USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 615 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 5 THR OG1 : rot -100:sc= -0.421 USER MOD Single : A 8 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.5) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 157:sc= -2.48 (180deg=-3.75!) USER MOD Single : A 26 THR OG1 : rot 28:sc= 0.186 USER MOD Single : A 28 THR OG1 : rot 106:sc= 0.469 USER MOD Single : A 29 THR OG1 : rot -160:sc= -0.309 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 71:sc= 0.648 USER MOD Single : A 36 MET CE :methyl 164:sc= 0 (180deg=-0.537) USER MOD Single : A 38 SER OG : rot 83:sc= 0.458 USER MOD Single : A 41 GLN : amide:sc= -0.249 K(o=-0.25,f=-0.84) USER MOD Single : A 42 ASN : amide:sc= -0.0594 K(o=-0.059,f=-0.73) USER MOD Single : A 44 THR OG1 : rot -45:sc= -2.99! USER MOD Single : A 49 GLN : amide:sc= 0.37 K(o=0.37,f=-2.2!) USER MOD Single : A 51 MET CE :methyl -175:sc= -0.0119 (180deg=-0.024) USER MOD Single : A 53 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.3!) USER MOD Single : A 60 ASN : amide:sc= -2.89 K(o=-2.9,f=-3.9!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 77:sc= 0.889 USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 61 GLN :FLIP amide:sc= 0.0487 F(o=-1.3!,f=0.049) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 -0.206 -17.820 -5.225 1.00 0.00 N ATOM 62 CA THR A 5 1.074 -18.466 -5.503 1.00 0.00 C ATOM 63 C THR A 5 2.198 -17.798 -4.705 1.00 0.00 C ATOM 64 O THR A 5 1.966 -16.840 -3.968 1.00 0.00 O ATOM 65 CB THR A 5 1.393 -18.373 -6.997 1.00 0.00 C ATOM 66 OG1 THR A 5 2.696 -18.879 -7.235 1.00 0.00 O ATOM 67 CG2 THR A 5 1.315 -16.913 -7.448 1.00 0.00 C ATOM 0 HA THR A 5 1.001 -19.513 -5.208 1.00 0.00 H new ATOM 0 HB THR A 5 0.669 -18.962 -7.561 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.326 -18.133 -7.323 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.542 -16.848 -8.512 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.311 -16.530 -7.268 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.036 -16.320 -6.886 1.00 0.00 H new ATOM 75 N GLU A 6 3.419 -18.303 -4.864 1.00 0.00 N ATOM 76 CA GLU A 6 4.566 -17.737 -4.160 1.00 0.00 C ATOM 77 C GLU A 6 4.708 -16.252 -4.498 1.00 0.00 C ATOM 78 O GLU A 6 4.865 -15.412 -3.620 1.00 0.00 O ATOM 79 CB GLU A 6 5.836 -18.497 -4.563 1.00 0.00 C ATOM 80 CG GLU A 6 7.017 -18.046 -3.698 1.00 0.00 C ATOM 81 CD GLU A 6 8.276 -18.830 -4.072 1.00 0.00 C ATOM 82 OE1 GLU A 6 8.269 -19.472 -5.110 1.00 0.00 O ATOM 83 OE2 GLU A 6 9.231 -18.772 -3.314 1.00 0.00 O ATOM 0 H GLU A 6 3.638 -19.095 -5.468 1.00 0.00 H new ATOM 0 HA GLU A 6 4.416 -17.835 -3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.679 -19.569 -4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.057 -18.319 -5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.191 -16.979 -3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.784 -18.199 -2.644 1.00 0.00 H new ATOM 90 N GLU A 7 4.664 -15.934 -5.778 1.00 0.00 N ATOM 91 CA GLU A 7 4.783 -14.553 -6.204 1.00 0.00 C ATOM 92 C GLU A 7 3.888 -13.649 -5.349 1.00 0.00 C ATOM 93 O GLU A 7 4.363 -12.720 -4.703 1.00 0.00 O ATOM 94 CB GLU A 7 4.386 -14.459 -7.689 1.00 0.00 C ATOM 95 CG GLU A 7 4.005 -13.022 -8.059 1.00 0.00 C ATOM 96 CD GLU A 7 3.866 -12.873 -9.572 1.00 0.00 C ATOM 97 OE1 GLU A 7 3.807 -13.888 -10.247 1.00 0.00 O ATOM 98 OE2 GLU A 7 3.815 -11.746 -10.033 1.00 0.00 O ATOM 0 H GLU A 7 4.548 -16.607 -6.535 1.00 0.00 H new ATOM 0 HA GLU A 7 5.812 -14.217 -6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.215 -14.793 -8.314 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.547 -15.126 -7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.066 -12.753 -7.574 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.764 -12.333 -7.689 1.00 0.00 H new ATOM 105 N GLN A 8 2.586 -13.906 -5.396 1.00 0.00 N ATOM 106 CA GLN A 8 1.609 -13.091 -4.679 1.00 0.00 C ATOM 107 C GLN A 8 2.053 -12.769 -3.254 1.00 0.00 C ATOM 108 O GLN A 8 2.143 -11.598 -2.889 1.00 0.00 O ATOM 109 CB GLN A 8 0.280 -13.842 -4.645 1.00 0.00 C ATOM 110 CG GLN A 8 -0.405 -13.789 -6.012 1.00 0.00 C ATOM 111 CD GLN A 8 -0.920 -12.383 -6.299 1.00 0.00 C ATOM 112 OE1 GLN A 8 -1.551 -11.766 -5.440 1.00 0.00 O ATOM 113 NE2 GLN A 8 -0.697 -11.845 -7.466 1.00 0.00 N ATOM 0 H GLN A 8 2.179 -14.677 -5.926 1.00 0.00 H new ATOM 0 HA GLN A 8 1.508 -12.142 -5.205 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.450 -14.880 -4.358 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.372 -13.404 -3.889 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.298 -14.091 -6.789 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.233 -14.498 -6.038 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.174 -12.361 -8.174 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.046 -10.909 -7.671 1.00 0.00 H new ATOM 122 N ILE A 9 2.307 -13.792 -2.435 1.00 0.00 N ATOM 123 CA ILE A 9 2.704 -13.538 -1.065 1.00 0.00 C ATOM 124 C ILE A 9 3.977 -12.689 -1.017 1.00 0.00 C ATOM 125 O ILE A 9 4.034 -11.672 -0.324 1.00 0.00 O ATOM 126 CB ILE A 9 2.906 -14.866 -0.323 1.00 0.00 C ATOM 127 CG1 ILE A 9 3.751 -15.820 -1.176 1.00 0.00 C ATOM 128 CG2 ILE A 9 1.549 -15.519 -0.052 1.00 0.00 C ATOM 129 CD1 ILE A 9 3.911 -17.156 -0.463 1.00 0.00 C ATOM 0 H ILE A 9 2.245 -14.776 -2.695 1.00 0.00 H new ATOM 0 HA ILE A 9 1.911 -12.978 -0.569 1.00 0.00 H new ATOM 0 HB ILE A 9 3.416 -14.666 0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.276 -15.971 -2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.730 -15.380 -1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.698 -16.462 0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.941 -14.853 0.560 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.041 -15.708 -0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.513 -17.826 -1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.406 -17.000 0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.929 -17.599 -0.297 1.00 0.00 H new ATOM 141 N ALA A 10 4.993 -13.091 -1.760 1.00 0.00 N ATOM 142 CA ALA A 10 6.232 -12.344 -1.785 1.00 0.00 C ATOM 143 C ALA A 10 5.964 -10.916 -2.250 1.00 0.00 C ATOM 144 O ALA A 10 6.623 -9.972 -1.822 1.00 0.00 O ATOM 145 CB ALA A 10 7.218 -13.024 -2.731 1.00 0.00 C ATOM 0 H ALA A 10 4.983 -13.924 -2.349 1.00 0.00 H new ATOM 0 HA ALA A 10 6.658 -12.316 -0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.151 -12.461 -2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.413 -14.039 -2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.795 -13.058 -3.735 1.00 0.00 H new ATOM 151 N GLU A 11 4.987 -10.781 -3.138 1.00 0.00 N ATOM 152 CA GLU A 11 4.614 -9.478 -3.684 1.00 0.00 C ATOM 153 C GLU A 11 4.045 -8.565 -2.594 1.00 0.00 C ATOM 154 O GLU A 11 4.354 -7.374 -2.548 1.00 0.00 O ATOM 155 CB GLU A 11 3.570 -9.668 -4.797 1.00 0.00 C ATOM 156 CG GLU A 11 3.589 -8.470 -5.748 1.00 0.00 C ATOM 157 CD GLU A 11 4.800 -8.556 -6.675 1.00 0.00 C ATOM 158 OE1 GLU A 11 5.510 -9.548 -6.599 1.00 0.00 O ATOM 159 OE2 GLU A 11 5.000 -7.634 -7.444 1.00 0.00 O ATOM 0 H GLU A 11 4.436 -11.560 -3.498 1.00 0.00 H new ATOM 0 HA GLU A 11 5.509 -9.006 -4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.779 -10.584 -5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.578 -9.779 -4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.672 -8.448 -6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.624 -7.542 -5.177 1.00 0.00 H new ATOM 166 N PHE A 12 3.207 -9.126 -1.723 1.00 0.00 N ATOM 167 CA PHE A 12 2.607 -8.348 -0.652 1.00 0.00 C ATOM 168 C PHE A 12 3.678 -7.898 0.350 1.00 0.00 C ATOM 169 O PHE A 12 3.655 -6.765 0.834 1.00 0.00 O ATOM 170 CB PHE A 12 1.490 -9.191 0.023 1.00 0.00 C ATOM 171 CG PHE A 12 1.810 -9.464 1.477 1.00 0.00 C ATOM 172 CD1 PHE A 12 1.731 -8.435 2.413 1.00 0.00 C ATOM 173 CD2 PHE A 12 2.207 -10.745 1.878 1.00 0.00 C ATOM 174 CE1 PHE A 12 2.040 -8.684 3.751 1.00 0.00 C ATOM 175 CE2 PHE A 12 2.516 -10.996 3.210 1.00 0.00 C ATOM 176 CZ PHE A 12 2.432 -9.971 4.150 1.00 0.00 C ATOM 0 H PHE A 12 2.933 -10.108 -1.741 1.00 0.00 H new ATOM 0 HA PHE A 12 2.155 -7.443 -1.057 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.539 -8.663 -0.049 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.372 -10.135 -0.509 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.431 -7.445 2.103 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.273 -11.541 1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.978 -7.888 4.478 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.821 -11.986 3.516 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.669 -10.167 5.185 1.00 0.00 H new ATOM 186 N LYS A 13 4.611 -8.793 0.650 1.00 0.00 N ATOM 187 CA LYS A 13 5.674 -8.485 1.587 1.00 0.00 C ATOM 188 C LYS A 13 6.539 -7.345 1.057 1.00 0.00 C ATOM 189 O LYS A 13 6.877 -6.418 1.794 1.00 0.00 O ATOM 190 CB LYS A 13 6.532 -9.729 1.817 1.00 0.00 C ATOM 191 CG LYS A 13 7.659 -9.418 2.834 1.00 0.00 C ATOM 192 CD LYS A 13 8.987 -9.160 2.105 1.00 0.00 C ATOM 193 CE LYS A 13 9.672 -10.485 1.770 1.00 0.00 C ATOM 194 NZ LYS A 13 10.987 -10.196 1.141 1.00 0.00 N ATOM 0 H LYS A 13 4.650 -9.734 0.258 1.00 0.00 H new ATOM 0 HA LYS A 13 5.231 -8.172 2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.912 -10.545 2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.965 -10.061 0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.389 -8.546 3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.773 -10.253 3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.805 -8.595 1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.641 -8.552 2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.808 -11.079 2.674 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.050 -11.071 1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.464 -11.090 0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.842 -9.644 0.