USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 410 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 47 CYS SG : rot -170:sc= -3.09 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 139:sc= -1.18! (180deg=-5.92!) USER MOD Single : A 1 ARG N :NH3+ -147:sc= 0.0454 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.3!) USER MOD Single : A 11 GLN : amide:sc= -0.71 K(o=-0.71,f=-5.1!) USER MOD Single : A 12 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.377) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -1 K(o=-1,f=-2.5!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 98:sc= 1.07 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc=-0.00293 X(o=-0.0029,f=0) USER MOD Single : A 40 SER OG : rot 60:sc= 0.728 USER MOD Single : A 44 HIS :FLIP no HD1:sc= -1.19 F(o=-1.9,f=-1.2) USER MOD Single : A 46 ASN : amide:sc= -12.7! C(o=-13!,f=-15!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 3.482 -10.542 0.954 1.00 0.00 N ATOM 2 CA ARG A 1 3.194 -9.218 1.476 1.00 0.00 C ATOM 3 C ARG A 1 3.771 -9.065 2.884 1.00 0.00 C ATOM 4 O ARG A 1 4.788 -9.675 3.213 1.00 0.00 O ATOM 5 CB ARG A 1 1.686 -8.958 1.519 1.00 0.00 C ATOM 6 CG ARG A 1 1.370 -7.504 1.164 1.00 0.00 C ATOM 7 CD ARG A 1 -0.077 -7.156 1.513 1.00 0.00 C ATOM 8 NE ARG A 1 -0.761 -6.582 0.332 1.00 0.00 N ATOM 9 CZ ARG A 1 -0.412 -5.427 -0.250 1.00 0.00 C ATOM 10 NH1 ARG A 1 0.612 -4.714 0.237 1.00 0.00 N ATOM 11 NH2 ARG A 1 -1.089 -4.984 -1.319 1.00 0.00 N ATOM 0 H1 ARG A 1 3.617 -10.487 -0.076 1.00 0.00 H new ATOM 0 H2 ARG A 1 4.348 -10.909 1.398 1.00 0.00 H new ATOM 0 H3 ARG A 1 2.687 -11.179 1.165 1.00 0.00 H new ATOM 0 HA ARG A 1 3.658 -8.491 0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 1 1.178 -9.625 0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 1 1.302 -9.185 2.514 1.00 0.00 H new ATOM 0 HG2 ARG A 1 2.047 -6.840 1.701 1.00 0.00 H new ATOM 0 HG3 ARG A 1 1.540 -7.341 0.100 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -0.603 -8.049 1.849 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -0.099 -6.444 2.338 1.00 0.00 H new ATOM 0 HE ARG A 1 -1.547 -7.098 -0.063 1.00 0.00 H new ATOM 0 HH11 ARG A 1 1.126 -5.050 1.051 1.00 0.00 H new ATOM 0 HH12 ARG A 1 0.878 -3.835 -0.206 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -1.870 -5.526 -1.689 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -0.823 -4.105 -1.762 1.00 0.00 H new ATOM 22 N ILE A 2 3.098 -8.248 3.680 1.00 0.00 N ATOM 23 CA ILE A 2 3.531 -8.007 5.047 1.00 0.00 C ATOM 24 C ILE A 2 2.713 -8.884 5.997 1.00 0.00 C ATOM 25 O ILE A 2 2.042 -8.374 6.894 1.00 0.00 O ATOM 26 CB ILE A 2 3.464 -6.514 5.375 1.00 0.00 C ATOM 27 CG1 ILE A 2 4.301 -5.698 4.388 1.00 0.00 C ATOM 28 CG2 ILE A 2 3.872 -6.254 6.826 1.00 0.00 C ATOM 29 CD1 ILE A 2 3.600 -5.588 3.033 1.00 0.00 C ATOM 0 H ILE A 2 2.255 -7.744 3.405 1.00 0.00 H new ATOM 0 HA ILE A 2 4.576 -8.289 5.172 1.00 0.00 H new ATOM 0 HB ILE A 2 2.430 -6.186 5.268 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.477 -4.701 4.792 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.277 -6.166 4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.816 -5.185 7.034 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.198 -6.790 7.495 1.00 0.00 H new ATOM 0 HG23 ILE A 2 4.893 -6.601 6.985 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.217 -5.003 2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.448 -6.585 2.620 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.635 -5.097 3.161 1.00 0.00 H new ATOM 40 N TYR A 3 2.795 -10.186 5.770 1.00 0.00 N ATOM 41 CA TYR A 3 2.071 -11.138 6.596 1.00 0.00 C ATOM 42 C TYR A 3 2.883 -11.516 7.837 1.00 0.00 C ATOM 43 O TYR A 3 2.316 -11.822 8.884 1.00 0.00 O ATOM 44 CB TYR A 3 1.875 -12.384 5.730 1.00 0.00 C ATOM 45 CG TYR A 3 1.383 -13.608 6.504 1.00 0.00 C ATOM 46 CD1 TYR A 3 0.072 -13.673 6.932 1.00 0.00 C ATOM 47 CD2 TYR A 3 2.248 -14.648 6.774 1.00 0.00 C ATOM 48 CE1 TYR A 3 -0.392 -14.825 7.660 1.00 0.00 C ATOM 49 CE2 TYR A 3 1.786 -15.800 7.503 1.00 0.00 C ATOM 50 CZ TYR A 3 0.488 -15.832 7.910 1.00 0.00 C ATOM 51 OH TYR A 3 0.050 -16.920 8.598 1.00 0.00 O ATOM 0 H TYR A 3 3.352 -10.605 5.025 1.00 0.00 H new ATOM 0 HA TYR A 3 1.127 -10.712 6.935 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.161 -12.156 4.939 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.820 -12.629 5.245 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -0.606 -12.859 6.721 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.273 -14.598 6.438 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.415 -14.888 8.000 1.00 0.00 H new ATOM 0 HE2 TYR A 3 2.454 -16.620 7.722 1.00 0.00 H new ATOM 0 HH TYR A 3 0.786 -17.559 8.702 1.00 0.00 H new ATOM 60 N LYS A 4 4.198 -11.482 7.677 1.00 0.00 N ATOM 61 CA LYS A 4 5.094 -11.818 8.771 1.00 0.00 C ATOM 62 C LYS A 4 5.338 -10.572 9.624 1.00 0.00 C ATOM 63 O LYS A 4 6.454 -10.055 9.668 1.00 0.00 O ATOM 64 CB LYS A 4 6.376 -12.459 8.237 1.00 0.00 C ATOM 65 CG LYS A 4 6.056 -13.618 7.291 1.00 0.00 C ATOM 66 CD LYS A 4 7.336 -14.318 6.829 1.00 0.00 C ATOM 67 CE LYS A 4 7.051 -15.761 6.408 1.00 0.00 C ATOM 68 NZ LYS A 4 7.527 -16.002 5.026 1.00 0.00 N ATOM 0 H LYS A 4 4.665 -11.227 6.807 1.00 0.00 H new ATOM 0 HA LYS A 4 4.639 -12.566 9.420 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.970 -11.710 7.713 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.980 -12.820 9.069 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.407 -14.334 7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.508 -13.245 6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.772 -13.771 5.993 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.071 -14.309 7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.544 -16.450 7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.981 -15.960 6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.326 -16.986 4.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.038 -15.357 4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.552 -15.832 4.977 1.00 0.00 H new ATOM 78 N GLY A 5 4.278 -10.126 10.281 1.00 0.00 N ATOM 79 CA GLY A 5 4.364 -8.950 11.131 1.00 0.00 C ATOM 80 C GLY A 5 4.217 -9.328 12.606 1.00 0.00 C ATOM 81 O GLY A 5 3.873 -8.486 13.435 1.00 0.00 O ATOM 0 H GLY A 5 3.355 -10.558 10.242 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.321 -8.452 10.973 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.585 -8.239 10.855 1.00 0.00 H new ATOM 85 N VAL A 6 4.484 -10.594 12.889 1.00 0.00 N ATOM 86 CA VAL A 6 4.386 -11.094 14.250 1.00 0.00 C ATOM 87 C VAL A 6 5.790 -11.390 14.783 1.00 0.00 C ATOM 88 O VAL A 6 6.037 -11.286 15.983 1.00 0.00 O ATOM 89 CB VAL A 6 3.460 -12.312 14.295 1.00 0.00 C ATOM 90 CG1 VAL A 6 2.012 -11.890 14.554 1.00 0.00 C ATOM 91 CG2 VAL A 6 3.572 -13.133 13.009 1.00 0.00 C ATOM 0 H VAL A 6 4.768 -11.289 12.199 1.00 0.00 H new ATOM 0 HA VAL A 6 3.943 -10.341 14.902 1.00 0.00 H new ATOM 0 HB VAL A 6 3.777 -12.945 15.124 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.375 -12.774 14.581 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.950 -11.369 15.509 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.678 -11.226 13.756 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.904 -13.992 13.067 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.293 -12.514 12.156 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.598 -13.479 12.886 1.00 0.00 H new ATOM 101 N ILE A 7 6.672 -11.751 13.864 1.00 