USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= 0.368 K(o=0.84,f=-1.4) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.473 K(o=0.84,f=-0.86) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.73 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.784 K(o=1.5,f=0.036) USER MOD Set 3.1: A 7 THR OG1 : rot 126:sc=-0.000485 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -169:sc= -0.0628 (180deg=-0.529) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -151:sc= 1.14 (180deg=0.828) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0832 USER MOD Single : A 14 THR OG1 : rot -78:sc= 0.494 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.67) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc=-0.00564 (180deg=-0.16) USER MOD Single : A 40 GLN : amide:sc= 1.16 K(o=1.2,f=-0.022) USER MOD Single : A 41 ASN : amide:sc= -1.42! K(o=-1.4!,f=-0.67) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.48) USER MOD Single : A 55 THR OG1 : rot -56:sc= 1.31 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.773 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -89:sc= 1.3 USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00603 USER MOD Single : A 68 HIS : no HD1:sc= -0.0799 X(o=-0.08,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.048 -4.850 0.069 1.00 0.00 N ATOM 2 CA MET A 1 14.071 -4.058 0.827 1.00 0.00 C ATOM 3 C MET A 1 12.696 -4.644 0.602 1.00 0.00 C ATOM 4 O MET A 1 12.241 -4.689 -0.539 1.00 0.00 O ATOM 5 CB MET A 1 14.123 -2.577 0.413 1.00 0.00 C ATOM 6 CG MET A 1 12.918 -1.756 0.889 1.00 0.00 C ATOM 7 SD MET A 1 13.108 0.027 0.637 1.00 0.00 S ATOM 8 CE MET A 1 11.638 0.608 1.514 1.00 0.00 C ATOM 0 H1 MET A 1 16.000 -4.458 0.214 1.00 0.00 H new ATOM 0 H2 MET A 1 15.026 -5.836 0.398 1.00 0.00 H new ATOM 0 H3 MET A 1 14.811 -4.817 -0.943 1.00 0.00 H new ATOM 0 HA MET A 1 14.311 -4.098 1.890 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.034 -2.131 0.811 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.186 -2.516 -0.673 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.027 -2.096 0.362 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.754 -1.949 1.949 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.482 1.666 1.301 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.769 0.039 1.184 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.776 0.470 2.586 1.00 0.00 H new ATOM 18 N GLN A 2 12.056 -5.159 1.648 1.00 0.00 N ATOM 19 CA GLN A 2 10.717 -5.714 1.532 1.00 0.00 C ATOM 20 C GLN A 2 9.782 -4.961 2.472 1.00 0.00 C ATOM 21 O GLN A 2 10.236 -4.278 3.382 1.00 0.00 O ATOM 22 CB GLN A 2 10.720 -7.241 1.720 1.00 0.00 C ATOM 23 CG GLN A 2 11.353 -7.715 3.032 1.00 0.00 C ATOM 24 CD GLN A 2 11.153 -9.215 3.221 1.00 0.00 C ATOM 25 OE1 GLN A 2 11.925 -10.031 2.734 1.00 0.00 O ATOM 26 NE2 GLN A 2 10.128 -9.628 3.948 1.00 0.00 N ATOM 0 H GLN A 2 12.448 -5.202 2.589 1.00 0.00 H new ATOM 0 HA GLN A 2 10.335 -5.570 0.521 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.693 -7.603 1.675 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.255 -7.697 0.887 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.418 -7.483 3.031 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.910 -7.176 3.870 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.484 -8.949 4.354 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.981 -10.626 4.102 1.00 0.00 H new ATOM 35 N ILE A 3 8.487 -4.975 2.190 1.00 0.00 N ATOM 36 CA ILE A 3 7.440 -4.354 2.990 1.00 0.00 C ATOM 37 C ILE A 3 6.322 -5.383 3.138 1.00 0.00 C ATOM 38 O ILE A 3 6.337 -6.433 2.479 1.00 0.00 O ATOM 39 CB ILE A 3 6.955 -3.010 2.396 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.311 -3.183 1.001 1.00 0.00 C ATOM 41 CG2 ILE A 3 8.112 -1.993 2.385 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.498 -1.962 0.553 1.00 0.00 C ATOM 0 H ILE A 3 8.121 -5.441 1.360 1.00 0.00 H new ATOM 0 HA ILE A 3 7.824 -4.082 3.973 1.00 0.00 H new ATOM 0 HB ILE A 3 6.165 -2.619 3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.094 -3.378 0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.662 -4.058 1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.763 -1.049 1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.462 -1.830 3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.930 -2.379 1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.074 -2.149 -0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.694 -1.779 1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.148 -1.088 0.508 1.00 0.00 H new ATOM 54 N PHE A 4 5.353 -5.104 3.997 1.00 0.00 N ATOM 55 CA PHE A 4 4.204 -5.947 4.239 1.00 0.00 C ATOM 56 C PHE A 4 2.963 -5.091 4.047 1.00 0.00 C ATOM 57 O PHE A 4 3.008 -3.874 4.248 1.00 0.00 O ATOM 58 CB PHE A 4 4.209 -6.533 5.653 1.00 0.00 C ATOM 59 CG PHE A 4 5.378 -7.427 6.004 1.00 0.00 C ATOM 60 CD1 PHE A 4 5.381 -8.778 5.611 1.00 0.00 C ATOM 61 CD2 PHE A 4 6.437 -6.922 6.781 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.431 -9.625 6.005 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.486 -7.770 7.171 1.00 0.00 C ATOM 64 CZ PHE A 4 7.481 -9.124 6.794 1.00 0.00 C ATOM 0 H PHE A 4 5.350 -4.254 4.561 1.00 0.00 H new ATOM 0 HA PHE A 4 4.224 -6.788 3.545 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.183 -5.708 6.365 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.290 -7.102 5.791 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.575 -9.165 5.005 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.443 -5.883 7.077 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.431 -10.661 5.701 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.300 -7.380 7.763 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.281 -9.777 7.109 1.00 0.00 H new ATOM 74 N VAL A 5 1.846 -5.711 3.673 1.00 0.00 N ATOM 75 CA VAL A 5 0.596 -4.996 3.476 1.00 0.00 C ATOM 76 C VAL A 5 -0.515 -5.845 4.083 1.00 0.00 C ATOM 77 O VAL A 5 -0.662 -7.017 3.738 1.00 0.00 O ATOM 78 CB VAL A 5 0.345 -4.672 1.984 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.827 -3.684 1.857 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.564 -4.063 1.266 1.00 0.00 C ATOM 0 H VAL A 5 1.786 -6.714 3.500 1.00 0.00 H new ATOM 0 HA VAL A 5 0.632 -4.027 3.973 1.00 0.00 H new ATOM 0 HB VAL A 5 0.124 -5.626 1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.000 -3.458 0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.725 -4.128 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.587 -2.764 2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.311 -3.863 0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.847 -3.131 1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.398 -4.763 1.309 1.00 0.00 H new ATOM 90 N LYS A 6 -1.283 -5.261 5.000 1.00 0.00 N ATOM 91 CA LYS A 6 -2.411 -5.890 5.669 1.00 0.00 C ATOM 92 C LYS A 6 -3.615 -5.499 4.826 1.00 0.00 C ATOM 93 O LYS A 6 -3.947 -4.311 4.749 1.00 0.00 O ATOM 94 CB LYS A 6 -2.490 -5.411 7.125 1.00 0.00 C ATOM 95 CG LYS A 6 -3.769 -5.813 7.882 1.00 0.00 C ATOM 96 CD LYS A 6 -4.177 -7.292 7.796 1.00 0.00 C ATOM 97 CE LYS A 6 -3.094 -8.311 8.178 1.00 0.00 C ATOM 98 NZ LYS A 6 -2.701 -8.235 9.596 1.00 0.00 N ATOM 0 H LYS A 6 -1.128 -4.301 5.306 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.338 -6.975 5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.629 -5.803 7.666 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.407 -4.324 7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.639 -5.555 8.933 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.594 -5.208 7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.040 -7.449 8.443 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.501 -7.501 6.776 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.457 -9.316 7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.215 -8.148 7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.968 -8.946 9.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.327 -7.287 9.