USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 573 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 Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0164) USER MOD Single : A 1 MET N :NH3+ 169:sc= 0.247 (180deg=-0.198) USER MOD Single : A 2 GLN : amide:sc= -1.65 K(o=-1.7,f=-2.3) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 155:sc= -0.0799 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 157:sc= -0.0384 (180deg=-0.428) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -115:sc= 0.274 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0888 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.401) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0846 K(o=-0.085,f=-1.5!) USER MOD Single : A 41 GLN : amide:sc= -0.927 K(o=-0.93,f=-6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00814 X(o=-0.0081,f=-0.0031) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.94 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 77:sc= -0.547 USER MOD Single : A 60 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.9!) USER MOD Single : A 62 GLN : amide:sc= -0.0125 K(o=-0.012,f=-1.5!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 31:sc= 1.17 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.938 -5.347 5.172 1.00 0.00 N ATOM 2 CA MET A 1 -12.763 -4.740 6.480 1.00 0.00 C ATOM 3 C MET A 1 -11.931 -3.460 6.383 1.00 0.00 C ATOM 4 O MET A 1 -11.545 -3.047 5.291 1.00 0.00 O ATOM 5 CB MET A 1 -12.066 -5.732 7.414 1.00 0.00 C ATOM 6 CG MET A 1 -10.725 -6.183 6.833 1.00 0.00 C ATOM 7 SD MET A 1 -10.073 -7.544 7.787 1.00 0.00 S ATOM 8 CE MET A 1 -10.952 -8.901 7.032 1.00 0.00 C ATOM 0 H1 MET A 1 -13.340 -6.300 5.282 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.583 -4.763 4.602 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.017 -5.413 4.694 1.00 0.00 H new ATOM 0 HA MET A 1 -13.746 -4.484 6.875 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.907 -5.270 8.388 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.707 -6.599 7.573 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.853 -6.485 5.794 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.019 -5.353 6.839 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.609 -9.842 7.463 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.021 -8.787 7.213 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.764 -8.904 5.958 1.00 0.00 H new ATOM 18 N GLN A 2 -11.681 -2.866 7.541 1.00 0.00 N ATOM 19 CA GLN A 2 -10.902 -1.641 7.601 1.00 0.00 C ATOM 20 C GLN A 2 -9.414 -1.963 7.746 1.00 0.00 C ATOM 21 O GLN A 2 -9.052 -2.989 8.321 1.00 0.00 O ATOM 22 CB GLN A 2 -11.382 -0.740 8.741 1.00 0.00 C ATOM 23 CG GLN A 2 -10.513 0.513 8.854 1.00 0.00 C ATOM 24 CD GLN A 2 -11.002 1.419 9.986 1.00 0.00 C ATOM 25 OE1 GLN A 2 -10.863 1.118 11.160 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.578 2.543 9.569 1.00 0.00 N ATOM 0 H GLN A 2 -12.004 -3.211 8.445 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.046 -1.097 6.667 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.419 -0.453 8.570 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.355 -1.291 9.681 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.477 0.226 9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.533 1.060 7.911 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.662 2.733 8.570 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.936 3.215 10.248 1.00 0.00 H new ATOM 35 N ILE A 3 -8.592 -1.069 7.218 1.00 0.00 N ATOM 36 CA ILE A 3 -7.151 -1.246 7.282 1.00 0.00 C ATOM 37 C ILE A 3 -6.487 0.106 7.547 1.00 0.00 C ATOM 38 O ILE A 3 -7.065 1.153 7.257 1.00 0.00 O ATOM 39 CB ILE A 3 -6.641 -1.946 6.021 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.782 -1.041 4.796 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.338 -3.293 5.821 1.00 0.00 C ATOM 42 CD1 ILE A 3 -5.718 0.058 4.801 1.00 0.00 C ATOM 0 H ILE A 3 -8.896 -0.219 6.743 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.884 -1.900 8.112 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.578 -2.150 6.150 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.691 -1.636 3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.775 -0.591 4.784 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.957 -3.769 4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.142 -3.935 6.680 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.412 -3.136 5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.841 0.687 3.919 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.827 0.666 5.699 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.727 -0.395 4.788 1.00 0.00 H new ATOM 54 N PHE A 4 -5.282 0.041 8.093 1.00 0.00 N ATOM 55 CA PHE A 4 -4.533 1.248 8.400 1.00 0.00 C ATOM 56 C PHE A 4 -3.212 1.285 7.627 1.00 0.00 C ATOM 57 O PHE A 4 -2.289 0.531 7.933 1.00 0.00 O ATOM 58 CB PHE A 4 -4.232 1.219 9.899 1.00 0.00 C ATOM 59 CG PHE A 4 -5.423 1.603 10.781 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.597 0.926 10.669 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.306 2.621 11.674 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.702 1.282 11.487 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.411 2.978 12.492 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.585 2.301 12.381 1.00 0.00 C ATOM 0 H PHE A 4 -4.805 -0.829 8.331 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.113 2.127 8.119 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.898 0.218 10.173 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.405 1.899 10.106 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.689 0.118 9.958 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.373 3.158 11.762 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.635 0.744 11.400 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.319 3.787 13.202 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.425 2.572 13.003 1.00 0.00 H new ATOM 74 N VAL A 5 -3.165 2.167 6.641 1.00 0.00 N ATOM 75 CA VAL A 5 -1.973 2.312 5.822 1.00 0.00 C ATOM 76 C VAL A 5 -1.144 3.489 6.339 1.00 0.00 C ATOM 77 O VAL A 5 -1.690 4.441 6.896 1.00 0.00 O ATOM 78 CB VAL A 5 -2.364 2.457 4.350 1.00 0.00 C ATOM 79 CG1 VAL A 5 -2.868 3.871 4.053 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.195 2.088 3.434 1.00 0.00 C ATOM 0 H VAL A 5 -3.933 2.789 6.390 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.350 1.420 5.893 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.179 1.762 4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.139 3.947 3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.742 4.083 4.669 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.082 4.592 4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.499 2.199 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.351 2.747 3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.901 1.054 3.617 1.00 0.00 H new ATOM 90 N LYS A 6 0.161 3.387 6.137 1.00 0.00 N ATOM 91 CA LYS A 6 1.071 4.431 6.576 1.00 0.00 C ATOM 92 C LYS A 6 1.571 5.211 5.358 1.00 0.00 C ATOM 93 O LYS A 6 1.705 4.652 4.271 1.00 0.00 O ATOM 94 CB LYS A 6 2.194 3.839 7.432 1.00 0.00 C ATOM 95 CG LYS A 6 2.022 4.223 8.903 1.00 0.00 C ATOM 96 CD LYS A 6 1.301 3.117 9.677 1.00 0.00 C ATOM 97 CE LYS A 6 1.905 2.941 11.071 1.00 0.00 C ATOM 98 NZ LYS A 6 0.959 2.229 11.959 1.00 0.00 N ATOM 0 H LYS A 6 0.610 2.597 5.675 1.00 0.00 H new ATOM 0 HA LYS A 6 0.553 5.142 7.220 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.197 2.753 7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.159 4.195 7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.998 4.408 9.351 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.456 5.152 8.977 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.242 3.360 9.764 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.369 2.179 9.126 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.838 2.383 11.002 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.147 3.916 11.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.384 2.118 12.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.079 2.777 12.