USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 859 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 102 GLN : amide:sc= 0.835 K(o=2.9,f=-2.2) USER MOD Set 1.2: A 105 LYS NZ :NH3+ -175:sc= 2.09 (180deg=0.967) USER MOD Set 2.1: A 36 SER OG : rot 141:sc= 1.77 USER MOD Set 2.2: A 87 CYS SG : rot 179:sc= 0.56 USER MOD Set 3.1: A 69 SER OG : rot 167:sc= 1.38 USER MOD Set 3.2: A 76 GLN : amide:sc= 1.13 K(o=2.5,f=-1.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -101:sc= 0.0504 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0343 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 84:sc= 1.2 USER MOD Single : A 10 THR OG1 : rot 77:sc= 0.0066 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -82:sc= 1.22 USER MOD Single : A 17 SER OG : rot 86:sc= 1.26 USER MOD Single : A 18 HIS : no HE2:sc= 0.253 K(o=0.25,f=-0.96) USER MOD Single : A 19 LYS NZ :NH3+ 177:sc= 1.71 (180deg=1.7) USER MOD Single : A 24 MET CE :methyl -159:sc= -0.114 (180deg=-0.327) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= 1.02 (180deg=1) USER MOD Single : A 32 GLN : amide:sc= 0.715 K(o=0.71,f=-0.026) USER MOD Single : A 33 CYS SG : rot 180:sc= -0.0302 USER MOD Single : A 37 GLN : amide:sc= 0.351 K(o=0.35,f=-0.18) USER MOD Single : A 38 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 41 GLN : amide:sc= 0.747 K(o=0.75,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 67:sc= 1.26 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 2:sc= 0.466 USER MOD Single : A 54 ASN : amide:sc= 0.305 K(o=0.31,f=-6.6!) USER MOD Single : A 58 ASN : amide:sc= 0.69 K(o=0.69,f=0) USER MOD Single : A 63 GLN : amide:sc= 1.07 K(o=1.1,f=-0.24) USER MOD Single : A 66 LYS NZ :NH3+ 166:sc= 0.745 (180deg=0.628) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 41:sc= 0.327 USER MOD Single : A 78 TYR OH : rot 136:sc= 0.628 USER MOD Single : A 90 THR OG1 : rot 80:sc= 1.17 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -173:sc= 1.23 (180deg=1.11) USER MOD Single : A 96 SER OG : rot 91:sc= 1.23 USER MOD Single : A 100 GLN : amide:sc= 0.866 K(o=0.87,f=-0.56) USER MOD Single : A 107 MET CE :methyl -170:sc=-0.00458 (180deg=-0.166) USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -7:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.869 -2.195 -5.061 1.00 0.00 N ATOM 2 CA MET A 1 -3.578 -1.600 -5.521 1.00 0.00 C ATOM 3 C MET A 1 -2.954 -0.683 -4.456 1.00 0.00 C ATOM 4 O MET A 1 -3.639 -0.249 -3.527 1.00 0.00 O ATOM 5 CB MET A 1 -3.714 -0.881 -6.887 1.00 0.00 C ATOM 6 CG MET A 1 -4.607 0.373 -6.880 1.00 0.00 C ATOM 7 SD MET A 1 -4.634 1.316 -8.434 1.00 0.00 S ATOM 8 CE MET A 1 -5.556 0.192 -9.521 1.00 0.00 C ATOM 0 H1 MET A 1 -4.709 -3.174 -4.750 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.245 -1.637 -4.268 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.553 -2.188 -5.844 1.00 0.00 H new ATOM 0 HA MET A 1 -2.891 -2.433 -5.671 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.719 -0.598 -7.231 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.113 -1.588 -7.614 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.626 0.072 -6.639 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.272 1.033 -6.080 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.651 0.639 -10.511 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.023 -0.756 -9.601 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.548 0.017 -9.106 1.00 0.00 H new ATOM 20 N ALA A 2 -1.658 -0.372 -4.589 1.00 0.00 N ATOM 21 CA ALA A 2 -0.943 0.588 -3.733 1.00 0.00 C ATOM 22 C ALA A 2 -1.277 2.056 -4.083 1.00 0.00 C ATOM 23 O ALA A 2 -1.934 2.341 -5.086 1.00 0.00 O ATOM 24 CB ALA A 2 0.564 0.296 -3.854 1.00 0.00 C ATOM 0 H ALA A 2 -1.065 -0.787 -5.307 1.00 0.00 H new ATOM 0 HA ALA A 2 -1.266 0.462 -2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.121 0.994 -3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.764 -0.724 -3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.875 0.411 -4.892 1.00 0.00 H new ATOM 30 N LEU A 3 -0.778 3.001 -3.273 1.00 0.00 N ATOM 31 CA LEU A 3 -0.976 4.448 -3.471 1.00 0.00 C ATOM 32 C LEU A 3 -0.180 5.054 -4.643 1.00 0.00 C ATOM 33 O LEU A 3 -0.449 6.190 -5.031 1.00 0.00 O ATOM 34 CB LEU A 3 -0.722 5.192 -2.136 1.00 0.00 C ATOM 35 CG LEU A 3 0.636 5.003 -1.412 1.00 0.00 C ATOM 36 CD1 LEU A 3 1.855 5.488 -2.213 1.00 0.00 C ATOM 37 CD2 LEU A 3 0.599 5.762 -0.077 1.00 0.00 C ATOM 0 H LEU A 3 -0.217 2.781 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.015 4.586 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.847 6.258 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.508 4.897 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 3 0.759 3.929 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.762 5.318 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.916 4.937 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.752 6.553 -2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.550 5.635 0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.427 6.822 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.206 5.368 0.543 1.00 0.00 H new ATOM 49 N THR A 4 0.784 4.315 -5.211 1.00 0.00 N ATOM 50 CA THR A 4 1.783 4.801 -6.183 1.00 0.00 C ATOM 51 C THR A 4 1.230 5.492 -7.439 1.00 0.00 C ATOM 52 O THR A 4 1.745 6.574 -7.720 1.00 0.00 O ATOM 53 CB THR A 4 2.800 3.705 -6.535 1.00 0.00 C ATOM 54 OG1 THR A 4 2.139 2.479 -6.756 1.00 0.00 O ATOM 55 CG2 THR A 4 3.786 3.495 -5.387 1.00 0.00 C ATOM 0 H THR A 4 0.896 3.323 -5.000 1.00 0.00 H new ATOM 0 HA THR A 4 2.292 5.607 -5.655 1.00 0.00 H new ATOM 0 HB THR A 4 3.329 4.025 -7.433 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.797 1.789 -6.981 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.498 2.715 -5.657 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.322 4.424 -5.193 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.243 3.196 -4.491 1.00 0.00 H new ATOM 63 N PRO A 5 0.218 4.989 -8.183 1.00 0.00 N ATOM 64 CA PRO A 5 -0.269 5.678 -9.379 1.00 0.00 C ATOM 65 C PRO A 5 -1.008 6.980 -9.043 1.00 0.00 C ATOM 66 O PRO A 5 -0.800 7.986 -9.722 1.00 0.00 O ATOM 67 CB PRO A 5 -1.169 4.672 -10.103 1.00 0.00 C ATOM 68 CG PRO A 5 -1.650 3.742 -8.994 1.00 0.00 C ATOM 69 CD PRO A 5 -0.452 3.701 -8.047 1.00 0.00 C ATOM 0 HA PRO A 5 0.560 5.992 -10.013 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.004 5.168 -10.598 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.621 4.127 -10.871 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -2.543 4.127 -8.501 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.899 2.752 -9.375 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.774 3.536 -7.019 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.221 2.883 -8.305 1.00 0.00 H new ATOM 77 N ALA A 6 -1.830 6.992 -7.984 1.00 0.00 N ATOM 78 CA ALA A 6 -2.561 8.183 -7.538 1.00 0.00 C ATOM 79 C ALA A 6 -1.605 9.266 -7.008 1.00 0.00 C ATOM 80 O ALA A 6 -1.689 10.424 -7.420 1.00 0.00 O ATOM 81 CB ALA A 6 -3.583 7.745 -6.479 1.00 0.00 C ATOM 0 H ALA A 6 -2.006 6.168 -7.409 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.084 8.636 -8.380 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.141 8.614 -6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.272 7.022 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.062 7.287 -5.638 1.00 0.00 H new ATOM 87 N LEU A 7 -0.648 8.867 -6.161 1.00 0.00 N ATOM 88 CA LEU A 7 0.425 9.719 -5.643 1.00 0.00 C ATOM 89 C LEU A 7 1.229 10.325 -6.795 1.00 0.00 C ATOM 90 O LEU A 7 1.342 11.546 -6.894 1.00 0.00 O ATOM 91 CB LEU A 7 1.273 8.859 -4.683 1.00 0.00 C ATOM 92 CG LEU A 7 2.477 9.516 -3.975 1.00 0.00 C ATOM 93 CD1 LEU A 7 3.701 9.680 -4.884 1.00 0.00 C ATOM 94 CD2 LEU A 7 2.116 10.848 -3.298 1.00 0.00 C ATOM 0 H LEU A 7 -0.599 7.912 -5.807 1.00 0.00 H new ATOM 0 HA LEU A 7 0.032 10.571 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.608 8.468 -3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.646 8.003 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 7 2.755 8.812 -3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.510 10.148 -4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.024 8.701 -5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.440 10.307 -5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.001 11.263 -2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.748 11.549 -4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.342 10.678 -2.549 1.00 0.00 H new ATOM 106 N LYS A 8 1.748 9.493 -7.705 1.00 0.00 N ATOM 107 CA LYS A 8 2.574 9.960 -8.823 1.00 0.00 C ATOM 108 C LYS A 8 1.809 10.921 -9.750 1.00 0.00 C ATOM 109 O LYS A 8 2.399 11.896 -10.211 1.00 0.00 O ATOM 110 CB LYS A 8 3.149 8.740 -9.565 1.00 0.00 C ATOM 111 CG LYS A 8 4.229 9.146 -10.577 1.00 0.00 C ATOM 112 CD LYS A 8 4.862 7.912 -11.236 1.00 0.00 C ATOM 113 CE LYS A 8 5.991 8.343 -12.184 1.00 0.00 C ATOM 114 NZ LYS A 8 6.634 7.176 -12.848 1.00 0.00 N ATOM 0 H LYS A 8 1.608 8.483 -7.687 1.00 0.00 H new ATOM 0 HA LYS A 8 3.405 10.548 -8.434 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.572 8.041 -8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.345 8.217 -10.082 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.792 9.787 -11.343 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.001 9.730 -10.075 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.254 7.242 -10.471 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.105 7.356 -11.788 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.591 9.017 -12.942 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.742 8.901 -11.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.390 7.509 -13.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.038 6.545 -12.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.924 6.657 -13.403 1.00 0.00 H new ATOM 128 N THR A 9 0.499 10.713 -9.958 1.00 0.00 N ATOM 129 CA THR A 9 -0.387 11.601 -10.720 1.00 0.00 C ATOM 130 C THR A 9 -0.497 12.978 -10.064 1.00 0.00 C ATOM 131 O THR A 9 -0.337 13.979 -10.760 1.00 0.00 O ATOM 132 CB THR A 9 -1.743 10.922 -10.886 1.00 0.00 C ATOM 133 OG1 THR A 9 -1.584 9.759 -11.668 1.00 0.00 O ATOM 134 CG2 THR A 9 -2.758 11.809 -11.585 1.00 0.00 C ATOM 0 H THR A 9 0.014 9.896 -9.588 1.00 0.00 H new ATOM 0 HA THR A 9 0.034 11.777 -11.710 1.00 0.00 H new ATOM 0 HB THR A 9 -2.111 10.696 -9.885 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.296 9.017 -11.096 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.705 11.276 -11.677 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.908 12.718 -11.003 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.391 12.070 -12.578 1.00 0.00 H new ATOM 142 N THR A 10 -0.698 13.045 -8.739 1.00 0.00 N ATOM 143 CA THR A 10 -0.715 14.307 -7.979 1.00 0.00 C ATOM 144 C THR A 10 0.633 15.016 -8.060 1.00 0.00 C ATOM 145 O THR A 10 0.679 16.198 -8.405 1.00 0.00 O ATOM 146 CB THR A 10 -1.128 14.045 -6.525 1.00 0.00 C ATOM 147 OG1 THR A 10 -2.436 13.523 -6.538 1.00 0.00 O ATOM 148 CG2 THR A 10 -1.148 15.319 -5.675 1.00 0.00 C ATOM 0 H THR A 10 -0.854 12.220 -8.160 1.00 0.00 H new ATOM 0 HA THR A 10 -1.454 14.971 -8.426 1.00 0.00 H new ATOM 0 HB THR A 10 -0.400 13.361 -6.090 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.409 12.581 -6.806 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.447 15.072 -4.656 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.153 15.764 -5.663 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.858 16.029 -6.100 1.00 0.00 H new ATOM 156 N LEU A 11 1.734 14.313 -7.774 1.00 0.00 N ATOM 157 CA LEU A 11 3.071 14.914 -7.811 1.00 0.00 C ATOM 158 C LEU A 11 3.436 15.412 -9.209 1.00 0.00 C ATOM 159 O LEU A 11 3.906 16.540 -9.314 1.00 0.00 O ATOM 160 CB LEU A 11 4.132 13.948 -7.252 1.00 0.00 C ATOM 161 CG LEU A 11 3.967 13.564 -5.767 1.00 0.00 C ATOM 162 CD1 LEU A 11 5.205 12.778 -5.327 1.00 0.00 C ATOM 163 CD2 LEU A 11 3.780 14.769 -4.830 1.00 0.00 C ATOM 0 H LEU A 11 1.725 13.327 -7.514 1.00 0.00 H new ATOM 0 HA LEU A 11 3.051 15.790 -7.163 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.117 13.036 -7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.115 14.400 -7.385 1.00 0.00 H new ATOM 0 HG LEU A 11 3.057 12.969 -5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.105 12.498 -4.278 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.300 11.878 -5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.093 13.397 -5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.671 14.418 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.650 15.422 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.887 15.321 -5.122 1.00 0.00 H new ATOM 175 N ASP A 12 3.153 14.657 -10.274 1.00 0.00 N ATOM 176 CA ASP A 12 3.349 15.092 -11.663 1.00 0.00 C ATOM 177 C ASP A 12 2.581 16.390 -11.965 1.00 0.00 C ATOM 178 O ASP A 12 3.180 17.363 -12.424 1.00 0.00 O ATOM 179 CB ASP A 12 2.934 13.973 -12.626 1.00 0.00 C ATOM 180 CG ASP A 12 3.148 14.384 -14.091 1.00 0.00 C ATOM 181 OD1 ASP A 12 4.315 14.377 -14.549 1.00 0.00 O ATOM 182 OD2 ASP A 12 2.148 14.699 -14.779 1.00 0.00 O ATOM 0 H ASP A 12 2.776 13.713 -10.196 1.00 0.00 H new ATOM 0 HA ASP A 12 4.408 15.305 -11.805 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.511 13.074 -12.411 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.885 13.724 -12.466 1.00 0.00 H new ATOM 187 N LYS A 13 1.289 16.458 -11.610 1.00 0.00 N ATOM 188 CA LYS A 13 0.478 17.676 -11.742 1.00 0.00 C ATOM 189 C LYS A 13 1.066 18.844 -10.932 1.00 0.00 C ATOM 190 O LYS A 13 1.168 19.958 -11.450 1.00 0.00 O ATOM 191 CB LYS A 13 -0.975 17.366 -11.337 1.00 0.00 C ATOM 192 CG LYS A 13 -1.701 16.534 -12.408 1.00 0.00 C ATOM 193 CD LYS A 13 -3.085 16.088 -11.917 1.00 0.00 C ATOM 194 CE LYS A 13 -3.817 15.207 -12.943 1.00 0.00 C ATOM 195 NZ LYS A 13 -4.257 15.966 -14.149 1.00 0.00 N ATOM 0 H LYS A 13 0.776 15.666 -11.222 1.00 0.00 H new ATOM 0 HA LYS A 13 0.489 17.997 -12.784 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.981 16.825 -10.391 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.514 18.299 -11.174 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.807 17.122 -13.320 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.102 15.659 -12.661 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.976 15.538 -10.982 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.691 16.968 -11.700 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.160 14.394 -13.251 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.687 14.752 -12.