USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=16 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 -124:sc= -0.0204 (180deg=-0.314) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0.113 (180deg=-0.407) USER MOD Single : A 2 GLN : amide:sc= -0.92 K(o=-0.92,f=-1.5) USER MOD Single : A 6 LYS NZ :NH3+ -143:sc= 0.0499 (180deg=-0.105) USER MOD Single : A 7 THR OG1 : rot 156:sc= 0.312 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -109:sc= 0.315 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00529 USER MOD Single : A 25 ASN : amide:sc= -0.221 K(o=-0.22,f=-2.1!) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= -0.449 (180deg=-0.844) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.9) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 0.0649 (180deg=0.0298) USER MOD Single : A 40 GLN : amide:sc= -0.335 K(o=-0.34,f=-1.7) USER MOD Single : A 41 GLN : amide:sc= -3.4! C(o=-3.4!,f=-10!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0037 X(o=-0.0037,f=-0.26) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= -0.233 USER MOD Single : A 60 ASN : amide:sc= 0.00761 X(o=0.0076,f=0) USER MOD Single : A 62 GLN : amide:sc= -2.72! C(o=-2.7!,f=-2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -82:sc= -1.72 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.0049) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.571 -5.618 4.639 1.00 0.00 N ATOM 2 CA MET A 1 -12.560 -4.990 5.948 1.00 0.00 C ATOM 3 C MET A 1 -11.776 -3.677 5.921 1.00 0.00 C ATOM 4 O MET A 1 -11.366 -3.217 4.857 1.00 0.00 O ATOM 5 CB MET A 1 -11.928 -5.941 6.966 1.00 0.00 C ATOM 6 CG MET A 1 -10.476 -6.253 6.597 1.00 0.00 C ATOM 7 SD MET A 1 -9.837 -7.536 7.661 1.00 0.00 S ATOM 8 CE MET A 1 -10.612 -8.964 6.923 1.00 0.00 C ATOM 0 H1 MET A 1 -12.959 -6.580 4.719 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.162 -5.059 3.991 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.600 -5.665 4.269 1.00 0.00 H new ATOM 0 HA MET A 1 -13.589 -4.771 6.232 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.967 -5.494 7.959 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.503 -6.866 7.010 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.417 -6.570 5.556 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.867 -5.354 6.692 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.187 -9.498 7.680 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.277 -8.643 6.121 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.846 -9.624 6.517 1.00 0.00 H new ATOM 18 N GLN A 2 -11.589 -3.111 7.104 1.00 0.00 N ATOM 19 CA GLN A 2 -10.860 -1.860 7.229 1.00 0.00 C ATOM 20 C GLN A 2 -9.370 -2.133 7.440 1.00 0.00 C ATOM 21 O GLN A 2 -8.997 -3.160 8.007 1.00 0.00 O ATOM 22 CB GLN A 2 -11.427 -1.006 8.365 1.00 0.00 C ATOM 23 CG GLN A 2 -10.614 0.278 8.544 1.00 0.00 C ATOM 24 CD GLN A 2 -11.474 1.391 9.148 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.173 2.113 8.457 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.381 1.489 10.470 1.00 0.00 N ATOM 0 H GLN A 2 -11.930 -3.496 7.985 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.979 -1.299 6.302 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.466 -0.756 8.153 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.420 -1.578 9.293 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.758 0.084 9.190 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.220 0.600 7.580 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.776 0.851 10.987 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.915 2.202 10.967 1.00 0.00 H new ATOM 35 N ILE A 3 -8.557 -1.197 6.973 1.00 0.00 N ATOM 36 CA ILE A 3 -7.115 -1.323 7.103 1.00 0.00 C ATOM 37 C ILE A 3 -6.513 0.048 7.417 1.00 0.00 C ATOM 38 O ILE A 3 -7.136 1.077 7.158 1.00 0.00 O ATOM 39 CB ILE A 3 -6.521 -1.985 5.857 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.347 -0.968 4.727 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.360 -3.188 5.423 1.00 0.00 C ATOM 42 CD1 ILE A 3 -7.661 -0.241 4.437 1.00 0.00 C ATOM 0 H ILE A 3 -8.870 -0.347 6.504 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.864 -1.980 7.936 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.529 -2.360 6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.579 -0.244 5.000 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.001 -1.475 3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.916 -3.640 4.536 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.388 -3.922 6.229 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.374 -2.861 5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.510 0.476 3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.420 -0.965 4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.991 0.285 5.333 1.00 0.00 H new ATOM 54 N PHE A 4 -5.311 0.018 7.972 1.00 0.00 N ATOM 55 CA PHE A 4 -4.618 1.245 8.325 1.00 0.00 C ATOM 56 C PHE A 4 -3.298 1.368 7.562 1.00 0.00 C ATOM 57 O PHE A 4 -2.305 0.742 7.927 1.00 0.00 O ATOM 58 CB PHE A 4 -4.323 1.177 9.825 1.00 0.00 C ATOM 59 CG PHE A 4 -5.560 1.336 10.711 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.597 0.465 10.592 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.622 2.348 11.616 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.745 0.612 11.415 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.769 2.496 12.439 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.807 1.624 12.321 1.00 0.00 C ATOM 0 H PHE A 4 -4.799 -0.838 8.186 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.235 2.107 8.071 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.849 0.221 10.049 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.604 1.956 10.079 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.548 -0.338 9.872 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.798 3.040 11.709 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.569 -0.080 11.321 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.818 3.300 13.158 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.680 1.736 12.947 1.00 0.00 H new ATOM 74 N VAL A 5 -3.330 2.182 6.516 1.00 0.00 N ATOM 75 CA VAL A 5 -2.148 2.396 5.698 1.00 0.00 C ATOM 76 C VAL A 5 -1.358 3.584 6.250 1.00 0.00 C ATOM 77 O VAL A 5 -1.944 4.551 6.735 1.00 0.00 O ATOM 78 CB VAL A 5 -2.551 2.575 4.233 1.00 0.00 C ATOM 79 CG1 VAL A 5 -3.185 3.949 4.003 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.353 2.362 3.305 1.00 0.00 C ATOM 0 H VAL A 5 -4.156 2.701 6.217 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.494 1.525 5.738 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.298 1.817 3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.462 4.051 2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.075 4.048 4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.470 4.728 4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.667 2.495 2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.574 3.086 3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.964 1.353 3.439 1.00 0.00 H new ATOM 90 N LYS A 6 -0.041 3.471 6.161 1.00 0.00 N ATOM 91 CA LYS A 6 0.834 4.524 6.647 1.00 0.00 C ATOM 92 C LYS A 6 1.442 5.266 5.455 1.00 0.00 C ATOM 93 O LYS A 6 1.574 4.701 4.370 1.00 0.00 O ATOM 94 CB LYS A 6 1.875 3.953 7.612 1.00 0.00 C ATOM 95 CG LYS A 6 1.758 4.601 8.992 1.00 0.00 C ATOM 96 CD LYS A 6 2.352 3.698 10.075 1.00 0.00 C ATOM 97 CE LYS A 6 2.519 4.457 11.393 1.00 0.00 C ATOM 98 NZ LYS A 6 3.668 5.387 11.314 1.00 0.00 N ATOM 0 H LYS A 6 0.441 2.667 5.760 1.00 0.00 H new ATOM 0 HA LYS A 6 0.267 5.255 7.223 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.741 2.875 7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.876 4.118 7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.274 5.561 8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.710 4.802 9.216 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.705 2.834 10.228 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.319 3.317 9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.609 5.013 11.617 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.671 3.751 12.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.159 5.411 12.