USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 514 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 23 ASN : amide:sc= -0.349 X(o=0.13,f=0.36) USER MOD Set 1.2: A 55 TYR OH : rot 41:sc= 0.476 USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0258 (180deg=0) USER MOD Single : A 2 SER OG : rot -47:sc= 0.393 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0972 USER MOD Single : A 6 SER OG : rot -2:sc= 1.04 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -26:sc= -1.59 USER MOD Single : A 18 MET CE :methyl -162:sc= -0.0302 (180deg=-0.248) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.0369 K(o=-0.037,f=-1.8!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 83:sc= -1.07 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 151:sc= -0.0323 (180deg=-0.192) USER MOD Single : A 50 ASN : amide:sc= -1.24 K(o=-1.2,f=-3.5!) USER MOD Single : A 52 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.21) USER MOD Single : A 58 SER OG : rot 84:sc= 0.0303 USER MOD Single : A 59 ASN : amide:sc= -1.73 K(o=-1.7,f=-6.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.334 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 44.565 12.647 3.485 1.00 0.00 N ATOM 2 CA GLY A 1 43.199 12.054 3.552 1.00 0.00 C ATOM 3 C GLY A 1 43.018 11.056 2.408 1.00 0.00 C ATOM 4 O GLY A 1 43.933 10.336 2.051 1.00 0.00 O ATOM 0 H1 GLY A 1 44.952 12.737 4.446 1.00 0.00 H new ATOM 0 H2 GLY A 1 45.183 12.031 2.919 1.00 0.00 H new ATOM 0 H3 GLY A 1 44.514 13.587 3.043 1.00 0.00 H new ATOM 0 HA2 GLY A 1 43.055 11.555 4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 1 42.447 12.840 3.485 1.00 0.00 H new ATOM 10 N SER A 2 41.844 11.009 1.832 1.00 0.00 N ATOM 11 CA SER A 2 41.592 10.058 0.707 1.00 0.00 C ATOM 12 C SER A 2 41.084 10.817 -0.522 1.00 0.00 C ATOM 13 O SER A 2 40.320 10.295 -1.312 1.00 0.00 O ATOM 14 CB SER A 2 40.518 9.104 1.228 1.00 0.00 C ATOM 15 OG SER A 2 40.371 8.021 0.319 1.00 0.00 O ATOM 0 H SER A 2 41.047 11.590 2.093 1.00 0.00 H new ATOM 0 HA SER A 2 42.495 9.529 0.403 1.00 0.00 H new ATOM 0 HB2 SER A 2 40.794 8.731 2.214 1.00 0.00 H new ATOM 0 HB3 SER A 2 39.570 9.631 1.340 1.00 0.00 H new ATOM 0 HG SER A 2 40.310 8.368 -0.596 1.00 0.00 H new ATOM 21 N MET A 3 41.506 12.045 -0.688 1.00 0.00 N ATOM 22 CA MET A 3 41.054 12.847 -1.863 1.00 0.00 C ATOM 23 C MET A 3 41.902 14.115 -1.998 1.00 0.00 C ATOM 24 O MET A 3 42.281 14.504 -3.086 1.00 0.00 O ATOM 25 CB MET A 3 39.598 13.205 -1.563 1.00 0.00 C ATOM 26 CG MET A 3 38.965 13.853 -2.795 1.00 0.00 C ATOM 27 SD MET A 3 38.762 12.607 -4.093 1.00 0.00 S ATOM 28 CE MET A 3 39.162 13.675 -5.497 1.00 0.00 C ATOM 0 H MET A 3 42.146 12.527 -0.057 1.00 0.00 H new ATOM 0 HA MET A 3 41.154 12.298 -2.799 1.00 0.00 H new ATOM 0 HB2 MET A 3 39.043 12.309 -1.285 1.00 0.00 H new ATOM 0 HB3 MET A 3 39.548 13.887 -0.715 1.00 0.00 H new ATOM 0 HG2 MET A 3 37.998 14.285 -2.536 1.00 0.00 H new ATOM 0 HG3 MET A 3 39.593 14.669 -3.154 1.00 0.00 H new ATOM 0 HE1 MET A 3 39.098 13.101 -6.421 1.00 0.00 H new ATOM 0 HE2 MET A 3 38.456 14.505 -5.536 1.00 0.00 H new ATOM 0 HE3 MET A 3 40.174 14.064 -5.381 1.00 0.00 H new ATOM 38 N SER A 4 42.200 14.759 -0.897 1.00 0.00 N ATOM 39 CA SER A 4 43.024 16.004 -0.951 1.00 0.00 C ATOM 40 C SER A 4 44.516 15.655 -0.936 1.00 0.00 C ATOM 41 O SER A 4 45.266 16.131 -0.105 1.00 0.00 O ATOM 42 CB SER A 4 42.640 16.784 0.306 1.00 0.00 C ATOM 43 OG SER A 4 41.248 17.074 0.273 1.00 0.00 O ATOM 0 H SER A 4 41.907 14.475 0.038 1.00 0.00 H new ATOM 0 HA SER A 4 42.845 16.580 -1.859 1.00 0.00 H new ATOM 0 HB2 SER A 4 42.881 16.203 1.196 1.00 0.00 H new ATOM 0 HB3 SER A 4 43.214 17.709 0.364 1.00 0.00 H new ATOM 0 HG SER A 4 40.999 17.573 1.079 1.00 0.00 H new ATOM 49 N THR A 5 44.948 14.826 -1.853 1.00 0.00 N ATOM 50 CA THR A 5 46.390 14.440 -1.901 1.00 0.00 C ATOM 51 C THR A 5 47.183 15.464 -2.719 1.00 0.00 C ATOM 52 O THR A 5 46.663 16.077 -3.632 1.00 0.00 O ATOM 53 CB THR A 5 46.412 13.072 -2.587 1.00 0.00 C ATOM 54 OG1 THR A 5 45.595 13.115 -3.749 1.00 0.00 O ATOM 55 CG2 THR A 5 45.880 12.009 -1.625 1.00 0.00 C ATOM 0 H THR A 5 44.363 14.400 -2.571 1.00 0.00 H new ATOM 0 HA THR A 5 46.842 14.405 -0.910 1.00 0.00 H new ATOM 0 HB THR A 5 47.434 12.822 -2.870 1.00 0.00 H new ATOM 0 HG1 THR A 5 45.609 12.241 -4.191 1.00 0.00 H new ATOM 0 HG21 THR A 5 45.896 11.035 -2.114 1.00 0.00 H new ATOM 0 HG22 THR A 5 46.507 11.978 -0.734 1.00 0.00 H new ATOM 0 HG23 THR A 5 44.857 12.255 -1.340 1.00 0.00 H new ATOM 63 N SER A 6 48.438 15.650 -2.395 1.00 0.00 N ATOM 64 CA SER A 6 49.273 16.633 -3.148 1.00 0.00 C ATOM 65 C SER A 6 50.758 16.387 -2.875 1.00 0.00 C ATOM 66 O SER A 6 51.486 15.917 -3.730 1.00 0.00 O ATOM 67 CB SER A 6 48.849 18.002 -2.617 1.00 0.00 C ATOM 68 OG SER A 6 47.584 18.347 -3.166 1.00 0.00 O ATOM 0 H SER A 6 48.920 15.162 -1.640 1.00 0.00 H new ATOM 0 HA SER A 6 49.133 16.553 -4.226 1.00 0.00 H new ATOM 0 HB2 SER A 6 48.793 17.981 -1.529 1.00 0.00 H new ATOM 0 HB3 SER A 6 49.591 18.754 -2.883 1.00 0.00 H new ATOM 0 HG SER A 6 47.295 17.647 -3.787 1.00 0.00 H new ATOM 74 N GLU A 7 51.207 16.705 -1.691 1.00 0.00 N ATOM 75 CA GLU A 7 52.646 16.499 -1.347 1.00 0.00 C ATOM 76 C GLU A 7 52.873 15.071 -0.843 1.00 0.00 C ATOM 77 O GLU A 7 52.776 14.799 0.340 1.00 0.00 O ATOM 78 CB GLU A 7 52.938 17.512 -0.238 1.00 0.00 C ATOM 79 CG GLU A 7 53.208 18.884 -0.858 1.00 0.00 C ATOM 80 CD GLU A 7 54.500 18.832 -1.673 1.00 0.00 C ATOM 81 OE1 GLU A 7 55.466 18.273 -1.180 1.00 0.00 O ATOM 82 OE2 GLU A 7 54.503 19.352 -2.777 1.00 0.00 O ATOM 0 H GLU A 7 50.637 17.100 -0.943 1.00 0.00 H new ATOM 0 HA GLU A 7 53.299 16.638 -2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 7 52.092 17.571 0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 7 53.800 17.189 0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 7 52.375 19.176 -1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 7 53.290 19.638 -0.075 1.00 0.00 H new ATOM 89 N LEU A 8 53.179 14.161 -1.733 1.00 0.00 N ATOM 90 CA LEU A 8 53.420 12.746 -1.316 1.00 0.00 C ATOM 91 C LEU A 8 54.335 12.047 -2.325 1.00 0.00 C ATOM 92 O LEU A 8 54.913 12.677 -3.192 1.00 0.00 O ATOM 93 CB LEU A 8 52.035 12.087 -1.290 1.00 0.00 C ATOM 94 CG LEU A 8 51.370 12.199 -2.670 1.00 0.00 C ATOM 95 CD1 LEU A 8 50.634 10.896 -2.993 1.00 0.00 C ATOM 96 CD2 LEU A 8 50.372 13.359 -2.665 1.00 0.00 C ATOM 0 H LEU A 8 53.273 14.338 -2.733 1.00 0.00 H new ATOM 0 HA LEU A 8 53.912 12.682 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 8 52.128 11.039 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 8 51.410 12.566 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 8 52.135 12.380 -3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 8 50.163 10.977 -3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 8 51.344 10.069 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 8 49.870 10.713 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 8 49.901 13.438 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 8 49.608 13.179 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 8 50.895 14.288 -2.438 1.00 0.00 H new ATOM 108 N LYS A 9 54.468 10.750 -2.219 1.00 0.00 N ATOM 109 CA LYS A 9 55.344 10.000 -3.170 1.00 0.00 C ATOM 110 C LYS A 9 54.994 8.509 -3.153 1.00 0.00 C ATOM 111 O LYS A 9 54.375 8.019 -2.226 1.00 0.00 O ATOM 112 CB LYS A 9 56.776 10.228 -2.669 1.00 0.00 C ATOM 113 CG LYS A 9 56.913 9.742 -1.220 1.00 0.00 C ATOM 114 CD LYS A 9 56.814 10.935 -0.266 1.00 0.00 C ATOM 115 CE LYS A 9 56.118 10.499 1.026 1.00 0.00 C ATOM 116 NZ LYS A 9 56.406 11.587 2.002 1.00 0.00 N ATOM 0 H LYS A 9 54.007 10.176 -1.513 1.00 0.00 H new ATOM 0 HA LYS A 9 55.219 10.341 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 9 57.482 9.696 -3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 9 57.027 11.287 -2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 9 56.131 9.017 -0.994 1.00 0.00 H new ATOM 0 HG3 LYS A 9 57.868 9.234 -1.085 1.00 0.00 H new ATOM 0 HD2 LYS A 9 57.809 11.320 -0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 9 56.257 11.745 -0.736 1.00 0.00 H new ATOM 0 HE2 LYS A 9 55.045 10.377 0.875 1.00 0.00 H new ATOM 0 HE3 LYS A 9 56.501 9.541 1.