USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 653 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 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 80 HIS : no HE2:sc= 0.775 K(o=0.77,f=-2.5!) USER MOD Set 2.1: A 54 LYS NZ :NH3+ -123:sc= -0.0579 (180deg=-0.0112) USER MOD Set 2.2: A 55 LYS NZ :NH3+ -119:sc=-0.00428 (180deg=-0.992) USER MOD Set 3.1: A 34 TYR OH : rot 102:sc= 1.22 USER MOD Set 3.2: A 49 ASN : amide:sc= -0.581 X(o=0.64,f=0.93!) USER MOD Single : A 0 MET CE :methyl 161:sc= -0.0236 (180deg=-0.406) USER MOD Single : A 0 MET N :NH3+ 158:sc= 0.556 (180deg=-0.339) USER MOD Single : A 4 TYR OH : rot -148:sc= 0.777 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -29:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.084) USER MOD Single : A 18 SER OG : rot 180:sc= 0.042 USER MOD Single : A 19 HIS :FLIP no HE2:sc= -0.965 F(o=-2.5!,f=-0.97) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS :FLIP no HE2:sc= -0.952 F(o=-2.4!,f=-0.95) USER MOD Single : A 29 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.333) USER MOD Single : A 30 TYR OH : rot -90:sc= -0.0851 USER MOD Single : A 33 SER OG : rot 91:sc= 0.909 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 80:sc= 0.0712 USER MOD Single : A 47 HIS : no HE2:sc= 0.849 K(o=0.85,f=-2.7!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 1.22 USER MOD Single : A 62 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.76) USER MOD Single : A 76 SER OG : rot 180:sc= 0.106 USER MOD Single : A 77 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.318) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 281.163 121.212 405.312 1.00 0.00 N ATOM 2 CA MET A 0 281.954 122.411 405.356 1.00 0.00 C ATOM 3 C MET A 0 283.408 121.998 405.316 1.00 0.00 C ATOM 4 O MET A 0 284.277 122.700 405.832 1.00 0.00 O ATOM 5 CB MET A 0 281.627 123.352 406.562 1.00 0.00 C ATOM 6 CG MET A 0 280.217 123.987 406.490 1.00 0.00 C ATOM 7 SD MET A 0 278.812 122.905 406.907 1.00 0.00 S ATOM 8 CE MET A 0 279.159 122.736 408.682 1.00 0.00 C ATOM 0 H1 MET A 0 280.218 121.405 405.702 1.00 0.00 H new ATOM 0 H2 MET A 0 281.072 120.892 404.327 1.00 0.00 H new ATOM 0 H3 MET A 0 281.625 120.470 405.875 1.00 0.00 H new ATOM 0 HA MET A 0 281.709 123.025 404.489 1.00 0.00 H new ATOM 0 HB2 MET A 0 281.713 122.784 407.488 1.00 0.00 H new ATOM 0 HB3 MET A 0 282.372 124.146 406.604 1.00 0.00 H new ATOM 0 HG2 MET A 0 280.196 124.846 407.160 1.00 0.00 H new ATOM 0 HG3 MET A 0 280.066 124.367 405.480 1.00 0.00 H new ATOM 0 HE1 MET A 0 278.259 122.401 409.198 1.00 0.00 H new ATOM 0 HE2 MET A 0 279.955 122.006 408.829 1.00 0.00 H new ATOM 0 HE3 MET A 0 279.471 123.699 409.085 1.00 0.00 H new ATOM 18 N GLY A 1 283.709 120.832 404.662 1.00 0.00 N ATOM 19 CA GLY A 1 285.052 120.247 404.503 