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.744 15.323 -14.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.907 16.726 -13.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.427 16.379 -14.621 1.00 0.00 H new ATOM 209 N VAL A 14 1.540 18.593 -9.707 1.00 0.00 N ATOM 210 CA VAL A 14 2.224 19.606 -8.881 1.00 0.00 C ATOM 211 C VAL A 14 3.549 20.066 -9.516 1.00 0.00 C ATOM 212 O VAL A 14 3.704 21.265 -9.725 1.00 0.00 O ATOM 213 CB VAL A 14 2.395 19.155 -7.417 1.00 0.00 C ATOM 214 CG1 VAL A 14 3.326 20.058 -6.590 1.00 0.00 C ATOM 215 CG2 VAL A 14 1.035 19.088 -6.698 1.00 0.00 C ATOM 0 H VAL A 14 1.462 17.682 -9.255 1.00 0.00 H new ATOM 0 HA VAL A 14 1.572 20.479 -8.852 1.00 0.00 H new ATOM 0 HB VAL A 14 2.854 18.168 -7.482 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.395 19.675 -5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.318 20.068 -7.041 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.926 21.072 -6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.184 18.767 -5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.569 20.073 -6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.388 18.376 -7.210 1.00 0.00 H new ATOM 225 N VAL A 15 4.476 19.165 -9.874 1.00 0.00 N ATOM 226 CA VAL A 15 5.814 19.564 -10.376 1.00 0.00 C ATOM 227 C VAL A 15 5.790 20.156 -11.796 1.00 0.00 C ATOM 228 O VAL A 15 6.697 20.908 -12.148 1.00 0.00 O ATOM 229 CB VAL A 15 6.897 18.460 -10.280 1.00 0.00 C ATOM 230 CG1 VAL A 15 7.087 17.981 -8.829 1.00 0.00 C ATOM 231 CG2 VAL A 15 6.644 17.272 -11.219 1.00 0.00 C ATOM 0 H VAL A 15 4.331 18.156 -9.828 1.00 0.00 H new ATOM 0 HA VAL A 15 6.103 20.355 -9.684 1.00 0.00 H new ATOM 0 HB VAL A 15 7.823 18.926 -10.616 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.854 17.207 -8.799 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.395 18.821 -8.206 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.147 17.576 -8.454 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.440 16.538 -11.099 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.687 16.812 -10.974 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.625 17.622 -12.251 1.00 0.00 H new ATOM 241 N THR A 16 4.753 19.869 -12.601 1.00 0.00 N ATOM 242 CA THR A 16 4.524 20.538 -13.899 1.00 0.00 C ATOM 243 C THR A 16 3.868 21.911 -13.740 1.00 0.00 C ATOM 244 O THR A 16 4.168 22.814 -14.519 1.00 0.00 O ATOM 245 CB THR A 16 3.716 19.666 -14.870 1.00 0.00 C ATOM 246 OG1 THR A 16 2.527 19.218 -14.266 1.00 0.00 O ATOM 247 CG2 THR A 16 4.516 18.444 -15.327 1.00 0.00 C ATOM 0 H THR A 16 4.049 19.167 -12.373 1.00 0.00 H new ATOM 0 HA THR A 16 5.513 20.690 -14.331 1.00 0.00 H new ATOM 0 HB THR A 16 3.485 20.288 -15.735 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.718 18.434 -13.710 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.913 17.850 -16.013 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.424 18.772 -15.833 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.782 17.838 -14.461 1.00 0.00 H new ATOM 255 N SER A 17 3.028 22.106 -12.718 1.00 0.00 N ATOM 256 CA SER A 17 2.425 23.419 -12.411 1.00 0.00 C ATOM 257 C SER A 17 3.405 24.374 -11.700 1.00 0.00 C ATOM 258 O SER A 17 3.429 25.573 -11.988 1.00 0.00 O ATOM 259 CB SER A 17 1.172 23.237 -11.533 1.00 0.00 C ATOM 260 OG SER A 17 0.206 22.397 -12.149 1.00 0.00 O ATOM 0 H SER A 17 2.744 21.364 -12.078 1.00 0.00 H new ATOM 0 HA SER A 17 2.157 23.869 -13.367 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.462 22.812 -10.572 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.728 24.211 -11.329 1.00 0.00 H new ATOM 0 HG SER A 17 0.413 21.460 -11.951 1.00 0.00 H new ATOM 266 N HIS A 18 4.233 23.851 -10.789 1.00 0.00 N ATOM 267 CA HIS A 18 5.206 24.588 -9.976 1.00 0.00 C ATOM 268 C HIS A 18 6.500 23.761 -9.871 1.00 0.00 C ATOM 269 O HIS A 18 6.563 22.798 -9.107 1.00 0.00 O ATOM 270 CB HIS A 18 4.615 24.832 -8.571 1.00 0.00 C ATOM 271 CG HIS A 18 3.331 25.618 -8.583 1.00 0.00 C ATOM 272 ND1 HIS A 18 3.217 26.986 -8.643 1.00 0.00 N ATOM 273 CD2 HIS A 18 2.063 25.101 -8.561 1.00 0.00 C ATOM 274 CE1 HIS A 18 1.906 27.289 -8.661 1.00 0.00 C ATOM 275 NE2 HIS A 18 1.156 26.169 -8.616 1.00 0.00 N ATOM 0 H HIS A 18 4.243 22.851 -10.589 1.00 0.00 H new ATOM 0 HA HIS A 18 5.430 25.549 -10.438 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.438 23.871 -8.089 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.349 25.362 -7.965 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.988 27.653 -8.669 1.00 0.00 H new ATOM 0 HD2 HIS A 18 1.806 24.053 -8.510 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.509 28.292 -8.705 1.00 0.00 H new ATOM 283 N LYS A 19 7.546 24.110 -10.633 1.00 0.00 N ATOM 284 CA LYS A 19 8.736 23.248 -10.753 1.00 0.00 C ATOM 285 C LYS A 19 9.451 23.006 -9.415 1.00 0.00 C ATOM 286 O LYS A 19 9.903 21.895 -9.164 1.00 0.00 O ATOM 287 CB LYS A 19 9.673 23.822 -11.831 1.00 0.00 C ATOM 288 CG LYS A 19 10.824 22.847 -12.145 1.00 0.00 C ATOM 289 CD LYS A 19 11.771 23.367 -13.231 1.00 0.00 C ATOM 290 CE LYS A 19 11.142 23.372 -14.637 1.00 0.00 C ATOM 291 NZ LYS A 19 11.727 22.314 -15.504 1.00 0.00 N ATOM 0 H LYS A 19 7.595 24.975 -11.172 1.00 0.00 H new ATOM 0 HA LYS A 19 8.405 22.257 -11.065 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.106 24.024 -12.740 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.082 24.774 -11.492 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.393 22.660 -11.234 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.407 21.891 -12.462 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.083 24.380 -12.977 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.670 22.751 -13.245 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.066 23.222 -14.555 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.293 24.347 -15.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.245 22.314 -16.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.740 22.501 -15.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.606 21.386 -15.050 1.00 0.00 H new ATOM 305 N VAL A 20 9.538 24.025 -8.559 1.00 0.00 N ATOM 306 CA VAL A 20 10.084 23.933 -7.188 1.00 0.00 C ATOM 307 C VAL A 20 8.924 23.818 -6.193 1.00 0.00 C ATOM 308 O VAL A 20 7.952 24.560 -6.307 1.00 0.00 O ATOM 309 CB VAL A 20 10.949 25.171 -6.862 1.00 0.00 C ATOM 310 CG1 VAL A 20 11.460 25.143 -5.421 1.00 0.00 C ATOM 311 CG2 VAL A 20 12.162 25.297 -7.799 1.00 0.00 C ATOM 0 H VAL A 20 9.225 24.966 -8.798 1.00 0.00 H new ATOM 0 HA VAL A 20 10.718 23.050 -7.113 1.00 0.00 H new ATOM 0 HB VAL A 20 10.293 26.030 -7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.064 26.031 -5.232 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.613 25.127 -4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.068 24.251 -5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.739 26.182 -7.530 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.790 24.411 -7.702 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.818 25.387 -8.829 1.00 0.00 H new ATOM 321 N VAL A 21 9.029 22.931 -5.199 1.00 0.00 N ATOM 322 CA VAL A 21 7.945 22.706 -4.224 1.00 0.00 C ATOM 323 C VAL A 21 8.460 22.130 -2.901 1.00 0.00 C ATOM 324 O VAL A 21 9.290 21.229 -2.901 1.00 0.00 O ATOM 325 CB VAL A 21 6.823 21.830 -4.843 1.00 0.00 C ATOM 326 CG1 VAL A 21 7.338 20.495 -5.404 1.00 0.00 C ATOM 327 CG2 VAL A 21 5.674 21.596 -3.848 1.00 0.00 C ATOM 0 H VAL A 21 9.855 22.353 -5.044 1.00 0.00 H new ATOM 0 HA VAL A 21 7.515 23.678 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 21 6.437 22.398 -5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.505 19.930 -5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.073 20.688 -6.185 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.802 19.919 -4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.907 20.979 -4.316 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.057 21.089 -2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.242 22.554 -3.559 1.00 0.00 H new ATOM 337 N LEU A 22 7.962 22.642 -1.770 1.00 0.00 N ATOM 338 CA LEU A 22 8.236 22.107 -0.427 1.00 0.00 C ATOM 339 C LEU A 22 7.088 21.215 0.062 1.00 0.00 C ATOM 340 O LEU A 22 5.913 21.553 -0.099 1.00 0.00 O ATOM 341 CB LEU A 22 8.435 23.268 0.572 1.00 0.00 C ATOM 342 CG LEU A 22 9.824 23.931 0.673 1.00 0.00 C ATOM 343 CD1 LEU A 22 10.844 22.991 1.334 1.00 0.00 C ATOM 344 CD2 LEU A 22 10.341 24.437 -0.678 1.00 0.00 C ATOM 0 H LEU A 22 7.346 23.455 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 22 9.143 21.506 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.715 24.047 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.172 22.899 1.563 1.00 0.00 H new ATOM 0 HG LEU A 22 9.700 24.807 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.813 23.487 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.507 22.737 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.937 22.081 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.322 24.894 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.421 23.601 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.648 25.177 -1.079 1.00 0.00 H new ATOM 356 N PHE A 23 7.437 20.135 0.759 1.00 0.00 N ATOM 357 CA PHE A 23 6.513 19.277 1.496 1.00 0.00 C ATOM 358 C PHE A 23 6.909 19.289 2.976 1.00 0.00 C ATOM 359 O PHE A 23 8.017 18.894 3.339 1.00 0.00 O ATOM 360 CB PHE A 23 6.535 17.872 0.885 1.00 0.00 C ATOM 361 CG PHE A 23 5.965 17.832 -0.523 1.00 0.00 C ATOM 362 CD1 PHE A 23 4.570 17.871 -0.711 1.00 0.00 C ATOM 363 CD2 PHE A 23 6.818 17.784 -1.642 1.00 0.00 C ATOM 364 CE1 PHE A 23 4.031 17.859 -2.009 1.00 0.00 C ATOM 365 CE2 PHE A 23 6.274 17.759 -2.941 1.00 0.00 C ATOM 366 CZ PHE A 23 4.882 17.805 -3.125 1.00 0.00 C ATOM 0 H PHE A 23 8.406 19.823 0.828 1.00 0.00 H new ATOM 0 HA PHE A 23 5.488 19.641 1.425 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.561 17.505 0.867 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.965 17.195 1.522 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.912 17.910 0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.889 17.766 -1.504 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.961 17.891 -2.148 1.00 0.00 H new ATOM 0 HE2 PHE A 23 6.929 17.704 -3.798 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.467 17.799 -4.122 1.00 0.00 H new ATOM 376 N MET A 24 6.018 19.807 3.824 1.00 0.00 N ATOM 377 CA MET A 24 6.283 20.110 5.242 1.00 0.00 C ATOM 378 C MET A 24 5.028 19.871 6.086 1.00 0.00 C ATOM 379 O MET A 24 3.955 19.625 5.552 1.00 0.00 O ATOM 380 CB MET A 24 6.721 21.587 5.389 1.00 0.00 C ATOM 381 CG MET A 24 7.799 22.037 4.394 1.00 0.00 C ATOM 382 SD MET A 24 8.386 23.732 4.640 1.00 0.00 S ATOM 383 CE MET A 24 6.966 24.636 3.971 1.00 0.00 C ATOM 0 H MET A 24 5.065 20.035 3.541 1.00 0.00 H new ATOM 0 HA MET A 24 7.078 19.452 5.593 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.846 22.225 5.269 1.00 0.00 H new ATOM 0 HB3 MET A 24 7.093 21.743 6.402 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.648 21.358 4.466 1.00 0.00 H new ATOM 0 HG3 MET A 24 7.403 21.946 3.383 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.274 25.644 3.693 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.586 24.117 3.091 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.182 24.692 4.726 1.00 0.00 H new ATOM 393 N LYS A 25 5.109 20.067 7.403 1.00 0.00 N ATOM 394 CA LYS A 25 3.951 20.072 8.326 1.00 0.00 C ATOM 395 C LYS A 25 3.100 21.375 8.259 1.00 0.00 C ATOM 396 O LYS A 25 2.411 21.733 9.215 1.00 0.00 O ATOM 397 CB LYS A 25 4.468 19.788 9.752 1.00 0.00 C ATOM 398 CG LYS A 25 5.335 18.522 9.864 1.00 0.00 C ATOM 399 CD LYS A 25 5.702 18.196 11.319 1.00 0.00 C ATOM 400 CE LYS A 25 6.632 19.267 11.913 1.00 0.00 C ATOM 401 NZ LYS A 25 7.028 18.936 13.310 1.00 0.00 N ATOM 0 H LYS A 25 5.997 20.231 7.877 1.00 0.00 H new ATOM 0 HA LYS A 25 3.261 19.288 8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.049 20.645 10.094 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.615 19.692 10.424 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.800 17.678 9.428 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.247 18.656 9.282 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.794 18.126 11.919 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.190 17.222 11.364 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.524 19.359 11.294 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.131 20.235 11.