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.748 1.291 11.561 1.00 0.00 H new ATOM 112 N THR A 7 1.834 6.490 5.583 1.00 0.00 N ATOM 113 CA THR A 7 2.317 7.352 4.517 1.00 0.00 C ATOM 114 C THR A 7 3.829 7.555 4.638 1.00 0.00 C ATOM 115 O THR A 7 4.410 7.295 5.690 1.00 0.00 O ATOM 116 CB THR A 7 1.521 8.658 4.569 1.00 0.00 C ATOM 117 OG1 THR A 7 2.012 9.316 5.735 1.00 0.00 O ATOM 118 CG2 THR A 7 0.039 8.430 4.866 1.00 0.00 C ATOM 0 H THR A 7 1.722 6.950 6.487 1.00 0.00 H new ATOM 0 HA THR A 7 2.160 6.898 3.539 1.00 0.00 H new ATOM 0 HB THR A 7 1.623 9.183 3.619 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.880 10.283 5.645 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.479 9.389 4.892 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.396 7.803 4.087 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.067 7.935 5.831 1.00 0.00 H new ATOM 126 N LEU A 8 4.421 8.017 3.548 1.00 0.00 N ATOM 127 CA LEU A 8 5.853 8.259 3.518 1.00 0.00 C ATOM 128 C LEU A 8 6.192 9.404 4.474 1.00 0.00 C ATOM 129 O LEU A 8 7.365 9.700 4.703 1.00 0.00 O ATOM 130 CB LEU A 8 6.328 8.495 2.083 1.00 0.00 C ATOM 131 CG LEU A 8 7.761 8.061 1.771 1.00 0.00 C ATOM 132 CD1 LEU A 8 7.782 6.692 1.086 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.490 9.124 0.949 1.00 0.00 C ATOM 0 H LEU A 8 3.935 8.231 2.677 1.00 0.00 H new ATOM 0 HA LEU A 8 6.395 7.380 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.655 7.968 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.235 9.558 1.861 1.00 0.00 H new ATOM 0 HG LEU A 8 8.299 7.959 2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.813 6.407 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.327 5.950 1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.221 6.744 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.506 8.790 0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.961 9.283 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.523 10.058 1.510 1.00 0.00 H new ATOM 145 N THR A 9 5.146 10.017 5.008 1.00 0.00 N ATOM 146 CA THR A 9 5.319 11.122 5.935 1.00 0.00 C ATOM 147 C THR A 9 5.191 10.634 7.379 1.00 0.00 C ATOM 148 O THR A 9 5.408 11.398 8.318 1.00 0.00 O ATOM 149 CB THR A 9 4.306 12.208 5.569 1.00 0.00 C ATOM 150 OG1 THR A 9 4.796 12.743 4.343 1.00 0.00 O ATOM 151 CG2 THR A 9 4.344 13.395 6.534 1.00 0.00 C ATOM 0 H THR A 9 4.175 9.769 4.816 1.00 0.00 H new ATOM 0 HA THR A 9 6.319 11.549 5.858 1.00 0.00 H new ATOM 0 HB THR A 9 3.304 11.779 5.560 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.196 13.454 4.033 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.606 14.136 6.228 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.117 13.051 7.543 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.337 13.844 6.519 1.00 0.00 H new ATOM 159 N GLY A 10 4.838 9.363 7.511 1.00 0.00 N ATOM 160 CA GLY A 10 4.679 8.763 8.824 1.00 0.00 C ATOM 161 C GLY A 10 3.236 8.896 9.316 1.00 0.00 C ATOM 162 O GLY A 10 2.885 8.367 10.370 1.00 0.00 O ATOM 0 H GLY A 10 4.658 8.733 6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.957 7.710 8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.354 9.244 9.532 1.00 0.00 H new ATOM 166 N LYS A 11 2.440 9.607 8.531 1.00 0.00 N ATOM 167 CA LYS A 11 1.044 9.816 8.873 1.00 0.00 C ATOM 168 C LYS A 11 0.268 8.516 8.651 1.00 0.00 C ATOM 169 O LYS A 11 0.608 7.729 7.768 1.00 0.00 O ATOM 170 CB LYS A 11 0.477 11.010 8.103 1.00 0.00 C ATOM 171 CG LYS A 11 -0.902 11.404 8.640 1.00 0.00 C ATOM 172 CD LYS A 11 -2.002 11.050 7.638 1.00 0.00 C ATOM 173 CE LYS A 11 -3.213 11.969 7.806 1.00 0.00 C ATOM 174 NZ LYS A 11 -2.884 13.345 7.368 1.00 0.00 N ATOM 0 H LYS A 11 2.736 10.046 7.659 1.00 0.00 H new ATOM 0 HA LYS A 11 0.944 10.070 9.928 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.159 11.857 8.184 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.402 10.762 7.044 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.088 10.893 9.585 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.924 12.474 8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.615 11.135 6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.306 10.013 7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.051 11.586 7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.528 11.979 8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.759 13.847 7.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.405 13.850 8.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.256 13.305 6.540 1.00 0.00 H new ATOM 188 N THR A 12 -0.760 8.331 9.466 1.00 0.00 N ATOM 189 CA THR A 12 -1.586 7.139 9.369 1.00 0.00 C ATOM 190 C THR A 12 -2.914 7.466 8.683 1.00 0.00 C ATOM 191 O THR A 12 -3.589 8.425 9.054 1.00 0.00 O ATOM 192 CB THR A 12 -1.755 6.566 10.778 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.452 6.103 11.122 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.617 5.301 10.795 1.00 0.00 C ATOM 0 H THR A 12 -1.040 8.986 10.196 1.00 0.00 H new ATOM 0 HA THR A 12 -1.113 6.379 8.747 1.00 0.00 H new ATOM 0 HB THR A 12 -2.203 7.319 11.426 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.469 5.717 12.023 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.706 4.935 11.818 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.608 5.531 10.405 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.152 4.535 10.175 1.00 0.00 H new ATOM 202 N ILE A 13 -3.249 6.650 7.695 1.00 0.00 N ATOM 203 CA ILE A 13 -4.484 6.841 6.953 1.00 0.00 C ATOM 204 C ILE A 13 -5.300 5.547 6.989 1.00 0.00 C ATOM 205 O ILE A 13 -4.814 4.491 6.588 1.00 0.00 O ATOM 206 CB ILE A 13 -4.187 7.341 5.538 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.790 8.819 5.551 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.369 7.072 4.603 1.00 0.00 C ATOM 209 CD1 ILE A 13 -3.471 9.313 4.139 1.00 0.00 C ATOM 0 H ILE A 13 -2.687 5.855 7.391 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.093 7.616 7.419 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.335 6.783 5.149 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.600 9.413 5.974 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.922 8.960 6.195 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.133 7.437 3.603 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.564 6.000 4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.254 7.587 4.977 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.192 10.366 4.176 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.645 8.733 3.729 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.349 9.193 3.504 1.00 0.00 H new ATOM 221 N THR A 14 -6.527 5.672 7.475 1.00 0.00 N ATOM 222 CA THR A 14 -7.415 4.526 7.569 1.00 0.00 C ATOM 223 C THR A 14 -8.382 4.502 6.384 1.00 0.00 C ATOM 224 O THR A 14 -8.898 5.541 5.978 1.00 0.00 O ATOM 225 CB THR A 14 -8.119 4.583 8.926 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.112 5.051 9.820 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.475 3.194 9.460 1.00 0.00 C ATOM 0 H THR A 14 -6.927 6.550 7.808 1.00 0.00 H new ATOM 0 HA THR A 14 -6.859 3.590 7.514 1.00 0.00 H new ATOM 0 HB THR A 14 -9.026 5.182 8.840 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.907 4.353 10.476 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.972 3.292 10.425 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.141 2.694 8.757 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.565 2.606 9.579 1.00 0.00 H new ATOM 235 N LEU A 15 -8.598 3.304 5.861 1.00 0.00 N ATOM 236 CA LEU A 15 -9.494 3.131 4.731 1.00 0.00 C ATOM 237 C LEU A 15 -10.346 1.878 4.948 1.00 0.00 C ATOM 238 O LEU A 15 -9.832 0.834 5.346 1.00 0.00 O ATOM 239 CB LEU A 15 -8.705 3.118 3.419 1.00 0.00 C ATOM 240 CG LEU A 15 -9.415 3.721 2.205 1.00 0.00 C ATOM 241 CD1 LEU A 15 -10.669 2.921 1.849 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.725 5.202 2.432 1.00 0.00 C ATOM 0 H LEU A 15 -8.168 2.443 6.199 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.180 3.975 4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.771 3.658 3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.442 2.086 3.186 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.742 3.660 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.154 3.371 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.391 1.893 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.357 2.928 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.229 5.607 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.371 5.309 3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.796 5.747 2.600 1.00 0.00 H new ATOM 254 N GLU A 16 -11.635 2.024 4.677 1.00 0.00 N ATOM 255 CA GLU A 16 -12.563 0.918 4.838 1.00 0.00 C ATOM 256 C GLU A 16 -12.861 0.274 3.482 1.00 0.00 C ATOM 257 O GLU A 16 -13.380 0.929 2.580 1.00 0.00 O ATOM 258 CB GLU A 16 -13.852 1.379 5.520 1.00 0.00 C ATOM 259 CG GLU A 16 -14.816 0.208 5.719 1.00 0.00 C ATOM 260 CD GLU A 16 -16.257 0.702 5.866 1.00 0.00 C ATOM 261 OE1 GLU A 16 -16.777 1.239 4.863 1.00 0.00 O ATOM 262 OE2 GLU A 16 -16.805 0.533 6.977 1.00 0.00 O ATOM 0 H GLU A 16 -12.058 2.891 4.347 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.098 0.170 5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.617 1.829 6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.331 2.150 4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.746 -0.473 4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.529 -0.357 6.606 1.00 0.00 H new ATOM 269 N VAL A 17 -12.519 -1.002 3.382 1.00 0.00 