USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 590 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 80 THR OG1 : rot 180:sc= -0.0302 USER MOD Set 1.2: A 81 THR OG1 : rot 39:sc= 1.01 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc=-0.00687 USER MOD Single : A 9 GLN :FLIP amide:sc= 0.406 F(o=-1.1!,f=0.41) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.0104 F(o=-0.52,f=-0.01) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.662 USER MOD Single : A 65 HIS : no HE2:sc= -5.08! C(o=-5.1!,f=-7.6!) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0374 USER MOD Single : A 71 SER OG : rot -120:sc= -2.41! USER MOD ----------------------------------------------------------------- ATOM 63 N HIS A 3 2.783 -9.845 -4.276 1.00 0.00 N ATOM 64 CA HIS A 3 2.245 -9.077 -5.440 1.00 0.00 C ATOM 65 C HIS A 3 2.455 -7.575 -5.226 1.00 0.00 C ATOM 66 O HIS A 3 1.518 -6.802 -5.240 1.00 0.00 O ATOM 67 CB HIS A 3 0.749 -9.358 -5.611 1.00 0.00 C ATOM 68 CG HIS A 3 0.466 -10.796 -5.269 1.00 0.00 C ATOM 69 ND1 HIS A 3 0.872 -11.844 -6.084 1.00 0.00 N ATOM 70 CD2 HIS A 3 -0.181 -11.377 -4.205 1.00 0.00 C ATOM 71 CE1 HIS A 3 0.468 -12.989 -5.502 1.00 0.00 C ATOM 72 NE2 HIS A 3 -0.177 -12.758 -4.358 1.00 0.00 N ATOM 0 HA HIS A 3 2.778 -9.392 -6.337 1.00 0.00 H new ATOM 0 HB2 HIS A 3 0.168 -8.699 -4.966 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.444 -9.150 -6.637 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -0.624 -10.843 -3.378 1.00 0.00 H new ATOM 0 HE1 HIS A 3 0.645 -13.973 -5.911 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -0.582 -13.450 -3.728 1.00 0.00 H new ATOM 81 N ALA A 4 3.675 -7.152 -5.031 1.00 0.00 N ATOM 82 CA ALA A 4 3.931 -5.698 -4.823 1.00 0.00 C ATOM 83 C ALA A 4 3.520 -4.921 -6.079 1.00 0.00 C ATOM 84 O ALA A 4 2.937 -3.855 -6.003 1.00 0.00 O ATOM 85 CB ALA A 4 5.420 -5.471 -4.558 1.00 0.00 C ATOM 0 H ALA A 4 4.502 -7.748 -5.007 1.00 0.00 H new ATOM 0 HA ALA A 4 3.350 -5.350 -3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.605 -4.408 -4.406 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.719 -6.022 -3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.999 -5.822 -5.412 1.00 0.00 H new ATOM 91 N SER A 5 3.825 -5.445 -7.237 1.00 0.00 N ATOM 92 CA SER A 5 3.459 -4.737 -8.496 1.00 0.00 C ATOM 93 C SER A 5 1.938 -4.619 -8.597 1.00 0.00 C ATOM 94 O SER A 5 1.413 -3.644 -9.097 1.00 0.00 O ATOM 95 CB SER A 5 3.988 -5.523 -9.696 1.00 0.00 C ATOM 96 OG SER A 5 3.280 -6.751 -9.803 1.00 0.00 O ATOM 0 H SER A 5 4.312 -6.332 -7.364 1.00 0.00 H new ATOM 0 HA SER A 5 3.900 -3.740 -8.489 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.867 -4.940 -10.609 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.055 -5.714 -9.578 1.00 0.00 H new ATOM 0 HG SER A 5 3.616 -7.256 -10.573 1.00 0.00 H new ATOM 102 N VAL A 6 1.225 -5.601 -8.121 1.00 0.00 N ATOM 103 CA VAL A 6 -0.262 -5.538 -8.187 1.00 0.00 C ATOM 104 C VAL A 6 -0.754 -4.381 -7.321 1.00 0.00 C ATOM 105 O VAL A 6 -1.646 -3.644 -7.694 1.00 0.00 O ATOM 106 CB VAL A 6 -0.851 -6.849 -7.671 1.00 0.00 C ATOM 107 CG1 VAL A 6 -2.368 -6.710 -7.536 1.00 0.00 C ATOM 108 CG2 VAL A 6 -0.527 -7.974 -8.656 1.00 0.00 C ATOM 0 H VAL A 6 1.606 -6.443 -7.690 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.577 -5.383 -9.219 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.421 -7.082 -6.697 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.788 -7.646 -7.168 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.599 -5.908 -6.835 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.800 -6.477 -8.509 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.947 -8.911 -8.289 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.957 -7.740 -9.630 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.554 -8.074 -8.752 1.00 0.00 H new ATOM 118 N ILE A 7 -0.173 -4.216 -6.166 1.00 0.00 N ATOM 119 CA ILE A 7 -0.596 -3.108 -5.267 1.00 0.00 C ATOM 120 C ILE A 7 -0.395 -1.773 -5.984 1.00 0.00 C ATOM 121 O ILE A 7 -1.245 -0.905 -5.958 1.00 0.00 O ATOM 122 CB ILE A 7 0.262 -3.139 -4.002 1.00 0.00 C ATOM 123 CG1 ILE A 7 0.104 -4.501 -3.319 1.00 0.00 C ATOM 124 CG2 ILE A 7 -0.195 -2.034 -3.048 1.00 0.00 C ATOM 125 CD1 ILE A 7 1.132 -4.637 -2.195 1.00 0.00 C ATOM 0 H ILE A 7 0.579 -4.803 -5.805 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.647 -3.225 -5.003 1.00 0.00 H new ATOM 0 HB ILE A 7 1.308 -2.980 -4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.904 -4.602 -2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.239 -5.301 -4.047 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.417 -2.056 -2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.088 -1.065 -3.536 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.240 -2.192 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.016 -5.607 -1.712 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.137 -4.555 -2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.976 -3.846 -1.462 1.00 0.00 H new ATOM 137 N ALA A 8 0.727 -1.605 -6.629 1.00 0.00 N ATOM 138 CA ALA A 8 0.982 -0.328 -7.350 1.00 0.00 C ATOM 139 C ALA A 8 -0.067 -0.152 -8.450 1.00 0.00 C ATOM 140 O ALA A 8 -0.543 0.941 -8.699 1.00 0.00 O ATOM 141 CB ALA A 8 2.378 -0.368 -7.972 1.00 0.00 C ATOM 0 H ALA A 8 1.476 -2.295 -6.687 1.00 0.00 H new ATOM 0 HA ALA A 8 0.921 0.508 -6.653 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.568 0.566 -8.501 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.123 -0.498 -7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.440 -1.201 -8.673 1.00 0.00 H new ATOM 147 N GLN A 9 -0.436 -1.218 -9.108 1.00 0.00 N ATOM 148 CA GLN A 9 -1.458 -1.108 -10.185 1.00 0.00 C ATOM 149 C GLN A 9 -2.749 -0.544 -9.596 1.00 0.00 C ATOM 150 O GLN A 9 -3.404 0.287 -10.185 1.00 0.00 O ATOM 151 CB GLN A 9 -1.729 -2.492 -10.779 1.00 0.00 C ATOM 152 CG GLN A 9 -2.622 -2.352 -12.013 1.00 0.00 C ATOM 153 CD GLN A 9 -2.982 -3.741 -12.544 1.00 0.00 C ATOM 154 OE1 GLN A 9 -2.433 -4.795 -12.005 1.00 0.00 O flip ATOM 155 NE2 GLN A 9 -3.773 -3.868 -13.458 1.00 0.00 N flip ATOM 0 H GLN A 9 -0.074 -2.158 -8.946 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.092 -0.445 -10.969 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.789 -2.973 -11.050 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.212 -3.129 -10.038 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.528 -1.802 -11.758 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.107 -1.779 -12.784 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.202 -3.044 -13.879 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.008 -4.798 -13.804 1.00 0.00 H new ATOM 164 N PHE A 10 -3.117 -0.983 -8.430 1.00 0.00 N ATOM 165 CA PHE A 10 -4.362 -0.463 -7.801 1.00 0.00 C ATOM 166 C PHE A 10 -4.222 1.033 -7.527 1.00 0.00 C ATOM 167 O PHE A 10 -5.152 1.794 -7.702 1.00 0.00 O ATOM 168 CB PHE A 10 -4.618 -1.190 -6.483 1.00 0.00 C ATOM 169 CG PHE A 10 -5.354 -2.481 -6.744 1.00 0.00 C ATOM 170 CD1 PHE A 10 -6.729 -2.457 -7.007 1.00 0.00 C ATOM 171 CD2 PHE A 10 -4.669 -3.701 -6.712 1.00 0.00 C ATOM 172 CE1 PHE A 10 -7.418 -3.651 -7.239 1.00 0.00 C ATOM 173 CE2 PHE A 10 -5.360 -4.897 -6.942 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.735 -4.871 -7.206 1.00 0.00 C ATOM 0 H PHE A 10 -2.611 -1.680 -7.883 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.196 -0.632 -8.482 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.672 -1.395 -5.981 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.202 -0.557 -5.816 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.258 -1.516 -7.031 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.608 -3.720 -6.510 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.478 -3.631 -7.444 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.833 -5.839 -6.916 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.268 -5.793 -7.384 1.00 0.00 H new ATOM 184 N VAL A 11 -3.078 1.457 -7.073 1.00 0.00 N ATOM 185 CA VAL A 11 -2.900 2.902 -6.759 1.00 0.00 C ATOM 186 C VAL A 11 -3.137 3.760 -8.004 1.00 0.00 C ATOM 187 O VAL A 11 -3.893 4.711 -7.970 1.00 0.00 O ATOM 188 CB VAL A 11 -1.476 3.134 -6.259 1.00 0.00 C ATOM 189 CG1 VAL A 11 -1.203 4.636 -6.182 1.00 0.00 C ATOM 190 CG2 VAL A 11 -1.321 2.513 -4.869 1.00 0.00 C ATOM 0 H VAL A 11 -2.261 0.870 -6.906 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.623 3.185 -5.994 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.766 2.672 -6.945 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.187 4.803 -5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.317 5.078 -7.172 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.910 5.100 -5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.305 2.677 -4.509 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.029 2.977 -4.182 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.518 1.442 -4.925 1.00 0.00 H new ATOM 200 N VAL A 12 -2.509 3.448 -9.105 1.00 0.00 N ATOM 201 CA VAL A 12 -2.726 4.271 -10.325 1.00 0.00 C ATOM 202 C VAL A 12 -4.174 4.117 -10.805 1.00 