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.655 19.680 13.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.178 18.873 13.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.528 18.024 13.322 1.00 0.00 H new ATOM 415 N GLY A 26 3.204 22.123 7.149 1.00 0.00 N ATOM 416 CA GLY A 26 2.570 23.431 6.903 1.00 0.00 C ATOM 417 C GLY A 26 2.705 23.891 5.448 1.00 0.00 C ATOM 418 O GLY A 26 3.462 23.294 4.681 1.00 0.00 O ATOM 0 H GLY A 26 3.764 21.815 6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.513 23.373 7.164 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.020 24.177 7.558 1.00 0.00 H new ATOM 422 N THR A 27 1.962 24.936 5.066 1.00 0.00 N ATOM 423 CA THR A 27 1.946 25.512 3.703 1.00 0.00 C ATOM 424 C THR A 27 2.884 26.718 3.597 1.00 0.00 C ATOM 425 O THR A 27 3.547 27.091 4.561 1.00 0.00 O ATOM 426 CB THR A 27 0.509 25.893 3.303 1.00 0.00 C ATOM 427 OG1 THR A 27 0.071 26.912 4.169 1.00 0.00 O ATOM 428 CG2 THR A 27 -0.463 24.717 3.390 1.00 0.00 C ATOM 0 H THR A 27 1.336 25.422 5.708 1.00 0.00 H new ATOM 0 HA THR A 27 2.310 24.755 3.009 1.00 0.00 H new ATOM 0 HB THR A 27 0.525 26.220 2.263 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.843 27.173 3.932 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.460 25.046 3.096 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.132 23.921 2.722 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.491 24.343 4.414 1.00 0.00 H new ATOM 436 N LYS A 28 2.894 27.390 2.441 1.00 0.00 N ATOM 437 CA LYS A 28 3.579 28.686 2.254 1.00 0.00 C ATOM 438 C LYS A 28 2.990 29.845 3.090 1.00 0.00 C ATOM 439 O LYS A 28 3.622 30.896 3.200 1.00 0.00 O ATOM 440 CB LYS A 28 3.720 29.043 0.750 1.00 0.00 C ATOM 441 CG LYS A 28 2.586 28.652 -0.218 1.00 0.00 C ATOM 442 CD LYS A 28 1.212 29.252 0.125 1.00 0.00 C ATOM 443 CE LYS A 28 0.208 29.088 -1.031 1.00 0.00 C ATOM 444 NZ LYS A 28 -0.061 27.667 -1.389 1.00 0.00 N ATOM 0 H LYS A 28 2.426 27.053 1.600 1.00 0.00 H new ATOM 0 HA LYS A 28 4.583 28.549 2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.857 30.122 0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.638 28.581 0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.863 28.965 -1.225 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.499 27.566 -0.234 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.818 28.769 1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.326 30.310 0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.731 29.569 -0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.589 29.610 -1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.757 27.629 -2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.823 27.213 -1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.437 27.165 -0.559 1.00 0.00 H new ATOM 458 N ASP A 29 1.817 29.662 3.713 1.00 0.00 N ATOM 459 CA ASP A 29 1.256 30.611 4.685 1.00 0.00 C ATOM 460 C ASP A 29 1.972 30.540 6.053 1.00 0.00 C ATOM 461 O ASP A 29 2.074 31.557 6.743 1.00 0.00 O ATOM 462 CB ASP A 29 -0.250 30.337 4.823 1.00 0.00 C ATOM 463 CG ASP A 29 -1.000 31.460 5.563 1.00 0.00 C ATOM 464 OD1 ASP A 29 -0.830 32.649 5.199 1.00 0.00 O ATOM 465 OD2 ASP A 29 -1.810 31.143 6.467 1.00 0.00 O ATOM 0 H ASP A 29 1.227 28.845 3.555 1.00 0.00 H new ATOM 0 HA ASP A 29 1.413 31.626 4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.683 30.211 3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.396 29.398 5.356 1.00 0.00 H new ATOM 470 N PHE A 30 2.526 29.366 6.405 1.00 0.00 N ATOM 471 CA PHE A 30 3.351 29.128 7.598 1.00 0.00 C ATOM 472 C PHE A 30 4.448 28.071 7.315 1.00 0.00 C ATOM 473 O PHE A 30 4.294 26.906 7.707 1.00 0.00 O ATOM 474 CB PHE A 30 2.453 28.704 8.781 1.00 0.00 C ATOM 475 CG PHE A 30 1.577 29.800 9.364 1.00 0.00 C ATOM 476 CD1 PHE A 30 2.144 30.773 10.209 1.00 0.00 C ATOM 477 CD2 PHE A 30 0.195 29.839 9.088 1.00 0.00 C ATOM 478 CE1 PHE A 30 1.338 31.780 10.774 1.00 0.00 C ATOM 479 CE2 PHE A 30 -0.611 30.845 9.654 1.00 0.00 C ATOM 480 CZ PHE A 30 -0.040 31.816 10.496 1.00 0.00 C ATOM 0 H PHE A 30 2.405 28.524 5.842 1.00 0.00 H new ATOM 0 HA PHE A 30 3.858 30.055 7.864 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.811 27.887 8.452 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.089 28.311 9.574 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.202 30.747 10.425 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.246 29.095 8.441 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.778 32.525 11.421 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.670 30.871 9.441 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.659 32.588 10.928 1.00 0.00 H new ATOM 490 N PRO A 31 5.565 28.446 6.650 1.00 0.00 N ATOM 491 CA PRO A 31 6.702 27.552 6.434 1.00 0.00 C ATOM 492 C PRO A 31 7.287 27.098 7.778 1.00 0.00 C ATOM 493 O PRO A 31 7.443 27.901 8.701 1.00 0.00 O ATOM 494 CB PRO A 31 7.710 28.316 5.566 1.00 0.00 C ATOM 495 CG PRO A 31 6.892 29.461 4.970 1.00 0.00 C ATOM 496 CD PRO A 31 5.829 29.736 6.032 1.00 0.00 C ATOM 0 HA PRO A 31 6.409 26.637 5.919 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.545 28.689 6.159 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.130 27.679 4.788 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.509 30.340 4.784 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.443 29.179 4.017 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.184 30.459 6.766 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.925 30.151 5.586 1.00 0.00 H new ATOM 504 N GLN A 32 7.593 25.804 7.890 1.00 0.00 N ATOM 505 CA GLN A 32 7.942 25.162 9.161 1.00 0.00 C ATOM 506 C GLN A 32 9.423 25.353 9.527 1.00 0.00 C ATOM 507 O GLN A 32 10.277 24.619 9.032 1.00 0.00 O ATOM 508 CB GLN A 32 7.566 23.671 9.075 1.00 0.00 C ATOM 509 CG GLN A 32 6.065 23.425 8.831 1.00 0.00 C ATOM 510 CD GLN A 32 5.189 23.879 10.003 1.00 0.00 C ATOM 511 OE1 GLN A 32 5.152 23.258 11.055 1.00 0.00 O ATOM 512 NE2 GLN A 32 4.470 24.977 9.879 1.00 0.00 N ATOM 0 H GLN A 32 7.606 25.166 7.095 1.00 0.00 H new ATOM 0 HA GLN A 32 7.378 25.638 9.963 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.137 23.207 8.271 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.861 23.177 10.001 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.757 23.953 7.928 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.900 22.363 8.651 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.492 25.505 9.007 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.892 25.299 10.656 1.00 0.00 H new ATOM 521 N CYS A 33 9.701 26.330 10.403 1.00 0.00 N ATOM 522 CA CYS A 33 10.999 26.666 11.023 1.00 0.00 C ATOM 523 C CYS A 33 11.807 27.679 10.181 1.00 0.00 C ATOM 524 O CYS A 33 11.587 27.843 8.976 1.00 0.00 O ATOM 525 CB CYS A 33 11.790 25.389 11.387 1.00 0.00 C ATOM 526 SG CYS A 33 13.061 25.732 12.643 1.00 0.00 S ATOM 0 H CYS A 33 8.966 26.959 10.725 1.00 0.00 H new ATOM 0 HA CYS A 33 10.798 27.179 11.963 1.00 0.00 H new ATOM 0 HB2 CYS A 33 11.104 24.628 11.759 1.00 0.00 H new ATOM 0 HB3 CYS A 33 12.261 24.983 10.492 1.00 0.00 H new ATOM 0 HG CYS A 33 13.701 24.636 12.923 1.00 0.00 H new ATOM 532 N GLY A 34 12.779 28.345 10.812 1.00 0.00 N ATOM 533 CA GLY A 34 13.594 29.414 10.212 1.00 0.00 C ATOM 534 C GLY A 34 14.407 28.952 9.005 1.00 0.00 C ATOM 535 O GLY A 34 14.572 29.721 8.059 1.00 0.00 O ATOM 0 H GLY A 34 13.030 28.152 11.782 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.941 30.232 9.909 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.272 29.811 10.967 1.00 0.00 H new ATOM 539 N PHE A 35 14.828 27.683 8.977 1.00 0.00 N ATOM 540 CA PHE A 35 15.468 27.068 7.808 1.00 0.00 C ATOM 541 C PHE A 35 14.512 27.054 6.614 1.00 0.00 C ATOM 542 O PHE A 35 14.834 27.594 5.562 1.00 0.00 O ATOM 543 CB PHE A 35 15.955 25.652 8.158 1.00 0.00 C ATOM 544 CG PHE A 35 16.948 25.609 9.302 1.00 0.00 C ATOM 545 CD1 PHE A 35 18.276 26.033 9.099 1.00 0.00 C ATOM 546 CD2 PHE A 35 16.547 25.142 10.572 1.00 0.00 C ATOM 547 CE1 PHE A 35 19.196 25.997 10.162 1.00 0.00 C ATOM 548 CE2 PHE A 35 17.468 25.110 11.633 1.00 0.00 C ATOM 549 CZ PHE A 35 18.791 25.538 11.429 1.00 0.00 C ATOM 0 H PHE A 35 14.734 27.049 9.770 1.00 0.00 H new ATOM 0 HA PHE A 35 16.336 27.664 7.524 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.094 25.035 8.414 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.414 25.208 7.275 1.00 0.00 H new ATOM 0 HD1 PHE A 35 18.588 26.386 8.127 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.532 24.809 10.729 1.00 0.00 H new ATOM 0 HE1 PHE A 35 20.214 26.322 10.006 1.00 0.00 H new ATOM 0 HE2 PHE A 35 17.159 24.756 12.606 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.498 25.515 12.245 1.00 0.00 H new ATOM 559 N SER A 36 13.302 26.517 6.771 1.00 0.00 N ATOM 560 CA SER A 36 12.289 26.462 5.701 1.00 0.00 C ATOM 561 C SER A 36 11.880 27.861 5.235 1.00 0.00 C ATOM 562 O SER A 36 11.825 28.117 4.034 1.00 0.00 O ATOM 563 CB SER A 36 11.058 25.700 6.190 1.00 0.00 C ATOM 564 OG SER A 36 11.444 24.438 6.703 1.00 0.00 O ATOM 0 H SER A 36 12.989 26.103 7.649 1.00 0.00 H new ATOM 0 HA SER A 36 12.731 25.943 4.851 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.547 26.275 6.962 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.352 25.568 5.370 1.00 0.00 H new ATOM 0 HG SER A 36 10.910 24.231 7.498 1.00 0.00 H new ATOM 570 N GLN A 37 11.676 28.796 6.171 1.00 0.00 N ATOM 571 CA GLN A 37 11.358 30.203 5.875 1.00 0.00 C ATOM 572 C GLN A 37 12.474 30.856 5.038 1.00 0.00 C ATOM 573 O GLN A 37 12.197 31.503 4.023 1.00 0.00 O ATOM 574 CB GLN A 37 11.113 30.950 7.202 1.00 0.00 C ATOM 575 CG GLN A 37 9.815 30.476 7.888 1.00 0.00 C ATOM 576 CD GLN A 37 9.628 30.962 9.328 1.00 0.00 C ATOM 577 OE1 GLN A 37 10.273 31.885 9.815 1.00 0.00 O ATOM 578 NE2 GLN A 37 8.727 30.344 10.068 1.00 0.00 N ATOM 0 H GLN A 37 11.727 28.596 7.170 1.00 0.00 H new ATOM 0 HA GLN A 37 10.451 30.258 5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.958 30.791 7.871 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.054 32.022 7.012 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.965 30.812 7.294 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.797 29.386 7.883 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.184 29.575 9.675 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.573 30.635 11.033 1.00 0.00 H new ATOM 587 N THR A 38 13.743 30.620 5.403 1.00 0.00 N ATOM 588 CA THR A 38 14.913 31.049 4.623 1.00 0.00 C ATOM 589 C THR A 38 14.932 30.362 3.259 1.00 0.00 C ATOM 590 O THR A 38 15.106 31.027 2.246 1.00 0.00 O ATOM 591 CB THR A 38 16.218 30.818 5.404 1.00 0.00 C ATOM 592 OG1 THR A 38 16.139 31.467 6.654 1.00 0.00 O ATOM 593 CG2 THR A 38 17.427 31.416 4.685 1.00 0.00 C ATOM 0 H THR A 38 13.988 30.120 6.258 1.00 0.00 H new ATOM 0 HA THR A 38 14.835 32.122 4.448 1.00 0.00 H new ATOM 0 HB THR A 38 16.340 29.739 5.503 1.00 0.00 H new ATOM 0 HG1 THR A 38 15.603 30.925 7.270 1.00 0.00 H new ATOM 0 HG21 THR A 38 18.327 31.230 5.271 1.00 0.00 H new ATOM 0 HG22 THR A 38 17.531 30.954 3.703 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.286 32.490 4.568 1.00 0.00 H new ATOM 601 N VAL A 39 14.683 29.054 3.210 1.00 0.00 N ATOM 602 CA VAL A 39 14.673 28.246 1.979 1.00 0.00 C ATOM 603 C VAL A 39 13.595 28.695 0.993 1.00 0.00 C ATOM 604 O VAL A 39 13.915 28.860 -0.181 1.00 0.00 O ATOM 605 CB VAL A 39 14.570 26.739 2.304 1.00 0.00 C ATOM 606 CG1 VAL A 39 14.145 25.854 1.121 1.00 0.00 C ATOM 607 CG2 VAL A 39 15.937 26.263 2.810 1.00 0.00 C ATOM 0 H VAL A 39 14.476 28.507 4.046 1.00 0.00 H new ATOM 0 HA VAL A 39 15.627 28.412 1.479 1.00 0.00 H new ATOM 0 HB VAL A 39 13.785 26.636 3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 39 14.100 24.814 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.163 26.167 0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.871 25.953 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.888 25.200 3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 39 16.689 26.429 2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 39 16.208 26.821 3.706 1.00 0.00 H new ATOM 617 N VAL A 40 12.351 28.950 1.418 1.00 0.00 N ATOM 618 CA