1.00 0.00 C ATOM 20 C GLY A 1 285.985 120.966 403.549 1.00 0.00 C ATOM 21 O GLY A 1 287.202 120.902 403.676 1.00 0.00 O ATOM 0 H GLY A 1 282.986 120.265 404.220 1.00 0.00 H new ATOM 0 HA2 GLY A 1 285.527 120.208 405.483 1.00 0.00 H new ATOM 0 HA3 GLY A 1 284.940 119.218 404.162 1.00 0.00 H new ATOM 25 N ILE A 2 285.423 121.692 402.553 1.00 0.00 N ATOM 26 CA ILE A 2 286.145 122.557 401.627 1.00 0.00 C ATOM 27 C ILE A 2 285.516 123.947 401.739 1.00 0.00 C ATOM 28 O ILE A 2 284.312 124.076 401.984 1.00 0.00 O ATOM 29 CB ILE A 2 286.128 122.108 400.158 1.00 0.00 C ATOM 30 CG1 ILE A 2 285.998 120.572 399.975 1.00 0.00 C ATOM 31 CG2 ILE A 2 287.385 122.723 399.494 1.00 0.00 C ATOM 32 CD1 ILE A 2 286.566 120.044 398.651 1.00 0.00 C ATOM 0 H ILE A 2 284.418 121.682 402.377 1.00 0.00 H new ATOM 0 HA ILE A 2 287.197 122.530 401.912 1.00 0.00 H new ATOM 0 HB ILE A 2 285.230 122.473 399.660 1.00 0.00 H new ATOM 0 HG12 ILE A 2 286.509 120.075 400.800 1.00 0.00 H new ATOM 0 HG13 ILE A 2 284.945 120.298 400.040 1.00 0.00 H new ATOM 0 HG21 ILE A 2 287.421 122.433 398.444 1.00 0.00 H new ATOM 0 HG22 ILE A 2 287.341 123.810 399.569 1.00 0.00 H new ATOM 0 HG23 ILE A 2 288.279 122.360 400.001 1.00 0.00 H new ATOM 0 HD11 ILE A 2 286.435 118.963 398.604 1.00 0.00 H new ATOM 0 HD12 ILE A 2 286.040 120.510 397.818 1.00 0.00 H new ATOM 0 HD13 ILE A 2 287.628 120.284 398.589 1.00 0.00 H new ATOM 44 N ASP A 3 286.294 125.052 401.520 1.00 0.00 N ATOM 45 CA ASP A 3 285.751 126.402 401.639 1.00 0.00 C ATOM 46 C ASP A 3 285.100 126.921 400.389 1.00 0.00 C ATOM 47 O ASP A 3 285.609 127.838 399.764 1.00 0.00 O ATOM 48 CB ASP A 3 286.810 127.485 402.088 1.00 0.00 C ATOM 49 CG ASP A 3 286.146 128.726 402.731 1.00 0.00 C ATOM 50 OD1 ASP A 3 284.910 128.720 402.972 1.00 0.00 O ATOM 51 OD2 ASP A 3 286.877 129.710 402.981 1.00 0.00 O1- ATOM 0 H ASP A 3 287.281 125.014 401.265 1.00 0.00 H new ATOM 0 HA ASP A 3 284.999 126.271 402.417 1.00 0.00 H new ATOM 0 HB2 ASP A 3 287.504 127.038 402.800 1.00 0.00 H new ATOM 0 HB3 ASP A 3 287.396 127.797 401.224 1.00 0.00 H new ATOM 56 N TYR A 4 283.950 126.367 399.988 1.00 0.00 N ATOM 57 CA TYR A 4 282.862 127.009 399.260 1.00 0.00 C ATOM 58 C TYR A 4 281.896 127.908 400.020 1.00 0.00 C ATOM 59 O TYR A 4 281.758 129.114 399.803 1.00 0.00 O ATOM 60 CB TYR A 4 282.222 126.151 398.170 1.00 0.00 C ATOM 61 CG TYR A 4 283.237 125.252 397.642 1.00 0.00 C ATOM 62 CD1 TYR A 4 283.253 123.898 397.901 1.00 0.00 C ATOM 63 CD2 TYR A 4 284.225 125.842 396.913 1.00 0.00 C ATOM 64 CE1 TYR A 4 284.315 123.150 397.455 1.00 0.00 C ATOM 65 CE2 TYR A 4 285.266 125.084 396.492 1.00 0.00 C ATOM 66 CZ TYR A 4 285.361 123.750 396.800 1.00 0.00 C ATOM 67 OH TYR A 4 286.374 122.951 396.247 1.00 0.00 O ATOM 0 H TYR A 4 283.746 125.386 400.181 1.00 0.00 