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.576 -9.652 1.803 1.00 0.00 H new ATOM 208 N GLU A 14 6.886 -7.417 -0.226 1.00 0.00 N ATOM 209 CA GLU A 14 7.703 -6.379 -0.848 1.00 0.00 C ATOM 210 C GLU A 14 7.009 -5.025 -0.743 1.00 0.00 C ATOM 211 O GLU A 14 7.566 -4.066 -0.202 1.00 0.00 O ATOM 212 CB GLU A 14 7.938 -6.724 -2.323 1.00 0.00 C ATOM 213 CG GLU A 14 8.922 -7.895 -2.436 1.00 0.00 C ATOM 214 CD GLU A 14 9.063 -8.338 -3.894 1.00 0.00 C ATOM 215 OE1 GLU A 14 8.476 -7.694 -4.749 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.757 -9.312 -4.135 1.00 0.00 O ATOM 0 H GLU A 14 6.617 -8.177 -0.851 1.00 0.00 H new ATOM 0 HA GLU A 14 8.660 -6.325 -0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.993 -6.985 -2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.332 -5.855 -2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.895 -7.599 -2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.574 -8.730 -1.828 1.00 0.00 H new ATOM 223 N ALA A 15 5.783 -4.950 -1.253 1.00 0.00 N ATOM 224 CA ALA A 15 5.023 -3.710 -1.205 1.00 0.00 C ATOM 225 C ALA A 15 4.960 -3.189 0.229 1.00 0.00 C ATOM 226 O ALA A 15 5.184 -2.002 0.486 1.00 0.00 O ATOM 227 CB ALA A 15 3.612 -3.956 -1.756 1.00 0.00 C ATOM 0 H ALA A 15 5.299 -5.728 -1.701 1.00 0.00 H new ATOM 0 HA ALA A 15 5.515 -2.956 -1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.041 -3.028 -1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.679 -4.302 -2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.112 -4.713 -1.151 1.00 0.00 H new ATOM 233 N PHE A 16 4.672 -4.085 1.161 1.00 0.00 N ATOM 234 CA PHE A 16 4.596 -3.700 2.559 1.00 0.00 C ATOM 235 C PHE A 16 5.902 -3.038 3.014 1.00 0.00 C ATOM 236 O PHE A 16 5.890 -1.952 3.595 1.00 0.00 O ATOM 237 CB PHE A 16 4.290 -4.955 3.416 1.00 0.00 C ATOM 238 CG PHE A 16 4.988 -4.875 4.759 1.00 0.00 C ATOM 239 CD1 PHE A 16 4.430 -4.142 5.812 1.00 0.00 C ATOM 240 CD2 PHE A 16 6.223 -5.513 4.925 1.00 0.00 C ATOM 241 CE1 PHE A 16 5.112 -4.048 7.031 1.00 0.00 C ATOM 242 CE2 PHE A 16 6.898 -5.425 6.143 1.00 0.00 C ATOM 243 CZ PHE A 16 6.347 -4.692 7.191 1.00 0.00 C ATOM 0 H PHE A 16 4.489 -5.071 0.977 1.00 0.00 H new ATOM 0 HA PHE A 16 3.795 -2.972 2.687 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.214 -5.045 3.565 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.614 -5.850 2.886 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.477 -3.651 5.685 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.654 -6.074 4.109 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.688 -3.481 7.846 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.847 -5.925 6.273 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.873 -4.619 8.131 1.00 0.00 H new ATOM 253 N SER A 17 7.014 -3.709 2.762 1.00 0.00 N ATOM 254 CA SER A 17 8.318 -3.197 3.166 1.00 0.00 C ATOM 255 C SER A 17 8.541 -1.784 2.643 1.00 0.00 C ATOM 256 O SER A 17 9.171 -0.960 3.309 1.00 0.00 O ATOM 257 CB SER A 17 9.427 -4.116 2.642 1.00 0.00 C ATOM 258 OG SER A 17 10.687 -3.645 3.104 1.00 0.00 O ATOM 0 H SER A 17 7.043 -4.608 2.281 1.00 0.00 H new ATOM 0 HA SER A 17 8.346 -3.171 4.255 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.260 -5.137 2.984 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.412 -4.138 1.552 1.00 0.00 H new ATOM 0 HG SER A 17 11.398 -4.232 2.771 1.00 0.00 H new ATOM 264 N LEU A 18 8.030 -1.504 1.452 1.00 0.00 N ATOM 265 CA LEU A 18 8.197 -0.174 0.859 1.00 0.00 C ATOM 266 C LEU A 18 7.446 0.888 1.658 1.00 0.00 C ATOM 267 O LEU A 18 7.960 1.984 1.882 1.00 0.00 O ATOM 268 CB LEU A 18 7.685 -0.172 -0.584 1.00 0.00 C ATOM 269 CG LEU A 18 8.598 -1.044 -1.463 1.00 0.00 C ATOM 270 CD1 LEU A 18 7.973 -1.199 -2.855 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.001 -0.404 -1.592 1.00 0.00 C ATOM 0 H LEU A 18 7.503 -2.165 0.881 1.00 0.00 H new ATOM 0 HA LEU A 18 9.261 0.064 0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.663 -0.551 -0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.660 0.847 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 18 8.703 -2.023 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.620 -1.817 -3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.996 -1.673 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.858 -0.217 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.633 -1.035 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.910 0.583 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.449 -0.308 -0.603 1.00 0.00 H new ATOM 283 N PHE A 19 6.223 0.563 2.066 1.00 0.00 N ATOM 284 CA PHE A 19 5.408 1.512 2.825 1.00 0.00 C ATOM 285 C PHE A 19 5.905 1.660 4.262 1.00 0.00 C ATOM 286 O PHE A 19 6.011 2.765 4.766 1.00 0.00 O ATOM 287 CB PHE A 19 3.956 1.059 2.837 1.00 0.00 C ATOM 288 CG PHE A 19 3.431 1.001 1.423 1.00 0.00 C ATOM 289 CD1 PHE A 19 3.272 2.176 0.680 1.00 0.00 C ATOM 290 CD2 PHE A 19 3.108 -0.232 0.856 1.00 0.00 C ATOM 291 CE1 PHE A 19 2.789 2.110 -0.633 1.00 0.00 C ATOM 292 CE2 PHE A 19 2.630 -0.300 -0.445 1.00 0.00 C ATOM 293 CZ PHE A 19 2.466 0.869 -1.197 1.00 0.00 C ATOM 0 H PHE A 19 5.777 -0.337 1.888 1.00 0.00 H new ATOM 0 HA PHE A 19 5.490 2.482 2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.874 0.079 3.306 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.355 1.748 3.431 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.521 3.131 1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.230 -1.137 1.432 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.666 3.015 -1.210 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.384 -1.258 -0.879 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.092 0.814 -2.209 1.00 0.00 H new ATOM 303 N ASP A 20 6.188 0.548 4.927 1.00 0.00 N ATOM 304 CA ASP A 20 6.661 0.607 6.311 1.00 0.00 C ATOM 305 C ASP A 20 8.031 1.286 6.384 1.00 0.00 C ATOM 306 O ASP A 20 9.044 0.629 6.621 1.00 0.00 O ATOM 307 CB ASP A 20 6.762 -0.810 6.883 1.00 0.00 C ATOM 308 CG ASP A 20 6.937 -0.753 8.395 1.00 0.00 C ATOM 309 OD1 ASP A 20 7.419 0.253 8.878 1.00 0.00 O ATOM 310 OD2 ASP A 20 6.587 -1.722 9.049 1.00 0.00 O ATOM 0 H ASP A 20 6.102 -0.393 4.542 1.00 0.00 H new ATOM 0 HA ASP A 20 5.949 1.190 6.896 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.864 -1.376 6.634 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.604 -1.334 6.431 1.00 0.00 H new ATOM 315 N LYS A 21 8.057 2.601 6.163 1.00 0.00 N ATOM 316 CA LYS A 21 9.321 3.336 6.194 1.00 0.00 C ATOM 317 C LYS A 21 9.990 3.183 7.552 1.00 0.00 C ATOM 318 O LYS A 21 11.171 2.843 7.632 1.00 0.00 O ATOM 319 CB LYS A 21 9.087 4.831 5.915 1.00 0.00 C ATOM 320 CG LYS A 21 8.204 5.035 4.676 1.00 0.00 C ATOM 321 CD LYS A 21 8.827 4.382 3.434 1.00 0.00 C ATOM 322 CE LYS A 21 10.228 4.966 3.167 1.00 0.00 C ATOM 323 NZ LYS A 21 11.260 4.147 3.864 1.00 0.00 N ATOM 0 H LYS A 21 7.234 3.170 5.964 1.00 0.00 H new ATOM 0 HA LYS A 21 9.968 2.923 5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.615 5.295 6.781 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.045 5.330 5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.217 4.610 4.856 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.064 6.101 4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.897 3.304 3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.186 4.547 2.568 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.427 4.982 2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.274 5.998 3.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.180 4.277 3.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.330 4.448 4.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.991 3.143 3.825 1.00 0.00 H new ATOM 337 N ASP A 22 9.241 3.430 8.616 1.00 0.00 N ATOM 338 CA ASP A 22 9.793 3.313 9.958 1.00 0.00 C ATOM 339 C ASP A 22 10.225 1.873 10.219 1.00 0.00 C ATOM 340 O ASP A 22 11.025 1.609 11.115 1.00 0.00 O ATOM 341 CB ASP A 22 8.736 3.735 10.979 1.00 0.00 C ATOM 342 CG ASP A 22 7.559 2.763 10.939 1.00 0.00 C ATOM 343 OD1 ASP A 22 7.178 2.364 9.852 1.00 0.00 O ATOM 344 OD2 ASP A 22 7.045 2.442 11.994 1.00 0.00 O ATOM 0 H ASP A 22 8.261 3.710 8.579 1.00 0.00 H new ATOM 0 HA ASP A 22 10.664 3.962 10.050 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.170 3.753 11.979 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.392 4.746 10.762 1.00 0.00 H new ATOM 349 N GLY A 23 9.703 0.952 9.412 1.00 0.00 N ATOM 350 CA GLY A 23 10.055 -0.457 9.539 1.00 0.00 C ATOM 351 C GLY A 23 9.730 -1.007 10.925 1.00 0.00 C ATOM 352 O GLY A 23 10.512 -1.773 11.491 1.00 0.00 O ATOM 0 H GLY A 23 9.038 1.157 8.667 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.518 -1.034 8.786 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.119 -0.584 9.339 1.00 0.00 H new ATOM 356 N ASP A 24 8.577 -0.625 11.474 1.00 0.00 N ATOM 357 CA ASP A 24 8.179 -1.107 12.800 1.00 0.00 C ATOM 358 C ASP A 24 7.312 -2.360 12.693 1.00 0.00 C ATOM 359 O ASP A 24 6.955 -2.965 13.704 1.00 0.00 O ATOM 360 CB ASP A 24 7.426 -0.010 13.559 1.00 0.00 C ATOM 361 CG ASP A 24 6.042 