VAL A 40 11.313 29.425 0.488 1.00 0.00 C ATOM 619 C VAL A 40 11.645 30.818 -0.076 1.00 0.00 C ATOM 620 O VAL A 40 11.390 31.064 -1.253 1.00 0.00 O ATOM 621 CB VAL A 40 9.887 29.363 1.079 1.00 0.00 C ATOM 622 CG1 VAL A 40 9.469 27.911 1.384 1.00 0.00 C ATOM 623 CG2 VAL A 40 9.664 30.253 2.307 1.00 0.00 C ATOM 0 H VAL A 40 12.040 28.839 2.383 1.00 0.00 H new ATOM 0 HA VAL A 40 11.316 28.725 -0.348 1.00 0.00 H new ATOM 0 HB VAL A 40 9.245 29.770 0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.461 27.902 1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.488 27.326 0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.162 27.477 2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.636 30.145 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.348 29.954 3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.850 31.294 2.041 1.00 0.00 H new ATOM 633 N GLN A 41 12.275 31.703 0.717 1.00 0.00 N ATOM 634 CA GLN A 41 12.803 32.985 0.215 1.00 0.00 C ATOM 635 C GLN A 41 13.976 32.788 -0.764 1.00 0.00 C ATOM 636 O GLN A 41 13.987 33.407 -1.827 1.00 0.00 O ATOM 637 CB GLN A 41 13.202 33.877 1.404 1.00 0.00 C ATOM 638 CG GLN A 41 11.974 34.396 2.170 1.00 0.00 C ATOM 639 CD GLN A 41 12.374 35.088 3.474 1.00 0.00 C ATOM 640 OE1 GLN A 41 12.487 36.305 3.563 1.00 0.00 O ATOM 641 NE2 GLN A 41 12.613 34.336 4.529 1.00 0.00 N ATOM 0 H GLN A 41 12.432 31.553 1.714 1.00 0.00 H new ATOM 0 HA GLN A 41 12.016 33.481 -0.352 1.00 0.00 H new ATOM 0 HB2 GLN A 41 13.841 33.312 2.083 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.788 34.722 1.043 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.421 35.094 1.542 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.304 33.565 2.389 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.521 33.322 4.464 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.890 34.768 5.411 1.00 0.00 H new ATOM 650 N ILE A 42 14.922 31.893 -0.454 1.00 0.00 N ATOM 651 CA ILE A 42 16.073 31.525 -1.310 1.00 0.00 C ATOM 652 C ILE A 42 15.610 31.072 -2.696 1.00 0.00 C ATOM 653 O ILE A 42 16.084 31.591 -3.705 1.00 0.00 O ATOM 654 CB ILE A 42 16.926 30.445 -0.576 1.00 0.00 C ATOM 655 CG1 ILE A 42 17.919 31.138 0.381 1.00 0.00 C ATOM 656 CG2 ILE A 42 17.644 29.428 -1.489 1.00 0.00 C ATOM 657 CD1 ILE A 42 18.658 30.177 1.321 1.00 0.00 C ATOM 0 H ILE A 42 14.913 31.383 0.429 1.00 0.00 H new ATOM 0 HA ILE A 42 16.702 32.399 -1.478 1.00 0.00 H new ATOM 0 HB ILE A 42 16.216 29.835 -0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.652 31.687 -0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.378 31.871 0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 42 18.207 28.724 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 42 16.906 28.886 -2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.326 29.956 -2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.336 30.743 1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.935 29.645 1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 42 19.229 29.459 0.732 1.00 0.00 H new ATOM 669 N LEU A 43 14.670 30.129 -2.752 1.00 0.00 N ATOM 670 CA LEU A 43 14.183 29.521 -3.993 1.00 0.00 C ATOM 671 C LEU A 43 13.447 30.546 -4.863 1.00 0.00 C ATOM 672 O LEU A 43 13.763 30.707 -6.044 1.00 0.00 O ATOM 673 CB LEU A 43 13.282 28.331 -3.619 1.00 0.00 C ATOM 674 CG LEU A 43 14.038 27.162 -2.946 1.00 0.00 C ATOM 675 CD1 LEU A 43 13.033 26.235 -2.256 1.00 0.00 C ATOM 676 CD2 LEU A 43 14.919 26.387 -3.935 1.00 0.00 C ATOM 0 H LEU A 43 14.215 29.757 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 43 15.022 29.166 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.497 28.679 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.790 27.963 -4.519 1.00 0.00 H new ATOM 0 HG LEU A 43 14.714 27.582 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.565 25.411 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.482 26.794 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.336 25.839 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.428 25.577 -3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.297 25.972 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.659 27.060 -4.368 1.00 0.00 H new ATOM 688 N LYS A 44 12.512 31.292 -4.261 1.00 0.00 N ATOM 689 CA LYS A 44 11.810 32.397 -4.921 1.00 0.00 C ATOM 690 C LYS A 44 12.812 33.383 -5.547 1.00 0.00 C ATOM 691 O LYS A 44 12.700 33.684 -6.734 1.00 0.00 O ATOM 692 CB LYS A 44 10.880 33.080 -3.897 1.00 0.00 C ATOM 693 CG LYS A 44 9.966 34.119 -4.573 1.00 0.00 C ATOM 694 CD LYS A 44 9.059 34.870 -3.586 1.00 0.00 C ATOM 695 CE LYS A 44 9.852 35.835 -2.690 1.00 0.00 C ATOM 696 NZ LYS A 44 8.948 36.653 -1.836 1.00 0.00 N ATOM 0 H LYS A 44 12.220 31.144 -3.295 1.00 0.00 H new ATOM 0 HA LYS A 44 11.200 32.015 -5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.270 32.327 -3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.479 33.566 -3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.583 34.840 -5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.345 33.617 -5.315 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.305 35.428 -4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.529 34.150 -2.962 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.536 35.268 -2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.461 36.492 -3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.515 37.293 -1.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.312 37.212 -2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.385 36.026 -1.227 1.00 0.00 H new ATOM 710 N SER A 45 13.808 33.813 -4.759 1.00 0.00 N ATOM 711 CA SER A 45 14.835 34.808 -5.118 1.00 0.00 C ATOM 712 C SER A 45 15.827 34.330 -6.192 1.00 0.00 C ATOM 713 O SER A 45 16.219 35.124 -7.052 1.00 0.00 O ATOM 714 CB SER A 45 15.634 35.234 -3.872 1.00 0.00 C ATOM 715 OG SER A 45 14.796 35.735 -2.840 1.00 0.00 O ATOM 0 H SER A 45 13.927 33.461 -3.809 1.00 0.00 H new ATOM 0 HA SER A 45 14.282 35.648 -5.538 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.199 34.381 -3.496 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.359 35.998 -4.152 1.00 0.00 H new ATOM 0 HG SER A 45 14.232 35.011 -2.497 1.00 0.00 H new ATOM 721 N LEU A 46 16.207 33.041 -6.191 1.00 0.00 N ATOM 722 CA LEU A 46 16.985 32.418 -7.271 1.00 0.00 C ATOM 723 C LEU A 46 16.244 32.474 -8.616 1.00 0.00 C ATOM 724 O LEU A 46 16.896 32.565 -9.658 1.00 0.00 O ATOM 725 CB LEU A 46 17.325 30.959 -6.900 1.00 0.00 C ATOM 726 CG LEU A 46 18.523 30.802 -5.944 1.00 0.00 C ATOM 727 CD1 LEU A 46 18.614 29.340 -5.484 1.00 0.00 C ATOM 728 CD2 LEU A 46 19.837 31.206 -6.631 1.00 0.00 C ATOM 0 H LEU A 46 15.980 32.398 -5.433 1.00 0.00 H new ATOM 0 HA LEU A 46 17.909 32.984 -7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.449 30.501 -6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.532 30.404 -7.815 1.00 0.00 H new ATOM 0 HG LEU A 46 18.370 31.458 -5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 46 19.460 29.224 -4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 46 17.695 29.063 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.751 28.694 -6.351 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.665 31.085 -5.932 1.00 0.00 H new ATOM 0 HD22 LEU A 46 20.002 30.572 -7.502 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.778 32.248 -6.946 1.00 0.00 H new ATOM 740 N ASN A 47 14.908 32.438 -8.550 1.00 0.00 N ATOM 741 CA ASN A 47 13.885 32.673 -9.577 1.00 0.00 C ATOM 742 C ASN A 47 13.022 31.418 -9.724 1.00 0.00 C ATOM 743 O ASN A 47 13.328 30.539 -10.536 1.00 0.00 O ATOM 744 CB ASN A 47 14.410 33.200 -10.929 1.00 0.00 C ATOM 745 CG ASN A 47 13.266 33.600 -11.856 1.00 0.00 C ATOM 746 OD1 ASN A 47 12.890 32.874 -12.770 1.00 0.00 O ATOM 747 ND2 ASN A 47 12.658 34.752 -11.631 1.00 0.00 N ATOM 0 H ASN A 47 14.462 32.215 -7.660 1.00 0.00 H new ATOM 0 HA ASN A 47 13.272 33.502 -9.223 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.059 34.059 -10.759 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.017 32.432 -11.409 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.875 35.038 -12.218 1.00 0.00 H new ATOM 0 HD22 ASN A 47 12.972 35.354 -10.870 1.00 0.00 H new ATOM 754 N ALA A 48 11.951 31.326 -8.926 1.00 0.00 N ATOM 755 CA ALA A 48 11.033 30.176 -8.986 1.00 0.00 C ATOM 756 C ALA A 48 9.568 30.523 -8.630 1.00 0.00 C ATOM 757 O ALA A 48 9.349 31.151 -7.590 1.00 0.00 O ATOM 758 CB ALA A 48 11.568 29.075 -8.054 1.00 0.00 C ATOM 0 H ALA A 48 11.697 32.030 -8.233 1.00 0.00 H new ATOM 0 HA ALA A 48 11.005 29.834 -10.021 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.900 28.215 -8.086 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.563 28.774 -8.381 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.621 29.456 -7.034 1.00 0.00 H new ATOM 764 N PRO A 49 8.570 30.066 -9.423 1.00 0.00 N ATOM 765 CA PRO A 49 7.149 30.135 -9.085 1.00 0.00 C ATOM 766 C PRO A 49 6.806 28.939 -8.177 1.00 0.00 C ATOM 767 O PRO A 49 6.066 28.028 -8.553 1.00 0.00 O ATOM 768 CB PRO A 49 6.427 30.115 -10.441 1.00 0.00 C ATOM 769 CG PRO A 49 7.314 29.196 -11.282 1.00 0.00 C ATOM 770 CD PRO A 49 8.722 29.496 -10.761 1.00 0.00 C ATOM 0 HA PRO A 49 6.852 31.024 -8.528 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.412 29.728 -10.353 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.352 31.112 -10.874 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.050 28.147 -11.147 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.224 29.413 -12.346 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.322 28.587 -10.727 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.237 30.194 -11.421 1.00 0.00 H new ATOM 778 N PHE A 50 7.427 28.911 -6.993 1.00 0.00 N ATOM 779 CA PHE A 50 7.414 27.771 -6.075 1.00 0.00 C ATOM 780 C PHE A 50 6.043 27.519 -5.410 1.00 0.00 C ATOM 781 O PHE A 50 5.142 28.361 -5.450 1.00 0.00 O ATOM 782 CB PHE A 50 8.534 27.948 -5.028 1.00 0.00 C ATOM 783 CG PHE A 50 8.157 28.835 -3.850 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.057 30.231 -4.012 1.00 0.00 C ATOM 785 CD2 PHE A 50 7.824 28.252 -2.612 1.00 0.00 C ATOM 786 CE1 PHE A 50 7.601 31.033 -2.949 1.00 0.00 C ATOM 787 CE2 PHE A 50 7.363 29.054 -1.555 1.00 0.00 C ATOM 788 CZ PHE A 50 7.248 30.445 -1.722 1.00 0.00 C ATOM 0 H PHE A 50 7.966 29.702 -6.639 1.00 0.00 H new ATOM 0 HA PHE A 50 7.602 26.875 -6.666 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.821 26.966 -4.651 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.411 28.370 -5.519 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.330 30.686 -4.953 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.923 27.185 -2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.522 32.103 -3.076 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.096 28.601 -0.612 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.889 31.060 -0.910 1.00 0.00 H new ATOM 798 N GLU A 51 5.913 26.361 -4.751 1.00 0.00 N ATOM 799 CA GLU A 51 4.779 26.026 -3.880 1.00 0.00 C ATOM 800 C GLU A 51 5.246 25.406 -2.558 1.00 0.00 C ATOM 801 O GLU A 51 6.422 25.110 -2.348 1.00 0.00 O ATOM 802 CB GLU A 51 3.786 25.092 -4.609 1.00 0.00 C ATOM 803 CG GLU A 51 2.521 25.824 -5.080 1.00 0.00 C ATOM 804 CD GLU A 51 1.605 26.329 -3.948 1.00 0.00 C ATOM 805 OE1 GLU A 51 1.943 26.200 -2.746 1.00 0.00 O ATOM 806 OE2 GLU A 51 0.521 26.877 -4.257 1.00 0.00 O ATOM 0 H GLU A 51 6.607 25.616 -4.809 1.00 0.00 H new ATOM 0 HA GLU A 51 4.262 26.955 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.282 24.642 -5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.503 24.278 -3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.818 26.674 -5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.948 25.153 -5.720 1.00 0.00 H new ATOM 813 N SER A 52 4.323 25.202 -1.628 1.00 0.00 N ATOM 814 CA SER A 52 4.582 24.563 -0.334 1.00 0.00 C ATOM 815 C SER A 52 3.306 23.896 0.194 1.00 0.00 C ATOM 816 O SER A 52 2.322 24.581 0.477 1.00 0.00 O ATOM 817 CB SER A 52 5.117 25.601 0.660 1.00 0.00 C ATOM 818 OG SER A 52 6.362 26.133 0.242 1.00 0.00 O ATOM 0 H SER A 52 3.349 25.481 -1.750 1.00 0.00 H new ATOM 0 HA SER A 52 5.337 23.787 -0.460 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.393 26.409 0.767 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.229 25.141 1.642 1.00 0.00 H new ATOM 0 HG SER A 52 6.611 25.743 -0.622 1.00 0.00 H new ATOM 824 N VAL A 53 3.319 22.563 0.315 1.00 0.00 N ATOM 825 CA VAL A 53 2.130 21.734 0.594 1.00 0.00 C ATOM 826 C VAL A 53 2.250 21.078 1.976 1.00 0.00 C ATOM 827 O VAL A 53 3.309 20.559 2.334 1.00 0.00 O ATOM 828 CB VAL A 53 1.954 20.653 -0.503 1.00 0.00 C ATOM 829 CG1 VAL A 53 0.699 19.793 -0.280 1.00 0.00 C ATOM 830 CG2 VAL A 53 1.875 21.273 -1.911 1.00 0.00 C ATOM 0 H VAL A 53 4.174 22.014 0.220 1.00 0.00 H new ATOM 0 HA VAL A 53 1.250 22.377 0.590 1.00 0.00 H new ATOM 0 HB VAL A 53 2.838 20.019 -0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.620 19.051 -1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.771 19.287 0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.185 