N ATOM 270 CA VAL A 17 -12.745 -1.742 2.152 1.00 0.00 C ATOM 271 C VAL A 17 -13.307 -3.125 2.488 1.00 0.00 C ATOM 272 O VAL A 17 -13.490 -3.456 3.659 1.00 0.00 O ATOM 273 CB VAL A 17 -11.452 -1.805 1.336 1.00 0.00 C ATOM 274 CG1 VAL A 17 -10.990 -0.404 0.930 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.354 -2.544 2.104 1.00 0.00 C ATOM 0 H VAL A 17 -12.087 -1.542 4.132 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.483 -1.234 1.531 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.659 -2.366 0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.069 -0.478 0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.761 0.072 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.810 0.193 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.446 -2.574 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.151 -2.023 3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.682 -3.561 2.318 1.00 0.00 H new ATOM 285 N GLU A 18 -13.564 -3.895 1.441 1.00 0.00 N ATOM 286 CA GLU A 18 -14.102 -5.234 1.612 1.00 0.00 C ATOM 287 C GLU A 18 -13.027 -6.280 1.309 1.00 0.00 C ATOM 288 O GLU A 18 -12.069 -6.000 0.591 1.00 0.00 O ATOM 289 CB GLU A 18 -15.336 -5.445 0.731 1.00 0.00 C ATOM 290 CG GLU A 18 -16.622 -5.179 1.518 1.00 0.00 C ATOM 291 CD GLU A 18 -17.659 -6.274 1.260 1.00 0.00 C ATOM 292 OE1 GLU A 18 -17.484 -7.369 1.839 1.00 0.00 O ATOM 293 OE2 GLU A 18 -18.603 -5.992 0.491 1.00 0.00 O ATOM 0 H GLU A 18 -13.410 -3.618 0.472 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.413 -5.351 2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.289 -4.781 -0.132 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.344 -6.465 0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.397 -5.130 2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.033 -4.210 1.234 1.00 0.00 H new ATOM 300 N PRO A 19 -13.229 -7.494 1.886 1.00 0.00 N ATOM 301 CA PRO A 19 -12.288 -8.584 1.685 1.00 0.00 C ATOM 302 C PRO A 19 -12.437 -9.186 0.286 1.00 0.00 C ATOM 303 O PRO A 19 -11.573 -9.936 -0.166 1.00 0.00 O ATOM 304 CB PRO A 19 -12.595 -9.577 2.794 1.00 0.00 C ATOM 305 CG PRO A 19 -13.989 -9.233 3.289 1.00 0.00 C ATOM 306 CD PRO A 19 -14.353 -7.862 2.742 1.00 0.00 C ATOM 0 HA PRO A 19 -11.249 -8.258 1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.554 -10.601 2.423 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.865 -9.500 3.600 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.708 -9.981 2.954 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.017 -9.229 4.379 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.285 -7.895 2.179 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.492 -7.139 3.546 1.00 0.00 H new ATOM 314 N SER A 20 -13.538 -8.835 -0.361 1.00 0.00 N ATOM 315 CA SER A 20 -13.811 -9.330 -1.699 1.00 0.00 C ATOM 316 C SER A 20 -13.204 -8.387 -2.740 1.00 0.00 C ATOM 317 O SER A 20 -12.906 -8.802 -3.859 1.00 0.00 O ATOM 318 CB SER A 20 -15.316 -9.483 -1.934 1.00 0.00 C ATOM 319 OG SER A 20 -15.682 -10.835 -2.190 1.00 0.00 O ATOM 0 H SER A 20 -14.252 -8.213 0.017 1.00 0.00 H new ATOM 0 HA SER A 20 -13.353 -10.314 -1.799 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.858 -9.120 -1.061 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.616 -8.860 -2.777 1.00 0.00 H new ATOM 0 HG SER A 20 -16.650 -10.890 -2.333 1.00 0.00 H new ATOM 325 N ASP A 21 -13.039 -7.137 -2.335 1.00 0.00 N ATOM 326 CA ASP A 21 -12.472 -6.133 -3.218 1.00 0.00 C ATOM 327 C ASP A 21 -11.011 -6.479 -3.507 1.00 0.00 C ATOM 328 O ASP A 21 -10.317 -7.026 -2.650 1.00 0.00 O ATOM 329 CB ASP A 21 -12.510 -4.747 -2.572 1.00 0.00 C ATOM 330 CG ASP A 21 -13.866 -4.341 -1.990 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.856 -5.028 -2.325 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.882 -3.354 -1.224 1.00 0.00 O ATOM 0 H ASP A 21 -13.288 -6.796 -1.406 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.061 -6.120 -4.135 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.765 -4.713 -1.777 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.215 -4.008 -3.317 1.00 0.00 H new ATOM 337 N THR A 22 -10.585 -6.148 -4.717 1.00 0.00 N ATOM 338 CA THR A 22 -9.218 -6.417 -5.130 1.00 0.00 C ATOM 339 C THR A 22 -8.294 -5.281 -4.688 1.00 0.00 C ATOM 340 O THR A 22 -8.759 -4.247 -4.210 1.00 0.00 O ATOM 341 CB THR A 22 -9.217 -6.648 -6.642 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.544 -5.373 -7.188 1.00 0.00 O ATOM 343 CG2 THR A 22 -10.365 -7.552 -7.097 1.00 0.00 C ATOM 0 H THR A 22 -11.163 -5.696 -5.425 1.00 0.00 H new ATOM 0 HA THR A 22 -8.830 -7.315 -4.650 1.00 0.00 H new ATOM 0 HB THR A 22 -8.266 -7.089 -6.941 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.564 -5.431 -8.166 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.318 -7.684 -8.178 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.279 -8.523 -6.609 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.317 -7.094 -6.828 1.00 0.00 H new ATOM 351 N ILE A 23 -7.001 -5.510 -4.864 1.00 0.00 N ATOM 352 CA ILE A 23 -6.008 -4.518 -4.490 1.00 0.00 C ATOM 353 C ILE A 23 -6.285 -3.214 -5.242 1.00 0.00 C ATOM 354 O ILE A 23 -6.403 -2.154 -4.630 1.00 0.00 O ATOM 355 CB ILE A 23 -4.595 -5.065 -4.710 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.261 -6.148 -3.683 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.563 -3.935 -4.708 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.355 -5.600 -2.257 1.00 0.00 C ATOM 0 H ILE A 23 -6.618 -6.368 -5.261 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.078 -4.294 -3.426 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.559 -5.532 -5.694 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.946 -6.988 -3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.256 -6.529 -3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.568 -4.351 -4.866 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.793 -3.231 -5.507 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.592 -3.418 -3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.113 -6.391 -1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.652 -4.776 -2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.368 -5.243 -2.071 1.00 0.00 H new ATOM 370 N GLU A 24 -6.382 -3.337 -6.557 1.00 0.00 N ATOM 371 CA GLU A 24 -6.645 -2.182 -7.398 1.00 0.00 C ATOM 372 C GLU A 24 -7.872 -1.423 -6.890 1.00 0.00 C ATOM 373 O GLU A 24 -7.911 -0.194 -6.939 1.00 0.00 O ATOM 374 CB GLU A 24 -6.824 -2.597 -8.860 1.00 0.00 C ATOM 375 CG GLU A 24 -6.493 -1.439 -9.804 1.00 0.00 C ATOM 376 CD GLU A 24 -7.116 -1.660 -11.183 1.00 0.00 C ATOM 377 OE1 GLU A 24 -8.285 -1.251 -11.352 1.00 0.00 O ATOM 378 OE2 GLU A 24 -6.409 -2.236 -12.039 1.00 0.00 O ATOM 0 H GLU A 24 -6.283 -4.218 -7.061 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.783 -1.517 -7.346 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.179 -3.447 -9.082 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.851 -2.924 -9.026 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.860 -0.504 -9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.412 -1.342 -9.901 1.00 0.00 H new ATOM 385 N ASN A 25 -8.845 -2.186 -6.415 1.00 0.00 N ATOM 386 CA ASN A 25 -10.071 -1.601 -5.897 1.00 0.00 C ATOM 387 C ASN A 25 -9.749 -0.770 -4.653 1.00 0.00 C ATOM 388 O ASN A 25 -10.247 0.345 -4.501 1.00 0.00 O ATOM 389 CB ASN A 25 -11.073 -2.685 -5.496 1.00 0.00 C ATOM 390 CG ASN A 25 -12.478 -2.344 -5.994 1.00 0.00 C ATOM 391 OD1 ASN A 25 -13.339 -1.902 -5.250 1.00 0.00 O ATOM 392 ND2 ASN A 25 -12.664 -2.572 -7.291 1.00 0.00 N ATOM 0 H ASN A 25 -8.810 -3.205 -6.378 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.506 -0.981 -6.681 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.760 -3.645 -5.908 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.084 -2.792 -4.411 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -13.569 -2.376 -7.719 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.902 -2.943 -7.858 1.00 0.00 H new ATOM 399 N VAL A 26 -8.920 -1.345 -3.796 1.00 0.00 N ATOM 400 CA VAL A 26 -8.525 -0.671 -2.570 1.00 0.00 C ATOM 401 C VAL A 26 -7.748 0.599 -2.919 1.00 0.00 C ATOM 402 O VAL A 26 -7.987 1.656 -2.337 1.00 0.00 O ATOM 403 CB VAL A 26 -7.735 -1.631 -1.677 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.334 -0.953 -0.366 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.527 -2.912 -1.412 1.00 0.00 C ATOM 0 H VAL A 26 -8.510 -2.270 -3.925 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.403 -0.367 -2.000 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.822 -1.906 -2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.774 -1.656 0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.712 -0.084 -0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.230 -0.635 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.942 -3.576 -0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.464 -2.664 -0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.740 -3.411 -2.358 1.00 0.00 H new ATOM 415 N LYS A 27 -6.832 0.454 -3.865 1.00 0.00 N ATOM 416 CA LYS A 27 -6.018 1.577 -4.298 1.00 0.00 C ATOM 417 C LYS A 27 -6.918 2.638 -4.934 1.00 0.00 C ATOM 418 O LYS A 27 -6.685 3.834 -4.768 1.00 0.00 O ATOM 419 CB LYS A 27 -4.889 1.098 -5.213 1.00 0.00 C ATOM 420 CG LYS A 27 -3.608 0.844 -4.416 1.00 0.00 C ATOM 421 CD LYS A 27 -3.083 -0.572 -4.658 1.00 0.00 C ATOM 422 CE LYS A 27 -1.847 -0.553 -5.558 1.00 0.00 C ATOM 423 NZ LYS A 27 -0.840 -1.526 -5.076 1.00 0.00 N ATOM 0 H LYS A 27 -6.635 -0.425 -4.344 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.528 2.045 -3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.192 0.183 -5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.700 1.844 -5.984 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.848 1.571 -4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.803 0.987 -3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.836 -1.040 -3.705 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.863 -1.179 -5.118 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.132 -0.793 -6.582 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.416 0.448 -5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.310 -1.907 -5.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.183 -1.052 -4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.319 -2.304 -4.579 1.00 0.00 H new ATOM 437 N ALA A 28 -7.926 2.161 -5.650 1.00 0.00 N ATOM 438 CA ALA A 28 -8.861 3.055 -6.312 1.00 0.00 C ATOM 439 C ALA A 28 -9.594 3.889 -5.260 1.00 0.00 C ATOM 440 O ALA A 28 -9.813 5.084 -5.452 1.00 0.00 O ATOM 441 CB ALA A 28 -9.820 2.238 -7.180 1.00 0.00 C ATOM 0 H ALA A 28 -8.115 1.168 -5.786 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.333 3.745 -6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.522 2.908 -7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.252 1.686 -7.929 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.370 1.536 -6.553 1.00 0.00 H new ATOM 447 N LYS A 29 -9.955 3.226 -4.170 1.00 0.00 N ATOM 448 CA LYS A 29 -10.659 3.891 -3.087 1.00 0.00 C ATOM 449 C LYS A 29 -9.755 4.968 -2.483 1.00 0.00 C ATOM 450 O LYS A 29 -10.189 6.098 -2.265 1.00 0.00 O ATOM 451 CB LYS A 29 -11.163 2.869 -2.068 1.00 0.00 C ATOM 452 CG LYS A 29 -12.312 3.444 -1.235 1.00 0.00 C ATOM 453 CD LYS A 29 -13.284 2.343 -0.808 1.00 0.00 C ATOM 454 CE LYS A 29 -14.358 2.895 0.131 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.506 1.965 0.209 1.00 0.00 N ATOM 0 H LYS A 29 -9.773 2.235 -4.014 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.549 4.395 -3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.499 1.970 -2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.346 2.572 -1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.912 3.943 -0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.844 4.199 -1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.755 1.907 -1.689 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.737 1.543 -0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.937 3.047 1.125 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.695 3.869 -0.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.226 2.355 0.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.917 1.841 -0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.183 1.044 0.570 1.00 0.00 H new ATOM 469 N ILE A 30 -8.514 4.579 -2.228 1.00 0.00 N ATOM 470 CA ILE A 30 -7.546 5.497 -1.653 1.00 0.00 C ATOM 471 C ILE A 30 -7.303 6.652 -2.627 1.00 0.00 C ATOM 472 O ILE A 30 -7.038 7.777 -2.206 1.00 0.00 O ATOM 473 CB ILE A 30 -6.271 4.750 -1.255 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.588 3.584 -0.316 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.241 5.706 -0.652 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.494 2.517 -0.378 1.00 0.00 C ATOM 0 H ILE A 30 -8.157 3.641 -2.409 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.934 5.933 -0.732 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.829 4.326 -2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.685 3.951 0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.547 3.143 -0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.345 5.149 -0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.983 6.472 -1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.660 6.179 0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.744 1.700 0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.416 2.135 -1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.541 2.955 -0.081 1.00 0.00 H new ATOM 488 N GLN A 31 -7.403 6.334 -3.909 1.00 0.00 N ATOM 489 CA GLN A 31 -7.197 7.331 -4.945 1.00 0.00 C ATOM 490 C GLN A 31 -8.290 8.400 -4.877 1.00 0.00 C ATOM 491 O GLN A 31 -8.006 9.569 -4.622 1.00 0.00 O ATOM 492 CB GLN A 31 -7.151 6.681 -6.329 1.00 0.00 C ATOM 493 CG GLN A 31 -7.021 7.739 -7.427 1.00 0.00 C ATOM 494 CD GLN A 31 -7.371 7.154 -8.797 1.00 0.00 C ATOM 495 OE1 GLN A 31 -7.060 6.017 -9.113 1.00 0.00 O ATOM 496 NE2 GLN A 31 -8.033 7.992 -9.591 1.00 0.00 N ATOM 0 H GLN A 31 -7.624 5.400 -4.254 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.234 7.812 -4.774 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.309 5.991 -6.383 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.055 6.094 -6.490 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.680 8.579 -7.207 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.003 8.128 -7.443 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.262 8.931 -9.264 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.311 7.696 -10.526 1.00 0.00 H new ATOM 505 N ASP A 32 -9.518 7.961 -5.110 1.00 0.00 N ATOM 506 CA ASP A 32 -10.655 8.865 -5.078 1.00 0.00 C ATOM 507 C ASP A 32 -10.662 9.622 -3.749 1.00 0.00 C ATOM 508 O ASP A 32 -11.163 10.743 -3.671 1.00 0.00 O ATOM 509 CB ASP A 32 -11.974 8.097 -5.192 1.00 0.00 C ATOM 510 CG ASP A 32 -12.991 8.699 -6.163 1.00 0.00 C ATOM 511 OD1 ASP A 32 -12.812 8.482 -7.380 1.00 0.00 O ATOM 512 OD2 ASP A 32 -13.926 9.363 -5.664 1.00 0.00 O ATOM 0 H ASP A 32 -9.751 6.991 -5.322 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.564 9.551 -5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.756 7.076 -5.504 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.429 8.038 -4.203 1.00 0.00 H new ATOM 517 N LYS A 33 -10.100 8.979 -2.736 1.00 0.00 N ATOM 518 CA LYS A 33 -10.035 9.578 -1.413 1.00 0.00 C ATOM 519 C LYS A 33 -8.959 10.665 -1.403 1.00 0.00 C ATOM 520 O LYS A 33 -9.269 11.853 -1.478 1.00 0.00 O ATOM 521 CB LYS A 33 -9.833 8.501 -0.346 1.00 0.00 C ATOM 522 CG LYS A 33 -11.134 8.225 0.408 1.00 0.00 C ATOM 523 CD LYS A 33 -11.074 8.786 1.831 1.00 0.00 C ATOM 524 CE LYS A 33 -11.644 10.206 1.884 1.00 0.00 C ATOM 525 NZ LYS A 33 -10.667 11.133 2.495 1.00 0.00 N ATOM 0 H LYS A 33 -9.686 8.050 -2.804 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.980 10.063 -1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.478 7.583 -0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.062 8.820 0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.971 8.673 -0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.316 7.151 0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.636 8.139 2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.042 8.791 2.181 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.893 10.542 0.877 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.569 10.212 2.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.069 12.092 2.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.450 10.820 3.