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 55.962 11.361 2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 57.434 11.675 2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 56.023 12.485 1.643 1.00 0.00 H new ATOM 130 N LYS A 10 55.387 7.788 -4.172 1.00 0.00 N ATOM 131 CA LYS A 10 55.082 6.328 -4.226 1.00 0.00 C ATOM 132 C LYS A 10 56.285 5.522 -3.725 1.00 0.00 C ATOM 133 O LYS A 10 57.232 6.071 -3.196 1.00 0.00 O ATOM 134 CB LYS A 10 54.814 6.035 -5.704 1.00 0.00 C ATOM 135 CG LYS A 10 53.322 6.219 -6.014 1.00 0.00 C ATOM 136 CD LYS A 10 52.904 7.673 -5.754 1.00 0.00 C ATOM 137 CE LYS A 10 53.678 8.611 -6.687 1.00 0.00 C ATOM 138 NZ LYS A 10 52.662 9.575 -7.195 1.00 0.00 N ATOM 0 H LYS A 10 55.908 8.150 -4.971 1.00 0.00 H new ATOM 0 HA LYS A 10 54.233 6.056 -3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.408 6.701 -6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 10 55.120 5.017 -5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 10 53.123 5.956 -7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 10 52.728 5.546 -5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 10 51.832 7.787 -5.916 1.00 0.00 H new ATOM 0 HD3 LYS A 10 53.099 7.937 -4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 10 54.478 9.125 -6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 10 54.142 8.060 -7.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 53.117 10.251 -7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 51.916 9.058 -7.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 52.242 10.090 -6.395 1.00 0.00 H new ATOM 152 N VAL A 11 56.252 4.225 -3.893 1.00 0.00 N ATOM 153 CA VAL A 11 57.392 3.367 -3.434 1.00 0.00 C ATOM 154 C VAL A 11 57.434 2.081 -4.254 1.00 0.00 C ATOM 155 O VAL A 11 56.443 1.667 -4.820 1.00 0.00 O ATOM 156 CB VAL A 11 57.135 3.045 -1.953 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.361 4.300 -1.109 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.702 2.538 -1.756 1.00 0.00 C ATOM 0 H VAL A 11 55.482 3.719 -4.330 1.00 0.00 H new ATOM 0 HA VAL A 11 58.347 3.876 -3.561 1.00 0.00 H new ATOM 0 HB VAL A 11 57.827 2.264 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.178 4.070 -0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.389 4.641 -1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.677 5.084 -1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.537 2.315 -0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 11 54.997 3.304 -2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.551 1.634 -2.346 1.00 0.00 H new ATOM 168 N VAL A 12 58.573 1.449 -4.318 1.00 0.00 N ATOM 169 CA VAL A 12 58.702 0.189 -5.102 1.00 0.00 C ATOM 170 C VAL A 12 58.633 -1.006 -4.125 1.00 0.00 C ATOM 171 O VAL A 12 58.523 -0.826 -2.929 1.00 0.00 O ATOM 172 CB VAL A 12 60.088 0.346 -5.793 1.00 0.00 C ATOM 173 CG1 VAL A 12 60.895 -0.956 -5.844 1.00 0.00 C ATOM 174 CG2 VAL A 12 59.888 0.824 -7.224 1.00 0.00 C ATOM 0 H VAL A 12 59.429 1.755 -3.855 1.00 0.00 H new ATOM 0 HA VAL A 12 57.919 0.010 -5.839 1.00 0.00 H new ATOM 0 HB VAL A 12 60.648 1.065 -5.195 1.00 0.00 H new ATOM 0 HG11 VAL A 12 61.849 -0.774 -6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.074 -1.313 -4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.336 -1.709 -6.400 1.00 0.00 H new ATOM 0 HG21 VAL A 12 60.858 0.935 -7.710 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.289 0.095 -7.771 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.374 1.785 -7.218 1.00 0.00 H new ATOM 184 N ALA A 13 58.716 -2.210 -4.629 1.00 0.00 N ATOM 185 CA ALA A 13 58.683 -3.413 -3.744 1.00 0.00 C ATOM 186 C ALA A 13 60.007 -4.175 -3.875 1.00 0.00 C ATOM 187 O ALA A 13 60.563 -4.275 -4.953 1.00 0.00 O ATOM 188 CB ALA A 13 57.521 -4.258 -4.263 1.00 0.00 C ATOM 0 H ALA A 13 58.806 -2.413 -5.625 1.00 0.00 H new ATOM 0 HA ALA A 13 58.554 -3.160 -2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.432 -5.163 -3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.596 -3.685 -4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.705 -4.530 -5.302 1.00 0.00 H new ATOM 194 N LEU A 14 60.521 -4.700 -2.790 1.00 0.00 N ATOM 195 CA LEU A 14 61.818 -5.443 -2.860 1.00 0.00 C ATOM 196 C LEU A 14 61.595 -6.949 -2.712 1.00 0.00 C ATOM 197 O LEU A 14 62.167 -7.742 -3.437 1.00 0.00 O ATOM 198 CB LEU A 14 62.652 -4.911 -1.692 1.00 0.00 C ATOM 199 CG LEU A 14 62.872 -3.407 -1.859 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.307 -2.802 -0.523 1.00 0.00 C ATOM 201 CD2 LEU A 14 63.962 -3.166 -2.905 1.00 0.00 C ATOM 0 H LEU A 14 60.101 -4.647 -1.862 1.00 0.00 H new ATOM 0 HA LEU A 14 62.313 -5.294 -3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.144 -5.111 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.612 -5.427 -1.653 1.00 0.00 H new ATOM 0 HG LEU A 14 61.943 -2.938 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.464 -1.730 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 14 62.532 -2.974 0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.236 -3.270 -0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.120 -2.094 -3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 14 64.890 -3.635 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.654 -3.596 -3.858 1.00 0.00 H new ATOM 213 N TYR A 15 60.777 -7.347 -1.775 1.00 0.00 N ATOM 214 CA TYR A 15 60.521 -8.806 -1.571 1.00 0.00 C ATOM 215 C TYR A 15 59.017 -9.092 -1.557 1.00 0.00 C ATOM 216 O TYR A 15 58.203 -8.190 -1.571 1.00 0.00 O ATOM 217 CB TYR A 15 61.139 -9.138 -0.211 1.00 0.00 C ATOM 218 CG TYR A 15 62.622 -8.855 -0.242 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.458 -9.586 -1.096 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.163 -7.862 0.584 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.833 -9.323 -1.124 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.537 -7.599 0.556 1.00 0.00 C ATOM 223 CZ TYR A 15 65.373 -8.329 -0.298 1.00 0.00 C ATOM 224 OH TYR A 15 66.728 -8.070 -0.326 1.00 0.00 O ATOM 0 H TYR A 15 60.274 -6.726 -1.141 1.00 0.00 H new ATOM 0 HA TYR A 15 60.950 -9.408 -2.372 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.662 -8.546 0.570 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.964 -10.186 0.032 1.00 0.00 H new ATOM 0 HD1 TYR A 15 63.042 -10.353 -1.733 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.519 -7.299 1.243 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.477 -9.887 -1.783 1.00 0.00 H new ATOM 0 HE2 TYR A 15 64.953 -6.833 1.193 1.00 0.00 H new ATOM 0 HH TYR A 15 66.937 -7.351 0.306 1.00 0.00 H new ATOM 234 N ASP A 16 58.653 -10.348 -1.534 1.00 0.00 N ATOM 235 CA ASP A 16 57.205 -10.719 -1.523 1.00 0.00 C ATOM 236 C ASP A 16 56.613 -10.557 -0.119 1.00 0.00 C ATOM 237 O ASP A 16 57.249 -10.863 0.872 1.00 0.00 O ATOM 238 CB ASP A 16 57.165 -12.185 -1.955 1.00 0.00 C ATOM 239 CG ASP A 16 57.310 -12.274 -3.476 1.00 0.00 C ATOM 240 OD1 ASP A 16 56.756 -11.424 -4.154 1.00 0.00 O ATOM 241 OD2 ASP A 16 57.972 -13.190 -3.936 1.00 0.00 O ATOM 0 H ASP A 16 59.299 -11.137 -1.522 1.00 0.00 H new ATOM 0 HA ASP A 16 56.618 -10.081 -2.184 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.968 -12.740 -1.470 1.00 0.00 H new ATOM 0 HB3 ASP A 16 56.226 -12.642 -1.641 1.00 0.00 H new ATOM 246 N TYR A 17 55.394 -10.085 -0.034 1.00 0.00 N ATOM 247 CA TYR A 17 54.741 -9.901 1.294 1.00 0.00 C ATOM 248 C TYR A 17 53.217 -9.944 1.116 1.00 0.00 C ATOM 249 O TYR A 17 52.624 -9.034 0.570 1.00 0.00 O ATOM 250 CB TYR A 17 55.215 -8.523 1.775 1.00 0.00 C ATOM 251 CG TYR A 17 54.500 -8.134 3.051 1.00 0.00 C ATOM 252 CD1 TYR A 17 53.239 -7.530 2.988 1.00 0.00 C ATOM 253 CD2 