20.430 -0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.752 20.482 -2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.025 21.953 -1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.793 21.824 -2.118 1.00 0.00 H new ATOM 840 N ASN A 54 1.149 21.076 2.735 1.00 0.00 N ATOM 841 CA ASN A 54 1.082 20.449 4.057 1.00 0.00 C ATOM 842 C ASN A 54 0.859 18.922 3.966 1.00 0.00 C ATOM 843 O ASN A 54 -0.129 18.456 3.398 1.00 0.00 O ATOM 844 CB ASN A 54 -0.007 21.130 4.902 1.00 0.00 C ATOM 845 CG ASN A 54 -0.009 20.661 6.358 1.00 0.00 C ATOM 846 OD1 ASN A 54 0.873 19.940 6.804 1.00 0.00 O ATOM 847 ND2 ASN A 54 -0.988 21.073 7.139 1.00 0.00 N ATOM 0 H ASN A 54 0.274 21.513 2.446 1.00 0.00 H new ATOM 0 HA ASN A 54 2.045 20.588 4.548 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.140 22.210 4.873 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.983 20.929 4.459 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.012 20.791 8.119 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.721 21.674 6.763 1.00 0.00 H new ATOM 854 N ILE A 55 1.763 18.138 4.564 1.00 0.00 N ATOM 855 CA ILE A 55 1.662 16.666 4.678 1.00 0.00 C ATOM 856 C ILE A 55 0.722 16.214 5.807 1.00 0.00 C ATOM 857 O ILE A 55 0.148 15.130 5.738 1.00 0.00 O ATOM 858 CB ILE A 55 3.070 16.045 4.863 1.00 0.00 C ATOM 859 CG1 ILE A 55 3.646 16.342 6.267 1.00 0.00 C ATOM 860 CG2 ILE A 55 3.994 16.477 3.709 1.00 0.00 C ATOM 861 CD1 ILE A 55 5.128 16.049 6.476 1.00 0.00 C ATOM 0 H ILE A 55 2.608 18.512 4.995 1.00 0.00 H new ATOM 0 HA ILE A 55 1.224 16.306 3.747 1.00 0.00 H new ATOM 0 HB ILE A 55 2.990 14.959 4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.473 17.395 6.490 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.079 15.764 6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.981 16.035 3.848 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.575 16.138 2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.081 17.564 3.700 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.408 16.299 7.499 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.319 14.991 6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.719 16.647 5.782 1.00 0.00 H new ATOM 873 N LEU A 56 0.571 17.025 6.859 1.00 0.00 N ATOM 874 CA LEU A 56 -0.278 16.736 8.012 1.00 0.00 C ATOM 875 C LEU A 56 -1.751 16.966 7.642 1.00 0.00 C ATOM 876 O LEU A 56 -2.069 17.759 6.757 1.00 0.00 O ATOM 877 CB LEU A 56 0.217 17.559 9.229 1.00 0.00 C ATOM 878 CG LEU A 56 1.095 16.786 10.236 1.00 0.00 C ATOM 879 CD1 LEU A 56 0.284 15.752 11.031 1.00 0.00 C ATOM 880 CD2 LEU A 56 2.291 16.108 9.556 1.00 0.00 C ATOM 0 H LEU A 56 1.050 17.923 6.931 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.208 15.688 8.304 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.783 18.415 8.862 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.651 17.953 9.757 1.00 0.00 H new ATOM 0 HG LEU A 56 1.478 17.529 10.935 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.941 15.231 11.727 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.506 16.258 11.587 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.160 15.032 10.344 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.881 15.576 10.303 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.932 15.402 8.807 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.912 16.863 9.074 1.00 0.00 H new ATOM 892 N GLU A 57 -2.630 16.181 8.273 1.00 0.00 N ATOM 893 CA GLU A 57 -4.068 16.039 7.956 1.00 0.00 C ATOM 894 C GLU A 57 -4.315 15.390 6.568 1.00 0.00 C ATOM 895 O GLU A 57 -5.456 15.307 6.110 1.00 0.00 O ATOM 896 CB GLU A 57 -4.836 17.370 8.115 1.00 0.00 C ATOM 897 CG GLU A 57 -4.658 18.008 9.500 1.00 0.00 C ATOM 898 CD GLU A 57 -5.569 19.233 9.662 1.00 0.00 C ATOM 899 OE1 GLU A 57 -6.731 19.072 10.108 1.00 0.00 O ATOM 900 OE2 GLU A 57 -5.130 20.367 9.358 1.00 0.00 O ATOM 0 H GLU A 57 -2.351 15.595 9.060 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.473 15.348 8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.497 18.071 7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.897 17.194 7.937 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.887 17.275 10.274 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.618 18.303 9.638 1.00 0.00 H new ATOM 907 N ASN A 58 -3.254 14.920 5.894 1.00 0.00 N ATOM 908 CA ASN A 58 -3.249 14.392 4.523 1.00 0.00 C ATOM 909 C ASN A 58 -2.419 13.090 4.459 1.00 0.00 C ATOM 910 O ASN A 58 -1.437 12.990 3.726 1.00 0.00 O ATOM 911 CB ASN A 58 -2.723 15.482 3.563 1.00 0.00 C ATOM 912 CG ASN A 58 -3.676 16.663 3.411 1.00 0.00 C ATOM 913 OD1 ASN A 58 -4.518 16.687 2.519 1.00 0.00 O ATOM 914 ND2 ASN A 58 -3.576 17.681 4.251 1.00 0.00 N ATOM 0 H ASN A 58 -2.325 14.897 6.315 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.261 14.134 4.210 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.762 15.844 3.928 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.546 15.039 2.583 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.198 18.484 4.156 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.877 17.663 4.993 1.00 0.00 H new ATOM 921 N GLU A 59 -2.797 12.085 5.261 1.00 0.00 N ATOM 922 CA GLU A 59 -2.021 10.850 5.505 1.00 0.00 C ATOM 923 C GLU A 59 -1.573 10.115 4.224 1.00 0.00 C ATOM 924 O GLU A 59 -0.440 9.630 4.156 1.00 0.00 O ATOM 925 CB GLU A 59 -2.853 9.925 6.412 1.00 0.00 C ATOM 926 CG GLU A 59 -2.067 8.711 6.927 1.00 0.00 C ATOM 927 CD GLU A 59 -2.901 7.908 7.932 1.00 0.00 C ATOM 928 OE1 GLU A 59 -3.703 7.041 7.505 1.00 0.00 O ATOM 929 OE2 GLU A 59 -2.765 8.133 9.159 1.00 0.00 O ATOM 0 H GLU A 59 -3.677 12.105 5.776 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.090 11.141 5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.222 10.498 7.263 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.726 9.576 5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.785 8.073 6.090 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.143 9.044 7.399 1.00 0.00 H new ATOM 936 N LEU A 60 -2.420 10.098 3.185 1.00 0.00 N ATOM 937 CA LEU A 60 -2.117 9.498 1.878 1.00 0.00 C ATOM 938 C LEU A 60 -0.885 10.144 1.224 1.00 0.00 C ATOM 939 O LEU A 60 -0.016 9.441 0.714 1.00 0.00 O ATOM 940 CB LEU A 60 -3.374 9.621 0.992 1.00 0.00 C ATOM 941 CG LEU A 60 -3.268 8.961 -0.398 1.00 0.00 C ATOM 942 CD1 LEU A 60 -3.040 7.445 -0.307 1.00 0.00 C ATOM 943 CD2 LEU A 60 -4.558 9.232 -1.186 1.00 0.00 C ATOM 0 H LEU A 60 -3.353 10.509 3.231 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.863 8.446 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.217 9.179 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.601 10.678 0.857 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.406 9.395 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.972 7.026 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.113 7.248 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.873 6.983 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.488 8.767 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.408 8.814 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.695 10.307 -1.302 1.00 0.00 H new ATOM 955 N LEU A 61 -0.780 11.477 1.292 1.00 0.00 N ATOM 956 CA LEU A 61 0.388 12.239 0.840 1.00 0.00 C ATOM 957 C LEU A 61 1.572 12.058 1.807 1.00 0.00 C ATOM 958 O LEU A 61 2.694 11.846 1.354 1.00 0.00 O ATOM 959 CB LEU A 61 -0.034 13.718 0.680 1.00 0.00 C ATOM 960 CG LEU A 61 1.063 14.643 0.111 1.00 0.00 C ATOM 961 CD1 LEU A 61 1.429 14.293 -1.337 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.602 16.105 0.180 1.00 0.00 C ATOM 0 H LEU A 61 -1.521 12.067 1.671 1.00 0.00 H new ATOM 0 HA LEU A 61 0.736 11.869 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.905 13.765 0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.345 14.100 1.652 1.00 0.00 H new ATOM 0 HG LEU A 61 1.954 14.498 0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.205 14.972 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.797 13.268 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.546 14.390 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.381 16.752 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.310 16.227 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.406 16.376 1.217 1.00 0.00 H new ATOM 974 N ARG A 62 1.325 12.079 3.125 1.00 0.00 N ATOM 975 CA ARG A 62 2.343 11.912 4.176 1.00 0.00 C ATOM 976 C ARG A 62 3.142 10.607 4.012 1.00 0.00 C ATOM 977 O ARG A 62 4.372 10.635 4.059 1.00 0.00 O ATOM 978 CB ARG A 62 1.664 11.978 5.557 1.00 0.00 C ATOM 979 CG ARG A 62 2.648 12.275 6.701 1.00 0.00 C ATOM 980 CD ARG A 62 1.934 12.264 8.059 1.00 0.00 C ATOM 981 NE ARG A 62 2.880 12.557 9.153 1.00 0.00 N ATOM 982 CZ ARG A 62 2.622 12.519 10.456 1.00 0.00 C ATOM 983 NH1 ARG A 62 1.432 12.212 10.927 1.00 0.00 N ATOM 984 NH2 ARG A 62 3.579 12.797 11.315 1.00 0.00 N ATOM 0 H ARG A 62 0.387 12.216 3.501 1.00 0.00 H new ATOM 0 HA ARG A 62 3.063 12.725 4.086 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.893 12.749 5.540 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.163 11.030 5.754 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.446 11.533 6.700 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.115 13.246 6.540 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.132 13.002 8.059 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.472 11.291 8.223 1.00 0.00 H new ATOM 0 HE ARG A 62 3.829 12.815 8.881 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.670 11.993 10.285 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.271 12.193 11.934 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.511 13.040 10.979 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.389 12.770 12.317 1.00 0.00 H new ATOM 998 N GLN A 63 2.464 9.475 3.783 1.00 0.00 N ATOM 999 CA GLN A 63 3.112 8.209 3.439 1.00 0.00 C ATOM 1000 C GLN A 63 3.632 8.245 1.999 1.00 0.00 C ATOM 1001 O GLN A 63 4.790 7.907 1.763 1.00 0.00 O ATOM 1002 CB GLN A 63 2.109 7.056 3.641 1.00 0.00 C ATOM 1003 CG GLN A 63 2.764 5.693 3.348 1.00 0.00 C ATOM 1004 CD GLN A 63 1.819 4.493 3.483 1.00 0.00 C ATOM 1005 OE1 GLN A 63 0.765 4.539 4.110 1.00 0.00 O ATOM 1006 NE2 GLN A 63 2.166 3.362 2.902 1.00 0.00 N ATOM 0 H GLN A 63 1.447 9.414 3.832 1.00 0.00 H new ATOM 0 HA GLN A 63 3.970 8.049 4.092 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.735 7.071 4.665 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.250 7.198 2.986 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.169 5.709 2.336 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.606 5.555 4.027 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.038 3.305 2.377 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.562 2.544 2.978 1.00 0.00 H new ATOM 1015 N GLY A 64 2.796 8.662 1.040 1.00 0.00 N ATOM 1016 CA GLY A 64 3.078 8.546 -0.394 1.00 0.00 C ATOM 1017 C GLY A 64 4.340 9.270 -0.854 1.00 0.00 C ATOM 1018 O GLY A 64 5.065 8.729 -1.683 1.00 0.00 O ATOM 0 H GLY A 64 1.894 9.094 1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.167 7.490 -0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.227 8.938 -0.951 1.00 0.00 H new ATOM 1022 N LEU A 65 4.637 10.447 -0.294 1.00 0.00 N ATOM 1023 CA LEU A 65 5.896 11.165 -0.523 1.00 0.00 C ATOM 1024 C LEU A 65 7.093 10.294 -0.133 1.00 0.00 C ATOM 1025 O LEU A 65 7.932 9.995 -0.977 1.00 0.00 O ATOM 1026 CB LEU A 65 5.886 12.463 0.302 1.00 0.00 C ATOM 1027 CG LEU A 65 4.989 13.571 -0.272 1.00 0.00 C ATOM 1028 CD1 LEU A 65 4.767 14.621 0.820 1.00 0.00 C ATOM 1029 CD2 LEU A 65 5.621 14.235 -1.503 1.00 0.00 C ATOM 0 H LEU A 65 4.002 10.934 0.339 1.00 0.00 H new ATOM 0 HA LEU A 65 5.988 11.405 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.556 12.233 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.906 12.840 0.377 1.00 0.00 H new ATOM 0 HG LEU A 65 4.044 13.129 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.132 15.418 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.284 14.156 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.727 15.037 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.956 15.012 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.578 14.678 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.779 13.486 -2.279 1.00 0.00 H new ATOM 1041 N LYS A 66 7.148 9.839 1.123 1.00 0.00 N ATOM 1042 CA LYS A 66 8.229 8.986 1.631 1.00 0.00 C ATOM 1043 C LYS A 66 8.319 7.645 0.875 1.00 0.00 C ATOM 1044 O LYS A 66 9.423 7.184 0.582 1.00 0.00 O ATOM 1045 CB LYS A 66 8.024 8.811 3.148 1.00 0.00 C ATOM 1046 CG LYS A 66 9.062 7.873 3.785 1.00 0.00 C ATOM 1047 CD LYS A 66 9.134 8.086 5.305 1.00 0.00 C ATOM 1048 CE LYS A 66 10.174 7.144 5.931 1.00 0.00 C ATOM 1049 NZ LYS A 66 10.324 7.382 7.394 1.00 0.00 N ATOM 0 H LYS A 66 6.437 10.054 1.822 1.00 0.00 H new ATOM 0 HA LYS A 66 9.193 9.464 1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.077 9.786 3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.024 8.418 3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.801 6.837 