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.794 11.140 1.929 1.00 0.00 H new ATOM 539 N GLU A 34 -7.714 10.219 -1.308 1.00 0.00 N ATOM 540 CA GLU A 34 -6.590 11.139 -1.286 1.00 0.00 C ATOM 541 C GLU A 34 -6.425 11.808 -2.651 1.00 0.00 C ATOM 542 O GLU A 34 -6.467 13.033 -2.755 1.00 0.00 O ATOM 543 CB GLU A 34 -5.304 10.422 -0.868 1.00 0.00 C ATOM 544 CG GLU A 34 -5.365 9.998 0.601 1.00 0.00 C ATOM 545 CD GLU A 34 -5.282 8.476 0.736 1.00 0.00 C ATOM 546 OE1 GLU A 34 -4.252 7.922 0.293 1.00 0.00 O ATOM 547 OE2 GLU A 34 -6.251 7.901 1.278 1.00 0.00 O ATOM 0 H GLU A 34 -7.460 9.233 -1.245 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.793 11.913 -0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.151 9.545 -1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.449 11.080 -1.025 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.546 10.461 1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.292 10.356 1.049 1.00 0.00 H new ATOM 554 N GLY A 35 -6.241 10.976 -3.665 1.00 0.00 N ATOM 555 CA GLY A 35 -6.069 11.471 -5.020 1.00 0.00 C ATOM 556 C GLY A 35 -4.733 11.014 -5.607 1.00 0.00 C ATOM 557 O GLY A 35 -4.245 11.594 -6.575 1.00 0.00 O ATOM 0 H GLY A 35 -6.207 9.961 -3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.886 11.115 -5.647 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.117 12.560 -5.022 1.00 0.00 H new ATOM 561 N ILE A 36 -4.178 9.977 -4.995 1.00 0.00 N ATOM 562 CA ILE A 36 -2.907 9.436 -5.444 1.00 0.00 C ATOM 563 C ILE A 36 -3.163 8.362 -6.505 1.00 0.00 C ATOM 564 O ILE A 36 -4.127 7.606 -6.409 1.00 0.00 O ATOM 565 CB ILE A 36 -2.085 8.939 -4.254 1.00 0.00 C ATOM 566 CG1 ILE A 36 -1.712 10.097 -3.325 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.854 8.161 -4.724 1.00 0.00 C ATOM 568 CD1 ILE A 36 -1.658 9.635 -1.868 1.00 0.00 C ATOM 0 H ILE A 36 -4.586 9.498 -4.192 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.306 10.215 -5.914 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.700 8.248 -3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.744 10.505 -3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.441 10.901 -3.429 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.287 7.819 -3.858 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.171 7.300 -5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.226 8.809 -5.336 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.391 10.477 -1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.634 9.250 -1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.911 8.848 -1.763 1.00 0.00 H new ATOM 580 N PRO A 37 -2.256 8.330 -7.519 1.00 0.00 N ATOM 581 CA PRO A 37 -2.374 7.363 -8.597 1.00 0.00 C ATOM 582 C PRO A 37 -1.953 5.968 -8.129 1.00 0.00 C ATOM 583 O PRO A 37 -1.081 5.834 -7.273 1.00 0.00 O ATOM 584 CB PRO A 37 -1.495 7.906 -9.712 1.00 0.00 C ATOM 585 CG PRO A 37 -0.559 8.907 -9.053 1.00 0.00 C ATOM 586 CD PRO A 37 -1.101 9.210 -7.667 1.00 0.00 C ATOM 0 HA PRO A 37 -3.401 7.241 -8.942 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.934 7.105 -10.193 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.096 8.384 -10.486 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.450 8.500 -8.988 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.497 9.819 -9.646 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.353 9.014 -6.898 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.387 10.258 -7.574 1.00 0.00 H new ATOM 594 N PRO A 38 -2.608 4.938 -8.730 1.00 0.00 N ATOM 595 CA PRO A 38 -2.311 3.558 -8.385 1.00 0.00 C ATOM 596 C PRO A 38 -0.981 3.114 -8.997 1.00 0.00 C ATOM 597 O PRO A 38 -0.349 2.180 -8.508 1.00 0.00 O ATOM 598 CB PRO A 38 -3.497 2.759 -8.898 1.00 0.00 C ATOM 599 CG PRO A 38 -4.190 3.650 -9.916 1.00 0.00 C ATOM 600 CD PRO A 38 -3.646 5.060 -9.750 1.00 0.00 C ATOM 0 HA PRO A 38 -2.184 3.411 -7.312 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.170 1.825 -9.355 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.173 2.497 -8.084 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.007 3.287 -10.928 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.269 3.637 -9.763 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.238 5.440 -10.687 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.428 5.752 -9.439 1.00 0.00 H new ATOM 608 N ASP A 39 -0.594 3.807 -10.059 1.00 0.00 N ATOM 609 CA ASP A 39 0.649 3.495 -10.744 1.00 0.00 C ATOM 610 C ASP A 39 1.828 3.860 -9.840 1.00 0.00 C ATOM 611 O ASP A 39 2.821 3.135 -9.787 1.00 0.00 O ATOM 612 CB ASP A 39 0.780 4.299 -12.039 1.00 0.00 C ATOM 613 CG ASP A 39 -0.125 3.835 -13.182 1.00 0.00 C ATOM 614 OD1 ASP A 39 -0.977 2.961 -12.913 1.00 0.00 O ATOM 615 OD2 ASP A 39 0.056 4.365 -14.300 1.00 0.00 O ATOM 0 H ASP A 39 -1.120 4.583 -10.461 1.00 0.00 H new ATOM 0 HA ASP A 39 0.648 2.431 -10.979 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.561 5.345 -11.824 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.816 4.253 -12.374 1.00 0.00 H new ATOM 620 N GLN A 40 1.681 4.982 -9.153 1.00 0.00 N ATOM 621 CA GLN A 40 2.722 5.451 -8.253 1.00 0.00 C ATOM 622 C GLN A 40 2.453 4.962 -6.829 1.00 0.00 C ATOM 623 O GLN A 40 3.149 5.354 -5.892 1.00 0.00 O ATOM 624 CB GLN A 40 2.839 6.975 -8.297 1.00 0.00 C ATOM 625 CG GLN A 40 4.303 7.411 -8.370 1.00 0.00 C ATOM 626 CD GLN A 40 4.870 7.198 -9.776 1.00 0.00 C ATOM 627 OE1 GLN A 40 4.150 6.983 -10.737 1.00 0.00 O ATOM 628 NE2 GLN A 40 6.196 7.270 -9.842 1.00 0.00 N ATOM 0 H GLN A 40 0.857 5.581 -9.201 1.00 0.00 H new ATOM 0 HA GLN A 40 3.675 5.037 -8.584 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.298 7.360 -9.161 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.372 7.405 -7.411 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.387 8.463 -8.096 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.891 6.845 -7.647 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.739 7.453 -8.998 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.670 7.142 -10.736 1.00 0.00 H new ATOM 637 N GLN A 41 1.442 4.114 -6.708 1.00 0.00 N ATOM 638 CA GLN A 41 1.072 3.568 -5.414 1.00 0.00 C ATOM 639 C GLN A 41 1.772 2.227 -5.184 1.00 0.00 C ATOM 640 O GLN A 41 1.739 1.349 -6.045 1.00 0.00 O ATOM 641 CB GLN A 41 -0.446 3.422 -5.294 1.00 0.00 C ATOM 642 CG GLN A 41 -0.918 3.755 -3.877 1.00 0.00 C ATOM 643 CD GLN A 41 -1.875 4.949 -3.884 1.00 0.00 C ATOM 644 OE1 GLN A 41 -1.780 5.858 -3.077 1.00 0.00 O ATOM 645 NE2 GLN A 41 -2.799 4.896 -4.839 1.00 0.00 N ATOM 0 H GLN A 41 0.867 3.792 -7.486 1.00 0.00 H new ATOM 0 HA GLN A 41 1.399 4.264 -4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.936 4.083 -6.009 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.738 2.403 -5.549 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.416 2.888 -3.443 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.057 3.978 -3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.822 4.105 -5.483 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.484 5.646 -4.928 1.00 0.00 H new ATOM 654 N ARG A 42 2.389 2.111 -4.017 1.00 0.00 N ATOM 655 CA ARG A 42 3.096 0.892 -3.664 1.00 0.00 C ATOM 656 C ARG A 42 2.739 0.466 -2.238 1.00 0.00 C ATOM 657 O ARG A 42 3.268 1.012 -1.272 1.00 0.00 O ATOM 658 CB ARG A 42 4.611 1.083 -3.766 1.00 0.00 C ATOM 659 CG ARG A 42 5.285 -0.167 -4.335 1.00 0.00 C ATOM 660 CD ARG A 42 6.773 0.079 -4.589 1.00 0.00 C ATOM 661 NE ARG A 42 7.355 -1.060 -5.333 1.00 0.00 N ATOM 662 CZ ARG A 42 8.555 -1.034 -5.929 1.00 0.00 C ATOM 663 NH1 ARG A 42 9.306 0.075 -5.873 1.00 0.00 N ATOM 664 NH2 ARG A 42 9.002 -2.114 -6.583 1.00 0.00 N ATOM 0 H ARG A 42 2.414 2.841 -3.305 1.00 0.00 H new ATOM 0 HA ARG A 42 2.791 0.117 -4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.831 1.940 -4.402 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.020 1.304 -2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.164 -0.998 -3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.797 -0.456 -5.266 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.906 1.000 -5.156 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.295 0.210 -3.641 1.00 0.00 H new ATOM 0 HE ARG A 42 6.808 -1.919 -5.396 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.964 0.898 -5.377 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.220 0.096 -6.326 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.429 -2.957 -6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.915 -2.094 -7.037 1.00 0.00 H new ATOM 678 N LEU A 43 1.843 -0.507 -2.152 1.00 0.00 N ATOM 679 CA LEU A 43 1.408 -1.012 -0.861 1.00 0.00 C ATOM 680 C LEU A 43 2.187 -2.285 -0.528 1.00 0.00 C ATOM 681 O LEU A 43 2.132 -3.264 -1.272 1.00 0.00 O ATOM 682 CB LEU A 43 -0.111 -1.198 -0.842 1.00 0.00 C ATOM 683 CG LEU A 43 -0.932 -0.071 -1.473 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.415 -0.211 -1.123 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.377 1.300 -1.077 1.00 0.00 C ATOM 0 H LEU A 43 1.407 -0.959 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 43 1.627 -0.289 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.350 -2.128 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.430 -1.317 0.193 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.847 -0.152 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.976 0.602 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.788 -1.165 -1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.539 -0.170 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.978 2.083 -1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.412 1.407 0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.655 1.387 -1.417 1.00 0.00 H new ATOM 697 N ILE A 44 2.895 -2.233 0.591 1.00 0.00 N ATOM 698 CA ILE A 44 3.685 -3.370 1.032 1.00 0.00 C ATOM 699 C ILE A 44 2.969 -4.063 2.193 1.00 0.00 C ATOM 700 O ILE A 44 2.374 -3.402 3.042 1.00 0.00 O ATOM 701 CB ILE A 44 5.113 -2.934 