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.326 5.064 10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.327 6.341 11.079 1.00 0.00 H new ATOM 112 N THR A 7 1.797 6.519 5.697 1.00 0.00 N ATOM 113 CA THR A 7 2.387 7.344 4.656 1.00 0.00 C ATOM 114 C THR A 7 3.908 7.396 4.816 1.00 0.00 C ATOM 115 O THR A 7 4.438 7.043 5.869 1.00 0.00 O ATOM 116 CB THR A 7 1.723 8.722 4.711 1.00 0.00 C ATOM 117 OG1 THR A 7 2.207 9.291 5.925 1.00 0.00 O ATOM 118 CG2 THR A 7 0.209 8.634 4.918 1.00 0.00 C ATOM 0 H THR A 7 1.688 6.983 6.599 1.00 0.00 H new ATOM 0 HA THR A 7 2.209 6.921 3.667 1.00 0.00 H new ATOM 0 HB THR A 7 1.932 9.264 3.789 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.162 10.268 5.869 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.213 9.639 4.950 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.239 8.078 4.094 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.001 8.123 5.857 1.00 0.00 H new ATOM 126 N LEU A 8 4.568 7.837 3.755 1.00 0.00 N ATOM 127 CA LEU A 8 6.017 7.940 3.764 1.00 0.00 C ATOM 128 C LEU A 8 6.442 9.008 4.774 1.00 0.00 C ATOM 129 O LEU A 8 7.631 9.180 5.037 1.00 0.00 O ATOM 130 CB LEU A 8 6.545 8.187 2.350 1.00 0.00 C ATOM 131 CG LEU A 8 7.945 7.646 2.053 1.00 0.00 C ATOM 132 CD1 LEU A 8 7.874 6.375 1.204 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.821 8.719 1.405 1.00 0.00 C ATOM 0 H LEU A 8 4.125 8.127 2.883 1.00 0.00 H new ATOM 0 HA LEU A 8 6.464 7.000 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.847 7.743 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.546 9.261 2.166 1.00 0.00 H new ATOM 0 HG LEU A 8 8.414 7.375 2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.883 6.012 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.311 5.611 1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.378 6.596 0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.811 8.308 1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.366 9.044 0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.911 9.571 2.079 1.00 0.00 H new ATOM 145 N THR A 9 5.447 9.695 5.314 1.00 0.00 N ATOM 146 CA THR A 9 5.703 10.740 6.291 1.00 0.00 C ATOM 147 C THR A 9 5.493 10.209 7.710 1.00 0.00 C ATOM 148 O THR A 9 6.067 10.732 8.664 1.00 0.00 O ATOM 149 CB THR A 9 4.808 11.934 5.951 1.00 0.00 C ATOM 150 OG1 THR A 9 5.325 12.415 4.713 1.00 0.00 O ATOM 151 CG2 THR A 9 5.002 13.106 6.916 1.00 0.00 C ATOM 0 H THR A 9 4.462 9.549 5.094 1.00 0.00 H new ATOM 0 HA THR A 9 6.741 11.071 6.253 1.00 0.00 H new ATOM 0 HB THR A 9 3.764 11.620 5.967 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.801 13.189 4.418 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.344 13.926 6.629 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.763 12.786 7.930 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.038 13.442 6.877 1.00 0.00 H new ATOM 159 N GLY A 10 4.669 9.176 7.804 1.00 0.00 N ATOM 160 CA GLY A 10 4.376 8.567 9.091 1.00 0.00 C ATOM 161 C GLY A 10 2.917 8.796 9.486 1.00 0.00 C ATOM 162 O GLY A 10 2.493 8.400 10.571 1.00 0.00 O ATOM 0 H GLY A 10 4.195 8.745 7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.581 7.497 9.046 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.033 8.986 9.853 1.00 0.00 H new ATOM 166 N LYS A 11 2.185 9.435 8.584 1.00 0.00 N ATOM 167 CA LYS A 11 0.781 9.720 8.825 1.00 0.00 C ATOM 168 C LYS A 11 -0.027 8.428 8.698 1.00 0.00 C ATOM 169 O LYS A 11 0.316 7.552 7.905 1.00 0.00 O ATOM 170 CB LYS A 11 0.297 10.841 7.903 1.00 0.00 C ATOM 171 CG LYS A 11 -1.126 11.272 8.264 1.00 0.00 C ATOM 172 CD LYS A 11 -1.117 12.564 9.082 1.00 0.00 C ATOM 173 CE LYS A 11 -2.488 12.827 9.707 1.00 0.00 C ATOM 174 NZ LYS A 11 -3.382 13.496 8.735 1.00 0.00 N ATOM 0 H LYS A 11 2.539 9.763 7.685 1.00 0.00 H new ATOM 0 HA LYS A 11 0.636 10.088 9.841 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.970 11.695 7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.327 10.503 6.867 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.707 11.418 7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.616 10.481 8.832 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.363 12.497 9.866 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.838 13.402 8.443 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.933 11.886 10.031 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.376 13.449 10.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.308 13.667 9.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.964 14.403 8.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.503 12.889 7.900 1.00 0.00 H new ATOM 188 N THR A 12 -1.085 8.349 9.492 1.00 0.00 N ATOM 189 CA THR A 12 -1.945 7.178 9.479 1.00 0.00 C ATOM 190 C THR A 12 -3.236 7.473 8.711 1.00 0.00 C ATOM 191 O THR A 12 -3.948 8.423 9.030 1.00 0.00 O ATOM 192 CB THR A 12 -2.185 6.750 10.929 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.899 6.337 11.385 1.00 0.00 O ATOM 194 CG2 THR A 12 -3.042 5.487 11.032 1.00 0.00 C ATOM 0 H THR A 12 -1.366 9.077 10.149 1.00 0.00 H new ATOM 0 HA THR A 12 -1.473 6.347 8.954 1.00 0.00 H new ATOM 0 HB THR A 12 -2.669 7.561 11.473 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.961 6.045 12.318 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.182 5.227 12.081 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.013 5.667 10.570 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.543 4.666 10.518 1.00 0.00 H new ATOM 202 N ILE A 13 -3.497 6.641 7.714 1.00 0.00 N ATOM 203 CA ILE A 13 -4.688 6.799 6.898 1.00 0.00 C ATOM 204 C ILE A 13 -5.483 5.492 6.904 1.00 0.00 C ATOM 205 O ILE A 13 -5.010 4.472 6.403 1.00 0.00 O ATOM 206 CB ILE A 13 -4.317 7.288 5.497 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.842 8.742 5.532 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.478 7.088 4.521 1.00 0.00 C ATOM 209 CD1 ILE A 13 -3.222 9.149 4.193 1.00 0.00 C ATOM 0 H ILE A 13 -2.903 5.854 7.453 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.337 7.568 7.317 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.484 6.686 5.134 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.682 9.397 5.762 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.110 8.870 6.330 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.188 7.444 3.532 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.729 6.029 4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.346 7.649 4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.893 10.187 4.245 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.367 8.508 3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.964 9.043 3.401 1.00 0.00 H new ATOM 221 N THR A 14 -6.676 5.564 7.474 1.00 0.00 N ATOM 222 CA THR A 14 -7.540 4.399 7.550 1.00 0.00 C ATOM 223 C THR A 14 -8.538 4.398 6.390 1.00 0.00 C ATOM 224 O THR A 14 -9.073 5.443 6.025 1.00 0.00 O ATOM 225 CB THR A 14 -8.210 4.396 8.926 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.182 4.828 9.813 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.550 2.984 9.408 1.00 0.00 C ATOM 0 H THR A 14 -7.065 6.411 7.888 1.00 0.00 H new ATOM 0 HA THR A 14 -6.969 3.476 7.448 1.00 0.00 H new ATOM 0 HB THR A 14 -9.120 4.995 8.889 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.892 4.075 10.369 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.023 3.038 10.388 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.233 2.513 8.701 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.636 2.394 9.478 1.00 0.00 H new ATOM 235 N LEU A 15 -8.758 3.210 5.842 1.00 0.00 N ATOM 236 CA LEU A 15 -9.681 3.060 4.730 1.00 0.00 C ATOM 237 C LEU A 15 -10.522 1.799 4.939 1.00 0.00 C ATOM 238 O LEU A 15 -9.990 0.743 5.282 1.00 0.00 O ATOM 239 CB LEU A 15 -8.927 3.082 3.399 1.00 0.00 C ATOM 240 CG LEU A 15 -9.530 3.960 2.301 1.00 0.00 C ATOM 241 CD1 LEU A 15 -11.018 3.655 2.111 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.281 5.442 2.585 1.00 0.00 C ATOM 0 H LEU A 15 -8.313 2.344 6.148 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.371 3.903 4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.908 3.419 3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.861 2.060 3.025 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.030 3.724 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.423 4.293 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.142 2.609 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.550 3.846 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.720 6.044 1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.737 5.712 3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.208 5.628 2.631 1.00 0.00 H new ATOM 254 N GLU A 16 -11.820 1.949 4.724 1.00 0.00 N ATOM 255 CA GLU A 16 -12.740 0.835 4.885 1.00 0.00 C ATOM 256 C GLU A 16 -13.063 0.213 3.524 1.00 0.00 C ATOM 257 O GLU A 16 -13.647 0.868 2.662 1.00 0.00 O ATOM 258 CB GLU A 16 -14.016 1.276 5.603 1.00 0.00 C ATOM 259 CG GLU A 16 -14.494 2.634 5.086 1.00 0.00 C ATOM 260 CD GLU A 16 -15.926 2.922 5.544 1.00 0.00 C ATOM 261 OE1 GLU A 16 -16.717 1.956 5.576 1.00 0.00 O ATOM 262 OE2 GLU A 16 -16.196 4.102 5.853 1.00 0.00 O ATOM 0 H GLU A 16 -12.257 2.825 4.439 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.258 0.078 5.504 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.797 0.531 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.832 1.335 6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.829 3.419 5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.446 