0.206 12.963 1.00 0.00 C ATOM 362 OD1 ASP A 24 5.754 -0.393 11.942 1.00 0.00 O ATOM 363 OD2 ASP A 24 5.285 0.969 13.537 1.00 0.00 O ATOM 0 H ASP A 24 7.910 0.007 11.031 1.00 0.00 H new ATOM 0 HA ASP A 24 9.084 -1.365 13.350 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.336 -0.285 14.610 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.993 0.920 13.520 1.00 0.00 H new ATOM 368 N GLY A 25 6.978 -2.752 11.460 1.00 0.00 N ATOM 369 CA GLY A 25 6.153 -3.942 11.227 1.00 0.00 C ATOM 370 C GLY A 25 4.733 -3.559 10.820 1.00 0.00 C ATOM 371 O GLY A 25 3.874 -4.423 10.643 1.00 0.00 O ATOM 0 H GLY A 25 7.265 -2.265 10.611 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.605 -4.554 10.446 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.123 -4.550 12.131 1.00 0.00 H new ATOM 375 N THR A 26 4.491 -2.259 10.678 1.00 0.00 N ATOM 376 CA THR A 26 3.172 -1.762 10.294 1.00 0.00 C ATOM 377 C THR A 26 3.324 -0.555 9.370 1.00 0.00 C ATOM 378 O THR A 26 4.402 0.029 9.275 1.00 0.00 O ATOM 379 CB THR A 26 2.387 -1.358 11.553 1.00 0.00 C ATOM 380 OG1 THR A 26 3.280 -0.770 12.490 1.00 0.00 O ATOM 381 CG2 THR A 26 1.723 -2.592 12.174 1.00 0.00 C ATOM 0 H THR A 26 5.190 -1.530 10.823 1.00 0.00 H new ATOM 0 HA THR A 26 2.630 -2.548 9.768 1.00 0.00 H new ATOM 0 HB THR A 26 1.613 -0.640 11.284 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.026 -0.351 12.012 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.169 -2.297 13.065 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.039 -3.039 11.453 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.488 -3.319 12.446 1.00 0.00 H new ATOM 389 N ILE A 27 2.232 -0.177 8.711 1.00 0.00 N ATOM 390 CA ILE A 27 2.236 0.981 7.821 1.00 0.00 C ATOM 391 C ILE A 27 1.407 2.089 8.449 1.00 0.00 C ATOM 392 O ILE A 27 0.283 1.858 8.886 1.00 0.00 O ATOM 393 CB ILE A 27 1.655 0.601 6.462 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.563 -0.431 5.793 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.561 1.849 5.586 1.00 0.00 C ATOM 396 CD1 ILE A 27 1.878 -0.977 4.532 1.00 0.00 C ATOM 0 H ILE A 27 1.333 -0.655 8.776 1.00 0.00 H new ATOM 0 HA ILE A 27 3.260 1.326 7.675 1.00 0.00 H new ATOM 0 HB ILE A 27 0.660 0.175 6.593 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.518 0.025 5.532 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.777 -1.246 6.485 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.146 1.581 4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.914 2.583 6.067 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.555 2.275 5.451 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.526 -1.713 4.056 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.934 -1.448 4.806 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.687 -0.158 3.838 1.00 0.00 H new ATOM 408 N THR A 28 1.976 3.292 8.505 1.00 0.00 N ATOM 409 CA THR A 28 1.288 4.441 9.104 1.00 0.00 C ATOM 410 C THR A 28 0.860 5.446 8.037 1.00 0.00 C ATOM 411 O THR A 28 1.352 5.419 6.909 1.00 0.00 O ATOM 412 CB THR A 28 2.215 5.126 10.116 1.00 0.00 C ATOM 413 OG1 THR A 28 2.647 4.173 11.082 1.00 0.00 O ATOM 414 CG2 THR A 28 1.466 6.261 10.817 1.00 0.00 C ATOM 0 H THR A 28 2.908 3.499 8.145 1.00 0.00 H new ATOM 0 HA THR A 28 0.393 4.078 9.609 1.00 0.00 H new ATOM 0 HB THR A 28 3.080 5.535 9.594 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.584 3.939 10.915 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.128 6.745 11.535 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.137 6.991 10.077 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.598 5.857 11.339 1.00 0.00 H new ATOM 422 N THR A 29 -0.068 6.326 8.408 1.00 0.00 N ATOM 423 CA THR A 29 -0.575 7.336 7.486 1.00 0.00 C ATOM 424 C THR A 29 0.560 8.223 6.996 1.00 0.00 C ATOM 425 O THR A 29 0.641 8.548 5.810 1.00 0.00 O ATOM 426 CB THR A 29 -1.633 8.196 8.192 1.00 0.00 C ATOM 427 OG1 THR A 29 -0.981 9.143 9.028 1.00 0.00 O ATOM 428 CG2 THR A 29 -2.546 7.306 9.049 1.00 0.00 C ATOM 0 H THR A 29 -0.483 6.359 9.339 1.00 0.00 H new ATOM 0 HA THR A 29 -1.025 6.835 6.629 1.00 0.00 H new ATOM 0 HB THR A 29 -2.236 8.712 7.445 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.610 9.470 9.704 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.294 7.924 9.546 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.045 6.576 8.412 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.948 6.786 9.798 1.00 0.00 H new ATOM 436 N LYS A 30 1.429 8.610 7.919 1.00 0.00 N ATOM 437 CA LYS A 30 2.562 9.461 7.589 1.00 0.00 C ATOM 438 C LYS A 30 3.542 8.720 6.681 1.00 0.00 C ATOM 439 O LYS A 30 4.066 9.292 5.725 1.00 0.00 O ATOM 440 CB LYS A 30 3.261 9.911 8.874 1.00 0.00 C ATOM 441 CG LYS A 30 2.350 10.880 9.639 1.00 0.00 C ATOM 442 CD LYS A 30 3.054 11.345 10.916 1.00 0.00 C ATOM 443 CE LYS A 30 2.161 12.333 11.671 1.00 0.00 C ATOM 444 NZ LYS A 30 2.862 12.792 12.903 1.00 0.00 N ATOM 0 H LYS A 30 1.371 8.348 8.903 1.00 0.00 H new ATOM 0 HA LYS A 30 2.200 10.339 7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.494 9.047 9.496 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.207 10.396 8.635 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.107 11.738 9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.409 10.390 9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.280 10.488 11.550 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.004 11.817 10.667 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.924 13.186 11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.215 11.859 11.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.257 13.463 13.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.066 11.974 13.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.753 13.260 12.641 1.00 0.00 H new ATOM 458 N GLU A 31 3.773 7.441 6.980 1.00 0.00 N ATOM 459 CA GLU A 31 4.679 6.627 6.173 1.00 0.00 C ATOM 460 C GLU A 31 4.194 6.600 4.726 1.00 0.00 C ATOM 461 O GLU A 31 4.926 6.958 3.802 1.00 0.00 O ATOM 462 CB GLU A 31 4.728 5.200 6.738 1.00 0.00 C ATOM 463 CG GLU A 31 5.487 5.200 8.066 1.00 0.00 C ATOM 464 CD GLU A 31 5.255 3.888 8.810 1.00 0.00 C ATOM 465 OE1 GLU A 31 4.916 2.911 8.165 1.00 0.00 O ATOM 466 OE2 GLU A 31 5.398 3.887 10.019 1.00 0.00 O ATOM 0 H GLU A 31 3.349 6.951 7.768 1.00 0.00 H new ATOM 0 HA GLU A 31 5.680 7.058 6.204 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.717 4.822 6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.217 4.533 6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.553 5.339 7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.157 6.038 8.681 1.00 0.00 H new ATOM 473 N LEU A 32 2.942 6.194 4.542 1.00 0.00 N ATOM 474 CA LEU A 32 2.355 6.145 3.205 1.00 0.00 C ATOM 475 C LEU A 32 2.360 7.527 2.567 1.00 0.00 C ATOM 476 O LEU A 32 2.757 7.683 1.411 1.00 0.00 O ATOM 477 CB LEU A 32 0.918 5.628 3.313 1.00 0.00 C ATOM 478 CG LEU A 32 0.166 5.732 1.979 1.00 0.00 C ATOM 479 CD1 LEU A 32 0.845 4.833 0.946 1.00 0.00 C ATOM 480 CD2 LEU A 32 -1.281 5.273 2.181 1.00 0.00 C ATOM 0 H LEU A 32 2.319 5.897 5.292 1.00 0.00 H new ATOM 0 HA LEU A 32 2.945 5.477 2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.931 4.589 3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.385 6.197 4.075 1.00 0.00 H new ATOM 0 HG LEU A 32 0.178 6.764 1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.314 4.904 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.878 5.153 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.828 3.801 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.821 5.345 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.290 4.239 2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.764 5.908 2.924 1.00 0.00 H new ATOM 492 N GLY A 33 1.921 8.528 3.320 1.00 0.00 N ATOM 493 CA GLY A 33 1.882 9.891 2.803 1.00 0.00 C ATOM 494 C GLY A 33 3.218 10.255 2.182 1.00 0.00 C ATOM 495 O GLY A 33 3.270 10.854 1.107 1.00 0.00 O ATOM 0 H GLY A 33 1.591 8.425 4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.090 9.983 2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.646 10.586 3.608 1.00 0.00 H new ATOM 499 N THR A 34 4.297 9.889 2.861 1.00 0.00 N ATOM 500 CA THR A 34 5.625 10.184 2.353 1.00 0.00 C ATOM 501 C THR A 34 5.812 9.516 1.000 1.00 0.00 C ATOM 502 O THR A 34 6.251 10.155 0.044 1.00 0.00 O ATOM 503 CB THR A 34 6.688 9.678 3.335 1.00 0.00 C ATOM 504 OG1 THR A 34 6.544 10.359 4.573 1.00 0.00 O ATOM 505 CG2 THR A 34 8.093 9.930 2.773 1.00 0.00 C ATOM 0 H THR A 34 4.278 9.394 3.753 1.00 0.00 H new ATOM 0 HA THR A 34 5.734 11.263 2.242 1.00 0.00 H new ATOM 0 HB THR A 34 6.555 8.606 3.484 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.728 10.054 5.021 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.838 9.566 3.480 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.205 9.404 1.825 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.235 10.999 2.614 1.00 0.00 H new ATOM 513 N VAL A 35 5.463 8.228 0.906 1.00 0.00 N ATOM 514 CA VAL A 35 5.588 7.496 -0.347 1.00 0.00 C ATOM 515 C VAL A 35 4.707 8.120 -1.426 1.00 0.00 C ATOM 516 O VAL A 35 5.119 8.257 -2.574 1.00 0.00 O ATOM 517 CB VAL A 35 5.167 6.036 -0.129 1.00 0.00 C ATOM 518 CG1 VAL A 35 5.331 5.252 -1.438 1.00 0.00 C ATOM 519 CG2 VAL A 35 6.035 5.401 0.961 1.00 0.00 C ATOM 0 H VAL A 35 5.094 7.678 1.682 1.00 0.00 H new ATOM 0 HA VAL A 35 6.627 7.540 -0.674 1.00 0.00 H new ATOM 0 HB VAL A 35 4.123 6.008 0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.032 