0.00 C ATOM 203 O VAL A 12 -4.798 5.066 -11.231 1.00 0.00 O ATOM 204 CB VAL A 12 -1.746 3.848 -11.425 1.00 0.00 C ATOM 205 CG1 VAL A 12 -0.316 3.928 -10.888 1.00 0.00 C ATOM 206 CG2 VAL A 12 -2.034 2.413 -11.873 1.00 0.00 C ATOM 0 H VAL A 12 -1.862 2.667 -9.211 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.546 5.320 -10.087 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.864 4.517 -12.277 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.383 3.628 -11.668 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.099 4.951 -10.581 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.211 3.262 -10.031 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.330 2.128 -12.654 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.927 1.738 -11.024 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.051 2.350 -12.260 1.00 0.00 H new ATOM 216 N GLU A 13 -4.712 2.930 -10.740 1.00 0.00 N ATOM 217 CA GLU A 13 -6.114 2.716 -11.196 1.00 0.00 C ATOM 218 C GLU A 13 -7.090 3.441 -10.273 1.00 0.00 C ATOM 219 O GLU A 13 -8.219 3.706 -10.634 1.00 0.00 O ATOM 220 CB GLU A 13 -6.421 1.223 -11.196 1.00 0.00 C ATOM 221 CG GLU A 13 -5.612 0.544 -12.295 1.00 0.00 C ATOM 222 CD GLU A 13 -5.977 -0.939 -12.362 1.00 0.00 C ATOM 223 OE1 GLU A 13 -6.691 -1.394 -11.482 1.00 0.00 O ATOM 224 OE2 GLU A 13 -5.536 -1.597 -13.290 1.00 0.00 O ATOM 0 H GLU A 13 -4.239 2.097 -10.390 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.225 3.115 -12.204 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.175 0.789 -10.227 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.486 1.059 -11.358 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.812 1.021 -13.254 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.546 0.658 -12.098 1.00 0.00 H new ATOM 231 N GLU A 14 -6.672 3.752 -9.083 1.00 0.00 N ATOM 232 CA GLU A 14 -7.587 4.446 -8.136 1.00 0.00 C ATOM 233 C GLU A 14 -7.964 5.820 -8.695 1.00 0.00 C ATOM 234 O GLU A 14 -9.037 6.328 -8.437 1.00 0.00 O ATOM 235 CB GLU A 14 -6.892 4.618 -6.785 1.00 0.00 C ATOM 236 CG GLU A 14 -7.898 5.142 -5.757 1.00 0.00 C ATOM 237 CD GLU A 14 -7.178 5.431 -4.439 1.00 0.00 C ATOM 238 OE1 GLU A 14 -5.976 5.232 -4.387 1.00 0.00 O ATOM 239 OE2 GLU A 14 -7.841 5.847 -3.503 1.00 0.00 O ATOM 0 H GLU A 14 -5.738 3.557 -8.723 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.490 3.849 -8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.479 3.666 -6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.057 5.312 -6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.375 6.049 -6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.688 4.408 -5.599 1.00 0.00 H new ATOM 246 N PHE A 15 -7.095 6.432 -9.456 1.00 0.00 N ATOM 247 CA PHE A 15 -7.427 7.773 -10.017 1.00 0.00 C ATOM 248 C PHE A 15 -6.739 7.966 -11.373 1.00 0.00 C ATOM 249 O PHE A 15 -7.262 8.628 -12.249 1.00 0.00 O ATOM 250 CB PHE A 15 -6.959 8.859 -9.045 1.00 0.00 C ATOM 251 CG PHE A 15 -7.461 10.204 -9.510 1.00 0.00 C ATOM 252 CD1 PHE A 15 -8.774 10.598 -9.224 1.00 0.00 C ATOM 253 CD2 PHE A 15 -6.615 11.059 -10.226 1.00 0.00 C ATOM 254 CE1 PHE A 15 -9.240 11.845 -9.654 1.00 0.00 C ATOM 255 CE2 PHE A 15 -7.081 12.306 -10.656 1.00 0.00 C ATOM 256 CZ PHE A 15 -8.393 12.700 -10.371 1.00 0.00 C ATOM 0 H PHE A 15 -6.178 6.065 -9.711 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.506 7.844 -10.157 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.330 8.648 -8.042 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -5.871 8.866 -8.988 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.427 9.939 -8.671 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.602 10.756 -10.447 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.253 12.149 -9.433 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.428 12.965 -11.208 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.752 13.663 -10.704 1.00 0.00 H new ATOM 266 N LEU A 16 -5.570 7.409 -11.552 1.00 0.00 N ATOM 267 CA LEU A 16 -4.849 7.576 -12.848 1.00 0.00 C ATOM 268 C LEU A 16 -4.566 6.205 -13.475 1.00 0.00 C ATOM 269 O LEU A 16 -3.471 5.690 -13.377 1.00 0.00 O ATOM 270 CB LEU A 16 -3.522 8.282 -12.582 1.00 0.00 C ATOM 271 CG LEU A 16 -3.708 9.788 -12.751 1.00 0.00 C ATOM 272 CD1 LEU A 16 -2.667 10.530 -11.911 1.00 0.00 C ATOM 273 CD2 LEU A 16 -3.534 10.161 -14.224 1.00 0.00 C ATOM 0 H LEU A 16 -5.083 6.845 -10.856 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.464 8.162 -13.531 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.174 8.058 -11.574 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.759 7.919 -13.271 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.708 10.069 -12.420 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.801 11.605 -12.032 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.791 10.265 -10.861 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.667 10.249 -12.240 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.667 11.236 -14.345 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.534 9.879 -14.555 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.277 9.634 -14.823 1.00 0.00 H new ATOM 285 N PRO A 17 -5.543 5.617 -14.116 1.00 0.00 N ATOM 286 CA PRO A 17 -5.384 4.286 -14.767 1.00 0.00 C ATOM 287 C PRO A 17 -4.573 4.363 -16.066 1.00 0.00 C ATOM 288 O PRO A 17 -4.171 3.359 -16.618 1.00 0.00 O ATOM 289 CB PRO A 17 -6.817 3.839 -15.055 1.00 0.00 C ATOM 290 CG PRO A 17 -7.637 5.087 -15.106 1.00 0.00 C ATOM 291 CD PRO A 17 -6.903 6.155 -14.292 1.00 0.00 C ATOM 0 HA PRO A 17 -4.835 3.593 -14.129 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.874 3.296 -15.999 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.179 3.166 -14.278 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.771 5.416 -16.137 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.631 4.909 -14.696 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.887 7.111 -14.815 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.389 6.326 -13.332 1.00 0.00 H new ATOM 299 N ASP A 18 -4.340 5.548 -16.562 1.00 0.00 N ATOM 300 CA ASP A 18 -3.571 5.692 -17.826 1.00 0.00 C ATOM 301 C ASP A 18 -2.085 5.915 -17.524 1.00 0.00 C ATOM 302 O ASP A 18 -1.323 6.289 -18.392 1.00 0.00 O ATOM 303 CB ASP A 18 -4.116 6.886 -18.603 1.00 0.00 C ATOM 304 CG ASP A 18 -5.531 6.577 -19.093 1.00 0.00 C ATOM 305 OD1 ASP A 18 -5.926 5.425 -19.013 1.00 0.00 O ATOM 306 OD2 ASP A 18 -6.196 7.497 -19.541 1.00 0.00 O ATOM 0 H ASP A 18 -4.651 6.424 -16.143 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.675 4.781 -18.415 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.126 7.772 -17.968 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.467 7.108 -19.450 1.00 0.00 H new ATOM 311 N VAL A 19 -1.668 5.695 -16.304 1.00 0.00 N ATOM 312 CA VAL A 19 -0.229 5.903 -15.959 1.00 0.00 C ATOM 313 C VAL A 19 0.435 4.556 -15.669 1.00 0.00 C ATOM 314 O VAL A 19 -0.102 3.724 -14.964 1.00 0.00 O ATOM 315 CB VAL A 19 -0.126 6.799 -14.723 1.00 0.00 C ATOM 316 CG1 VAL A 19 1.347 7.036 -14.387 1.00 0.00 C ATOM 317 CG2 VAL A 19 -0.802 8.142 -15.013 1.00 0.00 C ATOM 0 H VAL A 19 -2.259 5.381 -15.534 1.00 0.00 H new ATOM 0 HA VAL A 19 0.277 6.379 -16.799 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.619 6.315 -13.880 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.421 7.674 -13.507 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.832 6.081 -14.185 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.839 7.522 -15.230 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.730 8.783 -14.134 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.306 8.625 -15.855 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.851 7.976 -15.256 1.00 0.00 H new ATOM 327 N ALA A 20 1.605 4.337 -16.208 1.00 0.00 N ATOM 328 CA ALA A 20 2.311 3.048 -15.967 1.00 0.00 C ATOM 329 C ALA A 20 2.911 3.053 -14.549 1.00 0.00 C ATOM 330 O ALA A 20 3.751 3.876 -14.245 1.00 0.00 O ATOM 331 CB ALA A 20 3.443 2.901 -16.987 1.00 0.00 C ATOM 0 H ALA A 20 2.102 4.997 -16.806 1.00 0.00 H new ATOM 0 HA ALA A 20 1.609 2.220 -16.066 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.965 1.959 -16.818 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.028 2.910 -17.995 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.143 3.729 -16.876 1.00 0.00 H new ATOM 337 N PRO A 21 2.503 2.150 -13.682 1.00 0.00 N ATOM 338 CA PRO A 21 3.048 2.091 -12.293 1.00 0.00 C ATOM 339 C PRO A 21 4.579 2.071 -12.274 1.00 0.00 C ATOM 340 O PRO A 21 5.204 2.474 -11.314 1.00 0.00 O ATOM 341 CB PRO A 21 2.506 0.775 -11.732 1.00 0.00 C ATOM 342 CG PRO A 21 1.300 0.450 -12.547 1.00 0.00 C ATOM 343 CD PRO A 21 1.490 1.104 -13.915 1.00 0.00 C ATOM 0 HA PRO A 21 2.753 2.966 -11.714 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.251 -0.017 -11.804 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.249 0.876 -10.677 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.184 -0.629 -12.649 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.397 0.823 -12.064 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.828 