TYR A 17 55.100 -8.374 4.293 1.00 0.00 C ATOM 254 CE1 TYR A 17 52.576 -7.167 4.166 1.00 0.00 C ATOM 255 CE2 TYR A 17 54.435 -8.012 5.472 1.00 0.00 C ATOM 256 CZ TYR A 17 53.174 -7.408 5.407 1.00 0.00 C ATOM 257 OH TYR A 17 52.521 -7.050 6.569 1.00 0.00 O ATOM 0 H TYR A 17 54.821 -9.818 -0.835 1.00 0.00 H new ATOM 0 HA TYR A 17 54.997 -10.678 2.015 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.292 -8.541 1.945 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.026 -7.777 1.003 1.00 0.00 H new ATOM 0 HD1 TYR A 17 52.777 -7.344 2.030 1.00 0.00 H new ATOM 0 HD2 TYR A 17 56.074 -8.838 4.342 1.00 0.00 H new ATOM 0 HE1 TYR A 17 51.603 -6.701 4.117 1.00 0.00 H new ATOM 0 HE2 TYR A 17 54.895 -8.199 6.431 1.00 0.00 H new ATOM 0 HH TYR A 17 51.905 -6.310 6.384 1.00 0.00 H new ATOM 267 N MET A 18 52.590 -11.000 1.567 1.00 0.00 N ATOM 268 CA MET A 18 51.107 -11.114 1.420 1.00 0.00 C ATOM 269 C MET A 18 50.404 -10.764 2.745 1.00 0.00 C ATOM 270 O MET A 18 51.046 -10.708 3.776 1.00 0.00 O ATOM 271 CB MET A 18 50.849 -12.575 1.030 1.00 0.00 C ATOM 272 CG MET A 18 51.383 -13.515 2.117 1.00 0.00 C ATOM 273 SD MET A 18 50.621 -15.146 1.929 1.00 0.00 S ATOM 274 CE MET A 18 50.022 -15.314 3.629 1.00 0.00 C ATOM 0 H MET A 18 53.041 -11.789 2.031 1.00 0.00 H new ATOM 0 HA MET A 18 50.716 -10.425 0.672 1.00 0.00 H new ATOM 0 HB2 MET A 18 49.780 -12.739 0.890 1.00 0.00 H new ATOM 0 HB3 MET A 18 51.332 -12.796 0.078 1.00 0.00 H new ATOM 0 HG2 MET A 18 52.467 -13.597 2.042 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.162 -13.110 3.104 1.00 0.00 H new ATOM 0 HE1 MET A 18 49.802 -16.361 3.835 1.00 0.00 H new ATOM 0 HE2 MET A 18 50.787 -14.961 4.321 1.00 0.00 H new ATOM 0 HE3 MET A 18 49.116 -14.721 3.756 1.00 0.00 H new ATOM 284 N PRO A 19 49.104 -10.527 2.687 1.00 0.00 N ATOM 285 CA PRO A 19 48.347 -10.170 3.910 1.00 0.00 C ATOM 286 C PRO A 19 48.236 -11.375 4.849 1.00 0.00 C ATOM 287 O PRO A 19 48.109 -12.504 4.413 1.00 0.00 O ATOM 288 CB PRO A 19 46.973 -9.777 3.350 1.00 0.00 C ATOM 289 CG PRO A 19 47.004 -9.931 1.818 1.00 0.00 C ATOM 290 CD PRO A 19 48.322 -10.593 1.421 1.00 0.00 C ATOM 0 HA PRO A 19 48.814 -9.381 4.500 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.195 -10.409 3.778 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.734 -8.749 3.622 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.161 -10.535 1.481 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.910 -8.957 1.338 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.177 -11.620 1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.817 -10.060 0.609 1.00 0.00 H new ATOM 298 N MET A 20 48.277 -11.137 6.135 1.00 0.00 N ATOM 299 CA MET A 20 48.168 -12.258 7.115 1.00 0.00 C ATOM 300 C MET A 20 46.720 -12.388 7.590 1.00 0.00 C ATOM 301 O MET A 20 46.147 -13.460 7.583 1.00 0.00 O ATOM 302 CB MET A 20 49.076 -11.860 8.282 1.00 0.00 C ATOM 303 CG MET A 20 50.517 -11.709 7.788 1.00 0.00 C ATOM 304 SD MET A 20 51.378 -13.295 7.935 1.00 0.00 S ATOM 305 CE MET A 20 53.052 -12.670 7.654 1.00 0.00 C ATOM 0 H MET A 20 48.382 -10.211 6.549 1.00 0.00 H new ATOM 0 HA MET A 20 48.459 -13.216 6.684 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.732 -10.923 8.720 1.00 0.00 H new ATOM 0 HB3 MET A 20 49.028 -12.615 9.067 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.523 -11.375 6.750 1.00 0.00 H new ATOM 0 HG3 MET A 20 51.034 -10.947 8.371 1.00 0.00 H new ATOM 0 HE1 MET A 20 53.762 -13.496 7.702 1.00 0.00 H new ATOM 0 HE2 MET A 20 53.105 -12.202 6.671 1.00 0.00 H new ATOM 0 HE3 MET A 20 53.299 -11.935 8.420 1.00 0.00 H new ATOM 315 N ASN A 21 46.130 -11.295 7.999 1.00 0.00 N ATOM 316 CA ASN A 21 44.716 -11.331 8.476 1.00 0.00 C ATOM 317 C ASN A 21 43.843 -10.423 7.608 1.00 0.00 C ATOM 318 O ASN A 21 42.872 -10.856 7.019 1.00 0.00 O ATOM 319 CB ASN A 21 44.768 -10.812 9.913 1.00 0.00 C ATOM 320 CG ASN A 21 43.753 -11.572 10.769 1.00 0.00 C ATOM 321 OD1 ASN A 21 44.024 -12.664 11.226 1.00 0.00 O ATOM 322 ND2 ASN A 21 42.587 -11.036 11.004 1.00 0.00 N ATOM 0 H ASN A 21 46.569 -10.375 8.023 1.00 0.00 H new ATOM 0 HA ASN A 21 44.287 -12.331 8.421 1.00 0.00 H new ATOM 0 HB2 ASN A 21 45.771 -10.940 10.321 1.00 0.00 H new ATOM 0 HB3 ASN A 21 44.549 -9.744 9.933 1.00 0.00 H new ATOM 0 HD21 ASN A 21 41.902 -11.534 11.572 1.00 0.00 H new ATOM 0 HD22 ASN A 21 42.361 -10.119 10.620 1.00 0.00 H new ATOM 329 N ALA A 22 44.188 -9.165 7.530 1.00 0.00 N ATOM 330 CA ALA A 22 43.389 -8.208 6.702 1.00 0.00 C ATOM 331 C ALA A 22 44.127 -6.875 6.567 1.00 0.00 C ATOM 332 O ALA A 22 44.141 -6.266 5.514 1.00 0.00 O ATOM 333 CB ALA A 22 42.077 -8.017 7.466 1.00 0.00 C ATOM 0 H ALA A 22 44.992 -8.755 8.005 1.00 0.00 H new ATOM 0 HA ALA A 22 43.222 -8.582 5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.435 -7.326 6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.572 -8.978 7.568 1.00 0.00 H new ATOM 0 HB3 ALA A 22 42.288 -7.612 8.456 1.00 0.00 H new ATOM 339 N ASN A 23 44.738 -6.420 7.629 1.00 0.00 N ATOM 340 CA ASN A 23 45.480 -5.122 7.579 1.00 0.00 C ATOM 341 C ASN A 23 46.591 -5.157 6.544 1.00 0.00 C ATOM 342 O ASN A 23 46.639 -4.350 5.638 1.00 0.00 O ATOM 343 CB ASN A 23 46.112 -4.957 8.954 1.00 0.00 C ATOM 344 CG ASN A 23 45.176 -4.161 9.864 1.00 0.00 C ATOM 345 OD1 ASN A 23 45.589 -3.210 10.498 1.00 0.00 O ATOM 346 ND2 ASN A 23 43.922 -4.511 9.958 1.00 0.00 N ATOM 0 H ASN A 23 44.756 -6.892 8.533 1.00 0.00 H new ATOM 0 HA ASN A 23 44.804 -4.309 7.314 1.00 0.00 H new ATOM 0 HB2 ASN A 23 46.314 -5.935 9.391 1.00 0.00 H new ATOM 0 HB3 ASN A 23 47.070 -4.444 8.865 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.290 -3.987 10.563 1.00 0.00 H new ATOM 0 HD22 ASN A 23 43.574 -5.309 9.426 1.00 0.00 H new ATOM 353 N ASP A 24 47.513 -6.062 6.719 1.00 0.00 N ATOM 354 CA ASP A 24 48.688 -6.153 5.801 1.00 0.00 C ATOM 355 C ASP A 24 48.282 -6.061 4.320 1.00 0.00 C ATOM 356 O ASP A 24 47.251 -6.563 3.913 1.00 0.00 O ATOM 357 CB ASP A 24 49.318 -7.515 6.098 1.00 0.00 C ATOM 358 CG ASP A 24 49.970 -7.487 7.482 1.00 0.00 C ATOM 359 OD1 ASP A 24 50.478 -6.442 7.856 1.00 0.00 O ATOM 360 OD2 ASP A 24 49.948 -8.510 8.146 1.00 0.00 O ATOM 0 H ASP A 24 47.504 -6.753 7.469 1.00 0.00 H new ATOM 0 HA ASP A 24 49.376 -5.324 5.967 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.558 -8.295 6.059 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.062 -7.756 5.339 1.00 0.00 H new ATOM 365 N LEU A 25 49.095 -5.416 3.521 1.00 0.00 N ATOM 366 CA LEU A 25 48.782 -5.274 2.070 1.00 0.00 C ATOM 367 C LEU A 25 49.520 -6.358 1.275 1.00 0.00 C ATOM 368 O LEU A 25 50.626 -6.737 1.611 1.00 0.00 O ATOM 369 CB LEU A 25 49.291 -3.876 1.689 1.00 0.00 C ATOM 370 CG LEU A 25 48.826 -3.531 0.267 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.453 -2.852 0.316 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.833 -2.582 -0.392 1.00 0.00 C ATOM 0 H LEU A 25 49.968 -4.979 3.816 1.00 0.00 H new ATOM 0 HA LEU A 25 47.719 -5.386 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.915 -3.136 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.379 -3.846 1.744 1.00 0.00 H new ATOM 0 HG LEU A 25 48.756 -4.451 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.130 -2.610 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.730 -3.526 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.521 -1.936 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.499 -2.340 -1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.908 -1.666 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.810 -3.064 -0.439 1.00 0.00 H new ATOM 384 N GLN A 26 48.914 -6.862 0.229 1.00 0.00 N ATOM 385 CA GLN A 26 49.578 -7.926 -0.587 1.00 0.00 C ATOM 386 C GLN A 26 50.600 -7.305 -1.536 1.00 0.00 C ATOM 387 O GLN A 26 50.278 -6.906 -2.640 1.00 0.00 O ATOM 388 CB GLN A 26 48.448 -8.595 -1.370 1.00 0.00 C ATOM 389 CG GLN A 26 48.966 -9.884 -2.014 1.00 0.00 C ATOM 390 CD GLN A 