4.216 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.704 5.698 -2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.374 5.285 -1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.731 4.365 1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.081 5.432 0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.911 5.954 1.892 1.00 0.00 H new ATOM 529 N MET A 36 3.498 8.509 -1.046 1.00 0.00 N ATOM 530 CA MET A 36 2.580 9.127 -2.002 1.00 0.00 C ATOM 531 C MET A 36 3.098 10.481 -2.482 1.00 0.00 C ATOM 532 O MET A 36 3.012 10.807 -3.666 1.00 0.00 O ATOM 533 CB MET A 36 1.196 9.290 -1.366 1.00 0.00 C ATOM 534 CG MET A 36 0.631 7.909 -1.030 1.00 0.00 C ATOM 535 SD MET A 36 0.321 6.982 -2.556 1.00 0.00 S ATOM 536 CE MET A 36 -1.411 7.457 -2.770 1.00 0.00 C ATOM 0 H MET A 36 3.131 8.412 -0.099 1.00 0.00 H new ATOM 0 HA MET A 36 2.507 8.471 -2.870 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.267 9.897 -0.463 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.528 9.813 -2.050 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.332 7.363 -0.399 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.294 8.013 -0.463 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.726 7.234 -3.789 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.031 6.899 -2.068 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.521 8.525 -2.582 1.00 0.00 H new ATOM 546 N ARG A 37 3.636 11.267 -1.562 1.00 0.00 N ATOM 547 CA ARG A 37 4.157 12.580 -1.922 1.00 0.00 C ATOM 548 C ARG A 37 5.484 12.458 -2.668 1.00 0.00 C ATOM 549 O ARG A 37 5.662 13.045 -3.737 1.00 0.00 O ATOM 550 CB ARG A 37 4.335 13.435 -0.664 1.00 0.00 C ATOM 551 CG ARG A 37 4.744 14.883 -1.045 1.00 0.00 C ATOM 552 CD ARG A 37 6.249 15.072 -0.890 1.00 0.00 C ATOM 553 NE ARG A 37 6.589 16.461 -1.139 1.00 0.00 N ATOM 554 CZ ARG A 37 7.845 16.879 -1.093 1.00 0.00 C ATOM 555 NH1 ARG A 37 8.810 16.038 -0.817 1.00 0.00 N ATOM 556 NH2 ARG A 37 8.116 18.133 -1.322 1.00 0.00 N ATOM 0 H ARG A 37 3.724 11.025 -0.575 1.00 0.00 H new ATOM 0 HA ARG A 37 3.439 13.063 -2.585 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.406 13.451 -0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.096 12.993 -0.021 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.450 15.091 -2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.215 15.595 -0.411 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.561 14.784 0.114 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.782 14.425 -1.587 1.00 0.00 H new ATOM 0 HE ARG A 37 5.847 17.127 -1.353 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.596 15.057 -0.637 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.776 16.364 -0.783 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.363 18.787 -1.535 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.081 18.461 -1.288 1.00 0.00 H new ATOM 570 N SER A 38 6.413 11.699 -2.095 1.00 0.00 N ATOM 571 CA SER A 38 7.726 11.519 -2.706 1.00 0.00 C ATOM 572 C SER A 38 7.582 11.090 -4.159 1.00 0.00 C ATOM 573 O SER A 38 8.498 11.274 -4.961 1.00 0.00 O ATOM 574 CB SER A 38 8.517 10.454 -1.941 1.00 0.00 C ATOM 575 OG SER A 38 8.895 10.970 -0.672 1.00 0.00 O ATOM 0 H SER A 38 6.283 11.201 -1.214 1.00 0.00 H new ATOM 0 HA SER A 38 8.258 12.470 -2.665 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.912 9.556 -1.816 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.402 10.166 -2.507 1.00 0.00 H new ATOM 0 HG SER A 38 8.151 10.867 -0.042 1.00 0.00 H new ATOM 581 N LEU A 39 6.426 10.521 -4.500 1.00 0.00 N ATOM 582 CA LEU A 39 6.174 10.072 -5.868 1.00 0.00 C ATOM 583 C LEU A 39 5.529 11.181 -6.695 1.00 0.00 C ATOM 584 O LEU A 39 5.534 11.128 -7.925 1.00 0.00 O ATOM 585 CB LEU A 39 5.262 8.849 -5.837 1.00 0.00 C ATOM 586 CG LEU A 39 6.022 7.657 -5.223 1.00 0.00 C ATOM 587 CD1 LEU A 39 5.028 6.554 -4.836 1.00 0.00 C ATOM 588 CD2 LEU A 39 7.047 7.088 -6.229 1.00 0.00 C ATOM 0 H LEU A 39 5.654 10.361 -3.852 1.00 0.00 H new ATOM 0 HA LEU A 39 7.125 9.812 -6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.367 9.064 -5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.932 8.603 -6.846 1.00 0.00 H new ATOM 0 HG LEU A 39 6.552 8.006 -4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.569 5.713 -4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.318 6.944 -4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.490 6.221 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.573 6.247 -5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.528 6.751 -7.126 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.765 7.864 -6.495 1.00 0.00 H new ATOM 600 N GLY A 40 4.989 12.195 -6.016 1.00 0.00 N ATOM 601 CA GLY A 40 4.356 13.328 -6.703 1.00 0.00 C ATOM 602 C GLY A 40 2.833 13.200 -6.745 1.00 0.00 C ATOM 603 O GLY A 40 2.175 13.840 -7.565 1.00 0.00 O ATOM 0 H GLY A 40 4.976 12.257 -4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.627 14.255 -6.197 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.741 13.395 -7.720 1.00 0.00 H new ATOM 607 N GLN A 41 2.271 12.373 -5.865 1.00 0.00 N ATOM 608 CA GLN A 41 0.821 12.182 -5.829 1.00 0.00 C ATOM 609 C GLN A 41 0.133 13.384 -5.177 1.00 0.00 C ATOM 610 O GLN A 41 0.714 14.063 -4.330 1.00 0.00 O ATOM 611 CB GLN A 41 0.483 10.902 -5.058 1.00 0.00 C ATOM 612 CG GLN A 41 -1.001 10.558 -5.224 1.00 0.00 C ATOM 613 CD GLN A 41 -1.305 10.172 -6.671 1.00 0.00 C ATOM 614 OE1 GLN A 41 -0.515 9.473 -7.306 1.00 0.00 O ATOM 615 NE2 GLN A 41 -2.414 10.585 -7.229 1.00 0.00 N ATOM 0 H GLN A 41 2.790 11.830 -5.175 1.00 0.00 H new ATOM 0 HA GLN A 41 0.458 12.091 -6.853 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.097 10.078 -5.421 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.717 11.033 -4.002 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.266 9.736 -4.559 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.613 11.412 -4.934 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.066 11.164 -6.700 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.626 10.328 -8.193 1.00 0.00 H new ATOM 624 N ASN A 42 -1.102 13.644 -5.600 1.00 0.00 N ATOM 625 CA ASN A 42 -1.872 14.773 -5.085 1.00 0.00 C ATOM 626 C ASN A 42 -1.635 14.980 -3.578 1.00 0.00 C ATOM 627 O ASN A 42 -1.451 14.012 -2.842 1.00 0.00 O ATOM 628 CB ASN A 42 -3.361 14.535 -5.334 1.00 0.00 C ATOM 629 CG ASN A 42 -3.638 14.523 -6.833 1.00 0.00 C ATOM 630 OD1 ASN A 42 -3.094 15.345 -7.570 1.00 0.00 O ATOM 631 ND2 ASN A 42 -4.454 13.633 -7.332 1.00 0.00 N ATOM 0 H ASN A 42 -1.592 13.086 -6.300 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.541 15.670 -5.608 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.666 13.587 -4.891 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.949 15.316 -4.852 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.641 13.618 -8.335 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.904 12.953 -6.719 1.00 0.00 H new ATOM 638 N PRO A 43 -1.649 16.211 -3.108 1.00 0.00 N ATOM 639 CA PRO A 43 -1.436 16.521 -1.659 1.00 0.00 C ATOM 640 C PRO A 43 -2.633 16.090 -0.821 1.00 0.00 C ATOM 641 O PRO A 43 -3.433 15.275 -1.269 1.00 0.00 O ATOM 642 CB PRO A 43 -1.253 18.050 -1.634 1.00 0.00 C ATOM 643 CG PRO A 43 -1.971 18.549 -2.850 1.00 0.00 C ATOM 644 CD PRO A 43 -1.868 17.436 -3.897 1.00 0.00 C ATOM 0 HA PRO A 43 -0.583 15.991 -1.236 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.671 18.482 -0.725 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.198 18.321 -1.660 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.013 18.773 -2.622 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.520 19.471 -3.217 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.777 17.367 -4.494 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.045 17.616 -4.589 1.00 0.00 H new ATOM 652 N THR A 44 -2.732 16.641 0.393 1.00 0.00 N ATOM 653 CA THR A 44 -3.830 16.325 1.307 1.00 0.00 C ATOM 654 C THR A 44 -3.589 14.997 2.021 1.00 0.00 C ATOM 655 O THR A 44 -3.751 13.925 1.438 1.00 0.00 O ATOM 656 CB THR A 44 -5.164 16.285 0.546 1.00 0.00 C ATOM 657 OG1 THR A 44 -5.316 15.012 -0.063 1.00 0.00 O ATOM 658 CG2 THR A 44 -5.206 17.398 -0.534 1.00 0.00 C ATOM 0 H THR A 44 -2.060 17.312 0.765 1.00 0.00 H new ATOM 0 HA THR A 44 -3.876 17.111 2.061 1.00 0.00 H new ATOM 0 HB THR A 44 -5.981 16.456 1.247 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.474 14.752 -0.492 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.158 17.355 -1.064 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.100 18.372 -0.057 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.390 17.249 -1.241 1.00 0.00 H new ATOM 666 N GLU A 45 -3.219 15.088 3.299 1.00 0.00 N ATOM 667 CA GLU A 45 -2.976 13.905 4.113 1.00 0.00 C ATOM 668 C GLU A 45 -4.286 13.388 4.695 1.00 0.00 C ATOM 669 O GLU A 45 -4.592 12.201 4.584 1.00 0.00 O ATOM 670 CB GLU A 45 -1.985 14.233 5.230 1.00 0.00 C ATOM 671 CG GLU A 45 -1.736 12.985 6.076 1.00 0.00 C ATOM 672 CD GLU A 45 -0.647 13.262 7.107 1.00 0.00 C ATOM 673 OE1 GLU A 45 0.072 14.233 6.934 1.00 0.00 O ATOM 674 OE2 GLU A 45 -0.543 12.496 8.051 1.00 0.00 O ATOM 0 H GLU A 45 -3.082 15.972 3.790 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.547 13.125 3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.047 14.590 4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.378 15.036 5.854 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.656 12.687 6.578 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.439 