2.650 3.997 1.00 0.00 H new ATOM 269 N VAL A 17 -12.669 -1.043 3.374 1.00 0.00 N ATOM 270 CA VAL A 17 -12.910 -1.760 2.133 1.00 0.00 C ATOM 271 C VAL A 17 -13.421 -3.165 2.453 1.00 0.00 C ATOM 272 O VAL A 17 -13.505 -3.550 3.619 1.00 0.00 O ATOM 273 CB VAL A 17 -11.641 -1.765 1.278 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.258 -0.345 0.856 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.486 -2.449 2.013 1.00 0.00 C ATOM 0 H VAL A 17 -12.184 -1.583 4.091 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.680 -1.260 1.545 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.849 -2.338 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.353 -0.377 0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.069 0.093 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.079 0.262 1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.597 -2.439 1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.279 -1.916 2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.758 -3.480 2.239 1.00 0.00 H new ATOM 285 N GLU A 18 -13.750 -3.895 1.397 1.00 0.00 N ATOM 286 CA GLU A 18 -14.252 -5.250 1.550 1.00 0.00 C ATOM 287 C GLU A 18 -13.140 -6.263 1.271 1.00 0.00 C ATOM 288 O GLU A 18 -12.201 -5.970 0.531 1.00 0.00 O ATOM 289 CB GLU A 18 -15.457 -5.495 0.641 1.00 0.00 C ATOM 290 CG GLU A 18 -16.769 -5.247 1.390 1.00 0.00 C ATOM 291 CD GLU A 18 -17.252 -6.522 2.085 1.00 0.00 C ATOM 292 OE1 GLU A 18 -17.561 -7.485 1.351 1.00 0.00 O ATOM 293 OE2 GLU A 18 -17.302 -6.503 3.334 1.00 0.00 O ATOM 0 H GLU A 18 -13.679 -3.573 0.432 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.584 -5.379 2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.401 -4.839 -0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.434 -6.519 0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.627 -4.457 2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.530 -4.898 0.692 1.00 0.00 H new ATOM 300 N PRO A 19 -13.285 -7.463 1.892 1.00 0.00 N ATOM 301 CA PRO A 19 -12.304 -8.521 1.717 1.00 0.00 C ATOM 302 C PRO A 19 -12.444 -9.177 0.343 1.00 0.00 C ATOM 303 O PRO A 19 -11.556 -9.909 -0.094 1.00 0.00 O ATOM 304 CB PRO A 19 -12.557 -9.486 2.864 1.00 0.00 C ATOM 305 CG PRO A 19 -13.958 -9.180 3.365 1.00 0.00 C ATOM 306 CD PRO A 19 -14.384 -7.844 2.774 1.00 0.00 C ATOM 0 HA PRO A 19 -11.279 -8.152 1.743 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.479 -10.520 2.529 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.821 -9.352 3.657 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.650 -9.967 3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.973 -9.138 4.454 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.320 -7.935 2.224 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.543 -7.099 3.553 1.00 0.00 H new ATOM 314 N SER A 20 -13.566 -8.890 -0.303 1.00 0.00 N ATOM 315 CA SER A 20 -13.833 -9.444 -1.620 1.00 0.00 C ATOM 316 C SER A 20 -13.274 -8.516 -2.700 1.00 0.00 C ATOM 317 O SER A 20 -13.013 -8.950 -3.821 1.00 0.00 O ATOM 318 CB SER A 20 -15.333 -9.662 -1.831 1.00 0.00 C ATOM 319 OG SER A 20 -16.047 -8.431 -1.898 1.00 0.00 O ATOM 0 H SER A 20 -14.299 -8.282 0.061 1.00 0.00 H new ATOM 0 HA SER A 20 -13.339 -10.413 -1.691 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.492 -10.224 -2.752 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.730 -10.267 -1.016 1.00 0.00 H new ATOM 0 HG SER A 20 -17.000 -8.613 -2.035 1.00 0.00 H new ATOM 325 N ASP A 21 -13.108 -7.256 -2.326 1.00 0.00 N ATOM 326 CA ASP A 21 -12.585 -6.264 -3.250 1.00 0.00 C ATOM 327 C ASP A 21 -11.108 -6.554 -3.522 1.00 0.00 C ATOM 328 O ASP A 21 -10.403 -7.070 -2.655 1.00 0.00 O ATOM 329 CB ASP A 21 -12.688 -4.855 -2.661 1.00 0.00 C ATOM 330 CG ASP A 21 -14.088 -4.451 -2.192 1.00 0.00 C ATOM 331 OD1 ASP A 21 -15.035 -5.194 -2.527 1.00 0.00 O ATOM 332 OD2 ASP A 21 -14.179 -3.407 -1.512 1.00 0.00 O ATOM 0 H ASP A 21 -13.326 -6.899 -1.396 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.171 -6.317 -4.168 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.002 -4.779 -1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.351 -4.139 -3.410 1.00 0.00 H new ATOM 337 N THR A 22 -10.684 -6.213 -4.729 1.00 0.00 N ATOM 338 CA THR A 22 -9.303 -6.431 -5.127 1.00 0.00 C ATOM 339 C THR A 22 -8.429 -5.256 -4.684 1.00 0.00 C ATOM 340 O THR A 22 -8.941 -4.229 -4.242 1.00 0.00 O ATOM 341 CB THR A 22 -9.279 -6.672 -6.638 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.548 -5.390 -7.198 1.00 0.00 O ATOM 343 CG2 THR A 22 -10.447 -7.539 -7.111 1.00 0.00 C ATOM 0 H THR A 22 -11.272 -5.787 -5.445 1.00 0.00 H new ATOM 0 HA THR A 22 -8.883 -7.310 -4.637 1.00 0.00 H new ATOM 0 HB THR A 22 -8.339 -7.149 -6.915 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.549 -5.454 -8.176 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.382 -7.679 -8.190 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.404 -8.509 -6.616 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.388 -7.047 -6.865 1.00 0.00 H new ATOM 351 N ILE A 23 -7.124 -5.447 -4.821 1.00 0.00 N ATOM 352 CA ILE A 23 -6.174 -4.416 -4.441 1.00 0.00 C ATOM 353 C ILE A 23 -6.370 -3.192 -5.338 1.00 0.00 C ATOM 354 O ILE A 23 -6.084 -2.067 -4.931 1.00 0.00 O ATOM 355 CB ILE A 23 -4.747 -4.969 -4.458 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.472 -5.814 -3.212 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.725 -3.843 -4.625 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.266 -4.927 -1.983 1.00 0.00 C ATOM 0 H ILE A 23 -6.703 -6.300 -5.190 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.353 -4.092 -3.416 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.645 -5.626 -5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.306 -6.494 -3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.587 -6.429 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.719 -4.263 -4.634 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.909 -3.321 -5.564 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.818 -3.141 -3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.072 -5.552 -1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.417 -4.265 -2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.162 -4.331 -1.810 1.00 0.00 H new ATOM 370 N GLU A 24 -6.855 -3.454 -6.544 1.00 0.00 N ATOM 371 CA GLU A 24 -7.093 -2.387 -7.502 1.00 0.00 C ATOM 372 C GLU A 24 -8.229 -1.484 -7.020 1.00 0.00 C ATOM 373 O GLU A 24 -8.120 -0.259 -7.073 1.00 0.00 O ATOM 374 CB GLU A 24 -7.393 -2.955 -8.890 1.00 0.00 C ATOM 375 CG GLU A 24 -6.943 -1.989 -9.988 1.00 0.00 C ATOM 376 CD GLU A 24 -7.531 -2.385 -11.343 1.00 0.00 C ATOM 377 OE1 GLU A 24 -7.629 -3.608 -11.584 1.00 0.00 O ATOM 378 OE2 GLU A 24 -7.871 -1.456 -12.107 1.00 0.00 O ATOM 0 H GLU A 24 -7.089 -4.389 -6.879 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.187 -1.786 -7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.886 -3.912 -9.012 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.462 -3.146 -8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.254 -0.975 -9.735 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.855 -1.983 -10.048 1.00 0.00 H new ATOM 385 N ASN A 25 -9.296 -2.123 -6.562 1.00 0.00 N ATOM 386 CA ASN A 25 -10.453 -1.392 -6.071 1.00 0.00 C ATOM 387 C ASN A 25 -10.062 -0.609 -4.817 1.00 0.00 C ATOM 388 O ASN A 25 -10.463 0.542 -4.648 1.00 0.00 O ATOM 389 CB ASN A 25 -11.590 -2.346 -5.699 1.00 0.00 C ATOM 390 CG ASN A 25 -12.950 -1.659 -5.837 1.00 0.00 C ATOM 391 OD1 ASN A 25 -13.107 -0.672 -6.536 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.920 -2.234 -5.132 1.00 0.00 N ATOM 0 H ASN A 25 -9.384 -3.138 -6.520 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.789 -0.722 -6.862 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.556 -3.226 -6.342 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.457 -2.694 -4.675 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.865 -1.850 -5.156 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.719 -3.059 -4.567 1.00 0.00 H new ATOM 399 N VAL A 26 -9.283 -1.263 -3.968 1.00 0.00 N ATOM 400 CA VAL A 26 -8.832 -0.643 -2.733 1.00 0.00 C ATOM 401 C VAL A 26 -7.949 0.560 -3.066 1.00 0.00 C ATOM 402 O VAL A 26 -8.118 1.637 -2.495 1.00 0.00 O ATOM 403 CB VAL A 26 -8.128 -1.678 -1.854 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.648 -1.049 -0.544 1.00 0.00 C ATOM 405 CG2 VAL A 26 -9.037 -2.878 -1.585 1.00 0.00 C ATOM 0 H VAL A 26 -8.952 -2.217 -4.111 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.681 -0.274 -2.158 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.252 -2.036 -2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.151 -1.806 0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.948 -0.242 -0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.502 -0.650 