H new ATOM 0 HA TYR A 4 283.432 127.773 398.731 1.00 0.00 H new ATOM 0 HB2 TYR A 4 281.385 125.583 398.576 1.00 0.00 H new ATOM 0 HB3 TYR A 4 281.823 126.782 397.376 1.00 0.00 H new ATOM 0 HD1 TYR A 4 282.444 123.433 398.445 1.00 0.00 H new ATOM 0 HD2 TYR A 4 284.179 126.894 396.675 1.00 0.00 H new ATOM 0 HE1 TYR A 4 284.327 122.083 397.621 1.00 0.00 H new ATOM 0 HE2 TYR A 4 286.043 125.542 395.898 1.00 0.00 H new ATOM 0 HH TYR A 4 287.226 123.434 396.280 1.00 0.00 H new ATOM 77 N SER A 5 281.097 127.215 400.912 1.00 0.00 N ATOM 78 CA SER A 5 279.826 127.628 401.543 1.00 0.00 C ATOM 79 C SER A 5 279.857 128.934 402.317 1.00 0.00 C ATOM 80 O SER A 5 279.045 129.812 402.055 1.00 0.00 O ATOM 81 CB SER A 5 279.147 126.491 402.386 1.00 0.00 C ATOM 82 OG SER A 5 278.960 125.279 401.640 1.00 0.00 O ATOM 0 H SER A 5 281.366 126.280 401.219 1.00 0.00 H new ATOM 0 HA SER A 5 279.199 127.829 400.675 1.00 0.00 H new ATOM 0 HB2 SER A 5 279.759 126.281 403.263 1.00 0.00 H new ATOM 0 HB3 SER A 5 278.181 126.842 402.748 1.00 0.00 H new ATOM 0 HG SER A 5 278.536 124.605 402.211 1.00 0.00 H new ATOM 88 N GLY A 6 280.880 129.185 403.186 1.00 0.00 N ATOM 89 CA GLY A 6 281.232 130.476 403.782 1.00 0.00 C ATOM 90 C GLY A 6 281.455 131.636 402.848 1.00 0.00 C ATOM 91 O GLY A 6 281.002 132.744 403.098 1.00 0.00 O ATOM 0 H GLY A 6 281.505 128.441 403.496 1.00 0.00 H new ATOM 0 HA2 GLY A 6 280.440 130.752 404.478 1.00 0.00 H new ATOM 0 HA3 GLY A 6 282.139 130.339 404.370 1.00 0.00 H new ATOM 95 N LEU A 7 282.110 131.426 401.679 1.00 0.00 N ATOM 96 CA LEU A 7 282.312 132.462 400.674 1.00 0.00 C ATOM 97 C LEU A 7 281.049 132.748 399.882 1.00 0.00 C ATOM 98 O LEU A 7 280.740 133.907 399.604 1.00 0.00 O ATOM 99 CB LEU A 7 283.494 132.205 399.737 1.00 0.00 C ATOM 100 CG LEU A 7 284.855 131.900 400.407 1.00 0.00 C ATOM 101 CD1 LEU A 7 285.109 132.279 401.868 1.00 0.00 C ATOM 102 CD2 LEU A 7 285.013 130.412 400.366 1.00 0.00 C ATOM 0 H LEU A 7 282.509 130.524 401.420 1.00 0.00 H new ATOM 0 HA LEU A 7 282.568 133.353 401.248 1.00 0.00 H new ATOM 0 HB2 LEU A 7 283.238 131.367 399.088 1.00 0.00 H new ATOM 0 HB3 LEU A 7 283.617 133.078 399.097 1.00 0.00 H new ATOM 0 HG LEU A 7 285.548 132.526 399.844 1.00 0.00 H new ATOM 0 HD11 LEU A 7 286.119 131.983 402.150 1.00 0.00 H new ATOM 0 HD12 LEU A 7 285.000 133.357 401.989 1.00 0.00 H new ATOM 0 HD13 LEU A 7 284.389 131.768 402.507 1.00 0.00 H new ATOM 0 HD21 LEU A 7 285.961 130.134 400.827 1.00 0.00 H new ATOM 0 HD22 LEU A 7 284.193 129.944 400.911 1.00 0.00 H new ATOM 0 HD23 LEU A 7 285.000 130.073 399.330 1.00 0.00 H new ATOM 114 N ARG A 8 280.244 131.694 399.549 1.00 0.00 N ATOM 115 CA ARG A 8 278.912 131.886 398.953 1.00 0.00 C ATOM 116 C ARG A 8 277.823 132.460 399.826 1.00 0.00 C ATOM 117 O ARG A 8 277.023 