0.00 N ATOM 102 CA ILE A 7 8.044 -12.063 14.226 1.00 0.00 C ATOM 103 C ILE A 7 8.839 -10.763 14.366 1.00 0.00 C ATOM 104 O ILE A 7 9.838 -10.715 15.082 1.00 0.00 O ATOM 105 CB ILE A 7 8.652 -13.050 13.227 1.00 0.00 C ATOM 106 CG1 ILE A 7 9.141 -12.326 11.971 1.00 0.00 C ATOM 107 CG2 ILE A 7 7.665 -14.171 12.894 1.00 0.00 C ATOM 108 CD1 ILE A 7 7.964 -11.889 11.096 1.00 0.00 C ATOM 0 H ILE A 7 6.464 -11.835 12.869 1.00 0.00 H new ATOM 0 HA ILE A 7 8.077 -12.564 15.194 1.00 0.00 H new ATOM 0 HB ILE A 7 9.522 -13.514 13.691 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.730 -11.454 12.256 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.798 -12.983 11.401 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.122 -14.858 12.182 1.00 0.00 H new ATOM 0 HG22 ILE A 7 7.407 -14.711 13.805 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.763 -13.743 12.457 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.340 -11.377 10.210 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.391 -12.765 10.793 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.322 -11.213 11.661 1.00 0.00 H new ATOM 119 N GLN A 8 8.363 -9.740 13.671 1.00 0.00 N ATOM 120 CA GLN A 8 9.017 -8.442 13.709 1.00 0.00 C ATOM 121 C GLN A 8 8.724 -7.739 15.036 1.00 0.00 C ATOM 122 O GLN A 8 9.615 -7.139 15.635 1.00 0.00 O ATOM 123 CB GLN A 8 8.586 -7.577 12.524 1.00 0.00 C ATOM 124 CG GLN A 8 9.742 -6.704 12.033 1.00 0.00 C ATOM 125 CD GLN A 8 9.256 -5.298 11.677 1.00 0.00 C ATOM 126 OE1 GLN A 8 8.078 -5.053 11.478 1.00 0.00 O ATOM 127 NE2 GLN A 8 10.227 -4.390 11.609 1.00 0.00 N ATOM 0 H GLN A 8 7.533 -9.783 13.079 1.00 0.00 H new ATOM 0 HA GLN A 8 10.093 -8.596 13.632 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.237 -8.215 11.712 1.00 0.00 H new ATOM 0 HB3 GLN A 8 7.747 -6.945 12.816 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.509 -6.643 12.805 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.204 -7.164 11.160 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.194 -4.663 11.787 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.004 -3.422 11.379 1.00 0.00 H new ATOM 134 N ALA A 9 7.471 -7.837 15.457 1.00 0.00 N ATOM 135 CA ALA A 9 7.049 -7.217 16.702 1.00 0.00 C ATOM 136 C ALA A 9 7.612 -8.015 17.880 1.00 0.00 C ATOM 137 O ALA A 9 8.244 -7.450 18.771 1.00 0.00 O ATOM 138 CB ALA A 9 5.522 -7.127 16.736 1.00 0.00 C ATOM 0 H ALA A 9 6.735 -8.336 14.958 1.00 0.00 H new ATOM 0 HA ALA A 9 7.437 -6.201 16.776 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.206 -6.662 17.670 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.174 -6.526 15.895 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.097 -8.128 16.667 1.00 0.00 H new ATOM 144 N ILE A 10 7.363 -9.316 17.845 1.00 0.00 N ATOM 145 CA ILE A 10 7.837 -10.197 18.899 1.00 0.00 C ATOM 146 C ILE A 10 9.344 -10.003 19.079 1.00 0.00 C ATOM 147 O ILE A 10 9.887 -10.293 20.144 1.00 0.00 O ATOM 148 CB ILE A 10 7.434 -11.644 18.609 1.00 0.00 C ATOM 149 CG1 ILE A 10 5.914 -11.808 18.650 1.00 0.00 C ATOM 150 CG2 ILE A 10 8.141 -12.612 19.560 1.00 0.00 C ATOM 151 CD1 ILE A 10 5.490 -13.147 18.043 1.00 0.00 C ATOM 0 H ILE A 10 6.839 -9.781 17.104 1.00 0.00 H new ATOM 0 HA ILE A 10 7.366 -9.943 19.849 1.00 0.00 H new ATOM 0 HB ILE A 10 7.758 -11.892 17.598 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.566 -11.746 19.681 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.442 -10.991 18.104 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.837 -13.633 19.332 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.220 -12.519 19.438 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.871 -12.374 20.589 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.405 -13.238 18.085 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.819 -13.196 17.005 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.944 -13.962 18.606 1.00 0.00 H new ATOM 162 N GLN A 11 9.977 -9.513 18.023 1.00 0.00 N ATOM 163 CA GLN A 11 11.410 -9.277 18.053 1.00 0.00 C ATOM 164 C GLN A 11 11.722 -7.999 18.835 1.00 0.00 C ATOM 165 O GLN A 11 12.638 -7.977 19.656 1.00 0.00 O ATOM 166 CB GLN A 11 11.983 -9.205 16.637 1.00 0.00 C ATOM 167 CG GLN A 11 12.767 -10.475 16.297 1.00 0.00 C ATOM 168 CD GLN A 11 14.095 -10.518 17.055 1.00 0.00 C ATOM 169 OE1 GLN A 11 14.301 -9.825 18.039 1.00 0.00 O ATOM 170 NE2 GLN A 11 14.982 -11.368 16.546 1.00 0.00 N ATOM 0 H GLN A 11 9.523 -9.273 17.141 1.00 0.00 H new ATOM 0 HA GLN A 11 11.886 -10.116 18.561 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.173 -9.070 15.920 1.00 0.00 H new ATOM 0 HB3 GLN A 11 12.635 -8.336 16.549 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.172 -11.353 16.549 1.00 0.00 H new ATOM 0 HG3 GLN A 11 12.955 -10.514 15.224 1.00 0.00 H new ATOM 0 HE21 GLN A 11 14.746 -11.918 15.720 1.00 0.00 H new ATOM 0 HE22 GLN A 11 15.899 -11.470 16.981 1.00 0.00 H new ATOM 177 N LYS A 12 10.942 -6.966 18.554 1.00 0.00 N ATOM 178 CA LYS A 12 11.123 -5.688 19.221 1.00 0.00 C ATOM 179 C LYS A 12 10.788 -5.840 20.707 1.00 0.00 C ATOM 180 O LYS A 12 11.554 -5.409 21.566 1.00 0.00 O ATOM 181 CB LYS A 12 10.314 -4.596 18.518 1.00 0.00 C ATOM 182 CG LYS A 12 11.213 -3.734 17.629 1.00 0.00 C ATOM 183 CD LYS A 12 11.225 -4.255 16.191 1.00 0.00 C ATOM 184 CE LYS A 12 12.448 -5.138 15.937 1.00 0.00 C ATOM 185 NZ LYS A 12 12.468 -5.606 14.533 1.00 0.00 N ATOM 0 H LYS A 12 10.183 -6.988 17.873 1.00 0.00 H new ATOM 0 HA LYS A 12 12.164 -5.371 19.159 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.529 -5.052 17.914 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.821 -3.968 19.261 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.862 -2.702 17.643 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.228 -3.731 18.027 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.315 -4.824 15.999 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.228 -3.415 15.496 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.358 -4.579 16.153 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.432 -5.994 16.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.449 -5.791 14.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.912 -6.481 14.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.057 -4.875 13.918 1.00 0.00 H new ATOM 195 N SER A 13 9.643 -6.456 20.961 1.00 0.00 N ATOM 196 CA SER A 13 9.197 -6.671 22.328 1.00 0.00 C ATOM 197 C SER A 13 10.178 -7.587 23.060 1.00 0.00 C ATOM 198 O SER A 13 10.308 -7.514 24.281 1.00 0.00 O ATOM 199 CB SER A 13 7.788 -7.267 22.360 1.00 0.00 C ATOM 200 OG SER A 13 7.354 -7.538 23.689 1.00 0.00 O ATOM 0 H SER A 13 9.011 -6.813 20.245 1.00 0.00 H new ATOM 0 HA SER A 13 9.165 -5.706 22.834 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.091 -6.576 21.885 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.771 -8.188 21.778 1.00 0.00 H new ATOM 0 HG SER A 13 6.450 -7.916 23.667 1.00 0.00 H new ATOM 205 N ASP A 14 10.845 -8.430 22.283 1.00 0.00 N ATOM 206 CA ASP A 14 11.811 -9.359 22.844 1.00 0.00 C ATOM 207 C ASP A 14 13.168 -8.664 22.966 1.00 0.00 C ATOM 208 O ASP A 14 13.935 -8.950 23.885 1.00 0.00 O ATOM 209 CB ASP A 14 11.984 -10.582 21.941 1.00 0.00 C ATOM 210 CG ASP A 14 13.031 -11.592 22.416 1.00 0.00 C ATOM 211 OD1 ASP A 14 12.828 -12.146 23.517 1.00 0.00 O ATOM 212 OD2 ASP A 14 14.012 -11.787 21.666 1.00 0.00 O ATOM 0 H ASP A 14 10.735 -8.488 21.271 1.00 0.00 H new ATOM 0 HA ASP A 14 11.446 -9.680 23.820 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.024 -11.090 21.854 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.256 -10.242 20.942 1.00 0.00 H new ATOM 216 N GLU A 15 13.425 -7.766 22.026 1.00 0.00 N ATOM 217 CA GLU A 15 14.676 -7.029 22.017 1.00 0.00 C ATOM 218 C GLU A 15 14.642 -5.913 23.063 1.00 0.00 C ATOM 219 O GLU A 15 15.612 -5.711 23.793 1.00 0.00 O ATOM 220 CB GLU A 15 14.973 -6.468 20.625 1.00 0.00 C ATOM 221 CG GLU A 15 15.365 -7.585 19.656 1.00 0.00 C ATOM 222 CD GLU A 15 16.800 -7.399 19.158 1.00 0.00 C ATOM 223 OE1 GLU A 15 17.054 -6.342 18.541 1.00 0.00 O ATOM 224 OE2 GLU A 15 17.611 -8.319 19.405 1.00 0.00 O ATOM 0 H GLU A 15 12.787 -7.533 21.265 1.00 0.00 H new ATOM 0 HA GLU A 15 15.482 -7.717 22.274 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.096 -5.944 20.246 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.779 -5.737 20.688 1.00 0.00 H new ATOM 0 HG2 GLU A 15 15.270 -8.551 20.152 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.680 -7.593 18.808 1.00 0.00 H new ATOM 229 N GLY A 16 13.516 -5.215 23.101 1.00 0.00 N ATOM 230 CA GLY A 16 13.344 -4.125 24.044 1.00 0.00 C ATOM 231 C GLY A 16 14.009 -2.846 23.533 1.00 0.00 C ATOM 232 O GLY A 16 15.216 -2.667 23.682 1.00 0.00 O ATOM 0 H GLY A 16 12.714 -5.384 22.493 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.281 -3.946 24.208 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.773 -4.402 25.007 1.00 0.00 H new ATOM 236 N HIS A 17 13.191 -1.989 22.937 1.00 0.00 N ATOM 237 CA HIS A 17 13.685 -0.732 22.402 1.00 0.00 C ATOM 238 C HIS A 17 13.334 0.408 23.360 1.00 0.00 C ATOM 239 O HIS A 17 12.465 0.257 24.218 1.00 0.00 O ATOM 240 CB HIS A 17 13.156 -0.500 20.985 1.00 0.00 C ATOM 241 CG HIS A 17 14.005 -1.125 19.903 1.00 0.00 C ATOM 242 ND1 HIS A 17 13.463 -1.767 18.803 1.00 0.00 N ATOM 243 CD2 HIS A 17 15.360 -1.199 19.763 1.00 0.00 C ATOM 244 CE1 HIS A 17 14.456 -2.204 18.042 1.00 0.00 C ATOM 245 NE2 HIS A 17 15.631 -1.852 18.640 1.00 0.00 N ATOM 0 H HIS A 17 12.190 -2.141 22.813 1.00 0.00 H new ATOM 0 HA HIS A 17 14.771 -0.769 22.321 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.144 -0.900 20.916 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.087 0.573 20.805 1.00 0.00 H new ATOM 0 HD2 HIS A 17 16.089 -0.795 20.450 1.00 0.00 H new ATOM 0 HE1 HIS A 17 14.353 -2.744 17.112 1.00 0.00 H new ATOM 0 HE2 HIS A 17 16.564 -2.057 18.283 1.00 0.00 H new ATOM 253 N PRO A 18 14.045 1.552 23.177 1.00 0.00 N ATOM 254 CA PRO A 18 13.817 2.717 24.015 1.00 0.00 C ATOM 255 C PRO A 18 12.516 3.423 23.629 1.00 0.00 C ATOM 256 O PRO A 18 11.512 3.308 24.331 1.00 0.00 O ATOM 257 CB PRO A 18 15.046 3.589 23.819 1.00 0.00 C ATOM 258 CG PRO A 18 15.698 3.108 22.533 1.00 0.00 C ATOM 259 CD PRO A 18 15.082 1.767 22.171 1.00 0.00 C ATOM 0 HA PRO A 18 13.691 2.461 25.067 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.771 4.641 23.747 1.00 0.00 H new ATOM 0 HB3 PRO A 18 15.730 3.495 24.662 1.00 0.00 H new ATOM 0 HG2 PRO A 18 15.539 3.830 21.732 1.00 0.00 H new ATOM 0 HG3 PRO A 18 16.776 3.010 22.665 1.00 0.00 H new ATOM 0 HD2 PRO A 18 14.661 1.783 21.166 1.00 0.00 H new ATOM 0 HD3 PRO A 18 15.826 0.971 22.193 1.00 0.00 H new ATOM 264 N PHE A 19 12.575 4.139 22.516 1.00 0.00 N ATOM 265 CA PHE A 19 11.413 4.863 22.029 1.00 0.00 C ATOM 266 C PHE A 19 10.781 4.147 20.835 1.00 0.00 C ATOM 267 O PHE A 19 9.580 4.269 20.598 1.00 0.00 O ATOM 268 CB PHE A 19 11.902 6.242 21.580 1.00 0.00 C ATOM 269 CG PHE A 19 11.489 7.383 22.513 1.00 0.00 C ATOM 270 CD1 PHE A 19 12.148 7.572 23.688 1.00 0.00 C ATOM 271 CD2 PHE A 19 10.465 8.207 22.167 1.00 0.00 C ATOM 272 CE1 PHE A 19 11.766 8.631 24.554 1.00 0.00 C ATOM 273 CE2 PHE A 19 10.082 9.266 23.033 1.00 0.00 C ATOM 274 CZ PHE A 19 10.740 9.455 24.208 1.00 0.00 C ATOM 0 H PHE A 19 13.410 4.233 21.937 1.00 0.00 H new ATOM 0 HA PHE A 19 10.662 4.933 22.816 1.00 0.00 H new ATOM 0 HB2 PHE A 19 12.989 6.224 21.504 1.00 0.00 H new ATOM 0 HB3 PHE A 19 11.516 6.445 20.581 1.00 0.00 H new ATOM 0 HD1 PHE A 19 12.962 6.917 23.962 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.943 8.057 21.234 1.00 0.00 H new ATOM 0 HE1 PHE A 19 12.290 8.782 25.486 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.268 9.921 22.758 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.448 10.259 24.867 1.00 0.00 H new ATOM 283 N ARG A 20 11.617 3.414 20.114 1.00 0.00 N ATOM 284 CA ARG A 20 11.154 2.676 18.951 1.00 0.00 C ATOM 285 C ARG A 20 9.999 1.750 19.334 1.00 0.00 C ATOM 286 O ARG A 20 8.983 1.700 18.643 1.00 0.00 O ATOM 287 CB ARG A 20 12.285 1.845 18.340 1.00 0.00 C ATOM 288 CG ARG A 20 12.948 2.589 17.179 1.00 0.00 C ATOM 289 CD ARG A 20 14.308 3.152 17.595 1.00 0.00 C ATOM 290 NE ARG A 20 15.126 3.436 16.394 1.00 0.00 N ATOM 291 CZ ARG A 20 16.400 3.849 16.434 1.00 0.00 C ATOM 292 NH1 ARG A 20 17.010 4.030 17.613 1.00 0.00 N ATOM 293 NH2 ARG A 20 17.066 4.081 15.294 1.00 0.00 N ATOM 0 H ARG A 20 12.613 3.315 20.313 1.00 0.00 H new ATOM 0 HA ARG A 20 10.812 3.401 18.213 1.00 0.00 H new ATOM 0 HB2 ARG A 20 13.029 1.620 19.104 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.891 0.892 17.988 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.073 1.913 16.333 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.301 3.400 16.845 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.171 4.064 18.176 1.00 0.00 H new ATOM 0 HD3 ARG A 20 14.825 2.439 18.237 1.00 0.00 H new ATOM 0 HE ARG A 20 14.693 3.309 15.479 1.00 0.00 H new ATOM 0 HH11 ARG A 20 16.505 3.853 18.481 1.00 0.00 H new ATOM 0 HH12 ARG A 20 17.980 4.344 17.642 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.603 3.943 14.396 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.036 4.395 15.325 1.00 0.00 H new ATOM 304 N ALA A 21 10.194 1.038 20.435 1.00 0.00 N ATOM 305 CA ALA A 21 9.180 0.116 20.918 1.00 0.00 C ATOM 306 C ALA A 21 7.894 0.889 21.218 1.00 0.00 C ATOM 307 O ALA A 21 6.828 0.547 20.711 1.00 0.00 O ATOM 308 CB ALA A 21 9.712 -0.629 22.144 1.00 0.00 C ATOM 0 H ALA A 21 11.038 1.081 21.006 1.00 0.00 H new ATOM 0 HA ALA A 21 8.946 -0.630 20.158 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.952 -1.321 22.507 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.609 -1.185 21.871 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.955 0.088 22.928 1.00 0.00 H new ATOM 314 N TYR A 22 8.038 1.917 22.041 1.00 0.00 N ATOM 315 CA TYR A 22 6.901 2.742 22.414 1.00 0.00 C ATOM 316 C TYR A 22 5.980 2.979 21.217 1.00 0.00 C ATOM 317 O TYR A 22 4.774 3.163 21.383 1.00 0.00 O ATOM 318 CB TYR A 22 7.483 4.081 22.868 1.00 0.00 C ATOM 319 CG TYR A 22 6.652 4.790 23.940 1.00 0.00 C ATOM 320 CD1 TYR A 22 6.342 4.138 25.115 1.00 0.00 C ATOM 321 CD2 TYR A 22 6.212 6.081 23.730 1.00 0.00 C ATOM 322 CE1 TYR A 22 5.559 4.804 26.125 1.00 0.00 C ATOM 323 CE2 TYR A 22 5.429 6.748 24.738 1.00 0.00 C ATOM 324 CZ TYR A 22 5.142 6.077 25.885 1.00 0.00 C ATOM 325 OH TYR A 22 4.402 6.707 26.837 1.00 0.00 O ATOM 0 H TYR A 22 8.925 2.198 22.460 1.00 0.00 H new ATOM 0 HA TYR A 22 6.313 2.256 23.193 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.489 3.916 23.253 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.576 4.737 22.003 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.686 3.127 25.278 1.00 0.00 H new ATOM 0 HD2 TYR A 22 6.455 6.591 22.810 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.309 4.305 27.050 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.078 7.758 24.586 1.00 0.00 H new ATOM 0 HH TYR A 