 10.493 -7.855 6.634 1.00 0.00 O ATOM 533 CB PHE A 34 8.177 -6.360 8.304 1.00 0.00 C ATOM 534 CG PHE A 34 9.272 -6.517 9.321 1.00 0.00 C ATOM 535 CD1 PHE A 34 10.593 -6.275 8.979 1.00 0.00 C ATOM 536 CD2 PHE A 34 8.980 -6.906 10.618 1.00 0.00 C ATOM 537 CE1 PHE A 34 11.602 -6.418 9.912 1.00 0.00 C ATOM 538 CE2 PHE A 34 9.985 -7.051 11.556 1.00 0.00 C ATOM 539 CZ PHE A 34 11.298 -6.806 11.202 1.00 0.00 C ATOM 0 H PHE A 34 8.176 -8.752 8.826 1.00 0.00 H new ATOM 0 HA PHE A 34 7.331 -7.303 6.564 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.258 -5.375 7.844 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.213 -6.396 8.812 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.837 -5.971 7.972 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.955 -7.098 10.900 1.00 0.00 H new ATOM 0 HE1 PHE A 34 12.628 -6.227 9.633 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.744 -7.355 12.564 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.085 -6.918 11.933 1.00 0.00 H new ATOM 549 N ASP A 35 9.344 -6.452 5.303 1.00 0.00 N ATOM 550 CA ASP A 35 10.466 -6.209 4.404 1.00 0.00 C ATOM 551 C ASP A 35 10.805 -4.723 4.350 1.00 0.00 C ATOM 552 O ASP A 35 9.951 -3.892 4.041 1.00 0.00 O ATOM 553 CB ASP A 35 10.145 -6.723 3.000 1.00 0.00 C ATOM 554 CG ASP A 35 11.372 -7.256 2.285 1.00 0.00 C ATOM 555 OD1 ASP A 35 11.842 -8.354 2.650 1.00 0.00 O ATOM 556 OD2 ASP A 35 11.863 -6.574 1.361 1.00 0.00 O ATOM 0 H ASP A 35 8.490 -5.953 5.055 1.00 0.00 H new ATOM 0 HA ASP A 35 11.332 -6.748 4.789 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.396 -7.512 3.067 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.707 -5.916 2.412 1.00 0.00 H new ATOM 561 N ARG A 36 12.057 -4.396 4.653 1.00 0.00 N ATOM 562 CA ARG A 36 12.510 -3.010 4.641 1.00 0.00 C ATOM 563 C ARG A 36 12.424 -2.417 3.238 1.00 0.00 C ATOM 564 O ARG A 36 12.267 -1.207 3.075 1.00 0.00 O ATOM 565 CB ARG A 36 13.947 -2.919 5.158 1.00 0.00 C ATOM 566 CG ARG A 36 14.073 -3.165 6.653 1.00 0.00 C ATOM 567 CD ARG A 36 13.777 -1.906 7.451 1.00 0.00 C ATOM 568 NE ARG A 36 13.376 -2.210 8.823 1.00 0.00 N ATOM 569 CZ ARG A 36 14.231 -2.525 9.793 1.00 0.00 C ATOM 570 NH1 ARG A 36 15.534 -2.579 9.548 1.00 0.00 N ATOM 571 NH2 ARG A 36 13.781 -2.788 11.013 1.00 0.00 N ATOM 0 H ARG A 36 12.776 -5.072 4.910 1.00 0.00 H new ATOM 0 HA ARG A 36 11.856 -2.436 5.297 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.562 -3.644 4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.346 -1.932 4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.386 -3.957 6.952 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.080 -3.514 6.882 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.661 -1.269 7.464 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.985 -1.342 6.958 1.00 0.00 H new ATOM 0 HE ARG A 36 12.382 -2.179 9.051 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.886 -2.378 8.612 1.00 0.00 H new ATOM 0 HH12 ARG A 36 16.184 -2.821 10.296 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.780 -2.749 11.207 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.436 -3.030 11.757 1.00 0.00 H new ATOM 585 N HIS A 37 12.530 -3.275 2.228 1.00 0.00 N ATOM 586 CA HIS A 37 12.465 -2.831 0.840 1.00 0.00 C ATOM 587 C HIS A 37 11.019 -2.653 0.389 1.00 0.00 C ATOM 588 O HIS A 37 10.710 -1.760 -0.400 1.00 0.00 O ATOM 589 CB HIS A 37 13.177 -3.835 -0.071 1.00 0.00 C ATOM 590 CG HIS A 37 14.560 -3.415 -0.458 1.00 0.00 C ATOM 591 ND1 HIS A 37 15.345 -2.592 0.323 1.00 0.00 N ATOM 592 CD2 HIS A 37 15.302 -3.709 -1.553 1.00 0.00 C ATOM 593 CE1 HIS A 37 16.507 -2.398 -0.275 1.00 0.00 C ATOM 594 NE2 HIS A 37 16.506 -3.065 -1.414 1.00 0.00 N ATOM 0 H HIS A 37 12.661 -4.280 2.344 1.00 0.00 H new ATOM 0 HA HIS A 37 12.967 -1.866 0.770 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.227 -4.800 0.434 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.584 -3.978 -0.974 1.00 0.00 H new ATOM 0 HD2 HIS A 37 15.002 -4.334 -2.381 1.00 0.00 H new ATOM 0 HE1 HIS A 37 17.320 -1.796 0.104 1.00 0.00 H new ATOM 0 HE2 HIS A 37 17.276 -3.097 -2.083 1.00 0.00 H new ATOM 603 N LEU A 38 10.136 -3.509 0.893 1.00 0.00 N ATOM 604 CA LEU A 38 8.722 -3.445 0.539 1.00 0.00 C ATOM 605 C LEU A 38 8.001 -2.382 1.360 1.00 0.00 C ATOM 606 O LEU A 38 7.041 -1.769 0.893 1.00 0.00 O ATOM 607 CB LEU A 38 8.059 -4.807 0.754 1.00 0.00 C ATOM 608 CG LEU A 38 8.729 -5.975 0.028 1.00 0.00 C ATOM 609 CD1 LEU A 38 8.034 -7.284 0.368 1.00 0.00 C ATOM 610 CD2 LEU A 38 8.723 -5.741 -1.475 1.00 0.00 C ATOM 0 H LEU A 38 10.374 -4.255 1.547 1.00 0.00 H new ATOM 0 HA LEU A 38 8.650 -3.174 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.045 -5.023 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.021 -4.744 0.428 1.00 0.00 H new ATOM 0 HG LEU A 38 9.765 -6.040 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.524 -8.103 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.090 -7.457 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.989 -7.231 0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.203 -6.581 -1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.695 -5.650 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.267 -4.824 -1.703 1.00 0.00 H new ATOM 622 N PHE A 39 8.468 -2.167 2.585 1.00 0.00 N ATOM 623 CA PHE A 39 7.866 -1.177 3.470 1.00 0.00 C ATOM 624 C PHE A 39 8.846 -0.048 3.770 1.00 0.00 C ATOM 625 O PHE A 39 10.056 -0.200 3.597 1.00 0.00 O ATOM 626 CB PHE A 39 7.412 -1.837 4.773 1.00 0.00 C ATOM 627 CG PHE A 39 6.195 -2.704 4.616 1.00 0.00 C ATOM 628 CD1 PHE A 39 4.928 -2.143 4.580 1.00 0.00 C ATOM 629 CD2 PHE A 39 6.319 -4.079 4.503 1.00 0.00 C ATOM 630 CE1 PHE A 39 3.807 -2.938 4.434 1.00 0.00 C ATOM 631 CE2 PHE A 39 5.201 -4.879 4.358 1.00 0.00 C ATOM 632 CZ PHE A 39 3.944 -4.308 4.324 1.00 0.00 C ATOM 0 H PHE A 39 9.262 -2.665 2.988 1.00 0.00 H new ATOM 0 HA PHE A 39 6.998 -0.754 2.965 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.229 -2.440 5.169 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.203 -1.061 5.510 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.816 -1.072 4.667 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.300 -4.531 4.528 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.825 -2.489 4.406 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.310 -5.950 4.271 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.069 -4.932 4.212 1.00 0.00 H new ATOM 642 N GLN A 40 8.316 1.084 4.219 1.00 0.00 N ATOM 643 CA GLN A 40 9.144 2.240 4.542 1.00 0.00 C ATOM 644 C GLN A 40 9.680 2.145 5.968 1.00 0.00 C ATOM 645 O GLN A 40 9.271 1.278 6.739 1.00 0.00 O ATOM 646 CB GLN A 40 8.342 3.533 4.367 1.00 0.00 C ATOM 647 CG GLN A 40 8.783 4.364 3.173 1.00 0.00 C ATOM 648 CD GLN A 40 9.582 5.588 3.577 1.00 0.00 C ATOM 649 OE1 GLN A 40 9.887 5.784 4.754 1.00 0.00 O ATOM 650 NE2 GLN A 40 9.924 6.420 2.601 1.00 0.00 N ATOM 0 H GLN A 40 7.317 1.226 4.368 1.00 0.00 H new ATOM 0 HA GLN A 40 9.992 2.252 3.857 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.287 3.284 4.256 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.435 4.134 5.272 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.385 3.746 2.507 1.00 0.00 H new ATOM 0 HG3 GLN A 40 7.905 4.678 2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.650 6.218 1.639 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.461 7.261 2.813 1.00 0.00 H new ATOM 659 N THR A 41 10.599 3.043 6.309 1.00 0.00 N ATOM 660 CA THR A 41 11.193 3.062 7.641 1.00 0.00 C ATOM 661 C THR A 41 10.145 3.368 8.707 1.00 0.00 C ATOM 662 O THR A 41 10.317 3.023 9.876 1.00 0.00 O ATOM 663 CB THR A 41 12.318 4.097 7.705 1.00 0.00 