0.381 -14.658 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.557 1.529 -14.286 1.00 0.00 H new ATOM 351 N ALA A 22 5.186 1.602 -13.328 1.00 0.00 N ATOM 352 CA ALA A 22 6.674 1.552 -13.374 1.00 0.00 C ATOM 353 C ALA A 22 7.240 2.974 -13.346 1.00 0.00 C ATOM 354 O ALA A 22 8.359 3.197 -12.928 1.00 0.00 O ATOM 355 CB ALA A 22 7.121 0.850 -14.657 1.00 0.00 C ATOM 0 H ALA A 22 4.715 1.250 -14.162 1.00 0.00 H new ATOM 0 HA ALA A 22 7.043 1.001 -12.509 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.210 0.813 -14.691 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.723 -0.165 -14.674 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.749 1.400 -15.521 1.00 0.00 H new ATOM 361 N ASP A 23 6.481 3.937 -13.793 1.00 0.00 N ATOM 362 CA ASP A 23 6.985 5.339 -13.797 1.00 0.00 C ATOM 363 C ASP A 23 6.722 5.992 -12.437 1.00 0.00 C ATOM 364 O ASP A 23 6.931 7.176 -12.260 1.00 0.00 O ATOM 365 CB ASP A 23 6.280 6.135 -14.900 1.00 0.00 C ATOM 366 CG ASP A 23 4.783 6.239 -14.595 1.00 0.00 C ATOM 367 OD1 ASP A 23 4.403 5.951 -13.473 1.00 0.00 O ATOM 368 OD2 ASP A 23 4.041 6.607 -15.491 1.00 0.00 O ATOM 0 H ASP A 23 5.535 3.814 -14.155 1.00 0.00 H new ATOM 0 HA ASP A 23 8.058 5.334 -13.986 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.714 7.132 -14.975 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.430 5.649 -15.864 1.00 0.00 H new ATOM 373 N VAL A 24 6.267 5.231 -11.476 1.00 0.00 N ATOM 374 CA VAL A 24 5.996 5.813 -10.129 1.00 0.00 C ATOM 375 C VAL A 24 7.030 5.293 -9.135 1.00 0.00 C ATOM 376 O VAL A 24 7.305 4.112 -9.075 1.00 0.00 O ATOM 377 CB VAL A 24 4.609 5.387 -9.651 1.00 0.00 C ATOM 378 CG1 VAL A 24 4.240 6.173 -8.392 1.00 0.00 C ATOM 379 CG2 VAL A 24 3.578 5.664 -10.747 1.00 0.00 C ATOM 0 H VAL A 24 6.072 4.234 -11.566 1.00 0.00 H new ATOM 0 HA VAL A 24 6.048 6.900 -10.195 1.00 0.00 H new ATOM 0 HB VAL A 24 4.617 4.321 -9.425 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.250 5.869 -8.051 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.972 5.971 -7.610 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.235 7.239 -8.617 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.590 5.359 -10.403 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.569 6.729 -10.977 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.840 5.101 -11.643 1.00 0.00 H new ATOM 389 N ASP A 25 7.599 6.158 -8.345 1.00 0.00 N ATOM 390 CA ASP A 25 8.601 5.692 -7.352 1.00 0.00 C ATOM 391 C ASP A 25 7.877 5.306 -6.062 1.00 0.00 C ATOM 392 O ASP A 25 7.225 6.121 -5.440 1.00 0.00 O ATOM 393 CB ASP A 25 9.592 6.822 -7.063 1.00 0.00 C ATOM 394 CG ASP A 25 10.719 6.297 -6.170 1.00 0.00 C ATOM 395 OD1 ASP A 25 10.692 5.122 -5.846 1.00 0.00 O ATOM 396 OD2 ASP A 25 11.590 7.080 -5.829 1.00 0.00 O ATOM 0 H ASP A 25 7.415 7.161 -8.344 1.00 0.00 H new ATOM 0 HA ASP A 25 9.141 4.830 -7.745 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.003 7.207 -7.996 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.082 7.651 -6.573 1.00 0.00 H new ATOM 401 N VAL A 26 7.988 4.074 -5.650 1.00 0.00 N ATOM 402 CA VAL A 26 7.306 3.650 -4.400 1.00 0.00 C ATOM 403 C VAL A 26 8.084 4.181 -3.195 1.00 0.00 C ATOM 404 O VAL A 26 7.746 3.912 -2.061 1.00 0.00 O ATOM 405 CB VAL A 26 7.260 2.124 -4.345 1.00 0.00 C ATOM 406 CG1 VAL A 26 6.574 1.586 -5.602 1.00 0.00 C ATOM 407 CG2 VAL A 26 8.686 1.572 -4.269 1.00 0.00 C ATOM 0 H VAL A 26 8.521 3.345 -6.125 1.00 0.00 H new ATOM 0 HA VAL A 26 6.291 4.047 -4.381 1.00 0.00 H new ATOM 0 HB VAL A 26 6.700 1.811 -3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.542 0.497 -5.561 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.558 1.977 -5.658 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.132 1.900 -6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.653 0.483 -4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.245 1.887 -5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.176 1.953 -3.373 1.00 0.00 H new ATOM 417 N ASP A 27 9.117 4.945 -3.433 1.00 0.00 N ATOM 418 CA ASP A 27 9.908 5.504 -2.304 1.00 0.00 C ATOM 419 C ASP A 27 9.280 6.825 -1.864 1.00 0.00 C ATOM 420 O ASP A 27 9.614 7.373 -0.831 1.00 0.00 O ATOM 421 CB ASP A 27 11.344 5.745 -2.768 1.00 0.00 C ATOM 422 CG ASP A 27 12.026 4.404 -3.046 1.00 0.00 C ATOM 423 OD1 ASP A 27 11.466 3.388 -2.667 1.00 0.00 O ATOM 424 OD2 ASP A 27 13.094 4.415 -3.635 1.00 0.00 O ATOM 0 H ASP A 27 9.446 5.205 -4.363 1.00 0.00 H new ATOM 0 HA ASP A 27 9.912 4.805 -1.467 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.348 6.360 -3.668 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.896 6.294 -2.005 1.00 0.00 H new ATOM 429 N LEU A 28 8.369 7.337 -2.641 1.00 0.00 N ATOM 430 CA LEU A 28 7.706 8.619 -2.280 1.00 0.00 C ATOM 431 C LEU A 28 6.401 8.312 -1.552 1.00 0.00 C ATOM 432 O LEU A 28 5.659 7.431 -1.939 1.00 0.00 O ATOM 433 CB LEU A 28 7.409 9.415 -3.552 1.00 0.00 C ATOM 434 CG LEU A 28 6.812 10.777 -3.185 1.00 0.00 C ATOM 435 CD1 LEU A 28 7.882 11.656 -2.532 1.00 0.00 C ATOM 436 CD2 LEU A 28 6.298 11.462 -4.453 1.00 0.00 C ATOM 0 H LEU A 28 8.053 6.920 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 28 8.359 9.206 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.324 9.552 -4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.714 8.862 -4.184 1.00 0.00 H new ATOM 0 HG LEU A 28 5.990 10.632 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.451 12.623 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.250 11.170 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.708 11.802 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.872 12.432 -4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.123 11.602 -5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.532 10.841 -4.917 1.00 0.00 H new ATOM 448 N ASP A 29 6.114 9.018 -0.496 1.00 0.00 N ATOM 449 CA ASP A 29 4.858 8.741 0.246 1.00 0.00 C ATOM 450 C ASP A 29 3.665 8.935 -0.686 1.00 0.00 C ATOM 451 O ASP A 29 3.582 9.897 -1.425 1.00 0.00 O ATOM 452 CB ASP A 29 4.740 9.689 1.442 1.00 0.00 C ATOM 453 CG ASP A 29 5.849 9.380 2.449 1.00 0.00 C ATOM 454 OD1 ASP A 29 6.468 8.336 2.319 1.00 0.00 O ATOM 455 OD2 ASP A 29 6.061 10.192 3.335 1.00 0.00 O ATOM 0 H ASP A 29 6.691 9.769 -0.118 1.00 0.00 H new ATOM 0 HA ASP A 29 4.872 7.713 0.608 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.815 10.724 1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.764 9.577 1.914 1.00 0.00 H new ATOM 460 N LEU A 30 2.752 8.011 -0.662 1.00 0.00 N ATOM 461 CA LEU A 30 1.560 8.095 -1.543 1.00 0.00 C ATOM 462 C LEU A 30 0.677 9.271 -1.124 1.00 0.00 C ATOM 463 O LEU A 30 0.092 9.945 -1.947 1.00 0.00 O ATOM 464 CB LEU A 30 0.766 6.797 -1.411 1.00 0.00 C ATOM 465 CG LEU A 30 0.012 6.524 -2.707 1.00 0.00 C ATOM 466 CD1 LEU A 30 -0.682 5.166 -2.613 1.00 0.00 C ATOM 467 CD2 LEU A 30 -1.028 7.622 -2.934 1.00 0.00 C ATOM 0 H LEU A 30 2.782 7.188 -0.060 1.00 0.00 H new ATOM 0 HA LEU A 30 1.878 8.244 -2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.439 5.969 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.065 6.871 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 30 0.712 6.515 -3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.222 4.969 -3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.063 4.387 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.383 5.173 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.567 7.427 -3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.731 7.635 -2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.528 8.588 -3.002 1.00 0.00 H new ATOM 479 N VAL A 31 0.559 9.514 0.149 1.00 0.00 N ATOM 480 CA VAL A 31 -0.306 10.633 0.618 1.00 0.00 C ATOM 481 C VAL A 31 0.242 11.972 0.126 1.00 0.00 C ATOM 482 O VAL A 31 -0.504 12.879 -0.181 1.00 0.00 O ATOM 483 CB VAL A 31 -0.367 10.638 2.140 1.00 0.00 C ATOM 484 CG1 VAL A 31 -1.103 11.893 2.605 1.00 0.00 C ATOM 485 CG2 VAL A 31 -1.122 9.396 2.613 1.00 0.00 C ATOM 0 H VAL A 31 1.024 8.986 0.888 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.308 10.490 0.214 1.00 0.00 H new ATOM 0 HB VAL A 31 0.641 10.632 2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.151 11.904 3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.570 12.778 2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.114 11.894 2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.170 9.392 3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.133 9.407 2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.602 8.502 2.270 1.00 0.00 H new ATOM 495 N ASP A 32 1.534 12.111 0.047 1.00 0.00 N ATOM 496 CA ASP A 32 2.101 13.401 -0.429 1.00 0.00 C ATOM 497 C ASP A 32 1.439 13.748 -1.759 1.00 0.00 C ATOM 498 O ASP A 32 1.209 14.899 -2.076 1.00 0.00 O ATOM 499 CB ASP A 32 3.612 13.260 -0.626 1.00 0.00 C ATOM 500 CG ASP A 32 4.222 14.635 -0.900 1.00 0.00 C ATOM 501 OD1 ASP A 32 3.489 15.609 -0.843 1.00 0.00 O ATOM 502 OD2 ASP A 32 5.412 14.692 -1.162 1.00 0.00 O ATOM 0 H ASP A 32 2.217 11.394 0.289 1.00 0.00 H new ATOM 0 HA ASP A 32 1.916 14.188 