22 4.175 7.610 26.531 1.00 0.00 H new ATOM 334 N LEU A 23 6.581 2.968 20.036 1.00 0.00 N ATOM 335 CA LEU A 23 5.830 3.181 18.811 1.00 0.00 C ATOM 336 C LEU A 23 5.144 1.874 18.406 1.00 0.00 C ATOM 337 O LEU A 23 3.924 1.830 18.252 1.00 0.00 O ATOM 338 CB LEU A 23 6.732 3.765 17.723 1.00 0.00 C ATOM 339 CG LEU A 23 6.550 5.256 17.428 1.00 0.00 C ATOM 340 CD1 LEU A 23 5.117 5.555 16.983 1.00 0.00 C ATOM 341 CD2 LEU A 23 6.966 6.106 18.630 1.00 0.00 C ATOM 0 H LEU A 23 7.580 2.815 19.902 1.00 0.00 H new ATOM 0 HA LEU A 23 5.044 3.919 18.969 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.770 3.596 18.010 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.562 3.209 16.801 1.00 0.00 H new ATOM 0 HG LEU A 23 7.207 5.524 16.601 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.014 6.621 16.780 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.891 4.990 16.079 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.423 5.268 17.773 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.827 7.161 18.395 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.353 5.843 19.492 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.015 5.921 18.861 1.00 0.00 H new ATOM 352 N GLU A 24 5.958 0.841 18.243 1.00 0.00 N ATOM 353 CA GLU A 24 5.446 -0.462 17.858 1.00 0.00 C ATOM 354 C GLU A 24 4.444 -0.967 18.899 1.00 0.00 C ATOM 355 O GLU A 24 3.545 -1.740 18.576 1.00 0.00 O ATOM 356 CB GLU A 24 6.586 -1.464 17.664 1.00 0.00 C ATOM 357 CG GLU A 24 6.445 -2.203 16.331 1.00 0.00 C ATOM 358 CD GLU A 24 5.071 -2.862 16.213 1.00 0.00 C ATOM 359 OE1 GLU A 24 4.963 -4.031 16.642 1.00 0.00 O ATOM 360 OE2 GLU A 24 4.158 -2.183 15.696 1.00 0.00 O ATOM 0 H GLU A 24 6.969 0.881 18.371 1.00 0.00 H new ATOM 0 HA GLU A 24 4.929 -0.360 16.904 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.543 -0.943 17.696 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.587 -2.182 18.484 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.589 -1.504 15.507 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.224 -2.961 16.247 1.00 0.00 H new ATOM 365 N SER A 25 4.635 -0.509 20.128 1.00 0.00 N ATOM 366 CA SER A 25 3.760 -0.905 21.217 1.00 0.00 C ATOM 367 C SER A 25 2.343 -0.384 20.966 1.00 0.00 C ATOM 368 O SER A 25 1.376 -1.141 21.040 1.00 0.00 O ATOM 369 CB SER A 25 4.283 -0.390 22.559 1.00 0.00 C ATOM 370 OG SER A 25 3.267 -0.370 23.558 1.00 0.00 O ATOM 0 H SER A 25 5.383 0.132 20.393 1.00 0.00 H new ATOM 0 HA SER A 25 3.739 -1.994 21.259 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.107 -1.021 22.893 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.684 0.615 22.430 1.00 0.00 H new ATOM 0 HG SER A 25 3.642 -0.036 24.400 1.00 0.00 H new ATOM 375 N GLU A 26 2.264 0.907 20.675 1.00 0.00 N ATOM 376 CA GLU A 26 0.982 1.538 20.412 1.00 0.00 C ATOM 377 C GLU A 26 0.306 0.884 19.205 1.00 0.00 C ATOM 378 O GLU A 26 -0.912 0.964 19.053 1.00 0.00 O ATOM 379 CB GLU A 26 1.145 3.044 20.200 1.00 0.00 C ATOM 380 CG GLU A 26 0.502 3.831 21.343 1.00 0.00 C ATOM 381 CD GLU A 26 1.359 3.760 22.609 1.00 0.00 C ATOM 382 OE1 GLU A 26 2.398 4.454 22.631 1.00 0.00 O ATOM 383 OE2 GLU A 26 0.954 3.012 23.526 1.00 0.00 O ATOM 0 H GLU A 26 3.067 1.533 20.616 1.00 0.00 H new ATOM 0 HA GLU A 26 0.343 1.395 21.283 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.204 3.293 20.133 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.689 3.333 19.253 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.373 4.872 21.045 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.491 3.433 21.549 1.00 0.00 H new ATOM 388 N VAL A 27 1.126 0.252 18.378 1.00 0.00 N ATOM 389 CA VAL A 27 0.622 -0.414 17.190 1.00 0.00 C ATOM 390 C VAL A 27 0.071 -1.789 17.576 1.00 0.00 C ATOM 391 O VAL A 27 -1.031 -2.155 17.172 1.00 0.00 O ATOM 392 CB VAL A 27 1.720 -0.488 16.126 1.00 0.00 C ATOM 393 CG1 VAL A 27 1.323 -1.437 14.994 1.00 0.00 C ATOM 394 CG2 VAL A 27 2.052 0.904 15.584 1.00 0.00 C ATOM 0 H VAL A 27 2.136 0.187 18.508 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.199 0.155 16.753 1.00 0.00 H new ATOM 0 HB VAL A 27 2.618 -0.887 16.598 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.120 -1.471 14.252 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.160 -2.436 15.397 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.406 -1.081 14.525 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.835 0.824 14.830 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.160 1.342 15.136 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.398 1.539 16.400 1.00 0.00 H new ATOM 404 N ALA A 28 0.864 -2.512 18.353 1.00 0.00 N ATOM 405 CA ALA A 28 0.469 -3.837 18.798 1.00 0.00 C ATOM 406 C ALA A 28 -0.713 -3.716 19.762 1.00 0.00 C ATOM 407 O ALA A 28 -1.634 -4.530 19.724 1.00 0.00 O ATOM 408 CB ALA A 28 1.670 -4.541 19.434 1.00 0.00 C ATOM 0 H ALA A 28 1.778 -2.205 18.686 1.00 0.00 H new ATOM 0 HA ALA A 28 0.144 -4.444 17.953 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.374 -5.535 19.768 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.471 -4.628 18.700 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.022 -3.961 20.287 1.00 0.00 H new ATOM 414 N ILE A 29 -0.649 -2.693 20.602 1.00 0.00 N ATOM 415 CA ILE A 29 -1.702 -2.455 21.573 1.00 0.00 C ATOM 416 C ILE A 29 -3.018 -2.196 20.838 1.00 0.00 C ATOM 417 O ILE A 29 -4.093 -2.501 21.354 1.00 0.00 O ATOM 418 CB ILE A 29 -1.302 -1.333 22.533 1.00 0.00 C ATOM 419 CG1 ILE A 29 -1.760 -1.642 23.960 1.00 0.00 C ATOM 420 CG2 ILE A 29 -1.824 0.019 22.044 1.00 0.00 C ATOM 421 CD1 ILE A 29 -3.218 -1.228 24.170 1.00 0.00 C ATOM 0 H ILE A 29 0.117 -2.020 20.630 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.853 -3.337 22.196 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.214 -1.271 22.551 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.649 -2.708 24.159 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.123 -1.117 24.672 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.526 0.799 22.744 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.407 0.236 21.060 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.912 -0.013 21.978 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.518 -1.459 25.192 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.321 -0.157 23.994 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.855 -1.773 23.473 1.00 0.00 H new ATOM 432 N SER A 30 -2.892 -1.635 19.644 1.00 0.00 N ATOM 433 CA SER A 30 -4.058 -1.331 18.833 1.00 0.00 C ATOM 434 C SER A 30 -4.574 -2.605 18.161 1.00 0.00 C ATOM 435 O SER A 30 -5.781 -2.781 18.001 1.00 0.00 O ATOM 436 CB SER A 30 -3.736 -0.269 17.780 1.00 0.00 C ATOM 437 OG SER A 30 -3.281 0.947 18.370 1.00 0.00 O ATOM 0 H SER A 30 -2.000 -1.383 19.219 1.00 0.00 H new ATOM 0 HA SER A 30 -4.834 -0.932 19.486 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.973 -0.651 17.102 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.625 -0.071 17.181 1.00 0.00 H new ATOM 0 HG SER A 30 -2.302 0.976 18.346 1.00 0.00 H new ATOM 442 N GLU A 31 -3.635 -3.459 17.784 1.00 0.00 N ATOM 443 CA GLU A 31 -3.979 -4.712 17.132 1.00 0.00 C ATOM 444 C GLU A 31 -5.019 -5.471 17.958 1.00 0.00 C ATOM 445 O GLU A 31 -5.778 -6.276 17.419 1.00 0.00 O ATOM 446 CB GLU A 31 -2.734 -5.569 16.898 1.00 0.00 C ATOM 447 CG GLU A 31 -3.112 -6.953 16.368 1.00 0.00 C ATOM 448 CD GLU A 31 -1.900 -7.886 16.355 1.00 0.00 C ATOM 449 OE1 GLU A 31 -1.197 -7.889 15.323 1.00 0.00 O ATOM 450 OE2 GLU A 31 -1.705 -8.576 17.379 