26 47.787 -10.702 -2.542 1.00 0.00 C ATOM 391 OE1 GLN A 26 46.682 -10.585 -2.050 1.00 0.00 O ATOM 392 NE2 GLN A 26 47.976 -11.531 -3.532 1.00 0.00 N ATOM 0 H GLN A 26 47.988 -6.583 -0.096 1.00 0.00 H new ATOM 0 HA GLN A 26 50.118 -8.642 0.032 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.613 -8.818 -0.705 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.073 -7.918 -2.137 1.00 0.00 H new ATOM 0 HG2 GLN A 26 49.651 -9.646 -2.828 1.00 0.00 H new ATOM 0 HG3 GLN A 26 49.528 -10.467 -1.284 1.00 0.00 H new ATOM 0 HE21 GLN A 26 48.903 -11.629 -3.945 1.00 0.00 H new ATOM 0 HE22 GLN A 26 47.196 -12.081 -3.893 1.00 0.00 H new ATOM 401 N LEU A 27 51.828 -7.223 -1.105 1.00 0.00 N ATOM 402 CA LEU A 27 52.893 -6.630 -1.956 1.00 0.00 C ATOM 403 C LEU A 27 53.625 -7.726 -2.741 1.00 0.00 C ATOM 404 O LEU A 27 53.200 -8.864 -2.790 1.00 0.00 O ATOM 405 CB LEU A 27 53.836 -5.951 -0.963 1.00 0.00 C ATOM 406 CG LEU A 27 53.267 -4.584 -0.575 1.00 0.00 C ATOM 407 CD1 LEU A 27 52.478 -4.713 0.728 1.00 0.00 C ATOM 408 CD2 LEU A 27 54.412 -3.588 -0.381 1.00 0.00 C ATOM 0 H LEU A 27 52.141 -7.546 -0.189 1.00 0.00 H new ATOM 0 HA LEU A 27 52.500 -5.933 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 27 53.956 -6.572 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 27 54.825 -5.833 -1.406 1.00 0.00 H new ATOM 0 HG LEU A 27 52.608 -4.228 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.072 -3.740 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 27 51.661 -5.421 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 27 53.138 -5.070 1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.005 -2.615 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.073 -3.943 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 27 54.975 -3.495 -1.310 1.00 0.00 H new ATOM 420 N ARG A 28 54.722 -7.377 -3.356 1.00 0.00 N ATOM 421 CA ARG A 28 55.510 -8.365 -4.149 1.00 0.00 C ATOM 422 C ARG A 28 56.909 -7.798 -4.409 1.00 0.00 C ATOM 423 O ARG A 28 57.374 -6.938 -3.685 1.00 0.00 O ATOM 424 CB ARG A 28 54.726 -8.561 -5.452 1.00 0.00 C ATOM 425 CG ARG A 28 54.566 -7.225 -6.183 1.00 0.00 C ATOM 426 CD ARG A 28 53.199 -6.614 -5.856 1.00 0.00 C ATOM 427 NE ARG A 28 52.373 -6.839 -7.075 1.00 0.00 N ATOM 428 CZ ARG A 28 51.230 -7.460 -6.984 1.00 0.00 C ATOM 429 NH1 ARG A 28 51.195 -8.712 -6.618 1.00 0.00 N ATOM 430 NH2 ARG A 28 50.120 -6.829 -7.259 1.00 0.00 N ATOM 0 H ARG A 28 55.112 -6.435 -3.343 1.00 0.00 H new ATOM 0 HA ARG A 28 55.643 -9.317 -3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 28 55.245 -9.274 -6.093 1.00 0.00 H new ATOM 0 HB3 ARG A 28 53.745 -8.984 -5.234 1.00 0.00 H new ATOM 0 HG2 ARG A 28 55.361 -6.540 -5.886 1.00 0.00 H new ATOM 0 HG3 ARG A 28 54.659 -7.375 -7.259 1.00 0.00 H new ATOM 0 HD2 ARG A 28 52.752 -7.091 -4.983 1.00 0.00 H new ATOM 0 HD3 ARG A 28 53.286 -5.551 -5.629 1.00 0.00 H new ATOM 0 HE ARG A 28 52.702 -6.507 -7.982 1.00 0.00 H new ATOM 0 HH11 ARG A 28 52.062 -9.205 -6.403 1.00 0.00 H new ATOM 0 HH12 ARG A 28 50.301 -9.198 -6.547 1.00 0.00 H new ATOM 0 HH21 ARG A 28 50.147 -5.850 -7.545 1.00 0.00 H new ATOM 0 HH22 ARG A 28 49.226 -7.315 -7.188 1.00 0.00 H new ATOM 444 N LYS A 29 57.587 -8.273 -5.422 1.00 0.00 N ATOM 445 CA LYS A 29 58.958 -7.760 -5.707 1.00 0.00 C ATOM 446 C LYS A 29 59.029 -7.100 -7.089 1.00 0.00 C ATOM 447 O LYS A 29 58.659 -7.680 -8.091 1.00 0.00 O ATOM 448 CB LYS A 29 59.865 -8.992 -5.628 1.00 0.00 C ATOM 449 CG LYS A 29 61.319 -8.590 -5.902 1.00 0.00 C ATOM 450 CD LYS A 29 61.667 -8.887 -7.364 1.00 0.00 C ATOM 451 CE LYS A 29 61.730 -10.402 -7.578 1.00 0.00 C ATOM 452 NZ LYS A 29 61.039 -10.636 -8.877 1.00 0.00 N ATOM 0 H LYS A 29 57.250 -8.992 -6.062 1.00 0.00 H new ATOM 0 HA LYS A 29 59.260 -6.988 -4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 29 59.785 -9.450 -4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.542 -9.739 -6.354 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.460 -7.530 -5.692 1.00 0.00 H new ATOM 0 HG3 LYS A 29 61.989 -9.138 -5.240 1.00 0.00 H new ATOM 0 HD2 LYS A 29 60.919 -8.447 -8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 29 62.624 -8.433 -7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 29 62.761 -10.754 -7.610 1.00 0.00 H new ATOM 0 HE3 LYS A 29 61.236 -10.936 -6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 61.041 -11.653 -9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 60.058 -10.298 -8.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 61.535 -10.121 -9.632 1.00 0.00 H new ATOM 466 N GLY A 30 59.510 -5.881 -7.132 1.00 0.00 N ATOM 467 CA GLY A 30 59.622 -5.147 -8.428 1.00 0.00 C ATOM 468 C GLY A 30 58.393 -4.264 -8.630 1.00 0.00 C ATOM 469 O GLY A 30 58.463 -3.236 -9.277 1.00 0.00 O ATOM 0 H GLY A 30 59.832 -5.360 -6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.525 -4.536 -8.434 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.711 -5.856 -9.251 1.00 0.00 H new ATOM 473 N ASP A 31 57.271 -4.647 -8.073 1.00 0.00 N ATOM 474 CA ASP A 31 56.046 -3.815 -8.225 1.00 0.00 C ATOM 475 C ASP A 31 56.194 -2.563 -7.368 1.00 0.00 C ATOM 476 O ASP A 31 57.168 -2.415 -6.660 1.00 0.00 O ATOM 477 CB ASP A 31 54.893 -4.688 -7.729 1.00 0.00 C ATOM 478 CG ASP A 31 53.560 -4.091 -8.186 1.00 0.00 C ATOM 479 OD1 ASP A 31 53.253 -4.209 -9.360 1.00 0.00 O ATOM 480 OD2 ASP A 31 52.871 -3.526 -7.353 1.00 0.00 O ATOM 0 H ASP A 31 57.154 -5.497 -7.522 1.00 0.00 H new ATOM 0 HA ASP A 31 55.874 -3.494 -9.252 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.000 -5.702 -8.115 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.918 -4.757 -6.641 1.00 0.00 H new ATOM 485 N GLU A 32 55.254 -1.660 -7.425 1.00 0.00 N ATOM 486 CA GLU A 32 55.370 -0.415 -6.605 1.00 0.00 C ATOM 487 C GLU A 32 53.993 -0.063 -6.042 1.00 0.00 C ATOM 488 O GLU A 32 52.987 -0.585 -6.487 1.00 0.00 O ATOM 489 CB GLU A 32 55.887 0.670 -7.561 1.00 0.00 C ATOM 490 CG GLU A 32 57.029 0.124 -8.434 1.00 0.00 C ATOM 491 CD GLU A 32 57.606 1.243 -9.309 1.00 0.00 C ATOM 492 OE1 GLU A 32 56.890 2.196 -9.575 1.00 0.00 O ATOM 493 OE2 GLU A 32 58.754 1.124 -9.703 1.00 0.00 O ATOM 0 H GLU A 32 54.414 -1.727 -8.000 1.00 0.00 H new ATOM 0 HA GLU A 32 56.047 -0.525 -5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.073 1.021 -8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.238 1.529 -6.989 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.812 -0.294 -7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 32 56.661 -0.686 -9.063 1.00 0.00 H new ATOM 500 N TYR A 33 53.936 0.774 -5.036 1.00 0.00 N ATOM 501 CA TYR A 33 52.621 1.100 -4.415 1.00 0.00 C ATOM 502 C TYR A 33 52.452 2.604 -4.205 1.00 0.00 C ATOM 503 O TYR A 33 53.237 3.410 -4.665 1.00 0.00 O ATOM 504 CB TYR A 33 52.647 0.403 -3.047 1.00 0.00 C ATOM 505 CG TYR A 33 53.208 -0.996 -3.171 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.376 -2.058 -3.533 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.571 -1.215 -2.946 1.00 0.00 C ATOM 508 CE1 TYR A 33 52.907 -3.344 -3.666 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.103 -2.497 -3.085 1.00 0.00 C ATOM 510 CZ TYR A 33 54.271 -3.562 -3.444 1.00 0.00 C ATOM 511 OH TYR A 33 54.798 -4.823 -3.592 1.00 0.00 O ATOM 0 H TYR A 33 54.741 1.243 -4.621 1.00 0.00 H new ATOM 0 HA TYR A 33 51.799 0.775 -5.053 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.252 0.982 -2.349 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.639 0.361 -2.635 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.325 -1.886 -3.710 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.211 -0.392 -2.665 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.265 -4.168 -3.940 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.156 -2.667 -2.916 1.00 0.00 H new ATOM 0 HH TYR A 33 54.992 -4.987 -4.538 1.00 0.00 H new ATOM 521 N PHE A 34 51.425 2.966 -3.484 1.00 0.00 N ATOM 522 CA PHE A 34 51.161 4.404 -3.188 1.00 0.00 C ATOM 