1.363 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.825 -2.398 0.119 1.00 0.00 C ATOM 703 CG2 ILE A 44 5.894 -4.071 2.024 1.00 0.00 C ATOM 704 CD1 ILE A 44 6.336 -0.974 0.350 1.00 0.00 C ATOM 0 H ILE A 44 2.938 -1.420 1.206 1.00 0.00 H new ATOM 0 HA ILE A 44 3.778 -4.103 0.231 1.00 0.00 H new ATOM 0 HB ILE A 44 5.062 -2.117 2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.660 -3.051 -0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.141 -2.409 -0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.906 -3.735 2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.396 -4.366 2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.937 -4.924 1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.838 -0.617 -0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.496 -0.319 0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.039 -0.970 1.183 1.00 0.00 H new ATOM 716 N PHE A 45 3.051 -5.385 2.191 1.00 0.00 N ATOM 717 CA PHE A 45 2.417 -6.175 3.233 1.00 0.00 C ATOM 718 C PHE A 45 3.123 -7.522 3.405 1.00 0.00 C ATOM 719 O PHE A 45 3.277 -8.273 2.444 1.00 0.00 O ATOM 720 CB PHE A 45 0.973 -6.423 2.793 1.00 0.00 C ATOM 721 CG PHE A 45 -0.007 -6.613 3.952 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.174 -7.630 4.836 1.00 0.00 C ATOM 723 CD2 PHE A 45 -1.060 -5.765 4.098 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.735 -7.807 5.912 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.970 -5.942 5.174 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.788 -6.959 6.059 1.00 0.00 C ATOM 0 H PHE A 45 3.547 -5.929 1.485 1.00 0.00 H new ATOM 0 HA PHE A 45 2.466 -5.644 4.184 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.640 -5.583 2.184 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.945 -7.308 2.158 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.010 -8.304 4.720 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.204 -4.957 3.396 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.590 -8.615 6.614 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.807 -5.269 5.290 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.479 -7.093 6.878 1.00 0.00 H new ATOM 736 N ALA A 46 3.532 -7.786 4.637 1.00 0.00 N ATOM 737 CA ALA A 46 4.217 -9.030 4.948 1.00 0.00 C ATOM 738 C ALA A 46 5.510 -9.111 4.133 1.00 0.00 C ATOM 739 O ALA A 46 6.087 -10.188 3.983 1.00 0.00 O ATOM 740 CB ALA A 46 3.282 -10.210 4.677 1.00 0.00 C ATOM 0 H ALA A 46 3.402 -7.160 5.432 1.00 0.00 H new ATOM 0 HA ALA A 46 4.488 -9.066 6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.796 -11.142 4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.393 -10.120 5.301 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.990 -10.209 3.627 1.00 0.00 H new ATOM 746 N GLY A 47 5.927 -7.960 3.628 1.00 0.00 N ATOM 747 CA GLY A 47 7.141 -7.888 2.832 1.00 0.00 C ATOM 748 C GLY A 47 6.837 -8.100 1.348 1.00 0.00 C ATOM 749 O GLY A 47 7.728 -7.994 0.506 1.00 0.00 O ATOM 0 H GLY A 47 5.446 -7.069 3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.616 -6.918 2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.849 -8.643 3.173 1.00 0.00 H new ATOM 753 N LYS A 48 5.575 -8.395 1.071 1.00 0.00 N ATOM 754 CA LYS A 48 5.142 -8.624 -0.297 1.00 0.00 C ATOM 755 C LYS A 48 4.293 -7.438 -0.762 1.00 0.00 C ATOM 756 O LYS A 48 3.458 -6.935 -0.013 1.00 0.00 O ATOM 757 CB LYS A 48 4.432 -9.973 -0.416 1.00 0.00 C ATOM 758 CG LYS A 48 4.894 -10.729 -1.664 1.00 0.00 C ATOM 759 CD LYS A 48 4.936 -12.236 -1.409 1.00 0.00 C ATOM 760 CE LYS A 48 5.092 -13.009 -2.719 1.00 0.00 C ATOM 761 NZ LYS A 48 6.195 -13.991 -2.614 1.00 0.00 N ATOM 0 H LYS A 48 4.838 -8.481 1.771 1.00 0.00 H new ATOM 0 HA LYS A 48 6.002 -8.684 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.633 -10.573 0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.354 -9.818 -0.459 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.219 -10.516 -2.493 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.883 -10.379 -1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.765 -12.473 -0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.022 -12.549 -0.905 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.161 -13.523 -2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.291 -12.315 -3.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.287 -14.507 -3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.085 -13.493 -2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.989 -14.664 -1.848 1.00 0.00 H new ATOM 775 N GLN A 49 4.536 -7.028 -1.998 1.00 0.00 N ATOM 776 CA GLN A 49 3.805 -5.912 -2.574 1.00 0.00 C ATOM 777 C GLN A 49 2.457 -6.386 -3.123 1.00 0.00 C ATOM 778 O GLN A 49 2.380 -7.428 -3.772 1.00 0.00 O ATOM 779 CB GLN A 49 4.627 -5.219 -3.661 1.00 0.00 C ATOM 780 CG GLN A 49 4.787 -6.123 -4.887 1.00 0.00 C ATOM 781 CD GLN A 49 5.810 -5.542 -5.866 1.00 0.00 C ATOM 782 OE1 GLN A 49 6.977 -5.373 -5.557 1.00 0.00 O ATOM 783 NE2 GLN A 49 5.306 -5.250 -7.062 1.00 0.00 N ATOM 0 H GLN A 49 5.229 -7.449 -2.617 1.00 0.00 H new ATOM 0 HA GLN A 49 3.618 -5.182 -1.787 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.141 -4.288 -3.952 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.609 -4.956 -3.268 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.104 -7.117 -4.572 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.825 -6.238 -5.386 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.318 -5.417 -7.254 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.907 -4.859 -7.787 1.00 0.00 H new ATOM 792 N LEU A 50 1.429 -5.598 -2.841 1.00 0.00 N ATOM 793 CA LEU A 50 0.090 -5.925 -3.300 1.00 0.00 C ATOM 794 C LEU A 50 0.007 -5.713 -4.812 1.00 0.00 C ATOM 795 O LEU A 50 0.150 -4.590 -5.295 1.00 0.00 O ATOM 796 CB LEU A 50 -0.953 -5.133 -2.509 1.00 0.00 C ATOM 797 CG LEU A 50 -0.759 -5.094 -0.992 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.883 -4.308 -0.315 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.621 -6.505 -0.420 1.00 0.00 C ATOM 0 H LEU A 50 1.497 -4.735 -2.301 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.131 -6.976 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.960 -4.108 -2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.936 -5.555 -2.719 1.00 0.00 H new ATOM 0 HG LEU A 50 0.173 -4.569 -0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.721 -4.296 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.890 -3.285 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.840 -4.782 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.484 -6.448 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.522 -7.077 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.241 -6.997 -0.870 1.00 0.00 H new ATOM 811 N GLU A 51 -0.224 -6.810 -5.519 1.00 0.00 N ATOM 812 CA GLU A 51 -0.329 -6.758 -6.968 1.00 0.00 C ATOM 813 C GLU A 51 -1.776 -6.489 -7.386 1.00 0.00 C ATOM 814 O GLU A 51 -2.656 -7.316 -7.157 1.00 0.00 O ATOM 815 CB GLU A 51 0.195 -8.048 -7.601 1.00 0.00 C ATOM 816 CG GLU A 51 1.562 -8.426 -7.028 1.00 0.00 C ATOM 817 CD GLU A 51 1.513 -9.800 -6.356 1.00 0.00 C ATOM 818 OE1 GLU A 51 0.458 -10.103 -5.759 1.00 0.00 O ATOM 819 OE2 GLU A 51 2.533 -10.516 -6.453 1.00 0.00 O ATOM 0 H GLU A 51 -0.341 -7.740 -5.116 1.00 0.00 H new ATOM 0 HA GLU A 51 0.291 -5.937 -7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.513 -8.857 -7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.272 -7.922 -8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.305 -8.433 -7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.878 -7.674 -6.305 1.00 0.00 H new ATOM 826 N ASP A 52 -1.976 -5.327 -7.994 1.00 0.00 N ATOM 827 CA ASP A 52 -3.300 -4.940 -8.447 1.00 0.00 C ATOM 828 C ASP A 52 -3.941 -6.108 -9.198 1.00 0.00 C ATOM 829 O ASP A 52 -3.567 -6.400 -10.334 1.00 0.00 O ATOM 830 CB ASP A 52 -3.228 -3.746 -9.402 1.00 0.00 C ATOM 831 CG ASP A 52 -2.845 -2.417 -8.748 1.00 0.00 C ATOM 832 OD1 ASP A 52 -3.499 -2.070 -7.741 1.00 0.00 O ATOM 833 OD2 ASP A 52 -1.906 -1.779 -9.270 1.00 0.00 O ATOM 0 H ASP A 52 -1.243 -4.643 -8.182 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.889 -4.667 -7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.504 -3.970 -10.186 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.197 -3.629 -9.887 1.00 0.00 H new ATOM 838 N GLY A 53 -4.894 -6.746 -8.535 1.00 0.00 N ATOM 839 CA GLY A 53 -5.589 -7.877 -9.126 1.00 0.00 C ATOM 840 C GLY A 53 -5.846 -8.968 -8.085 1.00 0.00 C ATOM 841 O GLY A 53 -6.616 -9.896 -8.329 1.00 0.00 O ATOM 0 H GLY A 53 -5.201 -6.501 -7.594 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.536 -7.545 -9.551 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.997 -8.284 -9.946 1.00 0.00 H new ATOM 845 N ARG A 54 -5.187 -8.820 -6.945 1.00 0.00 N ATOM 846 CA ARG A 54 -5.334 -9.782 -5.865 1.00 0.00 C ATOM 847 