1.00 0.00 O ATOM 0 H GLU A 31 -2.635 -3.309 17.917 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.411 -4.485 16.158 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.074 -5.071 16.187 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.179 -5.672 17.830 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.898 -7.382 16.989 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.516 -6.862 15.360 1.00 0.00 H new ATOM 455 N GLU A 32 -5.023 -5.188 19.253 1.00 0.00 N ATOM 456 CA GLU A 32 -5.957 -5.834 20.158 1.00 0.00 C ATOM 457 C GLU A 32 -7.317 -5.134 20.105 1.00 0.00 C ATOM 458 O GLU A 32 -8.348 -5.754 20.363 1.00 0.00 O ATOM 459 CB GLU A 32 -5.408 -5.859 21.586 1.00 0.00 C ATOM 460 CG GLU A 32 -5.284 -7.295 22.100 1.00 0.00 C ATOM 461 CD GLU A 32 -5.370 -7.340 23.627 1.00 0.00 C ATOM 462 OE1 GLU A 32 -4.708 -6.488 24.258 1.00 0.00 O ATOM 463 OE2 GLU A 32 -6.094 -8.227 24.128 1.00 0.00 O ATOM 0 H GLU A 32 -4.393 -4.519 19.696 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.089 -6.867 19.837 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.432 -5.374 21.613 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.066 -5.289 22.242 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.075 -7.909 21.669 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.336 -7.722 21.773 1.00 0.00 H new ATOM 468 N LEU A 33 -7.275 -3.853 19.769 1.00 0.00 N ATOM 469 CA LEU A 33 -8.491 -3.063 19.679 1.00 0.00 C ATOM 470 C LEU A 33 -9.393 -3.645 18.588 1.00 0.00 C ATOM 471 O LEU A 33 -10.585 -3.854 18.809 1.00 0.00 O ATOM 472 CB LEU A 33 -8.155 -1.585 19.476 1.00 0.00 C ATOM 473 CG LEU A 33 -8.405 -0.669 20.676 1.00 0.00 C ATOM 474 CD1 LEU A 33 -9.902 -0.530 20.958 1.00 0.00 C ATOM 475 CD2 LEU A 33 -7.634 -1.154 21.906 1.00 0.00 C ATOM 0 H LEU A 33 -6.418 -3.343 19.556 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.049 -3.114 20.614 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.104 -1.507 19.197 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.737 -1.213 18.633 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.030 0.324 20.430 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.051 0.126 21.816 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.399 -0.106 20.086 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.324 -1.511 21.174 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.829 -0.486 22.745 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.957 -2.163 22.163 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.566 -1.160 21.687 1.00 0.00 H new ATOM 486 N VAL A 34 -8.789 -3.888 17.434 1.00 0.00 N ATOM 487 CA VAL A 34 -9.522 -4.441 16.308 1.00 0.00 C ATOM 488 C VAL A 34 -10.102 -5.802 16.702 1.00 0.00 C ATOM 489 O VAL A 34 -11.129 -6.220 16.169 1.00 0.00 O ATOM 490 CB VAL A 34 -8.616 -4.511 15.077 1.00 0.00 C ATOM 491 CG1 VAL A 34 -7.487 -5.522 15.284 1.00 0.00 C ATOM 492 CG2 VAL A 34 -9.424 -4.841 13.821 1.00 0.00 C ATOM 0 H VAL A 34 -7.800 -3.712 17.255 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.359 -3.795 16.042 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.164 -3.529 14.937 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.858 -5.552 14.394 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.886 -5.225 16.144 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.911 -6.510 15.462 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.757 -4.885 12.960 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.916 -5.805 13.948 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.176 -4.068 13.658 1.00 0.00 H new ATOM 502 N GLN A 35 -9.419 -6.455 17.631 1.00 0.00 N ATOM 503 CA GLN A 35 -9.853 -7.759 18.102 1.00 0.00 C ATOM 504 C GLN A 35 -10.959 -7.605 19.146 1.00 0.00 C ATOM 505 O GLN A 35 -11.829 -8.466 19.267 1.00 0.00 O ATOM 506 CB GLN A 35 -8.676 -8.560 18.663 1.00 0.00 C ATOM 507 CG GLN A 35 -8.724 -10.012 18.185 1.00 0.00 C ATOM 508 CD GLN A 35 -7.471 -10.368 17.384 1.00 0.00 C ATOM 509 OE1 GLN A 35 -7.433 -10.273 16.168 1.00 0.00 O ATOM 510 NE2 GLN A 35 -6.449 -10.780 18.130 1.00 0.00 N ATOM 0 H GLN A 35 -8.568 -6.105 18.070 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.255 -8.314 17.254 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.738 -8.101 18.351 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.698 -8.531 19.752 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.813 -10.678 19.043 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.610 -10.166 17.569 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.548 -10.837 19.144 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.567 -11.039 17.688 1.00 0.00 H new ATOM 517 N LYS A 36 -10.891 -6.501 19.876 1.00 0.00 N ATOM 518 CA LYS A 36 -11.876 -6.222 20.907 1.00 0.00 C ATOM 519 C LYS A 36 -13.230 -5.940 20.250 1.00 0.00 C ATOM 520 O LYS A 36 -14.274 -6.100 20.880 1.00 0.00 O ATOM 521 CB LYS A 36 -11.390 -5.096 21.822 1.00 0.00 C ATOM 522 CG LYS A 36 -11.700 -5.409 23.288 1.00 0.00 C ATOM 523 CD LYS A 36 -10.459 -5.934 24.010 1.00 0.00 C ATOM 524 CE LYS A 36 -10.847 -6.839 25.181 1.00 0.00 C ATOM 525 NZ LYS A 36 -9.932 -6.628 26.325 1.00 0.00 N ATOM 0 H LYS A 36 -10.168 -5.789 19.774 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.009 -7.091 21.552 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.316 -4.957 21.695 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.868 -4.159 21.537 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.062 -4.510 23.787 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.498 -6.149 23.345 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.834 -6.488 23.310 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.865 -5.096 24.375 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.873 -6.630 25.485 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.813 -7.883 24.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.210 -7.250 27.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.958 -6.849 26.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.985 -5.636 26.633 1.00 0.00 H new ATOM 535 N TYR A 37 -13.167 -5.526 18.993 1.00 0.00 N ATOM 536 CA TYR A 37 -14.375 -5.221 18.245 1.00 0.00 C ATOM 537 C TYR A 37 -15.341 -6.407 18.256 1.00 0.00 C ATOM 538 O TYR A 37 -16.543 -6.230 18.446 1.00 0.00 O ATOM 539 CB TYR A 37 -13.924 -4.959 16.806 1.00 0.00 C ATOM 540 CG TYR A 37 -14.475 -5.962 15.790 1.00 0.00 C ATOM 541 CD1 TYR A 37 -13.843 -7.175 15.606 1.00 0.00 C ATOM 542 CD2 TYR A 37 -15.603 -5.653 15.057 1.00 0.00 C ATOM 543 CE1 TYR A 37 -14.361 -8.118 14.649 1.00 0.00 C ATOM 544 CE2 TYR A 37 -16.121 -6.597 14.101 1.00 0.00 C ATOM 545 CZ TYR A 37 -15.475 -7.783 13.944 1.00 0.00 C ATOM 546 OH TYR A 37 -15.964 -8.674 13.040 1.00 0.00 O ATOM 0 H TYR A 37 -12.299 -5.395 18.474 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.893 -4.368 18.683 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.234 -3.955 16.516 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -12.835 -4.979 16.768 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -12.960 -7.417 16.179 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -16.097 -4.703 15.200 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -13.876 -9.070 14.494 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -17.003 -6.368 13.522 1.00 0.00 H new ATOM 0 HH TYR A 37 -16.763 -8.301 12.612 1.00 0.00 H new ATOM 555 N SER A 38 -14.780 -7.589 18.051 1.00 0.00 N ATOM 556 CA SER A 38 -15.576 -8.804 18.035 1.00 0.00 C ATOM 557 C