523 C PHE A 34 51.185 4.623 -1.676 1.00 0.00 C ATOM 524 O PHE A 34 50.501 3.943 -0.938 1.00 0.00 O ATOM 525 CB PHE A 34 49.768 4.677 -3.745 1.00 0.00 C ATOM 526 CG PHE A 34 49.884 5.154 -5.173 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.333 4.278 -6.169 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.547 6.473 -5.499 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.444 4.722 -7.492 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.659 6.916 -6.823 1.00 0.00 C ATOM 531 CZ PHE A 34 50.107 6.041 -7.819 1.00 0.00 C ATOM 0 H PHE A 34 50.748 2.317 -3.082 1.00 0.00 H new ATOM 0 HA PHE A 34 51.906 5.067 -3.628 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.163 3.772 -3.700 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.263 5.429 -3.139 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.593 3.261 -5.917 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.201 7.148 -4.730 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.790 4.047 -8.261 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.399 7.934 -7.075 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.193 6.383 -8.840 1.00 0.00 H new ATOM 541 N ILE A 35 51.975 5.556 -1.212 1.00 0.00 N ATOM 542 CA ILE A 35 52.059 5.800 0.260 1.00 0.00 C ATOM 543 C ILE A 35 51.095 6.904 0.700 1.00 0.00 C ATOM 544 O ILE A 35 51.089 7.997 0.166 1.00 0.00 O ATOM 545 CB ILE A 35 53.510 6.219 0.521 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.478 5.124 0.039 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.720 6.454 2.020 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.175 3.794 0.740 1.00 0.00 C ATOM 0 H ILE A 35 52.564 6.158 -1.786 1.00 0.00 H new ATOM 0 HA ILE A 35 51.780 4.910 0.824 1.00 0.00 H new ATOM 0 HB ILE A 35 53.710 7.140 -0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.390 5.001 -1.040 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.506 5.424 0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.753 6.752 2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 35 53.050 7.243 2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.507 5.535 2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.869 3.031 0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.287 3.917 1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.153 3.488 0.514 1.00 0.00 H new ATOM 560 N LEU A 36 50.295 6.616 1.691 1.00 0.00 N ATOM 561 CA LEU A 36 49.331 7.625 2.215 1.00 0.00 C ATOM 562 C LEU A 36 49.712 8.009 3.650 1.00 0.00 C ATOM 563 O LEU A 36 49.412 9.094 4.110 1.00 0.00 O ATOM 564 CB LEU A 36 47.971 6.927 2.192 1.00 0.00 C ATOM 565 CG LEU A 36 47.482 6.806 0.749 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.914 5.457 0.176 1.00 0.00 C ATOM 567 CD2 LEU A 36 45.955 6.904 0.721 1.00 0.00 C ATOM 0 H LEU A 36 50.269 5.713 2.165 1.00 0.00 H new ATOM 0 HA LEU A 36 49.325 8.541 1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.051 5.938 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.251 7.491 2.785 1.00 0.00 H new ATOM 0 HG LEU A 36 47.911 7.610 0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.565 5.370 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 36 49.001 5.384 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.484 4.653 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.604 6.818 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.528 6.099 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.644 7.865 1.131 1.00 0.00 H new ATOM 579 N GLU A 37 50.371 7.122 4.358 1.00 0.00 N ATOM 580 CA GLU A 37 50.774 7.422 5.762 1.00 0.00 C ATOM 581 C GLU A 37 52.275 7.722 5.830 1.00 0.00 C ATOM 582 O GLU A 37 52.944 7.830 4.822 1.00 0.00 O ATOM 583 CB GLU A 37 50.445 6.153 6.548 1.00 0.00 C ATOM 584 CG GLU A 37 50.005 6.530 7.965 1.00 0.00 C ATOM 585 CD GLU A 37 48.991 5.503 8.474 1.00 0.00 C ATOM 586 OE1 GLU A 37 47.878 5.503 7.976 1.00 0.00 O ATOM 587 OE2 GLU A 37 49.347 4.735 9.353 1.00 0.00 O ATOM 0 H GLU A 37 50.646 6.200 4.019 1.00 0.00 H new ATOM 0 HA GLU A 37 50.258 8.295 6.162 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.654 5.596 6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 37 51.317 5.501 6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 37 50.869 6.564 8.629 1.00 0.00 H new ATOM 0 HG3 GLU A 37 49.562 7.526 7.967 1.00 0.00 H new ATOM 594 N GLU A 38 52.802 7.855 7.023 1.00 0.00 N ATOM 595 CA GLU A 38 54.255 8.150 7.207 1.00 0.00 C ATOM 596 C GLU A 38 54.529 8.231 8.703 1.00 0.00 C ATOM 597 O GLU A 38 55.245 9.093 9.175 1.00 0.00 O ATOM 598 CB GLU A 38 54.513 9.509 6.537 1.00 0.00 C ATOM 599 CG GLU A 38 53.570 10.573 7.115 1.00 0.00 C ATOM 600 CD GLU A 38 54.298 11.917 7.188 1.00 0.00 C ATOM 601 OE1 GLU A 38 54.961 12.262 6.225 1.00 0.00 O ATOM 602 OE2 GLU A 38 54.179 12.577 8.207 1.00 0.00 O ATOM 0 H GLU A 38 52.275 7.770 7.892 1.00 0.00 H new ATOM 0 HA GLU A 38 54.899 7.387 6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 38 55.550 9.808 6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 38 54.363 9.426 5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 38 52.681 10.663 6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 38 53.234 10.275 8.108 1.00 0.00 H new ATOM 609 N SER A 39 53.932 7.341 9.447 1.00 0.00 N ATOM 610 CA SER A 39 54.108 7.338 10.928 1.00 0.00 C ATOM 611 C SER A 39 55.585 7.221 11.295 1.00 0.00 C ATOM 612 O SER A 39 56.456 7.361 10.458 1.00 0.00 O ATOM 613 CB SER A 39 53.342 6.107 11.409 1.00 0.00 C ATOM 614 OG SER A 39 51.961 6.267 11.115 1.00 0.00 O ATOM 0 H SER A 39 53.322 6.607 9.088 1.00 0.00 H new ATOM 0 HA SER A 39 53.744 8.258 11.385 1.00 0.00 H new ATOM 0 HB2 SER A 39 53.728 5.211 10.922 1.00 0.00 H new ATOM 0 HB3 SER A 39 53.484 5.973 12.481 1.00 0.00 H new ATOM 0 HG SER A 39 51.468 5.477 11.421 1.00 0.00 H new ATOM 620 N ASN A 40 55.866 6.954 12.541 1.00 0.00 N ATOM 621 CA ASN A 40 57.283 6.817 12.975 1.00 0.00 C ATOM 622 C ASN A 40 57.715 5.351 12.914 1.00 0.00 C ATOM 623 O ASN A 40 58.628 4.944 13.609 1.00 0.00 O ATOM 624 CB ASN A 40 57.306 7.324 14.418 1.00 0.00 C ATOM 625 CG ASN A 40 57.582 8.828 14.426 1.00 0.00 C ATOM 626 OD1 ASN A 40 56.670 9.625 14.523 1.00 0.00 O ATOM 627 ND2 ASN A 40 58.812 9.254 14.328 1.00 0.00 N ATOM 0 H ASN A 40 55.173 6.825 13.278 1.00 0.00 H new ATOM 0 HA ASN A 40 57.967 7.376 12.336 1.00 0.00 H new ATOM 0 HB2 ASN A 40 56.352 7.116 14.903 1.00 0.00 H new ATOM 0 HB3 ASN A 40 58.074 6.800 14.987 1.00 0.00 H new ATOM 0 HD21 ASN A 40 59.007 10.255 14.333 1.00 0.00 H new ATOM 0 HD22 ASN A 40 59.578 8.586 14.247 1.00 0.00 H new ATOM 634 N LEU A 41 57.075 4.550 12.089 1.00 0.00 N ATOM 635 CA LEU A 41 57.476 3.110 12.001 1.00 0.00 C ATOM 636 C LEU A 41 57.607 2.663 10.534 1.00 0.00 C ATOM 637 O LEU A 41 57.054 3.291 9.654 1.00 0.00 O ATOM 638 CB LEU A 41 56.378 2.315 12.713 1.00 0.00 C ATOM 639 CG LEU A 41 55.013 2.615 12.084 1.00 0.00 C ATOM 640 CD1 LEU A 41 54.165 1.342 12.077 1.00 0.00 C ATOM 641 CD2 LEU A 41 54.300 3.689 12.906 1.00 0.00 C ATOM 0 H LEU A 41 56.304 4.828 11.482 1.00 0.00 H new ATOM 0 HA LEU A 41 58.448 2.946 12.465 1.00 0.00 H new ATOM 0 HB2 LEU A 41 56.590 1.248 12.646 1.00 0.00 H new ATOM 0 HB3 LEU A 41 56.362 2.571 13.772 1.00 0.00 H new ATOM 0 HG LEU A 41 55.154 2.968 11.062 1.00 0.00 H new ATOM 0 HD11 LEU A 41 53.194 1.554 11.630 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.671 0.571 11.496 1.00 0.00 H new ATOM 0 HD13 LEU A 41 54.025 0.993 13.100 1.00 0.00 H new ATOM 0 HD21 LEU A 41 53.329 3.904 12.460 1.00 0.00 H new ATOM 0 HD22 LEU A 41 54.160 3.333 13.927 1.00 0.00 H new ATOM 0 HD23 LEU A 41 54.902 4.597 12.918 1.00 0.00 H new ATOM 653 N PRO A 42 58.347 1.587 10.304 1.00 0.00 N ATOM 654 CA PRO A 42 58.543 1.083 8.922 1.00 0.00 C ATOM 655 C PRO A 42 57.207 0.718 8.267 1.00 0.00 C ATOM 656 O PRO A 42 57.047 0.844 7.067 1.00 0.00 O ATOM 657 CB PRO A 42 59.400 -0.172 9.138 1.00 0.00 C ATOM 658 CG PRO A 42 59.656 -0.348 10.645 