C ARG A 54 -6.368 -9.288 -4.852 1.00 0.00 C ATOM 848 O ARG A 54 -6.600 -8.086 -4.732 1.00 0.00 O ATOM 849 CB ARG A 54 -4.001 -10.016 -5.151 1.00 0.00 C ATOM 850 CG ARG A 54 -3.128 -11.001 -5.930 1.00 0.00 C ATOM 851 CD ARG A 54 -3.432 -12.444 -5.522 1.00 0.00 C ATOM 852 NE ARG A 54 -2.170 -13.176 -5.271 1.00 0.00 N ATOM 853 CZ ARG A 54 -2.099 -14.496 -5.046 1.00 0.00 C ATOM 854 NH1 ARG A 54 -3.216 -15.235 -5.039 1.00 0.00 N ATOM 855 NH2 ARG A 54 -0.911 -15.075 -4.827 1.00 0.00 N ATOM 0 H ARG A 54 -4.550 -8.049 -6.745 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.669 -10.723 -6.302 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.474 -9.069 -5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.184 -10.401 -4.148 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.300 -10.878 -6.999 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.076 -10.782 -5.749 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.052 -12.454 -4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.000 -12.941 -6.308 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.300 -12.643 -5.269 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.121 -14.794 -5.205 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.162 -16.239 -4.868 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.061 -14.512 -4.831 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.857 -16.079 -4.656 1.00 0.00 H new ATOM 869 N THR A 55 -6.962 -10.241 -4.148 1.00 0.00 N ATOM 870 CA THR A 55 -7.966 -9.918 -3.149 1.00 0.00 C ATOM 871 C THR A 55 -7.337 -9.876 -1.755 1.00 0.00 C ATOM 872 O THR A 55 -6.435 -10.656 -1.454 1.00 0.00 O ATOM 873 CB THR A 55 -9.101 -10.936 -3.273 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.435 -12.169 -3.531 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.959 -10.707 -4.519 1.00 0.00 C ATOM 0 H THR A 55 -6.767 -11.237 -4.250 1.00 0.00 H new ATOM 0 HA THR A 55 -8.382 -8.924 -3.314 1.00 0.00 H new ATOM 0 HB THR A 55 -9.731 -10.887 -2.385 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.097 -12.885 -3.624 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.750 -11.456 -4.559 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.403 -9.713 -4.477 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.336 -10.789 -5.410 1.00 0.00 H new ATOM 883 N LEU A 56 -7.838 -8.959 -0.941 1.00 0.00 N ATOM 884 CA LEU A 56 -7.336 -8.806 0.414 1.00 0.00 C ATOM 885 C LEU A 56 -7.495 -10.129 1.165 1.00 0.00 C ATOM 886 O LEU A 56 -6.645 -10.494 1.976 1.00 0.00 O ATOM 887 CB LEU A 56 -8.015 -7.621 1.106 1.00 0.00 C ATOM 888 CG LEU A 56 -7.761 -6.246 0.484 1.00 0.00 C ATOM 889 CD1 LEU A 56 -8.836 -5.245 0.912 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.351 -5.750 0.810 1.00 0.00 C ATOM 0 H LEU A 56 -8.587 -8.314 -1.194 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.271 -8.572 0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.090 -7.800 1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.685 -7.595 2.145 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.825 -6.342 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.633 -4.276 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.814 -5.600 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.828 -5.145 1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.196 -4.771 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.234 -5.672 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.618 -6.453 0.415 1.00 0.00 H new ATOM 902 N SER A 57 -8.590 -10.814 0.868 1.00 0.00 N ATOM 903 CA SER A 57 -8.872 -12.090 1.504 1.00 0.00 C ATOM 904 C SER A 57 -7.771 -13.097 1.164 1.00 0.00 C ATOM 905 O SER A 57 -7.278 -13.803 2.043 1.00 0.00 O ATOM 906 CB SER A 57 -10.237 -12.630 1.076 1.00 0.00 C ATOM 907 OG SER A 57 -10.524 -13.891 1.674 1.00 0.00 O ATOM 0 H SER A 57 -9.293 -10.509 0.195 1.00 0.00 H new ATOM 0 HA SER A 57 -8.896 -11.937 2.583 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.012 -11.914 1.350 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.264 -12.729 -0.009 1.00 0.00 H new ATOM 0 HG SER A 57 -11.405 -14.201 1.377 1.00 0.00 H new ATOM 913 N ASP A 58 -7.419 -13.134 -0.113 1.00 0.00 N ATOM 914 CA ASP A 58 -6.388 -14.043 -0.579 1.00 0.00 C ATOM 915 C ASP A 58 -5.053 -13.672 0.072 1.00 0.00 C ATOM 916 O ASP A 58 -4.100 -14.447 0.030 1.00 0.00 O ATOM 917 CB ASP A 58 -6.215 -13.949 -2.097 1.00 0.00 C ATOM 918 CG ASP A 58 -6.791 -15.127 -2.886 1.00 0.00 C ATOM 919 OD1 ASP A 58 -6.728 -16.254 -2.351 1.00 0.00 O ATOM 920 OD2 ASP A 58 -7.280 -14.873 -4.008 1.00 0.00 O ATOM 0 H ASP A 58 -7.831 -12.548 -0.839 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.687 -15.056 -0.312 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.688 -13.031 -2.446 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.152 -13.865 -2.322 1.00 0.00 H new ATOM 925 N TYR A 59 -5.029 -12.483 0.658 1.00 0.00 N ATOM 926 CA TYR A 59 -3.828 -11.999 1.316 1.00 0.00 C ATOM 927 C TYR A 59 -3.903 -12.222 2.829 1.00 0.00 C ATOM 928 O TYR A 59 -2.903 -12.082 3.531 1.00 0.00 O ATOM 929 CB TYR A 59 -3.771 -10.495 1.037 1.00 0.00 C ATOM 930 CG TYR A 59 -2.906 -10.118 -0.167 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.602 -10.564 -0.245 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.429 -9.333 -1.174 1.00 0.00 C ATOM 933 CE1 TYR A 59 -0.786 -10.208 -1.379 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.614 -8.979 -2.307 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.334 -9.434 -2.354 1.00 0.00 C ATOM 936 OH TYR A 59 -0.564 -9.099 -3.424 1.00 0.00 O ATOM 0 H TYR A 59 -5.822 -11.842 0.690 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.949 -12.527 0.946 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.784 -10.128 0.873 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.387 -9.986 1.921 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.193 -11.179 0.543 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.449 -8.984 -1.112 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.236 -10.548 -1.453 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.011 -8.365 -3.102 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.491 -9.867 -4.028 1.00 0.00 H new ATOM 946 N ASN A 60 -5.099 -12.565 3.284 1.00 0.00 N ATOM 947 CA ASN A 60 -5.317 -12.810 4.701 1.00 0.00 C ATOM 948 C ASN A 60 -5.027 -11.529 5.485 1.00 0.00 C ATOM 949 O ASN A 60 -4.134 -11.504 6.330 1.00 0.00 O ATOM 950 CB ASN A 60 -4.385 -13.905 5.220 1.00 0.00 C ATOM 951 CG ASN A 60 -5.004 -14.630 6.418 1.00 0.00 C ATOM 952 OD1 ASN A 60 -6.127 -14.373 6.818 1.00 0.00 O ATOM 953 ND2 ASN A 60 -4.211 -15.547 6.965 1.00 0.00 N ATOM 0 H ASN A 60 -5.926 -12.679 2.698 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.352 -13.126 4.834 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.180 -14.620 4.424 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.430 -13.467 5.509 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.533 -16.085 7.770 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.281 -15.712 6.580 1.00 0.00 H new ATOM 960 N ILE A 61 -5.798 -10.497 5.178 1.00 0.00 N ATOM 961 CA ILE A 61 -5.635 -9.216 5.844 1.00 0.00 C ATOM 962 C ILE A 61 -6.484 -9.195 7.116 1.00 0.00 C ATOM 963 O ILE A 61 -7.636 -9.624 7.105 1.00 0.00 O ATOM 964 CB ILE A 61 -5.943 -8.068 4.880 1.00 0.00 C ATOM 965 CG1 ILE A 61 -5.225 -8.266 3.543 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.612 -6.716 5.515 1.00 0.00 C ATOM 967 CD1 ILE A 61 -3.749 -7.874 3.651 1.00 0.00 C ATOM 0 H ILE A 61 -6.538 -10.522 4.476 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.598 -9.075 6.150 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.013 -8.073 4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.307 -9.308 3.233 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.709 -7.665 2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.840 -5.917 4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.207 -6.583 6.418 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.553 -6.683 5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.261 -8.024 2.688 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.671 -6.825 3.938 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.262 -8.493 4.404 1.00 0.00 H new ATOM 979 N GLN A 62 -5.881 -8.693 8.183 1.00 0.00 N ATOM 980 CA GLN A 62 -6.567 -8.611 9.462 1.00 0.00 C ATOM 981 C GLN A 62 -7.174 -7.219 9.651 1.00 0.00 C ATOM 982 O GLN A 62 -6.683 -6.243 9.086 1.00 0.00 O ATOM 983 CB GLN A 62 -5.624 -8.959 10.614 1.00 0.00 C ATOM 984 CG GLN A 62 -4.700 -10.119 10.236 1.00 0.00 C ATOM 985 CD GLN A 62 -5.438 -11.456 10.320 1.00 0.00 C ATOM 986 OE1 GLN A 62 -6.487 -11.579 10.931 1.00 0.00 O ATOM 987 NE2 GLN A 62 -4.833 -12.450 9.674 1.00 0.00 N ATOM 0 H GLN A 62 -4.925 -8.339 8.189 