SER A 38 -16.401 -8.905 19.320 1.00 0.00 C ATOM 558 O SER A 38 -17.564 -9.306 19.286 1.00 0.00 O ATOM 559 CB SER A 38 -14.692 -10.041 17.873 1.00 0.00 C ATOM 560 OG SER A 38 -15.292 -11.020 17.028 1.00 0.00 O ATOM 0 H SER A 38 -13.782 -7.731 17.894 1.00 0.00 H new ATOM 0 HA SER A 38 -16.250 -8.760 17.180 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.728 -9.746 17.458 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.497 -10.478 18.852 1.00 0.00 H new ATOM 0 HG SER A 38 -14.695 -11.793 16.949 1.00 0.00 H new ATOM 565 N ASN A 39 -15.766 -8.537 20.423 1.00 0.00 N ATOM 566 CA ASN A 39 -16.427 -8.582 21.716 1.00 0.00 C ATOM 567 C ASN A 39 -17.253 -7.308 21.907 1.00 0.00 C ATOM 568 O ASN A 39 -18.355 -7.355 22.450 1.00 0.00 O ATOM 569 CB ASN A 39 -15.406 -8.657 22.853 1.00 0.00 C ATOM 570 CG ASN A 39 -15.383 -10.053 23.478 1.00 0.00 C ATOM 571 OD1 ASN A 39 -16.310 -10.476 24.149 1.00 0.00 O ATOM 572 ND2 ASN A 39 -14.274 -10.741 23.223 1.00 0.00 N ATOM 0 H ASN A 39 -14.801 -8.207 20.448 1.00 0.00 H new ATOM 0 HA ASN A 39 -17.061 -9.468 21.740 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.415 -8.408 22.474 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.650 -7.917 23.615 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.161 -11.683 23.597 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.536 -10.327 22.653 1.00 0.00 H new ATOM 578 N SER A 40 -16.689 -6.200 21.447 1.00 0.00 N ATOM 579 CA SER A 40 -17.360 -4.917 21.560 1.00 0.00 C ATOM 580 C SER A 40 -18.647 -4.924 20.731 1.00 0.00 C ATOM 581 O SER A 40 -19.632 -4.290 21.104 1.00 0.00 O ATOM 582 CB SER A 40 -16.445 -3.775 21.111 1.00 0.00 C ATOM 583 OG SER A 40 -15.234 -3.735 21.861 1.00 0.00 O ATOM 0 H SER A 40 -15.775 -6.165 20.996 1.00 0.00 H new ATOM 0 HA SER A 40 -17.612 -4.754 22.608 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.212 -3.892 20.053 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.970 -2.826 21.219 1.00 0.00 H new ATOM 0 HG SER A 40 -14.751 -4.580 21.747 1.00 0.00 H new ATOM 588 N ALA A 41 -18.594 -5.648 19.623 1.00 0.00 N ATOM 589 CA ALA A 41 -19.742 -5.746 18.738 1.00 0.00 C ATOM 590 C ALA A 41 -20.978 -6.127 19.555 1.00 0.00 C ATOM 591 O ALA A 41 -22.107 -5.876 19.134 1.00 0.00 O ATOM 592 CB ALA A 41 -19.446 -6.754 17.625 1.00 0.00 C ATOM 0 H ALA A 41 -17.774 -6.172 19.318 1.00 0.00 H new ATOM 0 HA ALA A 41 -19.943 -4.786 18.263 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -20.308 -6.827 16.962 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -18.577 -6.423 17.056 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -19.242 -7.731 18.064 1.00 0.00 H new ATOM 598 N LEU A 42 -20.725 -6.727 20.709 1.00 0.00 N ATOM 599 CA LEU A 42 -21.803 -7.144 21.589 1.00 0.00 C ATOM 600 C LEU A 42 -22.833 -6.018 21.696 1.00 0.00 C ATOM 601 O LEU A 42 -24.010 -6.270 21.951 1.00 0.00 O ATOM 602 CB LEU A 42 -21.247 -7.599 22.939 1.00 0.00 C ATOM 603 CG LEU A 42 -20.838 -6.486 23.906 1.00 0.00 C ATOM 604 CD1 LEU A 42 -22.066 -5.760 24.457 1.00 0.00 C ATOM 605 CD2 LEU A 42 -19.945 -7.031 25.023 1.00 0.00 C ATOM 0 H LEU A 42 -19.788 -6.934 21.055 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.319 -8.010 21.175 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -21.998 -8.220 23.428 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -20.379 -8.232 22.757 1.00 0.00 H new ATOM 0 HG LEU A 42 -20.251 -5.752 23.354 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.747 -4.974 25.142 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -22.627 -5.318 23.634 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -22.700 -6.469 24.989 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -19.669 -6.220 25.696 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -20.485 -7.797 25.580 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -19.044 -7.465 24.589 1.00 0.00 H new ATOM 616 N GLY A 43 -22.354 -4.799 21.496 1.00 0.00 N ATOM 617 CA GLY A 43 -23.218 -3.634 21.567 1.00 0.00 C ATOM 618 C GLY A 43 -22.682 -2.499 20.691 1.00 0.00 C ATOM 619 O GLY A 43 -22.448 -1.393 21.176 1.00 0.00 O ATOM 0 H GLY A 43 -21.378 -4.593 21.285 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -24.224 -3.903 21.245 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -23.294 -3.296 22.600 1.00 0.00 H new ATOM 623 N HIS A 44 -22.505 -2.812 19.416 1.00 0.00 N ATOM 624 CA HIS A 44 -22.001 -1.833 18.468 1.00 0.00 C ATOM 625 C HIS A 44 -20.930 -0.972 19.140 1.00 0.00 C ATOM 626 O HIS A 44 -20.771 0.201 18.806 1.00 0.00 O ATOM 627 CB HIS A 44 -23.146 -1.004 17.882 1.00 0.00 C ATOM 628 CG HIS A 44 -24.183 -0.587 18.897 1.00 0.00 C ATOM 629 ND1 HIS A 44 -24.146 0.371 19.867 1.00 0.00 N flip ATOM 630 CD2 HIS A 44 -25.429 -1.183 18.983 1.00 0.00 C flip ATOM 631 CE1 HIS A 44 -25.307 0.363 20.510 1.00 0.00 C flip ATOM 632 NE2 HIS A 44 -26.105 -0.601 19.963 1.00 0.00 N flip ATOM 0 H HIS A 44 -22.702 -3.730 19.017 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.532 -2.344 17.627 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -22.732 -0.111 17.413 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -23.633 -1.581 17.096 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -25.789 -1.986 18.357 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -25.576 1.012 21.330 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -27.054 -0.832 20.257 1.00 0.00 H new ATOM 640 N VAL A 45 -20.223 -1.588 20.077 1.00 0.00 N ATOM 641 CA VAL A 45 -19.171 -0.892 20.799 1.00 0.00 C ATOM 642 C VAL A 45 -17.883 -0.925 19.974 1.00 0.00 C ATOM 643 O VAL A 45 -17.023 -0.059 20.125 1.00 0.00 O ATOM 644 CB VAL A 45 -19.004 -1.499 22.194 1.00 0.00 C ATOM 645 CG1 VAL A 45 -17.875 -0.808 22.961 1.00 0.00 C ATOM 646 CG2 VAL A 45 -20.317 -1.441 22.978 1.00 0.00 C ATOM 0 H VAL A 45 -20.358 -2.561 20.353 1.00 0.00 H new ATOM 0 HA VAL A 45 -19.436 0.155 20.944 1.00 0.00 H new ATOM 0 HB VAL A 45 -18.733 -2.548 22.073 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -17.777 -1.258 23.949 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.939 -0.925 22.415 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -18.103 0.253 23.067 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -20.171 -1.879 23.966 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -20.632 -0.403 23.084 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -21.085 -2.000 22.443 1.00 0.00 H new ATOM 656 N ASN A 46 -17.792 -1.934 19.120 1.00 0.00 N ATOM 657 CA ASN A 46 -16.623 -2.092 18.271 1.00 0.00 C ATOM 658 C ASN A 46 -16.421 -0.819 17.447 1.00 0.00 C ATOM 659 O ASN A 46 -15.332 -0.576 16.930 1.00 0.00 O ATOM 660 CB ASN A 46 -16.802 -3.260 17.299 1.00 0.00 C ATOM 661 CG ASN A 46 -18.217 -3.280 16.719 1.00 0.00 C ATOM 662 OD1 ASN A 46 -18.943 -2.299 16.753 1.00 0.00 O ATOM 663 ND2 ASN A 46 -18.568 -4.446 16.187 1.00 0.00 N ATOM 0 H ASN A 46 -18.508 -2.650 18.998 1.00 0.00 H new ATOM 0 HA ASN A 46 -15.764 -2.285 18.913 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -16.075 -3.179 16.491 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -16.603 -4.200 17.814 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -19.494 -4.560 15.774 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -17.912 -5.227 16.192 1.00 0.00 H new ATOM 669 N CYS A 47 -17.489 -0.039 17.350 1.00 0.00 N ATOM 670 CA CYS A 47 -17.442 1.203 16.598 1.00 0.00 C ATOM 671 C CYS A 47 -16.979 2.318 17.538 1.00 0.00 C ATOM 672 O CYS A 47 -16.402 3.309 17.095 1.00 0.00 O ATOM 673 