133.277 399.373 1.00 0.00 O ATOM 118 CB ARG A 8 278.401 130.720 398.048 1.00 0.00 C ATOM 119 CG ARG A 8 279.219 129.415 398.122 1.00 0.00 C ATOM 120 CD ARG A 8 278.724 128.355 397.121 1.00 0.00 C ATOM 121 NE ARG A 8 279.471 127.024 397.220 1.00 0.00 N ATOM 122 CZ ARG A 8 278.874 125.980 397.872 1.00 0.00 C ATOM 123 NH1 ARG A 8 277.890 126.192 398.788 1.00 0.00 N1+ ATOM 124 NH2 ARG A 8 279.288 124.717 397.572 1.00 0.00 N ATOM 0 H ARG A 8 280.504 130.717 399.687 1.00 0.00 H new ATOM 0 HA ARG A 8 279.151 132.711 398.282 1.00 0.00 H new ATOM 0 HB2 ARG A 8 277.369 130.497 398.320 1.00 0.00 H new ATOM 0 HB3 ARG A 8 278.391 131.064 397.014 1.00 0.00 H new ATOM 0 HG2 ARG A 8 280.268 129.635 397.925 1.00 0.00 H new ATOM 0 HG3 ARG A 8 279.163 129.011 399.133 1.00 0.00 H new ATOM 0 HD2 ARG A 8 277.661 128.179 397.287 1.00 0.00 H new ATOM 0 HD3 ARG A 8 278.828 128.746 396.109 1.00 0.00 H new ATOM 0 HE ARG A 8 280.398 126.917 396.807 1.00 0.00 H new ATOM 0 HH11 ARG A 8 277.586 127.142 398.999 1.00 0.00 H new ATOM 0 HH12 ARG A 8 277.457 125.400 399.264 1.00 0.00 H new ATOM 0 HH21 ARG A 8 280.023 124.572 396.879 1.00 0.00 H new ATOM 0 HH22 ARG A 8 278.863 123.916 398.040 1.00 0.00 H new ATOM 138 N THR A 9 277.785 132.061 401.119 1.00 0.00 N ATOM 139 CA THR A 9 276.829 132.567 402.098 1.00 0.00 C ATOM 140 C THR A 9 277.210 133.898 402.720 1.00 0.00 C ATOM 141 O THR A 9 276.304 134.660 403.045 1.00 0.00 O ATOM 142 CB THR A 9 276.422 131.496 403.096 1.00 0.00 C ATOM 143 OG1 THR A 9 275.154 131.752 403.701 1.00 0.00 O ATOM 144 CG2 THR A 9 277.428 131.270 404.234 1.00 0.00 C ATOM 0 H THR A 9 278.430 131.371 401.503 1.00 0.00 H new ATOM 0 HA THR A 9 275.927 132.814 401.539 1.00 0.00 H new ATOM 0 HB THR A 9 276.379 130.599 402.478 1.00 0.00 H new ATOM 0 HG1 THR A 9 275.001 132.719 403.744 1.00 0.00 H new ATOM 0 HG21 THR A 9 277.057 130.489 404.898 1.00 0.00 H new ATOM 0 HG22 THR A 9 278.387 130.965 403.816 1.00 0.00 H new ATOM 0 HG23 THR A 9 277.555 132.195 404.797 1.00 0.00 H new ATOM 152 N ILE A 10 278.525 134.216 402.903 1.00 0.00 N ATOM 153 CA ILE A 10 278.972 135.513 403.396 1.00 0.00 C ATOM 154 C ILE A 10 279.404 136.505 402.276 1.00 0.00 C ATOM 155 O ILE A 10 279.227 137.708 402.474 1.00 0.00 O ATOM 156 CB ILE A 10 280.054 135.368 404.495 1.00 0.00 C ATOM 157 CG1 ILE A 10 279.564 134.583 405.751 1.00 0.00 C ATOM 158 CG2 ILE A 10 280.518 136.744 405.037 1.00 0.00 C ATOM 159 CD1 ILE A 10 280.077 133.149 405.944 1.00 0.00 C ATOM 0 H ILE A 10 279.288 133.568 402.707 1.00 0.00 H new ATOM 0 HA ILE A 10 278.093 135.968 403.853 1.00 0.00 H new ATOM 0 HB ILE A 10 280.858 134.829 403.993 1.00 0.00 H new ATOM 0 HG12 ILE A 10 279.839 135.159 406.634 1.00 0.00 H new ATOM 0 HG13 ILE A 10 278.475 134.548 405.720 1.00 0.00 H new ATOM 0 HG21 ILE A 10 