0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.512 -3.599 -0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.940 -2.543 -1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.307 -3.349 -2.530 1.00 0.00 H new ATOM 415 N LYS A 27 -7.025 0.339 -3.989 1.00 0.00 N ATOM 416 CA LYS A 27 -6.113 1.392 -4.404 1.00 0.00 C ATOM 417 C LYS A 27 -6.913 2.530 -5.041 1.00 0.00 C ATOM 418 O LYS A 27 -6.613 3.703 -4.821 1.00 0.00 O ATOM 419 CB LYS A 27 -5.018 0.827 -5.310 1.00 0.00 C ATOM 420 CG LYS A 27 -3.695 0.694 -4.554 1.00 0.00 C ATOM 421 CD LYS A 27 -2.989 -0.617 -4.910 1.00 0.00 C ATOM 422 CE LYS A 27 -2.126 -0.452 -6.163 1.00 0.00 C ATOM 423 NZ LYS A 27 -1.904 -1.763 -6.815 1.00 0.00 N ATOM 0 H LYS A 27 -6.888 -0.554 -4.462 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.595 1.810 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.323 -0.148 -5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.884 1.478 -6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.048 1.537 -4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.880 0.732 -3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.366 -0.937 -4.075 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.729 -1.400 -5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.613 0.230 -6.860 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.168 -0.005 -5.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.481 -1.617 -7.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.262 -2.337 -6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.813 -2.258 -6.918 1.00 0.00 H new ATOM 437 N ALA A 28 -7.914 2.144 -5.817 1.00 0.00 N ATOM 438 CA ALA A 28 -8.759 3.118 -6.488 1.00 0.00 C ATOM 439 C ALA A 28 -9.433 4.009 -5.443 1.00 0.00 C ATOM 440 O ALA A 28 -9.539 5.220 -5.630 1.00 0.00 O ATOM 441 CB ALA A 28 -9.773 2.390 -7.373 1.00 0.00 C ATOM 0 H ALA A 28 -8.160 1.170 -5.997 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.163 3.762 -7.135 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.407 3.120 -7.876 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.245 1.794 -8.117 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.391 1.737 -6.757 1.00 0.00 H new ATOM 447 N LYS A 29 -9.869 3.374 -4.364 1.00 0.00 N ATOM 448 CA LYS A 29 -10.528 4.096 -3.288 1.00 0.00 C ATOM 449 C LYS A 29 -9.538 5.075 -2.654 1.00 0.00 C ATOM 450 O LYS A 29 -9.881 6.226 -2.390 1.00 0.00 O ATOM 451 CB LYS A 29 -11.149 3.117 -2.290 1.00 0.00 C ATOM 452 CG LYS A 29 -12.621 3.452 -2.038 1.00 0.00 C ATOM 453 CD LYS A 29 -13.404 2.204 -1.622 1.00 0.00 C ATOM 454 CE LYS A 29 -14.235 2.472 -0.365 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.642 2.068 -0.580 1.00 0.00 N ATOM 0 H LYS A 29 -9.779 2.369 -4.212 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.356 4.688 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.064 2.100 -2.672 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.598 3.152 -1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.697 4.210 -1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.060 3.878 -2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.059 1.893 -2.436 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.713 1.382 -1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.817 1.923 0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.189 3.531 -0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.193 2.256 0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.042 2.611 -1.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.682 1.053 -0.801 1.00 0.00 H new ATOM 469 N ILE A 30 -8.330 4.581 -2.428 1.00 0.00 N ATOM 470 CA ILE A 30 -7.287 5.399 -1.831 1.00 0.00 C ATOM 471 C ILE A 30 -6.942 6.551 -2.776 1.00 0.00 C ATOM 472 O ILE A 30 -6.620 7.650 -2.329 1.00 0.00 O ATOM 473 CB ILE A 30 -6.084 4.536 -1.447 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.495 3.411 -0.496 1.00 0.00 C ATOM 475 CG2 ILE A 30 -4.956 5.393 -0.868 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.620 2.173 -0.698 1.00 0.00 C ATOM 0 H ILE A 30 -8.050 3.625 -2.647 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.639 5.846 -0.901 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.699 4.066 -2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.413 3.754 0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.541 3.153 -0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.113 4.755 -0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.638 6.125 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.313 5.911 0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.934 1.389 -0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.723 1.818 -1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.578 2.429 -0.506 1.00 0.00 H new ATOM 488 N GLN A 31 -7.023 6.259 -4.066 1.00 0.00 N ATOM 489 CA GLN A 31 -6.723 7.256 -5.079 1.00 0.00 C ATOM 490 C GLN A 31 -7.745 8.394 -5.023 1.00 0.00 C ATOM 491 O GLN A 31 -7.376 9.558 -4.876 1.00 0.00 O ATOM 492 CB GLN A 31 -6.681 6.627 -6.473 1.00 0.00 C ATOM 493 CG GLN A 31 -6.638 7.703 -7.560 1.00 0.00 C ATOM 494 CD GLN A 31 -6.618 7.074 -8.955 1.00 0.00 C ATOM 495 OE1 GLN A 31 -7.163 6.009 -9.191 1.00 0.00 O ATOM 496 NE2 GLN A 31 -5.961 7.791 -9.862 1.00 0.00 N ATOM 0 H GLN A 31 -7.292 5.346 -4.433 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.736 7.669 -4.872 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.806 5.983 -6.559 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.557 5.995 -6.617 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.505 8.356 -7.464 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.754 8.326 -7.425 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.527 8.675 -9.597 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.891 7.457 -10.823 1.00 0.00 H new ATOM 505 N ASP A 32 -9.010 8.017 -5.143 1.00 0.00 N ATOM 506 CA ASP A 32 -10.088 8.991 -5.107 1.00 0.00 C ATOM 507 C ASP A 32 -10.078 9.706 -3.754 1.00 0.00 C ATOM 508 O ASP A 32 -10.528 10.846 -3.648 1.00 0.00 O ATOM 509 CB ASP A 32 -11.449 8.312 -5.272 1.00 0.00 C ATOM 510 CG ASP A 32 -12.389 8.984 -6.275 1.00 0.00 C ATOM 511 OD1 ASP A 32 -11.859 9.621 -7.211 1.00 0.00 O ATOM 512 OD2 ASP A 32 -13.617 8.847 -6.083 1.00 0.00 O ATOM 0 H ASP A 32 -9.312 7.051 -5.265 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.934 9.695 -5.925 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.288 7.280 -5.583 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.942 8.279 -4.300 1.00 0.00 H new ATOM 517 N LYS A 33 -9.560 9.008 -2.755 1.00 0.00 N ATOM 518 CA LYS A 33 -9.486 9.562 -1.414 1.00 0.00 C ATOM 519 C LYS A 33 -8.364 10.600 -1.358 1.00 0.00 C ATOM 520 O LYS A 33 -8.626 11.801 -1.300 1.00 0.00 O ATOM 521 CB LYS A 33 -9.342 8.445 -0.380 1.00 0.00 C ATOM 522 CG LYS A 33 -9.613 8.967 1.033 1.00 0.00 C ATOM 523 CD LYS A 33 -8.307 9.311 1.751 1.00 0.00 C ATOM 524 CE LYS A 33 -8.548 10.313 2.881 1.00 0.00 C ATOM 525 NZ LYS A 33 -7.627 11.465 2.758 1.00 0.00 N ATOM 0 H LYS A 33 -9.187 8.063 -2.847 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.412 10.079 -1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.036 7.638 -0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.337 8.026 -0.430 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.248 9.852 0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.159 8.215 1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.860 8.403 2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.595 9.726 1.038 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.581 10.661 2.852 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.403 9.825 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.849 12.167 3.