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.376 -9.342 9.465 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.028 -8.085 10.877 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.205 -9.225 11.497 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.320 -9.972 9.225 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.837 -10.133 10.902 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.956 -12.279 9.182 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.246 -13.382 9.671 1.00 0.00 H new ATOM 996 N LYS A 63 -8.233 -7.173 10.446 1.00 0.00 N ATOM 997 CA LYS A 63 -8.911 -5.917 10.716 1.00 0.00 C ATOM 998 C LYS A 63 -7.884 -4.871 11.155 1.00 0.00 C ATOM 999 O LYS A 63 -7.062 -5.133 12.033 1.00 0.00 O ATOM 1000 CB LYS A 63 -10.044 -6.126 11.723 1.00 0.00 C ATOM 1001 CG LYS A 63 -10.893 -7.343 11.350 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.556 -8.541 12.240 1.00 0.00 C ATOM 1003 CE LYS A 63 -10.693 -9.855 11.467 1.00 0.00 C ATOM 1004 NZ LYS A 63 -10.901 -10.985 12.400 1.00 0.00 N ATOM 0 H LYS A 63 -8.638 -7.985 10.912 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.385 -5.538 9.811 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.628 -6.261 12.721 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.673 -5.236 11.758 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.950 -7.097 11.450 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.723 -7.603 10.305 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.539 -8.442 12.619 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.219 -8.553 13.105 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.531 -9.790 10.773 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.797 -10.028 10.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.992 -11.869 11.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.089 -11.056 13.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.768 -10.825 12.951 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.964 -3.709 10.524 1.00 0.00 N ATOM 1019 CA GLU A 64 -7.052 -2.623 10.839 1.00 0.00 C ATOM 1020 C GLU A 64 -5.602 -3.093 10.708 1.00 0.00 C ATOM 1021 O GLU A 64 -4.819 -2.973 11.650 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.324 -2.065 12.237 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.816 -1.799 12.441 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.050 -0.858 13.625 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -8.136 -0.780 14.475 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -10.136 -0.240 13.654 1.00 0.00 O ATOM 0 H GLU A 64 -8.646 -3.496 9.796 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.218 -1.817 10.125 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.971 -2.771 12.989 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.764 -1.141 12.379 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.238 -1.362 11.536 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.337 -2.741 12.613 1.00 0.00 H new ATOM 1033 N SER A 65 -5.287 -3.618 9.533 1.00 0.00 N ATOM 1034 CA SER A 65 -3.945 -4.107 9.268 1.00 0.00 C ATOM 1035 C SER A 65 -2.987 -2.929 9.076 1.00 0.00 C ATOM 1036 O SER A 65 -3.423 -1.787 8.938 1.00 0.00 O ATOM 1037 CB SER A 65 -3.923 -5.015 8.036 1.00 0.00 C ATOM 1038 OG SER A 65 -4.346 -6.340 8.344 1.00 0.00 O ATOM 0 H SER A 65 -5.938 -3.715 8.754 1.00 0.00 H new ATOM 0 HA SER A 65 -3.620 -4.696 10.126 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.571 -4.597 7.266 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.914 -5.043 7.624 1.00 0.00 H new ATOM 0 HG SER A 65 -5.002 -6.313 9.072 1.00 0.00 H new ATOM 1044 N THR A 66 -1.701 -3.247 9.071 1.00 0.00 N ATOM 1045 CA THR A 66 -0.679 -2.230 8.898 1.00 0.00 C ATOM 1046 C THR A 66 -0.060 -2.327 7.502 1.00 0.00 C ATOM 1047 O THR A 66 0.800 -3.172 7.258 1.00 0.00 O ATOM 1048 CB THR A 66 0.342 -2.388 10.027 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.303 -1.814 11.161 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.581 -1.515 9.822 1.00 0.00 C ATOM 0 H THR A 66 -1.344 -4.196 9.184 1.00 0.00 H new ATOM 0 HA THR A 66 -1.104 -1.228 8.962 1.00 0.00 H new ATOM 0 HB THR A 66 0.643 -3.433 10.101 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.289 -1.876 11.940 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.273 -1.665 10.651 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.069 -1.790 8.887 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.285 -0.467 9.782 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.523 -1.452 6.623 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.026 -1.428 5.257 1.00 0.00 C ATOM 1060 C LEU A 67 0.906 -0.229 5.078 1.00 0.00 C ATOM 1061 O LEU A 67 0.715 0.810 5.709 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.189 -1.457 4.263 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.118 -2.670 4.352 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.258 -2.415 5.339 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.635 -3.068 2.969 1.00 0.00 C ATOM 0 H LEU A 67 -1.237 -0.754 6.829 1.00 0.00 H new ATOM 0 HA LEU A 67 0.562 -2.322 5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.786 -0.556 4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.780 -1.411 3.254 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.543 -3.513 4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.904 -3.292 5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.845 -2.217 6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.839 -1.553 5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.293 -3.932 3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.188 -2.236 2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.793 -3.320 2.324 1.00 0.00 H new ATOM 1077 N HIS A 68 1.894 -0.411 4.214 1.00 0.00 N ATOM 1078 CA HIS A 68 2.856 0.644 3.945 1.00 0.00 C ATOM 1079 C HIS A 68 2.598 1.231 2.556 1.00 0.00 C ATOM 1080 O HIS A 68 2.802 0.558 1.546 1.00 0.00 O ATOM 1081 CB HIS A 68 4.287 0.130 4.115 1.00 0.00 C ATOM 1082 CG HIS A 68 4.600 -0.368 5.506 1.00 0.00 C ATOM 1083 ND1 HIS A 68 4.643 -1.713 5.827 1.00 0.00 N ATOM 1084 CD2 HIS A 68 4.884 0.312 6.653 1.00 0.00 C ATOM 1085 CE1 HIS A 68 4.940 -1.826 7.114 1.00 0.00 C ATOM 1086 NE2 HIS A 68 5.088 -0.570 7.624 1.00 0.00 N ATOM 0 H HIS A 68 2.049 -1.273 3.691 1.00 0.00 H new ATOM 0 HA HIS A 68 2.732 1.448 4.670 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.459 -0.678 3.404 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.982 0.931 3.862 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.934 1.386 6.754 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.046 -2.750 7.662 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.318 -0.345 8.592 1.00 0.00 H new ATOM 1094 N LEU A 69 2.155 2.479 2.549 1.00 0.00 N ATOM 1095 CA LEU A 69 1.866 3.164 1.300 1.00 0.00 C ATOM 1096 C LEU A 69 3.086 3.987 0.883 1.00 0.00 C ATOM 1097 O LEU A 69 3.282 5.103 1.365 1.00 0.00 O ATOM 1098 CB LEU A 69 0.582 3.987 1.424 1.00 0.00 C ATOM 1099 CG LEU A 69 0.454 5.178 0.472 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.349 4.710 -0.981 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -0.719 6.075 0.872 1.00 0.00 C ATOM 0 H LEU A 69 1.989 3.034 3.388 1.00 0.00 H new ATOM 0 HA LEU A 69 1.678 2.443 0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.268 3.324 1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.508 4.355 2.447 1.00 0.00 H new ATOM 0 HG LEU A 69 1.360 5.778 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.259 5.576 -1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.242 4.145 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.529 4.075 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.788 6.914 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.644 5.500 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.561 6.451 1.883 1.00 0.00 H new ATOM 1113 N VAL A 70 3.875 3.407 -0.010 1.00 0.00 N ATOM 1114 CA VAL A 70 5.070 4.073 -0.498 1.00 0.00 C ATOM 1115 C VAL A 70 4.905 4.382 -1.987 1.00 0.00 C ATOM 1116 O VAL A 70 4.055 3.795 -2.655 1.00 0.00 O ATOM 1117 CB VAL A 70 6.304 3.219 -0.198 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.558 3.827 -0.831 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.487 3.030 1.309 1.00 0.00 C ATOM 0 H VAL A 70 3.709 2.483 -0.408 1.00 0.00 H new ATOM 0 HA VAL A 70 5.215 5.023 0.017 1.00 0.00 H new ATOM 0 HB VAL A 70 6.147 2.236 -0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.421 3.201 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.428 3.886 -1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.719 4.828 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.371 2.420 1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.611 4.003 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.609 2.533 1.723 1.00 0.00 H new