CB CYS A 47 -18.792 1.526 15.954 1.00 0.00 C ATOM 674 SG CYS A 47 -18.585 2.828 14.686 1.00 0.00 S ATOM 0 H CYS A 47 -18.391 -0.244 17.780 1.00 0.00 H new ATOM 0 HA CYS A 47 -16.734 1.105 15.775 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -19.212 0.628 15.500 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -19.498 1.858 16.716 1.00 0.00 H new ATOM 0 HG CYS A 47 -19.753 3.243 14.295 1.00 0.00 H new ATOM 679 N THR A 48 -17.248 2.117 18.820 1.00 0.00 N ATOM 680 CA THR A 48 -16.866 3.093 19.827 1.00 0.00 C ATOM 681 C THR A 48 -15.420 2.865 20.267 1.00 0.00 C ATOM 682 O THR A 48 -14.780 3.770 20.803 1.00 0.00 O ATOM 683 CB THR A 48 -17.872 3.005 20.976 1.00 0.00 C ATOM 684 OG1 THR A 48 -19.103 3.425 20.393 1.00 0.00 O ATOM 685 CG2 THR A 48 -17.605 4.040 22.070 1.00 0.00 C ATOM 0 H THR A 48 -17.726 1.293 19.184 1.00 0.00 H new ATOM 0 HA THR A 48 -16.895 4.107 19.427 1.00 0.00 H new ATOM 0 HB THR A 48 -17.841 2.005 21.408 1.00 0.00 H new ATOM 0 HG1 THR A 48 -19.812 3.397 21.069 1.00 0.00 H new ATOM 0 HG21 THR A 48 -18.348 3.933 22.861 1.00 0.00 H new ATOM 0 HG22 THR A 48 -16.609 3.883 22.484 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.668 5.042 21.646 1.00 0.00 H new ATOM 693 N ILE A 49 -14.944 1.652 20.026 1.00 0.00 N ATOM 694 CA ILE A 49 -13.584 1.295 20.392 1.00 0.00 C ATOM 695 C ILE A 49 -12.637 1.678 19.253 1.00 0.00 C ATOM 696 O ILE A 49 -11.607 2.309 19.483 1.00 0.00 O ATOM 697 CB ILE A 49 -13.506 -0.182 20.785 1.00 0.00 C ATOM 698 CG1 ILE A 49 -13.746 -1.085 19.575 1.00 0.00 C ATOM 699 CG2 ILE A 49 -14.467 -0.494 21.933 1.00 0.00 C ATOM 700 CD1 ILE A 49 -12.473 -1.232 18.738 1.00 0.00 C ATOM 0 H ILE A 49 -15.476 0.904 19.582 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.267 1.854 21.273 1.00 0.00 H new ATOM 0 HB ILE A 49 -12.498 -0.388 21.144 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -14.080 -2.067 19.910 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.544 -0.670 18.960 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -14.392 -1.550 22.193 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.207 0.113 22.800 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.488 -0.268 21.625 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -12.672 -1.879 17.884 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.155 -0.251 18.384 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.684 -1.670 19.349 1.00 0.00 H new ATOM 711 N LYS A 50 -13.021 1.281 18.048 1.00 0.00 N ATOM 712 CA LYS A 50 -12.218 1.576 16.873 1.00 0.00 C ATOM 713 C LYS A 50 -12.145 3.092 16.677 1.00 0.00 C ATOM 714 O LYS A 50 -11.181 3.603 16.108 1.00 0.00 O ATOM 715 CB LYS A 50 -12.757 0.824 15.654 1.00 0.00 C ATOM 716 CG LYS A 50 -13.227 1.798 14.572 1.00 0.00 C ATOM 717 CD LYS A 50 -14.558 2.447 14.956 1.00 0.00 C ATOM 718 CE LYS A 50 -14.659 3.867 14.396 1.00 0.00 C ATOM 719 NZ LYS A 50 -15.569 4.687 15.224 1.00 0.00 N ATOM 0 H LYS A 50 -13.876 0.758 17.860 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.196 1.223 17.012 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.980 0.174 15.251 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.585 0.182 15.955 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.473 2.570 14.421 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.336 1.269 13.625 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.383 1.844 14.577 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.654 2.473 16.041 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.670 4.325 14.369 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.023 3.834 13.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.168 5.639 15.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.496 4.757 14.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.684 4.243 16.157 1.00 0.00 H new ATOM 729 N GLU A 51 -13.177 3.769 17.160 1.00 0.00 N ATOM 730 CA GLU A 51 -13.242 5.216 17.045 1.00 0.00 C ATOM 731 C GLU A 51 -11.859 5.830 17.277 1.00 0.00 C ATOM 732 O GLU A 51 -11.481 6.790 16.609 1.00 0.00 O ATOM 733 CB GLU A 51 -14.269 5.798 18.017 1.00 0.00 C ATOM 734 CG GLU A 51 -14.633 7.234 17.636 1.00 0.00 C ATOM 735 CD GLU A 51 -15.422 7.915 18.755 1.00 0.00 C ATOM 736 OE1 GLU A 51 -16.267 7.219 19.360 1.00 0.00 O ATOM 737 OE2 GLU A 51 -15.165 9.117 18.981 1.00 0.00 O ATOM 0 H GLU A 51 -13.974 3.342 17.632 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.565 5.466 16.034 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.166 5.179 18.017 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.868 5.777 19.030 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.725 7.801 17.430 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.223 7.232 16.719 1.00 0.00 H new ATOM 742 N LEU A 52 -11.142 5.249 18.229 1.00 0.00 N ATOM 743 CA LEU A 52 -9.809 5.726 18.558 1.00 0.00 C ATOM 744 C LEU A 52 -8.774 4.909 17.783 1.00 0.00 C ATOM 745 O LEU A 52 -8.061 5.446 16.936 1.00 0.00 O ATOM 746 CB LEU A 52 -9.595 5.713 20.072 1.00 0.00 C ATOM 747 CG LEU A 52 -9.155 7.038 20.700 1.00 0.00 C ATOM 748 CD1 LEU A 52 -7.794 7.476 20.156 1.00 0.00 C ATOM 749 CD2 LEU A 52 -10.222 8.117 20.506 1.00 0.00 C ATOM 0 H LEU A 52 -11.459 4.453 18.782 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.689 6.765 18.251 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.524 5.400 20.547 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.846 4.956 20.306 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.041 6.886 21.773 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.504 8.420 20.618 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.048 6.715 20.386 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.859 7.606 19.076 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.885 9.048 20.961 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.391 8.274 19.441 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.152 7.798 20.978 1.00 0.00 H new ATOM 760 N ARG A 53 -8.723 3.623 18.100 1.00 0.00 N ATOM 761 CA ARG A 53 -7.787 2.727 17.444 1.00 0.00 C ATOM 762 C ARG A 53 -7.625 3.111 15.972 1.00 0.00 C ATOM 763 O ARG A 53 -6.590 3.641 15.575 1.00 0.00 O ATOM 764 CB ARG A 53 -8.258 1.275 17.536 1.00 0.00 C ATOM 765 CG ARG A 53 -7.278 0.335 16.832 1.00 0.00 C ATOM 766 CD ARG A 53 -7.835 -0.128 15.483 1.00 0.00 C ATOM 767 NE ARG A 53 -9.171 -0.736 15.669 1.00 0.00 N ATOM 768 CZ ARG A 53 -9.842 -1.385 14.708 1.00 0.00 C ATOM 769 NH1 ARG A 53 -9.303 -1.516 13.488 1.00 0.00 N ATOM 770 NH2 ARG A 53 -11.050 -1.904 14.966 1.00 0.00 N ATOM 0 H ARG A 53 -9.315 3.181 18.803 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.828 2.819 17.954 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.356 0.986 18.583 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.246 1.180 17.085 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.326 0.843 16.681 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.081 -0.531 17.464 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.903 0.718 14.799 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.157 -0.851 15.029 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.609 -0.656 16.587 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.383 -1.122 13.292 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.813 -2.010 12.756 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.460 -1.805 15.895 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.560 -2.398 14.234 1.00 0.00 H new ATOM 781 N ARG A 54 -8.667 2.830 15.203 