USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot 31:sc= 0.602 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 13 SER OG : rot 105:sc= 1.01 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.28! C(o=-2.3!,f=-4.3!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 94:sc= 0.44 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -141:sc= -5.94! (180deg=-9.11!) USER MOD Single : A 60 TYR OH : rot -155:sc= 1.24 USER MOD Single : A 64 SER OG : rot -83:sc= 0.942 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 22 GLN : amide:sc= -0.264 K(o=-0.26,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 1.071 -8.193 9.032 1.00 0.00 N ATOM 67 CA THR A 6 2.225 -8.318 9.969 1.00 0.00 C ATOM 68 C THR A 6 3.295 -9.234 9.369 1.00 0.00 C ATOM 69 O THR A 6 4.377 -8.801 9.029 1.00 0.00 O ATOM 70 CB THR A 6 1.640 -8.935 11.240 1.00 0.00 C ATOM 71 OG1 THR A 6 0.417 -8.285 11.559 1.00 0.00 O ATOM 72 CG2 THR A 6 2.629 -8.761 12.394 1.00 0.00 C ATOM 0 HA THR A 6 2.703 -7.358 10.166 1.00 0.00 H new ATOM 0 HB THR A 6 1.456 -9.997 11.079 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.021 -7.988 10.734 1.00 0.00 H new ATOM 0 HG21 THR A 6 2.212 -9.201 13.300 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.567 -9.259 12.148 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.814 -7.699 12.558 1.00 0.00 H new ATOM 80 N ALA A 7 2.998 -10.497 9.232 1.00 0.00 N ATOM 81 CA ALA A 7 3.997 -11.438 8.650 1.00 0.00 C ATOM 82 C ALA A 7 4.277 -11.058 7.194 1.00 0.00 C ATOM 83 O ALA A 7 5.412 -10.990 6.767 1.00 0.00 O ATOM 84 CB ALA A 7 3.341 -12.816 8.731 1.00 0.00 C ATOM 0 H ALA A 7 2.108 -10.918 9.498 1.00 0.00 H new ATOM 0 HA ALA A 7 4.950 -11.415 9.178 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.017 -13.566 8.320 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.124 -13.055 9.772 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.413 -12.812 8.159 1.00 0.00 H new ATOM 90 N GLU A 8 3.248 -10.800 6.434 1.00 0.00 N ATOM 91 CA GLU A 8 3.451 -10.415 5.011 1.00 0.00 C ATOM 92 C GLU A 8 4.339 -9.171 4.930 1.00 0.00 C ATOM 93 O GLU A 8 5.155 -9.034 4.040 1.00 0.00 O ATOM 94 CB GLU A 8 2.050 -10.112 4.476 1.00 0.00 C ATOM 95 CG GLU A 8 2.008 -10.383 2.971 1.00 0.00 C ATOM 96 CD GLU A 8 2.466 -9.135 2.214 1.00 0.00 C ATOM 97 OE1 GLU A 8 1.969 -8.064 2.523 1.00 0.00 O ATOM 98 OE2 GLU A 8 3.304 -9.270 1.339 1.00 0.00 O ATOM 0 H GLU A 8 2.275 -10.840 6.738 1.00 0.00 H new ATOM 0 HA GLU A 8 3.943 -11.198 4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.312 -10.730 4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.790 -9.073 4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.652 -11.227 2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.997 -10.654 2.668 1.00 0.00 H new ATOM 105 N GLN A 9 4.186 -8.262 5.855 1.00 0.00 N ATOM 106 CA GLN A 9 5.021 -7.027 5.834 1.00 0.00 C ATOM 107 C GLN A 9 6.501 -7.390 5.973 1.00 0.00 C ATOM 108 O GLN A 9 7.343 -6.894 5.249 1.00 0.00 O ATOM 109 CB GLN A 9 4.554 -6.211 7.040 1.00 0.00 C ATOM 110 CG GLN A 9 4.907 -4.738 6.827 1.00 0.00 C ATOM 111 CD GLN A 9 4.427 -3.919 8.027 1.00 0.00 C ATOM 112 OE1 GLN A 9 3.601 -4.372 8.795 1.00 0.00 O ATOM 113 NE2 GLN A 9 4.914 -2.724 8.222 1.00 0.00 N ATOM 0 H GLN A 9 3.519 -8.321 6.624 1.00 0.00 H new ATOM 0 HA GLN A 9 4.915 -6.472 4.902 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.478 -6.322 7.173 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.028 -6.582 7.949 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.984 -4.625 6.704 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.442 -4.370 5.913 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.607 -2.344 7.577 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.601 -2.170 9.019 1.00 0.00 H new ATOM 122 N VAL A 10 6.828 -8.257 6.892 1.00 0.00 N ATOM 123 CA VAL A 10 8.254 -8.653 7.067 1.00 0.00 C ATOM 124 C VAL A 10 8.784 -9.264 5.768 1.00 0.00 C ATOM 125 O VAL A 10 9.887 -8.985 5.342 1.00 0.00 O ATOM 126 CB VAL A 10 8.244 -9.691 8.187 1.00 0.00 C ATOM 127 CG1 VAL A 10 9.621 -10.350 8.288 1.00 0.00 C ATOM 128 CG2 VAL A 10 7.910 -9.005 9.514 1.00 0.00 C ATOM 0 H VAL A 10 6.170 -8.708 7.528 1.00 0.00 H new ATOM 0 HA VAL A 10 8.896 -7.806 7.309 1.00 0.00 H new ATOM 0 HB VAL A 10 7.494 -10.451 7.970 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.612 -11.091 9.088 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.861 -10.839 7.344 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.373 -9.591 8.505 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.903 -9.745 10.314 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.661 -8.245 9.730 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.928 -8.536 9.444 1.00 0.00 H new ATOM 138 N ILE A 11 7.999 -10.088 5.130 1.00 0.00 N ATOM 139 CA ILE A 11 8.443 -10.710 3.852 1.00 0.00 C ATOM 140 C ILE A 11 8.606 -9.624 2.790 1.00 0.00 C ATOM 141 O ILE A 11 9.612 -9.550 2.113 1.00 0.00 O ATOM 142 CB ILE A 11 7.325 -11.679 3.472 1.00 0.00 C ATOM 143 CG1 ILE A 11 7.161 -12.724 4.577 1.00 0.00 C ATOM 144 CG2 ILE A 11 7.678 -12.378 2.158 1.00 0.00 C ATOM 145 CD1 ILE A 11 5.897 -13.546 4.323 1.00 0.00 C ATOM 0 H ILE A 11 7.066 -10.358 5.441 1.00 0.00 H new ATOM 0 HA ILE A 11 9.401 -11.223 3.941 1.00 0.00 H new ATOM 0 HB ILE A 11 6.393 -11.128 3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.033 -13.378 4.605 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.099 -12.234 5.549 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.880 -13.069 1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.796 -11.634 1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.610 -12.930 2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.782 -14.290 5.111 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.029 -12.887 4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.977 -14.048 3.359 1.00 0.00 H new ATOM 157 N ALA A 12 7.632 -8.767 2.652 1.00 0.00 N ATOM 158 CA ALA A 12 7.746 -7.674 1.647 1.00 0.00 C ATOM 159 C ALA A 12 8.998 -6.855 1.951 1.00 0.00 C ATOM 160 O ALA A 12 9.727 -6.459 1.064 1.00 0.00 O ATOM 161 CB ALA A 12 6.486 -6.827 1.826 1.00 0.00 C ATOM 0 H ALA A 12 6.765 -8.776 3.190 1.00 0.00 H new ATOM 0 HA ALA A 12 7.829 -8.042 0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.500 -6.000 1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.605 -7.443 1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.453 -6.433 2.842 1.00 0.00 H new ATOM 167 N SER A 13 9.262 -6.619 3.207 1.00 0.00 N ATOM 168 CA SER A 13 10.479 -5.848 3.578 1.00 0.00 C ATOM 169 C SER A 13 11.716 -6.675 3.226 1.00 0.00 C ATOM 170 O SER A 13 12.670 -6.176 2.665 1.00 0.00 O ATOM 171 CB SER A 13 10.378 -5.643 5.089 1.00 0.00 C ATOM 172 OG SER A 13 9.069 -5.195 5.414 1.00 0.00 O ATOM 0 H SER A 13 8.687 -6.927 3.991 1.00 0.00 H new ATOM 0 HA SER A 13 10.556 -4.896 3.054 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.596 -6.575 5.610 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.117 -4.913 5.419 1.00 0.00 H new ATOM 0 HG SER A 13 8.561 -5.931 5.814 1.00 0.00 H new ATOM 178 N PHE A 14 11.694 -7.944 3.536 1.00 0.00 N ATOM 179 CA PHE A 14 12.860 -8.812 3.201 1.00 0.00 C ATOM 180 C PHE A 14 12.969 -8.948 1.683 1.00 0.00 C ATOM 181 O PHE A 14 14.044 -8.904 1.120 1.00 0.00 O ATOM 182 CB PHE A 14 12.553 -10.162 3.847 1.00 0.00 C ATOM 183 CG PHE A 14 13.036 -10.155 5.277 1.00 0.00 C ATOM 184 CD1 PHE A 14 14.336 -9.724 5.575 1.00 0.00 C ATOM 185 CD2 PHE A 14 12.186 -10.577 6.306 1.00 0.00 C ATOM 186 CE1 PHE A 14 14.783 -9.716 6.902 1.00 0.00 C ATOM 187 CE2 PHE A 14 12.633 -10.569 7.633 1.00 0.00 C ATOM 188 CZ PHE A 14 13.931 -10.138 7.930 1.00 0.00 C ATOM 0 H PHE A 14 10.921 -8.416 4.005 1.00 0.00 H new ATOM 0 HA PHE A 14 13.806 -8.406 3.560 1.00 0.00 H new ATOM 0 HB2 PHE A 14 11.481 -10.358 3.815 1.00 0.00 H new ATOM 0 HB3 PHE A 14 13.040 -10.963 3.291 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.992 -9.398 4.782 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.184 -10.909 6.076 1.00 0.00 H new ATOM 0 HE1 PHE A 14 15.785 -9.384 7.133 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.977 -10.895 8.426 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.276 -10.131 8.953 1.00 0.00 H new ATOM 198 N ARG A 15 11.858 -9.096 1.016 1.00 0.00 N ATOM 199 CA ARG A 15 11.894 -9.217 -0.467 1.00 0.00 C ATOM 200 C ARG A 15 12.678 -8.041 -1.049 1.00 0.00 C ATOM 201 O ARG A 15 13.460 -8.193 -1.966 1.00 0.00 O ATOM 202 CB ARG A 15 10.428 -9.152 -0.901 1.00 0.00 C ATOM 203 CG ARG A 15 10.192 -10.116 -2.066 1.00 0.00 C ATOM 204 CD ARG A 15 8.794 -9.880 -2.642 1.00 0.00 C ATOM 205 NE ARG A 15 8.667 -10.854 -3.762 1.00 0.00 N ATOM 206 CZ ARG A 15 7.574 -10.895 -4.475 1.00 0.00 C ATOM 207 NH1 ARG A 15 6.586 -10.083 -4.209 1.00 0.00 N ATOM 208 NH2 ARG A 15 7.468 -11.749 -5.454 1.00 0.00 N ATOM 0 H ARG A 15 10.928 -9.138 1.434 1.00 0.00 H new ATOM 0 HA ARG A 15 12.376 -10.134 -0.808 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.779 -9.411 -0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.172 -8.136 -1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.946 -9.964 -2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.288 -11.147 -1.725 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.024 -10.044 -1.888 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.681 -8.855 -2.996 1.00 0.00 H new ATOM 0 HE ARG A 15 9.436 -11.490 -3.972 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.667 -9.415 -3.443 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.733 -10.117 -4.768 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.238 -12.384 -5.662 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.615 -11.782 -6.012 1.00 0.00 H new ATOM 222 N ILE A 16 12.475 -6.866 -0.515 1.00 0.00 N ATOM 223 CA ILE A 16 13.208 -5.673 -1.026 1.00 0.00 C ATOM 224 C ILE A 16 14.711 -5.826 -0.772 1.00 0.00 C ATOM 225 O ILE A 16 15.527 -5.543 -1.628 1.00 0.00 O ATOM 226 CB ILE A 16 12.644 -4.495 -0.232 1.00 0.00 C ATOM 227 CG1 ILE A 16 11.254 -4.143 -0.764 1.00 0.00 C ATOM 228 CG2 ILE A 16 13.568 -3.285 -0.380 1.00 0.00 C ATOM 229 CD1 ILE A 16 10.548 -3.213 0.225 1.00 0.00 C ATOM 0 H ILE A 16 11.832 -6.681 0.255 1.00 0.00 H new ATOM 0 HA ILE A 16 13.082 -5.538 -2.100 1.00 0.00 H new ATOM 0 HB ILE A 16 12.574 -4.769 0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.337 -3.660 -1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.668 -5.051 -0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 16 13.163 -2.447 0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 16 14.559 -3.535 -0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.641 -3.010 -1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.557 -2.962 -0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.451 -3.713 1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.132 -2.300 0.346 1.00 0.00 H new ATOM 241 N LEU A 17 15.087 -6.271 0.398 1.00 0.00 N ATOM 242 CA LEU A 17 16.539 -6.441 0.696 1.00 0.00 C ATOM 243 C LEU A 17 17.148 -7.487 -0.238 1.00 0.00 C ATOM 244 O LEU A 17 18.243 -7.324 -0.741 1.00 0.00 O ATOM 245 CB LEU A 17 16.601 -6.928 2.145 1.00 0.00 C ATOM 246 CG LEU A 17 15.809 -5.980 3.047 1.00 0.00 C ATOM 247 CD1 LEU A 17 16.157 -6.261 4.510 1.00 0.00 C ATOM 248 CD2 LEU A 17 16.171 -4.531 2.711 1.00 0.00 C ATOM 0 H LEU A 17 14.454 -6.523 1.157 1.00 0.00 H new ATOM 0 HA LEU A 17 17.096 -5.515 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 17 16.194 -7.937 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 17 17.638 -6.978 2.477 1.00 0.00 H new ATOM 0 HG LEU A 17 14.742 -6.135 2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.593 -5.586 5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.902 -7.292 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 17 17.224 -6.105 4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.606 -3.856 3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 17 17.238 -4.376 2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 17 15.927 -4.327 1.668 1.00 0.00 H new ATOM 260 N ALA A 18 16.448 -8.562 -0.472 1.00 0.00 N ATOM 261 CA ALA A 18 16.987 -9.621 -1.373 1.00 0.00 C ATOM 262 C ALA A 18 16.701 -9.270 -2.836 1.00 0.00 C ATOM 263 O ALA A 18 16.836 -10.094 -3.719 1.00 0.00 O ATOM 264 CB ALA A 18 16.248 -10.896 -0.971 1.00 0.00 C ATOM 0 H ALA A 18 15.526 -8.754 -0.079 1.00 0.00 H new ATOM 0 HA ALA A 18 18.068 -9.731 -1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.590 -11.725 -1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.450 -11.119 0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 18 15.176 -10.755 -1.112 1.00 0.00 H new ATOM 270 N SER A 19 16.309 -8.055 -3.100 1.00 0.00 N ATOM 271 CA SER A 19 16.017 -7.652 -4.507 1.00 0.00 C ATOM 272 C SER A 19 14.805 -8.422 -5.039 1.00 0.00 C ATOM 273 O SER A 19 14.885 -9.110 -6.038 1.00 0.00 O ATOM 274 CB SER A 19 17.273 -8.022 -5.292 1.00 0.00 C ATOM 275 OG SER A 19 17.582 -6.976 -6.203 1.00 0.00 O ATOM 0 H SER A 19 16.178 -7.322 -2.403 1.00 0.00 H new ATOM 0 HA SER A 19 15.780 -6.591 -4.592 1.00 0.00 H new ATOM 0 HB2 SER A 19 18.108 -8.184 -4.610 1.00 0.00 H new ATOM 0 HB3 SER A 19 17.117 -8.956 -5.832 1.00 0.00 H new ATOM 0 HG SER A 19 18.389 -7.209 -6.708 1.00 0.00 H new ATOM 281 N ASP A 20 13.684 -8.309 -4.382 1.00 0.00 N ATOM 282 CA ASP A 20 12.467 -9.032 -4.852 1.00 0.00 C ATOM 283 C ASP A 20 12.750 -10.532 -4.978 1.00 0.00 C ATOM 284 O ASP A 20 12.693 -11.095 -6.054 1.00 0.00 O ATOM 285 CB ASP A 20 12.154 -8.430 -6.222 1.00 0.00 C ATOM 286 CG ASP A 20 11.276 -7.189 -6.047 1.00 0.00 C ATOM 287 OD1 ASP A 20 11.745 -6.236 -5.448 1.00 0.00 O ATOM 288 OD2 ASP A 20 10.149 -7.214 -6.514 1.00 0.00 O ATOM 0 H ASP A 20 13.557 -7.748 -3.540 1.00 0.00 H new ATOM 0 HA ASP A 20 11.634 -8.926 -4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.079 -8.165 -6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.644 -9.164 -6.845 1.00 0.00 H new ATOM 293 N LYS A 21 13.054 -11.184 -3.889 1.00 0.00 N ATOM 294 CA LYS A 21 13.337 -12.646 -3.948 1.00 0.00 C ATOM 295 C LYS A 21 12.878 -13.321 -2.655 1.00 0.00 C ATOM 296 O LYS A 21 12.990 -12.756 -1.585 1.00 0.00 O ATOM 297 CB LYS A 21 14.854 -12.749 -4.100 1.00 0.00 C ATOM 298 CG LYS A 21 15.253 -12.328 -5.516 1.00 0.00 C ATOM 299 CD LYS A 21 16.473 -13.136 -5.964 1.00 0.00 C ATOM 300 CE LYS A 21 17.291 -12.309 -6.959 1.00 0.00 C ATOM 301 NZ LYS A 21 16.696 -12.614 -8.291 1.00 0.00 N ATOM 0 H LYS A 21 13.119 -10.767 -2.960 1.00 0.00 H new ATOM 0 HA LYS A 21 12.813 -13.138 -4.767 1.00 0.00 H new ATOM 0 HB2 LYS A 21 15.348 -12.112 -3.367 1.00 0.00 H new ATOM 0 HB3 LYS A 21 15.181 -13.771 -3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.423 -12.492 -6.203 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.481 -11.262 -5.539 1.00 0.00 H new ATOM 0 HD2 LYS A 21 17.086 -13.399 -5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.155 -14.071 -6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.229 -11.244 -6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 21 18.346 -12.581 -6.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.204 -12.084 -9.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.775 -13.633 -8.