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.646 11.139 2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.737 11.899 1.819 1.00 0.00 H new ATOM 539 N GLU A 34 -7.137 10.101 -1.377 1.00 0.00 N ATOM 540 CA GLU A 34 -5.973 10.970 -1.329 1.00 0.00 C ATOM 541 C GLU A 34 -5.845 11.757 -2.635 1.00 0.00 C ATOM 542 O GLU A 34 -5.865 12.987 -2.628 1.00 0.00 O ATOM 543 CB GLU A 34 -4.702 10.169 -1.044 1.00 0.00 C ATOM 544 CG GLU A 34 -3.841 10.866 0.013 1.00 0.00 C ATOM 545 CD GLU A 34 -4.566 10.925 1.358 1.00 0.00 C ATOM 546 OE1 GLU A 34 -5.289 9.950 1.657 1.00 0.00 O ATOM 547 OE2 GLU A 34 -4.380 11.944 2.059 1.00 0.00 O ATOM 0 H GLU A 34 -6.923 9.105 -1.425 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.106 11.679 -0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.967 9.169 -0.701 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.129 10.049 -1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.897 10.333 0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.599 11.876 -0.318 1.00 0.00 H new ATOM 554 N GLY A 35 -5.713 11.015 -3.725 1.00 0.00 N ATOM 555 CA GLY A 35 -5.581 11.628 -5.036 1.00 0.00 C ATOM 556 C GLY A 35 -4.418 11.010 -5.815 1.00 0.00 C ATOM 557 O GLY A 35 -4.215 11.325 -6.987 1.00 0.00 O ATOM 0 H GLY A 35 -5.695 9.995 -3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.507 11.500 -5.596 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.420 12.700 -4.926 1.00 0.00 H new ATOM 561 N ILE A 36 -3.686 10.141 -5.133 1.00 0.00 N ATOM 562 CA ILE A 36 -2.550 9.476 -5.747 1.00 0.00 C ATOM 563 C ILE A 36 -3.050 8.328 -6.626 1.00 0.00 C ATOM 564 O ILE A 36 -4.011 7.645 -6.275 1.00 0.00 O ATOM 565 CB ILE A 36 -1.544 9.040 -4.680 1.00 0.00 C ATOM 566 CG1 ILE A 36 -0.978 10.250 -3.933 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.439 8.175 -5.289 1.00 0.00 C ATOM 568 CD1 ILE A 36 -0.958 10.003 -2.423 1.00 0.00 C ATOM 0 H ILE A 36 -3.858 9.882 -4.161 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.012 10.165 -6.398 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.068 8.425 -3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.033 10.458 -4.284 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.580 11.132 -4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.263 7.879 -4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.880 7.285 -5.738 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.088 8.744 -6.054 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.551 10.878 -1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.973 9.819 -2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.335 9.135 -2.204 1.00 0.00 H new ATOM 580 N PRO A 37 -2.357 8.145 -7.782 1.00 0.00 N ATOM 581 CA PRO A 37 -2.720 7.091 -8.714 1.00 0.00 C ATOM 582 C PRO A 37 -2.279 5.723 -8.192 1.00 0.00 C ATOM 583 O PRO A 37 -1.397 5.633 -7.341 1.00 0.00 O ATOM 584 CB PRO A 37 -2.048 7.474 -10.022 1.00 0.00 C ATOM 585 CG PRO A 37 -0.959 8.470 -9.655 1.00 0.00 C ATOM 586 CD PRO A 37 -1.213 8.934 -8.230 1.00 0.00 C ATOM 0 HA PRO A 37 -3.798 7.000 -8.848 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.626 6.598 -10.516 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.764 7.916 -10.714 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.025 8.007 -9.736 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.970 9.318 -10.340 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.342 8.764 -7.597 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.430 10.002 -8.194 1.00 0.00 H new ATOM 594 N PRO A 38 -2.931 4.662 -8.741 1.00 0.00 N ATOM 595 CA PRO A 38 -2.615 3.301 -8.341 1.00 0.00 C ATOM 596 C PRO A 38 -1.287 2.845 -8.949 1.00 0.00 C ATOM 597 O PRO A 38 -0.582 2.023 -8.365 1.00 0.00 O ATOM 598 CB PRO A 38 -3.799 2.469 -8.806 1.00 0.00 C ATOM 599 CG PRO A 38 -4.511 3.309 -9.853 1.00 0.00 C ATOM 600 CD PRO A 38 -3.980 4.729 -9.753 1.00 0.00 C ATOM 0 HA PRO A 38 -2.474 3.201 -7.265 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.468 1.519 -9.226 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.464 2.236 -7.974 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.335 2.905 -10.850 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.588 3.292 -9.688 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.586 5.073 -10.709 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.766 5.426 -9.463 1.00 0.00 H new ATOM 608 N ASP A 39 -0.987 3.397 -10.115 1.00 0.00 N ATOM 609 CA ASP A 39 0.244 3.057 -10.809 1.00 0.00 C ATOM 610 C ASP A 39 1.436 3.607 -10.024 1.00 0.00 C ATOM 611 O ASP A 39 2.488 2.972 -9.960 1.00 0.00 O ATOM 612 CB ASP A 39 0.275 3.674 -12.209 1.00 0.00 C ATOM 613 CG ASP A 39 0.154 2.673 -13.359 1.00 0.00 C ATOM 614 OD1 ASP A 39 0.746 1.581 -13.227 1.00 0.00 O ATOM 615 OD2 ASP A 39 -0.529 3.023 -14.346 1.00 0.00 O ATOM 0 H ASP A 39 -1.575 4.077 -10.597 1.00 0.00 H new ATOM 0 HA ASP A 39 0.296 1.971 -10.892 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.537 4.397 -12.289 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.207 4.227 -12.325 1.00 0.00 H new ATOM 620 N GLN A 40 1.232 4.780 -9.444 1.00 0.00 N ATOM 621 CA GLN A 40 2.276 5.422 -8.665 1.00 0.00 C ATOM 622 C GLN A 40 2.175 5.008 -7.195 1.00 0.00 C ATOM 623 O GLN A 40 2.946 5.475 -6.359 1.00 0.00 O ATOM 624 CB GLN A 40 2.214 6.944 -8.811 1.00 0.00 C ATOM 625 CG GLN A 40 2.260 7.355 -10.284 1.00 0.00 C ATOM 626 CD GLN A 40 3.553 6.874 -10.947 1.00 0.00 C ATOM 627 OE1 GLN A 40 4.553 6.613 -10.299 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.478 6.774 -12.271 1.00 0.00 N ATOM 0 H GLN A 40 0.358 5.303 -9.498 1.00 0.00 H new ATOM 0 HA GLN A 40 3.241 5.092 -9.049 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.299 7.320 -8.353 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.048 7.399 -8.277 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.401 6.937 -10.809 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.187 8.440 -10.365 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.609 7.008 -12.752 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.289 6.463 -12.806 1.00 0.00 H new ATOM 637 N GLN A 41 1.214 4.136 -6.925 1.00 0.00 N ATOM 638 CA GLN A 41 1.000 3.653 -5.571 1.00 0.00 C ATOM 639 C GLN A 41 1.769 2.350 -5.345 1.00 0.00 C ATOM 640 O GLN A 41 1.752 1.459 -6.193 1.00 0.00 O ATOM 641 CB GLN A 41 -0.491 3.467 -5.285 1.00 0.00 C ATOM 642 CG GLN A 41 -0.896 4.187 -3.997 1.00 0.00 C ATOM 643 CD GLN A 41 -2.267 3.712 -3.511 1.00 0.00 C ATOM 644 OE1 GLN A 41 -2.391 2.786 -2.727 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.287 4.397 -4.021 1.00 0.00 N ATOM 0 H GLN A 41 0.575 3.752 -7.621 1.00 0.00 H new ATOM 0 HA GLN A 41 1.379 4.401 -4.875 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.076 3.852 -6.120 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.719 2.405 -5.199 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.149 4.005 -3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.920 5.263 -4.170 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.113 5.162 -4.673 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.244 4.157 -3.760 1.00 0.00 H new ATOM 654 N ARG A 42 2.426 2.280 -4.197 1.00 0.00 N ATOM 655 CA ARG A 42 3.199 1.101 -3.847 1.00 0.00 C ATOM 656 C ARG A 42 2.901 0.677 -2.408 1.00 0.00 C ATOM 657 O ARG A 42 3.505 1.192 -1.468 1.00 0.00 O ATOM 658 CB ARG A 42 4.700 1.362 -3.996 1.00 0.00 C ATOM 659 CG ARG A 42 5.211 0.868 -5.351 1.00 0.00 C ATOM 660 CD ARG A 42 6.527 1.555 -5.723 1.00 0.00 C ATOM 661 NE ARG A 42 6.345 2.364 -6.949 1.00 0.00 N ATOM 662 CZ ARG A 42 6.311 1.853 -8.187 1.00 0.00 C ATOM 663 NH1 ARG A 42 6.445 0.532 -8.372 1.00 0.00 N ATOM 664 NH2 ARG A 42 6.142 2.663 -9.241 1.00 0.00 N ATOM 0 H ARG A 42 2.439 3.021 -3.497 1.00 0.00 H new ATOM 0 HA ARG A 42 2.912 0.302 -4.530 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.899 2.429 -3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.241 0.860 -3.194 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.357 -0.212 -5.317 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.464 1.065 -6.120 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.859 2.192 -4.903 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.305 0.808 -5.882 1.00 0.00 H new ATOM 0 HE ARG A 42 6.239 3.373 -6.845 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.573 -0.085 -7.570 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.419 0.144 -9.315 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.039 3.668 -9.101 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.116 2.275 -10.184 1.00 0.00 H new ATOM 678 N LEU A 43 1.972 -0.257 -2.279 1.00 0.00 N ATOM 679 CA LEU A 43 1.587 -0.756 -0.970 1.00 0.00 C ATOM 680 C LEU A 43 2.326 -2.065 -0.690 1.00 0.00 C ATOM 681 O LEU A 43 2.263 -3.001 -1.486 1.00 0.00 O ATOM 682 CB LEU A 43 0.065 -0.876 -0.868 1.00 0.00 C ATOM 683 CG LEU A 43 -0.739 0.299 -1.430 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.200 0.228 -0.981 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.091 1.634 -1.060 1.00 0.00 C ATOM 0 H LEU A 43 1.473 -0.682 -3.061 1.00 0.00 H new ATOM 0 HA LEU A 43 1.881 -0.051 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.244 -1.783 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.200 -1.003 0.182 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.732 0.228 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.749 1.074 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.645 -0.701 -1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.248 0.261 0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.682 2.452 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.047 1.729 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.918 1.674 -1.469 1.00 0.00 H new ATOM 697 N ILE A 44 3.012 -2.090 0.444 1.00 0.00 N ATOM 698 CA ILE A 44 3.763 -3.270 0.839 1.00 0.00 C ATOM 699 C ILE A 44 3.055 -3.951 2.012 1.00 0.00 C ATOM 700 O ILE A 44 2.461 -3.282 2.855 1.00 0.00 O ATOM 