0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.066 12.820 0.262 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.820 12.586 -1.457 1.00 0.00 H new ATOM 507 N ASN A 33 1.122 12.751 -2.535 1.00 0.00 N ATOM 508 CA ASN A 33 0.462 12.995 -3.844 1.00 0.00 C ATOM 509 C ASN A 33 -0.980 13.459 -3.622 1.00 0.00 C ATOM 510 O ASN A 33 -1.508 14.256 -4.371 1.00 0.00 O ATOM 511 CB ASN A 33 0.449 11.694 -4.638 1.00 0.00 C ATOM 512 CG ASN A 33 1.872 11.340 -5.071 1.00 0.00 C ATOM 513 OD1 ASN A 33 2.639 12.270 -5.572 1.00 0.00 O flip ATOM 514 ND2 ASN A 33 2.291 10.206 -4.953 1.00 0.00 N flip ATOM 0 H ASN A 33 1.294 11.770 -2.316 1.00 0.00 H new ATOM 0 HA ASN A 33 1.008 13.766 -4.388 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.033 10.890 -4.031 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.193 11.797 -5.513 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.692 9.479 -4.562 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.242 9.981 -5.245 1.00 0.00 H new ATOM 521 N GLY A 34 -1.623 12.956 -2.605 1.00 0.00 N ATOM 522 CA GLY A 34 -3.034 13.355 -2.341 1.00 0.00 C ATOM 523 C GLY A 34 -3.966 12.459 -3.154 1.00 0.00 C ATOM 524 O GLY A 34 -5.164 12.661 -3.194 1.00 0.00 O ATOM 0 H GLY A 34 -1.232 12.285 -1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.258 13.265 -1.278 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.186 14.400 -2.611 1.00 0.00 H new ATOM 528 N VAL A 35 -3.422 11.465 -3.798 1.00 0.00 N ATOM 529 CA VAL A 35 -4.268 10.546 -4.606 1.00 0.00 C ATOM 530 C VAL A 35 -5.270 9.849 -3.687 1.00 0.00 C ATOM 531 O VAL A 35 -6.389 9.568 -4.070 1.00 0.00 O ATOM 532 CB VAL A 35 -3.382 9.499 -5.284 1.00 0.00 C ATOM 533 CG1 VAL A 35 -4.261 8.446 -5.961 1.00 0.00 C ATOM 534 CG2 VAL A 35 -2.503 10.180 -6.336 1.00 0.00 C ATOM 0 H VAL A 35 -2.425 11.249 -3.799 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.802 11.114 -5.368 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.751 9.019 -4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.629 7.700 -6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.888 7.961 -5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.893 8.925 -6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.871 9.435 -6.820 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.135 10.660 -7.083 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.876 10.931 -5.855 1.00 0.00 H new ATOM 544 N ILE A 36 -4.877 9.567 -2.475 1.00 0.00 N ATOM 545 CA ILE A 36 -5.808 8.887 -1.533 1.00 0.00 C ATOM 546 C ILE A 36 -6.675 9.928 -0.826 1.00 0.00 C ATOM 547 O ILE A 36 -6.186 10.777 -0.108 1.00 0.00 O ATOM 548 CB ILE A 36 -5.000 8.109 -0.493 1.00 0.00 C ATOM 549 CG1 ILE A 36 -4.129 7.072 -1.197 1.00 0.00 C ATOM 550 CG2 ILE A 36 -5.949 7.392 0.460 1.00 0.00 C ATOM 551 CD1 ILE A 36 -3.157 6.443 -0.193 1.00 0.00 C ATOM 0 H ILE A 36 -3.953 9.778 -2.098 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.447 8.201 -2.089 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.372 8.803 0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.756 6.300 -1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.574 7.541 -2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.372 6.838 1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.579 8.124 0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.576 6.700 -0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.538 5.703 -0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.521 7.219 0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.721 5.958 0.604 1.00 0.00 H new ATOM 563 N ASP A 37 -7.960 9.858 -1.026 1.00 0.00 N ATOM 564 CA ASP A 37 -8.883 10.824 -0.379 1.00 0.00 C ATOM 565 C ASP A 37 -9.769 10.077 0.619 1.00 0.00 C ATOM 566 O ASP A 37 -9.492 8.953 0.988 1.00 0.00 O ATOM 567 CB ASP A 37 -9.756 11.472 -1.452 1.00 0.00 C ATOM 568 CG ASP A 37 -8.896 12.380 -2.332 1.00 0.00 C ATOM 569 OD1 ASP A 37 -7.758 12.624 -1.964 1.00 0.00 O ATOM 570 OD2 ASP A 37 -9.389 12.817 -3.359 1.00 0.00 O ATOM 0 H ASP A 37 -8.414 9.163 -1.618 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.314 11.593 0.143 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.232 10.704 -2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.554 12.050 -0.986 1.00 0.00 H new ATOM 575 N ALA A 38 -10.837 10.686 1.056 1.00 0.00 N ATOM 576 CA ALA A 38 -11.737 10.000 2.024 1.00 0.00 C ATOM 577 C ALA A 38 -12.354 8.783 1.340 1.00 0.00 C ATOM 578 O ALA A 38 -12.244 7.666 1.810 1.00 0.00 O ATOM 579 CB ALA A 38 -12.845 10.958 2.464 1.00 0.00 C ATOM 0 H ALA A 38 -11.124 11.626 0.785 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.170 9.687 2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.502 10.453 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.402 11.833 2.940 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.422 11.271 1.594 1.00 0.00 H new ATOM 585 N LEU A 39 -12.974 8.986 0.212 1.00 0.00 N ATOM 586 CA LEU A 39 -13.563 7.843 -0.525 1.00 0.00 C ATOM 587 C LEU A 39 -12.409 7.002 -1.041 1.00 0.00 C ATOM 588 O LEU A 39 -12.487 5.794 -1.133 1.00 0.00 O ATOM 589 CB LEU A 39 -14.397 8.357 -1.697 1.00 0.00 C ATOM 590 CG LEU A 39 -15.444 9.346 -1.188 1.00 0.00 C ATOM 591 CD1 LEU A 39 -16.392 9.719 -2.328 1.00 0.00 C ATOM 592 CD2 LEU A 39 -16.240 8.706 -0.049 1.00 0.00 C ATOM 0 H LEU A 39 -13.097 9.897 -0.229 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.213 7.255 0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.752 8.841 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.885 7.523 -2.202 1.00 0.00 H new ATOM 0 HG LEU A 39 -14.947 10.244 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.139 10.425 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -15.824 10.177 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -16.890 8.822 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.987 9.412 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.737 7.807 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.564 8.443 0.764 1.00 0.00 H new ATOM 604 N GLY A 40 -11.323 7.648 -1.363 1.00 0.00 N ATOM 605 CA GLY A 40 -10.139 6.911 -1.858 1.00 0.00 C ATOM 606 C GLY A 40 -9.709 5.915 -0.786 1.00 0.00 C ATOM 607 O GLY A 40 -9.364 4.785 -1.071 1.00 0.00 O ATOM 0 H GLY A 40 -11.209 8.660 -1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.377 6.391 -2.786 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.327 7.603 -2.080 1.00 0.00 H new ATOM 611 N LEU A 41 -9.748 6.323 0.451 1.00 0.00 N ATOM 612 CA LEU A 41 -9.367 5.406 1.552 1.00 0.00 C ATOM 613 C LEU A 41 -10.377 4.261 1.614 1.00 0.00 C ATOM 614 O LEU A 41 -10.025 3.111 1.787 1.00 0.00 O ATOM 615 CB LEU A 41 -9.376 6.183 2.868 1.00 0.00 C ATOM 616 CG LEU A 41 -8.933 5.271 4.007 1.00 0.00 C ATOM 617 CD1 LEU A 41 -8.042 6.060 4.967 1.00 0.00 C ATOM 618 CD2 LEU A 41 -10.166 4.766 4.760 1.00 0.00 C ATOM 0 H LEU A 41 -10.029 7.258 0.745 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.371 4.999 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.710 7.043 2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.376 6.569 3.066 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.378 4.424 3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.723 5.412 5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.166 6.427 4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.601 6.904 5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.853 4.114 5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.717 5.614 5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.807 4.210 4.076 1.00 0.00 H new ATOM 630 N LEU A 42 -11.634 4.571 1.460 1.00 0.00 N ATOM 631 CA LEU A 42 -12.668 3.502 1.497 1.00 0.00 C ATOM 632 C LEU A 42 -12.377 2.497 0.386 1.00 0.00 C ATOM 633 O LEU A 42 -12.414 1.299 0.587 1.00 0.00 O ATOM 634 CB LEU A 42 -14.044 4.136 1.257 1.00 0.00 C ATOM 635 CG LEU A 42 -15.131 3.059 1.259 1.00 0.00 C ATOM 636 CD1 LEU A 42 -15.774 2.979 2.645 1.00 0.00 C ATOM 637 CD2 LEU A 42 -16.192 3.413 0.218 1.00 0.00 C ATOM 0 H LEU A 42 -11.988 5.516 1.311 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.656 2.999 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.252 4.874 2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.047 4.664 0.304 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.689 2.093 1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.548 2.211 2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -15.014 2.727 3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -16.219 3.942 2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -16.969 2.648 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -16.634 4.379 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.731 3.465 -0.768 1.00 0.00 H new ATOM 649 N LYS A 43 -12.092 2.981 -0.783 1.00 0.00 N ATOM 650 CA LYS A 43 -11.800 2.066 -1.914 1.00 0.00 C ATOM 651 C LYS A 43 -10.584 1.208 -1.576 1.00 0.00 C ATOM 652 O LYS A 43 -10.502 0.053 -1.943 1.00 0.00 O ATOM 653 CB LYS A 43 -11.509 2.885 -3.169 1.00 0.00 C ATOM 654 CG LYS A 43 -12.765 3.645 -3.597 1.00 0.00 C ATOM 655 CD LYS A 43 -12.491 4.379 -4.912 1.00 0.00 C ATOM 656 CE LYS A 43 -13.701 5.240 -5.277 1.00 0.00 C ATOM 657 NZ LYS A 43 -13.396 6.672 -4.997 1.00 0.00 N ATOM 0 H LYS A 43 -12.048 3.975 -1.006 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.662 1.422 -2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.697 3.586 -2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.179 2.228 -3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.598 2.953 -3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.054 4.357 -2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.603 5.004 -4.814 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.289 3.661 -5.707 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.949 5.109 -6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.572 4.924 -4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.219 7.257 -5.