281.277 136.595 405.805 1.00 0.00 H new ATOM 0 HG22 ILE A 10 280.938 137.333 404.222 1.00 0.00 H new ATOM 0 HG23 ILE A 10 279.666 137.272 405.466 1.00 0.00 H new ATOM 0 HD11 ILE A 10 279.653 132.731 406.857 1.00 0.00 H new ATOM 0 HD12 ILE A 10 279.779 132.538 405.092 1.00 0.00 H new ATOM 0 HD13 ILE A 10 281.164 133.159 406.020 1.00 0.00 H new ATOM 171 N PHE A 11 280.013 136.123 401.097 1.00 0.00 N ATOM 172 CA PHE A 11 280.608 137.154 400.201 1.00 0.00 C ATOM 173 C PHE A 11 279.919 137.229 398.841 1.00 0.00 C ATOM 174 O PHE A 11 279.739 138.312 398.279 1.00 0.00 O ATOM 175 CB PHE A 11 282.179 137.120 400.166 1.00 0.00 C ATOM 176 CG PHE A 11 282.722 137.290 401.565 1.00 0.00 C ATOM 177 CD1 PHE A 11 282.742 138.538 402.160 1.00 0.00 C ATOM 178 CD2 PHE A 11 283.158 136.194 402.296 1.00 0.00 C ATOM 179 CE1 PHE A 11 283.203 138.692 403.452 1.00 0.00 C ATOM 180 CE2 PHE A 11 283.621 136.341 403.594 1.00 0.00 C ATOM 181 CZ PHE A 11 283.661 137.600 404.164 1.00 0.00 C ATOM 0 H PHE A 11 280.097 135.161 400.769 1.00 0.00 H new ATOM 0 HA PHE A 11 280.391 138.121 400.655 1.00 0.00 H new ATOM 0 HB2 PHE A 11 282.523 136.176 399.744 1.00 0.00 H new ATOM 0 HB3 PHE A 11 282.555 137.913 399.520 1.00 0.00 H new ATOM 0 HD1 PHE A 11 282.394 139.399 401.609 1.00 0.00 H new ATOM 0 HD2 PHE A 11 283.136 135.212 401.847 1.00 0.00 H new ATOM 0 HE1 PHE A 11 283.206 139.671 403.909 1.00 0.00 H new ATOM 0 HE2 PHE A 11 283.948 135.479 404.156 1.00 0.00 H new ATOM 0 HZ PHE A 11 284.049 137.730 405.163 1.00 0.00 H new ATOM 191 N GLY A 12 279.382 136.080 398.363 1.00 0.00 N ATOM 192 CA GLY A 12 278.312 136.052 397.359 1.00 0.00 C ATOM 193 C GLY A 12 278.615 135.489 395.998 1.00 0.00 C ATOM 194 O GLY A 12 278.501 134.284 395.784 1.00 0.00 O ATOM 0 H GLY A 12 279.683 135.154 398.667 1.00 0.00 H new ATOM 0 HA2 GLY A 12 277.482 135.481 397.776 1.00 0.00 H new ATOM 0 HA3 GLY A 12 277.959 137.074 397.223 1.00 0.00 H new ATOM 198 N GLU A 13 278.944 136.360 395.007 1.00 0.00 N ATOM 199 CA GLU A 13 279.070 136.048 393.580 1.00 0.00 C ATOM 200 C GLU A 13 280.274 135.250 393.072 1.00 0.00 C ATOM 201 O GLU A 13 280.163 134.523 392.089 1.00 0.00 O ATOM 202 CB GLU A 13 278.912 137.357 392.752 1.00 0.00 C ATOM 203 CG GLU A 13 279.985 138.433 393.019 1.00 0.00 C ATOM 204 CD GLU A 13 279.677 139.682 392.194 1.00 0.00 C ATOM 205 OE1 GLU A 13 279.418 140.752 392.809 1.00 0.00 O ATOM 206 OE2 GLU A 13 279.699 139.584 390.938 1.00 0.00 O1- ATOM 0 H GLU A 13 279.135 137.342 395.204 1.00 0.00 H new ATOM 0 HA GLU A 13 278.263 135.331 393.432 1.00 0.00 H new ATOM 0 HB2 GLU A 13 278.930 137.103 391.692 1.00 0.00 H new ATOM 0 HB3 GLU A 13 277.931 137.784 392.960 1.00 0.00 H new ATOM 0 HG2 GLU A 13 280.008 138.682 394.080 1.00 0.00 H new ATOM 0 HG3 GLU A 13 280.972 138.049 392.761 1.00 0.00 