C ATOM 664 OG1 THR A 41 12.801 4.231 9.029 1.00 0.00 O ATOM 665 CG2 THR A 41 11.895 5.470 7.229 1.00 0.00 C ATOM 0 H THR A 41 10.948 3.767 5.681 1.00 0.00 H new ATOM 0 HA THR A 41 11.604 2.072 7.839 1.00 0.00 H new ATOM 0 HB THR A 41 13.094 3.722 7.038 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.521 4.896 9.049 1.00 0.00 H new ATOM 0 HG21 THR A 41 12.739 6.156 7.300 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.563 5.410 6.193 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.078 5.835 7.851 1.00 0.00 H new ATOM 673 N ARG A 42 9.059 4.018 8.299 1.00 0.00 N ATOM 674 CA ARG A 42 7.986 4.368 9.224 1.00 0.00 C ATOM 675 C ARG A 42 6.884 3.310 9.218 1.00 0.00 C ATOM 676 O ARG A 42 5.748 3.585 9.603 1.00 0.00 O ATOM 677 CB ARG A 42 7.402 5.735 8.861 1.00 0.00 C ATOM 678 CG ARG A 42 7.235 6.661 10.055 1.00 0.00 C ATOM 679 CD ARG A 42 5.818 6.615 10.603 1.00 0.00 C ATOM 680 NE ARG A 42 5.755 7.053 11.995 1.00 0.00 N ATOM 681 CZ ARG A 42 6.303 6.386 13.007 1.00 0.00 C ATOM 682 NH1 ARG A 42 6.956 5.251 12.788 1.00 0.00 N ATOM 683 NH2 ARG A 42 6.199 6.855 14.243 1.00 0.00 N ATOM 0 H ARG A 42 8.899 4.313 7.336 1.00 0.00 H new ATOM 0 HA ARG A 42 8.408 4.413 10.228 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.050 6.215 8.127 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.432 5.592 8.384 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.938 6.377 10.838 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.480 7.682 9.762 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.173 7.249 9.994 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.432 5.599 10.525 1.00 0.00 H new ATOM 0 HE ARG A 42 5.262 7.921 12.203 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.040 4.886 11.839 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.374 4.744 13.568 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.699 7.727 14.417 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.619 6.344 15.019 1.00 0.00 H new ATOM 697 N ALA A 43 7.224 2.101 8.779 1.00 0.00 N ATOM 698 CA ALA A 43 6.260 1.010 8.726 1.00 0.00 C ATOM 699 C ALA A 43 6.521 -0.008 9.830 1.00 0.00 C ATOM 700 O ALA A 43 7.262 -0.972 9.637 1.00 0.00 O ATOM 701 CB ALA A 43 6.301 0.336 7.364 1.00 0.00 C ATOM 0 H ALA A 43 8.159 1.854 8.456 1.00 0.00 H new ATOM 0 HA ALA A 43 5.266 1.429 8.882 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.576 -0.477 7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.057 1.064 6.590 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.300 -0.063 7.185 1.00 0.00 H new ATOM 707 N THR A 44 5.906 0.210 10.988 1.00 0.00 N ATOM 708 CA THR A 44 6.070 -0.689 12.123 1.00 0.00 C ATOM 709 C THR A 44 4.786 -1.467 12.391 1.00 0.00 C ATOM 710 O THR A 44 4.820 -2.574 12.928 1.00 0.00 O ATOM 711 CB THR A 44 6.472 0.099 13.371 1.00 0.00 C ATOM 712 OG1 THR A 44 6.539 -0.753 14.501 1.00 0.00 O ATOM 713 CG2 THR A 44 5.516 1.224 13.702 1.00 0.00 C ATOM 0 H THR A 44 5.289 1.003 11.164 1.00 0.00 H new ATOM 0 HA THR A 44 6.860 -1.399 11.880 1.00 0.00 H new ATOM 0 HB THR A 44 7.447 0.528 13.140 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.799 -0.231 15.289 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.860 1.742 14.597 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.478 1.926 12.869 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.521 0.816 13.878 1.00 0.00 H new ATOM 721 N THR A 45 3.653 -0.881 12.013 1.00 0.00 N ATOM 722 CA THR A 45 2.359 -1.522 12.214 1.00 0.00 C ATOM 723 C THR A 45 1.461 -1.333 10.994 1.00 0.00 C ATOM 724 O THR A 45 1.847 -0.688 10.020 1.00 0.00 O ATOM 725 CB THR A 45 1.674 -0.956 13.458 1.00 0.00 C ATOM 726 OG1 THR A 45 1.491 0.444 13.337 1.00 0.00 O ATOM 727 CG2 THR A 45 2.447 -1.209 14.735 1.00 0.00 C ATOM 0 H THR A 45 3.606 0.035 11.567 1.00 0.00 H new ATOM 0 HA THR A 45 2.529 -2.589 12.355 1.00 0.00 H new ATOM 0 HB THR A 45 0.718 -1.475 13.522 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.979 0.775 14.105 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.905 -0.782 15.579 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.562 -2.283 14.884 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.431 -0.745 14.663 1.00 0.00 H new ATOM 735 N LEU A 46 0.261 -1.902 11.058 1.00 0.00 N ATOM 736 CA LEU A 46 -0.696 -1.801 9.961 1.00 0.00 C ATOM 737 C LEU A 46 -1.017 -0.342 9.647 1.00 0.00 C ATOM 738 O LEU A 46 -1.001 0.072 8.488 1.00 0.00 O ATOM 739 CB LEU A 46 -1.981 -2.555 10.307 1.00 0.00 C ATOM 740 CG LEU A 46 -1.786 -4.020 10.701 1.00 0.00 C ATOM 741 CD1 LEU A 46 -3.024 -4.551 11.408 1.00 0.00 C ATOM 742 CD2 LEU A 46 -1.468 -4.862 9.475 1.00 0.00 C ATOM 0 H LEU A 46 -0.072 -2.438 11.859 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.244 -2.251 9.077 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.478 -2.037 11.127 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.652 -2.512 9.449 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.944 -4.083 11.390 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.868 -5.595 11.681 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.209 -3.964 12.308 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.884 -4.475 10.742 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.332 -5.902 9.773 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.290 -4.793 8.763 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.553 -4.496 9.009 1.00 0.00 H new ATOM 754 N GLN A 47 -1.309 0.433 10.686 1.00 0.00 N ATOM 755 CA GLN A 47 -1.634 1.844 10.520 1.00 0.00 C ATOM 756 C GLN A 47 -0.433 2.618 9.986 1.00 0.00 C ATOM 757 O GLN A 47 -0.587 3.601 9.262 1.00 0.00 O ATOM 758 CB GLN A 47 -2.094 2.445 11.850 1.00 0.00 C ATOM 759 CG GLN A 47 -1.005 2.481 12.910 1.00 0.00 C ATOM 760 CD GLN A 47 -0.336 3.838 13.013 1.00 0.00 C ATOM 761 OE1 GLN A 47 -0.261 4.582 12.035 1.00 0.00 O ATOM 762 NE2 GLN A 47 0.157 4.166 14.202 1.00 0.00 N ATOM 0 H GLN A 47 -1.327 0.107 11.652 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.445 1.922 9.796 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.454 3.459 11.676 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.938 1.868 12.227 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.435 2.218 13.876 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.253 1.726 12.679 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.072 3.518 14.985 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.620 5.066 14.332 1.00 0.00 H new ATOM 771 N ALA A 48 0.764 2.166 10.348 1.00 0.00 N ATOM 772 CA ALA A 48 1.992 2.814 9.905 1.00 0.00 C ATOM 773 C ALA A 48 2.224 2.590 8.416 1.00 0.00 C ATOM 774 O ALA A 48 2.409 3.541 7.656 1.00 0.00 O ATOM 775 CB ALA A 48 3.178 2.301 10.708 1.00 0.00 C ATOM 0 H ALA A 48 0.909 1.353 10.947 1.00 0.00 H new ATOM 0 HA ALA A 48 1.889 3.886 10.073 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.089 2.793 10.367 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.023 2.517 11.765 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.274 1.224 10.568 1.00 0.00 H new ATOM 781 N CYS A 49 2.212 1.326 8.003 1.00 0.00 N ATOM 782 CA CYS A 49 2.420 0.979 6.602 1.00 0.00 C ATOM 783 C CYS A 49 1.318 1.569 5.730 1.00 0.00 C ATOM 784 O CYS A 49 1.574 2.038 4.621 1.00 0.00 O ATOM 785 CB CYS A 49 2.467 -0.541 6.430 1.00 0.00 C ATOM 786 SG CYS A 49 0.920 -1.380 6.843 1.00 0.00 S ATOM 0 H CYS A 49 2.061 0.526 8.618 1.00 0.00 H new ATOM 0 HA CYS A 49 3.375 1.400 6.286 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.728 -0.771 5.397 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.264 -0.942 7.057 1.00 0.00 H new ATOM 0 HG CYS A 49 0.185 -0.598 7.577 1.00 0.00 H new