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.180 6.790 -3.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.576 6.970 -5.563 1.00 0.00 H new ATOM 671 N VAL A 44 -9.636 1.765 -0.878 1.00 0.00 N ATOM 672 CA VAL A 44 -8.424 0.987 -0.516 1.00 0.00 C ATOM 673 C VAL A 44 -8.829 -0.226 0.318 1.00 0.00 C ATOM 674 O VAL A 44 -8.332 -1.316 0.126 1.00 0.00 O ATOM 675 CB VAL A 44 -7.472 1.868 0.295 1.00 0.00 C ATOM 676 CG1 VAL A 44 -6.307 1.021 0.811 1.00 0.00 C ATOM 677 CG2 VAL A 44 -6.930 2.986 -0.597 1.00 0.00 C ATOM 0 H VAL A 44 -9.650 2.728 -0.542 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.923 0.654 -1.425 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.009 2.301 1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.629 1.649 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.691 0.222 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.770 0.588 -0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.251 3.615 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.393 2.551 -1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.758 3.590 -0.967 1.00 0.00 H new ATOM 687 N ILE A 45 -9.716 -0.039 1.250 1.00 0.00 N ATOM 688 CA ILE A 45 -10.145 -1.169 2.116 1.00 0.00 C ATOM 689 C ILE A 45 -10.926 -2.217 1.312 1.00 0.00 C ATOM 690 O ILE A 45 -10.794 -3.404 1.534 1.00 0.00 O ATOM 691 CB ILE A 45 -11.047 -0.628 3.222 1.00 0.00 C ATOM 692 CG1 ILE A 45 -10.397 0.591 3.885 1.00 0.00 C ATOM 693 CG2 ILE A 45 -11.258 -1.714 4.270 1.00 0.00 C ATOM 694 CD1 ILE A 45 -8.895 0.363 4.062 1.00 0.00 C ATOM 0 H ILE A 45 -10.166 0.854 1.451 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.256 -1.642 2.534 1.00 0.00 H new ATOM 0 HB ILE A 45 -12.003 -0.332 2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.567 1.479 3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.860 0.776 4.854 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.902 -1.334 5.063 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.728 -2.581 3.806 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.296 -2.005 4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.447 1.238 4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.731 -0.512 4.691 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.434 0.201 3.088 1.00 0.00 H new ATOM 706 N ALA A 46 -11.771 -1.790 0.412 1.00 0.00 N ATOM 707 CA ALA A 46 -12.598 -2.766 -0.363 1.00 0.00 C ATOM 708 C ALA A 46 -11.744 -3.641 -1.289 1.00 0.00 C ATOM 709 O ALA A 46 -11.892 -4.849 -1.316 1.00 0.00 O ATOM 710 CB ALA A 46 -13.613 -1.996 -1.207 1.00 0.00 C ATOM 0 H ALA A 46 -11.926 -0.809 0.179 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.097 -3.422 0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.221 -2.699 -1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.256 -1.406 -0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.087 -1.333 -1.894 1.00 0.00 H new ATOM 716 N TRP A 47 -10.870 -3.065 -2.066 1.00 0.00 N ATOM 717 CA TRP A 47 -10.059 -3.909 -2.993 1.00 0.00 C ATOM 718 C TRP A 47 -8.916 -4.590 -2.242 1.00 0.00 C ATOM 719 O TRP A 47 -8.664 -5.766 -2.416 1.00 0.00 O ATOM 720 CB TRP A 47 -9.476 -3.049 -4.116 1.00 0.00 C ATOM 721 CG TRP A 47 -7.992 -3.236 -4.160 1.00 0.00 C ATOM 722 CD1 TRP A 47 -7.353 -4.374 -4.518 1.00 0.00 C ATOM 723 CD2 TRP A 47 -6.957 -2.273 -3.837 1.00 0.00 C ATOM 724 NE1 TRP A 47 -5.988 -4.172 -4.415 1.00 0.00 N ATOM 725 CE2 TRP A 47 -5.694 -2.887 -4.000 1.00 0.00 C ATOM 726 CE3 TRP A 47 -6.997 -0.940 -3.417 1.00 0.00 C ATOM 727 CZ2 TRP A 47 -4.510 -2.195 -3.749 1.00 0.00 C ATOM 728 CZ3 TRP A 47 -5.808 -0.236 -3.165 1.00 0.00 C ATOM 729 CH2 TRP A 47 -4.566 -0.863 -3.329 1.00 0.00 C ATOM 0 H TRP A 47 -10.682 -2.063 -2.102 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.714 -4.671 -3.416 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -9.918 -3.330 -5.072 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.717 -1.999 -3.949 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.830 -5.290 -4.833 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.286 -4.883 -4.620 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.949 -0.448 -3.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.556 -2.685 -3.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.851 0.794 -2.843 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.654 -0.319 -3.131 1.00 0.00 H new ATOM 740 N LEU A 48 -8.199 -3.863 -1.435 1.00 0.00 N ATOM 741 CA LEU A 48 -7.053 -4.480 -0.714 1.00 0.00 C ATOM 742 C LEU A 48 -7.543 -5.654 0.136 1.00 0.00 C ATOM 743 O LEU A 48 -6.932 -6.705 0.164 1.00 0.00 O ATOM 744 CB LEU A 48 -6.394 -3.417 0.183 1.00 0.00 C ATOM 745 CG LEU A 48 -5.174 -3.986 0.933 1.00 0.00 C ATOM 746 CD1 LEU A 48 -5.621 -4.921 2.064 1.00 0.00 C ATOM 747 CD2 LEU A 48 -4.271 -4.754 -0.036 1.00 0.00 C ATOM 0 H LEU A 48 -8.355 -2.873 -1.244 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.324 -4.852 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.084 -2.568 -0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.123 -3.044 0.903 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.619 -3.152 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.744 -5.312 2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.242 -4.368 2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.195 -5.748 1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.412 -5.152 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.831 -5.576 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.926 -4.082 -0.822 1.00 0.00 H new ATOM 759 N GLU A 49 -8.639 -5.497 0.825 1.00 0.00 N ATOM 760 CA GLU A 49 -9.144 -6.616 1.664 1.00 0.00 C ATOM 761 C GLU A 49 -9.657 -7.744 0.764 1.00 0.00 C ATOM 762 O GLU A 49 -9.499 -8.909 1.066 1.00 0.00 O ATOM 763 CB GLU A 49 -10.272 -6.109 2.564 1.00 0.00 C ATOM 764 CG GLU A 49 -11.537 -5.902 1.736 1.00 0.00 C ATOM 765 CD GLU A 49 -12.327 -7.210 1.666 1.00 0.00 C ATOM 766 OE1 GLU A 49 -11.795 -8.225 2.084 1.00 0.00 O ATOM 767 OE2 GLU A 49 -13.452 -7.175 1.196 1.00 0.00 O ATOM 0 H GLU A 49 -9.203 -4.647 0.843 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.335 -7.000 2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.462 -6.825 3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.979 -5.172 3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.151 -5.119 2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.275 -5.570 0.731 1.00 0.00 H new ATOM 774 N ASP A 50 -10.268 -7.409 -0.339 1.00 0.00 N ATOM 775 CA ASP A 50 -10.787 -8.463 -1.256 1.00 0.00 C ATOM 776 C ASP A 50 -9.632 -9.313 -1.798 1.00 0.00 C ATOM 777 O ASP A 50 -9.758 -10.508 -1.979 1.00 0.00 O ATOM 778 CB ASP A 50 -11.512 -7.797 -2.423 1.00 0.00 C ATOM 779 CG ASP A 50 -12.227 -8.861 -3.257 1.00 0.00 C ATOM 780 OD1 ASP A 50 -12.215 -10.012 -2.851 1.00 0.00 O ATOM 781 OD2 ASP A 50 -12.775 -8.508 -4.288 1.00 0.00 O ATOM 0 H ASP A 50 -10.430 -6.450 -0.645 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.473 -9.107 -0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.232 -7.069 -2.049 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.800 -7.252 -3.043 1.00 0.00 H new ATOM 786 N ARG A 51 -8.518 -8.699 -2.080 1.00 0.00 N ATOM 787 CA ARG A 51 -7.358 -9.452 -2.636 1.00 0.00 C ATOM 788 C ARG A 51 -6.874 -10.539 -1.673 1.00 0.00 C ATOM 789 O ARG A 51 -6.487 -11.611 -2.092 1.00 0.00 O ATOM 790 CB ARG A 51 -6.218 -8.475 -2.907 1.00 0.00 C ATOM 791 CG ARG A 51 -6.563 -7.619 -4.125 1.00 0.00 C ATOM 792 CD ARG A 51 -6.118 -8.345 -5.395 1.00 0.00 C ATOM 793 NE ARG A 51 -7.001 -7.954 -6.529 1.00 0.00 N ATOM 794 CZ ARG A 51 -6.653 -8.241 -7.754 1.00 0.00 C ATOM 795 NH1 ARG A 51 -5.534 -8.872 -7.984 1.00 0.00 N ATOM 796 NH2 ARG A 51 -7.425 -7.898 -8.748 1.00 0.00 N ATOM 0 H ARG A 51 -8.359 -7.700 -1.948 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.677 -9.939 -3.558 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.054 -7.840 -2.037 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.291 -9.020 -3.083 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.636 -7.429 -4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.069 -6.650 -4.054 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.082 -8.096 -5.625 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.160 -9.424 -5.243 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.876 -7.463 -6.349 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.931 -9.141 -7.206 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.262 -9.096 -8.941 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.300 -7.406 -8.568 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.154 -8.122 -9.705 1.00 0.00 H new ATOM 810 N PHE A 52 -6.869 -10.280 -0.395 1.00 0.00 N ATOM 811 CA PHE A 52 -6.381 -11.312 0.557 1.00 0.00 C ATOM 812 C PHE A 52 -7.559 -12.096 1.137 1.00 0.00 C ATOM 813 O PHE A 52 -7.380 -13.074 1.835 1.00 0.00 O ATOM 814 CB PHE A 52 -5.597 -10.624 1.673 1.00 0.00 C ATOM 815 CG PHE A 52 -4.314 -10.076 1.097 1.00 0.00 C ATOM 816 CD1 PHE A 52 -4.306 -8.824 0.470 1.00 0.00 C ATOM 817 CD2 PHE A 52 -3.135 -10.826 1.178 1.00 0.00 C ATOM 818 CE1 PHE A 52 -3.116 -8.321 -0.073 1.00 0.00 C ATOM 819 CE2 PHE A 52 -1.946 -10.324 0.635 1.00 0.00 C ATOM 820 CZ PHE A 52 -1.937 -9.071 0.010 1.00 0.00 C ATOM 0 H PHE A 52 -7.179 -9.405 0.027 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.731 -12.014 0.035 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.189 -9.820 2.110 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.380 -11.331 2.474 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.216 -8.246 0.405 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.142 -11.793 1.660 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.109 -7.355 -0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.036 -10.903 0.698 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.020 -8.683 -0.408 1.00 0.00 H new ATOM 830 N GLY A 53 -8.763 -11.686 0.850 1.00 0.00 N ATOM 831 CA GLY A 53 -9.939 -12.420 1.384 1.00 0.00 C ATOM 832 C GLY A 53 -10.031 -12.171 2.882 1.00 0.00 C ATOM 833 O GLY A 53 -10.480 -13.012 3.636 1.00 0.00 O ATOM 0 H GLY A 53 -8.981 -10.876 0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.850 -12.085 0.889 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.841 -13.487 1.184 1.00 0.00 H new ATOM 837 N ILE A 54 -9.596 -11.022 3.321 1.00 0.00 N ATOM 838 CA ILE A 54 -9.642 -10.714 4.773 1.00 0.00 C ATOM 839 C ILE A 54 -10.720 -9.665 5.045 1.00 0.00 C ATOM 840 O ILE A 54 -11.057 -8.869 4.192 1.00 0.00 O ATOM 841 CB ILE A 54 -8.277 -10.186 5.210 1.00 0.00 C ATOM 842 CG1 ILE A 54 -7.971 -8.891 4.452 1.00 0.00 C ATOM 843 CG2 ILE A 54 -7.204 -11.230 4.898 1.00 0.00 C ATOM 844 CD1 ILE A 54 -6.588 -8.379 4.851 1.00 0.00 C ATOM 0 H ILE A 54 -9.210 -10.283 2.733 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.882 -11.616 5.335 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.285 -9.987 6.282 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.008 -9.069 3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.727 -8.139 4.677 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.229 -10.854 5.209 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.426 -12.152 5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.191 -11.429 3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.371 -7.457 4.311 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.567 -8.185 5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.837 -9.129 4.604 1.00 0.00 H new ATOM 856 N ALA A 55 -11.267 -9.664 6.229 1.00 0.00 N ATOM 857 CA ALA A 55 -12.328 -8.673 6.563 1.00 0.00 C ATOM 858 C ALA A 55 -11.742 -7.576 7.451 1.00 0.00 C ATOM 859 O ALA A 55 -10.751 -7.774 8.128 1.00 0.00 O ATOM 860 CB ALA A 55 -13.465 -9.377 7.307 1.00 0.00 C ATOM 0 H ALA A 55 -11.024 -10.308 6.981 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.712 -8.229 5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.242 -8.653 7.552 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.884 -10.159 6.674 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.079 -9.820 8.225 1.00 0.00 H new ATOM 866 N ALA A 56 -12.344 -6.420 7.456 1.00 0.00 N ATOM 867 CA ALA A 56 -11.820 -5.312 8.301 1.00 0.00 C ATOM 868 C ALA A 56 -11.793 -5.765 9.763 1.00 0.00 C ATOM 869 O ALA A 56 -11.026 -5.265 10.561 1.00 0.00 O ATOM 870 CB ALA A 56 -12.728 -4.088 8.161 1.00 0.00 C ATOM 0 H ALA A 56 -13.176 -6.195 6.911 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.812 -5.051 7.979 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.344 -3.277 8.780 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.751 -3.769 7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.737 -4.344 8.484 1.00 0.00 H new ATOM 876 N ASP A 57 -12.632 -6.703 10.117 1.00 0.00 N ATOM 877 CA ASP A 57 -12.671 -7.193 11.518 1.00 0.00 C ATOM 878 C ASP A 57 -12.987 -6.026 12.445 1.00 0.00 C ATOM 879 O ASP A 57 -12.446 -5.910 13.526 1.00 0.00 O ATOM 880 CB ASP A 57 -11.324 -7.811 11.887 1.00 0.00 C ATOM 881 CG ASP A 57 -11.408 -8.430 13.284 1.00 0.00 C ATOM 882 OD1 ASP A 57 -12.492 -8.437 13.842 1.00 0.00 O ATOM 883 OD2 ASP A 57 -10.385 -8.884 13.771 1.00 0.00 O ATOM 0 H ASP A 57 -13.296 -7.152 9.486 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.443 -7.955 11.621 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.050 -8.572 11.157 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -10.544 -7.050 11.862 1.00 0.00 H new ATOM 888 N ASP A 58 -13.875 -5.165 12.026 1.00 0.00 N ATOM 889 CA ASP A 58 -14.253 -4.004 12.874 1.00 0.00 C ATOM 890 C ASP A 58 -13.005 -3.213 13.274 1.00 0.00 C ATOM 891 O ASP A 58 -12.849 -2.820 14.413 1.00 0.00 O ATOM 892 CB ASP A 58 -14.964 -4.518 14.120 1.00 0.00 C ATOM 893 CG ASP A 58 -16.329 -5.090 13.732 1.00 0.00 C ATOM 894 OD1 ASP A 58 -16.734 -4.884 12.600 1.00 0.00 O ATOM 895 OD2 ASP A 58 -16.944 -5.724 14.573 1.00 0.00 O ATOM 0 H ASP A 58 -14.356 -5.218 11.128 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.916 -3.343 12.315 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.361 -5.286 14.605 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.089 -3.709 14.840 1.00 0.00 H new ATOM 900 N VAL A 59 -12.123 -2.966 12.340 1.00 0.00 N ATOM 901 CA VAL A 59 -10.889 -2.188 12.656 1.00 0.00 C ATOM 902 C VAL A 59 -10.840 -0.944 11.769 1.00 0.00 C ATOM 903 O VAL A 59 -11.078 -1.011 10.578 1.00 0.00 O ATOM 904 CB VAL A 59 -9.656 -3.048 12.394 1.00 0.00 C ATOM 905 CG1 VAL A 59 -8.396 -2.266 12.772 1.00 0.00 C ATOM 906 CG2 VAL A 59 -9.734 -4.322 13.235 1.00 0.00 C ATOM 0 H VAL A 59 -12.205 -3.271 11.370 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.904 -1.893 13.705 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.617 -3.311 11.337 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.516 -2.881 12.584 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.338 -1.358 12.173 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.435 -2.001 13.829 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.853 -4.936 13.048 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.774 -4.058 14.292 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.630 -4.881 12.966 1.00 0.00 H new ATOM 916 N GLU A 60 -10.536 0.191 12.334 1.00 0.00 N ATOM 917 CA GLU A 60 -10.476 1.436 11.515 1.00 0.00 C ATOM 918 C GLU A 60 -9.016 1.789 11.224 1.00 0.00 C ATOM 919 O GLU A 60 -8.180 1.794 12.105 1.00 0.00 O ATOM 920 CB GLU A 60 -11.134 2.582 12.284 1.00 0.00 C ATOM 921 CG GLU A 60 -11.208 3.818 11.393 1.00 0.00 C ATOM 922 CD GLU A 60 -11.771 4.993 12.194 1.00 0.00 C ATOM 923 OE1 GLU A 60 -12.044 4.808 13.369 1.00 0.00 O ATOM 924 OE2 GLU A 60 -11.922 6.058 11.619 1.00 0.00 O ATOM 0 H GLU A 60 -10.327 0.311 13.325 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.004 1.277 10.575 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.135 2.291 12.604 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.563 2.804 13.185 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.217 4.065 11.013 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.840 3.618 10.528 1.00 0.00 H new ATOM 931 N LEU A 61 -8.706 2.087 9.993 1.00 0.00 N ATOM 932 CA LEU A 61 -7.310 2.444 9.638 1.00 0.00 C ATOM 933 C LEU A 61 -7.158 3.965 9.654 1.00 0.00 C ATOM 934 O LEU A 61 -8.080 4.691 9.341 1.00 0.00 O ATOM 935 CB LEU A 61 -6.997 1.913 8.239 1.00 0.00 C ATOM 936 CG LEU A 61 -7.265 0.409 8.187 1.00 0.00 C ATOM 937 CD1 LEU A 61 -6.836 -0.140 6.826 1.00 0.00 C ATOM 938 CD2 LEU A 61 -6.470 -0.292 9.290 1.00 0.00 C ATOM 0 H LEU A 61 -9.366 2.098 9.215 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.621 2.003 10.358 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.610 2.427 7.499 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.956 2.116 7.987 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.330 0.227 8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.027 -1.212 6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.403 0.357 6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.772 0.044 6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.662 -1.364 9.252 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.406 -0.109 9.144 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.775 0.097 10.262 1.00 