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.530 -8.418 10.196 1.00 0.00 H new ATOM 112 N THR A 7 -4.193 -6.458 4.111 1.00 0.00 N ATOM 113 CA THR A 7 -5.336 -6.195 3.258 1.00 0.00 C ATOM 114 C THR A 7 -6.590 -5.956 4.098 1.00 0.00 C ATOM 115 O THR A 7 -6.639 -6.301 5.281 1.00 0.00 O ATOM 116 CB THR A 7 -5.538 -7.355 2.260 1.00 0.00 C ATOM 117 OG1 THR A 7 -6.023 -8.495 2.930 1.00 0.00 O ATOM 118 CG2 THR A 7 -4.250 -7.730 1.522 1.00 0.00 C ATOM 0 H THR A 7 -3.883 -7.430 4.109 1.00 0.00 H new ATOM 0 HA THR A 7 -5.145 -5.288 2.684 1.00 0.00 H new ATOM 0 HB THR A 7 -6.261 -7.006 1.523 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.842 -8.808 2.492 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.451 -8.551 0.834 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.887 -6.868 0.963 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.494 -8.039 2.244 1.00 0.00 H new ATOM 126 N LEU A 8 -7.631 -5.411 3.462 1.00 0.00 N ATOM 127 CA LEU A 8 -8.916 -5.147 4.101 1.00 0.00 C ATOM 128 C LEU A 8 -9.653 -6.454 4.438 1.00 0.00 C ATOM 129 O LEU A 8 -10.705 -6.402 5.063 1.00 0.00 O ATOM 130 CB LEU A 8 -9.796 -4.220 3.235 1.00 0.00 C ATOM 131 CG LEU A 8 -10.452 -4.859 1.988 1.00 0.00 C ATOM 132 CD1 LEU A 8 -11.513 -3.912 1.419 1.00 0.00 C ATOM 133 CD2 LEU A 8 -9.438 -5.172 0.879 1.00 0.00 C ATOM 0 H LEU A 8 -7.601 -5.139 2.479 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.713 -4.629 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.586 -3.813 3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.185 -3.379 2.906 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.897 -5.799 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -11.972 -4.366 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.277 -3.727 2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.045 -2.969 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.954 -5.619 0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.949 -4.251 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.690 -5.869 1.256 1.00 0.00 H new ATOM 145 N THR A 9 -9.139 -7.611 4.005 1.00 0.00 N ATOM 146 CA THR A 9 -9.720 -8.925 4.260 1.00 0.00 C ATOM 147 C THR A 9 -9.073 -9.545 5.519 1.00 0.00 C ATOM 148 O THR A 9 -9.501 -10.594 6.007 1.00 0.00 O ATOM 149 CB THR A 9 -9.605 -9.811 2.989 1.00 0.00 C ATOM 150 OG1 THR A 9 -8.406 -10.563 2.945 1.00 0.00 O ATOM 151 CG2 THR A 9 -9.668 -9.041 1.661 1.00 0.00 C ATOM 0 H THR A 9 -8.283 -7.655 3.452 1.00 0.00 H new ATOM 0 HA THR A 9 -10.786 -8.840 4.473 1.00 0.00 H new ATOM 0 HB THR A 9 -10.479 -10.456 3.081 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.388 -11.102 2.127 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.580 -9.741 0.830 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.619 -8.513 1.591 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.850 -8.322 1.618 1.00 0.00 H new ATOM 159 N GLY A 10 -7.972 -8.953 5.995 1.00 0.00 N ATOM 160 CA GLY A 10 -7.198 -9.357 7.156 1.00 0.00 C ATOM 161 C GLY A 10 -5.984 -10.197 6.756 1.00 0.00 C ATOM 162 O GLY A 10 -5.239 -10.653 7.627 1.00 0.00 O ATOM 0 H GLY A 10 -7.579 -8.126 5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.866 -8.472 7.699 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.830 -9.930 7.835 1.00 0.00 H new ATOM 166 N LYS A 11 -5.717 -10.352 5.454 1.00 0.00 N ATOM 167 CA LYS A 11 -4.586 -11.139 4.969 1.00 0.00 C ATOM 168 C LYS A 11 -3.322 -10.291 5.051 1.00 0.00 C ATOM 169 O LYS A 11 -3.403 -9.062 5.118 1.00 0.00 O ATOM 170 CB LYS A 11 -4.873 -11.536 3.501 1.00 0.00 C ATOM 171 CG LYS A 11 -5.128 -13.033 3.290 1.00 0.00 C ATOM 172 CD LYS A 11 -3.841 -13.869 3.226 1.00 0.00 C ATOM 173 CE LYS A 11 -2.887 -13.494 2.078 1.00 0.00 C ATOM 174 NZ LYS A 11 -3.541 -13.544 0.751 1.00 0.00 N ATOM 0 H LYS A 11 -6.279 -9.935 4.712 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.446 -12.037 5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.741 -10.979 3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.028 -11.233 2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.754 -13.405 4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.689 -13.172 2.366 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.309 -13.765 4.171 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.111 -14.920 3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.497 -12.491 2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.034 -14.173 2.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.834 -13.773 0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.282 -14.274 0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.968 -12.620 0.539 1.00 0.00 H new ATOM 188 N THR A 12 -2.154 -10.921 4.951 1.00 0.00 N ATOM 189 CA THR A 12 -0.882 -10.217 4.998 1.00 0.00 C ATOM 190 C THR A 12 -0.121 -10.580 3.730 1.00 0.00 C ATOM 191 O THR A 12 -0.010 -11.757 3.380 1.00 0.00 O ATOM 192 CB THR A 12 -0.135 -10.571 6.292 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.984 -10.337 7.400 1.00 0.00 O ATOM 194 CG2 THR A 12 1.130 -9.726 6.483 1.00 0.00 C ATOM 0 H THR A 12 -2.066 -11.931 4.836 1.00 0.00 H new ATOM 0 HA THR A 12 -1.009 -9.135 5.023 1.00 0.00 H new ATOM 0 HB THR A 12 0.154 -11.619 6.220 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.511 -10.564 8.228 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.623 -10.014 7.412 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.808 -9.892 5.646 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.860 -8.671 6.527 1.00 0.00 H new ATOM 202 N ILE A 13 0.420 -9.574 3.055 1.00 0.00 N ATOM 203 CA ILE A 13 1.189 -9.686 1.824 1.00 0.00 C ATOM 204 C ILE A 13 2.612 -9.252 2.162 1.00 0.00 C ATOM 205 O ILE A 13 2.799 -8.479 3.102 1.00 0.00 O ATOM 206 CB ILE A 13 0.570 -8.789 0.724 1.00 0.00 C ATOM 207 CG1 ILE A 13 -0.972 -8.866 0.663 1.00 0.00 C ATOM 208 CG2 ILE A 13 1.172 -9.080 -0.665 1.00 0.00 C ATOM 209 CD1 ILE A 13 -1.551 -10.264 0.399 1.00 0.00 C ATOM 0 H ILE A 13 0.329 -8.608 3.369 1.00 0.00 H new ATOM 0 HA ILE A 13 1.184 -10.705 1.437 1.00 0.00 H new ATOM 0 HB ILE A 13 0.829 -7.770 1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.375 -8.496 1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.322 -8.192 -0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.709 -8.428 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.246 -8.897 -0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.987 -10.121 -0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.639 -10.209 0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.186 -10.634 -0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.240 -10.943 1.193 1.00 0.00 H new ATOM 221 N THR A 14 3.580 -9.700 1.372 1.00 0.00 N ATOM 222 CA THR A 14 5.001 -9.423 1.480 1.00 0.00 C ATOM 223 C THR A 14 5.461 -9.039 0.068 1.00 0.00 C ATOM 224 O THR A 14 5.219 -9.801 -0.869 1.00 0.00 O ATOM 225 CB THR A 14 5.697 -10.688 2.009 1.00 0.00 C ATOM 226 OG1 THR A 14 5.078 -11.133 3.202 1.00 0.00 O ATOM 227 CG2 THR A 14 7.171 -10.435 2.324 1.00 0.00 C ATOM 0 H THR A 14 3.373 -10.311 0.582 1.00 0.00 H new ATOM 0 HA THR A 14 5.241 -8.614 2.170 1.00 0.00 H new ATOM 0 HB THR A 14 5.614 -11.439 1.224 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.373 -10.575 3.952 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.627 -11.353 2.695 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.687 -10.114 1.419 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.253 -9.657 3.083 1.00 0.00 H new ATOM 235 N LEU A 15 6.062 -7.863 -0.121 1.00 0.00 N ATOM 236 CA LEU A 15 6.525 -7.388 -1.430 1.00 0.00 C ATOM 237 C LEU A 15 7.932 -6.826 -1.309 1.00 0.00 C ATOM 238 O LEU A 15 8.294 -6.346 -0.240 1.00 0.00 O ATOM 239 CB LEU A 15 5.603 -6.273 -1.955 1.00 0.00 C ATOM 240 CG LEU A 15 4.162 -6.703 -2.278 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.346 -5.458 -2.640 1.00 0.00 C ATOM 242 CD2 LEU A 15 4.094 -7.718 -3.425 1.00 0.00 C ATOM 0 H LEU A 15 6.244 -7.205 0.637 1.00 0.00 H new ATOM 0 HA LEU A 15 6.513 -8.232 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.568 -5.475 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.048 -5.851 -2.856 1.00 0.00 H new ATOM 0 HG LEU A 15 3.752 -7.193 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.321 -5.749 -2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.345 -4.766 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.790 -4.972 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.054 -7.987 -3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.522 -7.278 -4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.657 -8.611 -3.154 1.00 0.00 H new ATOM 254 N GLU A 16 8.716 -6.903 -2.378 1.00 0.00 N ATOM 255 CA GLU A 16 10.082 -6.411 -2.488 1.00 0.00 C ATOM 256 C GLU A 16 9.966 -5.120 -3.295 1.00 0.00 C ATOM 257 O GLU A 16 9.678 -5.143 -4.494 1.00 0.00 O ATOM 258 CB GLU A 16 10.966 -7.479 -3.137 1.00 0.00 C ATOM 259 CG GLU A 16 12.445 -7.078 -3.222 1.00 0.00 C ATOM 260 CD GLU A 16 13.271 -8.248 -3.760 1.00 0.00 C ATOM 261 OE1 GLU A 16 13.369 -8.417 -4.995 1.00 0.00 O ATOM 262 OE2 GLU A 16 13.732 -9.090 -2.952 1.00 0.00 O ATOM 0 H GLU A 16 8.394 -7.337 -3.243 1.00 0.00 H new ATOM 0 HA GLU A 16 10.559 -6.203 -1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.881 -8.405 -2.569 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.595 -7.686 -4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.559 -6.211 -3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.809 -6.787 -2.237 1.00 0.00 H new ATOM 269 N VAL A 17 