3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.041 8.053 3.342 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.396 9.122 5.521 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.156 7.905 5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.878 6.109 5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.136 7.286 5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.844 6.590 7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.850 8.266 7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.384 7.457 7.832 1.00 0.00 H new ATOM 1063 N GLU A 67 7.178 7.054 0.509 1.00 0.00 N ATOM 1064 CA GLU A 67 7.088 5.827 -0.291 1.00 0.00 C ATOM 1065 C GLU A 67 7.728 5.994 -1.688 1.00 0.00 C ATOM 1066 O GLU A 67 8.367 5.075 -2.203 1.00 0.00 O ATOM 1067 CB GLU A 67 5.601 5.439 -0.433 1.00 0.00 C ATOM 1068 CG GLU A 67 5.368 3.948 -0.690 1.00 0.00 C ATOM 1069 CD GLU A 67 5.528 3.130 0.602 1.00 0.00 C ATOM 1070 OE1 GLU A 67 4.576 3.094 1.419 1.00 0.00 O ATOM 1071 OE2 GLU A 67 6.601 2.512 0.802 1.00 0.00 O ATOM 0 H GLU A 67 6.264 7.426 0.768 1.00 0.00 H new ATOM 0 HA GLU A 67 7.642 5.040 0.221 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.073 5.727 0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.163 6.011 -1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.368 3.798 -1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.074 3.591 -1.440 1.00 0.00 H new ATOM 1078 N TYR A 68 7.577 7.179 -2.292 1.00 0.00 N ATOM 1079 CA TYR A 68 8.059 7.526 -3.634 1.00 0.00 C ATOM 1080 C TYR A 68 9.512 8.048 -3.651 1.00 0.00 C ATOM 1081 O TYR A 68 10.275 7.704 -4.555 1.00 0.00 O ATOM 1082 CB TYR A 68 7.075 8.564 -4.192 1.00 0.00 C ATOM 1083 CG TYR A 68 7.313 9.045 -5.612 1.00 0.00 C ATOM 1084 CD1 TYR A 68 7.093 8.177 -6.698 1.00 0.00 C ATOM 1085 CD2 TYR A 68 7.668 10.387 -5.851 1.00 0.00 C ATOM 1086 CE1 TYR A 68 7.238 8.646 -8.019 1.00 0.00 C ATOM 1087 CE2 TYR A 68 7.803 10.868 -7.168 1.00 0.00 C ATOM 1088 CZ TYR A 68 7.590 9.995 -8.260 1.00 0.00 C ATOM 1089 OH TYR A 68 7.696 10.461 -9.536 1.00 0.00 O ATOM 0 H TYR A 68 7.095 7.955 -1.839 1.00 0.00 H new ATOM 0 HA TYR A 68 8.092 6.631 -4.255 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.072 8.141 -4.141 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.089 9.432 -3.533 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.813 7.150 -6.519 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.838 11.053 -5.018 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.080 7.974 -8.850 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.068 11.900 -7.343 1.00 0.00 H new ATOM 0 HH TYR A 68 7.945 11.409 -9.519 1.00 0.00 H new ATOM 1099 N SER A 69 9.920 8.848 -2.663 1.00 0.00 N ATOM 1100 CA SER A 69 11.259 9.457 -2.598 1.00 0.00 C ATOM 1101 C SER A 69 12.300 8.645 -1.800 1.00 0.00 C ATOM 1102 O SER A 69 13.495 8.754 -2.075 1.00 0.00 O ATOM 1103 CB SER A 69 11.148 10.858 -1.979 1.00 0.00 C ATOM 1104 OG SER A 69 10.847 10.813 -0.594 1.00 0.00 O ATOM 0 H SER A 69 9.325 9.097 -1.873 1.00 0.00 H new ATOM 0 HA SER A 69 11.619 9.489 -3.626 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.086 11.393 -2.127 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.373 11.422 -2.499 1.00 0.00 H new ATOM 0 HG SER A 69 10.990 11.699 -0.199 1.00 0.00 H new ATOM 1110 N SER A 70 11.867 7.855 -0.807 1.00 0.00 N ATOM 1111 CA SER A 70 12.701 7.140 0.182 1.00 0.00 C ATOM 1112 C SER A 70 13.308 8.075 1.266 1.00 0.00 C ATOM 1113 O SER A 70 14.072 7.628 2.128 1.00 0.00 O ATOM 1114 CB SER A 70 13.777 6.280 -0.513 1.00 0.00 C ATOM 1115 OG SER A 70 14.118 5.130 0.252 1.00 0.00 O ATOM 0 H SER A 70 10.872 7.686 -0.660 1.00 0.00 H new ATOM 0 HA SER A 70 12.033 6.467 0.721 1.00 0.00 H new ATOM 0 HB2 SER A 70 13.415 5.969 -1.493 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.670 6.882 -0.680 1.00 0.00 H new ATOM 0 HG SER A 70 14.801 4.612 -0.223 1.00 0.00 H new ATOM 1121 N TRP A 71 12.972 9.376 1.255 1.00 0.00 N ATOM 1122 CA TRP A 71 13.468 10.379 2.207 1.00 0.00 C ATOM 1123 C TRP A 71 13.049 10.055 3.665 1.00 0.00 C ATOM 1124 O TRP A 71 11.875 9.743 3.892 1.00 0.00 O ATOM 1125 CB TRP A 71 12.948 11.756 1.778 1.00 0.00 C ATOM 1126 CG TRP A 71 13.445 12.912 2.585 1.00 0.00 C ATOM 1127 CD1 TRP A 71 12.716 13.624 3.474 1.00 0.00 C ATOM 1128 CD2 TRP A 71 14.790 13.484 2.629 1.00 0.00 C ATOM 1129 NE1 TRP A 71 13.511 14.592 4.055 1.00 0.00 N ATOM 1130 CE2 TRP A 71 14.807 14.531 3.595 1.00 0.00 C ATOM 1131 CE3 TRP A 71 16.011 13.180 1.991 1.00 0.00 C ATOM 1132 CZ2 TRP A 71 15.977 15.227 3.931 1.00 0.00 C ATOM 1133 CZ3 TRP A 71 17.192 13.874 2.313 1.00 0.00 C ATOM 1134 CH2 TRP A 71 17.180 14.890 3.285 1.00 0.00 C ATOM 0 H TRP A 71 12.331 9.767 0.565 1.00 0.00 H new ATOM 0 HA TRP A 71 14.558 10.371 2.193 1.00 0.00 H new ATOM 0 HB2 TRP A 71 13.221 11.919 0.735 1.00 0.00 H new ATOM 0 HB3 TRP A 71 11.859 11.744 1.825 1.00 0.00 H new ATOM 0 HD1 TRP A 71 11.672 13.461 3.696 1.00 0.00 H new ATOM 0 HE1 TRP A 71 13.179 15.270 4.741 1.00 0.00 H new ATOM 0 HE3 TRP A 71 16.040 12.402 1.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 15.955 16.010 4.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 18.114 13.624 1.810 1.00 0.00 H new ATOM 0 HH2 TRP A 71 18.093 15.411 3.535 1.00 0.00 H new ATOM 1145 N PRO A 72 13.958 10.123 4.663 1.00 0.00 N ATOM 1146 CA PRO A 72 13.687 9.620 6.010 1.00 0.00 C ATOM 1147 C PRO A 72 12.727 10.489 6.838 1.00 0.00 C ATOM 1148 O PRO A 72 11.813 9.930 7.450 1.00 0.00 O ATOM 1149 CB PRO A 72 15.059 9.483 6.682 1.00 0.00 C ATOM 1150 CG PRO A 72 15.926 10.509 5.955 1.00 0.00 C ATOM 1151 CD PRO A 72 15.367 10.467 4.536 1.00 0.00 C ATOM 0 HA PRO A 72 13.159 8.669 5.945 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.004 9.692 7.750 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.458 8.474 6.574 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.837 11.501 6.397 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.982 10.241 5.983 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.489 11.430 4.041 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.895 9.729 3.932 1.00 0.00 H new ATOM 1159 N THR A 73 12.913 11.819 6.879 1.00 0.00 N ATOM 1160 CA THR A 73 12.196 12.723 7.805 1.00 0.00 C ATOM 1161 C THR A 73 11.952 14.100 7.194 1.00 0.00 C ATOM 1162 O THR A 73 12.899 14.786 6.812 1.00 0.00 O ATOM 1163 CB THR A 73 12.960 12.907 9.130 1.00 0.00 C ATOM 1164 OG1 THR A 73 14.274 13.347 8.858 1.00 0.00 O ATOM 1165 CG2 THR A 73 13.036 11.637 9.980 1.00 0.00 C ATOM 0 H THR A 73 13.569 12.304 6.267 1.00 0.00 H new ATOM 0 HA THR A 73 11.237 12.243 7.999 1.00 0.00 H new ATOM 0 HB THR A 73 12.400 13.645 9.705 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.254 14.012 8.138 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.588 11.845 10.896 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.028 11.306 10.231 1.00 0.00 H new ATOM 0 HG23 THR A 73 13.546 10.854 9.419 1.00 0.00 H new ATOM 1173 N PHE A 74 10.689 14.532 7.167 1.00 0.00 N ATOM 1174 CA PHE A 74 10.265 15.858 6.696 1.00 0.00 C ATOM 1175 C PHE A 74 10.802 16.995 7.602 1.00 0.00 C ATOM 1176 O PHE A 74 11.039 16.749 8.792 1.00 0.00 O ATOM 1177 CB PHE A 74 8.731 15.857 6.583 1.00 0.00 C ATOM 1178 CG PHE A 74 8.219 14.848 5.572 1.00 0.00 C ATOM 1179 CD1 PHE A 74 8.235 15.156 4.198 1.00 0.00 C ATOM 1180 CD2 PHE A 74 7.773 13.579 5.997 1.00 0.00 C ATOM 1181 CE1 PHE A 74 7.837 14.193 3.253 1.00 0.00 C ATOM 1182 CE2 PHE A 74 7.368 12.619 5.052 1.00 0.00 C ATOM 1183 CZ PHE A 74 7.412 12.922 3.681 1.00 0.00 C ATOM 0 H PHE A 74 9.909 13.955 7.481 1.00 0.00 H new ATOM 0 HA PHE A 74 10.693 16.058 5.714 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.299 15.638 7.559 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.391 16.853 6.300 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.554 16.134 3.869 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.742 13.344 7.051 1.00 0.00 H new ATOM 0 HE1 PHE A 74 7.858 14.429 2.199 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.023 11.650 5.380 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.119 12.178 2.955 1.00 0.00 H new ATOM 1193 N PRO A 75 10.987 18.235 7.090 1.00 0.00 N ATOM 1194 CA PRO A 75 10.594 18.738 5.768 1.00 0.00 C ATOM 1195 C PRO A 75 11.432 18.164 4.616 1.00 0.00 C ATOM 1196 O PRO A 75 12.549 17.684 4.813 1.00 0.00 O ATOM 1197 CB PRO A 75 10.744 20.263 5.861 1.00 0.00 C ATOM 1198 CG PRO A 75 11.857 20.451 6.886 1.00 0.00 C ATOM 1199 CD PRO A 75 11.576 19.319 7.870 1.00 0.00 C ATOM 0 HA PRO A 75 9.576 18.428 5.532 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.008 20.700 4.898 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.818 20.738 6.183 1.00 0.00 H new ATOM 0 HG2 PRO A 75 12.846 20.364 6.435 1.00 0.00 H new ATOM 0 HG3 PRO A 75 11.810 21.429 7.365 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.494 18.992 8.359 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.896 19.647 8.656 1.00 0.00 H new ATOM 1207 N GLN A 76 10.871 18.219 3.404 1.00 0.00 N ATOM 1208 CA GLN A 76 11.479 17.710 2.171 1.00 0.00 C ATOM 1209 C GLN A 76 11.249 18.717 1.032 1.00 0.00 C ATOM 1210 O GLN A 76 10.118 19.117 0.759 1.00 0.00 O ATOM 1211 CB GLN A 76 10.832 16.356 1.834 1.00 0.00 C ATOM 1212 CG GLN A 76 11.410 15.661 0.580 1.00 0.00 C ATOM 1213 CD GLN A 76 10.494 14.544 0.077 1.00 0.00 C ATOM 1214 OE1 GLN A 76 10.847 13.378 0.024 1.00 0.00 O ATOM 1215 NE2 GLN A 76 9.277 14.844 -0.333 1.00 0.00 N ATOM 0 H GLN A 76 9.951 18.632 3.249 1.00 0.00 H new ATOM 0 HA GLN A 76 12.553 17.577 2.301 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.949 15.690 2.689 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.762 16.505 1.690 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.553 16.398 -0.211 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.392 15.249 0.813 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.952 15.810 -0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.661 14.110 -0.682 1.00 0.00 H new ATOM 1224 N LEU A 77 12.323 19.091 0.337 1.00 0.00 N ATOM 1225 CA LEU A 77 12.300 19.935 -0.858 1.00 0.00 C ATOM 1226 C LEU A 77 12.271 19.040 -2.108 1.00 0.00 C ATOM 1227 O LEU A 77 13.104 18.147 -2.247 1.00 0.00 O ATOM 1228 CB LEU A 77 13.551 20.836 -0.789 1.00 0.00 C ATOM 1229 CG LEU A 77 13.548 22.129 -1.630 1.00 0.00 C ATOM 1230 CD1 LEU A 77 14.908 22.802 -1.436 1.00 0.00 C ATOM 1231 CD2 LEU A 77 13.291 21.928 -3.127 1.00 0.00 C ATOM 0 H LEU A 77 13.266 18.805 0.600 1.00 0.00 H new ATOM 0 HA LEU A 77 11.413 20.567 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.708 21.114 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.411 20.240 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 77 12.715 22.739 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.944 23.723 -2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 77 15.052 23.033 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 77 15.698 22.130 -1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.308 22.894 -3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.065 21.286 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.316 21.461 -3.269 1.00 0.00 H new ATOM 1243 N TYR A 78 11.335 19.295 -3.021 1.00 0.00 N ATOM 1244 CA TYR A 78 11.207 18.660 -4.339 1.00 0.00 C ATOM 1245 C TYR A 78 11.415 19.667 -5.480 1.00 0.00 C ATOM 1246 O TYR A 78 10.934 20.805 -5.420 1.00 0.00 O ATOM 1247 CB TYR A 78 9.817 18.014 -4.469 1.00 0.00 C ATOM 1248 CG TYR A 78 9.845 16.508 -4.605 1.00 0.00 C ATOM 1249 CD1 TYR A 78 10.181 15.715 -3.494 1.00 0.00 C ATOM 1250 CD2 TYR A 78 9.543 15.895 -5.838 1.00 0.00 C ATOM 1251 CE1 TYR A 78 10.232 14.314 -3.613 1.00 0.00 C ATOM 1252 CE2 TYR A 78 9.609 14.494 -5.965 1.00 0.00 C ATOM 1253 CZ TYR A 78 9.978 13.701 -4.857 1.00 0.00 C ATOM 1254 OH TYR A 78 10.108 12.351 -4.979 1.00 0.00 O ATOM 0 H TYR A 78 10.604 19.987 -2.856 1.00 0.00 H new ATOM 0 HA TYR A 78 11.983 17.899 -4.419 1.00 0.00 H new ATOM 0 HB2 TYR A 78 9.223 18.278 -3.594 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.312 18.437 -5.337 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.401 16.183 -2.546 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.261 16.501 -6.686 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.466 13.708 -2.751 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.377 14.026 -6.910 1.00 0.00 H new ATOM 0 HH TYR A 78 9.349 11.994 -5.486 1.00 0.00 H new ATOM 1264 N ILE A 79 12.079 19.234 -6.554 1.00 0.00 N ATOM 1265 CA ILE A 79 12.219 20.006 -7.799 1.00 0.00 C ATOM 1266 C ILE A 79 12.052 19.085 -9.019 1.00 0.00 C ATOM 1267 O ILE A 79 12.676 18.025 -9.088 1.00 0.00 O ATOM 1268 CB ILE A 79 13.558 20.789 -7.876 1.00 0.00 C ATOM 1269 CG1 ILE A 79 13.957 21.470 -6.542 1.00 0.00 C ATOM 1270 CG2 ILE A 79 13.406 21.840 -8.994 1.00 0.00 C ATOM 1271 CD1 ILE A 79 15.285 22.238 -6.566 1.00 0.00 C ATOM 0 H ILE A 79 12.542 18.326 -6.588 1.00 0.00 H new ATOM 0 HA ILE A 79 11.425 20.753 -7.803 1.00 0.00 H new ATOM 0 HB ILE A 79 14.362 20.084 -8.088 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.163 