H new ATOM 213 N LYS A 14 281.456 135.368 393.710 1.00 0.00 N ATOM 214 CA LYS A 14 282.659 134.659 393.307 1.00 0.00 C ATOM 215 C LYS A 14 283.463 134.629 394.575 1.00 0.00 C ATOM 216 O LYS A 14 283.043 135.214 395.573 1.00 0.00 O ATOM 217 CB LYS A 14 283.453 135.336 392.142 1.00 0.00 C ATOM 218 CG LYS A 14 284.364 134.360 391.362 1.00 0.00 C ATOM 219 CD LYS A 14 285.731 134.939 390.963 1.00 0.00 C ATOM 220 CE LYS A 14 286.580 133.959 390.138 1.00 0.00 C ATOM 221 NZ LYS A 14 285.965 133.671 388.821 1.00 0.00 N1+ ATOM 0 H LYS A 14 281.590 135.967 394.525 1.00 0.00 H new ATOM 0 HA LYS A 14 282.424 133.677 392.896 1.00 0.00 H new ATOM 0 HB2 LYS A 14 282.746 135.792 391.449 1.00 0.00 H new ATOM 0 HB3 LYS A 14 284.063 136.142 392.550 1.00 0.00 H new ATOM 0 HG2 LYS A 14 284.525 133.470 391.970 1.00 0.00 H new ATOM 0 HG3 LYS A 14 283.843 134.040 390.460 1.00 0.00 H new ATOM 0 HD2 LYS A 14 285.579 135.852 390.388 1.00 0.00 H new ATOM 0 HD3 LYS A 14 286.279 135.217 391.864 1.00 0.00 H new ATOM 0 HE2 LYS A 14 287.576 134.376 389.990 1.00 0.00 H new ATOM 0 HE3 LYS A 14 286.703 133.029 390.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 286.634 133.132 388.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 285.097 133.114 388.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 285.731 134.565 388.344 1.00 0.00 H new ATOM 235 N LEU A 15 284.645 133.972 394.599 1.00 0.00 N ATOM 236 CA LEU A 15 285.480 133.864 395.784 1.00 0.00 C ATOM 237 C LEU A 15 286.336 135.111 396.023 1.00 0.00 C ATOM 238 O LEU A 15 286.870 135.671 395.063 1.00 0.00 O ATOM 239 CB LEU A 15 286.420 132.658 395.637 1.00 0.00 C ATOM 240 CG LEU A 15 285.680 131.325 395.573 1.00 0.00 C ATOM 241 CD1 LEU A 15 286.597 130.269 394.983 1.00 0.00 C ATOM 242 CD2 LEU A 15 285.223 130.894 396.961 1.00 0.00 C ATOM 0 H LEU A 15 285.036 133.503 393.782 1.00 0.00 H new ATOM 0 HA LEU A 15 284.808 133.747 396.634 1.00 0.00 H new ATOM 0 HB2 LEU A 15 287.017 132.779 394.733 1.00 0.00 H new ATOM 0 HB3 LEU A 15 287.114 132.641 396.478 1.00 0.00 H new ATOM 0 HG LEU A 15 284.799 131.442 394.943 1.00 0.00 H new ATOM 0 HD11 LEU A 15 286.071 129.315 394.936 1.00 0.00 H new ATOM 0 HD12 LEU A 15 286.897 130.568 393.979 1.00 0.00 H new ATOM 0 HD13 LEU A 15 287.482 130.164 395.610 1.00 0.00 H new ATOM 0 HD21 LEU A 15 284.698 129.941 396.892 1.00 0.00 H new ATOM 0 HD22 LEU A 15 286.090 130.784 397.612 1.00 0.00 H new ATOM 0 HD23 LEU A 15 284.553 131.648 397.374 1.00 0.00 H new ATOM 254 N PRO A 16 286.522 135.562 397.263 1.00 0.00 N ATOM 255 CA PRO A 16 287.235 136.781 397.550 1.00 0.00 C ATOM 256 C PRO A 16 288.736 136.602 397.714 1.00 0.00 C ATOM 257 O PRO A 16 289.298 135.512 397.636 1.00 0.00 O ATOM 258 CB PRO A 16 286.618 137.164 398.890 1.00 0.00 C ATOM 259 CG PRO A 16 286.451 135.828 