701 CB ILE A 44 5.221 -2.904 1.128 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.928 -2.426 -0.141 1.00 0.00 C ATOM 703 CG2 ILE A 44 5.957 -4.071 1.790 1.00 0.00 C ATOM 704 CD1 ILE A 44 7.229 -1.695 0.199 1.00 0.00 C ATOM 0 H ILE A 44 3.063 -1.312 1.102 1.00 0.00 H new ATOM 0 HA ILE A 44 3.795 -3.993 0.024 1.00 0.00 H new ATOM 0 HB ILE A 44 5.232 -2.074 1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.143 -3.279 -0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.269 -1.762 -0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.991 -3.786 1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.467 -4.324 2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.938 -4.936 1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.712 -1.365 -0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.007 -0.829 0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.895 -2.369 0.737 1.00 0.00 H new ATOM 716 N PHE A 45 3.142 -5.273 2.027 1.00 0.00 N ATOM 717 CA PHE A 45 2.517 -6.052 3.082 1.00 0.00 C ATOM 718 C PHE A 45 3.271 -7.363 3.315 1.00 0.00 C ATOM 719 O PHE A 45 3.443 -8.156 2.392 1.00 0.00 O ATOM 720 CB PHE A 45 1.094 -6.371 2.620 1.00 0.00 C ATOM 721 CG PHE A 45 0.107 -6.609 3.764 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.242 -7.702 4.563 1.00 0.00 C ATOM 723 CD2 PHE A 45 -0.906 -5.728 3.983 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.674 -7.923 5.625 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.822 -5.950 5.046 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.687 -7.043 5.845 1.00 0.00 C ATOM 0 H PHE A 45 3.636 -5.824 1.325 1.00 0.00 H new ATOM 0 HA PHE A 45 2.525 -5.488 4.015 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.730 -5.548 2.005 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.119 -7.257 1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.046 -8.402 4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.014 -4.860 3.349 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.566 -8.791 6.259 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.626 -5.251 5.220 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.384 -7.211 6.653 1.00 0.00 H new ATOM 736 N ALA A 46 3.699 -7.550 4.556 1.00 0.00 N ATOM 737 CA ALA A 46 4.430 -8.750 4.922 1.00 0.00 C ATOM 738 C ALA A 46 5.703 -8.844 4.078 1.00 0.00 C ATOM 739 O ALA A 46 6.281 -9.921 3.937 1.00 0.00 O ATOM 740 CB ALA A 46 3.525 -9.972 4.748 1.00 0.00 C ATOM 0 H ALA A 46 3.553 -6.890 5.320 1.00 0.00 H new ATOM 0 HA ALA A 46 4.730 -8.712 5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.073 -10.873 5.023 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.649 -9.871 5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.207 -10.044 3.708 1.00 0.00 H new ATOM 746 N GLY A 47 6.104 -7.701 3.540 1.00 0.00 N ATOM 747 CA GLY A 47 7.299 -7.642 2.715 1.00 0.00 C ATOM 748 C GLY A 47 6.954 -7.836 1.237 1.00 0.00 C ATOM 749 O GLY A 47 7.784 -7.584 0.365 1.00 0.00 O ATOM 0 H GLY A 47 5.623 -6.809 3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.794 -6.681 2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.003 -8.412 3.032 1.00 0.00 H new ATOM 753 N LYS A 48 5.730 -8.285 1.002 1.00 0.00 N ATOM 754 CA LYS A 48 5.266 -8.517 -0.354 1.00 0.00 C ATOM 755 C LYS A 48 4.347 -7.370 -0.778 1.00 0.00 C ATOM 756 O LYS A 48 3.449 -6.981 -0.031 1.00 0.00 O ATOM 757 CB LYS A 48 4.619 -9.899 -0.471 1.00 0.00 C ATOM 758 CG LYS A 48 4.124 -10.155 -1.896 1.00 0.00 C ATOM 759 CD LYS A 48 4.587 -11.524 -2.399 1.00 0.00 C ATOM 760 CE LYS A 48 3.495 -12.577 -2.205 1.00 0.00 C ATOM 761 NZ LYS A 48 4.034 -13.756 -1.492 1.00 0.00 N ATOM 0 H LYS A 48 5.045 -8.494 1.729 1.00 0.00 H new ATOM 0 HA LYS A 48 6.107 -8.525 -1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.340 -10.667 -0.189 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.785 -9.974 0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.036 -10.103 -1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.496 -9.375 -2.560 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.850 -11.458 -3.455 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.488 -11.826 -1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.666 -12.150 -1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.098 -12.880 -3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.280 -14.462 -1.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.810 -14.172 -2.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.392 -13.464 -0.560 1.00 0.00 H new ATOM 775 N GLN A 49 4.601 -6.861 -1.974 1.00 0.00 N ATOM 776 CA GLN A 49 3.807 -5.766 -2.506 1.00 0.00 C ATOM 777 C GLN A 49 2.478 -6.290 -3.053 1.00 0.00 C ATOM 778 O GLN A 49 2.433 -7.352 -3.671 1.00 0.00 O ATOM 779 CB GLN A 49 4.579 -5.001 -3.583 1.00 0.00 C ATOM 780 CG GLN A 49 4.815 -5.877 -4.815 1.00 0.00 C ATOM 781 CD GLN A 49 5.247 -5.032 -6.015 1.00 0.00 C ATOM 782 OE1 GLN A 49 4.648 -4.020 -6.342 1.00 0.00 O ATOM 783 NE2 GLN A 49 6.317 -5.501 -6.649 1.00 0.00 N ATOM 0 H GLN A 49 5.346 -7.186 -2.590 1.00 0.00 H new ATOM 0 HA GLN A 49 3.594 -5.070 -1.694 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.023 -4.108 -3.869 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.536 -4.667 -3.181 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.581 -6.621 -4.595 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.903 -6.421 -5.059 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.770 -6.354 -6.322 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.685 -5.008 -7.462 1.00 0.00 H new ATOM 792 N LEU A 50 1.428 -5.522 -2.804 1.00 0.00 N ATOM 793 CA LEU A 50 0.100 -5.896 -3.263 1.00 0.00 C ATOM 794 C LEU A 50 -0.023 -5.589 -4.757 1.00 0.00 C ATOM 795 O LEU A 50 0.064 -4.432 -5.166 1.00 0.00 O ATOM 796 CB LEU A 50 -0.972 -5.221 -2.406 1.00 0.00 C ATOM 797 CG LEU A 50 -0.657 -5.091 -0.916 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.794 -4.385 -0.174 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.333 -6.455 -0.302 1.00 0.00 C ATOM 0 H LEU A 50 1.469 -4.642 -2.290 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.057 -6.968 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.154 -4.224 -2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.900 -5.782 -2.513 1.00 0.00 H new ATOM 0 HG LEU A 50 0.232 -4.470 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.544 -4.306 0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.935 -3.387 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.714 -4.959 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.113 -6.334 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.188 -7.120 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.533 -6.884 -0.806 1.00 0.00 H new ATOM 811 N GLU A 51 -0.221 -6.647 -5.530 1.00 0.00 N ATOM 812 CA GLU A 51 -0.357 -6.505 -6.970 1.00 0.00 C ATOM 813 C GLU A 51 -1.821 -6.271 -7.345 1.00 0.00 C ATOM 814 O GLU A 51 -2.675 -7.119 -7.086 1.00 0.00 O ATOM 815 CB GLU A 51 0.207 -7.727 -7.697 1.00 0.00 C ATOM 816 CG GLU A 51 1.652 -8.000 -7.273 1.00 0.00 C ATOM 817 CD GLU A 51 1.889 -9.496 -7.061 1.00 0.00 C ATOM 818 OE1 GLU A 51 1.415 -10.273 -7.919 1.00 0.00 O ATOM 819 OE2 GLU A 51 2.538 -9.830 -6.046 1.00 0.00 O ATOM 0 H GLU A 51 -0.290 -7.605 -5.187 1.00 0.00 H new ATOM 0 HA GLU A 51 0.221 -5.637 -7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.410 -8.599 -7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.165 -7.565 -8.774 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.335 -7.625 -8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.873 -7.459 -6.353 1.00 0.00 H new ATOM 826 N ASP A 52 -2.069 -5.118 -7.949 1.00 0.00 N ATOM 827 CA ASP A 52 -3.416 -4.763 -8.362 1.00 0.00 C ATOM 828 C ASP A 52 -4.051 -5.949 -9.088 1.00 0.00 C ATOM 829 O ASP A 52 -3.730 -6.216 -10.245 1.00 0.00 O ATOM 830 CB ASP A 52 -3.400 -3.572 -9.322 1.00 0.00 C ATOM 831 CG ASP A 52 -2.174 -3.491 -10.233 1.00 0.00 C ATOM 832 OD1 ASP A 52 -2.212 -4.145 -11.297 1.00 0.00 O ATOM 833 OD2 ASP A 52 -1.225 -2.776 -9.844 1.00 0.00 O ATOM 0 H ASP A 52 -1.359 -4.417 -8.162 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.985 -4.500 -7.470 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.294 -3.614 -9.944 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.461 -2.654 -8.738 1.00 0.00 H new ATOM 838 N GLY A 53 -4.942 -6.627 -8.380 1.00 0.00 N ATOM 839 CA GLY A 53 -5.625 -7.779 -8.944 1.00 0.00 C ATOM 840 C GLY A 53 -5.875 -8.845 -7.876 1.00 0.00 C ATOM 841 O GLY A 53 -6.681 -9.753 -8.076 1.00 0.00 O ATOM 0 H GLY A 53 -5.207 -6.401 -7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.574 -7.466 -9.380 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.027 -8.201 -9.752 1.00 0.00 H new ATOM 845 N ARG A 54 -5.169 -8.701 -6.765 1.00 0.00 N ATOM 846 CA ARG A 54 -5.304 -9.640 -5.664 1.00 0.00 