ATOM 792 N LEU A 50 0.090 1.545 6.239 1.00 0.00 N ATOM 793 CA LEU A 50 -1.051 2.081 5.507 1.00 0.00 C ATOM 794 C LEU A 50 -0.880 3.576 5.263 1.00 0.00 C ATOM 795 O LEU A 50 -1.105 4.065 4.156 1.00 0.00 O ATOM 796 CB LEU A 50 -2.348 1.819 6.277 1.00 0.00 C ATOM 797 CG LEU A 50 -3.140 0.596 5.811 1.00 0.00 C ATOM 798 CD1 LEU A 50 -4.344 0.368 6.710 1.00 0.00 C ATOM 799 CD2 LEU A 50 -3.577 0.766 4.363 1.00 0.00 C ATOM 0 H LEU A 50 -0.140 1.160 7.155 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.105 1.577 4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.108 1.697 7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.986 2.699 6.195 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.494 -0.280 5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.896 -0.506 6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.008 0.203 7.734 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.993 1.243 6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.139 -0.113 4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.207 1.651 4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.698 0.882 3.729 1.00 0.00 H new ATOM 811 N ASP A 51 -0.475 4.298 6.304 1.00 0.00 N ATOM 812 CA ASP A 51 -0.269 5.737 6.200 1.00 0.00 C ATOM 813 C ASP A 51 0.810 6.052 5.169 1.00 0.00 C ATOM 814 O ASP A 51 0.664 6.972 4.364 1.00 0.00 O ATOM 815 CB ASP A 51 0.120 6.318 7.561 1.00 0.00 C ATOM 816 CG ASP A 51 -1.060 6.934 8.285 1.00 0.00 C ATOM 817 OD1 ASP A 51 -1.553 7.987 7.829 1.00 0.00 O ATOM 818 OD2 ASP A 51 -1.492 6.363 9.309 1.00 0.00 O ATOM 0 H ASP A 51 -0.284 3.910 7.228 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.204 6.194 5.875 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.551 5.531 8.179 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.893 7.074 7.423 1.00 0.00 H new ATOM 823 N GLU A 52 1.891 5.280 5.199 1.00 0.00 N ATOM 824 CA GLU A 52 2.993 5.473 4.265 1.00 0.00 C ATOM 825 C GLU A 52 2.521 5.285 2.827 1.00 0.00 C ATOM 826 O GLU A 52 2.945 6.005 1.924 1.00 0.00 O ATOM 827 CB GLU A 52 4.131 4.497 4.575 1.00 0.00 C ATOM 828 CG GLU A 52 5.225 5.096 5.443 1.00 0.00 C ATOM 829 CD GLU A 52 6.081 6.098 4.692 1.00 0.00 C ATOM 830 OE1 GLU A 52 6.238 5.941 3.462 1.00 0.00 O ATOM 831 OE2 GLU A 52 6.594 7.039 5.332 1.00 0.00 O ATOM 0 H GLU A 52 2.027 4.515 5.860 1.00 0.00 H new ATOM 0 HA GLU A 52 3.361 6.493 4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.720 3.620 5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.569 4.153 3.638 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.773 5.585 6.306 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.859 4.296 5.826 1.00 0.00 H new ATOM 838 N ALA A 53 1.636 4.314 2.624 1.00 0.00 N ATOM 839 CA ALA A 53 1.101 4.033 1.298 1.00 0.00 C ATOM 840 C ALA A 53 0.291 5.215 0.776 1.00 0.00 C ATOM 841 O ALA A 53 0.427 5.612 -0.381 1.00 0.00 O ATOM 842 CB ALA A 53 0.247 2.772 1.328 1.00 0.00 C ATOM 0 H ALA A 53 1.275 3.709 3.361 1.00 0.00 H new ATOM 0 HA ALA A 53 1.938 3.871 0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.146 2.575 0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.856 1.928 1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.581 2.910 2.023 1.00 0.00 H new ATOM 848 N GLY A 54 -0.550 5.775 1.640 1.00 0.00 N ATOM 849 CA GLY A 54 -1.366 6.909 1.250 1.00 0.00 C ATOM 850 C GLY A 54 -0.530 8.107 0.847 1.00 0.00 C ATOM 851 O GLY A 54 -0.871 8.824 -0.094 1.00 0.00 O ATOM 0 H GLY A 54 -0.680 5.464 2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.010 6.622 0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.019 7.186 2.078 1.00 0.00 H new ATOM 855 N ASP A 55 0.571 8.322 1.560 1.00 0.00 N ATOM 856 CA ASP A 55 1.463 9.438 1.271 1.00 0.00 C ATOM 857 C ASP A 55 2.246 9.183 -0.012 1.00 0.00 C ATOM 858 O ASP A 55 2.555 10.111 -0.759 1.00 0.00 O ATOM 859 CB ASP A 55 2.427 9.665 2.437 1.00 0.00 C ATOM 860 CG ASP A 55 2.606 11.136 2.760 1.00 0.00 C ATOM 861 OD1 ASP A 55 1.601 11.798 3.091 1.00 0.00 O ATOM 862 OD2 ASP A 55 3.753 11.626 2.680 1.00 0.00 O ATOM 0 H ASP A 55 0.866 7.738 2.342 1.00 0.00 H new ATOM 0 HA ASP A 55 0.856 10.333 1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.055 9.145 3.319 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.396 9.228 2.194 1.00 0.00 H new ATOM 867 N ASN A 56 2.561 7.916 -0.262 1.00 0.00 N ATOM 868 CA ASN A 56 3.305 7.534 -1.456 1.00 0.00 C ATOM 869 C ASN A 56 2.502 7.848 -2.714 1.00 0.00 C ATOM 870 O ASN A 56 2.981 8.539 -3.614 1.00 0.00 O ATOM 871 CB ASN A 56 3.653 6.044 -1.412 1.00 0.00 C ATOM 872 CG ASN A 56 5.130 5.802 -1.167 1.00 0.00 C ATOM 873 OD1 ASN A 56 5.985 6.400 -1.820 1.00 0.00 O ATOM 874 ND2 ASN A 56 5.436 4.920 -0.222 1.00 0.00 N ATOM 0 H ASN A 56 2.312 7.136 0.347 1.00 0.00 H new ATOM 0 HA ASN A 56 4.229 8.111 -1.482 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.073 5.561 -0.625 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.363 5.578 -2.354 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.413 4.715 -0.013 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.694 4.448 0.294 1.00 0.00 H new ATOM 881 N LEU A 57 1.276 7.337 -2.769 1.00 0.00 N ATOM 882 CA LEU A 57 0.404 7.565 -3.914 1.00 0.00 C ATOM 883 C LEU A 57 0.064 9.046 -4.049 1.00 0.00 C ATOM 884 O LEU A 57 -0.060 9.567 -5.157 1.00 0.00 O ATOM 885 CB LEU A 57 -0.881 6.745 -3.777 1.00 0.00 C ATOM 886 CG LEU A 57 -1.651 6.962 -2.473 1.00 0.00 C ATOM 887 CD1 LEU A 57 -2.688 8.062 -2.644 1.00 0.00 C ATOM 888 CD2 LEU A 57 -2.313 5.668 -2.023 1.00 0.00 C ATOM 0 H LEU A 57 0.865 6.762 -2.033 1.00 0.00 H new ATOM 0 HA LEU A 57 0.934 7.247 -4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.538 6.985 -4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.630 5.688 -3.861 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.945 7.272 -1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.227 8.203 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.190 8.992 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.391 7.780 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.856 5.841 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.007 5.328 -2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.550 4.906 -1.861 1.00 0.00 H new ATOM 900 N ALA A 58 -0.083 9.719 -2.912 1.00 0.00 N ATOM 901 CA ALA A 58 -0.405 11.140 -2.903 1.00 0.00 C ATOM 902 C ALA A 58 0.702 11.953 -3.563 1.00 0.00 C ATOM 903 O ALA A 58 0.455 12.714 -4.499 1.00 0.00 O ATOM 904 CB ALA A 58 -0.638 11.620 -1.478 1.00 0.00 C ATOM 0 H ALA A 58 0.016 9.303 -1.986 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.321 11.286 -3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.878 12.683 -1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.467 11.065 -1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.263 11.456 -0.887 1.00 0.00 H new ATOM 910 N ALA A 59 1.926 11.784 -3.072 1.00 0.00 N ATOM 911 CA ALA A 59 3.073 12.498 -3.618 1.00 0.00 C ATOM 912 C ALA A 59 3.321 12.100 -5.069 1.00 0.00 C ATOM 913 O ALA A 59 3.794 12.904 -5.872 1.00 0.00 O ATOM 914 CB ALA A 59 4.311 12.232 -2.775 1.00 0.00 C ATOM 0 H ALA A 59 2.148 11.159 -2.297 1.00 0.00 H new ATOM 0 HA ALA A 59 2.855 13.566 -3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.160 12.772 -3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.135 12.570 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.526 11.163 -2.772 1.00 0.00 H new ATOM 920 N LEU A 60 2.993 10.854 -5.398 1.00 0.00 N ATOM 921 CA LEU A 60 3.175 10.348 -6.752 1.00 0.00 C ATOM 922 C LEU A 60 2.234 11.054 -7.722 1.00 0.00 C ATOM 923 O LEU A 60 2.613 11.379 -8.847 1.00 0.00 O ATOM 924 CB LEU A 60 2.931 8.837 -6.790 1.00 0.00 C ATOM 925 CG LEU A 60 2.998 8.203 -8.181 1.00 0.00 C ATOM 926 CD1 LEU A 60 3.585 6.802 -8.101 1.00 0.00 C ATOM 927 CD2 LEU A 60 1.616 8.167 -8.817 1.00 0.00 C ATOM 0 H LEU A 60 2.600 10.177 -4.744 1.00 0.00 H new ATOM 0 HA LEU A 60 4.202 10.549 -7.058 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.667 8.350 -6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.950 8.632 -6.361 1.00 0.00 H new ATOM 0 HG LEU A 60 3.649 8.813 -8.807 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.625 6.367 -9.099 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.592 6.853 -7.687 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.959 6.181 -7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.682 7.713 -9.806 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.943 7.580 -8.192 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.231 9.183 -8.909 1.00 0.00 H new ATOM 939 N ARG A 61 1.004 11.291 -7.276 1.00 0.00 N ATOM 940 CA ARG A 61 0.007 11.962 -8.101 1.00 0.00 C ATOM 941 C ARG A 61 0.374 13.428 -8.304 1.00 0.00 C ATOM 942 O ARG A 61 0.152 13.992 -9.374 1.00 0.00 O ATOM 943 CB ARG A 61 -1.377 11.851 -7.455 1.00 0.00 C ATOM 944 CG ARG A 61 -2.287 10.841 -8.138 1.00 0.00 C ATOM 945 CD ARG A 61 -3.518 11.506 -8.738 1.00 0.00 C ATOM 946 NE ARG A 61 -4.742 11.122 -8.039 1.00 0.00 N ATOM 947 CZ ARG A 61 -5.883 11.804 -8.113 1.00 0.00 C ATOM 948 NH1 ARG A 61 -5.960 12.904 -8.852 1.00 0.00 N ATOM 949 NH2 ARG A 61 -6.950 11.384 -7.447 1.00 0.00 N ATOM 0 H ARG A 61 0.674 11.028 -6.347 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.017 11.473 -9.075 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.259 11.572 -6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.857 12.830 -7.472 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.734 10.325 -8.923 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.597 10.085 -7.417 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.401 12.589 -8.697 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.601 11.234 -9.790 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.721 10.282 -7.460 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.142 13.231 -9.367 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.837 13.422 -8.905 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.896 10.539 -6.878 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.824 11.906 -7.503 1.00 0.00 H new ATOM 963 N HIS A 62 0.939 14.039 -7.268 1.00 0.00 N ATOM 964 CA HIS A 62 1.341 15.439 -7.329 1.00 0.00 C ATOM 965 C HIS A 62 2.640 15.600 -8.114 1.00 0.00 C ATOM 966 O HIS A 62 2.894 16.649 -8.705 1.00 0.00 O ATOM 967 CB HIS A 62 1.511 16.004 -5.918 1.00 0.00 C ATOM 968 CG HIS A 62 1.485 17.500 -5.864 1.00 0.00 C ATOM 969 ND1 HIS A 62 0.562 18.211 -5.126 1.00 0.00 N ATOM 970 CD2 HIS A 62 2.278 18.422 -6.459 1.00 0.00 C ATOM 971 CE1 HIS A 62 0.787 19.505 -5.272 1.00 0.00 C ATOM 972 NE2 HIS A 62 1.823 19.659 -6.075 1.00 0.00 N ATOM 0 H HIS A 62 1.129 13.585 -6.374 1.00 0.00 H new ATOM 0 HA HIS A 62 0.556 15.994 -7.843 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.718 15.612 -5.281 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.456 15.650 -5.505 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.113 18.222 -7.114 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.220 20.301 -4.812 1.00 0.00 H new ATOM 0 HE2 HIS A 62 2.221 20.553 -6.364 1.00 0.00 H new ATOM 981 N ALA A 63 3.462 14.554 -8.111 1.00 0.00 N ATOM 982 CA ALA A 63 4.737 14.577 -8.818 1.00 0.00 C ATOM 983 C ALA A 63 4.548 14.907 -10.296 1.00 0.00 C ATOM 984 O ALA A 63 5.359 15.615 -10.892 1.00 0.00 O ATOM 985 CB ALA A 63 5.449 13.242 -8.663 1.00 0.00 C ATOM 0 H ALA A 63 3.266 13.679 -7.625 1.00 0.00 H new ATOM 0 HA ALA A 63 5.351 15.362 -8.376 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.400 13.273 -9.196 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.631 13.047 -7.606 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.827 12.448 -9.076 1.00 0.00 H new ATOM 991 N VAL A 64 3.474 14.388 -10.883 1.00 0.00 N ATOM 992 CA VAL A 64 3.184 14.628 -12.293 1.00 0.00 C ATOM 993 C VAL A 64 3.103 16.121 -12.596 1.00 0.00 C ATOM 994 O VAL A 64 3.403 16.557 -13.707 1.00 0.00 O ATOM 995 CB VAL A 64 1.865 13.953 -12.721 1.00 0.00 C ATOM 996 CG1 VAL A 64 1.937 12.451 -12.495 1.00 0.00 C ATOM 997 CG2 VAL A 64 0.684 14.558 -11.975 1.00 0.00 C ATOM 0 H VAL A 64 2.791 13.800 -10.406 1.00 0.00 H new ATOM 0 HA VAL A 64 4.006 14.192 -12.861 1.00 0.00 H new ATOM 0 HB VAL A 64 1.718 14.131 -13.786 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.998 11.991 -12.803 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.755 12.033 -13.082 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.110 12.250 -11.438 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.236 14.068 -12.292 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.820 14.417 -10.903 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.622 15.624 -12.195 1.00 0.00 H new ATOM 1007 N GLU A 65 2.695 16.900 -11.599 1.00 0.00 N ATOM 1008 CA GLU A 65 2.575 18.344 -11.757 1.00 0.00 C ATOM 1009 C GLU A 65 3.945 18.988 -11.945 1.00 0.00 C ATOM 1010 O GLU A 65 4.074 20.012 -12.617 1.00 0.00 O ATOM 1011 CB GLU A 65 1.873 18.954 -10.542 1.00 0.00 C ATOM 1012 CG GLU A 65 0.947 20.108 -10.889 1.00 0.00 C ATOM 1013 CD GLU A 65 -0.244 19.670 -11.718 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -0.136 19.680 -12.963 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -1.284 19.318 -11.124 1.00 0.00 O ATOM 0 H GLU A 65 2.442 16.555 -10.673 1.00 0.00 H new ATOM 0 HA GLU A 65 1.978 18.538 -12.648 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.298 18.177 -10.037 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.626 19.303 -9.836 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.593 20.574 -9.970 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.507 20.866 -11.436 1.00 0.00 H new ATOM 1022 N GLN A 66 4.966 18.383 -11.346 1.00 0.00 N ATOM 1023 CA GLN A 66 6.326 18.899 -11.447 1.00 0.00 C ATOM 1024 C GLN A 66 7.141 18.113 -12.472 1.00 0.00 C ATOM 1025 O GLN A 66 8.371 18.118 -12.434 1.00 0.00 O ATOM 1026 CB GLN A 66 7.015 18.846 -10.081 1.00 0.00 C ATOM 1027 CG GLN A 66 7.832 20.088 -9.764 1.00 0.00 C ATOM 1028 CD GLN A 66 8.177 20.198 -8.292 1.00 0.00 C ATOM 1029 OE1 GLN A 66 9.344 20.335 -7.925 1.00 0.00 O ATOM 1030 NE2 GLN A 66 7.161 20.137 -7.439 1.00 0.00 N ATOM 0 H GLN A 66 4.877 17.535 -10.786 1.00 0.00 H new ATOM 0 HA GLN A 66 6.268 19.935 -11.780 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.259 18.711 -9.307 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.667 17.973 -10.046 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.752 20.073 -10.349 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.274 20.973 -10.070 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.209 20.023 -7.787 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.333 20.204 -6.436 1.00 0.00 H new ATOM 1039 N GLN A 67 6.450 17.439 -13.388 1.00 0.00 N ATOM 1040 CA GLN A 67 7.116 16.653 -14.420 1.00 0.00 C ATOM 1041 C GLN A 67 8.006 15.578 -13.801 1.00 0.00 C ATOM 1042 O GLN A 67 9.201 15.503 -14.089 1.00 0.00 O ATOM 1043 CB GLN A 67 7.946 17.565 -15.326 1.00 0.00 C ATOM 1044 CG GLN A 67 7.114 18.577 -16.096 1.00 0.00 C ATOM 1045 CD GLN A 67 6.199 17.925 -17.114 1.00 0.00 C ATOM 1046 OE1 GLN A 67 6.503 17.889 -18.306 1.00 0.00 O ATOM 1047 NE2 GLN A 67 5.069 17.406 -16.646 1.00 0.00 N ATOM 0 H GLN A 67 5.431 17.422 -13.436 1.00 0.00 H new ATOM 0 HA GLN A 67 6.350 16.159 -15.017 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.679 