1.00 0.00 C ATOM 659 CD PRO A 42 59.024 0.825 11.393 1.00 0.00 C ATOM 0 HA PRO A 42 59.001 1.818 8.260 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.892 -1.049 8.737 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.345 -0.079 8.603 1.00 0.00 H new ATOM 0 HG2 PRO A 42 59.231 -1.290 10.992 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.727 -0.389 10.843 1.00 0.00 H new ATOM 0 HD2 PRO A 42 58.316 0.487 12.150 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.773 1.430 11.904 1.00 0.00 H new ATOM 667 N TRP A 43 56.259 0.248 9.034 1.00 0.00 N ATOM 668 CA TRP A 43 54.943 -0.149 8.446 1.00 0.00 C ATOM 669 C TRP A 43 54.078 1.088 8.195 1.00 0.00 C ATOM 670 O TRP A 43 53.816 1.867 9.090 1.00 0.00 O ATOM 671 CB TRP A 43 54.280 -1.051 9.492 1.00 0.00 C ATOM 672 CG TRP A 43 55.172 -2.198 9.839 1.00 0.00 C ATOM 673 CD1 TRP A 43 56.058 -2.179 10.846 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.279 -3.514 9.219 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.713 -3.395 10.897 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.267 -4.254 9.913 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.626 -4.132 8.138 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.595 -5.560 9.549 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.955 -5.447 7.769 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.935 -6.159 8.473 1.00 0.00 C ATOM 0 H TRP A 43 56.338 0.121 10.043 1.00 0.00 H new ATOM 0 HA TRP A 43 55.067 -0.658 7.490 1.00 0.00 H new ATOM 0 HB2 TRP A 43 54.056 -0.473 10.389 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.331 -1.425 9.108 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.232 -1.346 11.511 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.436 -3.629 11.577 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.868 -3.593 7.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.353 -6.103 10.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.449 -5.913 6.936 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.180 -7.170 8.184 1.00 0.00 H new ATOM 691 N TRP A 44 53.637 1.269 6.977 1.00 0.00 N ATOM 692 CA TRP A 44 52.789 2.448 6.643 1.00 0.00 C ATOM 693 C TRP A 44 51.378 1.984 6.263 1.00 0.00 C ATOM 694 O TRP A 44 50.983 0.870 6.534 1.00 0.00 O ATOM 695 CB TRP A 44 53.444 3.068 5.406 1.00 0.00 C ATOM 696 CG TRP A 44 54.874 3.416 5.640 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.428 3.841 6.802 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.937 3.389 4.661 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.781 4.061 6.586 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.139 3.795 5.275 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.960 3.043 3.302 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.335 3.858 4.557 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.150 3.104 2.574 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.342 3.511 3.198 1.00 0.00 C ATOM 0 H TRP A 44 53.831 0.644 6.194 1.00 0.00 H new ATOM 0 HA TRP A 44 52.712 3.141 7.480 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.374 2.370 4.572 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.896 3.965 5.118 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.906 3.984 7.736 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.432 4.379 7.304 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.050 2.727 2.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.247 4.171 5.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.155 2.837 1.527 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.261 3.556 2.632 1.00 0.00 H new ATOM 715 N ARG A 45 50.644 2.831 5.590 1.00 0.00 N ATOM 716 CA ARG A 45 49.283 2.470 5.116 1.00 0.00 C ATOM 717 C ARG A 45 49.221 2.842 3.633 1.00 0.00 C ATOM 718 O ARG A 45 48.706 3.881 3.263 1.00 0.00 O ATOM 719 CB ARG A 45 48.318 3.321 5.942 1.00 0.00 C ATOM 720 CG ARG A 45 47.002 2.564 6.131 1.00 0.00 C ATOM 721 CD ARG A 45 46.030 3.423 6.944 1.00 0.00 C ATOM 722 NE ARG A 45 44.867 2.534 7.215 1.00 0.00 N ATOM 723 CZ ARG A 45 43.886 2.463 6.358 1.00 0.00 C ATOM 724 NH1 ARG A 45 43.131 3.505 6.143 1.00 0.00 N ATOM 725 NH2 ARG A 45 43.659 1.349 5.718 1.00 0.00 N ATOM 0 H ARG A 45 50.940 3.776 5.346 1.00 0.00 H new ATOM 0 HA ARG A 45 49.036 1.414 5.227 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.759 3.552 6.912 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.134 4.271 5.441 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.567 2.323 5.161 1.00 0.00 H new ATOM 0 HG3 ARG A 45 47.184 1.619 6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.488 3.768 7.871 1.00 0.00 H new ATOM 0 HD3 ARG A 45 45.728 4.311 6.388 1.00 0.00 H new ATOM 0 HE ARG A 45 44.837 1.980 8.071 1.00 0.00 H new ATOM 0 HH11 ARG A 45 43.308 4.375 6.645 1.00 0.00 H new ATOM 0 HH12 ARG A 45 42.364 3.450 5.473 1.00 0.00 H new ATOM 0 HH21 ARG A 45 44.248 0.534 5.888 1.00 0.00 H new ATOM 0 HH22 ARG A 45 42.892 1.293 5.048 1.00 0.00 H new ATOM 739 N ALA A 46 49.797 2.023 2.791 1.00 0.00 N ATOM 740 CA ALA A 46 49.842 2.335 1.332 1.00 0.00 C ATOM 741 C ALA A 46 48.979 1.357 0.532 1.00 0.00 C ATOM 742 O ALA A 46 48.708 0.254 0.970 1.00 0.00 O ATOM 743 CB ALA A 46 51.324 2.172 0.965 1.00 0.00 C ATOM 0 H ALA A 46 50.242 1.144 3.055 1.00 0.00 H new ATOM 0 HA ALA A 46 49.455 3.329 1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.461 2.382 -0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.923 2.867 1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.641 1.151 1.177 1.00 0.00 H new ATOM 749 N ARG A 47 48.556 1.751 -0.647 1.00 0.00 N ATOM 750 CA ARG A 47 47.725 0.836 -1.486 1.00 0.00 C ATOM 751 C ARG A 47 48.536 0.343 -2.677 1.00 0.00 C ATOM 752 O ARG A 47 49.553 0.912 -3.024 1.00 0.00 O ATOM 753 CB ARG A 47 46.547 1.661 -1.988 1.00 0.00 C ATOM 754 CG ARG A 47 45.633 2.026 -0.822 1.00 0.00 C ATOM 755 CD ARG A 47 44.690 3.162 -1.237 1.00 0.00 C ATOM 756 NE ARG A 47 45.575 4.304 -1.606 1.00 0.00 N ATOM 757 CZ ARG A 47 45.055 5.402 -2.083 1.00 0.00 C ATOM 758 NH1 ARG A 47 44.017 5.940 -1.501 1.00 0.00 N ATOM 759 NH2 ARG A 47 45.573 5.963 -3.142 1.00 0.00 N ATOM 0 H ARG A 47 48.751 2.663 -1.061 1.00 0.00 H new ATOM 0 HA ARG A 47 47.396 -0.030 -0.912 1.00 0.00 H new ATOM 0 HB2 ARG A 47 46.908 2.567 -2.476 1.00 0.00 H new ATOM 0 HB3 ARG A 47 45.989 1.097 -2.736 1.00 0.00 H new ATOM 0 HG2 ARG A 47 45.055 1.155 -0.515 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.229 2.332 0.038 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.064 2.864 -2.078 1.00 0.00 H new ATOM 0 HD3 ARG A 47 44.020 3.433 -0.421 1.00 0.00 H new ATOM 0 HE ARG A 47 46.585 4.227 -1.486 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.612 5.502 -0.673 1.00 0.00 H new ATOM 0 HH12 ARG A 47 43.611 6.798 -1.874 1.00 0.00 H new ATOM 0 HH21 ARG A 47 46.384 5.543 -3.596 1.00 0.00 H new ATOM 0 HH22 ARG A 47 45.167 6.821 -3.515 1.00 0.00 H new ATOM 773 N ASP A 48 48.084 -0.703 -3.308 1.00 0.00 N ATOM 774 CA ASP A 48 48.813 -1.242 -4.484 1.00 0.00 C ATOM 775 C ASP A 48 48.077 -0.869 -5.780 1.00 0.00 C ATOM 776 O ASP A 48 47.395 0.137 -5.844 1.00 0.00 O ATOM 777 CB ASP A 48 48.827 -2.758 -4.255 1.00 0.00 C ATOM 778 CG ASP A 48 47.396 -3.304 -4.228 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.620 -2.837 -3.411 1.00 0.00 O ATOM 780 OD2 ASP A 48 47.103 -4.181 -5.025 1.00 0.00 O ATOM 0 H ASP A 48 47.235 -1.210 -3.057 1.00 0.00 H new ATOM 0 HA ASP A 48 49.821 -0.840 -4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.395 -3.247 -5.046 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.329 -2.986 -3.314 1.00 0.00 H new ATOM 785 N LYS A 49 48.212 -1.668 -6.810 1.00 0.00 N ATOM 786 CA LYS A 49 47.526 -1.359 -8.101 1.00 0.00 C ATOM 787 C LYS A 49 46.218 -2.147 -8.208 1.00 0.00 C ATOM 788 O LYS A 49 45.886 -2.674 -9.253 1.00 0.00 O ATOM 789 CB LYS A 49 48.507 -1.801 -9.187 1.00 0.00 C ATOM 790 CG LYS A 49 49.513 -0.678 -9.455 1.00 0.00 C ATOM 791 CD LYS A 49 49.900 -0.680 -10.936 1.00 0.00 C ATOM 792 CE LYS A 49 49.009 0.305 -11.697 1.00 0.00 C ATOM 793 NZ LYS A 49 49.586 1.647 -11.408 1.00 0.00 N ATOM 0 H LYS A 49 48.769 -2.522 -6.811 1.00 0.00 H new ATOM 0 HA LYS A 49 47.269 -0.303 -8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.030 -2.705 -8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 49 47.967 -2.046 -10.102 1.00 0.00 H new ATOM 0 HG2 LYS A 49 49.080 0.285 -9.183 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.400 -0.815 -8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.948 -0.402 -11.050 1.00 0.00 H new ATOM 0 HD3 LYS A 49 49.790 -1.682 -11.351 1.00 0.00 H new ATOM 0 HE2 LYS A 49 49.013 0.096 -12.767 1.00 0.00 H new ATOM 0 HE3 LYS A 49 47.973 0.240 -11.