12.155 5.435 1.00 0.00 H new ATOM 681 N ALA A 46 -5.041 14.288 5.339 1.00 0.00 N ATOM 682 CA ALA A 46 -6.312 13.916 5.969 1.00 0.00 C ATOM 683 C ALA A 46 -7.027 12.887 5.096 1.00 0.00 C ATOM 684 O ALA A 46 -7.720 11.991 5.590 1.00 0.00 O ATOM 685 CB ALA A 46 -7.181 15.165 6.111 1.00 0.00 C ATOM 0 H ALA A 46 -4.795 15.273 5.437 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.128 13.486 6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.129 14.898 6.579 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.665 15.899 6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.370 15.591 5.126 1.00 0.00 H new ATOM 691 N GLU A 47 -6.805 13.000 3.791 1.00 0.00 N ATOM 692 CA GLU A 47 -7.377 12.057 2.839 1.00 0.00 C ATOM 693 C GLU A 47 -6.883 10.641 3.151 1.00 0.00 C ATOM 694 O GLU A 47 -7.676 9.726 3.352 1.00 0.00 O ATOM 695 CB GLU A 47 -6.967 12.462 1.411 1.00 0.00 C ATOM 696 CG GLU A 47 -7.896 13.570 0.886 1.00 0.00 C ATOM 697 CD GLU A 47 -7.586 13.885 -0.574 1.00 0.00 C ATOM 698 OE1 GLU A 47 -6.748 13.207 -1.144 1.00 0.00 O ATOM 699 OE2 GLU A 47 -8.194 14.802 -1.102 1.00 0.00 O ATOM 0 H GLU A 47 -6.235 13.733 3.370 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.464 12.073 2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.934 12.811 1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.014 11.595 0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.935 13.257 0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.776 14.469 1.491 1.00 0.00 H new ATOM 706 N LEU A 48 -5.564 10.475 3.198 1.00 0.00 N ATOM 707 CA LEU A 48 -4.979 9.167 3.494 1.00 0.00 C ATOM 708 C LEU A 48 -5.447 8.695 4.871 1.00 0.00 C ATOM 709 O LEU A 48 -5.944 7.578 5.021 1.00 0.00 O ATOM 710 CB LEU A 48 -3.445 9.287 3.476 1.00 0.00 C ATOM 711 CG LEU A 48 -2.907 9.130 2.046 1.00 0.00 C ATOM 712 CD1 LEU A 48 -3.666 10.071 1.099 1.00 0.00 C ATOM 713 CD2 LEU A 48 -1.418 9.490 2.022 1.00 0.00 C ATOM 0 H LEU A 48 -4.885 11.219 3.037 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.297 8.443 2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.146 10.255 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.008 8.525 4.121 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.045 8.099 1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.281 9.956 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.727 9.824 1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.529 11.102 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.033 9.379 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.288 10.522 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.872 8.825 2.692 1.00 0.00 H new ATOM 725 N GLN A 49 -5.293 9.557 5.868 1.00 0.00 N ATOM 726 CA GLN A 49 -5.705 9.228 7.227 1.00 0.00 C ATOM 727 C GLN A 49 -7.146 8.736 7.244 1.00 0.00 C ATOM 728 O GLN A 49 -7.550 7.985 8.132 1.00 0.00 O ATOM 729 CB GLN A 49 -5.590 10.469 8.111 1.00 0.00 C ATOM 730 CG GLN A 49 -4.114 10.811 8.342 1.00 0.00 C ATOM 731 CD GLN A 49 -3.984 12.198 8.968 1.00 0.00 C ATOM 732 OE1 GLN A 49 -4.988 12.865 9.213 1.00 0.00 O ATOM 733 NE2 GLN A 49 -2.796 12.669 9.249 1.00 0.00 N ATOM 0 H GLN A 49 -4.887 10.487 5.762 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.055 8.439 7.605 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.098 11.310 7.639 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.085 10.293 9.066 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.659 10.066 8.994 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.574 10.779 7.396 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.966 12.113 9.045 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.700 13.592 9.673 1.00 0.00 H new ATOM 742 N ASP A 50 -7.917 9.164 6.250 1.00 0.00 N ATOM 743 CA ASP A 50 -9.314 8.761 6.147 1.00 0.00 C ATOM 744 C ASP A 50 -9.443 7.364 5.532 1.00 0.00 C ATOM 745 O ASP A 50 -10.231 6.541 5.998 1.00 0.00 O ATOM 746 CB ASP A 50 -10.075 9.782 5.304 1.00 0.00 C ATOM 747 CG ASP A 50 -11.584 9.611 5.492 1.00 0.00 C ATOM 748 OD1 ASP A 50 -11.975 8.937 6.431 1.00 0.00 O ATOM 749 OD2 ASP A 50 -12.323 10.158 4.692 1.00 0.00 O ATOM 0 H ASP A 50 -7.600 9.787 5.507 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.741 8.723 7.149 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.779 10.791 5.589 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.817 9.659 4.252 1.00 0.00 H new ATOM 754 N MET A 51 -8.675 7.102 4.475 1.00 0.00 N ATOM 755 CA MET A 51 -8.720 5.801 3.810 1.00 0.00 C ATOM 756 C MET A 51 -8.294 4.693 4.764 1.00 0.00 C ATOM 757 O MET A 51 -8.945 3.654 4.854 1.00 0.00 O ATOM 758 CB MET A 51 -7.805 5.810 2.584 1.00 0.00 C ATOM 759 CG MET A 51 -8.286 6.860 1.581 1.00 0.00 C ATOM 760 SD MET A 51 -9.903 6.359 0.917 1.00 0.00 S ATOM 761 CE MET A 51 -10.911 7.619 1.734 1.00 0.00 C ATOM 0 H MET A 51 -8.020 7.767 4.064 1.00 0.00 H new ATOM 0 HA MET A 51 -9.746 5.611 3.494 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.780 6.026 2.886 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.799 4.825 2.117 1.00 0.00 H new ATOM 0 HG2 MET A 51 -8.364 7.833 2.065 1.00 0.00 H new ATOM 0 HG3 MET A 51 -7.564 6.964 0.771 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.965 7.433 1.526 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.741 7.580 2.810 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.636 8.605 1.359 1.00 0.00 H new ATOM 771 N ILE A 52 -7.200 4.928 5.485 1.00 0.00 N ATOM 772 CA ILE A 52 -6.710 3.948 6.446 1.00 0.00 C ATOM 773 C ILE A 52 -7.708 3.782 7.592 1.00 0.00 C ATOM 774 O ILE A 52 -7.985 2.667 8.033 1.00 0.00 O ATOM 775 CB ILE A 52 -5.333 4.360 6.980 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.301 4.211 5.857 1.00 0.00 C ATOM 777 CG2 ILE A 52 -4.943 3.471 8.164 1.00 0.00 C ATOM 778 CD1 ILE A 52 -2.970 4.809 6.285 1.00 0.00 C ATOM 0 H ILE A 52 -6.642 5.780 5.422 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.605 2.988 5.940 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.366 5.396 7.317 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.172 3.157 5.609 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.659 4.709 4.956 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.964 3.771 8.537 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.682 3.578 8.958 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.905 2.431 7.841 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.245 4.697 5.479 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.102 5.867 6.510 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.608 4.292 7.173 1.00 0.00 H new ATOM 790 N ASN A 53 -8.242 4.904 8.065 1.00 0.00 N ATOM 791 CA ASN A 53 -9.205 4.887 9.159 1.00 0.00 C ATOM 792 C ASN A 53 -10.291 3.838 8.918 1.00 0.00 C ATOM 793 O ASN A 53 -10.771 3.205 9.857 1.00 0.00 O ATOM 794 CB ASN A 53 -9.847 6.272 9.292 1.00 0.00 C ATOM 795 CG ASN A 53 -10.953 6.249 10.341 1.00 0.00 C ATOM 796 OD1 ASN A 53 -11.041 5.309 11.131 1.00 0.00 O ATOM 797 ND2 ASN A 53 -11.808 7.237 10.390 1.00 0.00 N ATOM 0 H ASN A 53 -8.024 5.834 7.708 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.680 4.630 10.079 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.090 7.005 9.569 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.256 6.584 8.331 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.554 7.232 11.086 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.729 8.013 9.732 1.00 0.00 H new ATOM 804 N GLU A 54 -10.681 3.664 7.663 1.00 0.00 N ATOM 805 CA GLU A 54 -11.713 2.689 7.321 1.00 0.00 C ATOM 806 C GLU A 54 -11.183 1.255 7.419 1.00 0.00 C ATOM 807 O GLU A 54 -11.873 0.368 7.919 1.00 0.00 O ATOM 808 CB GLU A 54 -12.224 2.951 5.901 1.00 0.00 C ATOM 809 CG GLU A 54 -12.956 4.295 5.857 1.00 0.00 C ATOM 810 CD GLU A 54 -14.246 4.226 6.670 1.00 0.00 C ATOM 811 OE1 GLU A 54 -14.737 3.127 6.875 1.00 0.00 O ATOM 812 OE2 GLU A 54 -14.727 5.274 7.069 1.00 0.00 O ATOM 0 H GLU A 54 -10.303 4.180 6.868 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.529 2.800 8.035 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.390 2.957 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.895 2.150 5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.311 5.080 6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.183 4.559 4.824 1.00 0.00 H new ATOM 819 N VAL A 55 -9.958 1.024 6.925 1.00 0.00 N ATOM 820 CA VAL A 55 -9.365 -0.319 6.951 1.00 0.00 C ATOM 821 C VAL A 55 -8.436 -0.511 8.153 1.00 0.00 C ATOM 822 O VAL A 55 -7.603 -1.417 8.156 1.00 0.00 O ATOM 823 CB VAL A 55 -8.587 -0.573 5.651 1.00 0.00 C ATOM 824 CG1 VAL A 55 -9.564 -0.638 4.476 1.00 0.00 C ATOM 825 CG2 VAL A 55 -7.590 0.561 5.411 1.00 0.00 C ATOM 0 H VAL A 55 -9.365 1.741 6.507 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.181 -1.036 7.042 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.049 -1.517 5.737 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.012 -0.818 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.275 -1.449 4.638 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.103 0.306 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.042 0.374 4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.127 1.506 5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.890 0.612 6.245 1.00 0.00 H new ATOM 835 N ASP A 56 -8.582 0.331 9.174 1.00 0.00 N ATOM 836 CA ASP A 56 -7.741 0.216 10.369 1.00 0.00 C ATOM 837 C ASP A 56 -8.261 -0.896 11.286 1.00 0.00 C ATOM 838 O ASP A 56 -9.357 -0.803 11.840 1.00 