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.693 -12.338 -8.295 1.00 0.00 H new ATOM 315 N PRO A 22 12.378 -14.517 -2.803 1.00 0.00 N ATOM 316 CA PRO A 22 11.910 -15.254 -1.600 1.00 0.00 C ATOM 317 C PRO A 22 13.109 -15.731 -0.775 1.00 0.00 C ATOM 318 O PRO A 22 12.957 -16.335 0.268 1.00 0.00 O ATOM 319 CB PRO A 22 11.125 -16.444 -2.155 1.00 0.00 C ATOM 320 CG PRO A 22 11.522 -16.550 -3.591 1.00 0.00 C ATOM 321 CD PRO A 22 11.945 -15.179 -4.037 1.00 0.00 C ATOM 0 HA PRO A 22 11.301 -14.636 -0.940 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.364 -17.359 -1.613 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.051 -16.286 -2.055 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.337 -17.263 -3.713 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.689 -16.911 -4.195 1.00 0.00 H new ATOM 0 HD2 PRO A 22 12.753 -15.229 -4.767 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.122 -14.642 -4.509 1.00 0.00 H new ATOM 329 N TYR A 23 14.302 -15.460 -1.234 1.00 0.00 N ATOM 330 CA TYR A 23 15.510 -15.894 -0.475 1.00 0.00 C ATOM 331 C TYR A 23 16.475 -14.716 -0.315 1.00 0.00 C ATOM 332 O TYR A 23 16.532 -13.833 -1.147 1.00 0.00 O ATOM 333 CB TYR A 23 16.141 -16.995 -1.328 1.00 0.00 C ATOM 334 CG TYR A 23 15.074 -17.976 -1.753 1.00 0.00 C ATOM 335 CD1 TYR A 23 14.165 -18.471 -0.811 1.00 0.00 C ATOM 336 CD2 TYR A 23 14.995 -18.390 -3.087 1.00 0.00 C ATOM 337 CE1 TYR A 23 13.174 -19.380 -1.204 1.00 0.00 C ATOM 338 CE2 TYR A 23 14.005 -19.300 -3.480 1.00 0.00 C ATOM 339 CZ TYR A 23 13.096 -19.795 -2.538 1.00 0.00 C ATOM 340 OH TYR A 23 12.121 -20.691 -2.927 1.00 0.00 O ATOM 0 H TYR A 23 14.492 -14.957 -2.101 1.00 0.00 H new ATOM 0 HA TYR A 23 15.268 -16.248 0.527 1.00 0.00 H new ATOM 0 HB2 TYR A 23 16.621 -16.560 -2.205 1.00 0.00 H new ATOM 0 HB3 TYR A 23 16.918 -17.509 -0.761 1.00 0.00 H new ATOM 0 HD1 TYR A 23 14.227 -18.152 0.219 1.00 0.00 H new ATOM 0 HD2 TYR A 23 15.697 -18.008 -3.814 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.471 -19.760 -0.478 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.943 -19.620 -4.510 1.00 0.00 H new ATOM 0 HH TYR A 23 12.207 -20.872 -3.886 1.00 0.00 H new ATOM 350 N ILE A 24 17.234 -14.692 0.748 1.00 0.00 N ATOM 351 CA ILE A 24 18.188 -13.563 0.951 1.00 0.00 C ATOM 352 C ILE A 24 19.552 -14.100 1.403 1.00 0.00 C ATOM 353 O ILE A 24 19.638 -15.074 2.124 1.00 0.00 O ATOM 354 CB ILE A 24 17.531 -12.688 2.032 1.00 0.00 C ATOM 355 CG1 ILE A 24 17.934 -11.221 1.821 1.00 0.00 C ATOM 356 CG2 ILE A 24 17.951 -13.149 3.433 1.00 0.00 C ATOM 357 CD1 ILE A 24 19.334 -10.971 2.392 1.00 0.00 C ATOM 0 H ILE A 24 17.235 -15.401 1.481 1.00 0.00 H new ATOM 0 HA ILE A 24 18.376 -12.994 0.040 1.00 0.00 H new ATOM 0 HB ILE A 24 16.448 -12.784 1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 24 17.918 -10.981 0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 24 17.212 -10.564 2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.475 -12.516 4.182 1.00 0.00 H new ATOM 0 HG22 ILE A 24 17.643 -14.184 3.583 1.00 0.00 H new ATOM 0 HG23 ILE A 24 19.034 -13.075 3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.609 -9.928 2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 24 19.336 -11.192 3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 24 20.053 -11.615 1.887 1.00 0.00 H new ATOM 369 N LEU A 25 20.616 -13.473 0.982 1.00 0.00 N ATOM 370 CA LEU A 25 21.970 -13.949 1.384 1.00 0.00 C ATOM 371 C LEU A 25 22.300 -13.461 2.795 1.00 0.00 C ATOM 372 O LEU A 25 21.797 -12.452 3.249 1.00 0.00 O ATOM 373 CB LEU A 25 22.927 -13.324 0.367 1.00 0.00 C ATOM 374 CG LEU A 25 22.704 -13.956 -1.009 1.00 0.00 C ATOM 375 CD1 LEU A 25 21.978 -12.962 -1.917 1.00 0.00 C ATOM 376 CD2 LEU A 25 24.057 -14.314 -1.628 1.00 0.00 C ATOM 0 H LEU A 25 20.606 -12.652 0.377 1.00 0.00 H new ATOM 0 HA LEU A 25 22.040 -15.037 1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 25 22.764 -12.248 0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 25 23.959 -13.475 0.684 1.00 0.00 H new ATOM 0 HG LEU A 25 22.100 -14.857 -0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 25 21.820 -13.413 -2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 25 21.015 -12.703 -1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 25 22.581 -12.061 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 25 23.901 -14.764 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 25 24.658 -13.411 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 25 24.577 -15.022 -0.982 1.00 0.00 H new ATOM 388 N ALA A 26 23.141 -14.171 3.494 1.00 0.00 N ATOM 389 CA ALA A 26 23.504 -13.749 4.877 1.00 0.00 C ATOM 390 C ALA A 26 24.282 -12.431 4.837 1.00 0.00 C ATOM 391 O ALA A 26 24.016 -11.520 5.596 1.00 0.00 O ATOM 392 CB ALA A 26 24.379 -14.876 5.422 1.00 0.00 C ATOM 0 H ALA A 26 23.593 -15.025 3.168 1.00 0.00 H new ATOM 0 HA ALA A 26 22.627 -13.581 5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 26 24.687 -14.638 6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 26 23.813 -15.808 5.423 1.00 0.00 H new ATOM 0 HB3 ALA A 26 25.262 -14.988 4.793 1.00 0.00 H new ATOM 398 N GLU A 27 25.236 -12.317 3.954 1.00 0.00 N ATOM 399 CA GLU A 27 26.019 -11.053 3.869 1.00 0.00 C ATOM 400 C GLU A 27 25.082 -9.887 3.556 1.00 0.00 C ATOM 401 O GLU A 27 25.245 -8.794 4.058 1.00 0.00 O ATOM 402 CB GLU A 27 27.007 -11.274 2.727 1.00 0.00 C ATOM 403 CG GLU A 27 27.797 -9.988 2.474 1.00 0.00 C ATOM 404 CD GLU A 27 27.559 -9.516 1.038 1.00 0.00 C ATOM 405 OE1 GLU A 27 26.505 -8.955 0.788 1.00 0.00 O ATOM 406 OE2 GLU A 27 28.435 -9.725 0.215 1.00 0.00 O ATOM 0 H GLU A 27 25.506 -13.042 3.290 1.00 0.00 H new ATOM 0 HA GLU A 27 26.530 -10.813 4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 27 27.688 -12.088 2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 27 26.473 -11.569 1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 27 27.489 -9.215 3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 27 28.860 -10.163 2.639 1.00 0.00 H new ATOM 413 N GLU A 28 24.090 -10.117 2.740 1.00 0.00 N ATOM 414 CA GLU A 28 23.136 -9.022 2.412 1.00 0.00 C ATOM 415 C GLU A 28 22.495 -8.512 3.701 1.00 0.00 C ATOM 416 O GLU A 28 22.286 -7.329 3.880 1.00 0.00 O ATOM 417 CB GLU A 28 22.086 -9.664 1.503 1.00 0.00 C ATOM 418 CG GLU A 28 22.512 -9.511 0.041 1.00 0.00 C ATOM 419 CD GLU A 28 21.442 -8.729 -0.721 1.00 0.00 C ATOM 420 OE1 GLU A 28 20.466 -9.339 -1.126 1.00 0.00 O ATOM 421 OE2 GLU A 28 21.616 -7.533 -0.887 1.00 0.00 O ATOM 0 H GLU A 28 23.900 -11.012 2.288 1.00 0.00 H new ATOM 0 HA GLU A 28 23.617 -8.173 1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 28 21.972 -10.719 1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 28 21.116 -9.193 1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.469 -8.992 -0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 28 22.653 -10.492 -0.413 1.00 0.00 H new ATOM 428 N LEU A 29 22.194 -9.401 4.608 1.00 0.00 N ATOM 429 CA LEU A 29 21.579 -8.975 5.896 1.00 0.00 C ATOM 430 C LEU A 29 22.539 -8.043 6.639 1.00 0.00 C ATOM 431 O LEU A 29 22.133 -7.080 7.258 1.00 0.00 O ATOM 432 CB LEU A 29 21.374 -10.269 6.684 1.00 0.00 C ATOM 433 CG LEU A 29 20.079 -10.946 6.233 1.00 0.00 C ATOM 434 CD1 LEU A 29 19.944 -12.300 6.930 1.00 0.00 C ATOM 435 CD2 LEU A 29 18.887 -10.062 6.604 1.00 0.00 C ATOM 0 H LEU A 29 22.348 -10.405 4.512 1.00 0.00 H new ATOM 0 HA LEU A 29 20.643 -8.434 5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 29 22.220 -10.939 6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 29 21.331 -10.053 7.752 1.00 0.00 H new ATOM 0 HG LEU A 29 20.102 -11.093 5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 29 19.021 -12.784 6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 29 20.794 -12.930 6.668 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.920 -12.153 8.010 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.963 -10.543 6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.864 -9.916 7.684 1.00 0.00 H new ATOM 0 HD23 LEU A 29 18.983 -9.095 6.110 1.00 0.00 H new ATOM 447 N ARG A 30 23.813 -8.321 6.576 1.00 0.00 N ATOM 448 CA ARG A 30 24.802 -7.453 7.273 1.00 0.00 C ATOM 449 C ARG A 30 24.866 -6.080 6.596 1.00 0.00 C ATOM 450 O ARG A 30 25.075 -5.069 7.235 1.00 0.00 O ATOM 451 CB ARG A 30 26.135 -8.189 7.128 1.00 0.00 C ATOM 452 CG ARG A 30 26.057 -9.533 7.856 1.00 0.00 C ATOM 453 CD ARG A 30 27.292 -10.372 7.515 1.00 0.00 C ATOM 454 NE ARG A 30 28.188 -10.232 8.698 1.00 0.00 N ATOM 455 CZ ARG A 30 27.946 -10.907 9.789 1.00 0.00 C ATOM 456 NH1 ARG A 30 26.919 -11.714 9.849 1.00 0.00 N ATOM 457 NH2 ARG A 30 28.731 -10.779 10.824 1.00 0.00 N ATOM 0 H ARG A 30 24.211 -9.113 6.071 1.00 0.00 H new ATOM 0 HA ARG A 30 24.543 -7.278 8.317 1.00 0.00 H new ATOM 0 HB2 ARG A 30 26.363 -8.347 6.074 1.00 0.00 H new ATOM 0 HB3 ARG A 30 26.943 -7.585 7.542 1.00 0.00 H new ATOM 0 HG2 ARG A 30 25.999 -9.373 8.933 1.00 0.00 H new ATOM 0 HG3 ARG A 30 25.151 -10.065 7.564 1.00 0.00 H new ATOM 0 HD2 ARG A 30 27.026 -11.415 7.342 1.00 0.00 H new ATOM 0 HD3 ARG A 30 27.776 -10.012 6.607 1.00 0.00 H new ATOM 0 HE ARG A 30 28.993 -9.607 8.655 1.00 0.00 H new ATOM 0 HH11 ARG A 30 26.304 -11.818 9.042 1.00 0.00 H new ATOM 0 HH12 ARG A 30 26.733 -12.240 10.703 1.00 0.00 H new ATOM 0 HH21 ARG A 30 29.534 -10.151 10.781 1.00 0.00 H new ATOM 0 HH22 ARG A 30 28.542 -11.307 11.676 1.00 0.00 H new ATOM 471 N ARG A 31 24.694 -6.041 5.303 1.00 0.00 N ATOM 472 CA ARG A 31 24.751 -4.739 4.577 1.00 0.00 C ATOM 473 C ARG A 31 23.376 -4.064 4.567 1.00 0.00 C ATOM 474 O ARG A 31 23.264 -2.869 4.381 1.00 0.00 O ATOM 475 CB ARG A 31 25.174 -5.104 3.155 1.00 0.00 C ATOM 476 CG ARG A 31 26.021 -3.975 2.568 1.00 0.00 C ATOM 477 CD ARG A 31 26.492 -4.365 1.166 1.00 0.00 C ATOM 478 NE ARG A 31 27.729 -3.566 0.944 1.00 0.00 N ATOM 479 CZ ARG A 31 27.648 -2.285 0.699 1.00 0.00 C ATOM 480 NH1 ARG A 31 26.481 -1.699 0.643 1.00 0.00 N ATOM 481 NH2 ARG A 31 28.736 -1.589 0.508 1.00 0.00 N ATOM 0 H ARG A 31 24.516 -6.856 4.716 1.00 0.00 H new ATOM 0 HA ARG A 31 25.440 -4.038 5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 31 25.743 -6.034 3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.294 -5.273 2.535 1.00 0.00 H new ATOM 0 HG2 ARG A 31 25.439 -3.055 2.524 1.00 0.00 H new ATOM 0 HG3 ARG A 31 26.880 -3.779 3.210 1.00 0.00 H new ATOM 0 HD2 ARG A 31 26.694 -5.434 1.100 1.00 0.00 H new ATOM 0 HD3 ARG A 31 25.734 -4.137 0.416 1.00 0.00 H new ATOM 0 HE ARG A 31 28.642 -4.020 0.983 1.00 0.00 H new ATOM 0 HH11 ARG A 31 25.630 -2.242 0.791 1.00 0.00 H new ATOM 0 HH12 ARG A 31 26.421 -0.699 0.452 1.00 0.00 H new ATOM 0 HH21 ARG A 31 29.647 -2.045 0.550 1.00 0.00 H new ATOM 0 HH22 ARG A 31 28.675 -0.589 0.317 1.00 0.00 H new ATOM 495 N GLU A 32 22.327 -4.817 4.756 1.00 0.00 N ATOM 496 CA GLU A 32 20.966 -4.208 4.745 1.00 0.00 C ATOM 497 C GLU A 32 20.472 -3.964 6.174 1.00 0.00 C ATOM 498 O GLU A 32 19.624 -3.127 6.411 1.00 0.00 O ATOM 499 CB GLU A 32 20.081 -5.235 4.040 1.00 0.00 C ATOM 500 CG GLU A 32 19.959 -4.873 2.558 1.00 0.00 C ATOM 501 CD GLU A 32 21.343 -4.906 1.908 1.00 0.00 C ATOM 502 OE1 GLU A 32 22.058 -3.925 2.033 1.00 0.00 O ATOM 503 OE2 GLU A 32 21.665 -5.910 1.294 1.00 0.00 O ATOM 0 H GLU A 32 22.353 -5.824 4.917 1.00 0.00 H new ATOM 0 HA GLU A 32 20.954 -3.241 4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.507 -6.233 4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 32 19.094 -5.258 4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 32 19.293 -5.574 2.055 1.00 0.00 H new ATOM 0 HG3 GLU A 32 19.519 -3.882 2.450 1.00 0.00 H new ATOM 510 N LEU A 33 20.987 -4.690 7.127 1.00 0.00 N ATOM 511 CA LEU A 33 20.540 -4.500 8.531 1.00 0.00 C ATOM 512 C LEU A 33 21.739 -4.193 9.430 1.00 0.00 C ATOM 513 O LEU A 33 22.870 -4.451 9.066 1.00 0.00 O ATOM 514 CB LEU A 33 19.917 -5.838 8.913 1.00 0.00 C ATOM 515 CG LEU A 33 18.426 -5.831 8.569 1.00 0.00 C ATOM 516 CD1 LEU A 33 17.969 -7.255 8.248 1.00 0.00 C ATOM 517 CD2 LEU A 33 17.626 -5.296 9.759 1.00 0.00 C ATOM 0 H LEU A 33 21.699 -5.407 6.992 1.00 0.00 H new ATOM 0 HA LEU A 33 19.843 -3.670 8.641 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.418 -6.648 8.383 1.00 0.00 H new ATOM 0 HB3 LEU A 33 20.053 -6.022 9.979 1.00 0.00 H new ATOM 0 HG LEU A 33 18.259 -5.191 7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 33 16.907 -7.250 8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.536 -7.636 7.398 1.00 0.00 H new ATOM 0 HD13 LEU A 33 18.138 -7.895 9.114 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.564 -5.292 9.512 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.794 -5.934 10.627 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.949 -4.280 9.988 1.00 0.00 H new ATOM 529 N PRO A 34 21.450 -3.658 10.584 1.00 0.00 N ATOM 530 CA PRO A 34 22.556 -3.341 11.522 1.00 0.00 C ATOM 531 C PRO A 34 23.278 -4.627 11.929 1.00 0.00 C ATOM 532 O PRO A 34 22.920 -5.703 11.495 1.00 0.00 O ATOM 533 CB PRO A 34 21.865 -2.701 12.723 1.00 0.00 C ATOM 534 CG PRO A 34 20.554 -2.207 12.206 1.00 0.00 C ATOM 535 CD PRO A 34 20.178 -3.082 11.041 1.00 0.00 C ATOM 0 HA PRO A 34 23.308 -2.683 11.086 1.00 0.00 H new ATOM 0 HB2 PRO A 34 21.724 -3.424 13.527 1.00 0.00 H new ATOM 0 HB3 PRO A 34 22.460 -1.884 13.130 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.792 -2.253 12.984 1.00 0.00 H new ATOM 0 HG3 PRO A 34 20.631 -1.165 11.896 1.00 0.00 H new ATOM 0 HD2 PRO A 34 19.475 -3.860 11.340 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.698 -2.505 10.251 1.00 0.00 H new ATOM 543 N PRO A 35 24.276 -4.470 12.754 1.00 0.00 N ATOM 544 CA PRO A 35 25.034 -5.668 13.201 1.00 0.00 C ATOM 545 C PRO A 35 24.127 -6.601 14.011 1.00 0.00 C ATOM 546 O PRO A 35 24.070 -7.790 13.771 1.00 0.00 O ATOM 547 CB PRO A 35 26.154 -5.108 14.079 1.00 0.00 C ATOM 548 CG PRO A 35 25.730 -3.720 14.430 1.00 0.00 C ATOM 549 CD PRO A 35 24.833 -3.240 13.326 1.00 0.00 C ATOM 0 HA PRO A 35 25.418 -6.254 12.366 1.00 0.00 H new ATOM 0 HB2 PRO A 35 26.291 -5.715 14.974 1.00 0.00 H new ATOM 0 HB3 PRO A 35 27.105 -5.105 13.547 1.00 0.00 H new ATOM 0 HG2 PRO A 35 25.205 -3.707 15.385 1.00 0.00 H new ATOM 0 HG3 PRO A 35 26.597 -3.067 14.534 1.00 0.00 H new ATOM 0 HD2 PRO A 35 24.048 -2.587 13.707 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.388 -2.670 12.581 1.00 0.00 H new ATOM 557 N ASP A 36 23.422 -6.069 14.971 1.00 0.00 N ATOM 558 CA ASP A 36 22.523 -6.923 15.802 1.00 0.00 C ATOM 559 C ASP A 36 21.374 -7.488 14.959 1.00 0.00 C ATOM 560 O ASP A 36 20.995 -8.634 15.103 1.00 0.00 O ATOM 561 CB ASP A 36 21.982 -5.990 16.885 1.00 0.00 C ATOM 562 CG ASP A 36 22.900 -6.040 18.109 1.00 0.00 C ATOM 563 OD1 ASP A 36 22.896 -7.055 18.785 1.00 0.00 O ATOM 564 OD2 ASP A 36 23.589 -5.063 18.348 1.00 0.00 O ATOM 0 H ASP A 36 23.429 -5.079 15.217 1.00 0.00 H new ATOM 0 HA ASP A 36 23.051 -7.780 16.221 1.00 0.00 H new ATOM 0 HB2 ASP A 36 21.921 -4.970 16.504 1.00 0.00 H new ATOM 0 HB3 ASP A 36 20.971 -6.287 17.163 1.00 0.00 H new ATOM 569 N GLN A 37 20.809 -6.696 14.089 1.00 0.00 N ATOM 570 CA GLN A 37 19.680 -7.195 13.253 1.00 0.00 C ATOM 571 C GLN A 37 20.178 -8.226 12.237 1.00 0.00 C ATOM 572 O GLN A 37 19.538 -9.230 11.994 1.00 0.00 O ATOM 573 CB GLN A 37 19.142 -5.954 12.542 1.00 0.00 C ATOM 574 CG GLN A 37 17.796 -5.558 13.154 1.00 0.00 C ATOM 575 CD GLN A 37 18.032 -4.792 14.457 1.00 0.00 C ATOM 576 OE1 GLN A 37 17.927 -3.582 14.491 1.00 0.00 O ATOM 577 NE2 GLN A 37 18.349 -5.451 15.538 1.00 0.00 N ATOM 0 H GLN A 37 21.080 -5.727 13.921 1.00 0.00 H new ATOM 0 HA GLN A 37 18.914 -7.691 13.849 1.00 0.00 H new ATOM 0 HB2 GLN A 37 19.852 -5.132 12.635 1.00 0.00 H new ATOM 0 HB3 GLN A 37 19.024 -6.154 11.477 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.234 -4.940 12.454 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.196 -6.448 13.347 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.437 -6.467 15.509 1.00 0.00 H new ATOM 0 HE22 GLN A 37 18.509 -4.950 16.412 1.00 0.00 H new ATOM 586 N ALA A 38 21.313 -7.989 11.641 1.00 0.00 N ATOM 587 CA ALA A 38 21.845 -8.958 10.640 1.00 0.00 C ATOM 588 C ALA A 38 22.213 -10.279 11.321 1.00 0.00 C ATOM 589 O ALA A 38 21.969 -11.348 10.796 1.00 0.00 O ATOM 590 CB ALA A 38 23.090 -8.287 10.060 1.00 0.00 C ATOM 0 H ALA A 38 21.895 -7.167 11.803 1.00 0.00 H new ATOM 0 HA ALA A 38 21.113 -9.195 9.868 1.00 0.00 H new ATOM 0 HB1 ALA A 38 23.541 -8.940 9.313 1.00 0.00 H new ATOM 0 HB2 ALA A 38 22.811 -7.342 9.595 1.00 0.00 H new ATOM 0 HB3 ALA A 38 23.808 -8.100 10.859 1.00 0.00 H new ATOM 596 N GLN A 39 22.802 -10.216 12.484 1.00 0.00 N ATOM 597 CA GLN A 39 23.188 -11.471 13.194 1.00 0.00 C ATOM 598 C GLN A 39 21.941 -12.261 13.604 1.00 0.00 C ATOM 599 O GLN A 39 21.845 -13.450 13.374 1.00 0.00 O ATOM 600 CB GLN A 39 23.955 -11.004 14.431 1.00 0.00 C ATOM 601 CG GLN A 39 24.964 -12.079 14.843 1.00 0.00 C ATOM 602 CD GLN A 39 25.727 -11.614 16.085 1.00 0.00 C ATOM 603 OE1 GLN A 39 26.166 -10.482 16.153 1.00 0.00 O ATOM 604 NE2 GLN A 39 25.905 -12.444 17.075 1.00 0.00 N ATOM 0 H GLN A 39 