18.096 -14.719 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.503 16.951 -16.034 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.516 19.159 -15.395 1.00 0.00 H new ATOM 0 HG3 GLN A 67 7.778 19.276 -16.605 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.858 17.459 -15.649 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.413 16.955 -17.283 1.00 0.00 H new ATOM 1056 N GLN A 68 7.414 14.746 -12.951 1.00 0.00 N ATOM 1057 CA GLN A 68 8.150 13.674 -12.291 1.00 0.00 C ATOM 1058 C GLN A 68 7.725 12.312 -12.832 1.00 0.00 C ATOM 1059 O GLN A 68 7.631 11.337 -12.086 1.00 0.00 O ATOM 1060 CB GLN A 68 7.929 13.729 -10.778 1.00 0.00 C ATOM 1061 CG GLN A 68 8.859 14.695 -10.063 1.00 0.00 C ATOM 1062 CD GLN A 68 8.613 14.743 -8.567 1.00 0.00 C ATOM 1063 OE1 GLN A 68 7.623 15.311 -8.107 1.00 0.00 O ATOM 1064 NE2 GLN A 68 9.517 14.145 -7.800 1.00 0.00 N ATOM 0 H GLN A 68 6.426 14.793 -12.703 1.00 0.00 H new ATOM 0 HA GLN A 68 9.211 13.813 -12.499 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.897 14.018 -10.580 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.066 12.731 -10.362 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.893 14.403 -10.248 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.730 15.694 -10.481 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.323 13.686 -8.225 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.406 14.145 -6.786 1.00 0.00 H new ATOM 1073 N LEU A 69 7.465 12.256 -14.135 1.00 0.00 N ATOM 1074 CA LEU A 69 7.044 11.019 -14.785 1.00 0.00 C ATOM 1075 C LEU A 69 7.983 9.857 -14.451 1.00 0.00 C ATOM 1076 O LEU A 69 7.535 8.810 -13.983 1.00 0.00 O ATOM 1077 CB LEU A 69 6.971 11.214 -16.302 1.00 0.00 C ATOM 1078 CG LEU A 69 5.955 12.257 -16.771 1.00 0.00 C ATOM 1079 CD1 LEU A 69 6.133 12.545 -18.254 1.00 0.00 C ATOM 1080 CD2 LEU A 69 4.537 11.787 -16.484 1.00 0.00 C ATOM 0 H LEU A 69 7.539 13.056 -14.763 1.00 0.00 H new ATOM 0 HA LEU A 69 6.053 10.769 -14.406 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.958 11.502 -16.664 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.728 10.258 -16.765 1.00 0.00 H new ATOM 0 HG LEU A 69 6.129 13.180 -16.218 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.402 13.289 -18.570 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.139 12.925 -18.433 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.986 11.627 -18.823 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.828 12.541 -16.824 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.351 10.851 -17.010 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.415 11.632 -15.412 1.00 0.00 H new ATOM 1092 N PRO A 70 9.301 10.015 -14.688 1.00 0.00 N ATOM 1093 CA PRO A 70 10.280 8.959 -14.406 1.00 0.00 C ATOM 1094 C PRO A 70 10.276 8.538 -12.941 1.00 0.00 C ATOM 1095 O PRO A 70 10.637 7.408 -12.610 1.00 0.00 O ATOM 1096 CB PRO A 70 11.628 9.593 -14.779 1.00 0.00 C ATOM 1097 CG PRO A 70 11.373 11.060 -14.825 1.00 0.00 C ATOM 1098 CD PRO A 70 9.941 11.218 -15.246 1.00 0.00 C ATOM 0 HA PRO A 70 10.059 8.050 -14.965 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.394 9.350 -14.043 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.983 9.225 -15.742 1.00 0.00 H new ATOM 0 HG2 PRO A 70 11.546 11.517 -13.851 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.044 11.551 -15.531 1.00 0.00 H new ATOM 0 HD2 PRO A 70 9.501 12.132 -14.847 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.841 11.263 -16.330 1.00 0.00 H new ATOM 1106 N GLN A 71 9.866 9.450 -12.066 1.00 0.00 N ATOM 1107 CA GLN A 71 9.816 9.166 -10.636 1.00 0.00 C ATOM 1108 C GLN A 71 8.585 8.333 -10.291 1.00 0.00 C ATOM 1109 O GLN A 71 8.606 7.537 -9.352 1.00 0.00 O ATOM 1110 CB GLN A 71 9.808 10.471 -9.836 1.00 0.00 C ATOM 1111 CG GLN A 71 11.189 10.915 -9.383 1.00 0.00 C ATOM 1112 CD GLN A 71 11.780 11.986 -10.280 1.00 0.00 C ATOM 1113 OE1 GLN A 71 11.773 13.169 -9.941 1.00 0.00 O ATOM 1114 NE2 GLN A 71 12.296 11.574 -11.432 1.00 0.00 N ATOM 0 H GLN A 71 9.564 10.390 -12.321 1.00 0.00 H new ATOM 0 HA GLN A 71 10.705 8.593 -10.371 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.364 11.258 -10.445 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.170 10.347 -8.961 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.129 11.293 -8.363 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.856 10.053 -9.364 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.280 10.583 -11.672 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.708 12.249 -12.076 1.00 0.00 H new ATOM 1123 N VAL A 72 7.515 8.521 -11.057 1.00 0.00 N ATOM 1124 CA VAL A 72 6.275 7.788 -10.834 1.00 0.00 C ATOM 1125 C VAL A 72 6.501 6.281 -10.924 1.00 0.00 C ATOM 1126 O VAL A 72 5.829 5.502 -10.250 1.00 0.00 O ATOM 1127 CB VAL A 72 5.193 8.197 -11.853 1.00 0.00 C ATOM 1128 CG1 VAL A 72 3.873 7.506 -11.545 1.00 0.00 C ATOM 1129 CG2 VAL A 72 5.020 9.709 -11.869 1.00 0.00 C ATOM 0 H VAL A 72 7.482 9.176 -11.838 1.00 0.00 H new ATOM 0 HA VAL A 72 5.934 8.040 -9.830 1.00 0.00 H new ATOM 0 HB VAL A 72 5.518 7.879 -12.844 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.124 7.809 -12.277 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.009 6.425 -11.591 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.539 7.788 -10.546 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.252 9.980 -12.594 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.721 10.051 -10.878 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.963 10.180 -12.146 1.00 0.00 H new ATOM 1139 N ALA A 73 7.451 5.878 -11.762 1.00 0.00 N ATOM 1140 CA ALA A 73 7.763 4.465 -11.939 1.00 0.00 C ATOM 1141 C ALA A 73 8.236 3.838 -10.632 1.00 0.00 C ATOM 1142 O ALA A 73 7.800 2.748 -10.261 1.00 0.00 O ATOM 1143 CB ALA A 73 8.817 4.289 -13.022 1.00 0.00 C ATOM 0 H ALA A 73 8.017 6.510 -12.328 1.00 0.00 H new ATOM 0 HA ALA A 73 6.851 3.954 -12.247 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.040 3.229 -13.144 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.442 4.691 -13.963 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.725 4.821 -12.736 1.00 0.00 H new ATOM 1149 N TRP A 74 9.132 4.532 -9.938 1.00 0.00 N ATOM 1150 CA TRP A 74 9.665 4.042 -8.672 1.00 0.00 C ATOM 1151 C TRP A 74 8.587 4.032 -7.592 1.00 0.00 C ATOM 1152 O TRP A 74 8.350 3.011 -6.947 1.00 0.00 O ATOM 1153 CB TRP A 74 10.847 4.905 -8.224 1.00 0.00 C ATOM 1154 CG TRP A 74 12.014 4.105 -7.731 1.00 0.00 C ATOM 1155 CD1 TRP A 74 12.766 3.224 -8.454 1.00 0.00 C ATOM 1156 CD2 TRP A 74 12.561 4.111 -6.408 1.00 0.00 C ATOM 1157 NE1 TRP A 74 13.748 2.682 -7.661 1.00 0.00 N ATOM 1158 CE2 TRP A 74 13.643 3.210 -6.401 1.00 0.00 C ATOM 1159 CE3 TRP A 74 12.243 4.791 -5.229 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 14.407 2.973 -5.261 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 13.002 4.554 -4.098 1.00 0.00 C ATOM 1162 CH2 TRP A 74 14.073 3.652 -4.121 1.00 0.00 C ATOM 0 H TRP A 74 9.504 5.435 -10.231 1.00 0.00 H new ATOM 0 HA TRP A 74 10.008 3.019 -8.824 1.00 0.00 H new ATOM 0 HB2 TRP A 74 11.169 5.528 -9.058 1.00 0.00 H new ATOM 0 HB3 TRP A 74 10.517 5.578 -7.433 1.00 0.00 H new ATOM 0 HD1 TRP A 74 12.611 2.988 -9.496 1.00 0.00 H new ATOM 0 HE1 TRP A 74 14.442 1.998 -7.961 1.00 0.00 H new ATOM 0 HE3 TRP A 74 11.419 5.489 -5.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 15.234 2.278 -5.