10.173 -3.987 -2.635 1.00 0.00 N ATOM 270 CA VAL A 17 10.066 -2.643 -3.200 1.00 0.00 C ATOM 271 C VAL A 17 11.385 -1.890 -3.002 1.00 0.00 C ATOM 272 O VAL A 17 12.385 -2.493 -2.614 1.00 0.00 O ATOM 273 CB VAL A 17 8.847 -1.945 -2.554 1.00 0.00 C ATOM 274 CG1 VAL A 17 7.555 -2.761 -2.744 1.00 0.00 C ATOM 275 CG2 VAL A 17 9.053 -1.709 -1.051 1.00 0.00 C ATOM 0 H VAL A 17 10.431 -3.977 -1.648 1.00 0.00 H new ATOM 0 HA VAL A 17 9.898 -2.670 -4.277 1.00 0.00 H new ATOM 0 HB VAL A 17 8.750 -0.985 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.722 -2.237 -2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.355 -2.883 -3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.673 -3.741 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.174 -1.217 -0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.204 -2.665 -0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.928 -1.077 -0.898 1.00 0.00 H new ATOM 285 N GLU A 18 11.433 -0.597 -3.312 1.00 0.00 N ATOM 286 CA GLU A 18 12.626 0.221 -3.148 1.00 0.00 C ATOM 287 C GLU A 18 12.223 1.648 -2.767 1.00 0.00 C ATOM 288 O GLU A 18 11.063 2.022 -2.962 1.00 0.00 O ATOM 289 CB GLU A 18 13.516 0.124 -4.402 1.00 0.00 C ATOM 290 CG GLU A 18 12.896 0.558 -5.736 1.00 0.00 C ATOM 291 CD GLU A 18 13.830 0.218 -6.902 1.00 0.00 C ATOM 292 OE1 GLU A 18 13.503 -0.703 -7.686 1.00 0.00 O ATOM 293 OE2 GLU A 18 14.920 0.821 -7.012 1.00 0.00 O ATOM 0 H GLU A 18 10.635 -0.085 -3.688 1.00 0.00 H new ATOM 0 HA GLU A 18 13.238 -0.151 -2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.407 0.728 -4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.846 -0.910 -4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.936 0.061 -5.875 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.701 1.630 -5.720 1.00 0.00 H new ATOM 300 N PRO A 19 13.133 2.480 -2.224 1.00 0.00 N ATOM 301 CA PRO A 19 12.812 3.853 -1.850 1.00 0.00 C ATOM 302 C PRO A 19 12.301 4.695 -3.024 1.00 0.00 C ATOM 303 O PRO A 19 11.602 5.681 -2.789 1.00 0.00 O ATOM 304 CB PRO A 19 14.102 4.454 -1.285 1.00 0.00 C ATOM 305 CG PRO A 19 14.895 3.229 -0.843 1.00 0.00 C ATOM 306 CD PRO A 19 14.527 2.204 -1.914 1.00 0.00 C ATOM 0 HA PRO A 19 12.000 3.852 -1.122 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.640 5.032 -2.037 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.901 5.126 -0.451 1.00 0.00 H new ATOM 0 HG2 PRO A 19 15.967 3.425 -0.818 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.608 2.896 0.155 1.00 0.00 H new ATOM 0 HD2 PRO A 19 15.158 2.310 -2.797 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.658 1.185 -1.549 1.00 0.00 H new ATOM 314 N SER A 20 12.542 4.277 -4.265 1.00 0.00 N ATOM 315 CA SER A 20 12.139 5.021 -5.445 1.00 0.00 C ATOM 316 C SER A 20 11.084 4.266 -6.252 1.00 0.00 C ATOM 317 O SER A 20 10.989 4.427 -7.470 1.00 0.00 O ATOM 318 CB SER A 20 13.406 5.252 -6.274 1.00 0.00 C ATOM 319 OG SER A 20 14.486 5.710 -5.473 1.00 0.00 O ATOM 0 H SER A 20 13.027 3.405 -4.476 1.00 0.00 H new ATOM 0 HA SER A 20 11.680 5.968 -5.161 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.690 4.324 -6.770 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.200 5.982 -7.057 1.00 0.00 H new ATOM 0 HG SER A 20 15.277 5.844 -6.036 1.00 0.00 H new ATOM 325 N ASP A 21 10.255 3.491 -5.556 1.00 0.00 N ATOM 326 CA ASP A 21 9.151 2.711 -6.103 1.00 0.00 C ATOM 327 C ASP A 21 7.915 3.589 -5.852 1.00 0.00 C ATOM 328 O ASP A 21 7.774 4.124 -4.740 1.00 0.00 O ATOM 329 CB ASP A 21 9.127 1.387 -5.324 1.00 0.00 C ATOM 330 CG ASP A 21 8.302 0.267 -5.930 1.00 0.00 C ATOM 331 OD1 ASP A 21 8.711 -0.910 -5.760 1.00 0.00 O ATOM 332 OD2 ASP A 21 7.218 0.531 -6.482 1.00 0.00 O ATOM 0 H ASP A 21 10.341 3.386 -4.545 1.00 0.00 H new ATOM 0 HA ASP A 21 9.215 2.463 -7.163 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.153 1.036 -5.214 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.749 1.587 -4.321 1.00 0.00 H new ATOM 337 N THR A 22 7.071 3.852 -6.856 1.00 0.00 N ATOM 338 CA THR A 22 5.891 4.691 -6.642 1.00 0.00 C ATOM 339 C THR A 22 4.796 3.889 -5.951 1.00 0.00 C ATOM 340 O THR A 22 4.700 2.667 -6.096 1.00 0.00 O ATOM 341 CB THR A 22 5.344 5.213 -7.987 1.00 0.00 C ATOM 342 OG1 THR A 22 5.388 4.201 -8.975 1.00 0.00 O ATOM 343 CG2 THR A 22 6.094 6.444 -8.490 1.00 0.00 C ATOM 0 H THR A 22 7.181 3.502 -7.808 1.00 0.00 H new ATOM 0 HA THR A 22 6.187 5.534 -6.017 1.00 0.00 H new ATOM 0 HB THR A 22 4.310 5.505 -7.803 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.035 4.552 -9.819 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.667 6.768 -9.439 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.005 7.248 -7.759 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.146 6.197 -8.631 1.00 0.00 H new ATOM 351 N ILE A 23 3.873 4.586 -5.283 1.00 0.00 N ATOM 352 CA ILE A 23 2.759 3.891 -4.640 1.00 0.00 C ATOM 353 C ILE A 23 1.902 3.226 -5.729 1.00 0.00 C ATOM 354 O ILE A 23 1.222 2.247 -5.454 1.00 0.00 O ATOM 355 CB ILE A 23 1.966 4.821 -3.718 1.00 0.00 C ATOM 356 CG1 ILE A 23 2.847 5.466 -2.624 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.760 4.113 -3.078 1.00 0.00 C ATOM 358 CD1 ILE A 23 3.573 4.492 -1.688 1.00 0.00 C ATOM 0 H ILE A 23 3.873 5.600 -5.175 1.00 0.00 H new ATOM 0 HA ILE A 23 3.137 3.108 -3.982 1.00 0.00 H new ATOM 0 HB ILE A 23 1.593 5.620 -4.359 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.592 6.096 -3.110 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.220 6.121 -2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.228 4.812 -2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.089 3.759 -3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.107 3.266 -2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.160 5.054 -0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.841 3.877 -1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.234 3.851 -2.271 1.00 0.00 H new ATOM 370 N GLU A 24 1.918 3.760 -6.953 1.00 0.00 N ATOM 371 CA GLU A 24 1.193 3.245 -8.107 1.00 0.00 C ATOM 372 C GLU A 24 1.572 1.777 -8.334 1.00 0.00 C ATOM 373 O GLU A 24 0.711 0.935 -8.591 1.00 0.00 O ATOM 374 CB GLU A 24 1.556 4.148 -9.293 1.00 0.00 C ATOM 375 CG GLU A 24 1.130 3.628 -10.668 1.00 0.00 C ATOM 376 CD GLU A 24 1.385 4.683 -11.745 1.00 0.00 C ATOM 377 OE1 GLU A 24 0.741 5.758 -11.675 1.00 0.00 O ATOM 378 OE2 GLU A 24 2.234 4.464 -12.639 1.00 0.00 O ATOM 0 H GLU A 24 2.460 4.596 -7.171 1.00 0.00 H new ATOM 0 HA GLU A 24 0.112 3.262 -7.965 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.101 5.126 -9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.636 4.296 -9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.681 2.718 -10.905 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.072 3.365 -10.652 1.00 0.00 H new ATOM 385 N ASN A 25 2.870 1.477 -8.244 1.00 0.00 N ATOM 386 CA ASN A 25 3.423 0.141 -8.407 1.00 0.00 C ATOM 387 C ASN A 25 3.030 -0.697 -7.197 1.00 0.00 C ATOM 388 O ASN A 25 2.438 -1.763 -7.348 1.00 0.00 O ATOM 389 CB ASN A 25 4.946 0.213 -8.544 1.00 0.00 C ATOM 390 CG ASN A 25 5.361 0.438 -9.978 1.00 0.00 C ATOM 391 OD1 ASN A 25 5.484 -0.513 -10.740 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.567 1.671 -10.393 1.00 0.00 N ATOM 0 H ASN A 25 3.582 2.182 -8.050 1.00 0.00 H new ATOM 0 HA ASN A 25 3.027 -0.319 -9.312 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.331 1.021 -7.921 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.390 -0.712 -8.176 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.833 1.845 -11.362 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.460 2.452 -9.745 1.00 0.00 H new ATOM 399 N VAL A 26 3.303 -0.195 -5.990 1.00 0.00 N ATOM 400 CA VAL A 26 3.001 -0.872 -4.731 1.00 0.00 C ATOM 401 C VAL A 26 1.511 -1.256 -4.642 1.00 0.00 C ATOM 402 O VAL A 26 1.175 -2.330 -4.129 1.00 0.00 O ATOM 403 CB VAL A 26 3.445 0.040 -3.563 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.131 -0.560 -2.187 1.00 0.00 C ATOM 405 CG2 VAL A 26 4.947 0.354 -3.598 1.00 0.00 C ATOM 0 H VAL A 26 3.750 0.713 -5.860 1.00 0.00 H new ATOM 0 HA VAL A 26 3.553 -1.810 -4.674 1.00 0.00 H new ATOM 0 HB VAL A 26 2.871 0.956 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.465 0.124 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.056 -0.718 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.648 -1.513 -2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.204 0.997 -2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.514 -0.574 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.191 0.863 -4.531 1.00 0.00 H new ATOM 415 N LYS A 27 0.602 -0.403 -5.123 1.00 0.00 N ATOM 416 CA LYS A 27 -0.839 -0.644 -5.108 1.00 0.00 C ATOM 417 C LYS A 27 -1.243 -1.636 -6.201 1.00 0.00 C ATOM 418 O LYS A 27 -2.306 -2.230 -6.076 1.00 0.00 O ATOM 419 CB LYS A 27 -1.580 0.699 -5.252 1.00 0.00 C ATOM 420 CG LYS A 27 -3.094 0.584 -4.988 1.00 0.00 C ATOM 421 CD LYS A 27 -3.820 1.938 -4.972 1.00 0.00 C ATOM 422 CE LYS A 27 -3.740 2.616 -6.346 1.00 0.00 C ATOM 423 NZ LYS A 27 -4.638 3.786 -6.466 1.00 0.00 N ATOM 0 H LYS A 27 0.855 0.492 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.120 -1.096 -4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.150 1.421 -4.558 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.421 1.089 -6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.541 -0.049 -5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.251 0.086 -4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.864 1.793 -4.694 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.375 2.585 -4.216 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.713 2.933 -6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.993 1.890 -7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.541 4.202 -7.