399.623 1.00 0.00 C ATOM 260 CD PRO A 16 285.968 134.956 398.475 1.00 0.00 C ATOM 0 HA PRO A 16 287.145 137.510 396.744 1.00 0.00 H new ATOM 0 HB2 PRO A 16 287.263 137.845 399.445 1.00 0.00 H new ATOM 0 HB3 PRO A 16 285.661 137.668 398.758 1.00 0.00 H new ATOM 0 HG2 PRO A 16 287.386 135.469 400.054 1.00 0.00 H new ATOM 0 HG3 PRO A 16 285.727 135.886 400.436 1.00 0.00 H new ATOM 0 HD2 PRO A 16 286.311 133.928 398.592 1.00 0.00 H new ATOM 0 HD3 PRO A 16 284.879 134.926 398.436 1.00 0.00 H new ATOM 268 N GLU A 17 289.353 137.760 398.006 1.00 0.00 N ATOM 269 CA GLU A 17 290.732 138.036 398.276 1.00 0.00 C ATOM 270 C GLU A 17 291.166 137.501 399.635 1.00 0.00 C ATOM 271 O GLU A 17 290.391 137.344 400.581 1.00 0.00 O ATOM 272 CB GLU A 17 290.922 139.570 398.268 1.00 0.00 C ATOM 273 CG GLU A 17 290.596 140.268 396.926 1.00 0.00 C ATOM 274 CD GLU A 17 289.093 140.444 396.685 1.00 0.00 C ATOM 275 OE1 GLU A 17 288.594 139.934 395.645 1.00 0.00 O ATOM 276 OE2 GLU A 17 288.428 141.092 397.537 1.00 0.00 O1- ATOM 0 H GLU A 17 288.805 138.619 398.059 1.00 0.00 H new ATOM 0 HA GLU A 17 291.338 137.546 397.514 1.00 0.00 H new ATOM 0 HB2 GLU A 17 290.292 140.002 399.046 1.00 0.00 H new ATOM 0 HB3 GLU A 17 291.955 139.793 398.534 1.00 0.00 H new ATOM 0 HG2 GLU A 17 291.077 141.246 396.907 1.00 0.00 H new ATOM 0 HG3 GLU A 17 291.023 139.686 396.109 1.00 0.00 H new ATOM 283 N SER A 18 292.466 137.224 399.761 1.00 0.00 N ATOM 284 CA SER A 18 293.144 136.610 400.880 1.00 0.00 C ATOM 285 C SER A 18 293.207 137.353 402.200 1.00 0.00 C ATOM 286 O SER A 18 293.372 136.712 403.233 1.00 0.00 O ATOM 287 CB SER A 18 294.480 136.049 400.417 1.00 0.00 C ATOM 288 OG SER A 18 295.177 137.089 399.742 1.00 0.00 O ATOM 0 H SER A 18 293.119 137.448 399.010 1.00 0.00 H new ATOM 0 HA SER A 18 292.478 135.803 401.187 1.00 0.00 H new ATOM 0 HB2 SER A 18 295.059 135.690 401.268 1.00 0.00 H new ATOM 0 HB3 SER A 18 294.328 135.198 399.753 1.00 0.00 H new ATOM 0 HG SER A 18 296.045 136.754 399.434 1.00 0.00 H new ATOM 294 N HIS A 19 293.050 138.715 402.212 1.00 0.00 N ATOM 295 CA HIS A 19 292.949 139.576 403.409 1.00 0.00 C ATOM 296 C HIS A 19 291.709 139.247 404.250 1.00 0.00 C ATOM 297 O HIS A 19 291.791 139.074 405.461 1.00 0.00 O ATOM 298 CB HIS A 19 293.005 141.101 403.088 1.00 0.00 C ATOM 299 CG HIS A 19 291.909 141.590 402.175 1.00 0.00 C ATOM 300 ND1 HIS A 19 290.632 141.965 402.469 1.00 0.00 N flip ATOM 301 CD2 HIS A 19 291.999 141.615 400.801 1.00 0.00 C flip ATOM 302 CE1 HIS A 19 289.913 142.181 401.309 1.00 0.00 C flip ATOM 303 NE2 HIS A 19 290.775 141.976 400.338 1.00 0.00 N flip ATOM 0 H HIS A 19 292.989 139.252 401.347 1.00 0.00 H new ATOM 0 HA HIS A 19 293.837 139.348 403.999 1.00 0.00 H new ATOM 0 HB2 HIS A 19 292.956 141.658 404.024 1.00 0.00 H new