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 12.765 5.073 -3.181 1.00 0.00 H new ATOM 0 HH2 TRP A 74 14.647 3.489 -3.221 1.00 0.00 H new ATOM 1173 N LEU A 75 7.938 5.176 -7.400 1.00 0.00 N ATOM 1174 CA LEU A 75 6.886 5.299 -6.397 1.00 0.00 C ATOM 1175 C LEU A 75 5.755 4.313 -6.670 1.00 0.00 C ATOM 1176 O LEU A 75 5.126 3.803 -5.742 1.00 0.00 O ATOM 1177 CB LEU A 75 6.339 6.728 -6.375 1.00 0.00 C ATOM 1178 CG LEU A 75 7.089 7.694 -5.453 1.00 0.00 C ATOM 1179 CD1 LEU A 75 7.983 8.622 -6.262 1.00 0.00 C ATOM 1180 CD2 LEU A 75 6.111 8.497 -4.608 1.00 0.00 C ATOM 0 H LEU A 75 8.122 6.031 -7.925 1.00 0.00 H new ATOM 0 HA LEU A 75 7.318 5.067 -5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.363 7.126 -7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.293 6.696 -6.069 1.00 0.00 H new ATOM 0 HG LEU A 75 7.719 7.108 -4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.507 9.300 -5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.710 8.032 -6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.374 9.200 -6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.663 9.177 -3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.453 9.071 -5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.515 7.818 -3.998 1.00 0.00 H new ATOM 1192 N ALA A 76 5.501 4.049 -7.947 1.00 0.00 N ATOM 1193 CA ALA A 76 4.445 3.124 -8.341 1.00 0.00 C ATOM 1194 C ALA A 76 4.772 1.699 -7.907 1.00 0.00 C ATOM 1195 O ALA A 76 3.924 0.998 -7.354 1.00 0.00 O ATOM 1196 CB ALA A 76 4.228 3.182 -9.846 1.00 0.00 C ATOM 0 H ALA A 76 6.012 4.463 -8.727 1.00 0.00 H new ATOM 0 HA ALA A 76 3.526 3.426 -7.839 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.437 2.487 -10.127 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.941 4.193 -10.133 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.151 2.908 -10.357 1.00 0.00 H new ATOM 1202 N GLU A 77 6.005 1.277 -8.161 1.00 0.00 N ATOM 1203 CA GLU A 77 6.444 -0.065 -7.797 1.00 0.00 C ATOM 1204 C GLU A 77 6.386 -0.266 -6.287 1.00 0.00 C ATOM 1205 O GLU A 77 5.919 -1.299 -5.806 1.00 0.00 O ATOM 1206 CB GLU A 77 7.867 -0.313 -8.302 1.00 0.00 C ATOM 1207 CG GLU A 77 7.921 -0.890 -9.707 1.00 0.00 C ATOM 1208 CD GLU A 77 9.263 -1.519 -10.027 1.00 0.00 C ATOM 1209 OE1 GLU A 77 10.300 -0.890 -9.727 1.00 0.00 O ATOM 1210 OE2 GLU A 77 9.278 -2.639 -10.577 1.00 0.00 O ATOM 0 H GLU A 77 6.719 1.845 -8.618 1.00 0.00 H new ATOM 0 HA GLU A 77 5.769 -0.781 -8.266 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.420 0.626 -8.282 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.373 -0.995 -7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.137 -1.639 -9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.713 -0.100 -10.429 1.00 0.00 H new ATOM 1217 N HIS A 78 6.863 0.726 -5.544 1.00 0.00 N ATOM 1218 CA HIS A 78 6.867 0.658 -4.087 1.00 0.00 C ATOM 1219 C HIS A 78 5.445 0.561 -3.542 1.00 0.00 C ATOM 1220 O HIS A 78 5.194 -0.132 -2.556 1.00 0.00 O ATOM 1221 CB HIS A 78 7.568 1.884 -3.500 1.00 0.00 C ATOM 1222 CG HIS A 78 8.089 1.669 -2.113 1.00 0.00 C ATOM 1223 ND1 HIS A 78 8.617 2.682 -1.341 1.00 0.00 N ATOM 1224 CD2 HIS A 78 8.160 0.547 -1.358 1.00 0.00 C ATOM 1225 CE1 HIS A 78 8.991 2.193 -0.172 1.00 0.00 C ATOM 1226 NE2 HIS A 78 8.724 0.900 -0.157 1.00 0.00 N ATOM 0 H HIS A 78 7.252 1.588 -5.927 1.00 0.00 H new ATOM 0 HA HIS A 78 7.411 -0.239 -3.792 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.396 2.165 -4.151 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.871 2.722 -3.492 1.00 0.00 H new ATOM 0 HD2 HIS A 78 7.834 -0.441 -1.647 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.439 2.755 0.634 1.00 0.00 H new ATOM 0 HE2 HIS A 78 8.907 0.266 0.621 1.00 0.00 H new ATOM 1235 N LEU A 79 4.519 1.262 -4.189 1.00 0.00 N ATOM 1236 CA LEU A 79 3.123 1.255 -3.767 1.00 0.00 C ATOM 1237 C LEU A 79 2.509 -0.131 -3.940 1.00 0.00 C ATOM 1238 O LEU A 79 1.875 -0.658 -3.026 1.00 0.00 O ATOM 1239 CB LEU A 79 2.323 2.285 -4.565 1.00 0.00 C ATOM 1240 CG LEU A 79 2.314 3.696 -3.975 1.00 0.00 C ATOM 1241 CD1 LEU A 79 2.156 4.734 -5.075 1.00 0.00 C ATOM 1242 CD2 LEU A 79 1.204 3.836 -2.945 1.00 0.00 C ATOM 0 H LEU A 79 4.710 1.841 -5.006 1.00 0.00 H new ATOM 0 HA LEU A 79 3.087 1.518 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.728 2.333 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.294 1.937 -4.650 1.00 0.00 H new ATOM 0 HG LEU A 79 3.269 3.867 -3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.152 5.732 -4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.986 4.650 -5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.217 4.566 -5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.213 4.846 -2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.241 3.645 -3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.361 3.117 -2.141 1.00 0.00 H new ATOM 1254 N ALA A 80 2.701 -0.715 -5.118 1.00 0.00 N ATOM 1255 CA ALA A 80 2.165 -2.040 -5.410 1.00 0.00 C ATOM 1256 C ALA A 80 2.711 -3.079 -4.437 1.00 0.00 C ATOM 1257 O ALA A 80 1.989 -3.977 -4.003 1.00 0.00 O ATOM 1258 CB ALA A 80 2.490 -2.435 -6.843 1.00 0.00 C ATOM 0 H ALA A 80 3.223 -0.292 -5.886 1.00 0.00 H new ATOM 0 HA ALA A 80 1.082 -2.002 -5.291 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.085 -3.426 -7.048 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.047 -1.713 -7.529 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.571 -2.450 -6.980 1.00 0.00 H new ATOM 1264 N ALA A 81 3.989 -2.950 -4.097 1.00 0.00 N ATOM 1265 CA ALA A 81 4.632 -3.877 -3.174 1.00 0.00 C ATOM 1266 C ALA A 81 4.016 -3.784 -1.783 1.00 0.00 C ATOM 1267 O ALA A 81 3.688 -4.799 -1.169 1.00 0.00 O ATOM 1268 CB ALA A 81 6.127 -3.604 -3.111 1.00 0.00 C ATOM 0 H ALA A 81 4.600 -2.212 -4.447 1.00 0.00 H new ATOM 0 HA ALA A 81 4.473 -4.890 -3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.596 -4.303 -2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.562 -3.729 -4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.296 -2.584 -2.767 1.00 0.00 H new ATOM 1274 N GLN A 82 3.863 -2.559 -1.291 1.00 0.00 N ATOM 1275 CA GLN A 82 3.288 -2.331 0.029 1.00 0.00 C ATOM 1276 C GLN A 82 1.853 -2.847 0.096 1.00 0.00 C ATOM 1277 O GLN A 82 1.468 -3.517 1.054 1.00 0.00 O ATOM 1278 CB GLN A 82 3.327 -0.840 0.375 1.00 0.00 C ATOM 1279 CG GLN A 82 3.996 -0.542 1.706 1.00 0.00 C ATOM 1280 CD GLN A 82 4.502 0.884 1.799 1.00 0.00 C ATOM 1281 OE1 GLN A 82 5.689 1.121 2.021 1.00 0.00 O ATOM 1282 NE2 GLN A 82 3.599 1.844 1.630 1.00 0.00 N ATOM 0 H GLN A 82 4.129 -1.709 -1.787 1.00 0.00 H new ATOM 0 HA GLN A 82 3.884 -2.880 0.758 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.855 -0.306 -0.415 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.308 -0.453 0.395 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.287 -0.725 2.514 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.829 -1.229 1.851 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.625 1.602 1.448 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.880 2.823 1.682 1.00 0.00 H new ATOM 1291 N LEU A 83 1.066 -2.529 -0.928 1.00 0.00 N ATOM 1292 CA LEU A 83 -0.326 -2.961 -0.984 1.00 0.00 C ATOM 1293 C LEU A 83 -0.426 -4.483 -0.975 1.00 0.00 C ATOM 1294 O LEU A 83 -1.223 -5.058 -0.234 1.00 0.00 O ATOM 1295 CB LEU A 83 -1.007 -2.401 -2.235 1.00 0.00 C ATOM 1296 CG LEU A 83 -2.487 -2.054 -2.067 1.00 0.00 C ATOM 1297 CD1 LEU A 83 -3.083 -1.600 -3.391 1.00 0.00 C ATOM 1298 CD2 LEU A 83 -3.255 -3.246 -1.517 1.00 0.00 C ATOM 0 H LEU A 83 1.368 -1.974 -1.729 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.834 -2.577 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.473 -1.505 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.910 -3.130 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.569 -1.233 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.137 -1.357 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.551 -0.717 -3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.989 -2.400 -4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.306 -2.981 -1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.165 -4.086 -2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.845 -3.527 -0.547 1.00 0.00 H new ATOM 1310 N GLU A 84 0.387 -5.130 -1.804 1.00 0.00 N ATOM 1311 CA GLU A 84 0.389 -6.586 -1.891 1.00 0.00 C ATOM 1312 C GLU A 84 0.709 -7.213 -0.537 1.00 0.00 C ATOM 1313 O GLU A 84 0.091 -8.199 -0.137 1.00 0.00 O ATOM 1314 CB GLU A 84 1.404 -7.055 -2.936 1.00 0.00 C ATOM 1315 CG GLU A 84 0.812 -7.222 -4.326 1.00 0.00 C ATOM 1316 CD GLU A 84 1.874 -7.370 -5.398 1.00 0.00 C ATOM 1317 OE1 GLU A 84 2.808 -6.541 -5.427 1.00 0.00 O ATOM 1318 OE2 GLU A 84 1.771 -8.314 -6.209 1.00 0.00 O ATOM 0 H GLU A 84 1.052 -4.669 -2.425 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.608 -6.907 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.223 -6.337 -2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.831 -8.005 -2.615 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.164 -8.099 -4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.186 -6.360 -4.556 1.00 0.00 H new ATOM 1325 N ALA A 85 1.679 -6.633 0.163 1.00 0.00 N ATOM 1326 CA ALA A 85 2.081 -7.134 1.471 1.00 0.00 C ATOM 1327 C ALA A 85 0.937 -7.031 2.474 1.00 0.00 C ATOM 1328 O ALA A 85 0.671 -7.969 3.226 1.00 0.00 O ATOM 1329 CB ALA A 85 3.298 -6.372 1.976 1.00 0.00 C ATOM 0 H ALA A 85 2.201 -5.816 -0.154 1.00 0.00 H new ATOM 0 HA ALA A 85 2.343 -8.187 1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.588 -6.756 2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.124 -6.501 1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.055 -5.313 2.060 1.00 0.00 H new ATOM 1335 N ILE A 86 0.262 -5.886 2.478 1.00 0.00 N ATOM 1336 CA ILE A 86 -0.855 -5.661 3.388 1.00 0.00 C ATOM 1337 C ILE A 86 -2.016 -6.597 3.071 1.00 0.00 C ATOM 1338 O ILE A 86 -2.629 -7.170 3.973 1.00 0.00 O ATOM 1339 CB ILE A 86 -1.351 -4.203 3.319 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -0.181 -3.232 3.489 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -2.411 -3.952 4.382 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -0.300 -1.988 2.637 1.00 0.00 C ATOM 0 H ILE A 86 0.469 -5.100 1.862 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.491 -5.865 4.395 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.798 -4.035 2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.111 -2.940 4.537 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.747 -3.746 3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.751 -2.918 4.320 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.255 -4.622 4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.987 -4.136 5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.564 -1.345 2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.339 -2.270 1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.210 -1.451 2.903 1.00 0.00 H new ATOM 1354 N ALA A 87 -2.313 -6.749 1.785 1.00 0.00 N ATOM 1355 CA ALA A 87 -3.400 -7.616 1.349 1.00 0.00 C ATOM 1356 C ALA A 87 -3.084 -9.079 1.638 1.00 0.00 C ATOM 1357 O ALA A 87 -3.975 -9.866 1.959 1.00 0.00 O ATOM 1358 CB ALA A 87 -3.672 -7.416 -0.134 1.00 0.00 C ATOM 0 H ALA A 87 -1.816 -6.283 1.026 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.294 -7.347 1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.486 -8.070 -0.446 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.950 -6.378 -0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.775 -7.657 -0.704 1.00 0.00 H new ATOM 1364 N ARG A 88 -1.810 -9.438 1.521 1.00 0.00 N ATOM 1365 CA ARG A 88 -1.376 -10.808 1.771 1.00 0.00 C ATOM 1366 C ARG A 88 -1.646 -11.209 3.217 1.00 0.00 C ATOM 1367 O ARG A 88 -2.289 -12.224 3.481 1.00 0.00 O ATOM 1368 CB ARG A 88 0.114 -10.960 1.457 1.00 0.00 C ATOM 1369 CG ARG A 88 0.559 -12.405 1.306 1.00 0.00 C ATOM 1370 CD ARG A 88 1.171 -12.937 2.591 1.00 0.00 C ATOM 1371 NE ARG A 88 1.671 -14.301 2.436 1.00 0.00 N ATOM 1372 CZ ARG A 88 0.895 -15.382 2.460 1.00 0.00 C ATOM 1373 NH1 ARG A 88 -0.415 -15.264 2.632 1.00 0.00 N ATOM 1374 NH2 ARG A 88 1.432 -16.586 2.311 1.00 0.00 N ATOM 0 H ARG A 88 -1.060 -8.800 1.255 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.947 -11.468 1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.340 -10.421 0.537 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.694 -10.491 2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.295 -13.022 1.026 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.286 -12.480 0.497 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.988 -12.285 2.901 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.425 -12.913 3.385 1.00 0.00 H new ATOM 0 HE ARG A 88 2.674 -14.433 2.302 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.833 -14.341 2.747 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.004 -16.096 2.649 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.439 -16.683 2.178 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.838 -17.415 2.329 1.00 0.00 H new ATOM 1388 N GLU A 89 -1.151 -10.403 4.151 1.00 0.00 N ATOM 1389 CA GLU A 89 -1.341 -10.673 5.571 1.00 0.00 C ATOM 1390 C GLU A 89 -2.823 -10.674 5.929 1.00 0.00 C ATOM 1391 O GLU A 89 -3.291 -11.533 6.676 1.00 0.00 O ATOM 1392 CB GLU A 89 -0.601 -9.632 6.414 1.00 0.00 C ATOM 1393 CG GLU A 89 -0.981 -8.199 6.080 1.00 0.00 C ATOM 1394 CD GLU A 89 -0.302 -7.190 6.986 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -0.387 -7.351 8.222 1.00 0.00 O ATOM 1396 OE2 GLU A 89 0.315 -6.240 6.460 1.00 0.00 O ATOM 0 H GLU A 89 -0.616 -9.558 3.950 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.932 -11.660 5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.806 -9.817 7.468 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.472 -9.757 6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.715 -7.988 5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.062 -8.085 6.161 1.00 0.00 H new ATOM 1403 N ALA A 90 -3.557 -9.706 5.389 1.00 0.00 N ATOM 1404 CA ALA A 90 -4.987 -9.594 5.650 1.00 0.00 C ATOM 1405 C ALA A 90 -5.736 -10.817 5.134 1.00 0.00 C ATOM 1406 O ALA A 90 -6.686 -11.285 5.760 1.00 0.00 O ATOM 1407 CB ALA A 90 -5.540 -8.327 5.016 1.00 0.00 C ATOM 0 H ALA A 90 -3.184 -8.988 4.768 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.132 -9.541 6.729 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.609 -8.255 5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.032 -7.459 5.436 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.376 -8.358 3.939 1.00 0.00 H new ATOM 1413 N SER A 91 -5.300 -11.331 3.988 1.00 0.00 N ATOM 1414 CA SER A 91 -5.930 -12.501 3.387 1.00 0.00 C ATOM 1415 C SER A 91 -5.522 -13.774 4.121 1.00 0.00 C ATOM 1416 O SER A 91 -6.316 -14.705 4.257 1.00 0.00 O ATOM 1417 CB SER A 91 -5.551 -12.607 1.909 1.00 0.00 C ATOM 1418 OG SER A 91 -4.204 -13.022 1.755 1.00 0.00 O ATOM 0 H SER A 91 -4.514 -10.956 3.458 1.00 0.00 H new ATOM 0 HA SER A 91 -7.011 -12.385 3.470 1.00 0.00 H new ATOM 0 HB2 SER A 91 -6.212 -13.316 1.411 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.695 -11.642 1.424 1.00 0.00 H new ATOM 0 HG SER A 91 -3.629 -12.491 2.344 1.00 0.00 H new ATOM 1424 N ALA A 92 -4.280 -13.807 4.594 1.00 0.00 N ATOM 1425 CA ALA A 92 -3.768 -14.966 5.314 1.00 0.00 C ATOM 1426 C ALA A 92 -4.559 -15.210 6.595 1.00 0.00 C ATOM 1427 O ALA A 92 -5.170 -16.265 6.768 1.00 0.00 O ATOM 1428 CB ALA A 92 -2.292 -14.780 5.631 1.00 0.00 C ATOM 0 H ALA A 92 -3.610 -13.044 4.491 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.884 -15.841 