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.622 3.484 -6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.383 4.495 -5.749 1.00 0.00 H new ATOM 437 N ALA A 28 -0.415 -1.865 -7.224 1.00 0.00 N ATOM 438 CA ALA A 28 -0.701 -2.803 -8.303 1.00 0.00 C ATOM 439 C ALA A 28 -0.202 -4.196 -7.934 1.00 0.00 C ATOM 440 O ALA A 28 -0.921 -5.175 -8.115 1.00 0.00 O ATOM 441 CB ALA A 28 -0.064 -2.321 -9.601 1.00 0.00 C ATOM 0 H ALA A 28 0.485 -1.395 -7.324 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.779 -2.856 -8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.284 -3.030 -10.399 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.467 -1.343 -9.863 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.016 -2.246 -9.470 1.00 0.00 H new ATOM 447 N LYS A 29 0.995 -4.300 -7.345 1.00 0.00 N ATOM 448 CA LYS A 29 1.579 -5.579 -6.935 1.00 0.00 C ATOM 449 C LYS A 29 0.616 -6.353 -6.029 1.00 0.00 C ATOM 450 O LYS A 29 0.456 -7.565 -6.171 1.00 0.00 O ATOM 451 CB LYS A 29 2.930 -5.344 -6.249 1.00 0.00 C ATOM 452 CG LYS A 29 4.047 -4.936 -7.225 1.00 0.00 C ATOM 453 CD LYS A 29 5.410 -5.027 -6.525 1.00 0.00 C ATOM 454 CE LYS A 29 6.562 -4.424 -7.335 1.00 0.00 C ATOM 455 NZ LYS A 29 6.802 -5.098 -8.625 1.00 0.00 N ATOM 0 H LYS A 29 1.587 -3.495 -7.139 1.00 0.00 H new ATOM 0 HA LYS A 29 1.750 -6.189 -7.822 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.815 -4.566 -5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.228 -6.254 -5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.033 -5.586 -8.100 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.878 -3.920 -7.581 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.349 -4.518 -5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.633 -6.074 -6.318 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.351 -3.371 -7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.474 -4.466 -6.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.594 -4.636 -9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.035 -6.098 -8.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.947 -5.036 -9.213 1.00 0.00 H new ATOM 469 N ILE A 30 -0.071 -5.675 -5.106 1.00 0.00 N ATOM 470 CA ILE A 30 -1.024 -6.346 -4.224 1.00 0.00 C ATOM 471 C ILE A 30 -2.191 -6.963 -5.017 1.00 0.00 C ATOM 472 O ILE A 30 -2.803 -7.922 -4.550 1.00 0.00 O ATOM 473 CB ILE A 30 -1.517 -5.424 -3.089 1.00 0.00 C ATOM 474 CG1 ILE A 30 -2.112 -4.106 -3.627 1.00 0.00 C ATOM 475 CG2 ILE A 30 -0.367 -5.167 -2.101 1.00 0.00 C ATOM 476 CD1 ILE A 30 -2.898 -3.289 -2.599 1.00 0.00 C ATOM 0 H ILE A 30 0.015 -4.670 -4.952 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.491 -7.167 -3.745 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.328 -5.928 -2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.301 -3.490 -4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.769 -4.336 -4.466 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.715 -4.516 -1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.031 -6.114 -1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.461 -4.689 -2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.277 -2.381 -3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.734 -3.881 -2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.244 -3.022 -1.769 1.00 0.00 H new ATOM 488 N GLN A 31 -2.525 -6.452 -6.201 1.00 0.00 N ATOM 489 CA GLN A 31 -3.612 -6.958 -7.038 1.00 0.00 C ATOM 490 C GLN A 31 -3.165 -8.228 -7.763 1.00 0.00 C ATOM 491 O GLN A 31 -3.995 -9.014 -8.215 1.00 0.00 O ATOM 492 CB GLN A 31 -4.084 -5.881 -8.029 1.00 0.00 C ATOM 493 CG GLN A 31 -4.150 -4.515 -7.337 1.00 0.00 C ATOM 494 CD GLN A 31 -4.797 -3.435 -8.177 1.00 0.00 C ATOM 495 OE1 GLN A 31 -4.245 -2.957 -9.163 1.00 0.00 O ATOM 496 NE2 GLN A 31 -5.978 -3.008 -7.796 1.00 0.00 N ATOM 0 H GLN A 31 -2.037 -5.657 -6.614 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.461 -7.209 -6.402 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.402 -5.834 -8.878 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.065 -6.145 -8.423 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.704 -4.617 -6.404 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.139 -4.202 -7.075 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.426 -3.414 -6.974 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.448 -2.271 -8.321 1.00 0.00 H new ATOM 505 N ASP A 32 -1.860 -8.445 -7.919 1.00 0.00 N ATOM 506 CA ASP A 32 -1.304 -9.639 -8.556 1.00 0.00 C ATOM 507 C ASP A 32 -1.365 -10.784 -7.528 1.00 0.00 C ATOM 508 O ASP A 32 -1.596 -11.942 -7.877 1.00 0.00 O ATOM 509 CB ASP A 32 0.130 -9.322 -9.024 1.00 0.00 C ATOM 510 CG ASP A 32 0.964 -10.505 -9.517 1.00 0.00 C ATOM 511 OD1 ASP A 32 0.442 -11.591 -9.842 1.00 0.00 O ATOM 512 OD2 ASP A 32 2.209 -10.368 -9.558 1.00 0.00 O ATOM 0 H ASP A 32 -1.148 -7.787 -7.602 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.867 -9.946 -9.437 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.072 -8.587 -9.827 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.662 -8.850 -8.198 1.00 0.00 H new ATOM 517 N LYS A 33 -1.260 -10.472 -6.231 1.00 0.00 N ATOM 518 CA LYS A 33 -1.290 -11.453 -5.143 1.00 0.00 C ATOM 519 C LYS A 33 -2.625 -11.585 -4.400 1.00 0.00 C ATOM 520 O LYS A 33 -2.768 -12.541 -3.641 1.00 0.00 O ATOM 521 CB LYS A 33 -0.122 -11.172 -4.184 1.00 0.00 C ATOM 522 CG LYS A 33 1.174 -11.825 -4.681 1.00 0.00 C ATOM 523 CD LYS A 33 2.297 -11.569 -3.670 1.00 0.00 C ATOM 524 CE LYS A 33 3.514 -12.477 -3.875 1.00 0.00 C ATOM 525 NZ LYS A 33 3.212 -13.900 -3.607 1.00 0.00 N ATOM 0 H LYS A 33 -1.150 -9.512 -5.903 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.175 -12.431 -5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.023 -10.096 -4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.365 -11.550 -3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.026 -12.897 -4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.448 -11.419 -5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.612 -10.528 -3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.909 -11.715 -2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.873 -12.372 -4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.321 -12.151 -3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.100 -14.437 -3.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.692 -13.982 -2.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.631 -14.283 -4.380 1.00 0.00 H new ATOM 539 N GLU A 34 -3.581 -10.666 -4.521 1.00 0.00 N ATOM 540 CA GLU A 34 -4.870 -10.743 -3.824 1.00 0.00 C ATOM 541 C GLU A 34 -5.981 -10.293 -4.781 1.00 0.00 C ATOM 542 O GLU A 34 -5.716 -9.581 -5.756 1.00 0.00 O ATOM 543 CB GLU A 34 -4.783 -9.867 -2.557 1.00 0.00 C ATOM 544 CG GLU A 34 -5.900 -10.039 -1.519 1.00 0.00 C ATOM 545 CD GLU A 34 -5.651 -11.262 -0.636 1.00 0.00 C ATOM 546 OE1 GLU A 34 -4.954 -11.151 0.392 1.00 0.00 O ATOM 547 OE2 GLU A 34 -6.138 -12.363 -0.963 1.00 0.00 O ATOM 0 H GLU A 34 -3.485 -9.839 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.105 -11.761 -3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.830 -10.071 -2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.765 -8.822 -2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.963 -9.146 -0.898 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.859 -10.143 -2.027 1.00 0.00 H new ATOM 554 N GLY A 35 -7.228 -10.688 -4.513 1.00 0.00 N ATOM 555 CA GLY A 35 -8.396 -10.358 -5.316 1.00 0.00 C ATOM 556 C GLY A 35 -8.910 -8.963 -4.981 1.00 0.00 C ATOM 557 O GLY A 35 -9.982 -8.842 -4.387 1.00 0.00 O ATOM 0 H GLY A 35 -7.454 -11.265 -3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.141 -10.412 -6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.183 -11.092 -5.140 1.00 0.00 H new ATOM 561 N ILE A 36 -8.184 -7.904 -5.348 1.00 0.00 N ATOM 562 CA ILE A 36 -8.584 -6.524 -5.063 1.00 0.00 C ATOM 563 C ILE A 36 -8.349 -5.602 -6.279 1.00 0.00 C ATOM 564 O ILE A 36 -7.197 -5.269 -6.562 1.00 0.00 O ATOM 565 CB ILE A 36 -7.875 -6.014 -3.777 1.00 0.00 C ATOM 566 CG1 ILE A 36 -6.362 -6.351 -3.718 1.00 0.00 C ATOM 567 CG2 ILE A 36 -8.595 -6.575 -2.535 1.00 0.00 C ATOM 568 CD1 ILE A 36 -5.658 -5.886 -2.442 1.00 0.00 C ATOM 0 H ILE A 36 -7.301 -7.980 -5.852 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.657 -6.503 -4.874 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.937 -4.926 -3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.239 -7.430 -3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.868 -5.897 -4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.098 -6.217 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.632 -6.241 -2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.565 -7.664 -2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.605 -6.163 -2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.745 -4.803 -2.352 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.122 -6.360 -1.577 1.00 0.00 H new ATOM 580 N PRO A 37 -9.405 -5.153 -6.985 1.00 0.00 N ATOM 581 CA PRO A 37 -9.292 -4.260 -8.133 1.00 0.00 C ATOM 582 C PRO A 37 -9.004 -2.833 -7.641 1.00 0.00 C ATOM 583 O PRO A 37 -9.122 -2.561 -6.442 1.00 0.00 O ATOM 584 CB PRO A 37 -10.649 -4.363 -8.844 1.00 0.00 C ATOM 585 CG PRO A 37 -11.622 -4.603 -7.695 1.00 0.00 C ATOM 586 CD PRO A 37 -10.802 -5.479 -6.754 1.00 0.00 C ATOM 0 HA PRO A 37 -8.479 -4.522 -8.810 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.888 -3.451 -9.391 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.666 -5.181 -9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.928 -3.671 -7.220 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.531 -5.104 -8.029 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.076 -5.292 -5.716 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.989 -6.535 -6.948 1.00 0.00 H new ATOM 594 N PRO A 38 -8.640 -1.878 -8.518 1.00 0.00 N ATOM 595 CA PRO A 38 -8.362 -0.501 -8.112 1.00 0.00 C ATOM 596 C PRO A 38 -9.682 0.258 -7.900 1.00 0.00 C ATOM 597 O PRO A 38 -9.937 1.296 -8.512 1.00 0.00 O ATOM 598 CB PRO A 38 -7.505 0.058 -9.255 1.00 0.00 C ATOM 599 CG PRO A 38 -8.076 -0.648 -10.484 1.00 0.00 C ATOM 600 CD PRO A 38 -8.434 -2.038 -9.953 1.00 0.00 C ATOM 0 HA PRO A 38 -7.836 -0.411 -7.162 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.593 1.142 -9.334 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.448 -0.166 -9.115 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.951 -0.129 -10.876 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.347 -0.701 -11.293 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.333 -2.421 -10.436 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.635 -2.751 -10.156 1.00 0.00 H new ATOM 608 N ASP A 39 -10.536 -0.250 -7.020 1.00 0.00 N ATOM 609 CA ASP A 39 -11.841 0.261 -6.628 1.00 0.00 C ATOM 610 C ASP A 39 -12.024 -0.164 -5.176 1.00 0.00 C ATOM 611 O ASP A 39 -11.677 -1.293 -4.825 1.00 0.00 O ATOM 612 CB ASP A 39 -12.952 -0.297 -7.517 1.00 0.00 C ATOM 613 CG ASP A 39 -14.300 0.356 -7.210 1.00 0.00 C ATOM 614 OD1 ASP A 39 -14.377 1.337 -6.438 1.00 0.00 O ATOM 615 OD2 ASP A 39 -15.317 -0.155 -7.724 1.00 0.00 O ATOM 0 H ASP A 39 -10.311 -1.109 -6.518 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.895 1.344 -6.739 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.698 -0.133 -8.564 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -13.028 -1.375 -7.372 1.00 0.00 H new ATOM 620 N GLN A 40 -12.510 0.739 -4.324 1.00 0.00 N ATOM 621 CA GLN A 40 -12.714 0.530 -2.889 1.00 0.00 C ATOM 622 C GLN A 40 -11.388 0.049 -2.272 1.00 0.00 C ATOM 623 O GLN A 40 -11.357 -0.867 -1.448 1.00 0.00 O ATOM 624 CB GLN A 40 -13.863 -0.471 -2.629 1.00 0.00 C ATOM 625 CG GLN A 40 -15.170 -0.214 -3.390 1.00 0.00 C ATOM 626 CD GLN A 40 -15.735 1.179 -3.146 1.00 0.00 C ATOM 627 OE1 GLN A 40 -16.319 1.469 -2.107 1.00 0.00 O ATOM 628 NE2 GLN A 40 -15.624 2.088 -4.101 1.00 0.00 N ATOM 0 H GLN A 40 -12.784 1.674 -4.626 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.009 1.467 -2.418 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.510 -1.471 -2.882 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -14.082 -0.471 -1.561 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.995 -0.347 -4.458 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.910 -0.958 -3.093 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.141 1.859 -4.969 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.022 3.018 -3.969 1.00 0.00 H new ATOM 637 N ASN A 41 -10.287 0.745 -2.583 1.00 0.00 N ATOM 638 CA ASN A 41 -8.959 0.402 -2.087 1.00 0.00 C ATOM 639 C ASN A 41 -8.121 1.660 -1.906 1.00 0.00 C ATOM 640 O ASN A 41 -8.136 2.528 -2.779 1.00 0.00 O ATOM 641 CB ASN A 41 -8.275 -0.550 -3.078 1.00 0.00 C ATOM 642 CG ASN A 41 -7.234 -1.377 -2.347 1.00 0.00 C ATOM 643 OD1 ASN A 41 -6.141 -0.906 -2.055 1.00 0.00 O ATOM 644 ND2 ASN A 41 -7.575 -2.601 -1.988 1.00 0.00 N ATOM 0 H ASN A 41 -10.298 1.565 -3.189 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.054 -0.091 -1.119 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.015 -1.203 -3.541 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.805 0.019 -3.880 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.923 -3.177 -1.456 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.491 -2.971 -2.243 1.00 0.00 H new ATOM 651 N ARG A 42 -7.417 1.797 -0.784 1.00 0.00 N ATOM 652 CA ARG A 42 -6.561 2.939 -0.476 1.00 0.00 C ATOM 653 C ARG A 42 -5.516 2.460 0.524 1.00 0.00 C ATOM 654 O ARG A 42 -5.873 1.816 1.511 1.00 0.00 O ATOM 655 CB ARG A 42 -7.416 4.100 0.071 1.00 0.00 C ATOM 656 CG ARG A 42 -6.550 5.258 0.566 1.00 0.00 C ATOM 657 CD ARG A 42 -7.325 6.534 0.930 1.00 0.00 C ATOM 658 NE ARG A 42 -7.806 7.250 -0.262 1.00 0.00 N ATOM 659 CZ ARG A 42 -7.113 8.134 -0.990 1.00 0.00 C ATOM 660 NH1 ARG A 42 -5.829 8.353 -0.744 1.00 0.00 N ATOM 661 NH2 ARG A 42 -7.700 8.778 -1.985 1.00 0.00 N ATOM 0 H ARG A 42 -7.427 1.096 -0.043 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.056 3.320 -1.364 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.088 4.456 -0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.041 3.738 0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.992 4.927 1.442 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.819 5.502 -0.205 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.174 6.274 1.563 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.683 7.193 1.514 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.761 7.054 -0.563 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.360 7.846 0.006 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.310 9.029 -1.305 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.682 8.601 -2.198 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.171 9.451 -2.539 1.00 0.00 H new ATOM 675 N LEU A 43 -4.250 2.798 0.294 1.00 0.00 N ATOM 676 CA LEU A 43 -3.104 2.428 1.118 1.00 0.00 C ATOM 677 C LEU A 43 -2.870 3.473 2.217 1.00 0.00 C ATOM 678 O LEU A 43 -2.921 4.674 1.946 1.00 0.00 O ATOM 679 CB LEU A 43 -1.896 2.327 0.168 1.00 0.00 C ATOM 680 CG LEU A 43 -0.609 1.743 0.775 1.00 0.00 C ATOM 681 CD1 LEU A 43 -0.744 0.258 1.121 1.00 0.00 C ATOM 682 CD2 LEU A 43 0.519 1.909 -0.250 1.00 0.00 C ATOM 0 H LEU A 43 -3.983 3.365 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.270 1.478 1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.181 1.714 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.675 3.324 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.400 2.277 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.193 -0.103 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.547 0.125 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.974 -0.307 0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.444 1.502 0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.260 1.376 -1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.656 2.967 -0.472 1.00 0.00 H new ATOM 694 N ILE A 44 -2.620 3.048 3.457 1.00 0.00 N ATOM 695 CA ILE A 44 -2.365 3.919 4.611 1.00 0.00 C ATOM 696 C ILE A 44 -1.172 3.341 5.388 1.00 0.00 C ATOM 697 O ILE A 44 -1.016 2.118 5.452 1.00 0.00 O ATOM 698 CB ILE A 44 -3.614 3.973 5.533 1.00 0.00 C ATOM 699 CG1 ILE A 44 -4.958 4.286 4.839 1.00 0.00 C ATOM 700 CG2 ILE A 44 -3.424 4.947 6.712 1.00 0.00 C ATOM 701 CD1 ILE A 44 -5.142 5.712 4.308 1.00 0.00 C ATOM 0 H ILE A 44 -2.588 2.057 3.696 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.147 4.932 