22.159 -6.254 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.013 20.706 -5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 79 14.328 22.414 -9.081 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.200 21.338 -9.939 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.582 22.512 -8.753 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.470 22.676 -5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 79 16.096 21.555 -6.817 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.234 23.030 -7.313 1.00 0.00 H new ATOM 1283 N ASP A 80 11.182 19.474 -9.956 1.00 0.00 N ATOM 1284 CA ASP A 80 10.979 18.908 -11.309 1.00 0.00 C ATOM 1285 C ASP A 80 10.402 17.473 -11.361 1.00 0.00 C ATOM 1286 O ASP A 80 9.844 17.068 -12.383 1.00 0.00 O ATOM 1287 CB ASP A 80 12.294 19.009 -12.103 1.00 0.00 C ATOM 1288 CG ASP A 80 12.079 18.848 -13.617 1.00 0.00 C ATOM 1289 OD1 ASP A 80 11.536 19.792 -14.240 1.00 0.00 O ATOM 1290 OD2 ASP A 80 12.496 17.810 -14.183 1.00 0.00 O ATOM 0 H ASP A 80 10.548 20.254 -9.782 1.00 0.00 H new ATOM 0 HA ASP A 80 10.198 19.513 -11.769 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.761 19.974 -11.906 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.986 18.243 -11.754 1.00 0.00 H new ATOM 1295 N GLY A 81 10.503 16.724 -10.258 1.00 0.00 N ATOM 1296 CA GLY A 81 10.117 15.313 -10.128 1.00 0.00 C ATOM 1297 C GLY A 81 10.995 14.481 -9.184 1.00 0.00 C ATOM 1298 O GLY A 81 10.735 13.288 -9.038 1.00 0.00 O ATOM 0 H GLY A 81 10.875 17.104 -9.387 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.086 15.266 -9.776 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.138 14.854 -11.117 1.00 0.00 H new ATOM 1302 N GLU A 82 12.002 15.079 -8.533 1.00 0.00 N ATOM 1303 CA GLU A 82 12.874 14.423 -7.545 1.00 0.00 C ATOM 1304 C GLU A 82 13.084 15.312 -6.307 1.00 0.00 C ATOM 1305 O GLU A 82 12.926 16.535 -6.372 1.00 0.00 O ATOM 1306 CB GLU A 82 14.242 14.094 -8.172 1.00 0.00 C ATOM 1307 CG GLU A 82 14.158 13.060 -9.302 1.00 0.00 C ATOM 1308 CD GLU A 82 15.557 12.667 -9.793 1.00 0.00 C ATOM 1309 OE1 GLU A 82 16.112 13.357 -10.678 1.00 0.00 O ATOM 1310 OE2 GLU A 82 16.110 11.653 -9.302 1.00 0.00 O ATOM 0 H GLU A 82 12.240 16.059 -8.682 1.00 0.00 H new ATOM 0 HA GLU A 82 12.382 13.501 -7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 82 14.686 15.011 -8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 82 14.909 13.720 -7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.630 12.174 -8.950 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.579 13.468 -10.131 1.00 0.00 H new ATOM 1317 N PHE A 83 13.471 14.710 -5.175 1.00 0.00 N ATOM 1318 CA PHE A 83 13.849 15.462 -3.976 1.00 0.00 C ATOM 1319 C PHE A 83 15.265 16.055 -4.095 1.00 0.00 C ATOM 1320 O PHE A 83 16.175 15.436 -4.656 1.00 0.00 O ATOM 1321 CB PHE A 83 13.669 14.616 -2.705 1.00 0.00 C ATOM 1322 CG PHE A 83 14.732 13.571 -2.443 1.00 0.00 C ATOM 1323 CD1 PHE A 83 14.663 12.303 -3.053 1.00 0.00 C ATOM 1324 CD2 PHE A 83 15.795 13.865 -1.569 1.00 0.00 C ATOM 1325 CE1 PHE A 83 15.653 11.339 -2.791 1.00 0.00 C ATOM 1326 CE2 PHE A 83 16.789 12.907 -1.316 1.00 0.00 C ATOM 1327 CZ PHE A 83 16.717 11.642 -1.923 1.00 0.00 C ATOM 0 H PHE A 83 13.530 13.698 -5.067 1.00 0.00 H new ATOM 0 HA PHE A 83 13.169 16.309 -3.890 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.631 15.289 -1.848 1.00 0.00 H new ATOM 0 HB3 PHE A 83 12.702 14.115 -2.760 1.00 0.00 H new ATOM 0 HD1 PHE A 83 13.848 12.071 -3.723 1.00 0.00 H new ATOM 0 HD2 PHE A 83 15.846 14.832 -1.091 1.00 0.00 H new ATOM 0 HE1 PHE A 83 15.596 10.366 -3.256 1.00 0.00 H new ATOM 0 HE2 PHE A 83 17.610 13.142 -0.654 1.00 0.00 H new ATOM 0 HZ PHE A 83 17.478 10.903 -1.723 1.00 0.00 H new ATOM 1337 N PHE A 84 15.449 17.249 -3.529 1.00 0.00 N ATOM 1338 CA PHE A 84 16.751 17.897 -3.353 1.00 0.00 C ATOM 1339 C PHE A 84 17.361 17.569 -1.979 1.00 0.00 C ATOM 1340 O PHE A 84 18.563 17.315 -1.882 1.00 0.00 O ATOM 1341 CB PHE A 84 16.578 19.413 -3.541 1.00 0.00 C ATOM 1342 CG PHE A 84 17.897 20.165 -3.572 1.00 0.00 C ATOM 1343 CD1 PHE A 84 18.575 20.344 -4.794 1.00 0.00 C ATOM 1344 CD2 PHE A 84 18.468 20.645 -2.378 1.00 0.00 C ATOM 1345 CE1 PHE A 84 19.826 20.989 -4.819 1.00 0.00 C ATOM 1346 CE2 PHE A 84 19.723 21.281 -2.403 1.00 0.00 C ATOM 1347 CZ PHE A 84 20.402 21.450 -3.623 1.00 0.00 C ATOM 0 H PHE A 84 14.675 17.808 -3.170 1.00 0.00 H new ATOM 0 HA PHE A 84 17.447 17.517 -4.101 1.00 0.00 H new ATOM 0 HB2 PHE A 84 16.039 19.598 -4.470 1.00 0.00 H new ATOM 0 HB3 PHE A 84 15.962 19.805 -2.732 1.00 0.00 H new ATOM 0 HD1 PHE A 84 18.134 19.986 -5.713 1.00 0.00 H new ATOM 0 HD2 PHE A 84 17.942 20.525 -1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 84 20.343 21.129 -5.757 1.00 0.00 H new ATOM 0 HE2 PHE A 84 20.165 21.639 -1.485 1.00 0.00 H new ATOM 0 HZ PHE A 84 21.367 21.935 -3.641 1.00 0.00 H new ATOM 1357 N GLY A 85 16.532 17.542 -0.925 1.00 0.00 N ATOM 1358 CA GLY A 85 16.939 17.244 0.458 1.00 0.00 C ATOM 1359 C GLY A 85 16.128 18.003 1.509 1.00 0.00 C ATOM 1360 O GLY A 85 14.975 18.364 1.271 1.00 0.00 O ATOM 0 H GLY A 85 15.534 17.732 -1.012 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.837 16.173 0.636 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.994 17.488 0.579 1.00 0.00 H new ATOM 1364 N GLY A 86 16.736 18.230 2.679 1.00 0.00 N ATOM 1365 CA GLY A 86 16.157 18.990 3.799 1.00 0.00 C ATOM 1366 C GLY A 86 16.509 20.476 3.750 1.00 0.00 C ATOM 1367 O GLY A 86 17.365 20.902 2.972 1.00 0.00 O ATOM 0 H GLY A 86 17.673 17.881 2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.073 18.877 3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.511 18.568 4.740 1.00 0.00 H new ATOM 1371 N CYS A 87 15.866 21.286 4.594 1.00 0.00 N ATOM 1372 CA CYS A 87 15.999 22.749 4.552 1.00 0.00 C ATOM 1373 C CYS A 87 17.386 23.243 5.005 1.00 0.00 C ATOM 1374 O CYS A 87 18.005 24.052 4.317 1.00 0.00 O ATOM 1375 CB CYS A 87 14.842 23.368 5.357 1.00 0.00 C ATOM 1376 SG CYS A 87 13.277 22.960 4.519 1.00 0.00 S ATOM 0 H CYS A 87 15.239 20.950 5.325 1.00 0.00 H new ATOM 0 HA CYS A 87 15.928 23.083 3.517 1.00 0.00 H new ATOM 0 HB2 CYS A 87 14.839 22.981 6.376 1.00 0.00 H new ATOM 0 HB3 CYS A 87 14.964 24.449 5.427 1.00 0.00 H new ATOM 0 HG CYS A 87 12.281 23.447 5.198 1.00 0.00 H new ATOM 1382 N ASP A 88 17.931 22.707 6.097 1.00 0.00 N ATOM 1383 CA ASP A 88 19.295 23.031 6.549 1.00 0.00 C ATOM 1384 C ASP A 88 20.344 22.640 5.490 1.00 0.00 C ATOM 1385 O ASP A 88 21.218 23.438 5.149 1.00 0.00 O ATOM 1386 CB ASP A 88 19.560 22.322 7.882 1.00 0.00 C ATOM 1387 CG ASP A 88 21.005 22.533 8.369 1.00 0.00 C ATOM 1388 OD1 ASP A 88 21.365 23.682 8.716 1.00 0.00 O ATOM 1389 OD2 ASP A 88 21.767 21.539 8.417 1.00 0.00 O ATOM 0 H ASP A 88 17.446 22.038 6.695 1.00 0.00 H new ATOM 0 HA ASP A 88 19.378 24.108 6.692 1.00 0.00 H new ATOM 0 HB2 ASP A 88 18.865 22.694 8.635 1.00 0.00 H new ATOM 0 HB3 ASP A 88 19.367 21.255 7.770 1.00 0.00 H new ATOM 1394 N ILE A 89 20.183 21.457 4.881 1.00 0.00 N ATOM 1395 CA ILE A 89 21.009 20.995 3.748 1.00 0.00 C ATOM 1396 C ILE A 89 20.890 21.969 2.565 1.00 0.00 C ATOM 1397 O ILE A 89 21.905 22.307 1.957 1.00 0.00 O ATOM 1398 CB ILE A 89 20.634 19.537 3.372 1.00 0.00 C ATOM 1399 CG1 ILE A 89 21.019 18.574 4.524 1.00 0.00 C ATOM 1400 CG2 ILE A 89 21.310 19.094 2.057 1.00 0.00 C ATOM 1401 CD1 ILE A 89 20.395 17.177 4.401 1.00 0.00 C ATOM 0 H ILE A 89 19.469 20.784 5.161 1.00 0.00 H new ATOM 0 HA ILE A 89 22.059 20.987 4.040 1.00 0.00 H new ATOM 0 HB ILE A 89 19.556 19.501 3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 89 22.104 18.475 4.555 1.00 0.00 H new ATOM 0 HG13 ILE A 89 20.712 19.016 5.472 1.00 0.00 H new ATOM 0 HG21 ILE A 89 21.023 18.068 1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 89 20.993 19.749 1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 89 22.393 19.152 2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 89 20.711 16.562 5.243 1.00 0.00 H new ATOM 0 HD12 ILE A 89 19.308 17.263 4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 89 20.722 16.713 3.470 1.00 0.00 H new ATOM 1413 N THR A 90 19.686 22.484 2.291 1.00 0.00 N ATOM 1414 CA THR A 90 19.423 23.486 1.244 1.00 0.00 C ATOM 1415 C THR A 90 20.103 24.816 1.551 1.00 0.00 C ATOM 1416 O THR A 90 20.712 25.383 0.650 1.00 0.00 O ATOM 1417 CB THR A 90 17.919 23.671 1.026 1.00 0.00 C ATOM 1418 OG1 THR A 90 17.370 22.425 0.665 1.00 0.00 O ATOM 1419 CG2 THR A 90 17.619 24.652 -0.111 1.00 0.00 C ATOM 0 H THR A 90 18.846 22.211 2.801 1.00 0.00 H new ATOM 0 HA THR A 90 19.854 23.109 0.317 1.00 0.00 H new ATOM 0 HB THR A 90 17.492 24.064 1.948 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.241 21.879 1.469 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.540 24.752 -0.230 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.050 25.625 0.125 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.053 24.278 -1.038 1.00 0.00 H new ATOM 1427 N VAL A 91 20.064 25.291 2.799 1.00 0.00 N ATOM 1428 CA VAL A 91 20.810 26.495 3.218 1.00 0.00 C ATOM 1429 C VAL A 91 22.322 26.309 3.001 1.00 0.00 C ATOM 1430 O VAL A 91 22.969 27.206 2.461 1.00 0.00 O ATOM 1431 CB VAL A 91 20.503 26.894 4.683 1.00 0.00 C ATOM 1432 CG1 VAL A 91 21.413 28.028 5.194 1.00 0.00 C ATOM 1433 CG2 VAL A 91 19.045 27.361 4.827 1.00 0.00 C ATOM 0 H VAL A 91 19.521 24.860 3.547 1.00 0.00 H new ATOM 0 HA VAL A 91 20.472 27.317 2.587 1.00 0.00 H new ATOM 0 HB VAL A 91 20.685 25.999 5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 91 21.153 28.266 6.225 1.00 0.00 H new ATOM 0 HG12 VAL A 91 22.454 27.708 5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 91 21.276 28.913 4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 91 18.852 27.636 5.864 1.00 0.00 H new ATOM 0 HG22 VAL A 91 18.874 28.225 4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 91 18.374 26.553 4.535 1.00 0.00 H new ATOM 1443 N GLU A 92 22.887 25.150 3.356 1.00 0.00 N ATOM 1444 CA GLU A 92 24.309 24.848 3.125 1.00 0.00 C ATOM 1445 C GLU A 92 24.646 24.707 1.627 1.00 0.00 C ATOM 1446 O GLU A 92 25.701 25.168 1.185 1.00 0.00 O ATOM 1447 CB GLU A 92 24.717 23.576 3.886 1.00 0.00 C ATOM 1448 CG GLU A 92 24.708 23.746 5.413 1.00 0.00 C ATOM 1449 CD GLU A 92 25.786 24.727 5.897 1.00 0.00 C ATOM 1450 OE1 GLU A 92 26.980 24.345 5.941 1.00 0.00 O ATOM 1451 OE2 GLU A 92 25.450 25.886 6.241 1.00 0.00 O ATOM 0 H GLU A 92 22.375 24.394 3.811 1.00 0.00 H new ATOM 0 HA GLU A 92 24.881 25.695 3.504 1.00 0.00 H new ATOM 0 HB2 GLU A 92 24.039 22.767 3.614 1.00 0.00 H new ATOM 0 HB3 GLU A 92 25.715 23.276 3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 92 23.728 24.101 5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 92 24.864 22.776 5.885 1.00 0.00 H new ATOM 1458 N ALA A 93 23.749 24.129 0.821 1.00 0.00 N ATOM 1459 CA ALA A 93 23.899 24.018 -0.632 1.00 0.00 C ATOM 1460 C ALA A 93 23.839 25.385 -1.327 1.00 0.00 C ATOM 1461 O ALA A 93 24.600 25.629 -2.263 1.00 0.00 O ATOM 1462 CB ALA A 93 22.810 23.071 -1.150 1.00 0.00 C ATOM 0 H ALA A 93 22.882 23.718 1.168 1.00 0.00 H new ATOM 0 HA ALA A 93 24.884 23.614 -0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 93 22.899 22.971 -2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 93 22.927 22.093 -0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.828 23.476 -0.903 1.00 0.00 H new ATOM 1468 N TYR A 94 22.985 26.298 -0.859 1.00 0.00 N ATOM 1469 CA TYR A 94 22.929 27.689 -1.324 1.00 0.00 C ATOM 1470 C TYR A 94 24.222 28.454 -1.014 1.00 0.00 C ATOM 1471 O TYR A 94 24.764 29.124 -1.892 1.00 0.00 O ATOM 1472 CB TYR A 94 21.716 28.372 -0.677 1.00 0.00 C ATOM 1473 CG TYR A 94 21.540 29.825 -1.078 1.00 0.00 C ATOM 1474 CD1 TYR A 94 21.080 30.141 -2.369 1.00 0.00 C ATOM 1475 CD2 TYR A 94 21.844 30.858 -0.171 1.00 0.00 C ATOM 1476 CE1 TYR A 94 20.888 31.483 -2.749 1.00 0.00 C ATOM 1477 CE2 TYR A 94 21.667 32.202 -0.547 1.00 0.00 C ATOM 1478 CZ TYR A 94 21.184 32.520 -1.835 1.00 0.00 C ATOM 1479 OH TYR A 94 20.999 33.824 -2.188 1.00 0.00 O ATOM 0 H TYR A 94 22.300 26.089 -0.133 1.00 0.00 H new ATOM 0 HA TYR A 94 22.824 27.694 -2.409 1.00 0.00 H new ATOM 0 HB2 TYR A 94 20.815 27.820 -0.945 1.00 0.00 H new ATOM 0 HB3 TYR A 94 21.815 28.314 0.407 1.00 0.00 H new ATOM 0 HD1 TYR A 94 20.873 29.349 -3.073 1.00 0.00 H new ATOM 0 HD2 TYR A 94 22.214 30.618 0.815 1.00 0.00 H new ATOM 0 HE1 TYR A 94 20.516 31.719 -3.735 1.00 0.00 H new ATOM 0 HE2 TYR A 94 21.901 32.992 0.151 1.00 0.00 H new ATOM 0 HH TYR A 94 21.251 34.404 -1.440 1.00 0.00 H new ATOM 1489 N LYS A 95 24.762 28.285 0.197 1.00 0.00 N ATOM 1490 CA LYS A 95 26.054 28.855 0.619 1.00 0.00 C ATOM 1491 C LYS A 95 27.248 28.233 -0.137 1.00 0.00 C ATOM 1492 O LYS A 95 28.238 28.916 -0.403 1.00 0.00 O ATOM 1493 CB LYS A 95 26.189 28.657 2.141 1.00 0.00 C ATOM 1494 CG LYS A 95 25.228 29.556 2.943 1.00 0.00 C ATOM 1495 CD LYS A 95 25.067 29.083 4.395 1.00 0.00 C ATOM 1496 CE LYS A 95 26.384 29.125 5.182 1.00 0.00 C ATOM 1497 NZ LYS A 95 26.231 28.552 6.544 1.00 0.00 N ATOM 0 H LYS A 95 24.308 27.738 0.929 1.00 0.00 H new ATOM 0 HA LYS A 95 26.072 29.917 0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 95 25.994 27.613 2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 95 27.215 28.869 2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 95 25.600 30.580 2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 95 24.253 29.568 2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 95 24.329 29.709 4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 95 24.678 28.065 4.400 1.00 0.00 H new ATOM 0 HE2 LYS A 95 27.150 28.572 4.639 1.00 0.00 H new ATOM 0 HE3 LYS A 95 26.729 30.156 5.