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 49.397 2.285 -12.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 49.151 2.033 -10.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 50.613 1.561 -11.269 1.00 0.00 H new ATOM 807 N ASN A 50 45.474 -2.225 -7.134 1.00 0.00 N ATOM 808 CA ASN A 50 44.185 -2.967 -7.162 1.00 0.00 C ATOM 809 C ASN A 50 43.160 -2.304 -6.233 1.00 0.00 C ATOM 810 O ASN A 50 42.202 -2.925 -5.814 1.00 0.00 O ATOM 811 CB ASN A 50 44.524 -4.375 -6.671 1.00 0.00 C ATOM 812 CG ASN A 50 45.515 -5.028 -7.636 1.00 0.00 C ATOM 813 OD1 ASN A 50 45.289 -5.056 -8.829 1.00 0.00 O ATOM 814 ND2 ASN A 50 46.611 -5.559 -7.168 1.00 0.00 N ATOM 0 H ASN A 50 45.709 -1.803 -6.236 1.00 0.00 H new ATOM 0 HA ASN A 50 43.743 -2.978 -8.158 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.952 -4.329 -5.670 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.617 -4.976 -6.603 1.00 0.00 H new ATOM 0 HD21 ASN A 50 47.277 -5.997 -7.804 1.00 0.00 H new ATOM 0 HD22 ASN A 50 46.802 -5.536 -6.166 1.00 0.00 H new ATOM 821 N GLY A 51 43.355 -1.046 -5.912 1.00 0.00 N ATOM 822 CA GLY A 51 42.392 -0.340 -5.015 1.00 0.00 C ATOM 823 C GLY A 51 42.365 -1.020 -3.644 1.00 0.00 C ATOM 824 O GLY A 51 41.362 -1.004 -2.955 1.00 0.00 O ATOM 0 H GLY A 51 44.140 -0.480 -6.234 1.00 0.00 H new ATOM 0 HA2 GLY A 51 42.681 0.705 -4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.395 -0.351 -5.456 1.00 0.00 H new ATOM 828 N GLN A 52 43.460 -1.616 -3.245 1.00 0.00 N ATOM 829 CA GLN A 52 43.506 -2.299 -1.918 1.00 0.00 C ATOM 830 C GLN A 52 44.513 -1.601 -0.999 1.00 0.00 C ATOM 831 O GLN A 52 45.640 -1.349 -1.380 1.00 0.00 O ATOM 832 CB GLN A 52 43.955 -3.728 -2.222 1.00 0.00 C ATOM 833 CG GLN A 52 42.728 -4.607 -2.479 1.00 0.00 C ATOM 834 CD GLN A 52 41.937 -4.773 -1.181 1.00 0.00 C ATOM 835 OE1 GLN A 52 42.404 -5.394 -0.247 1.00 0.00 O ATOM 836 NE2 GLN A 52 40.751 -4.238 -1.080 1.00 0.00 N ATOM 0 H GLN A 52 44.326 -1.659 -3.783 1.00 0.00 H new ATOM 0 HA GLN A 52 42.543 -2.276 -1.408 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.610 -3.737 -3.093 1.00 0.00 H new ATOM 0 HB3 GLN A 52 44.531 -4.125 -1.386 1.00 0.00 H new ATOM 0 HG2 GLN A 52 42.098 -4.155 -3.246 1.00 0.00 H new ATOM 0 HG3 GLN A 52 43.038 -5.582 -2.855 1.00 0.00 H new ATOM 0 HE21 GLN A 52 40.358 -3.716 -1.864 1.00 0.00 H new ATOM 0 HE22 GLN A 52 40.217 -4.341 -0.217 1.00 0.00 H new ATOM 845 N GLU A 53 44.111 -1.288 0.207 1.00 0.00 N ATOM 846 CA GLU A 53 45.037 -0.605 1.158 1.00 0.00 C ATOM 847 C GLU A 53 45.451 -1.562 2.273 1.00 0.00 C ATOM 848 O GLU A 53 44.686 -2.416 2.681 1.00 0.00 O ATOM 849 CB GLU A 53 44.230 0.562 1.727 1.00 0.00 C ATOM 850 CG GLU A 53 45.174 1.551 2.414 1.00 0.00 C ATOM 851 CD GLU A 53 44.533 2.939 2.434 1.00 0.00 C ATOM 852 OE1 GLU A 53 43.356 3.023 2.746 1.00 0.00 O ATOM 853 OE2 GLU A 53 45.230 3.896 2.138 1.00 0.00 O ATOM 0 H GLU A 53 43.178 -1.477 0.574 1.00 0.00 H new ATOM 0 HA GLU A 53 45.953 -0.270 0.672 1.00 0.00 H new ATOM 0 HB2 GLU A 53 43.682 1.062 0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 53 43.491 0.194 2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 53 45.385 1.222 3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 53 46.127 1.587 1.886 1.00 0.00 H new ATOM 860 N GLY A 54 46.653 -1.424 2.773 1.00 0.00 N ATOM 861 CA GLY A 54 47.114 -2.324 3.866 1.00 0.00 C ATOM 862 C GLY A 54 48.419 -1.782 4.432 1.00 0.00 C ATOM 863 O GLY A 54 48.650 -0.588 4.415 1.00 0.00 O ATOM 0 H GLY A 54 47.333 -0.726 2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.359 -2.383 4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.259 -3.335 3.486 1.00 0.00 H new ATOM 867 N TYR A 55 49.272 -2.636 4.940 1.00 0.00 N ATOM 868 CA TYR A 55 50.553 -2.135 5.512 1.00 0.00 C ATOM 869 C TYR A 55 51.736 -2.413 4.582 1.00 0.00 C ATOM 870 O TYR A 55 51.838 -3.457 3.968 1.00 0.00 O ATOM 871 CB TYR A 55 50.725 -2.865 6.845 1.00 0.00 C ATOM 872 CG TYR A 55 49.759 -2.298 7.858 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.383 -2.510 7.710 1.00 0.00 C ATOM 874 CD2 TYR A 55 50.240 -1.560 8.946 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.489 -1.984 8.649 1.00 0.00 C ATOM 876 CE2 TYR A 55 49.346 -1.034 9.886 1.00 0.00 C ATOM 877 CZ TYR A 55 47.969 -1.246 9.737 1.00 0.00 C ATOM 878 OH TYR A 55 47.087 -0.727 10.664 1.00 0.00 O ATOM 0 H TYR A 55 49.137 -3.646 4.982 1.00 0.00 H new ATOM 0 HA TYR A 55 50.525 -1.053 5.643 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.546 -3.932 6.713 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.749 -2.756 7.202 1.00 0.00 H new ATOM 0 HD1 TYR A 55 48.012 -3.080 6.871 1.00 0.00 H new ATOM 0 HD2 TYR A 55 51.301 -1.396 9.060 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.428 -2.148 8.534 1.00 0.00 H new ATOM 0 HE2 TYR A 55 49.717 -0.465 10.726 1.00 0.00 H new ATOM 0 HH TYR A 55 46.383 -1.383 10.849 1.00 0.00 H new ATOM 888 N ILE A 56 52.627 -1.461 4.482 1.00 0.00 N ATOM 889 CA ILE A 56 53.825 -1.610 3.603 1.00 0.00 C ATOM 890 C ILE A 56 55.109 -1.435 4.460 1.00 0.00 C ATOM 891 O ILE A 56 55.436 -0.320 4.819 1.00 0.00 O ATOM 892 CB ILE A 56 53.663 -0.470 2.568 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.781 -0.958 1.424 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.004 -0.028 1.980 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.351 -1.113 1.922 1.00 0.00 C ATOM 0 H ILE A 56 52.574 -0.573 4.980 1.00 0.00 H new ATOM 0 HA ILE A 56 53.907 -2.583 3.119 1.00 0.00 H new ATOM 0 HB ILE A 56 53.217 0.380 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.815 -0.250 0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 56 53.151 -1.910 1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.839 0.773 1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.651 0.331 2.780 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.479 -0.873 1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.718 -1.462 1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 56 51.326 -1.837 2.736 1.00 0.00 H new ATOM 0 HD13 ILE A 56 50.984 -0.151 2.280 1.00 0.00 H new ATOM 907 N PRO A 57 55.813 -2.519 4.760 1.00 0.00 N ATOM 908 CA PRO A 57 57.059 -2.397 5.561 1.00 0.00 C ATOM 909 C PRO A 57 58.074 -1.513 4.824 1.00 0.00 C ATOM 910 O PRO A 57 58.327 -1.695 3.648 1.00 0.00 O ATOM 911 CB PRO A 57 57.544 -3.847 5.660 1.00 0.00 C ATOM 912 CG PRO A 57 56.550 -4.756 4.912 1.00 0.00 C ATOM 913 CD PRO A 57 55.425 -3.892 4.337 1.00 0.00 C ATOM 0 HA PRO A 57 56.916 -1.934 6.537 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.540 -3.942 5.228 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.619 -4.149 6.705 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.059 -5.293 4.112 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.141 -5.506 5.590 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.363 -3.978 3.252 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.452 -4.178 4.736 1.00 0.00 H new ATOM 921 N SER A 58 58.644 -0.552 5.505 1.00 0.00 N ATOM 922 CA SER A 58 59.633 0.366 4.851 1.00 0.00 C ATOM 923 C SER A 58 60.790 -0.422 4.232 1.00 0.00 C ATOM 924 O SER A 58 61.260 -0.104 3.157 