0.00 O ATOM 839 CB ASP A 56 -7.713 1.551 11.118 1.00 0.00 C ATOM 840 CG ASP A 56 -9.130 1.992 11.464 1.00 0.00 C ATOM 841 OD1 ASP A 56 -10.057 1.301 11.079 1.00 0.00 O ATOM 842 OD2 ASP A 56 -9.272 3.021 12.103 1.00 0.00 O ATOM 0 H ASP A 56 -9.263 1.090 9.202 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.727 -0.039 10.060 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.123 1.453 12.029 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.228 2.310 10.504 1.00 0.00 H new ATOM 847 N ALA A 57 -7.473 -1.962 11.417 1.00 0.00 N ATOM 848 CA ALA A 57 -7.862 -3.110 12.234 1.00 0.00 C ATOM 849 C ALA A 57 -8.098 -2.732 13.699 1.00 0.00 C ATOM 850 O ALA A 57 -9.217 -2.850 14.196 1.00 0.00 O ATOM 851 CB ALA A 57 -6.776 -4.182 12.157 1.00 0.00 C ATOM 0 H ALA A 57 -6.562 -2.054 10.968 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.804 -3.488 11.836 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.066 -5.038 12.766 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.651 -4.499 11.122 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.836 -3.775 12.528 1.00 0.00 H new ATOM 857 N ASP A 58 -7.045 -2.301 14.394 1.00 0.00 N ATOM 858 CA ASP A 58 -7.163 -1.937 15.807 1.00 0.00 C ATOM 859 C ASP A 58 -7.540 -0.466 15.979 1.00 0.00 C ATOM 860 O ASP A 58 -7.686 0.015 17.103 1.00 0.00 O ATOM 861 CB ASP A 58 -5.832 -2.207 16.509 1.00 0.00 C ATOM 862 CG ASP A 58 -5.973 -1.989 18.014 1.00 0.00 C ATOM 863 OD1 ASP A 58 -6.749 -2.703 18.625 1.00 0.00 O ATOM 864 OD2 ASP A 58 -5.304 -1.112 18.532 1.00 0.00 O ATOM 0 H ASP A 58 -6.108 -2.196 14.006 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.955 -2.541 16.249 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.510 -3.229 16.311 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.062 -1.547 16.110 1.00 0.00 H new ATOM 869 N GLY A 59 -7.681 0.249 14.870 1.00 0.00 N ATOM 870 CA GLY A 59 -8.027 1.666 14.935 1.00 0.00 C ATOM 871 C GLY A 59 -6.846 2.469 15.468 1.00 0.00 C ATOM 872 O GLY A 59 -7.014 3.558 16.019 1.00 0.00 O ATOM 0 H GLY A 59 -7.563 -0.121 13.927 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.305 2.026 13.944 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.894 1.808 15.580 1.00 0.00 H new ATOM 876 N ASN A 60 -5.653 1.905 15.307 1.00 0.00 N ATOM 877 CA ASN A 60 -4.430 2.538 15.777 1.00 0.00 C ATOM 878 C ASN A 60 -3.944 3.573 14.772 1.00 0.00 C ATOM 879 O ASN A 60 -3.048 4.364 15.065 1.00 0.00 O ATOM 880 CB ASN A 60 -3.352 1.468 15.980 1.00 0.00 C ATOM 881 CG ASN A 60 -3.641 0.655 17.241 1.00 0.00 C ATOM 882 OD1 ASN A 60 -4.415 1.087 18.097 1.00 0.00 O ATOM 883 ND2 ASN A 60 -3.057 -0.506 17.406 1.00 0.00 N ATOM 0 H ASN A 60 -5.509 1.004 14.851 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.632 3.042 16.722 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.318 0.808 15.113 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.373 1.940 16.060 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.242 -1.055 18.245 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.417 -0.860 16.695 1.00 0.00 H new ATOM 890 N GLY A 61 -4.537 3.552 13.582 1.00 0.00 N ATOM 891 CA GLY A 61 -4.158 4.483 12.524 1.00 0.00 C ATOM 892 C GLY A 61 -3.129 3.858 11.585 1.00 0.00 C ATOM 893 O GLY A 61 -2.553 4.540 10.738 1.00 0.00 O ATOM 0 H GLY A 61 -5.280 2.902 13.326 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.042 4.774 11.957 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.748 5.392 12.965 1.00 0.00 H new ATOM 897 N THR A 62 -2.900 2.551 11.743 1.00 0.00 N ATOM 898 CA THR A 62 -1.935 1.835 10.907 1.00 0.00 C ATOM 899 C THR A 62 -2.557 0.568 10.336 1.00 0.00 C ATOM 900 O THR A 62 -3.574 0.081 10.831 1.00 0.00 O ATOM 901 CB THR A 62 -0.703 1.471 11.749 1.00 0.00 C ATOM 902 OG1 THR A 62 -1.052 0.463 12.687 1.00 0.00 O ATOM 903 CG2 THR A 62 -0.207 2.709 12.501 1.00 0.00 C ATOM 0 H THR A 62 -3.368 1.970 12.439 1.00 0.00 H new ATOM 0 HA THR A 62 -1.640 2.480 10.079 1.00 0.00 H new ATOM 0 HB THR A 62 0.086 1.105 11.092 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.266 0.229 13.223 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.667 2.447 13.097 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.062 3.486 11.785 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.996 3.077 13.157 1.00 0.00 H new ATOM 911 N ILE A 63 -1.922 0.039 9.288 1.00 0.00 N ATOM 912 CA ILE A 63 -2.390 -1.182 8.630 1.00 0.00 C ATOM 913 C ILE A 63 -1.457 -2.341 8.950 1.00 0.00 C ATOM 914 O ILE A 63 -0.230 -2.217 8.884 1.00 0.00 O ATOM 915 CB ILE A 63 -2.452 -0.980 7.125 1.00 0.00 C ATOM 916 CG1 ILE A 63 -3.451 0.132 6.807 1.00 0.00 C ATOM 917 CG2 ILE A 63 -2.918 -2.276 6.446 1.00 0.00 C ATOM 918 CD1 ILE A 63 -3.278 0.555 5.361 1.00 0.00 C ATOM 0 H ILE A 63 -1.079 0.439 8.876 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.389 -1.412 9.000 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.462 -0.711 6.758 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.469 -0.217 6.977 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.291 0.983 7.470 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.961 -2.126 5.367 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.216 -3.079 6.673 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.908 -2.544 6.815 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.988 1.348 5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.262 0.920 5.208 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.459 -0.299 4.708 1.00 0.00 H new ATOM 930 N ASP A 64 -2.060 -3.451 9.320 1.00 0.00 N ATOM 931 CA ASP A 64 -1.297 -4.652 9.697 1.00 0.00 C ATOM 932 C ASP A 64 -0.858 -5.449 8.467 1.00 0.00 C ATOM 933 O ASP A 64 -1.315 -5.200 7.354 1.00 0.00 O ATOM 934 CB ASP A 64 -2.131 -5.548 10.615 1.00 0.00 C ATOM 935 CG ASP A 64 -2.421 -4.828 11.928 1.00 0.00 C ATOM 936 OD1 ASP A 64 -1.759 -3.840 12.200 1.00 0.00 O ATOM 937 OD2 ASP A 64 -3.297 -5.274 12.648 1.00 0.00 O ATOM 0 H ASP A 64 -3.073 -3.560 9.372 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.404 -4.318 10.226 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.066 -5.815 10.123 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.597 -6.478 10.811 1.00 0.00 H new ATOM 942 N PHE A 65 0.047 -6.399 8.693 1.00 0.00 N ATOM 943 CA PHE A 65 0.580 -7.239 7.620 1.00 0.00 C ATOM 944 C PHE A 65 -0.545 -7.857 6.755 1.00 0.00 C ATOM 945 O PHE A 65 -0.646 -7.569 5.552 1.00 0.00 O ATOM 946 CB PHE A 65 1.453 -8.358 8.248 1.00 0.00 C ATOM 947 CG PHE A 65 2.894 -7.932 8.353 1.00 0.00 C ATOM 948 CD1 PHE A 65 3.718 -7.988 7.232 1.00 0.00 C ATOM 949 CD2 PHE A 65 3.403 -7.497 9.579 1.00 0.00 C ATOM 950 CE1 PHE A 65 5.053 -7.612 7.331 1.00 0.00 C ATOM 951 CE2 PHE A 65 4.739 -7.119 9.684 1.00 0.00 C ATOM 952 CZ PHE A 65 5.568 -7.177 8.557 1.00 0.00 C ATOM 0 H PHE A 65 0.429 -6.608 9.615 1.00 0.00 H new ATOM 0 HA PHE A 65 1.183 -6.616 6.959 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.072 -8.607 9.238 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.382 -9.261 7.642 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.320 -8.323 6.286 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.760 -7.454 10.446 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.692 -7.656 6.462 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.134 -6.782 10.631 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.605 -6.886 8.634 1.00 0.00 H new ATOM 962 N PRO A 66 -1.360 -8.720 7.323 1.00 0.00 N ATOM 963 CA PRO A 66 -2.450 -9.409 6.570 1.00 0.00 C ATOM 964 C PRO A 66 -3.436 -8.442 5.923 1.00 0.00 C ATOM 965 O PRO A 66 -3.834 -8.621 4.771 1.00 0.00 O ATOM 966 CB PRO A 66 -3.145 -10.288 7.636 1.00 0.00 C ATOM 967 CG PRO A 66 -2.734 -9.715 8.955 1.00 0.00 C ATOM 968 CD PRO A 66 -1.348 -9.131 8.737 1.00 0.00 C ATOM 0 HA PRO A 66 -2.052 -9.983 5.733 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.228 -10.265 7.518 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.837 -11.330 7.547 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.435 -8.948 9.284 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.718 -10.484 9.728 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.162 -8.285 9.398 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.568 -9.867 8.933 1.00 0.00 H new ATOM 976 N GLU A 67 -3.833 -7.426 6.673 1.00 0.00 N ATOM 977 CA GLU A 67 -4.785 -6.448 6.172 1.00 0.00 C ATOM 978 C GLU A 67 -4.390 -5.967 4.785 1.00 0.00 C ATOM 979 O GLU A 67 -5.195 -6.001 3.853 1.00 0.00 O ATOM 980 CB GLU A 67 -4.845 -5.263 7.132 1.00 0.00 C ATOM 981 CG GLU A 67 -5.487 -5.698 8.448 1.00 0.00 C ATOM 982 CD GLU A 67 -6.966 -5.992 8.226 1.00 0.00 C ATOM 983 OE1 GLU A 67 -7.504 -5.505 7.245 1.00 0.00 O ATOM 984 OE2 GLU A 67 -7.540 -6.705 9.032 1.00 0.00 O ATOM 0 H GLU A 67 -3.512 -7.258 7.627 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.766 -6.919 6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.841 -4.880 7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.420 -4.451 6.687 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.984 -6.585 8.833 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.371 -4.915 9.197 1.00 0.00 H new ATOM 991 N PHE A 68 -3.148 -5.520 4.653 1.00 0.00 N ATOM 992 CA PHE A 68 -2.655 -5.032 3.375 1.00 0.00 C ATOM 993 C PHE A 68 -2.715 -6.139 2.332 1.00 0.00 C ATOM 994 O PHE A 68 -3.190 -5.939 1.213 1.00 0.00 O ATOM 995 CB PHE A 68 -1.220 -4.544 3.525 1.00 0.00 C ATOM 996 CG PHE A 68 -0.742 -3.986 2.208 1.00 