1.00 0.00 N ATOM 782 CA ARG A 54 -8.655 3.141 13.783 1.00 0.00 C ATOM 783 C ARG A 54 -9.339 4.484 13.527 1.00 0.00 C ATOM 784 O ARG A 54 -8.743 5.387 12.941 1.00 0.00 O ATOM 785 CB ARG A 54 -9.365 2.052 12.976 1.00 0.00 C ATOM 786 CG ARG A 54 -8.645 1.796 11.650 1.00 0.00 C ATOM 787 CD ARG A 54 -7.378 0.964 11.867 1.00 0.00 C ATOM 788 NE ARG A 54 -6.233 1.599 11.177 1.00 0.00 N ATOM 789 CZ ARG A 54 -6.170 1.801 9.855 1.00 0.00 C ATOM 790 NH1 ARG A 54 -7.187 1.421 9.069 1.00 0.00 N ATOM 791 NH2 ARG A 54 -5.091 2.384 9.316 1.00 0.00 N ATOM 0 H ARG A 54 -9.525 2.390 15.536 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.614 3.194 13.464 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.404 1.131 13.557 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.395 2.351 12.783 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.313 1.276 10.964 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.385 2.746 11.183 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.168 0.877 12.933 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.527 -0.047 11.488 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.442 1.902 11.745 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.010 0.978 9.478 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.138 1.575 8.062 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.317 2.674 9.913 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.044 2.537 8.309 1.00 0.00 H new ATOM 802 N LEU A 55 -10.581 4.575 13.979 1.00 0.00 N ATOM 803 CA LEU A 55 -11.354 5.793 13.807 1.00 0.00 C ATOM 804 C LEU A 55 -11.971 5.808 12.406 1.00 0.00 C ATOM 805 O LEU A 55 -12.319 6.867 11.888 1.00 0.00 O ATOM 806 CB LEU A 55 -10.493 7.021 14.112 1.00 0.00 C ATOM 807 CG LEU A 55 -11.251 8.290 14.508 1.00 0.00 C ATOM 808 CD1 LEU A 55 -10.547 9.013 15.657 1.00 0.00 C ATOM 809 CD2 LEU A 55 -11.460 9.203 13.298 1.00 0.00 C ATOM 0 H LEU A 55 -11.072 3.824 14.465 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.179 5.824 14.519 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.805 6.766 14.918 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.887 7.243 13.233 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.238 8.000 14.867 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.106 9.911 15.919 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.493 8.354 16.523 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.539 9.290 15.349 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.001 10.098 13.606 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.492 9.488 12.886 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.036 8.674 12.539 1.00 0.00 H new ATOM 820 N PHE A 56 -12.087 4.618 11.834 1.00 0.00 N ATOM 821 CA PHE A 56 -12.656 4.480 10.505 1.00 0.00 C ATOM 822 C PHE A 56 -13.343 3.123 10.340 1.00 0.00 C ATOM 823 O PHE A 56 -14.450 3.044 9.808 1.00 0.00 O ATOM 824 CB PHE A 56 -11.496 4.575 9.510 1.00 0.00 C ATOM 825 CG PHE A 56 -11.777 5.483 8.311 1.00 0.00 C ATOM 826 CD1 PHE A 56 -11.762 6.835 8.465 1.00 0.00 C ATOM 827 CD2 PHE A 56 -12.040 4.941 7.093 1.00 0.00 C ATOM 828 CE1 PHE A 56 -12.022 7.679 7.353 1.00 0.00 C ATOM 829 CE2 PHE A 56 -12.299 5.784 5.981 1.00 0.00 C ATOM 830 CZ PHE A 56 -12.285 7.136 6.134 1.00 0.00 C ATOM 0 H PHE A 56 -11.797 3.741 12.267 1.00 0.00 H new ATOM 0 HA PHE A 56 -13.402 5.257 10.337 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.612 4.943 10.032 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -11.259 3.575 9.148 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -11.552 7.266 9.433 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -12.052 3.868 6.971 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -12.011 8.752 7.475 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -12.507 5.352 5.013 1.00 0.00 H new ATOM 0 HZ PHE A 56 -12.483 7.778 5.288 1.00 0.00 H new ATOM 839 N LEU A 57 -12.659 2.089 10.807 1.00 0.00 N ATOM 840 CA LEU A 57 -13.191 0.739 10.718 1.00 0.00 C ATOM 841 C LEU A 57 -14.698 0.771 10.976 1.00 0.00 C ATOM 842 O LEU A 57 -15.444 -0.035 10.422 1.00 0.00 O ATOM 843 CB LEU A 57 -12.425 -0.200 11.652 1.00 0.00 C ATOM 844 CG LEU A 57 -12.029 -1.556 11.063 1.00 0.00 C ATOM 845 CD1 LEU A 57 -10.569 -1.549 10.605 1.00 0.00 C ATOM 846 CD2 LEU A 57 -12.314 -2.687 12.053 1.00 0.00 C ATOM 0 H LEU A 57 -11.742 2.158 11.248 1.00 0.00 H new ATOM 0 HA LEU A 57 -13.049 0.338 9.714 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.519 0.308 11.983 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -13.035 -0.375 12.538 1.00 0.00 H new ATOM 0 HG LEU A 57 -12.642 -1.738 10.180 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.313 -2.524 10.191 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.431 -0.783 9.842 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.922 -1.335 11.456 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.024 -3.640 11.610 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.743 -2.523 12.967 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -13.378 -2.705 12.288 1.00 0.00 H new ATOM 857 N VAL A 58 -15.101 1.710 11.820 1.00 0.00 N ATOM 858 CA VAL A 58 -16.506 1.857 12.160 1.00 0.00 C ATOM 859 C VAL A 58 -17.139 0.472 12.304 1.00 0.00 C ATOM 860 O VAL A 58 -17.932 0.057 11.460 1.00 0.00 O ATOM 861 CB VAL A 58 -17.208 2.730 11.116 1.00 0.00 C ATOM 862 CG1 VAL A 58 -18.725 2.539 11.173 1.00 0.00 C ATOM 863 CG2 VAL A 58 -16.834 4.203 11.292 1.00 0.00 C ATOM 0 H VAL A 58 -14.479 2.376 12.278 1.00 0.00 H new ATOM 0 HA VAL A 58 -16.616 2.366 13.118 1.00 0.00 H new ATOM 0 HB VAL A 58 -16.867 2.413 10.130 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -19.200 3.170 10.422 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -18.968 1.495 10.976 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -19.090 2.816 12.162 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -17.346 4.801 10.538 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -17.133 4.538 12.285 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -15.756 4.321 11.178 1.00 0.00 H new ATOM 873 N ASP A 59 -16.766 -0.205 13.380 1.00 0.00 N ATOM 874 CA ASP A 59 -17.287 -1.535 13.646 1.00 0.00 C ATOM 875 C ASP A 59 -16.703 -2.519 12.632 1.00 0.00 C ATOM 876 O ASP A 59 -16.059 -3.498 13.010 1.00 0.00 O ATOM 877 CB ASP A 59 -18.811 -1.566 13.511 1.00 0.00 C ATOM 878 CG ASP A 59 -19.489 -2.793 14.123 1.00 0.00 C ATOM 879 OD1 ASP A 59 -19.039 -3.913 13.796 1.00 0.00 O ATOM 880 OD2 ASP A 59 -20.443 -2.584 14.904 1.00 0.00 O ATOM 0 H ASP A 59 -16.109 0.143 14.078 1.00 0.00 H new ATOM 0 HA ASP A 59 -17.009 -1.809 14.664 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.221 -0.671 13.980 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -19.068 -1.517 12.453 1.00 0.00 H new ATOM 884 N ASP A 60 -16.946 -2.227 11.362 1.00 0.00 N ATOM 885 CA ASP A 60 -16.451 -3.075 10.291 1.00 0.00 C ATOM 886 C ASP A 60 -17.123 -4.446 10.379 1.00 0.00 C ATOM 887 O ASP A 60 -17.875 -4.831 9.485 1.00 0.00 O ATOM 888 CB ASP A 60 -14.940 -3.281 10.405 1.00 0.00 C ATOM 889 CG ASP A 60 -14.253 -3.756 9.123 1.00 0.00 C ATOM 890 OD1 ASP A 60 -14.132 -2.920 8.201 1.00 0.00 O ATOM 891 OD2 ASP A 60 -13.865 -4.944 9.093 1.00 0.00 O ATOM 0 H ASP A 60 -17.479 -1.415 11.051 1.00 0.00 H new ATOM 0 HA ASP A 60 -16.678 -2.587 9.343 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.483 -2.342 10.718 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.746 -4.008 11.194 1.00 0.00 H new TER 895 ASP A 60