0.00 H new ATOM 950 N SER A 62 -6.002 4.454 10.014 1.00 0.00 N ATOM 951 CA SER A 62 -5.794 5.925 10.046 1.00 0.00 C ATOM 952 C SER A 62 -4.959 6.333 8.836 1.00 0.00 C ATOM 953 O SER A 62 -4.244 5.530 8.270 1.00 0.00 O ATOM 954 CB SER A 62 -5.058 6.310 11.330 1.00 0.00 C ATOM 955 OG SER A 62 -3.940 7.124 11.004 1.00 0.00 O ATOM 0 H SER A 62 -5.193 3.895 10.287 1.00 0.00 H new ATOM 0 HA SER A 62 -6.757 6.435 10.019 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.729 6.846 12.001 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.729 5.414 11.857 1.00 0.00 H new ATOM 0 HG SER A 62 -3.467 7.374 11.825 1.00 0.00 H new ATOM 961 N PRO A 63 -5.042 7.572 8.443 1.00 0.00 N ATOM 962 CA PRO A 63 -4.280 8.090 7.279 1.00 0.00 C ATOM 963 C PRO A 63 -2.800 7.702 7.375 1.00 0.00 C ATOM 964 O PRO A 63 -2.080 7.694 6.396 1.00 0.00 O ATOM 965 CB PRO A 63 -4.444 9.615 7.356 1.00 0.00 C ATOM 966 CG PRO A 63 -5.178 9.906 8.630 1.00 0.00 C ATOM 967 CD PRO A 63 -5.864 8.613 9.060 1.00 0.00 C ATOM 0 HA PRO A 63 -4.643 7.679 6.337 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.473 10.110 7.348 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.999 9.988 6.496 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.489 10.251 9.401 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.911 10.699 8.480 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.890 8.514 10.145 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.896 8.570 8.711 1.00 0.00 H new ATOM 975 N GLU A 64 -2.353 7.367 8.557 1.00 0.00 N ATOM 976 CA GLU A 64 -0.935 6.963 8.746 1.00 0.00 C ATOM 977 C GLU A 64 -0.691 5.624 8.063 1.00 0.00 C ATOM 978 O GLU A 64 0.384 5.354 7.568 1.00 0.00 O ATOM 979 CB GLU A 64 -0.644 6.840 10.241 1.00 0.00 C ATOM 980 CG GLU A 64 0.811 6.445 10.453 1.00 0.00 C ATOM 981 CD GLU A 64 1.083 6.271 11.949 1.00 0.00 C ATOM 982 OE1 GLU A 64 0.151 6.419 12.721 1.00 0.00 O ATOM 983 OE2 GLU A 64 2.219 5.990 12.296 1.00 0.00 O ATOM 0 H GLU A 64 -2.918 7.357 9.406 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.277 7.713 8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.850 7.787 10.740 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.302 6.095 10.689 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.027 5.517 9.923 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.470 7.209 10.040 1.00 0.00 H new ATOM 990 N HIS A 65 -1.682 4.783 8.030 1.00 0.00 N ATOM 991 CA HIS A 65 -1.507 3.460 7.378 1.00 0.00 C ATOM 992 C HIS A 65 -1.299 3.672 5.883 1.00 0.00 C ATOM 993 O HIS A 65 -0.822 2.806 5.177 1.00 0.00 O ATOM 994 CB HIS A 65 -2.758 2.617 7.606 1.00 0.00 C ATOM 995 CG HIS A 65 -2.923 1.629 6.483 1.00 0.00 C ATOM 996 ND1 HIS A 65 -2.765 0.262 6.666 1.00 0.00 N ATOM 997 CD2 HIS A 65 -3.246 1.795 5.158 1.00 0.00 C ATOM 998 CE1 HIS A 65 -2.994 -0.334 5.480 1.00 0.00 C ATOM 999 NE2 HIS A 65 -3.288 0.555 4.532 1.00 0.00 N ATOM 0 H HIS A 65 -2.606 4.954 8.426 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.644 2.946 7.801 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.683 2.090 8.557 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.635 3.261 7.667 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.520 -0.206 7.539 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.438 2.743 4.677 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.945 -1.401 5.318 1.00 0.00 H new ATOM 1008 N PHE A 66 -1.658 4.824 5.404 1.00 0.00 N ATOM 1009 CA PHE A 66 -1.493 5.121 3.962 1.00 0.00 C ATOM 1010 C PHE A 66 -0.258 6.001 3.788 1.00 0.00 C ATOM 1011 O PHE A 66 -0.047 6.612 2.759 1.00 0.00 O ATOM 1012 CB PHE A 66 -2.734 5.856 3.456 1.00 0.00 C ATOM 1013 CG PHE A 66 -3.972 5.144 3.951 1.00 0.00 C ATOM 1014 CD1 PHE A 66 -4.324 5.211 5.305 1.00 0.00 C ATOM 1015 CD2 PHE A 66 -4.773 4.424 3.057 1.00 0.00 C ATOM 1016 CE1 PHE A 66 -5.471 4.560 5.766 1.00 0.00 C ATOM 1017 CE2 PHE A 66 -5.922 3.772 3.520 1.00 0.00 C ATOM 1018 CZ PHE A 66 -6.269 3.842 4.874 1.00 0.00 C ATOM 0 H PHE A 66 -2.063 5.580 5.956 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.370 4.199 3.394 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.729 6.888 3.808 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.731 5.891 2.367 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.707 5.768 5.995 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.505 4.372 2.012 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.740 4.612 6.811 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.541 3.215 2.832 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.156 3.339 5.229 1.00 0.00 H new ATOM 1028 N ARG A 67 0.552 6.066 4.804 1.00 0.00 N ATOM 1029 CA ARG A 67 1.778 6.897 4.745 1.00 0.00 C ATOM 1030 C ARG A 67 2.511 6.655 3.423 1.00 0.00 C ATOM 1031 O ARG A 67 3.043 7.570 2.826 1.00 0.00 O ATOM 1032 CB ARG A 67 2.671 6.503 5.921 1.00 0.00 C ATOM 1033 CG ARG A 67 3.058 5.027 5.789 1.00 0.00 C ATOM 1034 CD ARG A 67 3.077 4.354 7.167 1.00 0.00 C ATOM 1035 NE ARG A 67 4.136 3.307 7.193 1.00 0.00 N ATOM 1036 CZ ARG A 67 4.306 2.575 8.259 1.00 0.00 C ATOM 1037 NH1 ARG A 67 3.548 2.761 9.305 1.00 0.00 N ATOM 1038 NH2 ARG A 67 5.232 1.655 8.280 1.00 0.00 N ATOM 0 H ARG A 67 0.413 5.571 5.685 1.00 0.00 H new ATOM 0 HA ARG A 67 1.522 7.955 4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.566 7.125 5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.148 6.671 6.862 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.350 4.516 5.137 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.039 4.942 5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.265 5.096 7.943 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.105 3.909 7.380 1.00 0.00 H new ATOM 0 HE ARG A 67 4.729 3.162 6.376 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.823 3.478 9.288 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.680 2.189 10.139 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.824 1.508 7.462 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.364 1.083 9.114 1.00 0.00 H new ATOM 1052 N SER A 68 2.538 5.438 2.953 1.00 0.00 N ATOM 1053 CA SER A 68 3.232 5.162 1.666 1.00 0.00 C ATOM 1054 C SER A 68 2.802 3.800 1.125 1.00 0.00 C ATOM 1055 O SER A 68 2.332 2.949 1.853 1.00 0.00 O ATOM 1056 CB SER A 68 4.745 5.166 1.885 1.00 0.00 C ATOM 1057 OG SER A 68 5.108 4.037 2.670 1.00 0.00 O ATOM 0 H SER A 68 2.112 4.628 3.402 1.00 0.00 H new ATOM 0 HA SER A 68 2.966 5.936 0.946 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.263 5.139 0.926 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.049 6.085 2.386 1.00 0.00 H new ATOM 0 HG SER A 68 6.078 4.035 2.811 1.00 0.00 H new ATOM 1063 N ILE A 69 2.980 3.585 -0.147 1.00 0.00 N ATOM 1064 CA ILE A 69 2.607 2.282 -0.742 1.00 0.00 C ATOM 1065 C ILE A 69 3.379 1.188 -0.011 1.00 0.00 C ATOM 1066 O ILE A 69 2.890 0.098 0.206 1.00 0.00 O ATOM 1067 CB ILE A 69 2.992 2.286 -2.218 1.00 0.00 C ATOM 1068 CG1 ILE A 69 2.431 3.546 -2.876 1.00 0.00 C ATOM 1069 CG2 ILE A 69 2.404 1.055 -2.895 1.00 0.00 C ATOM 1070 CD1 ILE A 69 3.544 4.581 -3.051 1.00 0.00 C ATOM 0 H ILE A 69 3.371 4.263 -0.801 1.00 0.00 H new ATOM 0 HA ILE A 69 1.535 2.106 -0.650 1.00 0.00 H new ATOM 0 HB ILE A 69 4.077 2.271 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.997 3.299 -3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.630 3.961 -2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.677 1.055 -3.950 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.795 0.156 -2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.318 1.072 -2.801 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.137 5.477 -3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.958 4.838 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.331 4.166 -3.681 1.00 0.00 H new ATOM 1082 N ARG A 70 4.588 1.487 0.375 1.00 0.00 N ATOM 1083 CA ARG A 70 5.415 0.488 1.102 1.00 0.00 C ATOM 1084 C ARG A 70 4.672 0.057 2.367 1.00 0.00 C ATOM 1085 O ARG A 70 4.634 -1.105 2.716 1.00 0.00 O ATOM 1086 CB ARG A 70 6.731 1.151 1.511 1.00 0.00 C ATOM 1087 CG ARG A 70 7.447 1.688 0.273 1.00 0.00 C ATOM 1088 CD ARG A 70 8.388 2.820 0.693 1.00 0.00 C ATOM 1089 NE ARG A 70 9.439 2.283 1.601 1.00 0.00 N ATOM 1090 CZ ARG A 70 10.143 3.099 2.337 1.00 0.00 C ATOM 1091 NH1 ARG A 70 9.927 4.385 2.276 1.00 0.00 N ATOM 1092 NH2 ARG A 70 11.064 2.629 3.134 1.00 0.00 N ATOM 0 H ARG A 70 5.040 2.387 0.216 1.00 0.00 H new ATOM 0 HA ARG A 70 5.606 -0.377 0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.537 1.964 2.211 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.367 0.431 2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.010 0.891 -0.212 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.721 2.052 -0.454 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.848 3.270 -0.187 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.826 3.607 1.196 1.00 0.00 H new ATOM 0 HE ARG A 70 9.609 1.278 1.648 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.208 4.752 1.653 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.477 5.022 2.851 