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 27.106 28.705 7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 25.438 29.018 7.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 26.042 27.532 6.472 1.00 0.00 H new ATOM 1511 N SER A 96 27.143 26.961 -0.530 1.00 0.00 N ATOM 1512 CA SER A 96 28.164 26.244 -1.314 1.00 0.00 C ATOM 1513 C SER A 96 28.058 26.497 -2.835 1.00 0.00 C ATOM 1514 O SER A 96 28.983 26.168 -3.580 1.00 0.00 O ATOM 1515 CB SER A 96 28.059 24.734 -1.028 1.00 0.00 C ATOM 1516 OG SER A 96 28.148 24.449 0.363 1.00 0.00 O ATOM 0 H SER A 96 26.331 26.385 -0.310 1.00 0.00 H new ATOM 0 HA SER A 96 29.135 26.630 -1.002 1.00 0.00 H new ATOM 0 HB2 SER A 96 27.113 24.356 -1.416 1.00 0.00 H new ATOM 0 HB3 SER A 96 28.853 24.208 -1.558 1.00 0.00 H new ATOM 0 HG SER A 96 27.249 24.441 0.754 1.00 0.00 H new ATOM 1522 N GLY A 97 26.936 27.063 -3.310 1.00 0.00 N ATOM 1523 CA GLY A 97 26.670 27.369 -4.728 1.00 0.00 C ATOM 1524 C GLY A 97 25.971 26.241 -5.497 1.00 0.00 C ATOM 1525 O GLY A 97 25.600 26.421 -6.656 1.00 0.00 O ATOM 0 H GLY A 97 26.164 27.329 -2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 97 26.055 28.267 -4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 97 27.614 27.598 -5.221 1.00 0.00 H new ATOM 1529 N GLU A 98 25.748 25.094 -4.851 1.00 0.00 N ATOM 1530 CA GLU A 98 25.208 23.876 -5.464 1.00 0.00 C ATOM 1531 C GLU A 98 23.724 24.044 -5.806 1.00 0.00 C ATOM 1532 O GLU A 98 23.314 23.777 -6.936 1.00 0.00 O ATOM 1533 CB GLU A 98 25.420 22.674 -4.529 1.00 0.00 C ATOM 1534 CG GLU A 98 26.894 22.462 -4.150 1.00 0.00 C ATOM 1535 CD GLU A 98 27.082 21.135 -3.405 1.00 0.00 C ATOM 1536 OE1 GLU A 98 26.951 21.115 -2.160 1.00 0.00 O ATOM 1537 OE2 GLU A 98 27.372 20.103 -4.059 1.00 0.00 O ATOM 0 H GLU A 98 25.944 24.983 -3.856 1.00 0.00 H new ATOM 0 HA GLU A 98 25.744 23.692 -6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 98 24.834 22.819 -3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 98 25.041 21.773 -5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 98 27.510 22.469 -5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 98 27.235 23.287 -3.524 1.00 0.00 H new ATOM 1544 N LEU A 99 22.924 24.577 -4.868 1.00 0.00 N ATOM 1545 CA LEU A 99 21.511 24.892 -5.118 1.00 0.00 C ATOM 1546 C LEU A 99 21.370 25.956 -6.213 1.00 0.00 C ATOM 1547 O LEU A 99 20.496 25.839 -7.067 1.00 0.00 O ATOM 1548 CB LEU A 99 20.859 25.371 -3.807 1.00 0.00 C ATOM 1549 CG LEU A 99 19.348 25.669 -3.932 1.00 0.00 C ATOM 1550 CD1 LEU A 99 18.524 24.379 -4.046 1.00 0.00 C ATOM 1551 CD2 LEU A 99 18.910 26.499 -2.727 1.00 0.00 C ATOM 0 H LEU A 99 23.237 24.800 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 99 21.003 23.993 -5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 99 21.007 24.611 -3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 99 21.370 26.271 -3.466 1.00 0.00 H new ATOM 0 HG LEU A 99 19.170 26.233 -4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 99 17.467 24.629 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 99 18.839 23.823 -4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 99 18.681 23.767 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 99 17.845 26.716 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 99 19.102 25.940 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 99 19.470 27.434 -2.706 1.00 0.00 H new ATOM 1563 N GLN A 100 22.241 26.970 -6.199 1.00 0.00 N ATOM 1564 CA GLN A 100 22.215 28.071 -7.172 1.00 0.00 C ATOM 1565 C GLN A 100 22.369 27.517 -8.598 1.00 0.00 C ATOM 1566 O GLN A 100 21.551 27.833 -9.464 1.00 0.00 O ATOM 1567 CB GLN A 100 23.305 29.120 -6.859 1.00 0.00 C ATOM 1568 CG GLN A 100 23.329 29.637 -5.403 1.00 0.00 C ATOM 1569 CD GLN A 100 24.213 30.878 -5.211 1.00 0.00 C ATOM 1570 OE1 GLN A 100 24.348 31.735 -6.075 1.00 0.00 O ATOM 1571 NE2 GLN A 100 24.857 31.036 -4.071 1.00 0.00 N ATOM 0 H GLN A 100 22.988 27.052 -5.510 1.00 0.00 H new ATOM 0 HA GLN A 100 21.251 28.575 -7.099 1.00 0.00 H new ATOM 0 HB2 GLN A 100 24.279 28.687 -7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 100 23.169 29.971 -7.527 1.00 0.00 H new ATOM 0 HG2 GLN A 100 22.311 29.873 -5.092 1.00 0.00 H new ATOM 0 HG3 GLN A 100 23.685 28.841 -4.749 1.00 0.00 H new ATOM 0 HE21 GLN A 100 24.764 30.339 -3.332 1.00 0.00 H new ATOM 0 HE22 GLN A 100 25.448 31.855 -3.928 1.00 0.00 H new ATOM 1580 N GLU A 101 23.352 26.631 -8.817 1.00 0.00 N ATOM 1581 CA GLU A 101 23.531 25.928 -10.086 1.00 0.00 C ATOM 1582 C GLU A 101 22.326 25.025 -10.405 1.00 0.00 C ATOM 1583 O GLU A 101 21.795 25.093 -11.510 1.00 0.00 O ATOM 1584 CB GLU A 101 24.836 25.112 -10.066 1.00 0.00 C ATOM 1585 CG GLU A 101 25.189 24.583 -11.465 1.00 0.00 C ATOM 1586 CD GLU A 101 26.398 23.640 -11.445 1.00 0.00 C ATOM 1587 OE1 GLU A 101 27.523 24.091 -11.116 1.00 0.00 O ATOM 1588 OE2 GLU A 101 26.234 22.446 -11.791 1.00 0.00 O ATOM 0 H GLU A 101 24.046 26.384 -8.112 1.00 0.00 H new ATOM 0 HA GLU A 101 23.599 26.675 -10.877 1.00 0.00 H new ATOM 0 HB2 GLU A 101 25.650 25.734 -9.695 1.00 0.00 H new ATOM 0 HB3 GLU A 101 24.733 24.276 -9.375 1.00 0.00 H new ATOM 0 HG2 GLU A 101 24.329 24.058 -11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 101 25.398 25.424 -12.126 1.00 0.00 H new ATOM 1595 N GLN A 102 21.875 24.188 -9.461 1.00 0.00 N ATOM 1596 CA GLN A 102 20.821 23.202 -9.719 1.00 0.00 C ATOM 1597 C GLN A 102 19.447 23.841 -9.986 1.00 0.00 C ATOM 1598 O GLN A 102 18.741 23.373 -10.876 1.00 0.00 O ATOM 1599 CB GLN A 102 20.741 22.192 -8.560 1.00 0.00 C ATOM 1600 CG GLN A 102 21.937 21.219 -8.512 1.00 0.00 C ATOM 1601 CD GLN A 102 21.949 20.223 -9.674 1.00 0.00 C ATOM 1602 OE1 GLN A 102 22.625 20.406 -10.681 1.00 0.00 O ATOM 1603 NE2 GLN A 102 21.188 19.149 -9.606 1.00 0.00 N ATOM 0 H GLN A 102 22.228 24.176 -8.504 1.00 0.00 H new ATOM 0 HA GLN A 102 21.095 22.679 -10.635 1.00 0.00 H new ATOM 0 HB2 GLN A 102 20.687 22.736 -7.617 1.00 0.00 H new ATOM 0 HB3 GLN A 102 19.819 21.618 -8.651 1.00 0.00 H new ATOM 0 HG2 GLN A 102 22.864 21.792 -8.523 1.00 0.00 H new ATOM 0 HG3 GLN A 102 21.913 20.670 -7.571 1.00 0.00 H new ATOM 0 HE21 GLN A 102 20.619 18.979 -8.777 1.00 0.00 H new ATOM 0 HE22 GLN A 102 21.169 18.488 -10.382 1.00 0.00 H new ATOM 1612 N VAL A 103 19.069 24.911 -9.276 1.00 0.00 N ATOM 1613 CA VAL A 103 17.802 25.635 -9.517 1.00 0.00 C ATOM 1614 C VAL A 103 17.830 26.329 -10.888 1.00 0.00 C ATOM 1615 O VAL A 103 16.841 26.250 -11.617 1.00 0.00 O ATOM 1616 CB VAL A 103 17.494 26.649 -8.391 1.00 0.00 C ATOM 1617 CG1 VAL A 103 16.308 27.579 -8.705 1.00 0.00 C ATOM 1618 CG2 VAL A 103 17.168 25.911 -7.082 1.00 0.00 C ATOM 0 H VAL A 103 19.628 25.304 -8.518 1.00 0.00 H new ATOM 0 HA VAL A 103 16.998 24.899 -9.516 1.00 0.00 H new ATOM 0 HB VAL A 103 18.393 27.259 -8.298 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.151 28.263 -7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.523 28.151 -9.607 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.409 26.983 -8.860 1.00 0.00 H new ATOM 0 HG21 VAL A 103 16.953 26.638 -6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.298 25.271 -7.232 1.00 0.00 H new ATOM 0 HG23 VAL A 103 18.021 25.300 -6.787 1.00 0.00 H new ATOM 1628 N GLU A 104 18.949 26.958 -11.272 1.00 0.00 N ATOM 1629 CA GLU A 104 19.102 27.542 -12.606 1.00 0.00 C ATOM 1630 C GLU A 104 19.035 26.463 -13.700 1.00 0.00 C ATOM 1631 O GLU A 104 18.296 26.606 -14.672 1.00 0.00 O ATOM 1632 CB GLU A 104 20.416 28.337 -12.671 1.00 0.00 C ATOM 1633 CG GLU A 104 20.567 29.093 -13.995 1.00 0.00 C ATOM 1634 CD GLU A 104 21.839 29.953 -13.992 1.00 0.00 C ATOM 1635 OE1 GLU A 104 22.917 29.449 -14.389 1.00 0.00 O ATOM 1636 OE2 GLU A 104 21.768 31.145 -13.606 1.00 0.00 O ATOM 0 H GLU A 104 19.765 27.074 -10.671 1.00 0.00 H new ATOM 0 HA GLU A 104 18.273 28.226 -12.791 1.00 0.00 H new ATOM 0 HB2 GLU A 104 20.452 29.045 -11.843 1.00 0.00 H new ATOM 0 HB3 GLU A 104 21.258 27.656 -12.545 1.00 0.00 H new ATOM 0 HG2 GLU A 104 20.605 28.383 -14.821 1.00 0.00 H new ATOM 0 HG3 GLU A 104 19.695 29.726 -14.158 1.00 0.00 H new ATOM 1643 N LYS A 105 19.734 25.342 -13.516 1.00 0.00 N ATOM 1644 CA LYS A 105 19.731 24.194 -14.430 1.00 0.00 C ATOM 1645 C LYS A 105 18.329 23.574 -14.585 1.00 0.00 C ATOM 1646 O LYS A 105 17.925 23.259 -15.703 1.00 0.00 O ATOM 1647 CB LYS A 105 20.778 23.200 -13.902 1.00 0.00 C ATOM 1648 CG LYS A 105 21.107 22.031 -14.845 1.00 0.00 C ATOM 1649 CD LYS A 105 22.084 21.035 -14.188 1.00 0.00 C ATOM 1650 CE LYS A 105 23.427 21.686 -13.801 1.00 0.00 C ATOM 1651 NZ LYS A 105 24.276 20.784 -12.980 1.00 0.00 N ATOM 0 H LYS A 105 20.336 25.202 -12.704 1.00 0.00 H new ATOM 0 HA LYS A 105 19.996 24.505 -15.441 1.00 0.00 H new ATOM 0 HB2 LYS A 105 21.698 23.745 -13.690 1.00 0.00 H new ATOM 0 HB3 LYS A 105 20.424 22.793 -12.955 1.00 0.00 H new ATOM 0 HG2 LYS A 105 20.188 21.514 -15.120 1.00 0.00 H new ATOM 0 HG3 LYS A 105 21.543 22.417 -15.766 1.00 0.00 H new ATOM 0 HD2 LYS A 105 21.620 20.612 -13.297 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.270 20.209 -14.874 1.00 0.00 H new ATOM 0 HE2 LYS A 105 23.967 21.965 -14.706 1.00 0.00 H new ATOM 0 HE3 LYS A 105 23.236 22.605 -13.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 25.129 21.294 -12.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 23.742 20.470 -12.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 24.552 19.956 -13.546 1.00 0.00 H new ATOM 1665 N ALA A 106 17.557 23.455 -13.499 1.00 0.00 N ATOM 1666 CA ALA A 106 16.172 22.973 -13.531 1.00 0.00 C ATOM 1667 C ALA A 106 15.222 23.939 -14.266 1.00 0.00 C ATOM 1668 O ALA A 106 14.395 23.492 -15.063 1.00 0.00 O ATOM 1669 CB ALA A 106 15.720 22.720 -12.084 1.00 0.00 C ATOM 0 H ALA A 106 17.881 23.694 -12.562 1.00 0.00 H new ATOM 0 HA ALA A 106 16.132 22.045 -14.102 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.691 22.360 -12.082 1.00 0.00 H new ATOM 0 HB2 ALA A 106 16.367 21.972 -11.626 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.781 23.648 -11.516 1.00 0.00 H new ATOM 1675 N MET A 107 15.334 25.250 -14.013 1.00 0.00 N ATOM 1676 CA MET A 107 14.459 26.282 -14.595 1.00 0.00 C ATOM 1677 C MET A 107 14.784 26.589 -16.066 1.00 0.00 C ATOM 1678 O MET A 107 13.870 26.680 -16.888 1.00 0.00 O ATOM 1679 CB MET A 107 14.546 27.568 -13.752 1.00 0.00 C ATOM 1680 CG MET A 107 13.860 27.439 -12.379 1.00 0.00 C ATOM 1681 SD MET A 107 12.060 27.183 -12.373 1.00 0.00 S ATOM 1682 CE MET A 107 11.502 28.721 -13.149 1.00 0.00 C ATOM 0 H MET A 107 16.045 25.631 -13.389 1.00 0.00 H new ATOM 0 HA MET A 107 13.443 25.888 -14.578 1.00 0.00 H new ATOM 0 HB2 MET A 107 15.594 27.828 -13.605 1.00 0.00 H new ATOM 0 HB3 MET A 107 14.088 28.389 -14.304 1.00 0.00 H new ATOM 0 HG2 MET A 107 14.322 26.607 -11.847 1.00 0.00 H new ATOM 0 HG3 MET A 107 14.075 28.342 -11.807 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.419 28.801 -13.060 1.00 0.00 H new ATOM 0 HE2 MET A 107 11.971 29.570 -12.652 1.00 0.00 H new ATOM 0 HE3 MET A 107 11.780 28.718 -14.203 1.00 0.00 H new ATOM 1692 N CYS A 108 16.067 26.760 -16.405 1.00 0.00 N ATOM 1693 CA CYS A 108 16.535 27.166 -17.738 1.00 0.00 C ATOM 1694 C CYS A 108 16.880 25.968 -18.647 1.00 0.00 C ATOM 1695 O CYS A 108 16.462 25.945 -19.811 1.00 0.00 O ATOM 1696 CB CYS A 108 17.741 28.097 -17.533 1.00 0.00 C ATOM 1697 SG CYS A 108 18.237 28.845 -19.113 1.00 0.00 S ATOM 0 H CYS A 108 16.830 26.616 -15.743 1.00 0.00 H new ATOM 0 HA CYS A 108 15.733 27.686 -18.262 1.00 0.00 H new ATOM 0 HB2 CYS A 108 17.488 28.879 -16.817 1.00 0.00 H new ATOM 0 HB3 CYS A 108 18.575 27.536 -17.111 1.00 0.00 H new ATOM 0 HG CYS A 108 19.255 29.630 -18.921 1.00 0.00 H new ATOM 1703 N SER A 109 17.613 24.977 -18.111 1.00 0.00 N ATOM 1704 CA SER A 109 18.085 23.752 -18.800 1.00 0.00 C ATOM 1705 C SER A 109 18.868 24.048 -20.098 1.00 0.00 C ATOM 1706 O SER A 109 19.950 24.672 -19.993 1.00 0.00 O ATOM 1707 CB SER A 109 16.924 22.778 -19.037 1.00 0.00 C ATOM 1708 OG SER A 109 16.353 22.442 -17.787 1.00 0.00 O ATOM 1709 OXT SER A 109 18.448 23.630 -21.204 1.00 0.00 O ATOM 0 H SER A 109 17.910 25.005 -17.136 1.00 0.00 H new ATOM 0 HA SER A 109 18.800 23.270 -18.133 1.00 0.00 H new ATOM 0 HB2 SER A 109 16.175 23.233 -19.685 1.00 0.00 H new ATOM 0 HB3 SER A 109 17.280 21.881 -19.543 1.00 0.00 H new ATOM 0 HG SER A 109 16.901 22.817 -17.066 1.00 0.00 H new TER 1715 SER A 109