23.033 -9.351 12.974 1.00 0.00 H new ATOM 0 HA GLN A 39 23.785 -12.131 12.565 1.00 0.00 H new ATOM 0 HB2 GLN A 39 24.471 -10.068 14.220 1.00 0.00 H new ATOM 0 HB3 GLN A 39 23.262 -10.808 15.249 1.00 0.00 H new ATOM 0 HG2 GLN A 39 24.448 -13.017 15.050 1.00 0.00 H new ATOM 0 HG3 GLN A 39 25.660 -12.272 14.027 1.00 0.00 H new ATOM 0 HE21 GLN A 39 25.536 -13.393 17.017 1.00 0.00 H new ATOM 0 HE22 GLN A 39 26.413 -12.144 17.907 1.00 0.00 H new ATOM 613 N TYR A 40 20.989 -11.611 14.216 1.00 0.00 N ATOM 614 CA TYR A 40 19.753 -12.327 14.648 1.00 0.00 C ATOM 615 C TYR A 40 19.010 -12.899 13.436 1.00 0.00 C ATOM 616 O TYR A 40 18.575 -14.033 13.442 1.00 0.00 O ATOM 617 CB TYR A 40 18.904 -11.262 15.343 1.00 0.00 C ATOM 618 CG TYR A 40 18.293 -11.840 16.597 1.00 0.00 C ATOM 619 CD1 TYR A 40 17.061 -12.502 16.534 1.00 0.00 C ATOM 620 CD2 TYR A 40 18.957 -11.712 17.823 1.00 0.00 C ATOM 621 CE1 TYR A 40 16.493 -13.036 17.697 1.00 0.00 C ATOM 622 CE2 TYR A 40 18.389 -12.246 18.986 1.00 0.00 C ATOM 623 CZ TYR A 40 17.157 -12.908 18.923 1.00 0.00 C ATOM 624 OH TYR A 40 16.595 -13.433 20.070 1.00 0.00 O ATOM 0 H TYR A 40 21.013 -10.615 14.436 1.00 0.00 H new ATOM 0 HA TYR A 40 19.975 -13.169 15.304 1.00 0.00 H new ATOM 0 HB2 TYR A 40 19.519 -10.397 15.591 1.00 0.00 H new ATOM 0 HB3 TYR A 40 18.119 -10.913 14.672 1.00 0.00 H new ATOM 0 HD1 TYR A 40 16.549 -12.601 15.588 1.00 0.00 H new ATOM 0 HD2 TYR A 40 19.907 -11.201 17.872 1.00 0.00 H new ATOM 0 HE1 TYR A 40 15.543 -13.547 17.648 1.00 0.00 H new ATOM 0 HE2 TYR A 40 18.901 -12.147 19.932 1.00 0.00 H new ATOM 0 HH TYR A 40 17.185 -13.258 20.833 1.00 0.00 H new ATOM 634 N CYS A 41 18.855 -12.122 12.399 1.00 0.00 N ATOM 635 CA CYS A 41 18.134 -12.623 11.193 1.00 0.00 C ATOM 636 C CYS A 41 18.856 -13.837 10.602 1.00 0.00 C ATOM 637 O CYS A 41 18.242 -14.821 10.241 1.00 0.00 O ATOM 638 CB CYS A 41 18.157 -11.454 10.206 1.00 0.00 C ATOM 639 SG CYS A 41 17.034 -10.157 10.781 1.00 0.00 S ATOM 0 H CYS A 41 19.196 -11.163 12.334 1.00 0.00 H new ATOM 0 HA CYS A 41 17.119 -12.944 11.426 1.00 0.00 H new ATOM 0 HB2 CYS A 41 19.169 -11.060 10.116 1.00 0.00 H new ATOM 0 HB3 CYS A 41 17.859 -11.795 9.215 1.00 0.00 H new ATOM 0 HG CYS A 41 17.698 -9.289 11.486 1.00 0.00 H new ATOM 645 N ILE A 42 20.156 -13.775 10.496 1.00 0.00 N ATOM 646 CA ILE A 42 20.916 -14.924 9.923 1.00 0.00 C ATOM 647 C ILE A 42 20.713 -16.179 10.779 1.00 0.00 C ATOM 648 O ILE A 42 20.702 -17.287 10.279 1.00 0.00 O ATOM 649 CB ILE A 42 22.378 -14.485 9.957 1.00 0.00 C ATOM 650 CG1 ILE A 42 22.609 -13.402 8.899 1.00 0.00 C ATOM 651 CG2 ILE A 42 23.280 -15.685 9.660 1.00 0.00 C ATOM 652 CD1 ILE A 42 23.962 -12.731 9.142 1.00 0.00 C ATOM 0 H ILE A 42 20.725 -12.978 10.781 1.00 0.00 H new ATOM 0 HA ILE A 42 20.586 -15.174 8.915 1.00 0.00 H new ATOM 0 HB ILE A 42 22.614 -14.088 10.944 1.00 0.00 H new ATOM 0 HG12 ILE A 42 22.583 -13.841 7.902 1.00 0.00 H new ATOM 0 HG13 ILE A 42 21.811 -12.661 8.942 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.323 -15.371 9.684 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.116 -16.458 10.411 1.00 0.00 H new ATOM 0 HG23 ILE A 42 23.044 -16.082 8.673 1.00 0.00 H new ATOM 0 HD11 ILE A 42 24.126 -11.960 8.389 1.00 0.00 H new ATOM 0 HD12 ILE A 42 23.970 -12.278 10.133 1.00 0.00 H new ATOM 0 HD13 ILE A 42 24.755 -13.476 9.077 1.00 0.00 H new ATOM 664 N LYS A 43 20.555 -16.017 12.065 1.00 0.00 N ATOM 665 CA LYS A 43 20.357 -17.203 12.946 1.00 0.00 C ATOM 666 C LYS A 43 18.926 -17.734 12.811 1.00 0.00 C ATOM 667 O LYS A 43 18.656 -18.892 13.060 1.00 0.00 O ATOM 668 CB LYS A 43 20.607 -16.690 14.364 1.00 0.00 C ATOM 669 CG LYS A 43 21.233 -17.804 15.207 1.00 0.00 C ATOM 670 CD LYS A 43 22.465 -17.263 15.936 1.00 0.00 C ATOM 671 CE LYS A 43 23.202 -18.418 16.621 1.00 0.00 C ATOM 672 NZ LYS A 43 24.324 -18.758 15.702 1.00 0.00 N ATOM 0 H LYS A 43 20.554 -15.116 12.543 1.00 0.00 H new ATOM 0 HA LYS A 43 21.024 -18.025 12.686 1.00 0.00 H new ATOM 0 HB2 LYS A 43 21.268 -15.824 14.338 1.00 0.00 H new ATOM 0 HB3 LYS A 43 19.670 -16.362 14.814 1.00 0.00 H new ATOM 0 HG2 LYS A 43 20.507 -18.180 15.928 1.00 0.00 H new ATOM 0 HG3 LYS A 43 21.514 -18.643 14.570 1.00 0.00 H new ATOM 0 HD2 LYS A 43 23.128 -16.763 15.230 1.00 0.00 H new ATOM 0 HD3 LYS A 43 22.166 -16.519 16.675 1.00 0.00 H new ATOM 0 HE2 LYS A 43 23.572 -18.123 17.603 1.00 0.00 H new ATOM 0 HE3 LYS A 43 22.543 -19.273 16.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 24.876 -19.543 16.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 23.942 -19.041 14.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 24.939 -17.928 15.583 1.00 0.00 H new ATOM 686 N ARG A 44 18.007 -16.895 12.416 1.00 0.00 N ATOM 687 CA ARG A 44 16.595 -17.352 12.265 1.00 0.00 C ATOM 688 C ARG A 44 16.396 -18.005 10.895 1.00 0.00 C ATOM 689 O ARG A 44 16.063 -19.170 10.798 1.00 0.00 O ATOM 690 CB ARG A 44 15.755 -16.081 12.383 1.00 0.00 C ATOM 691 CG ARG A 44 15.950 -15.469 13.772 1.00 0.00 C ATOM 692 CD ARG A 44 14.687 -15.686 14.607 1.00 0.00 C ATOM 693 NE ARG A 44 15.157 -16.356 15.852 1.00 0.00 N ATOM 694 CZ ARG A 44 14.395 -16.376 16.912 1.00 0.00 C ATOM 695 NH1 ARG A 44 13.217 -15.811 16.885 1.00 0.00 N ATOM 696 NH2 ARG A 44 14.811 -16.962 18.002 1.00 0.00 N ATOM 0 H ARG A 44 18.172 -15.914 12.191 1.00 0.00 H new ATOM 0 HA ARG A 44 16.317 -18.095 13.013 1.00 0.00 H new ATOM 0 HB2 ARG A 44 16.048 -15.366 11.614 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.702 -16.311 12.220 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.808 -15.926 14.265 1.00 0.00 H new ATOM 0 HG3 ARG A 44 16.163 -14.403 13.685 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.194 -14.740 14.830 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.964 -16.304 14.075 1.00 0.00 H new ATOM 0 HE ARG A 44 16.075 -16.800 15.876 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.891 -15.353 16.034 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.624 -15.828 17.715 1.00 0.00 H new ATOM 0 HH21 ARG A 44 15.730 -17.403 18.025 1.00 0.00 H new ATOM 0 HH22 ARG A 44 14.217 -16.978 18.831 1.00 0.00 H new ATOM 710 N MET A 45 16.594 -17.257 9.840 1.00 0.00 N ATOM 711 CA MET A 45 16.425 -17.812 8.463 1.00 0.00 C ATOM 712 C MET A 45 16.851 -19.281 8.401 1.00 0.00 C ATOM 713 O MET A 45 18.028 -19.586 8.369 1.00 0.00 O ATOM 714 CB MET A 45 17.351 -16.963 7.594 1.00 0.00 C ATOM 715 CG MET A 45 16.594 -16.479 6.360 1.00 0.00 C ATOM 716 SD MET A 45 17.010 -14.747 6.045 1.00 0.00 S ATOM 717 CE MET A 45 16.115 -14.051 7.456 1.00 0.00 C ATOM 0 H MET A 45 16.868 -16.275 9.874 1.00 0.00 H new ATOM 0 HA MET A 45 15.385 -17.778 8.138 1.00 0.00 H new ATOM 0 HB2 MET A 45 17.721 -16.111 8.164 1.00 0.00 H new ATOM 0 HB3 MET A 45 18.221 -17.547 7.294 1.00 0.00 H new ATOM 0 HG2 MET A 45 16.855 -17.091 5.496 1.00 0.00 H new ATOM 0 HG3 MET A 45 15.520 -16.585 6.513 1.00 0.00 H new ATOM 0 HE1 MET A 45 15.637 -13.117 7.159 1.00 0.00 H new ATOM 0 HE2 MET A 45 15.355 -14.758 7.789 1.00 0.00 H new ATOM 0 HE3 MET A 45 16.813 -13.859 8.271 1.00 0.00 H new ATOM 727 N PRO A 46 15.874 -20.146 8.372 1.00 0.00 N ATOM 728 CA PRO A 46 16.202 -21.592 8.297 1.00 0.00 C ATOM 729 C PRO A 46 16.983 -21.878 7.010 1.00 0.00 C ATOM 730 O PRO A 46 17.624 -21.004 6.459 1.00 0.00 O ATOM 731 CB PRO A 46 14.845 -22.304 8.279 1.00 0.00 C ATOM 732 CG PRO A 46 13.817 -21.226 8.134 1.00 0.00 C ATOM 733 CD PRO A 46 14.443 -19.945 8.603 1.00 0.00 C ATOM 0 HA PRO A 46 16.822 -21.927 9.129 1.00 0.00 H new ATOM 0 HB2 PRO A 46 14.787 -23.013 7.453 1.00 0.00 H new ATOM 0 HB3 PRO A 46 14.689 -22.871 9.197 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.496 -21.139 7.096 1.00 0.00 H new ATOM 0 HG3 PRO A 46 12.930 -21.459 8.724 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.065 -19.088 8.045 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.231 -19.759 9.656 1.00 0.00 H new ATOM 859 N ALA A 57 22.282 -19.214 0.807 1.00 0.00 N ATOM 860 CA ALA A 57 20.906 -18.733 0.486 1.00 0.00 C ATOM 861 C ALA A 57 19.932 -19.141 1.593 1.00 0.00 C ATOM 