0.00 C ATOM 997 CD1 PHE A 68 -0.214 -4.843 1.237 1.00 0.00 C ATOM 998 CD2 PHE A 68 -0.816 -2.607 1.963 1.00 0.00 C ATOM 999 CE1 PHE A 68 0.238 -4.323 0.018 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -0.362 -2.090 0.744 1.00 0.00 C ATOM 1001 CZ PHE A 68 0.163 -2.949 -0.228 1.00 0.00 C ATOM 0 H PHE A 68 -2.468 -5.486 5.412 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.284 -4.204 3.049 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.163 -3.779 4.299 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.576 -5.365 3.840 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.155 -5.904 1.427 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.223 -1.945 2.713 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.645 -4.984 -0.733 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.417 -1.028 0.554 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.511 -2.550 -1.169 1.00 0.00 H new ATOM 1011 N LEU A 69 -2.243 -7.314 2.717 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.249 -8.457 1.817 1.00 0.00 C ATOM 1013 C LEU A 69 -3.659 -8.733 1.300 1.00 0.00 C ATOM 1014 O LEU A 69 -3.830 -9.298 0.220 1.00 0.00 O ATOM 1015 CB LEU A 69 -1.691 -9.687 2.551 1.00 0.00 C ATOM 1016 CG LEU A 69 -2.012 -11.005 1.785 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -0.848 -11.998 1.929 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -3.300 -11.649 2.344 1.00 0.00 C ATOM 0 H LEU A 69 -1.853 -7.501 3.641 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.617 -8.235 0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.612 -9.585 2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.114 -9.736 3.554 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.156 -10.764 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.084 -12.915 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.059 -11.557 1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.693 -12.227 2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.513 -12.569 1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.164 -11.876 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.134 -10.957 2.226 1.00 0.00 H new ATOM 1030 N THR A 70 -4.668 -8.353 2.075 1.00 0.00 N ATOM 1031 CA THR A 70 -6.054 -8.583 1.681 1.00 0.00 C ATOM 1032 C THR A 70 -6.623 -7.439 0.837 1.00 0.00 C ATOM 1033 O THR A 70 -6.893 -7.606 -0.353 1.00 0.00 O ATOM 1034 CB THR A 70 -6.893 -8.765 2.938 1.00 0.00 C ATOM 1035 OG1 THR A 70 -6.259 -9.719 3.783 1.00 0.00 O ATOM 1036 CG2 THR A 70 -8.286 -9.264 2.556 1.00 0.00 C ATOM 0 H THR A 70 -4.554 -7.887 2.975 1.00 0.00 H new ATOM 0 HA THR A 70 -6.085 -9.478 1.060 1.00 0.00 H new ATOM 0 HB THR A 70 -6.985 -7.813 3.461 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.499 -9.299 4.238 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.886 -9.394 3.457 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.767 -8.536 1.902 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.201 -10.218 2.036 1.00 0.00 H new ATOM 1205 N ALA B 48 -9.849 4.602 -2.535 1.00 0.00 N ATOM 1206 CA ALA B 48 -8.772 3.913 -1.829 1.00 0.00 C ATOM 1207 C ALA B 48 -8.093 2.852 -2.707 1.00 0.00 C ATOM 1208 O ALA B 48 -6.865 2.798 -2.782 1.00 0.00 O ATOM 1209 CB ALA B 48 -9.347 3.255 -0.569 1.00 0.00 C ATOM 0 HA ALA B 48 -8.012 4.648 -1.564 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -8.551 2.737 -0.033 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.780 4.020 0.076 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.119 2.539 -0.852 1.00 0.00 H new ATOM 1215 N ALA B 49 -8.891 2.008 -3.356 1.00 0.00 N ATOM 1216 CA ALA B 49 -8.346 0.951 -4.206 1.00 0.00 C ATOM 1217 C ALA B 49 -7.467 1.534 -5.312 1.00 0.00 C ATOM 1218 O ALA B 49 -6.360 1.053 -5.561 1.00 0.00 O ATOM 1219 CB ALA B 49 -9.496 0.155 -4.833 1.00 0.00 C ATOM 0 H ALA B 49 -9.910 2.034 -3.311 1.00 0.00 H new ATOM 0 HA ALA B 49 -7.732 0.295 -3.588 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -9.090 -0.633 -5.467 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -10.103 -0.290 -4.044 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -10.114 0.821 -5.434 1.00 0.00 H new ATOM 1225 N LEU B 50 -7.972 2.568 -5.973 1.00 0.00 N ATOM 1226 CA LEU B 50 -7.236 3.212 -7.053 1.00 0.00 C ATOM 1227 C LEU B 50 -5.936 3.814 -6.510 1.00 0.00 C ATOM 1228 O LEU B 50 -4.878 3.727 -7.133 1.00 0.00 O ATOM 1229 CB LEU B 50 -8.112 4.315 -7.679 1.00 0.00 C ATOM 1230 CG LEU B 50 -7.748 4.520 -9.158 1.00 0.00 C ATOM 1231 CD1 LEU B 50 -8.608 5.643 -9.743 1.00 0.00 C ATOM 1232 CD2 LEU B 50 -6.262 4.884 -9.293 1.00 0.00 C ATOM 0 H LEU B 50 -8.886 2.978 -5.781 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.987 2.474 -7.816 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -9.164 4.044 -7.592 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -7.977 5.248 -7.133 1.00 0.00 H new ATOM 0 HG LEU B 50 -7.935 3.594 -9.702 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.351 5.789 -10.792 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -9.661 5.375 -9.662 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -8.425 6.566 -9.192 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -6.016 5.027 -10.345 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -6.062 5.805 -8.746 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -5.652 4.079 -8.884 1.00 0.00 H new ATOM 1244 N SER B 51 -6.031 4.427 -5.338 1.00 0.00 N ATOM 1245 CA SER B 51 -4.874 5.049 -4.712 1.00 0.00 C ATOM 1246 C SER B 51 -3.766 4.024 -4.518 1.00 0.00 C ATOM 1247 O SER B 51 -2.595 4.293 -4.798 1.00 0.00 O ATOM 1248 CB SER B 51 -5.279 5.620 -3.354 1.00 0.00 C ATOM 1249 OG SER B 51 -6.324 6.564 -3.537 1.00 0.00 O ATOM 0 H SER B 51 -6.896 4.506 -4.803 1.00 0.00 H new ATOM 0 HA SER B 51 -4.509 5.849 -5.356 1.00 0.00 H new ATOM 0 HB2 SER B 51 -5.608 4.819 -2.693 1.00 0.00 H new ATOM 0 HB3 SER B 51 -4.423 6.096 -2.876 1.00 0.00 H new ATOM 0 HG SER B 51 -6.588 6.932 -2.668 1.00 0.00 H new ATOM 1255 N TRP B 52 -4.149 2.849 -4.047 1.00 0.00 N ATOM 1256 CA TRP B 52 -3.196 1.777 -3.823 1.00 0.00 C ATOM 1257 C TRP B 52 -2.585 1.316 -5.146 1.00 0.00 C ATOM 1258 O TRP B 52 -1.395 1.014 -5.216 1.00 0.00 O ATOM 1259 CB TRP B 52 -3.899 0.603 -3.129 1.00 0.00 C ATOM 1260 CG TRP B 52 -4.125 0.916 -1.678 1.00 0.00 C ATOM 1261 CD1 TRP B 52 -5.338 1.006 -1.081 1.00 0.00 C ATOM 1262 CD2 TRP B 52 -3.138 1.184 -0.636 1.00 0.00 C ATOM 1263 NE1 TRP B 52 -5.158 1.301 0.260 1.00 0.00 N ATOM 1264 CE2 TRP B 52 -3.820 1.422 0.583 1.00 0.00 C ATOM 1265 CE3 TRP B 52 -1.730 1.239 -0.627 1.00 0.00 C ATOM 1266 CZ2 TRP B 52 -3.132 1.705 1.765 1.00 0.00 C ATOM 1267 CZ3 TRP B 52 -1.035 1.523 0.559 1.00 0.00 C ATOM 1268 CH2 TRP B 52 -1.733 1.754 1.752 1.00 0.00 C ATOM 0 H TRP B 52 -5.113 2.614 -3.813 1.00 0.00 H new ATOM 0 HA TRP B 52 -2.393 2.146 -3.185 1.00 0.00 H new ATOM 0 HB2 TRP B 52 -4.852 0.401 -3.617 1.00 0.00 H new ATOM 0 HB3 TRP B 52 -3.295 -0.299 -3.224 1.00 0.00 H new ATOM 0 HD1 TRP B 52 -6.291 0.870 -1.571 1.00 0.00 H new ATOM 0 HE1 TRP B 52 -5.920 1.415 0.928 1.00 0.00 H new ATOM 0 HE3 TRP B 52 -1.181 1.061 -1.540 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 -3.675 1.885 2.681 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 0.044 1.564 0.552 1.00 0.00 H new ATOM 0 HH2 TRP B 52 -1.192 1.970 2.661 1.00 0.00 H new ATOM 1279 N GLN B 53 -3.409 1.260 -6.190 1.00 0.00 N ATOM 1280 CA GLN B 53 -2.938 0.824 -7.504 1.00 0.00 C ATOM 1281 C GLN B 53 -1.856 1.762 -8.049 1.00 0.00 C ATOM 1282 O GLN B 53 -0.827 1.307 -8.550 1.00 0.00 O ATOM 1283 CB GLN B 53 -4.115 0.772 -8.485 1.00 0.00 C ATOM 1284 CG GLN B 53 -3.652 0.173 -9.816 1.00 0.00 C ATOM 1285 CD GLN B 53 -4.825 0.076 -10.786 1.00 0.00 C ATOM 1286 OE1 GLN B 53 -5.984 0.110 -10.369 1.00 0.00 O ATOM 1287 NE2 GLN B 53 -4.590 -0.047 -12.066 1.00 0.00 N ATOM 0 H GLN B 53 -4.398 1.508 -6.154 1.00 0.00 H new ATOM 0 HA GLN B 53 -2.503 -0.169 -7.394 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.923 0.172 -8.067 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.512 1.774 -8.645 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.864 0.791 -10.247 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -3.226 -0.816 -9.649 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -3.629 -0.075 -12.408 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -5.367 -0.115 -12.723 1.00 0.00 H new ATOM 1296 N ALA B 54 -2.095 3.068 -7.957 1.00 0.00 N ATOM 1297 CA ALA B 54 -1.131 4.050 -8.455 1.00 0.00 C ATOM 1298 C ALA B 54 0.154 4.029 -7.630 1.00 0.00 C ATOM 1299 O ALA B 54 1.252 4.164 -8.173 1.00 0.00 O ATOM 1300 CB ALA B 54 -1.745 5.452 -8.414 1.00 0.00 C ATOM 0 H ALA B 54 -2.938 3.469 -7.547 1.00 0.00 H new ATOM 0 HA ALA B 54 -0.883 3.788 -9.484 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -1.021 6.177 -8.786 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -2.638 5.477 -9.039 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -2.014 5.702 -7.388 1.00 0.00 H new ATOM 1306 N ALA B 55 0.013 3.866 -6.318 1.00 0.00 N ATOM 1307 CA ALA B 55 1.171 3.837 -5.429 1.00 0.00 C ATOM 1308 C ALA B 55 2.070 2.644 -5.750 1.00 0.00 C ATOM 1309 O ALA B 55 3.293 2.774 -5.810 1.00 0.00 O ATOM 1310 CB ALA B 55 0.702 3.750 -3.976 1.00 0.00 C ATOM 0 H ALA B 55 -0.885 3.753 -5.849 1.00 0.00 H new ATOM 0 HA ALA B 55 1.744 4.753 -5.576 1.00 0.00 H new ATOM 0 HB1 ALA B 55 1.568 3.728 -3.315 1.00 0.00 H new ATOM 0 HB2 ALA B 55 0.087 4.618 -3.740 1.00 0.00 H new ATOM 0 HB3 ALA