1.00 0.00 O ATOM 925 CB SER A 58 60.147 1.270 5.972 1.00 0.00 C ATOM 926 OG SER A 58 61.171 2.113 5.463 1.00 0.00 O ATOM 0 H SER A 58 58.468 -0.361 6.491 1.00 0.00 H new ATOM 0 HA SER A 58 59.175 0.933 4.041 1.00 0.00 H new ATOM 0 HB2 SER A 58 59.331 1.871 6.373 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.532 0.666 6.794 1.00 0.00 H new ATOM 0 HG SER A 58 60.767 2.894 5.030 1.00 0.00 H new ATOM 932 N ASN A 59 61.256 -1.443 4.904 1.00 0.00 N ATOM 933 CA ASN A 59 62.388 -2.249 4.355 1.00 0.00 C ATOM 934 C ASN A 59 61.939 -2.994 3.095 1.00 0.00 C ATOM 935 O ASN A 59 62.669 -3.114 2.130 1.00 0.00 O ATOM 936 CB ASN A 59 62.766 -3.221 5.485 1.00 0.00 C ATOM 937 CG ASN A 59 61.683 -4.290 5.690 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.580 -3.984 6.096 1.00 0.00 O ATOM 939 ND2 ASN A 59 61.957 -5.538 5.426 1.00 0.00 N ATOM 0 H ASN A 59 60.902 -1.754 5.809 1.00 0.00 H new ATOM 0 HA ASN A 59 63.240 -1.636 4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.715 -3.703 5.250 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.911 -2.665 6.412 1.00 0.00 H new ATOM 0 HD21 ASN A 59 61.245 -6.256 5.561 1.00 0.00 H new ATOM 0 HD22 ASN A 59 62.883 -5.796 5.085 1.00 0.00 H new ATOM 946 N TYR A 60 60.740 -3.500 3.122 1.00 0.00 N ATOM 947 CA TYR A 60 60.208 -4.259 1.948 1.00 0.00 C ATOM 948 C TYR A 60 60.072 -3.351 0.719 1.00 0.00 C ATOM 949 O TYR A 60 60.407 -3.747 -0.382 1.00 0.00 O ATOM 950 CB TYR A 60 58.835 -4.776 2.388 1.00 0.00 C ATOM 951 CG TYR A 60 58.953 -6.218 2.827 1.00 0.00 C ATOM 952 CD1 TYR A 60 58.790 -7.249 1.895 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.221 -6.521 4.167 1.00 0.00 C ATOM 954 CE1 TYR A 60 58.898 -8.584 2.303 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.329 -7.855 4.574 1.00 0.00 C ATOM 956 CZ TYR A 60 59.167 -8.887 3.642 1.00 0.00 C ATOM 957 OH TYR A 60 59.273 -10.204 4.044 1.00 0.00 O ATOM 0 H TYR A 60 60.098 -3.422 3.910 1.00 0.00 H new ATOM 0 HA TYR A 60 60.878 -5.069 1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.451 -4.167 3.206 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.123 -4.692 1.567 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.581 -7.015 0.862 1.00 0.00 H new ATOM 0 HD2 TYR A 60 59.344 -5.725 4.887 1.00 0.00 H new ATOM 0 HE1 TYR A 60 58.774 -9.380 1.584 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.537 -8.089 5.608 1.00 0.00 H new ATOM 0 HH TYR A 60 59.463 -10.238 5.005 1.00 0.00 H new ATOM 967 N VAL A 61 59.580 -2.145 0.885 1.00 0.00 N ATOM 968 CA VAL A 61 59.429 -1.236 -0.297 1.00 0.00 C ATOM 969 C VAL A 61 60.491 -0.137 -0.287 1.00 0.00 C ATOM 970 O VAL A 61 61.190 0.063 0.688 1.00 0.00 O ATOM 971 CB VAL A 61 58.033 -0.617 -0.191 1.00 0.00 C ATOM 972 CG1 VAL A 61 56.976 -1.717 -0.307 1.00 0.00 C ATOM 973 CG2 VAL A 61 57.878 0.100 1.152 1.00 0.00 C ATOM 0 H VAL A 61 59.279 -1.754 1.778 1.00 0.00 H new ATOM 0 HA VAL A 61 59.554 -1.792 -1.226 1.00 0.00 H new ATOM 0 HB VAL A 61 57.901 0.104 -0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 61 55.982 -1.276 -0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.078 -2.220 -1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.114 -2.440 0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 61 56.882 0.537 1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.016 -0.614 1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.626 0.889 1.232 1.00 0.00 H new ATOM 983 N THR A 62 60.605 0.583 -1.372 1.00 0.00 N ATOM 984 CA THR A 62 61.604 1.688 -1.453 1.00 0.00 C ATOM 985 C THR A 62 60.986 2.863 -2.234 1.00 0.00 C ATOM 986 O THR A 62 59.845 3.211 -2.009 1.00 0.00 O ATOM 987 CB THR A 62 62.813 1.070 -2.174 1.00 0.00 C ATOM 988 OG1 THR A 62 63.837 2.047 -2.293 1.00 0.00 O ATOM 989 CG2 THR A 62 62.403 0.590 -3.567 1.00 0.00 C ATOM 0 H THR A 62 60.043 0.451 -2.213 1.00 0.00 H new ATOM 0 HA THR A 62 61.903 2.087 -0.484 1.00 0.00 H new ATOM 0 HB THR A 62 63.178 0.220 -1.598 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.610 1.656 -2.751 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.266 0.154 -4.070 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.618 -0.161 -3.477 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.033 1.434 -4.148 1.00 0.00 H new ATOM 997 N GLU A 63 61.709 3.477 -3.143 1.00 0.00 N ATOM 998 CA GLU A 63 61.129 4.613 -3.918 1.00 0.00 C ATOM 999 C GLU A 63 60.455 4.090 -5.188 1.00 0.00 C ATOM 1000 O GLU A 63 60.963 3.209 -5.852 1.00 0.00 O ATOM 1001 CB GLU A 63 62.319 5.509 -4.264 1.00 0.00 C ATOM 1002 CG GLU A 63 61.812 6.865 -4.760 1.00 0.00 C ATOM 1003 CD GLU A 63 62.996 7.816 -4.947 1.00 0.00 C ATOM 1004 OE1 GLU A 63 63.791 7.929 -4.029 1.00 0.00 O ATOM 1005 OE2 GLU A 63 63.087 8.415 -6.006 1.00 0.00 O ATOM 0 H GLU A 63 62.672 3.239 -3.378 1.00 0.00 H new ATOM 0 HA GLU A 63 60.368 5.155 -3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 63 62.952 5.645 -3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.933 5.036 -5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.278 6.743 -5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 63 61.105 7.284 -4.045 1.00 0.00 H new ATOM 1012 N ALA A 64 59.306 4.625 -5.525 1.00 0.00 N ATOM 1013 CA ALA A 64 58.576 4.160 -6.751 1.00 0.00 C ATOM 1014 C ALA A 64 59.499 4.162 -7.978 1.00 0.00 C ATOM 1015 O ALA A 64 59.290 3.424 -8.923 1.00 0.00 O ATOM 1016 CB ALA A 64 57.438 5.163 -6.944 1.00 0.00 C ATOM 0 H ALA A 64 58.839 5.367 -5.003 1.00 0.00 H new ATOM 0 HA ALA A 64 58.213 3.139 -6.636 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.857 4.889 -7.824 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.792 5.154 -6.066 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.853 6.162 -7.079 1.00 0.00 H new ATOM 1022 N GLU A 65 60.514 4.989 -7.968 1.00 0.00 N ATOM 1023 CA GLU A 65 61.453 5.047 -9.128 1.00 0.00 C ATOM 1024 C GLU A 65 62.866 4.654 -8.690 1.00 0.00 C ATOM 1025 O GLU A 65 63.586 4.007 -9.424 1.00 0.00 O ATOM 1026 CB GLU A 65 61.420 6.505 -9.589 1.00 0.00 C ATOM 1027 CG GLU A 65 60.014 6.854 -10.079 1.00 0.00 C ATOM 1028 CD GLU A 65 59.934 8.351 -10.380 1.00 0.00 C ATOM 1029 OE1 GLU A 65 59.925 9.126 -9.437 1.00 0.00 O ATOM 1030 OE2 GLU A 65 59.885 8.699 -11.549 1.00 0.00 O ATOM 0 H GLU A 65 60.733 5.628 -7.204 1.00 0.00 H new ATOM 0 HA GLU A 65 61.168 4.359 -9.924 1.00 0.00 H new ATOM 0 HB2 GLU A 65 61.704 7.163 -8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 65 62.144 6.661 -10.388 1.00 0.00 H new ATOM 0 HG2 GLU A 65 59.777 6.279 -10.974 1.00 0.00 H new ATOM 0 HG3 GLU A 65 59.277 6.585 -9.323 1.00 0.00 H new ATOM 1037 N ASP A 66 63.255 5.050 -7.493 1.00 0.00 N ATOM 1038 CA ASP A 66 64.622 4.731 -6.938 1.00 0.00 C ATOM 1039 C ASP A 66 65.722 4.792 -8.014 1.00 0.00 C ATOM 1040 O ASP A 66 66.447 3.839 -8.227 1.00 0.00 O ATOM 1041 CB ASP A 66 64.507 3.319 -6.341 1.00 0.00 C ATOM 1042 CG ASP A 66 64.217 2.290 -7.437 1.00 0.00 C ATOM 1043 OD1 ASP A 66 63.052 2.086 -7.737 1.00 0.00 O ATOM 1044 OD2 ASP A 66 65.164 1.722 -7.955 1.00 0.00 O ATOM 0 H ASP A 66 62.668 5.595 -6.862 1.00 0.00 H new ATOM 0 HA ASP A 66 64.916 5.467 -6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 66 65.433 3.059 -5.827 1.00 0.00 H new ATOM 0 HB3 ASP A 66 63.712 3.298 -5.596 1.00 0.00 H new ATOM 1049 N SER A 67 65.842 5.909 -8.687 1.00 0.00 N ATOM 1050 CA SER A 67 66.886 6.043 -9.746 1.00 0.00 C ATOM 1051 C SER A 67 68.215 6.483 -9.126 1.00 0.00 C ATOM 1052 O SER A 67 69.176 6.616 -9.866 1.00 0.00 O ATOM 1053 CB SER A 67 66.354 7.119 -10.692 1.00 0.00 C ATOM 1054 OG SER A 67 65.732 6.496 -11.809 1.00 0.00 O ATOM 1055 OXT SER A 67 68.248 6.679 -7.923 1.00 0.00 O ATOM 0 H SER A 67 65.260 6.735 -8.548 1.00 0.00 H new ATOM 0 HA SER A 67 67.073 5.102 -10.263 1.00 0.00 H new ATOM 0 HB2 SER A 67 65.639 7.756 -10.171 1.00 0.00 H new ATOM 0 HB3 SER A 67 67.169 7.761 -11.026 1.00 0.00 H new ATOM 0 HG SER A 67 65.388 7.183 -12.417 1.00 0.00 H new TER 1061 SER A 67