862 O ALA A 57 19.629 -20.305 1.769 1.00 0.00 O ATOM 863 CB ALA A 57 20.543 -19.422 -0.829 1.00 0.00 C ATOM 0 HA ALA A 57 20.856 -17.647 0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.541 -19.119 -1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 57 21.259 -19.136 -1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.569 -20.503 -0.693 1.00 0.00 H new ATOM 869 N LEU A 58 19.440 -18.192 2.340 1.00 0.00 N ATOM 870 CA LEU A 58 18.486 -18.525 3.435 1.00 0.00 C ATOM 871 C LEU A 58 17.108 -17.929 3.135 1.00 0.00 C ATOM 872 O LEU A 58 16.979 -17.011 2.351 1.00 0.00 O ATOM 873 CB LEU A 58 19.080 -17.882 4.687 1.00 0.00 C ATOM 874 CG LEU A 58 20.503 -18.398 4.903 1.00 0.00 C ATOM 875 CD1 LEU A 58 21.177 -17.589 6.012 1.00 0.00 C ATOM 876 CD2 LEU A 58 20.453 -19.874 5.308 1.00 0.00 C ATOM 0 H LEU A 58 19.657 -17.200 2.240 1.00 0.00 H new ATOM 0 HA LEU A 58 18.352 -19.600 3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 58 19.088 -16.797 4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 58 18.463 -18.114 5.555 1.00 0.00 H new ATOM 0 HG LEU A 58 21.072 -18.292 3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 58 22.191 -17.957 6.166 1.00 0.00 H new ATOM 0 HD12 LEU A 58 21.212 -16.538 5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 58 20.609 -17.695 6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 58 21.467 -20.243 5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.884 -19.979 6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.973 -20.452 4.518 1.00 0.00 H new ATOM 888 N ASP A 59 16.079 -18.442 3.752 1.00 0.00 N ATOM 889 CA ASP A 59 14.717 -17.891 3.496 1.00 0.00 C ATOM 890 C ASP A 59 14.201 -17.147 4.728 1.00 0.00 C ATOM 891 O ASP A 59 13.901 -17.742 5.744 1.00 0.00 O ATOM 892 CB ASP A 59 13.836 -19.110 3.211 1.00 0.00 C ATOM 893 CG ASP A 59 14.095 -20.189 4.264 1.00 0.00 C ATOM 894 OD1 ASP A 59 14.801 -19.903 5.217 1.00 0.00 O ATOM 895 OD2 ASP A 59 13.583 -21.284 4.099 1.00 0.00 O ATOM 0 H ASP A 59 16.121 -19.213 4.418 1.00 0.00 H new ATOM 0 HA ASP A 59 14.717 -17.181 2.669 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.785 -18.822 3.222 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.049 -19.500 2.216 1.00 0.00 H new ATOM 900 N TYR A 60 14.083 -15.850 4.645 1.00 0.00 N ATOM 901 CA TYR A 60 13.574 -15.074 5.808 1.00 0.00 C ATOM 902 C TYR A 60 12.063 -15.280 5.930 1.00 0.00 C ATOM 903 O TYR A 60 11.496 -15.196 7.001 1.00 0.00 O ATOM 904 CB TYR A 60 13.888 -13.614 5.483 1.00 0.00 C ATOM 905 CG TYR A 60 13.252 -13.242 4.165 1.00 0.00 C ATOM 906 CD1 TYR A 60 11.878 -12.983 4.096 1.00 0.00 C ATOM 907 CD2 TYR A 60 14.040 -13.152 3.012 1.00 0.00 C ATOM 908 CE1 TYR A 60 11.293 -12.636 2.872 1.00 0.00 C ATOM 909 CE2 TYR A 60 13.455 -12.805 1.789 1.00 0.00 C ATOM 910 CZ TYR A 60 12.081 -12.547 1.719 1.00 0.00 C ATOM 911 OH TYR A 60 11.504 -12.204 0.513 1.00 0.00 O ATOM 0 H TYR A 60 14.317 -15.295 3.822 1.00 0.00 H new ATOM 0 HA TYR A 60 14.027 -15.382 6.750 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.514 -12.966 6.275 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.967 -13.466 5.433 1.00 0.00 H new ATOM 0 HD1 TYR A 60 11.270 -13.051 4.986 1.00 0.00 H new ATOM 0 HD2 TYR A 60 15.100 -13.350 3.066 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.233 -12.437 2.818 1.00 0.00 H new ATOM 0 HE2 TYR A 60 14.063 -12.736 0.899 1.00 0.00 H new ATOM 0 HH TYR A 60 12.043 -12.564 -0.222 1.00 0.00 H new ATOM 921 N ALA A 61 11.410 -15.558 4.833 1.00 0.00 N ATOM 922 CA ALA A 61 9.938 -15.780 4.876 1.00 0.00 C ATOM 923 C ALA A 61 9.617 -16.894 5.870 1.00 0.00 C ATOM 924 O ALA A 61 8.713 -16.781 6.675 1.00 0.00 O ATOM 925 CB ALA A 61 9.554 -16.197 3.457 1.00 0.00 C ATOM 0 H ALA A 61 11.834 -15.641 3.909 1.00 0.00 H new ATOM 0 HA ALA A 61 9.390 -14.893 5.195 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.480 -16.379 3.409 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.819 -15.402 2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.089 -17.108 3.188 1.00 0.00 H new ATOM 931 N ALA A 62 10.358 -17.968 5.830 1.00 0.00 N ATOM 932 CA ALA A 62 10.096 -19.081 6.786 1.00 0.00 C ATOM 933 C ALA A 62 10.290 -18.581 8.214 1.00 0.00 C ATOM 934 O ALA A 62 9.623 -19.009 9.135 1.00 0.00 O ATOM 935 CB ALA A 62 11.124 -20.159 6.443 1.00 0.00 C ATOM 0 H ALA A 62 11.129 -18.122 5.181 1.00 0.00 H new ATOM 0 HA ALA A 62 9.079 -19.466 6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 62 10.992 -21.012 7.108 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.985 -20.479 5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.129 -19.756 6.566 1.00 0.00 H new ATOM 941 N PHE A 63 11.197 -17.668 8.396 1.00 0.00 N ATOM 942 CA PHE A 63 11.449 -17.116 9.755 1.00 0.00 C ATOM 943 C PHE A 63 10.281 -16.219 10.181 1.00 0.00 C ATOM 944 O PHE A 63 9.852 -16.240 11.317 1.00 0.00 O ATOM 945 CB PHE A 63 12.736 -16.300 9.612 1.00 0.00 C ATOM 946 CG PHE A 63 12.879 -15.360 10.787 1.00 0.00 C ATOM 947 CD1 PHE A 63 12.337 -15.704 12.030 1.00 0.00 C ATOM 948 CD2 PHE A 63 13.555 -14.144 10.629 1.00 0.00 C ATOM 949 CE1 PHE A 63 12.470 -14.832 13.116 1.00 0.00 C ATOM 950 CE2 PHE A 63 13.688 -13.273 11.716 1.00 0.00 C ATOM 951 CZ PHE A 63 13.147 -13.616 12.960 1.00 0.00 C ATOM 0 H PHE A 63 11.780 -17.276 7.657 1.00 0.00 H new ATOM 0 HA PHE A 63 11.543 -17.894 10.513 1.00 0.00 H new ATOM 0 HB2 PHE A 63 13.597 -16.967 9.561 1.00 0.00 H new ATOM 0 HB3 PHE A 63 12.717 -15.733 8.681 1.00 0.00 H new ATOM 0 HD1 PHE A 63 11.816 -16.642 12.151 1.00 0.00 H new ATOM 0 HD2 PHE A 63 13.973 -13.879 9.669 1.00 0.00 H new ATOM 0 HE1 PHE A 63 12.050 -15.097 14.075 1.00 0.00 H new ATOM 0 HE2 PHE A 63 14.209 -12.335 11.595 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.251 -12.944 13.799 1.00 0.00 H new ATOM 961 N SER A 64 9.763 -15.435 9.275 1.00 0.00 N ATOM 962 CA SER A 64 8.622 -14.540 9.627 1.00 0.00 C ATOM 963 C SER A 64 7.437 -15.367 10.133 1.00 0.00 C ATOM 964 O SER A 64 6.818 -15.038 11.126 1.00 0.00 O ATOM 965 CB SER A 64 8.260 -13.828 8.323 1.00 0.00 C ATOM 966 OG SER A 64 7.464 -14.692 7.523 1.00 0.00 O ATOM 0 H SER A 64 10.080 -15.375 8.307 1.00 0.00 H new ATOM 0 HA SER A 64 8.879 -13.836 10.419 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.717 -12.907 8.536 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.165 -13.547 7.785 1.00 0.00 H new ATOM 0 HG SER A 64 8.045 -15.300 7.020 1.00 0.00 H new ATOM 972 N SER A 65 7.118 -16.438 9.460 1.00 0.00 N ATOM 973 CA SER A 65 5.972 -17.285 9.906 1.00 0.00 C ATOM 974 C SER A 65 6.229 -17.823 11.316 1.00 0.00 C ATOM 975 O SER A 65 5.338 -17.887 12.139 1.00 0.00 O ATOM 976 CB SER A 65 5.911 -18.432 8.898 1.00 0.00 C ATOM 977 OG SER A 65 4.716 -19.173 9.104 1.00 0.00 O ATOM 0 H SER A 65 7.599 -16.764 8.622 1.00 0.00 H new ATOM 0 HA SER A 65 5.037 -16.726 9.945 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.939 -18.040 7.881 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.780 -19.080 9.014 1.00 0.00 H new ATOM 0 HG SER A 65 4.672 -19.909 8.458 1.00 0.00 H new ATOM 983 N ALA A 66 7.443 -18.208 11.602 1.00 0.00 N ATOM 984 CA ALA A 66 7.754 -18.740 12.960 1.00 0.00 C ATOM 985 C ALA A 66 7.845 -17.591 13.967 1.00 0.00 C ATOM 986 O ALA A 66 7.376 -17.690 15.083 1.00 0.00 O ATOM 987 CB ALA A 66 9.109 -19.435 12.813 1.00 0.00 C ATOM 0 H ALA A 66 8.232 -18.177 10.956 1.00 0.00 H new ATOM 0 HA ALA A 66 6.985 -19.422 13.324 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.409 -19.854 13.773 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.030 -20.235 12.077 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.855 -18.712 12.484 1.00 0.00 H new ATOM 993 N LEU A 67 8.444 -16.498 13.578 1.00 0.00 N ATOM 994 CA LEU A 67 8.563 -15.340 14.509 1.00 0.00 C ATOM 995 C LEU A 67 7.173 -14.763 14.795 1.00 0.00 C ATOM 996 O LEU A 67 6.824 -14.478 15.924 1.00 0.00 O ATOM 997 CB LEU A 67 9.457 -14.340 13.751 1.00 0.00 C ATOM 998 CG LEU A 67 8.806 -12.953 13.668 1.00 0.00 C ATOM 999 CD1 LEU A 67 8.636 -12.381 15.076 1.00 0.00 C ATOM 1000 CD2 LEU A 67 9.697 -12.021 