B 55 0.116 2.841 -3.836 1.00 0.00 H new ATOM 1316 N ILE B 56 1.454 1.484 -5.956 1.00 0.00 N ATOM 1317 CA ILE B 56 2.200 0.272 -6.273 1.00 0.00 C ATOM 1318 C ILE B 56 2.893 0.407 -7.628 1.00 0.00 C ATOM 1319 O ILE B 56 4.059 0.048 -7.781 1.00 0.00 O ATOM 1320 CB ILE B 56 1.242 -0.926 -6.298 1.00 0.00 C ATOM 1321 CG1 ILE B 56 0.730 -1.195 -4.880 1.00 0.00 C ATOM 1322 CG2 ILE B 56 1.969 -2.170 -6.817 1.00 0.00 C ATOM 1323 CD1 ILE B 56 -0.444 -2.179 -4.930 1.00 0.00 C ATOM 0 H ILE B 56 0.443 1.358 -5.909 1.00 0.00 H new ATOM 0 HA ILE B 56 2.961 0.117 -5.508 1.00 0.00 H new ATOM 0 HB ILE B 56 0.405 -0.699 -6.958 1.00 0.00 H new ATOM 0 HG12 ILE B 56 1.532 -1.603 -4.265 1.00 0.00 H new ATOM 0 HG13 ILE B 56 0.414 -0.261 -4.414 1.00 0.00 H new ATOM 0 HG21 ILE B 56 1.280 -3.015 -6.831 1.00 0.00 H new ATOM 0 HG22 ILE B 56 2.334 -1.983 -7.827 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.811 -2.399 -6.163 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.804 -2.367 -3.919 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -1.249 -1.754 -5.529 1.00 0.00 H new ATOM 0 HD13 ILE B 56 -0.114 -3.116 -5.378 1.00 0.00 H new ATOM 1335 N ASP B 57 2.163 0.928 -8.608 1.00 0.00 N ATOM 1336 CA ASP B 57 2.707 1.104 -9.948 1.00 0.00 C ATOM 1337 C ASP B 57 3.868 2.093 -9.939 1.00 0.00 C ATOM 1338 O ASP B 57 4.940 1.814 -10.477 1.00 0.00 O ATOM 1339 CB ASP B 57 1.606 1.607 -10.881 1.00 0.00 C ATOM 1340 CG ASP B 57 2.156 1.807 -12.291 1.00 0.00 C ATOM 1341 OD1 ASP B 57 2.521 0.821 -12.909 1.00 0.00 O ATOM 1342 OD2 ASP B 57 2.199 2.944 -12.731 1.00 0.00 O ATOM 0 H ASP B 57 1.196 1.235 -8.500 1.00 0.00 H new ATOM 0 HA ASP B 57 3.080 0.143 -10.302 1.00 0.00 H new ATOM 0 HB2 ASP B 57 0.783 0.892 -10.902 1.00 0.00 H new ATOM 0 HB3 ASP B 57 1.202 2.547 -10.504 1.00 0.00 H new ATOM 1347 N ALA B 58 3.648 3.251 -9.323 1.00 0.00 N ATOM 1348 CA ALA B 58 4.683 4.274 -9.247 1.00 0.00 C ATOM 1349 C ALA B 58 5.853 3.793 -8.389 1.00 0.00 C ATOM 1350 O ALA B 58 7.015 4.052 -8.707 1.00 0.00 O ATOM 1351 CB ALA B 58 4.097 5.560 -8.663 1.00 0.00 C ATOM 0 H ALA B 58 2.768 3.502 -8.872 1.00 0.00 H new ATOM 0 HA ALA B 58 5.053 4.472 -10.253 1.00 0.00 H new ATOM 0 HB1 ALA B 58 4.874 6.322 -8.608 1.00 0.00 H new ATOM 0 HB2 ALA B 58 3.287 5.913 -9.301 1.00 0.00 H new ATOM 0 HB3 ALA B 58 3.711 5.363 -7.663 1.00 0.00 H new ATOM 1357 N ALA B 59 5.540 3.085 -7.306 1.00 0.00 N ATOM 1358 CA ALA B 59 6.576 2.567 -6.417 1.00 0.00 C ATOM 1359 C ALA B 59 7.442 1.550 -7.157 1.00 0.00 C ATOM 1360 O ALA B 59 8.664 1.532 -7.008 1.00 0.00 O ATOM 1361 CB ALA B 59 5.925 1.911 -5.195 1.00 0.00 C ATOM 0 H ALA B 59 4.586 2.859 -7.025 1.00 0.00 H new ATOM 0 HA ALA B 59 7.208 3.391 -6.087 1.00 0.00 H new ATOM 0 HB1 ALA B 59 6.700 1.525 -4.533 1.00 0.00 H new ATOM 0 HB2 ALA B 59 5.327 2.649 -4.661 1.00 0.00 H new ATOM 0 HB3 ALA B 59 5.284 1.091 -5.520 1.00 0.00 H new ATOM 1367 N ARG B 60 6.796 0.715 -7.963 1.00 0.00 N ATOM 1368 CA ARG B 60 7.501 -0.297 -8.738 1.00 0.00 C ATOM 1369 C ARG B 60 8.421 0.351 -9.764 1.00 0.00 C ATOM 1370 O ARG B 60 9.550 -0.097 -9.969 1.00 0.00 O ATOM 1371 CB ARG B 60 6.478 -1.188 -9.445 1.00 0.00 C ATOM 1372 CG ARG B 60 5.775 -2.095 -8.415 1.00 0.00 C ATOM 1373 CD ARG B 60 6.571 -3.386 -8.226 1.00 0.00 C ATOM 1374 NE ARG B 60 6.018 -4.160 -7.131 1.00 0.00 N ATOM 1375 CZ ARG B 60 4.898 -4.861 -7.273 1.00 0.00 C ATOM 1376 NH1 ARG B 60 4.222 -4.816 -8.396 1.00 0.00 N ATOM 1377 NH2 ARG B 60 4.466 -5.584 -6.279 1.00 0.00 N ATOM 0 H ARG B 60 5.785 0.720 -8.096 1.00 0.00 H new ATOM 0 HA ARG B 60 8.113 -0.897 -8.064 1.00 0.00 H new ATOM 0 HB2 ARG B 60 5.743 -0.573 -9.963 1.00 0.00 H new ATOM 0 HB3 ARG B 60 6.973 -1.797 -10.201 1.00 0.00 H new ATOM 0 HG2 ARG B 60 5.681 -1.573 -7.463 1.00 0.00 H new ATOM 0 HG3 ARG B 60 4.765 -2.327 -8.752 1.00 0.00 H new ATOM 0 HD2 ARG B 60 6.548 -3.973 -9.144 1.00 0.00 H new ATOM 0 HD3 ARG B 60 7.616 -3.151 -8.024 1.00 0.00 H new ATOM 0 HE ARG B 60 6.500 -4.166 -6.232 1.00 0.00 H new ATOM 0 HH11 ARG B 60 4.555 -4.240 -9.169 1.00 0.00 H new ATOM 0 HH12 ARG B 60 3.363 -5.357 -8.496 1.00 0.00 H new ATOM 0 HH21 ARG B 60 4.986 -5.608 -5.402 1.00 0.00 H new ATOM 0 HH22 ARG B 60 3.607 -6.126 -6.378 1.00 0.00 H new ATOM 1391 N GLN B 61 7.934 1.409 -10.402 1.00 0.00 N ATOM 1392 CA GLN B 61 8.729 2.111 -11.400 1.00 0.00 C ATOM 1393 C GLN B 61 9.933 2.764 -10.733 1.00 0.00 C ATOM 1394 O GLN B 61 11.045 2.729 -11.262 1.00 0.00 O ATOM 1395 CB GLN B 61 7.876 3.177 -12.097 1.00 0.00 C ATOM 1396 CG GLN B 61 8.718 3.894 -13.157 1.00 0.00 C ATOM 1397 CD GLN B 61 7.846 4.854 -13.966 1.00 0.00 C ATOM 1398 OE1 GLN B 61 6.551 4.858 -13.790 1.00 0.00 O flip ATOM 1399 NE2 GLN B 61 8.361 5.622 -14.780 1.00 0.00 N flip ATOM 0 H GLN B 61 7.003 1.796 -10.248 1.00 0.00 H new ATOM 0 HA GLN B 61 9.077 1.395 -12.145 1.00 0.00 H new ATOM 0 HB2 GLN B 61 7.005 2.714 -12.561 1.00 0.00 H new ATOM 0 HB3 GLN B 61 7.504 3.895 -11.366 1.00 0.00 H new ATOM 0 HG2 GLN B 61 9.528 4.444 -12.677 1.00 0.00 H new ATOM 0 HG3 GLN B 61 9.179 3.163 -13.821 1.00 0.00 H new ATOM 0 HE21 GLN B 61 9.372 5.618 -14.916 1.00 0.00 H new ATOM 0 HE22 GLN B 61 7.777 6.262 -15.318 1.00 0.00 H new ATOM 1408 N ALA B 62 9.702 3.353 -9.564 1.00 0.00 N ATOM 1409 CA ALA B 62 10.771 4.008 -8.821 1.00 0.00 C ATOM 1410 C ALA B 62 11.801 2.983 -8.354 1.00 0.00 C ATOM 1411 O ALA B 62 13.006 3.189 -8.500 1.00 0.00 O ATOM 1412 CB ALA B 62 10.188 4.742 -7.612 1.00 0.00 C ATOM 0 H ALA B 62 8.788 3.390 -9.113 1.00 0.00 H new ATOM 0 HA ALA B 62 11.263 4.726 -9.477 1.00 0.00 H new ATOM 0 HB1 ALA B 62 10.992 5.230 -7.060 1.00 0.00 H new ATOM 0 HB2 ALA B 62 9.474 5.492 -7.951 1.00 0.00 H new ATOM 0 HB3 ALA B 62 9.683 4.028 -6.962 1.00 0.00 H new ATOM 1418 N LYS B 63 11.316 1.876 -7.797 1.00 0.00 N ATOM 1419 CA LYS B 63 12.200 0.821 -7.318 1.00 0.00 C ATOM 1420 C LYS B 63 12.975 0.206 -8.479 1.00 0.00 C ATOM 1421 O LYS B 63 14.190 0.018 -8.396 1.00 0.00 O ATOM 1422 CB LYS B 63 11.381 -0.266 -6.614 1.00 0.00 C ATOM 1423 CG LYS B 63 12.320 -1.319 -6.019 1.00 0.00 C ATOM 1424 CD LYS B 63 11.500 -2.366 -5.260 1.00 0.00 C ATOM 1425 CE LYS B 63 12.436 -3.410 -4.649 1.00 0.00 C ATOM 1426 NZ LYS B 63 11.635 -4.405 -3.887 1.00 0.00 N ATOM 0 H LYS B 63 10.322 1.688 -7.667 1.00 0.00 H new ATOM 0 HA LYS B 63 12.908 1.256 -6.613 1.00 0.00 H new ATOM 0 HB2 LYS B 63 10.772 0.178 -5.827 1.00 0.00 H new ATOM 0 HB3 LYS B 63 10.696 -0.734 -7.321 1.00 0.00 H new ATOM 0 HG2 LYS B 63 12.896 -1.797 -6.811 1.00 0.00 H new ATOM 0 HG3 LYS B 63 13.035 -0.845 -5.347 1.00 0.00 H new ATOM 0 HD2 LYS B 63 10.915 -1.885 -4.476 1.00 0.00 H new ATOM 0 HD3 LYS B 63 10.793 -2.848 -5.935 1.00 0.00 H new ATOM 0 HE2 LYS B 63 13.005 -3.909 -5.434 1.00 0.00 H new ATOM 0 HE3 LYS B 63 13.158 -2.927 -3.991 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 12.270 -5.116 -3.471 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 11.111 -3.922 -3.129 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 10.963 -4.874 -4.528 1.00 0.00 H new ATOM 1440 N LEU B 64 12.264 -0.107 -9.557 1.00 0.00 N ATOM 1441 CA LEU B 64 12.899 -0.705 -10.727 1.00 0.00 C ATOM 1442 C LEU B 64 13.924 0.243 -11.343 1.00 0.00 C ATOM 1443 O LEU B 64 15.047 -0.160 -11.652 1.00 0.00 O ATOM 1444 CB LEU B 64 11.824 -1.060 -11.769 1.00 0.00 C ATOM 1445 CG LEU B 64 12.478 -1.579 -13.061 1.00 0.00 C ATOM 1446 CD1 LEU B 64 13.389 -2.775 -12.745 1.00 0.00 C ATOM 1447 CD2 LEU B 64 11.383 -2.015 -14.042 1.00 0.00 C ATOM 0 H LEU B 64 11.259 0.041 -9.646 1.00 0.00 H new ATOM 0 HA LEU B 64 13.421 -1.609 -10.412 1.00 0.00 H new ATOM 0 HB2 LEU B 64 11.153 -1.817 -11.364 1.00 0.00 H new ATOM 0 HB3 LEU B 64 11.218 -0.181 -11.989 1.00 0.00 H new ATOM 0 HG LEU B 64 13.077 -0.784 -13.506 1.00 0.00 H new ATOM 0 HD11 LEU B 64 13.848 -3.136 -13.665 1.00 0.00 H new ATOM 0 HD12 LEU B 64 14.168 -2.465 -12.049 1.00 0.00 H new ATOM 0 HD13 LEU B 64 12.798 -3.574 -12.296 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.842 -2.384 -14.959 1.00 0.00 H new ATOM 0 HD22 LEU B 64 10.785 -2.807 -13.591 1.00 0.00 H new ATOM 0 HD23 LEU B 64 10.742 -1.164 -14.273 1.00 0.00 H new ATOM 1459 N MET B 65 13.530 1.499 -11.530 1.00 0.00 N ATOM 1460 CA MET B 65 14.422 2.490 -12.120 1.00 0.00 C ATOM 1461 C MET B 65 15.590 2.805 -11.190 1.00 0.00 C ATOM 1462 O MET B 65 16.719 2.997 -11.642 1.00 0.00 O ATOM 1463 CB MET B 65 13.642 3.771 -12.435 1.00 0.00 C ATOM 1464 CG MET B 65 12.771 3.550 -13.677 1.00 0.00 C ATOM 1465 SD MET B 65 11.853 5.063 -14.050 1.00 0.00 S ATOM 1466 CE MET B 65 13.130 5.860 -15.056 1.00 0.00 C ATOM 0 H MET B 65 12.606 1.852 -11.283 1.00 0.00 H new ATOM 0 HA MET B 65 14.828 2.076 -13.043 1.00 0.00 H new ATOM 0 HB2 MET B 65 13.018 4.047 -11.585 1.00 0.00 H new ATOM 0 HB3 MET B 65 14.333 4.597 -12.605 1.00 0.00 H new ATOM 0 HG2 MET B 65 13.395 3.272 -14.527 1.00 0.00 H new ATOM 0 HG3 MET B 65 12.079 2.725 -13.506 1.00 0.00 H new ATOM 0 HE1 MET B 65 12.770 6.830 -15.400 1.00 0.00 H new ATOM 0 HE2 MET B 65 14.031 5.999 -14.458 1.00 0.00 H new ATOM 0 HE3 MET B 65 13.360 5.232 -15.917 1.00 0.00 H new ATOM 1476 N GLY B 66 15.314 2.852 -9.888 1.00 0.00 N ATOM 1477 CA GLY B 66 16.350 3.139 -8.895 1.00 0.00 C ATOM 1478 C GLY B 66 16.427 4.633 -8.573 1.00 0.00 C ATOM 1479 O GLY B 66 17.127 5.037 -7.644 1.00 0.00 O ATOM 0 H GLY B 66 14.385 2.696 -9.496 1.00 0.00 H new ATOM 0 HA2 GLY B 66 16.144 2.580 -7.982 1.00 0.00 H new ATOM 0 HA3 GLY B 66 17.316 2.797 -9.267 1.00 0.00 H new