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.233 1.624 3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.614 3.267 3.709 1.00 0.00 H new ATOM 1106 N SER A 71 4.084 0.997 3.053 1.00 0.00 N ATOM 1107 CA SER A 71 3.339 0.667 4.299 1.00 0.00 C ATOM 1108 C SER A 71 2.127 -0.204 3.968 1.00 0.00 C ATOM 1109 O SER A 71 1.786 -1.113 4.699 1.00 0.00 O ATOM 1110 CB SER A 71 2.867 1.961 4.959 1.00 0.00 C ATOM 1111 OG SER A 71 2.435 1.682 6.285 1.00 0.00 O ATOM 0 H SER A 71 4.088 1.986 2.802 1.00 0.00 H new ATOM 0 HA SER A 71 3.996 0.122 4.977 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.676 2.691 4.974 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.052 2.400 4.384 1.00 0.00 H new ATOM 0 HG SER A 71 1.493 1.933 6.382 1.00 0.00 H new ATOM 1117 N ILE A 72 1.463 0.073 2.879 1.00 0.00 N ATOM 1118 CA ILE A 72 0.269 -0.727 2.514 1.00 0.00 C ATOM 1119 C ILE A 72 0.660 -2.198 2.363 1.00 0.00 C ATOM 1120 O ILE A 72 0.056 -3.075 2.949 1.00 0.00 O ATOM 1121 CB ILE A 72 -0.288 -0.206 1.191 1.00 0.00 C ATOM 1122 CG1 ILE A 72 -0.635 1.278 1.336 1.00 0.00 C ATOM 1123 CG2 ILE A 72 -1.545 -0.988 0.830 1.00 0.00 C ATOM 1124 CD1 ILE A 72 -1.100 1.827 -0.014 1.00 0.00 C ATOM 0 H ILE A 72 1.700 0.821 2.228 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.487 -0.639 3.295 1.00 0.00 H new ATOM 0 HB ILE A 72 0.457 -0.331 0.405 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.418 1.408 2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.235 1.833 1.686 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.945 -0.618 -0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.300 -2.045 0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.291 -0.861 1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.347 2.884 0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.303 1.710 -0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.982 1.279 -0.346 1.00 0.00 H new ATOM 1136 N ASP A 73 1.673 -2.477 1.590 1.00 0.00 N ATOM 1137 CA ASP A 73 2.104 -3.890 1.417 1.00 0.00 C ATOM 1138 C ASP A 73 2.545 -4.436 2.773 1.00 0.00 C ATOM 1139 O ASP A 73 2.259 -5.562 3.131 1.00 0.00 O ATOM 1140 CB ASP A 73 3.279 -3.950 0.440 1.00 0.00 C ATOM 1141 CG ASP A 73 3.488 -5.394 -0.022 1.00 0.00 C ATOM 1142 OD1 ASP A 73 2.675 -6.231 0.332 1.00 0.00 O ATOM 1143 OD2 ASP A 73 4.457 -5.637 -0.722 1.00 0.00 O ATOM 0 H ASP A 73 2.219 -1.788 1.072 1.00 0.00 H new ATOM 0 HA ASP A 73 1.279 -4.485 1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.085 -3.307 -0.419 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.184 -3.576 0.920 1.00 0.00 H new ATOM 1148 N ALA A 74 3.246 -3.636 3.526 1.00 0.00 N ATOM 1149 CA ALA A 74 3.719 -4.080 4.863 1.00 0.00 C ATOM 1150 C ALA A 74 2.526 -4.290 5.795 1.00 0.00 C ATOM 1151 O ALA A 74 2.513 -5.195 6.604 1.00 0.00 O ATOM 1152 CB ALA A 74 4.641 -3.008 5.445 1.00 0.00 C ATOM 0 H ALA A 74 3.513 -2.686 3.269 1.00 0.00 H new ATOM 0 HA ALA A 74 4.260 -5.021 4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.993 -3.325 6.427 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.494 -2.863 4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.093 -2.070 5.541 1.00 0.00 H new ATOM 1158 N PHE A 75 1.529 -3.456 5.698 1.00 0.00 N ATOM 1159 CA PHE A 75 0.345 -3.611 6.589 1.00 0.00 C ATOM 1160 C PHE A 75 -0.304 -4.977 6.356 1.00 0.00 C ATOM 1161 O PHE A 75 -0.582 -5.708 7.286 1.00 0.00 O ATOM 1162 CB PHE A 75 -0.671 -2.513 6.284 1.00 0.00 C ATOM 1163 CG PHE A 75 -1.812 -2.596 7.269 1.00 0.00 C ATOM 1164 CD1 PHE A 75 -1.728 -1.924 8.494 1.00 0.00 C ATOM 1165 CD2 PHE A 75 -2.954 -3.345 6.958 1.00 0.00 C ATOM 1166 CE1 PHE A 75 -2.786 -2.002 9.409 1.00 0.00 C ATOM 1167 CE2 PHE A 75 -4.011 -3.421 7.872 1.00 0.00 C ATOM 1168 CZ PHE A 75 -3.927 -2.750 9.098 1.00 0.00 C ATOM 0 H PHE A 75 1.482 -2.676 5.043 1.00 0.00 H new ATOM 0 HA PHE A 75 0.667 -3.535 7.627 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.194 -1.535 6.345 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.046 -2.622 5.266 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.848 -1.346 8.734 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.019 -3.864 6.013 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.721 -1.485 10.355 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.892 -3.998 7.632 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.743 -2.810 9.803 1.00 0.00 H new ATOM 1178 N VAL A 76 -0.550 -5.328 5.123 1.00 0.00 N ATOM 1179 CA VAL A 76 -1.181 -6.641 4.833 1.00 0.00 C ATOM 1180 C VAL A 76 -0.221 -7.768 5.216 1.00 0.00 C ATOM 1181 O VAL A 76 -0.600 -8.727 5.861 1.00 0.00 O ATOM 1182 CB VAL A 76 -1.484 -6.721 3.341 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -2.033 -8.104 3.015 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -2.520 -5.659 2.973 1.00 0.00 C ATOM 0 H VAL A 76 -0.339 -4.758 4.304 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.102 -6.743 5.408 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.571 -6.546 2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.251 -8.167 1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.294 -8.860 3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.947 -8.276 3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.737 -5.716 1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.435 -5.832 3.539 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.128 -4.670 3.211 1.00 0.00 H new ATOM 1194 N VAL A 77 1.019 -7.663 4.824 1.00 0.00 N ATOM 1195 CA VAL A 77 2.001 -8.721 5.160 1.00 0.00 C ATOM 1196 C VAL A 77 2.223 -8.740 6.673 1.00 0.00 C ATOM 1197 O VAL A 77 2.331 -9.782 7.285 1.00 0.00 O ATOM 1198 CB VAL A 77 3.316 -8.411 4.449 1.00 0.00 C ATOM 1199 CG1 VAL A 77 4.347 -9.478 4.795 1.00 0.00 C ATOM 1200 CG2 VAL A 77 3.087 -8.395 2.937 1.00 0.00 C ATOM 0 H VAL A 77 1.392 -6.883 4.282 1.00 0.00 H new ATOM 0 HA VAL A 77 1.631 -9.695 4.840 1.00 0.00 H new ATOM 0 HB VAL A 77 3.681 -7.436 4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.285 -9.256 4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.512 -9.489 5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.983 -10.454 4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.026 -8.174 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.721 -9.370 2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.351 -7.630 2.689 1.00 0.00 H new ATOM 1210 N GLY A 78 2.296 -7.586 7.275 1.00 0.00 N ATOM 1211 CA GLY A 78 2.517 -7.515 8.746 1.00 0.00 C ATOM 1212 C GLY A 78 1.381 -8.225 9.488 1.00 0.00 C ATOM 1213 O GLY A 78 1.591 -8.860 10.502 1.00 0.00 O ATOM 0 H GLY A 78 2.211 -6.683 6.808 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.471 -7.977 9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.572 -6.473 9.063 1.00 0.00 H new ATOM 1217 N ALA A 79 0.175 -8.104 9.003 1.00 0.00 N ATOM 1218 CA ALA A 79 -0.978 -8.753 9.695 1.00 0.00 C ATOM 1219 C ALA A 79 -0.961 -10.270 9.490 1.00 0.00 C ATOM 1220 O ALA A 79 -1.218 -11.028 10.403 1.00 0.00 O ATOM 1221 CB ALA A 79 -2.285 -8.185 9.138 1.00 0.00 C ATOM 0 H ALA A 79 -0.063 -7.584 8.158 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.899 -8.548 10.763 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.130 -8.656 9.640 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.316 -7.109 9.308 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.342 -8.385 8.068 1.00 0.00 H new ATOM 1227 N THR A 80 -0.667 -10.724 8.304 1.00 0.00 N ATOM 1228 CA THR A 80 -0.648 -12.194 8.059 1.00 0.00 C ATOM 1229 C THR A 80 0.696 -12.762 8.492 1.00 0.00 C ATOM 1230 O THR A 80 0.785 -13.859 9.008 1.00 0.00 O ATOM 1231 CB THR A 80 -0.867 -12.464 6.568 1.00 0.00 C ATOM 1232 OG1 THR A 80 0.252 -11.988 5.833 1.00 0.00 O ATOM 1233 CG2 THR A 80 -2.133 -11.745 6.096 1.00 0.00 C ATOM 0 H THR A 80 -0.440 -10.144 7.496 1.00 0.00 H new ATOM 0 HA THR A 80 -1.443 -12.671 8.633 1.00 0.00 H new ATOM 0 HB THR A 80 -0.980 -13.536 6.406 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.114 -12.161 4.878 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.287 -11.939 5.034 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.991 -12.111 6.660 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.024 -10.673 6.257 1.00 0.00 H new ATOM 1241 N THR A 81 1.744 -12.024 8.279 1.00 0.00 N ATOM 1242 CA THR A 81 3.091 -12.503 8.665 1.00 0.00 C ATOM 1243 C THR A 81 3.827 -11.384 9.403 1.00 0.00 C ATOM 1244 O THR A 81 3.556 -10.224 9.188 1.00 0.00 O ATOM 1245 CB THR A 81 3.858 -12.875 7.401 1.00 0.00 C ATOM 1246 OG1 THR A 81 3.334 -12.144 6.301 1.00 0.00 O ATOM 1247 CG2 THR A 81 3.713 -14.372 7.137 1.00 0.00 C ATOM 0 H THR A 81 1.723 -11.099 7.849 1.00 0.00 H new ATOM 0 HA THR A 81 3.011 -13.373 9.316 1.00 0.00 H new ATOM 0 HB THR A 81 4.913 -12.633 7.530 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.112 -11.234 6.589 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.262 -14.637 6.233 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.114 -14.931 7.982 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.659 -14.618 7.007 1.00 0.00 H new