4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.923 -15.653 6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.733 -14.662 4.703 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -2.162 -13.891 6.249 1.00 0.00 H new ATOM 1434 N TRP A 93 -4.546 -14.227 7.490 1.00 0.00 N ATOM 1435 CA TRP A 93 -5.264 -14.337 8.755 1.00 0.00 C ATOM 1436 C TRP A 93 -6.764 -14.484 8.519 1.00 0.00 C ATOM 1437 O TRP A 93 -7.481 -15.041 9.351 1.00 0.00 O ATOM 1438 CB TRP A 93 -4.992 -13.112 9.631 1.00 0.00 C ATOM 1439 CG TRP A 93 -3.558 -12.679 9.618 1.00 0.00 C ATOM 1440 CD1 TRP A 93 -3.085 -11.416 9.409 1.00 0.00 C ATOM 1441 CD2 TRP A 93 -2.410 -13.510 9.820 1.00 0.00 C ATOM 1442 NE1 TRP A 93 -1.713 -11.411 9.467 1.00 0.00 N ATOM 1443 CE2 TRP A 93 -1.275 -12.685 9.720 1.00 0.00 C ATOM 1444 CE3 TRP A 93 -2.232 -14.872 10.077 1.00 0.00 C ATOM 1445 CZ2 TRP A 93 0.020 -13.178 9.867 1.00 0.00 C ATOM 1446 CZ3 TRP A 93 -0.947 -15.360 10.224 1.00 0.00 C ATOM 1447 CH2 TRP A 93 0.164 -14.515 10.119 1.00 0.00 C ATOM 0 H TRP A 93 -4.047 -13.347 7.363 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.906 -15.229 9.269 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -5.617 -12.286 9.292 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -5.288 -13.335 10.656 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -3.700 -10.547 9.225 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.117 -10.593 9.342 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -3.083 -15.532 10.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 0.879 -12.528 9.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -0.798 -16.411 10.423 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.155 -14.927 10.239 1.00 0.00 H new ATOM 1458 N SER A 94 -7.234 -13.981 7.381 1.00 0.00 N ATOM 1459 CA SER A 94 -8.650 -14.058 7.038 1.00 0.00 C ATOM 1460 C SER A 94 -9.050 -15.490 6.693 1.00 0.00 C ATOM 1461 O SER A 94 -9.436 -15.784 5.561 1.00 0.00 O ATOM 1462 CB SER A 94 -8.962 -13.129 5.863 1.00 0.00 C ATOM 1463 OG SER A 94 -9.324 -11.837 6.317 1.00 0.00 O ATOM 0 H SER A 94 -6.655 -13.516 6.681 1.00 0.00 H new ATOM 0 HA SER A 94 -9.227 -13.740 7.906 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.092 -13.058 5.210 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.773 -13.549 5.268 1.00 0.00 H new ATOM 0 HG SER A 94 -8.549 -11.240 6.258 1.00 0.00 H new ATOM 1469 N LEU A 95 -8.958 -16.378 7.678 1.00 0.00 N ATOM 1470 CA LEU A 95 -9.312 -17.779 7.480 1.00 0.00 C ATOM 1471 C LEU A 95 -9.723 -18.431 8.797 1.00 0.00 C ATOM 1472 O LEU A 95 -9.629 -19.649 8.952 1.00 0.00 O ATOM 1473 CB LEU A 95 -8.136 -18.542 6.867 1.00 0.00 C ATOM 1474 CG LEU A 95 -8.468 -19.955 6.377 1.00 0.00 C ATOM 1475 CD1 LEU A 95 -8.504 -20.000 4.857 1.00 0.00 C ATOM 1476 CD2 LEU A 95 -7.460 -20.960 6.918 1.00 0.00 C ATOM 0 H LEU A 95 -8.641 -16.152 8.621 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.160 -17.819 6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.745 -17.965 6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.339 -18.608 7.608 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.456 -20.224 6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.741 -21.012 4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -9.265 -19.312 4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.531 -19.709 4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.713 -21.958 6.559 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.460 -20.693 6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.485 -20.949 8.008 1.00 0.00 H new ATOM 1488 N ARG A 96 -10.180 -17.615 9.742 1.00 0.00 N ATOM 1489 CA ARG A 96 -10.605 -18.114 11.045 1.00 0.00 C ATOM 1490 C ARG A 96 -11.369 -17.039 11.814 1.00 0.00 C ATOM 1491 O ARG A 96 -11.324 -16.990 13.043 1.00 0.00 O ATOM 1492 CB ARG A 96 -9.392 -18.580 11.855 1.00 0.00 C ATOM 1493 CG ARG A 96 -9.249 -20.092 11.923 1.00 0.00 C ATOM 1494 CD ARG A 96 -10.063 -20.678 13.065 1.00 0.00 C ATOM 1495 NE ARG A 96 -9.980 -22.136 13.106 1.00 0.00 N ATOM 1496 CZ ARG A 96 -10.733 -22.899 13.894 1.00 0.00 C ATOM 1497 NH1 ARG A 96 -11.627 -22.349 14.706 1.00 0.00 N ATOM 1498 NH2 ARG A 96 -10.593 -24.218 13.869 1.00 0.00 N ATOM 0 H ARG A 96 -10.265 -16.605 9.629 1.00 0.00 H new ATOM 0 HA ARG A 96 -11.271 -18.962 10.886 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -8.488 -18.158 11.416 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.469 -18.185 12.868 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -9.574 -20.532 10.980 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.199 -20.354 12.052 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.708 -20.268 14.011 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.105 -20.377 12.959 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.305 -22.596 12.495 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.740 -21.336 14.729 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.201 -22.940 15.308 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.908 -24.646 13.246 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -11.170 -24.804 14.473 1.00 0.00 H new ATOM 1512 N GLU A 97 -12.069 -16.179 11.081 1.00 0.00 N ATOM 1513 CA GLU A 97 -12.844 -15.104 11.691 1.00 0.00 C ATOM 1514 C GLU A 97 -11.948 -14.190 12.523 1.00 0.00 C ATOM 1515 O GLU A 97 -12.343 -13.723 13.591 1.00 0.00 O ATOM 1516 CB GLU A 97 -13.958 -15.683 12.566 1.00 0.00 C ATOM 1517 CG GLU A 97 -15.287 -14.960 12.413 1.00 0.00 C ATOM 1518 CD GLU A 97 -16.395 -15.871 11.921 1.00 0.00 C ATOM 1519 OE1 GLU A 97 -16.533 -16.986 12.467 1.00 0.00 O ATOM 1520 OE2 GLU A 97 -17.124 -15.470 10.990 1.00 0.00 O ATOM 0 H GLU A 97 -12.116 -16.206 10.062 1.00 0.00 H new ATOM 0 HA GLU A 97 -13.291 -14.513 10.891 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.095 -16.735 12.317 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -13.648 -15.640 13.610 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -15.575 -14.530 13.372 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -15.167 -14.131 11.715 1.00 0.00 H new ATOM 1527 N TRP A 98 -10.742 -13.937 12.024 1.00 0.00 N ATOM 1528 CA TRP A 98 -9.792 -13.078 12.721 1.00 0.00 C ATOM 1529 C TRP A 98 -9.653 -11.734 12.012 1.00 0.00 C ATOM 1530 O TRP A 98 -10.455 -11.466 11.093 1.00 0.00 O ATOM 1531 CB TRP A 98 -8.426 -13.761 12.816 1.00 0.00 C ATOM 1532 CG TRP A 98 -7.659 -13.386 14.047 1.00 0.00 C ATOM 1533 CD1 TRP A 98 -7.974 -13.701 15.337 1.00 0.00 C ATOM 1534 CD2 TRP A 98 -6.447 -12.623 14.104 1.00 0.00 C ATOM 1535 NE1 TRP A 98 -7.033 -13.182 16.193 1.00 0.00 N ATOM 1536 CE2 TRP A 98 -6.085 -12.516 15.460 1.00 0.00 C ATOM 1537 CE3 TRP A 98 -5.633 -12.022 13.140 1.00 0.00 C ATOM 1538 CZ2 TRP A 98 -4.946 -11.832 15.875 1.00 0.00 C ATOM 1539 CZ3 TRP A 98 -4.502 -11.343 13.553 1.00 0.00 C ATOM 1540 CH2 TRP A 98 -4.167 -11.253 14.910 1.00 0.00 C ATOM 1541 OXT TRP A 98 -8.744 -10.962 12.382 1.00 0.00 O ATOM 0 H TRP A 98 -10.400 -14.314 11.140 1.00 0.00 H new ATOM 0 HA TRP A 98 -10.172 -12.901 13.727 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -8.566 -14.842 12.799 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -7.836 -13.502 11.936 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -8.837 -14.275 15.641 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -7.039 -13.277 17.209 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -5.883 -12.087 12.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -4.686 -11.761 16.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -3.866 -10.874 12.817 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -3.276 -10.716 15.201 1.00 0.00 H new TER 1552 TRP A 98