12.844 1.00 0.00 C ATOM 0 H LEU A 67 8.856 -16.357 12.656 1.00 0.00 H new ATOM 0 HA LEU A 67 8.987 -15.600 15.479 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.422 -14.261 14.252 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.650 -14.713 12.745 1.00 0.00 H new ATOM 0 HG LEU A 67 7.829 -13.039 13.192 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.174 -11.396 15.015 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.001 -13.044 15.664 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.612 -12.295 15.554 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.236 -11.035 12.784 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.674 -11.936 13.320 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.817 -12.427 11.840 1.00 0.00 H new ATOM 1012 N TYR A 68 6.387 -14.591 13.775 1.00 0.00 N ATOM 1013 CA TYR A 68 5.018 -14.032 13.969 1.00 0.00 C ATOM 1014 C TYR A 68 3.997 -15.166 14.102 1.00 0.00 C ATOM 1015 O TYR A 68 2.804 -14.937 14.152 1.00 0.00 O ATOM 1016 CB TYR A 68 4.745 -13.210 12.710 1.00 0.00 C ATOM 1017 CG TYR A 68 5.120 -11.768 12.958 1.00 0.00 C ATOM 1018 CD1 TYR A 68 4.516 -11.058 14.004 1.00 0.00 C ATOM 1019 CD2 TYR A 68 6.071 -11.142 12.144 1.00 0.00 C ATOM 1020 CE1 TYR A 68 4.863 -9.722 14.235 1.00 0.00 C ATOM 1021 CE2 TYR A 68 6.419 -9.805 12.375 1.00 0.00 C ATOM 1022 CZ TYR A 68 5.815 -9.095 13.421 1.00 0.00 C ATOM 1023 OH TYR A 68 6.158 -7.779 13.648 1.00 0.00 O ATOM 0 H TYR A 68 6.631 -14.813 12.810 1.00 0.00 H new ATOM 0 HA TYR A 68 4.942 -13.429 14.874 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.318 -13.607 11.872 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.692 -13.281 12.438 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.783 -11.542 14.632 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.536 -11.690 11.338 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.397 -9.175 15.041 1.00 0.00 H new ATOM 0 HE2 TYR A 68 7.153 -9.322 11.747 1.00 0.00 H new ATOM 0 HH TYR A 68 6.061 -7.575 14.602 1.00 0.00 H new ATOM 1105 N LYS B 8 13.691 3.593 -0.700 1.00 0.00 N ATOM 1106 CA LYS B 8 12.661 2.548 -0.398 1.00 0.00 C ATOM 1107 C LYS B 8 13.273 1.400 0.415 1.00 0.00 C ATOM 1108 O LYS B 8 12.722 0.978 1.412 1.00 0.00 O ATOM 1109 CB LYS B 8 12.172 2.045 -1.759 1.00 0.00 C ATOM 1110 CG LYS B 8 10.675 1.740 -1.674 1.00 0.00 C ATOM 1111 CD LYS B 8 10.182 1.213 -3.023 1.00 0.00 C ATOM 1112 CE LYS B 8 8.658 1.081 -2.991 1.00 0.00 C ATOM 1113 NZ LYS B 8 8.314 0.279 -4.199 1.00 0.00 N ATOM 0 HA LYS B 8 11.844 2.952 0.199 1.00 0.00 H new ATOM 0 HB2 LYS B 8 12.359 2.796 -2.526 1.00 0.00 H new ATOM 0 HB3 LYS B 8 12.722 1.149 -2.048 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.487 1.003 -0.893 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.125 2.640 -1.401 1.00 0.00 H new ATOM 0 HD2 LYS B 8 10.483 1.890 -3.822 1.00 0.00 H new ATOM 0 HD3 LYS B 8 10.637 0.246 -3.237 1.00 0.00 H new ATOM 0 HE2 LYS B 8 8.324 0.585 -2.080 1.00 0.00 H new ATOM 0 HE3 LYS B 8 8.177 2.059 -3.016 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 7.284 0.146 -4.246 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 8.638 0.779 -5.051 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 8.780 -0.649 -4.144 1.00 0.00 H new ATOM 1127 N LYS B 9 14.401 0.889 0.002 1.00 0.00 N ATOM 1128 CA LYS B 9 15.030 -0.228 0.762 1.00 0.00 C ATOM 1129 C LYS B 9 15.268 0.194 2.213 1.00 0.00 C ATOM 1130 O LYS B 9 15.173 -0.602 3.125 1.00 0.00 O ATOM 1131 CB LYS B 9 16.358 -0.490 0.053 1.00 0.00 C ATOM 1132 CG LYS B 9 16.835 -1.909 0.371 1.00 0.00 C ATOM 1133 CD LYS B 9 18.361 -1.925 0.468 1.00 0.00 C ATOM 1134 CE LYS B 9 18.963 -1.821 -0.935 1.00 0.00 C ATOM 1135 NZ LYS B 9 20.134 -2.742 -0.919 1.00 0.00 N ATOM 0 H LYS B 9 14.912 1.195 -0.826 1.00 0.00 H new ATOM 0 HA LYS B 9 14.402 -1.118 0.789 1.00 0.00 H new ATOM 0 HB2 LYS B 9 16.238 -0.368 -1.023 1.00 0.00 H new ATOM 0 HB3 LYS B 9 17.104 0.237 0.375 1.00 0.00 H new ATOM 0 HG2 LYS B 9 16.397 -2.250 1.309 1.00 0.00 H new ATOM 0 HG3 LYS B 9 16.502 -2.598 -0.405 1.00 0.00 H new ATOM 0 HD2 LYS B 9 18.705 -1.095 1.085 1.00 0.00 H new ATOM 0 HD3 LYS B 9 18.696 -2.843 0.952 1.00 0.00 H new ATOM 0 HE2 LYS B 9 18.241 -2.113 -1.697 1.00 0.00 H new ATOM 0 HE3 LYS B 9 19.267 -0.799 -1.160 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 20.601 -2.726 -1.848 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 20.807 -2.435 -0.188 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 19.813 -3.709 -0.709 1.00 0.00 H new ATOM 1149 N ALA B 10 15.569 1.445 2.434 1.00 0.00 N ATOM 1150 CA ALA B 10 15.803 1.917 3.829 1.00 0.00 C ATOM 1151 C ALA B 10 14.499 1.835 4.626 1.00 0.00 C ATOM 1152 O ALA B 10 14.489 1.477 5.788 1.00 0.00 O ATOM 1153 CB ALA B 10 16.260 3.369 3.688 1.00 0.00 C ATOM 0 H ALA B 10 15.663 2.159 1.711 1.00 0.00 H new ATOM 0 HA ALA B 10 16.542 1.314 4.357 1.00 0.00 H new ATOM 0 HB1 ALA B 10 16.453 3.787 4.676 1.00 0.00 H new ATOM 0 HB2 ALA B 10 17.173 3.407 3.094 1.00 0.00 H new ATOM 0 HB3 ALA B 10 15.481 3.949 3.194 1.00 0.00 H new ATOM 1159 N GLU B 11 13.396 2.157 4.006 1.00 0.00 N ATOM 1160 CA GLU B 11 12.090 2.090 4.721 1.00 0.00 C ATOM 1161 C GLU B 11 11.770 0.638 5.081 1.00 0.00 C ATOM 1162 O GLU B 11 11.312 0.342 6.167 1.00 0.00 O ATOM 1163 CB GLU B 11 11.065 2.636 3.725 1.00 0.00 C ATOM 1164 CG GLU B 11 9.788 3.030 4.469 1.00 0.00 C ATOM 1165 CD GLU B 11 8.849 3.767 3.513 1.00 0.00 C ATOM 1166 OE1 GLU B 11 9.207 3.914 2.357 1.00 0.00 O ATOM 1167 OE2 GLU B 11 7.785 4.173 3.955 1.00 0.00 O ATOM 0 H GLU B 11 13.343 2.464 3.035 1.00 0.00 H new ATOM 0 HA GLU B 11 12.093 2.658 5.651 1.00 0.00 H new ATOM 0 HB2 GLU B 11 11.475 3.500 3.202 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.840 1.883 2.969 1.00 0.00 H new ATOM 0 HG2 GLU B 11 9.297 2.142 4.866 1.00 0.00 H new ATOM 0 HG3 GLU B 11 10.031 3.667 5.320 1.00 0.00 H new ATOM 1174 N ALA B 12 12.014 -0.271 4.176 1.00 0.00 N ATOM 1175 CA ALA B 12 11.731 -1.706 4.463 1.00 0.00 C ATOM 1176 C ALA B 12 12.610 -2.189 5.620 1.00 0.00 C ATOM 1177 O ALA B 12 12.214 -3.026 6.407 1.00 0.00 O ATOM 1178 CB ALA B 12 12.088 -2.445 3.174 1.00 0.00 C ATOM 0 H ALA B 12 12.397 -0.081 3.250 1.00 0.00 H new ATOM 0 HA ALA B 12 10.695 -1.876 4.754 1.00 0.00 H new ATOM 0 HB1 ALA B 12 11.907 -3.512 3.304 1.00 0.00 H new ATOM 0 HB2 ALA B 12 11.472 -2.069 2.357 1.00 0.00 H new ATOM 0 HB3 ALA B 12 13.140 -2.282 2.940 1.00 0.00 H new ATOM 1184 N VAL B 13 13.800 -1.666 5.729 1.00 0.00 N ATOM 1185 CA VAL B 13 14.706 -2.092 6.835 1.00 0.00 C ATOM 1186 C VAL B 13 14.125 -1.667 8.185 1.00 0.00 C ATOM 1187 O VAL B 13 14.149 -2.412 9.144 1.00 0.00 O ATOM 1188 CB VAL B 13 16.025 -1.367 6.568 1.00 0.00 C ATOM 1189 CG1 VAL B 13 16.998 -1.638 7.716 1.00 0.00 C ATOM 1190 CG2 VAL B 13 16.630 -1.873 5.257 1.00 0.00 C ATOM 0 H VAL B 13 14.185 -0.961 5.100 1.00 0.00 H new ATOM 0 HA VAL B 13 14.835 -3.174 6.870 1.00 0.00 H new ATOM 0 HB VAL B 13 15.841 -0.295 6.493 1.00 0.00 H new ATOM 0 HG11 VAL B 13 17.939 -1.121 7.526 1.00 0.00 H new ATOM 0 HG12 VAL B 13 16.568 -1.277 8.650 1.00 0.00 H new ATOM 0 HG13 VAL B 13 17.182 -2.710 7.792 1.00 0.00 H new ATOM 0 HG21 VAL B 13 17.570 -1.356 5.067 1.00 0.00 H new ATOM 0 HG22 VAL B 13 16.814 -2.945 5.331 1.00 0.00 H new ATOM 0 HG23 VAL B 13 15.937 -1.679 4.438 1.00 0.00 H new ATOM 1200 N ALA B 14 13.603 -0.474 8.268 1.00 0.00 N ATOM 1201 CA ALA B 14 13.022 -0.001 9.557 1.00 0.00 C ATOM 1202 C ALA B 14 11.900 -0.939 10.008 1.00 0.00 C ATOM 1203 O ALA B 14 11.763 -1.239 11.178 1.00 0.00 O ATOM 1204 CB ALA B 14 12.467 1.391 9.253 1.00 0.00 C ATOM 0 H ALA B 14 13.554 0.194 7.499 1.00 0.00 H new ATOM 0 HA ALA B 14 13.759 0.020 10.359 1.00 0.00 H new ATOM 0 HB1 ALA B 14 12.020 1.809 10.155 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.275 2.039 8.914 1.00 0.00 H new ATOM 0 HB3 ALA B 14 11.709 1.318 8.473 1.00 0.00 H new ATOM 1210 N THR B 15 11.098 -1.404 9.091 1.00 0.00 N ATOM 1211 CA THR B 15 9.987 -2.324 9.471 1.00 0.00 C ATOM 1212 C THR B 15 10.552 -3.647 9.994 1.00 0.00 C ATOM 1213 O THR B 