4.272 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.688 2.946 5.890 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.080 3.594 4.006 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.762 4.079 5.545 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.323 4.951 7.329 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.573 4.629 7.313 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.242 5.951 6.329 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.124 5.804 3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.063 6.420 5.133 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.370 5.928 3.569 1.00 0.00 H new ATOM 713 N PHE A 45 -0.346 4.182 6.016 1.00 0.00 N ATOM 714 CA PHE A 45 0.796 3.739 6.818 1.00 0.00 C ATOM 715 C PHE A 45 0.833 4.621 8.059 1.00 0.00 C ATOM 716 O PHE A 45 1.046 5.828 7.936 1.00 0.00 O ATOM 717 CB PHE A 45 2.084 3.807 5.992 1.00 0.00 C ATOM 718 CG PHE A 45 3.351 3.340 6.691 1.00 0.00 C ATOM 719 CD1 PHE A 45 3.361 2.176 7.485 1.00 0.00 C ATOM 720 CD2 PHE A 45 4.545 4.066 6.522 1.00 0.00 C ATOM 721 CE1 PHE A 45 4.539 1.769 8.133 1.00 0.00 C ATOM 722 CE2 PHE A 45 5.733 3.643 7.146 1.00 0.00 C ATOM 723 CZ PHE A 45 5.726 2.503 7.967 1.00 0.00 C ATOM 0 H PHE A 45 -0.452 5.196 5.982 1.00 0.00 H new ATOM 0 HA PHE A 45 0.700 2.697 7.124 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.947 3.207 5.092 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.230 4.838 5.668 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.458 1.594 7.596 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.549 4.955 5.908 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.533 0.890 8.760 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.649 4.194 6.994 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.630 2.192 8.469 1.00 0.00 H new ATOM 733 N ALA A 46 0.622 4.031 9.243 1.00 0.00 N ATOM 734 CA ALA A 46 0.582 4.724 10.535 1.00 0.00 C ATOM 735 C ALA A 46 -0.331 5.963 10.455 1.00 0.00 C ATOM 736 O ALA A 46 0.011 7.048 10.933 1.00 0.00 O ATOM 737 CB ALA A 46 1.992 5.034 11.049 1.00 0.00 C ATOM 0 H ALA A 46 0.470 3.026 9.329 1.00 0.00 H new ATOM 0 HA ALA A 46 0.140 4.060 11.278 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.925 5.548 12.008 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.547 4.104 11.173 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.509 5.671 10.332 1.00 0.00 H new ATOM 743 N GLY A 47 -1.466 5.815 9.769 1.00 0.00 N ATOM 744 CA GLY A 47 -2.468 6.850 9.560 1.00 0.00 C ATOM 745 C GLY A 47 -2.158 7.830 8.423 1.00 0.00 C ATOM 746 O GLY A 47 -3.020 8.646 8.103 1.00 0.00 O ATOM 0 H GLY A 47 -1.718 4.931 9.327 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.426 6.372 9.356 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.584 7.415 10.485 1.00 0.00 H new ATOM 750 N LYS A 48 -0.956 7.831 7.837 1.00 0.00 N ATOM 751 CA LYS A 48 -0.606 8.729 6.739 1.00 0.00 C ATOM 752 C LYS A 48 -1.189 8.147 5.461 1.00 0.00 C ATOM 753 O LYS A 48 -1.022 6.954 5.200 1.00 0.00 O ATOM 754 CB LYS A 48 0.913 8.920 6.621 1.00 0.00 C ATOM 755 CG LYS A 48 1.312 9.872 5.472 1.00 0.00 C ATOM 756 CD LYS A 48 2.304 10.966 5.887 1.00 0.00 C ATOM 757 CE LYS A 48 1.614 12.033 6.753 1.00 0.00 C ATOM 758 NZ LYS A 48 2.515 13.160 7.067 1.00 0.00 N ATOM 0 H LYS A 48 -0.199 7.206 8.114 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.021 9.719 6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.299 9.313 7.562 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.385 7.950 6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.749 9.286 4.663 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.413 10.343 5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.131 10.522 6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.730 11.433 4.999 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.733 12.408 6.232 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.267 11.578 7.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.010 13.856 7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.344 12.807 7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.827 13.612 6.184 1.00 0.00 H new ATOM 772 N GLN A 49 -1.905 8.969 4.697 1.00 0.00 N ATOM 773 CA GLN A 49 -2.508 8.546 3.447 1.00 0.00 C ATOM 774 C GLN A 49 -1.390 8.424 2.415 1.00 0.00 C ATOM 775 O GLN A 49 -0.646 9.383 2.200 1.00 0.00 O ATOM 776 CB GLN A 49 -3.529 9.587 2.942 1.00 0.00 C ATOM 777 CG GLN A 49 -4.758 9.776 3.841 1.00 0.00 C ATOM 778 CD GLN A 49 -4.535 10.770 4.979 1.00 0.00 C ATOM 779 OE1 GLN A 49 -3.977 11.849 4.777 1.00 0.00 O ATOM 780 NE2 GLN A 49 -4.942 10.441 6.188 1.00 0.00 N ATOM 0 H GLN A 49 -2.080 9.946 4.932 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.027 7.600 3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.024 10.547 2.835 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.866 9.292 1.948 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.595 10.116 3.231 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.042 8.812 4.262 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.403 9.545 6.345 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.796 11.083 6.967 1.00 0.00 H new ATOM 789 N LEU A 50 -1.275 7.258 1.778 1.00 0.00 N ATOM 790 CA LEU A 50 -0.276 6.995 0.756 1.00 0.00 C ATOM 791 C LEU A 50 -1.042 6.792 -0.539 1.00 0.00 C ATOM 792 O LEU A 50 -2.086 6.134 -0.557 1.00 0.00 O ATOM 793 CB LEU A 50 0.501 5.712 1.077 1.00 0.00 C ATOM 794 CG LEU A 50 1.217 5.690 2.436 1.00 0.00 C ATOM 795 CD1 LEU A 50 1.972 4.366 2.546 1.00 0.00 C ATOM 796 CD2 LEU A 50 2.182 6.862 2.609 1.00 0.00 C ATOM 0 H LEU A 50 -1.885 6.462 1.964 1.00 0.00 H new ATOM 0 HA LEU A 50 0.438 7.817 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.191 4.871 1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.242 5.552 0.294 1.00 0.00 H new ATOM 0 HG LEU A 50 0.472 5.786 3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.491 4.322 3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.266 3.538 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.697 4.292 1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.661 6.798 3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.943 6.825 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.632 7.800 2.535 1.00 0.00 H new ATOM 808 N GLU A 51 -0.524 7.300 -1.642 1.00 0.00 N ATOM 809 CA GLU A 51 -1.159 7.187 -2.941 1.00 0.00 C ATOM 810 C GLU A 51 -0.152 7.483 -4.047 1.00 0.00 C ATOM 811 O GLU A 51 0.999 7.844 -3.769 1.00 0.00 O ATOM 812 CB GLU A 51 -2.422 8.050 -2.996 1.00 0.00 C ATOM 813 CG GLU A 51 -2.195 9.520 -2.627 1.00 0.00 C ATOM 814 CD GLU A 51 -3.489 10.324 -2.539 1.00 0.00 C ATOM 815 OE1 GLU A 51 -3.410 11.509 -2.147 1.00 0.00 O ATOM 816 OE2 GLU A 51 -4.592 9.765 -2.747 1.00 0.00 O ATOM 0 H GLU A 51 0.360 7.809 -1.661 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.494 6.163 -3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.839 8.000 -4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.166 7.628 -2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.677 9.572 -1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.540 9.977 -3.369 1.00 0.00 H new ATOM 823 N ASP A 52 -0.621 7.412 -5.292 1.00 0.00 N ATOM 824 CA ASP A 52 0.174 7.587 -6.495 1.00 0.00 C ATOM 825 C ASP A 52 0.624 9.022 -6.699 1.00 0.00 C ATOM 826 O ASP A 52 0.131 9.959 -6.064 1.00 0.00 O ATOM 827 CB ASP A 52 -0.631 7.106 -7.715 1.00 0.00 C ATOM 828 CG ASP A 52 -1.909 7.907 -7.986 1.00 0.00 C ATOM 829 OD1 ASP A 52 -3.004 7.390 -7.660 1.00 0.00 O ATOM 830 OD2 ASP A 52 -1.850 9.036 -8.513 1.00 0.00 O ATOM 0 H ASP A 52 -1.603 7.224 -5.492 1.00 0.00 H new ATOM 0 HA ASP A 52 1.078 6.989 -6.379 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.007 7.153 -8.598 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.897 6.059 -7.570 1.00 0.00 H new ATOM 835 N GLY A 53 1.666 9.121 -7.523 1.00 0.00 N ATOM 836 CA GLY A 53 2.381 10.316 -7.922 1.00 0.00 C ATOM 837 C GLY A 53 3.696 10.425 -7.146 1.00 0.00 C ATOM 838 O GLY A 53 4.659 10.987 -7.668 1.00 0.00 O ATOM 0 H GLY A 53 2.060 8.289 -7.963 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.583 10.288 -8.993 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.766 11.196 -7.736 1.00 0.00 H new ATOM 842 N ARG A 54 3.754 9.898 -5.917 1.00 0.00 N ATOM 843 CA ARG A 54 4.918 9.907 -5.025 1.00 0.00 C ATOM 844 C ARG A 54 5.549 8.519 -4.889 1.00 0.00 C ATOM 845 O ARG A 54 4.933 7.517 -5.268 1.00 0.00 O ATOM 846 CB ARG A 54 4.470 10.447 -3.664 1.00 0.00 C ATOM 847 CG ARG A 54 4.263 11.968 -3.630 1.00 0.00 C ATOM 848 CD ARG A 54 3.952 12.355 -2.181 1.00 0.00 C ATOM 849 NE ARG A 54 3.058 13.514 -2.081 1.00 0.00 N ATOM 850 CZ ARG A 54 2.614 14.038 -0.934 1.00 0.00 C ATOM 851 NH1 