C ATOM 847 C ARG A 54 -6.282 -9.098 -4.620 1.00 0.00 C ATOM 848 O ARG A 54 -6.342 -7.891 -4.388 1.00 0.00 O ATOM 849 CB ARG A 54 -3.952 -9.905 -4.998 1.00 0.00 C ATOM 850 CG ARG A 54 -3.118 -10.886 -5.823 1.00 0.00 C ATOM 851 CD ARG A 54 -2.974 -12.227 -5.099 1.00 0.00 C ATOM 852 NE ARG A 54 -2.101 -13.133 -5.880 1.00 0.00 N ATOM 853 CZ ARG A 54 -1.823 -14.395 -5.529 1.00 0.00 C ATOM 854 NH1 ARG A 54 -2.347 -14.911 -4.409 1.00 0.00 N ATOM 855 NH2 ARG A 54 -1.021 -15.143 -6.299 1.00 0.00 N ATOM 0 H ARG A 54 -4.501 -7.948 -6.603 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.685 -10.576 -6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.409 -8.967 -4.884 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.108 -10.307 -3.997 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.588 -11.042 -6.794 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.131 -10.462 -6.011 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.553 -12.070 -4.106 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.955 -12.683 -4.962 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.685 -12.773 -6.739 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.958 -14.342 -3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.135 -15.872 -4.142 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.622 -14.751 -7.152 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.809 -16.104 -6.032 1.00 0.00 H new ATOM 869 N THR A 55 -7.025 -10.016 -4.018 1.00 0.00 N ATOM 870 CA THR A 55 -7.996 -9.645 -3.005 1.00 0.00 C ATOM 871 C THR A 55 -7.345 -9.627 -1.621 1.00 0.00 C ATOM 872 O THR A 55 -6.476 -10.448 -1.330 1.00 0.00 O ATOM 873 CB THR A 55 -9.179 -10.611 -3.107 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.574 -11.872 -3.379 1.00 0.00 O ATOM 875 CG2 THR A 55 -10.050 -10.343 -4.335 1.00 0.00 C ATOM 0 H THR A 55 -6.973 -11.016 -4.213 1.00 0.00 H new ATOM 0 HA THR A 55 -8.368 -8.633 -3.167 1.00 0.00 H new ATOM 0 HB THR A 55 -9.789 -10.535 -2.207 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.269 -12.558 -3.459 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.874 -11.056 -4.359 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.448 -9.330 -4.285 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.449 -10.452 -5.238 1.00 0.00 H new ATOM 883 N LEU A 56 -7.788 -8.683 -0.805 1.00 0.00 N ATOM 884 CA LEU A 56 -7.258 -8.547 0.542 1.00 0.00 C ATOM 885 C LEU A 56 -7.362 -9.892 1.264 1.00 0.00 C ATOM 886 O LEU A 56 -6.445 -10.289 1.981 1.00 0.00 O ATOM 887 CB LEU A 56 -7.951 -7.398 1.277 1.00 0.00 C ATOM 888 CG LEU A 56 -7.929 -6.041 0.572 1.00 0.00 C ATOM 889 CD1 LEU A 56 -9.124 -5.184 0.996 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.599 -5.323 0.805 1.00 0.00 C ATOM 0 H LEU A 56 -8.509 -8.004 -1.050 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.201 -8.283 0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.990 -7.678 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.484 -7.285 2.255 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.019 -6.212 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.085 -4.224 0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.050 -5.697 0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.090 -5.019 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.610 -4.361 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.454 -5.164 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.784 -5.932 0.415 1.00 0.00 H new ATOM 902 N SER A 57 -8.488 -10.556 1.049 1.00 0.00 N ATOM 903 CA SER A 57 -8.724 -11.849 1.671 1.00 0.00 C ATOM 904 C SER A 57 -7.680 -12.859 1.192 1.00 0.00 C ATOM 905 O SER A 57 -7.273 -13.742 1.945 1.00 0.00 O ATOM 906 CB SER A 57 -10.135 -12.357 1.365 1.00 0.00 C ATOM 907 OG SER A 57 -10.422 -13.575 2.047 1.00 0.00 O ATOM 0 H SER A 57 -9.247 -10.224 0.454 1.00 0.00 H new ATOM 0 HA SER A 57 -8.636 -11.731 2.751 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.864 -11.599 1.653 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.241 -12.509 0.291 1.00 0.00 H new ATOM 0 HG SER A 57 -11.332 -13.866 1.828 1.00 0.00 H new ATOM 913 N ASP A 58 -7.276 -12.695 -0.059 1.00 0.00 N ATOM 914 CA ASP A 58 -6.286 -13.582 -0.648 1.00 0.00 C ATOM 915 C ASP A 58 -4.959 -13.427 0.099 1.00 0.00 C ATOM 916 O ASP A 58 -4.109 -14.314 0.050 1.00 0.00 O ATOM 917 CB ASP A 58 -6.043 -13.237 -2.119 1.00 0.00 C ATOM 918 CG ASP A 58 -6.304 -14.379 -3.102 1.00 0.00 C ATOM 919 OD1 ASP A 58 -5.874 -15.509 -2.787 1.00 0.00 O ATOM 920 OD2 ASP A 58 -6.929 -14.096 -4.148 1.00 0.00 O ATOM 0 H ASP A 58 -7.616 -11.962 -0.681 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.662 -14.603 -0.574 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.678 -12.393 -2.389 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.010 -12.908 -2.234 1.00 0.00 H new ATOM 925 N TYR A 59 -4.826 -12.294 0.773 1.00 0.00 N ATOM 926 CA TYR A 59 -3.618 -12.012 1.530 1.00 0.00 C ATOM 927 C TYR A 59 -3.809 -12.342 3.011 1.00 0.00 C ATOM 928 O TYR A 59 -2.864 -12.270 3.794 1.00 0.00 O ATOM 929 CB TYR A 59 -3.370 -10.509 1.382 1.00 0.00 C ATOM 930 CG TYR A 59 -2.801 -10.103 0.021 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.495 -10.413 -0.301 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.594 -9.428 -0.884 1.00 0.00 C ATOM 933 CE1 TYR A 59 -0.961 -10.031 -1.583 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.060 -9.046 -2.166 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.769 -9.366 -2.451 1.00 0.00 C ATOM 936 OH TYR A 59 -1.264 -9.005 -3.661 1.00 0.00 O ATOM 0 H TYR A 59 -5.534 -11.561 0.811 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.786 -12.612 1.162 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.308 -9.979 1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.682 -10.186 2.163 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.874 -10.941 0.408 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.616 -9.186 -0.631 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.059 -10.268 -1.849 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.670 -8.518 -2.884 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.127 -9.805 -4.210 1.00 0.00 H new ATOM 946 N ASN A 60 -5.040 -12.696 3.352 1.00 0.00 N ATOM 947 CA ASN A 60 -5.367 -13.038 4.726 1.00 0.00 C ATOM 948 C ASN A 60 -5.046 -11.847 5.633 1.00 0.00 C ATOM 949 O ASN A 60 -4.300 -11.984 6.601 1.00 0.00 O ATOM 950 CB ASN A 60 -4.544 -14.235 5.208 1.00 0.00 C ATOM 951 CG ASN A 60 -5.285 -15.004 6.303 1.00 0.00 C ATOM 952 OD1 ASN A 60 -6.183 -15.789 6.047 1.00 0.00 O ATOM 953 ND2 ASN A 60 -4.860 -14.737 7.534 1.00 0.00 N ATOM 0 H ASN A 60 -5.823 -12.753 2.700 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.427 -13.290 4.768 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.336 -14.899 4.369 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.582 -13.890 5.588 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.291 -15.200 8.334 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.103 -14.069 7.678 1.00 0.00 H new ATOM 960 N ILE A 61 -5.627 -10.708 5.287 1.00 0.00 N ATOM 961 CA ILE A 61 -5.411 -9.495 6.058 1.00 0.00 C ATOM 962 C ILE A 61 -6.286 -9.532 7.313 1.00 0.00 C ATOM 963 O ILE A 61 -7.382 -10.088 7.293 1.00 0.00 O ATOM 964 CB ILE A 61 -5.638 -8.258 5.185 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.408 -7.959 4.328 1.00 0.00 C ATOM 966 CG2 ILE A 61 -6.051 -7.056 6.036 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.814 -7.466 2.938 1.00 0.00 C ATOM 0 H ILE A 61 -6.247 -10.599 4.484 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.375 -9.434 6.393 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.462 -8.467 4.502 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.793 -7.205 4.819 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.798 -8.858 4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.206 -6.190 5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.976 -7.285 6.565 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.265 -6.835 6.758 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.920 -7.261 2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.409 -8.232 2.440 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.403 -6.554 3.033 1.00 0.00 H new ATOM 979 N GLN A 62 -5.768 -8.931 8.374 1.00 0.00 N ATOM 980 CA GLN A 62 -6.488 -8.889 9.635 1.00 0.00 C ATOM 981 C GLN A 62 -7.058 -7.489 9.873 1.00 0.00 C ATOM 982 O GLN A 62 -6.536 -6.505 9.352 1.00 0.00 O ATOM 983 CB GLN A 62 -5.588 -9.318 10.796 1.00 0.00 C ATOM 984 CG GLN A 62 -4.125 -8.966 10.515 1.00 0.00 C ATOM 985 CD GLN A 62 -3.489 -9.982 9.565 1.00 0.00 C ATOM 986 OE1 GLN A 62 -3.536 -11.182 9.776 1.00 0.00 O ATOM 987 NE2 GLN A 62 -2.893 -9.435 8.509 1.00 0.00 N ATOM 0 H GLN A 62 -4.859 -8.469 8.386 