15 10.095 -4.177 10.987 1.00 0.00 O ATOM 1214 CB THR B 15 9.200 -2.548 8.179 1.00 0.00 C ATOM 1215 OG1 THR B 15 8.438 -1.385 7.882 1.00 0.00 O ATOM 1216 CG2 THR B 15 8.263 -3.744 8.351 1.00 0.00 C ATOM 0 H THR B 15 11.163 -1.188 8.096 1.00 0.00 H new ATOM 0 HA THR B 15 9.361 -1.912 10.263 1.00 0.00 H new ATOM 0 HB THR B 15 9.893 -2.747 7.361 1.00 0.00 H new ATOM 0 HG1 THR B 15 7.934 -1.527 7.053 1.00 0.00 H new ATOM 0 HG21 THR B 15 7.703 -3.903 7.430 1.00 0.00 H new ATOM 0 HG22 THR B 15 8.848 -4.635 8.578 1.00 0.00 H new ATOM 0 HG23 THR B 15 7.569 -3.548 9.168 1.00 0.00 H new ATOM 1224 N VAL B 16 11.544 -4.183 9.336 1.00 0.00 N ATOM 1225 CA VAL B 16 12.135 -5.470 9.801 1.00 0.00 C ATOM 1226 C VAL B 16 12.794 -5.281 11.169 1.00 0.00 C ATOM 1227 O VAL B 16 12.651 -6.099 12.056 1.00 0.00 O ATOM 1228 CB VAL B 16 13.182 -5.832 8.747 1.00 0.00 C ATOM 1229 CG1 VAL B 16 13.866 -7.145 9.136 1.00 0.00 C ATOM 1230 CG2 VAL B 16 12.501 -5.995 7.388 1.00 0.00 C ATOM 0 H VAL B 16 11.970 -3.786 8.498 1.00 0.00 H new ATOM 0 HA VAL B 16 11.385 -6.253 9.913 1.00 0.00 H new ATOM 0 HB VAL B 16 13.927 -5.039 8.688 1.00 0.00 H new ATOM 0 HG11 VAL B 16 14.612 -7.403 8.385 1.00 0.00 H new ATOM 0 HG12 VAL B 16 14.352 -7.029 10.105 1.00 0.00 H new ATOM 0 HG13 VAL B 16 13.122 -7.939 9.196 1.00 0.00 H new ATOM 0 HG21 VAL B 16 13.247 -6.253 6.636 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.756 -6.788 7.447 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.014 -5.060 7.110 1.00 0.00 H new ATOM 1240 N VAL B 17 13.514 -4.207 11.347 1.00 0.00 N ATOM 1241 CA VAL B 17 14.178 -3.967 12.659 1.00 0.00 C ATOM 1242 C VAL B 17 13.133 -3.923 13.775 1.00 0.00 C ATOM 1243 O VAL B 17 13.255 -4.593 14.780 1.00 0.00 O ATOM 1244 CB VAL B 17 14.871 -2.612 12.512 1.00 0.00 C ATOM 1245 CG1 VAL B 17 15.326 -2.116 13.886 1.00 0.00 C ATOM 1246 CG2 VAL B 17 16.088 -2.762 11.596 1.00 0.00 C ATOM 0 H VAL B 17 13.671 -3.487 10.642 1.00 0.00 H new ATOM 0 HA VAL B 17 14.885 -4.756 12.917 1.00 0.00 H new ATOM 0 HB VAL B 17 14.174 -1.893 12.081 1.00 0.00 H new ATOM 0 HG11 VAL B 17 15.820 -1.150 13.779 1.00 0.00 H new ATOM 0 HG12 VAL B 17 14.460 -2.011 14.540 1.00 0.00 H new ATOM 0 HG13 VAL B 17 16.023 -2.834 14.319 1.00 0.00 H new ATOM 0 HG21 VAL B 17 16.584 -1.797 11.489 1.00 0.00 H new ATOM 0 HG22 VAL B 17 16.783 -3.482 12.029 1.00 0.00 H new ATOM 0 HG23 VAL B 17 15.765 -3.114 10.616 1.00 0.00 H new ATOM 1256 N ALA B 18 12.100 -3.143 13.602 1.00 0.00 N ATOM 1257 CA ALA B 18 11.044 -3.064 14.652 1.00 0.00 C ATOM 1258 C ALA B 18 10.395 -4.436 14.839 1.00 0.00 C ATOM 1259 O ALA B 18 10.215 -4.903 15.946 1.00 0.00 O ATOM 1260 CB ALA B 18 10.026 -2.056 14.119 1.00 0.00 C ATOM 0 H ALA B 18 11.942 -2.558 12.781 1.00 0.00 H new ATOM 0 HA ALA B 18 11.442 -2.761 15.621 1.00 0.00 H new ATOM 0 HB1 ALA B 18 9.215 -1.943 14.838 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.513 -1.093 13.967 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.623 -2.413 13.171 1.00 0.00 H new ATOM 1266 N ALA B 19 10.045 -5.086 13.763 1.00 0.00 N ATOM 1267 CA ALA B 19 9.412 -6.430 13.877 1.00 0.00 C ATOM 1268 C ALA B 19 10.397 -7.418 14.505 1.00 0.00 C ATOM 1269 O ALA B 19 10.056 -8.167 15.399 1.00 0.00 O ATOM 1270 CB ALA B 19 9.088 -6.836 12.440 1.00 0.00 C ATOM 0 H ALA B 19 10.170 -4.744 12.810 1.00 0.00 H new ATOM 0 HA ALA B 19 8.522 -6.420 14.507 1.00 0.00 H new ATOM 0 HB1 ALA B 19 8.617 -7.819 12.437 1.00 0.00 H new ATOM 0 HB2 ALA B 19 8.408 -6.107 12.000 1.00 0.00 H new ATOM 0 HB3 ALA B 19 10.008 -6.872 11.856 1.00 0.00 H new ATOM 1276 N VAL B 20 11.619 -7.420 14.049 1.00 0.00 N ATOM 1277 CA VAL B 20 12.627 -8.353 14.628 1.00 0.00 C ATOM 1278 C VAL B 20 12.852 -8.016 16.103 1.00 0.00 C ATOM 1279 O VAL B 20 12.906 -8.886 16.948 1.00 0.00 O ATOM 1280 CB VAL B 20 13.903 -8.119 13.820 1.00 0.00 C ATOM 1281 CG1 VAL B 20 15.049 -8.926 14.431 1.00 0.00 C ATOM 1282 CG2 VAL B 20 13.681 -8.566 12.374 1.00 0.00 C ATOM 0 H VAL B 20 11.963 -6.817 13.302 1.00 0.00 H new ATOM 0 HA VAL B 20 12.308 -9.394 14.579 1.00 0.00 H new ATOM 0 HB VAL B 20 14.154 -7.059 13.839 1.00 0.00 H new ATOM 0 HG11 VAL B 20 15.959 -8.759 13.855 1.00 0.00 H new ATOM 0 HG12 VAL B 20 15.209 -8.609 15.461 1.00 0.00 H new ATOM 0 HG13 VAL B 20 14.797 -9.986 14.413 1.00 0.00 H new ATOM 0 HG21 VAL B 20 14.591 -8.399 11.798 1.00 0.00 H new ATOM 0 HG22 VAL B 20 13.429 -9.626 12.356 1.00 0.00 H new ATOM 0 HG23 VAL B 20 12.864 -7.991 11.937 1.00 0.00 H new ATOM 1292 N ASP B 21 12.977 -6.756 16.416 1.00 0.00 N ATOM 1293 CA ASP B 21 13.191 -6.360 17.838 1.00 0.00 C ATOM 1294 C ASP B 21 12.016 -6.842 18.690 1.00 0.00 C ATOM 1295 O ASP B 21 12.190 -7.314 19.796 1.00 0.00 O ATOM 1296 CB ASP B 21 13.254 -4.832 17.820 1.00 0.00 C ATOM 1297 CG ASP B 21 13.805 -4.329 19.155 1.00 0.00 C ATOM 1298 OD1 ASP B 21 13.201 -4.628 20.172 1.00 0.00 O ATOM 1299 OD2 ASP B 21 14.821 -3.655 19.139 1.00 0.00 O ATOM 0 H ASP B 21 12.940 -5.984 15.750 1.00 0.00 H new ATOM 0 HA ASP B 21 14.096 -6.795 18.262 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.889 -4.493 17.001 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.261 -4.418 17.645 1.00 0.00 H new ATOM 1304 N GLN B 22 10.818 -6.735 18.180 1.00 0.00 N ATOM 1305 CA GLN B 22 9.635 -7.197 18.958 1.00 0.00 C ATOM 1306 C GLN B 22 9.841 -8.651 19.387 1.00 0.00 C ATOM 1307 O GLN B 22 9.516 -9.036 20.492 1.00 0.00 O ATOM 1308 CB GLN B 22 8.453 -7.082 17.995 1.00 0.00 C ATOM 1309 CG GLN B 22 7.264 -6.445 18.716 1.00 0.00 C ATOM 1310 CD GLN B 22 6.513 -5.526 17.751 1.00 0.00 C ATOM 1311 OE1 GLN B 22 7.040 -5.142 16.725 1.00 0.00 O ATOM 1312 NE2 GLN B 22 5.294 -5.156 18.036 1.00 0.00 N ATOM 0 H GLN B 22 10.609 -6.348 17.260 1.00 0.00 H new ATOM 0 HA GLN B 22 9.473 -6.611 19.863 1.00 0.00 H new ATOM 0 HB2 GLN B 22 8.732 -6.480 17.131 1.00 0.00 H new ATOM 0 HB3 GLN B 22 8.178 -8.068 17.621 1.00 0.00 H new ATOM 0 HG2 GLN B 22 6.595 -7.220 19.091 1.00 0.00 H new ATOM 0 HG3 GLN B 22 7.611 -5.877 19.580 1.00 0.00 H new ATOM 0 HE21 GLN B 22 4.851 -5.478 18.897 1.00 0.00 H new ATOM 0 HE22 GLN B 22 4.784 -4.545 17.398 1.00 0.00 H new ATOM 1321 N ALA B 23 10.387 -9.460 18.519 1.00 0.00 N ATOM 1322 CA ALA B 23 10.625 -10.886 18.876 1.00 0.00 C ATOM 1323 C ALA B 23 11.558 -10.964 20.086 1.00 0.00 C ATOM 1324 O ALA B 23 11.380 -11.777 20.971 1.00 0.00 O ATOM 1325 CB ALA B 23 11.285 -11.500 17.642 1.00 0.00 C ATOM 0 H ALA B 23 10.678 -9.194 17.578 1.00 0.00 H new ATOM 0 HA ALA B 23 9.708 -11.411 19.143 1.00 0.00 H new ATOM 0 HB1 ALA B 23 11.493 -12.554 17.827 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.616 -11.407 16.787 1.00 0.00 H new ATOM 0 HB3 ALA B 23 12.218 -10.978 17.431 1.00 0.00 H new ATOM 1331 N ARG B 24 12.549 -10.115 20.135 1.00 0.00 N ATOM 1332 CA ARG B 24 13.487 -10.130 21.290 1.00 0.00 C ATOM 1333 C ARG B 24 12.716 -9.859 22.584 1.00 0.00 C ATOM 1334 O ARG B 24 12.898 -10.527 23.582 1.00 0.00 O ATOM 1335 CB ARG B 24 14.481 -9.003 21.009 1.00 0.00 C ATOM 1336 CG ARG B 24 15.763 -9.240 21.809 1.00 0.00 C ATOM 1337 CD ARG B 24 16.690 -8.032 21.657 1.00 0.00 C ATOM 1338 NE ARG B 24 17.744 -8.473 20.703 1.00 0.00 N ATOM 1339 CZ ARG B 24 18.681 -9.296 21.092 1.00 0.00 C ATOM 1340 NH1 ARG B 24 18.703 -9.732 22.323 1.00 0.00 N ATOM 1341 NH2 ARG B 24 19.598 -9.683 20.248 1.00 0.00 N ATOM 0 H ARG B 24 12.748 -9.412 19.424 1.00 0.00 H new ATOM 0 HA ARG B 24 13.990 -11.090 21.409 1.00 0.00 H new ATOM 0 HB2 ARG B 24 14.707 -8.961 19.944 1.00 0.00 H new ATOM 0 HB3 ARG B 24 14.043 -8.042 21.280 1.00 0.00 H new ATOM 0 HG2 ARG B 24 15.524 -9.398 22.861 1.00 0.00 H new ATOM 0 HG3 ARG B 24 16.263 -10.142 21.456 1.00 0.00 H new ATOM 0 HD2 ARG B 24 16.150 -7.166 21.275 1.00 0.00 H new ATOM 0 HD3 ARG B 24 17.121 -7.742 22.615 1.00 0.00 H new ATOM 0 HE ARG B 24 17.735 -8.131 19.742 1.00 0.00 H new ATOM 0 HH11 ARG B 24 17.987 -9.430 22.984 1.00 0.00 H new ATOM 0 HH12 ARG B 24 19.436 -10.375 22.623 1.00 0.00 H new ATOM 0 HH21 ARG B 24 19.582 -9.343 19.286 1.00 0.00 H new ATOM 0 HH22 ARG B 24 20.330 -10.326 20.550 1.00 0.00 H new