ARG A 54 2.895 13.452 0.225 1.00 0.00 N ATOM 852 NH2 ARG A 54 1.865 15.130 -0.956 1.00 0.00 N ATOM 0 H ARG A 54 2.950 9.431 -5.498 1.00 0.00 H new ATOM 0 HA ARG A 54 5.690 10.549 -5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.538 9.958 -3.380 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.214 10.176 -2.915 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.156 12.485 -3.982 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.445 12.259 -4.289 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.496 11.505 -1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.884 12.575 -1.661 1.00 0.00 H new ATOM 0 HE ARG A 54 2.753 13.952 -2.950 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.452 12.598 0.243 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.554 13.856 1.097 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.629 15.568 -1.846 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.524 15.533 -0.083 1.00 0.00 H new ATOM 866 N THR A 55 6.730 8.473 -4.275 1.00 0.00 N ATOM 867 CA THR A 55 7.534 7.286 -4.014 1.00 0.00 C ATOM 868 C THR A 55 7.715 7.065 -2.512 1.00 0.00 C ATOM 869 O THR A 55 7.423 7.953 -1.706 1.00 0.00 O ATOM 870 CB THR A 55 8.910 7.440 -4.693 1.00 0.00 C ATOM 871 OG1 THR A 55 9.621 8.572 -4.203 1.00 0.00 O ATOM 872 CG2 THR A 55 8.826 7.537 -6.216 1.00 0.00 C ATOM 0 H THR A 55 7.177 9.320 -3.925 1.00 0.00 H new ATOM 0 HA THR A 55 7.017 6.418 -4.423 1.00 0.00 H new ATOM 0 HB THR A 55 9.449 6.527 -4.438 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.075 9.377 -4.320 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.829 7.644 -6.630 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.364 6.633 -6.613 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.225 8.403 -6.493 1.00 0.00 H new ATOM 880 N LEU A 56 8.208 5.884 -2.119 1.00 0.00 N ATOM 881 CA LEU A 56 8.464 5.546 -0.716 1.00 0.00 C ATOM 882 C LEU A 56 9.326 6.612 -0.041 1.00 0.00 C ATOM 883 O LEU A 56 9.075 6.960 1.113 1.00 0.00 O ATOM 884 CB LEU A 56 9.133 4.171 -0.560 1.00 0.00 C ATOM 885 CG LEU A 56 8.132 3.006 -0.484 1.00 0.00 C ATOM 886 CD1 LEU A 56 7.534 2.691 -1.851 1.00 0.00 C ATOM 887 CD2 LEU A 56 8.817 1.761 0.073 1.00 0.00 C ATOM 0 H LEU A 56 8.441 5.134 -2.769 1.00 0.00 H new ATOM 0 HA LEU A 56 7.491 5.506 -0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.807 4.006 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.744 4.174 0.342 1.00 0.00 H new ATOM 0 HG LEU A 56 7.323 3.309 0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.831 1.863 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.012 3.569 -2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.331 2.416 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.099 0.942 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.645 1.479 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.197 1.971 1.073 1.00 0.00 H new ATOM 899 N SER A 57 10.353 7.100 -0.739 1.00 0.00 N ATOM 900 CA SER A 57 11.285 8.111 -0.272 1.00 0.00 C ATOM 901 C SER A 57 10.544 9.396 0.098 1.00 0.00 C ATOM 902 O SER A 57 10.839 9.981 1.140 1.00 0.00 O ATOM 903 CB SER A 57 12.335 8.349 -1.371 1.00 0.00 C ATOM 904 OG SER A 57 13.366 9.221 -0.952 1.00 0.00 O ATOM 0 H SER A 57 10.561 6.783 -1.686 1.00 0.00 H new ATOM 0 HA SER A 57 11.790 7.771 0.632 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.769 7.394 -1.668 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.847 8.765 -2.252 1.00 0.00 H new ATOM 0 HG SER A 57 14.009 9.341 -1.681 1.00 0.00 H new ATOM 910 N ASP A 58 9.576 9.838 -0.715 1.00 0.00 N ATOM 911 CA ASP A 58 8.812 11.060 -0.453 1.00 0.00 C ATOM 912 C ASP A 58 8.085 10.932 0.883 1.00 0.00 C ATOM 913 O ASP A 58 8.173 11.822 1.736 1.00 0.00 O ATOM 914 CB ASP A 58 7.778 11.354 -1.554 1.00 0.00 C ATOM 915 CG ASP A 58 8.388 11.657 -2.917 1.00 0.00 C ATOM 916 OD1 ASP A 58 8.241 10.816 -3.831 1.00 0.00 O ATOM 917 OD2 ASP A 58 8.992 12.748 -3.070 1.00 0.00 O ATOM 0 H ASP A 58 9.302 9.357 -1.572 1.00 0.00 H new ATOM 0 HA ASP A 58 9.524 11.885 -0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.111 10.497 -1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.166 12.202 -1.245 1.00 0.00 H new ATOM 922 N TYR A 59 7.421 9.799 1.111 1.00 0.00 N ATOM 923 CA TYR A 59 6.662 9.522 2.327 1.00 0.00 C ATOM 924 C TYR A 59 7.535 9.035 3.497 1.00 0.00 C ATOM 925 O TYR A 59 7.019 8.915 4.612 1.00 0.00 O ATOM 926 CB TYR A 59 5.614 8.451 2.000 1.00 0.00 C ATOM 927 CG TYR A 59 4.514 8.857 1.034 1.00 0.00 C ATOM 928 CD1 TYR A 59 3.493 9.734 1.449 1.00 0.00 C ATOM 929 CD2 TYR A 59 4.451 8.272 -0.245 1.00 0.00 C ATOM 930 CE1 TYR A 59 2.405 10.008 0.598 1.00 0.00 C ATOM 931 CE2 TYR A 59 3.375 8.552 -1.101 1.00 0.00 C ATOM 932 CZ TYR A 59 2.340 9.414 -0.681 1.00 0.00 C ATOM 933 OH TYR A 59 1.281 9.668 -1.494 1.00 0.00 O ATOM 0 H TYR A 59 7.396 9.032 0.439 1.00 0.00 H new ATOM 0 HA TYR A 59 6.204 10.457 2.651 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.129 7.584 1.587 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.149 8.131 2.933 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.545 10.198 2.423 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.235 7.604 -0.569 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.619 10.673 0.924 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.339 8.106 -2.084 1.00 0.00 H new ATOM 0 HH TYR A 59 1.392 9.182 -2.338 1.00 0.00 H new ATOM 943 N ASN A 60 8.842 8.832 3.290 1.00 0.00 N ATOM 944 CA ASN A 60 9.818 8.342 4.271 1.00 0.00 C ATOM 945 C ASN A 60 9.406 6.962 4.816 1.00 0.00 C ATOM 946 O ASN A 60 9.393 6.707 6.023 1.00 0.00 O ATOM 947 CB ASN A 60 10.123 9.387 5.358 1.00 0.00 C ATOM 948 CG ASN A 60 11.117 8.875 6.400 1.00 0.00 C ATOM 949 OD1 ASN A 60 12.095 8.204 6.083 1.00 0.00 O ATOM 950 ND2 ASN A 60 10.899 9.178 7.671 1.00 0.00 N ATOM 0 H ASN A 60 9.271 9.016 2.383 1.00 0.00 H new ATOM 0 HA ASN A 60 10.770 8.190 3.762 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.523 10.287 4.890 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.195 9.671 5.855 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.545 8.854 8.391 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.085 9.736 7.930 1.00 0.00 H new ATOM 957 N ILE A 61 9.043 6.054 3.911 1.00 0.00 N ATOM 958 CA ILE A 61 8.643 4.691 4.248 1.00 0.00 C ATOM 959 C ILE A 61 9.952 3.905 4.311 1.00 0.00 C ATOM 960 O ILE A 61 10.734 3.923 3.356 1.00 0.00 O ATOM 961 CB ILE A 61 7.659 4.141 3.191 1.00 0.00 C ATOM 962 CG1 ILE A 61 6.365 4.983 3.204 1.00 0.00 C ATOM 963 CG2 ILE A 61 7.327 2.657 3.442 1.00 0.00 C ATOM 964 CD1 ILE A 61 5.408 4.697 2.046 1.00 0.00 C ATOM 0 H ILE A 61 9.019 6.248 2.910 1.00 0.00 H new ATOM 0 HA ILE A 61 8.108 4.622 5.195 1.00 0.00 H new ATOM 0 HB ILE A 61 8.136 4.211 2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.841 4.806 4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.634 6.039 3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.633 2.305 2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.243 2.067 3.399 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.871 2.548 4.426 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.527 5.333 2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.909 4.903 1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.104 3.651 2.075 1.00 0.00 H new ATOM 976 N GLN A 62 10.232 3.269 5.449 1.00 0.00 N ATOM 977 CA GLN A 62 11.449 2.486 5.640 1.00 0.00 C ATOM 978 C GLN A 62 11.203 1.017 5.305 1.00 0.00 C ATOM 979 O GLN A 62 10.070 0.606 5.042 1.00 0.00 O ATOM 980 CB GLN A 62 11.992 2.684 7.068 1.00 0.00 C ATOM 981 CG GLN A 62 12.481 4.124 7.307 1.00 0.00 C ATOM 982 CD GLN A 62 13.550 4.552 6.298 1.00 0.00 C ATOM 983 OE1 GLN A 62 14.427 3.774 5.922 1.00 0.00 O ATOM 984 NE2 GLN A 62 13.498 5.779 5.805 1.00 0.00 N ATOM 0 H GLN A 62 9.619 3.283 6.264 1.00 0.00 H new ATOM 0 HA GLN A 62 12.216 2.841 4.952 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.211 2.442 7.789 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.813 1.989 7.243 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.634 4.807 7.247 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.885 4.205 8.316 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.771 6.423 6.117 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.185 6.080 5.113 1.00 0.00 H new ATOM 993 N LYS A 63 12.283 0.236 5.247 1.00 0.00 N ATOM 994 CA LYS A 63 12.219 -1.183 4.938 1.00 0.00 C ATOM 995 C LYS A 63 11.554 -1.963 6.064 1.00 0.00 C ATOM 996 O LYS A 63 11.503 -1.512 7.212 1.00 0.00 O ATOM 997 CB LYS A 63 13.596 -1.732 4.555 1.00 0.00 C ATOM 998 CG LYS A 63 14.577 -1.904 5.721 1.00 0.00 C ATOM 999 CD LYS A 63 15.899 -2.445 5.171 1.00 0.00 C ATOM 1000 CE LYS A 63 16.786 -3.007 6.280 1.00 0.00 C ATOM 1001 NZ LYS A 63 18.129 -3.347 5.779 1.00 0.00 N ATOM 0 H LYS A 63 13.229 0.577 5.415 1.00 0.00 H new ATOM 0 HA LYS A 63 11.586 -1.315 4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.462 -2.698 4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.044 -1.064 3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.738 -0.950 6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.167 -2.590 6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.696 -3.225 4.438 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.429 -1.648 4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.871 -2.276 7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.320 -3.896 6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.705 -3.726 6.