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.317 -9.595 9.581 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.914 -8.828 11.714 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.683 -10.392 10.957 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.064 -7.969 10.080 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.567 -8.940 11.451 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.890 -8.422 8.393 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.439 -10.029 7.815 1.00 0.00 H new ATOM 996 N LYS A 63 -8.123 -7.445 10.661 1.00 0.00 N ATOM 997 CA LYS A 63 -8.770 -6.181 10.974 1.00 0.00 C ATOM 998 C LYS A 63 -7.717 -5.177 11.448 1.00 0.00 C ATOM 999 O LYS A 63 -6.827 -5.525 12.223 1.00 0.00 O ATOM 1000 CB LYS A 63 -9.908 -6.397 11.973 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.398 -7.068 13.250 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.495 -7.910 13.903 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.950 -8.682 15.106 1.00 0.00 C ATOM 1004 NZ LYS A 63 -10.189 -10.134 14.941 1.00 0.00 N ATOM 0 H LYS A 63 -8.554 -8.263 11.092 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.234 -5.759 10.083 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.367 -5.439 12.220 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.683 -7.014 11.519 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.541 -7.699 13.016 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.052 -6.308 13.951 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.313 -7.264 14.221 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.905 -8.608 13.174 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.882 -8.493 15.213 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.429 -8.330 16.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.813 -10.644 15.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.211 -10.311 14.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.711 -10.469 14.080 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.852 -3.953 10.961 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.924 -2.896 11.325 1.00 0.00 C ATOM 1020 C GLU A 64 -5.487 -3.327 11.027 1.00 0.00 C ATOM 1021 O GLU A 64 -4.619 -3.247 11.894 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.086 -2.507 12.796 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.564 -2.398 13.175 1.00 0.00 C ATOM 1024 CD GLU A 64 -8.730 -1.767 14.559 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -8.346 -2.440 15.540 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -9.239 -0.626 14.605 1.00 0.00 O ATOM 0 H GLU A 64 -8.590 -3.669 10.317 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.151 -2.016 10.724 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.599 -3.250 13.428 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.588 -1.555 12.981 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.090 -1.798 12.432 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.019 -3.388 13.166 1.00 0.00 H new ATOM 1033 N SER A 65 -5.280 -3.774 9.797 1.00 0.00 N ATOM 1034 CA SER A 65 -3.963 -4.217 9.373 1.00 0.00 C ATOM 1035 C SER A 65 -3.054 -3.008 9.138 1.00 0.00 C ATOM 1036 O SER A 65 -3.536 -1.906 8.879 1.00 0.00 O ATOM 1037 CB SER A 65 -4.049 -5.069 8.106 1.00 0.00 C ATOM 1038 OG SER A 65 -4.991 -4.545 7.173 1.00 0.00 O ATOM 0 H SER A 65 -6.003 -3.839 9.080 1.00 0.00 H new ATOM 0 HA SER A 65 -3.539 -4.834 10.165 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.066 -5.122 7.638 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.331 -6.088 8.373 1.00 0.00 H new ATOM 0 HG SER A 65 -5.894 -4.833 7.423 1.00 0.00 H new ATOM 1044 N THR A 66 -1.756 -3.255 9.239 1.00 0.00 N ATOM 1045 CA THR A 66 -0.776 -2.201 9.041 1.00 0.00 C ATOM 1046 C THR A 66 -0.153 -2.307 7.647 1.00 0.00 C ATOM 1047 O THR A 66 0.681 -3.177 7.400 1.00 0.00 O ATOM 1048 CB THR A 66 0.249 -2.290 10.172 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.428 -1.736 11.298 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.441 -1.355 9.958 1.00 0.00 C ATOM 0 H THR A 66 -1.360 -4.170 9.455 1.00 0.00 H new ATOM 0 HA THR A 66 -1.241 -1.216 9.081 1.00 0.00 H new ATOM 0 HB THR A 66 0.604 -3.317 10.259 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.165 -1.756 12.078 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.138 -1.458 10.790 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.945 -1.616 9.027 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.090 -0.324 9.904 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.582 -1.409 6.773 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.077 -1.390 5.410 1.00 0.00 C ATOM 1060 C LEU A 67 0.824 -0.167 5.222 1.00 0.00 C ATOM 1061 O LEU A 67 0.583 0.883 5.814 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.232 -1.464 4.410 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.145 -2.685 4.528 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.161 -2.504 5.658 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.824 -2.994 3.192 1.00 0.00 C ATOM 0 H LEU A 67 -1.274 -0.689 6.982 1.00 0.00 H new ATOM 0 HA LEU A 67 0.536 -2.270 5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.842 -0.567 4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.816 -1.442 3.403 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.529 -3.547 4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.798 -3.387 5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.634 -2.370 6.603 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.776 -1.627 5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.467 -3.867 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.424 -2.138 2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.065 -3.197 2.437 1.00 0.00 H new ATOM 1077 N HIS A 68 1.842 -0.345 4.393 1.00 0.00 N ATOM 1078 CA HIS A 68 2.780 0.731 4.119 1.00 0.00 C ATOM 1079 C HIS A 68 2.544 1.269 2.706 1.00 0.00 C ATOM 1080 O HIS A 68 2.721 0.549 1.725 1.00 0.00 O ATOM 1081 CB HIS A 68 4.220 0.266 4.343 1.00 0.00 C ATOM 1082 CG HIS A 68 4.986 1.102 5.340 1.00 0.00 C ATOM 1083 ND1 HIS A 68 6.258 1.590 5.090 1.00 0.00 N ATOM 1084 CD2 HIS A 68 4.649 1.532 6.590 1.00 0.00 C ATOM 1085 CE1 HIS A 68 6.657 2.279 6.149 1.00 0.00 C ATOM 1086 NE2 HIS A 68 5.659 2.242 7.077 1.00 0.00 N ATOM 0 H HIS A 68 2.038 -1.217 3.902 1.00 0.00 H new ATOM 0 HA HIS A 68 2.612 1.552 4.816 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.208 -0.769 4.685 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.748 0.281 3.390 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.718 1.329 7.098 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.607 2.782 6.258 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.684 2.687 7.995 1.00 0.00 H new ATOM 1094 N LEU A 69 2.147 2.532 2.647 1.00 0.00 N ATOM 1095 CA LEU A 69 1.885 3.175 1.372 1.00 0.00 C ATOM 1096 C LEU A 69 3.125 3.958 0.936 1.00 0.00 C ATOM 1097 O LEU A 69 3.571 4.865 1.638 1.00 0.00 O ATOM 1098 CB LEU A 69 0.617 4.028 1.452 1.00 0.00 C ATOM 1099 CG LEU A 69 0.526 5.190 0.461 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.531 4.681 -0.982 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -0.692 6.067 0.755 1.00 0.00 C ATOM 0 H LEU A 69 2.001 3.127 3.463 1.00 0.00 H new ATOM 0 HA LEU A 69 1.691 2.428 0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.244 3.378 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.537 4.431 2.462 1.00 0.00 H new ATOM 0 HG LEU A 69 1.410 5.815 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.465 5.527 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.453 4.132 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.322 4.021 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.733 6.885 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.599 5.468 0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.613 6.473 1.763 1.00 0.00 H new ATOM 1113 N VAL A 70 3.649 3.579 -0.221 1.00 0.00 N ATOM 1114 CA VAL A 70 4.829 4.234 -0.758 1.00 0.00 C ATOM 1115 C VAL A 70 4.456 4.972 -2.047 1.00 0.00 C ATOM 1116 O VAL A 70 3.720 4.443 -2.877 1.00 0.00 O ATOM 1117 CB VAL A 70 5.950 3.211 -0.959 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.201 3.874 -1.537 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.269 2.484 0.350 1.00 0.00 C ATOM 0 H VAL A 70 3.278 2.827 -0.801 1.00 0.00 H new ATOM 0 HA VAL A 70 5.206 4.977 -0.055 1.00 0.00 H new ATOM 0 HB VAL A 70 5.602 2.470 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.982 3.125 -1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.962 4.324 -2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.552 4.647 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.068 1.763 0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.587 3.208 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.379 1.963 0.703 1.00 0.00 H new