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.049 -4.062 5.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.583 -2.493 5.396 1.00 0.00 H new ATOM 1015 N GLU A 64 11.034 -3.128 5.703 1.00 0.00 N ATOM 1016 CA GLU A 64 10.335 -4.077 6.544 1.00 0.00 C ATOM 1017 C GLU A 64 9.185 -3.389 7.293 1.00 0.00 C ATOM 1018 O GLU A 64 8.962 -3.630 8.480 1.00 0.00 O ATOM 1019 CB GLU A 64 11.338 -4.881 7.396 1.00 0.00 C ATOM 1020 CG GLU A 64 12.113 -5.927 6.570 1.00 0.00 C ATOM 1021 CD GLU A 64 13.205 -5.357 5.650 1.00 0.00 C ATOM 1022 OE1 GLU A 64 12.977 -5.152 4.434 1.00 0.00 O ATOM 1023 OE2 GLU A 64 14.350 -5.196 6.124 1.00 0.00 O ATOM 0 H GLU A 64 11.097 -3.455 4.739 1.00 0.00 H new ATOM 0 HA GLU A 64 9.834 -4.837 5.944 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.045 -4.195 7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.803 -5.384 8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.573 -6.639 7.255 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.402 -6.485 5.961 1.00 0.00 H new ATOM 1030 N SER A 65 8.492 -2.454 6.634 1.00 0.00 N ATOM 1031 CA SER A 65 7.353 -1.717 7.173 1.00 0.00 C ATOM 1032 C SER A 65 6.059 -2.511 6.924 1.00 0.00 C ATOM 1033 O SER A 65 6.040 -3.405 6.082 1.00 0.00 O ATOM 1034 CB SER A 65 7.309 -0.311 6.558 1.00 0.00 C ATOM 1035 OG SER A 65 7.588 -0.322 5.175 1.00 0.00 O ATOM 0 H SER A 65 8.720 -2.183 5.677 1.00 0.00 H new ATOM 0 HA SER A 65 7.457 -1.595 8.251 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.324 0.125 6.724 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.030 0.328 7.067 1.00 0.00 H new ATOM 0 HG SER A 65 8.555 -0.240 5.036 1.00 0.00 H new ATOM 1041 N THR A 66 4.975 -2.208 7.647 1.00 0.00 N ATOM 1042 CA THR A 66 3.679 -2.867 7.492 1.00 0.00 C ATOM 1043 C THR A 66 2.622 -1.782 7.265 1.00 0.00 C ATOM 1044 O THR A 66 2.318 -0.972 8.148 1.00 0.00 O ATOM 1045 CB THR A 66 3.369 -3.824 8.652 1.00 0.00 C ATOM 1046 OG1 THR A 66 4.337 -4.851 8.756 1.00 0.00 O ATOM 1047 CG2 THR A 66 2.038 -4.543 8.416 1.00 0.00 C ATOM 0 H THR A 66 4.977 -1.486 8.367 1.00 0.00 H new ATOM 0 HA THR A 66 3.686 -3.522 6.621 1.00 0.00 H new ATOM 0 HB THR A 66 3.351 -3.209 9.551 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.109 -5.440 9.505 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.836 -5.217 9.249 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.236 -3.809 8.340 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.093 -5.116 7.491 1.00 0.00 H new ATOM 1055 N LEU A 67 2.108 -1.745 6.038 1.00 0.00 N ATOM 1056 CA LEU A 67 1.104 -0.812 5.556 1.00 0.00 C ATOM 1057 C LEU A 67 -0.274 -1.481 5.637 1.00 0.00 C ATOM 1058 O LEU A 67 -0.367 -2.705 5.735 1.00 0.00 O ATOM 1059 CB LEU A 67 1.452 -0.419 4.108 1.00 0.00 C ATOM 1060 CG LEU A 67 2.785 0.348 3.911 1.00 0.00 C ATOM 1061 CD1 LEU A 67 4.072 -0.464 4.130 1.00 0.00 C ATOM 1062 CD2 LEU A 67 2.830 0.880 2.480 1.00 0.00 C ATOM 0 H LEU A 67 2.400 -2.404 5.316 1.00 0.00 H new ATOM 0 HA LEU A 67 1.084 0.091 6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.486 -1.326 3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.642 0.195 3.715 1.00 0.00 H new ATOM 0 HG LEU A 67 2.777 1.123 4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.939 0.176 3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.092 -0.846 5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.099 -1.299 3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.762 1.423 2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.773 0.046 1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.987 1.551 2.314 1.00 0.00 H new ATOM 1074 N HIS A 68 -1.352 -0.699 5.660 1.00 0.00 N ATOM 1075 CA HIS A 68 -2.737 -1.168 5.728 1.00 0.00 C ATOM 1076 C HIS A 68 -3.552 -0.709 4.520 1.00 0.00 C ATOM 1077 O HIS A 68 -3.160 0.237 3.836 1.00 0.00 O ATOM 1078 CB HIS A 68 -3.384 -0.650 7.016 1.00 0.00 C ATOM 1079 CG HIS A 68 -2.851 -1.303 8.261 1.00 0.00 C ATOM 1080 ND1 HIS A 68 -1.822 -0.841 9.052 1.00 0.00 N ATOM 1081 CD2 HIS A 68 -3.398 -2.395 8.879 1.00 0.00 C ATOM 1082 CE1 HIS A 68 -1.782 -1.611 10.148 1.00 0.00 C ATOM 1083 NE2 HIS A 68 -2.692 -2.599 10.069 1.00 0.00 N ATOM 0 H HIS A 68 -1.283 0.318 5.631 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.726 -2.258 5.724 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.227 0.426 7.084 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.461 -0.812 6.963 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.223 -2.990 8.515 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.111 -1.459 10.981 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -2.838 -3.349 10.744 1.00 0.00 H new ATOM 1091 N LEU A 69 -4.710 -1.340 4.297 1.00 0.00 N ATOM 1092 CA LEU A 69 -5.645 -1.025 3.220 1.00 0.00 C ATOM 1093 C LEU A 69 -6.976 -0.641 3.865 1.00 0.00 C ATOM 1094 O LEU A 69 -7.436 -1.311 4.797 1.00 0.00 O ATOM 1095 CB LEU A 69 -5.846 -2.194 2.239 1.00 0.00 C ATOM 1096 CG LEU A 69 -4.588 -2.668 1.489 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -4.967 -3.720 0.440 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -3.854 -1.532 0.771 1.00 0.00 C ATOM 0 H LEU A 69 -5.030 -2.110 4.884 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.236 -0.206 2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.256 -3.040 2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.595 -1.901 1.503 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.922 -3.082 2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.071 -4.049 -0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.433 -4.573 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.667 -3.286 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.977 -1.930 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.520 -1.073 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.542 -0.783 1.499 1.00 0.00 H new ATOM 1110 N VAL A 70 -7.578 0.455 3.406 1.00 0.00 N ATOM 1111 CA VAL A 70 -8.852 0.967 3.904 1.00 0.00 C ATOM 1112 C VAL A 70 -9.690 1.487 2.735 1.00 0.00 C ATOM 1113 O VAL A 70 -9.231 1.536 1.587 1.00 0.00 O ATOM 1114 CB VAL A 70 -8.624 2.083 4.960 1.00 0.00 C ATOM 1115 CG1 VAL A 70 -7.540 1.744 6.000 1.00 0.00 C ATOM 1116 CG2 VAL A 70 -8.265 3.445 4.335 1.00 0.00 C ATOM 0 H VAL A 70 -7.183 1.025 2.659 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.392 0.155 4.392 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.590 2.150 5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.439 2.571 6.703 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.824 0.841 6.541 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.589 1.579 5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.119 4.181 5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.347 3.348 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.075 3.770 3.682 1.00 0.00 H new ATOM 1126 N LEU A 71 -10.960 1.777 2.991 1.00 0.00 N ATOM 1127 CA LEU A 71 -11.896 2.348 2.037 1.00 0.00 C ATOM 1128 C LEU A 71 -12.795 3.321 2.806 1.00 0.00 C ATOM 1129 O LEU A 71 -12.559 3.612 3.984 1.00 0.00 O ATOM 1130 CB LEU A 71 -12.666 1.262 1.263 1.00 0.00 C ATOM 1131 CG LEU A 71 -13.710 0.496 2.108 1.00 0.00 C ATOM 1132 CD1 LEU A 71 -15.045 0.437 1.366 1.00 0.00 C ATOM 1133 CD2 LEU A 71 -13.224 -0.918 2.428 1.00 0.00 C ATOM 0 H LEU A 71 -11.380 1.613 3.906 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.369 2.898 1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.171 1.726 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.951 0.547 0.855 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.847 1.031 3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.773 -0.105 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.405 1.450 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.910 -0.076 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.976 -1.435 3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.057 -1.464 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.291 -0.864 2.990 1.00 0.00 H new