ATOM 0 HB3 HIS A 19 293.969 141.328 402.632 1.00 0.00 H new ATOM 0 HD1 HIS A 19 290.260 142.071 403.413 1.00 0.00 H new ATOM 0 HD2 HIS A 19 292.873 141.391 400.207 1.00 0.00 H new ATOM 0 HE1 HIS A 19 288.873 142.457 401.220 1.00 0.00 H new ATOM 311 N ILE A 20 290.527 139.051 403.583 1.00 0.00 N ATOM 312 CA ILE A 20 289.364 138.410 404.215 1.00 0.00 C ATOM 313 C ILE A 20 289.484 136.898 404.297 1.00 0.00 C ATOM 314 O ILE A 20 289.147 136.329 405.338 1.00 0.00 O ATOM 315 CB ILE A 20 287.964 138.737 403.675 1.00 0.00 C ATOM 316 CG1 ILE A 20 287.744 138.465 402.177 1.00 0.00 C ATOM 317 CG2 ILE A 20 287.593 140.202 403.928 1.00 0.00 C ATOM 318 CD1 ILE A 20 286.247 138.325 401.916 1.00 0.00 C ATOM 0 H ILE A 20 290.372 139.332 402.615 1.00 0.00 H new ATOM 0 HA ILE A 20 289.420 138.878 405.198 1.00 0.00 H new ATOM 0 HB ILE A 20 287.325 138.050 404.230 1.00 0.00 H new ATOM 0 HG12 ILE A 20 288.156 139.279 401.581 1.00 0.00 H new ATOM 0 HG13 ILE A 20 288.266 137.556 401.878 1.00 0.00 H new ATOM 0 HG21 ILE A 20 286.596 140.398 403.533 1.00 0.00 H new ATOM 0 HG22 ILE A 20 287.604 140.400 405.000 1.00 0.00 H new ATOM 0 HG23 ILE A 20 288.314 140.851 403.431 1.00 0.00 H new ATOM 0 HD11 ILE A 20 286.079 138.132 400.857 1.00 0.00 H new ATOM 0 HD12 ILE A 20 285.851 137.496 402.503 1.00 0.00 H new ATOM 0 HD13 ILE A 20 285.740 139.247 402.202 1.00 0.00 H new ATOM 330 N PHE A 21 289.965 136.194 403.211 1.00 0.00 N ATOM 331 CA PHE A 21 290.030 134.726 403.152 1.00 0.00 C ATOM 332 C PHE A 21 290.972 134.116 404.234 1.00 0.00 C ATOM 333 O PHE A 21 290.533 133.247 404.980 1.00 0.00 O ATOM 334 CB PHE A 21 290.123 134.197 401.654 1.00 0.00 C ATOM 335 CG PHE A 21 289.591 132.802 401.309 1.00 0.00 C ATOM 336 CD1 PHE A 21 289.308 132.429 399.990 1.00 0.00 C ATOM 337 CD2 PHE A 21 289.427 131.816 402.259 1.00 0.00 C ATOM 338 CE1 PHE A 21 288.994 131.105 399.688 1.00 0.00 C ATOM 339 CE2 PHE A 21 289.316 130.499 401.923 1.00 0.00 C ATOM 340 CZ PHE A 21 289.119 130.114 400.639 1.00 0.00 C ATOM 0 H PHE A 21 290.312 136.649 402.366 1.00 0.00 H new ATOM 0 HA PHE A 21 289.077 134.303 403.471 1.00 0.00 H new ATOM 0 HB2 PHE A 21 289.596 134.912 401.022 1.00 0.00 H new ATOM 0 HB3 PHE A 21 291.173 134.227 401.362 1.00 0.00 H new ATOM 0 HD1 PHE A 21 289.333 133.169 399.204 1.00 0.00 H new ATOM 0 HD2 PHE A 21 289.385 132.095 403.301 1.00 0.00 H new ATOM 0 HE1 PHE A 21 288.648 130.852 398.697 1.00 0.00 H new ATOM 0 HE2 PHE A 21 289.387 129.748 402.696 1.00 0.00 H new ATOM 0 HZ PHE A 21 289.062 129.070 400.370 1.00 0.00 H new ATOM 350 N PHE A 22 292.238 134.583 404.433 1.00 0.00 N ATOM 351 CA PHE A 22 293.135 134.102 405.503 1.00 0.00 C ATOM 352 C PHE A 22 292.798 134.617 406.928 1.00 0.00 C ATOM 353 O PHE A 22 293.188 133.977 407.902 1.00 0.00 O ATOM 354 CB PHE A 22 294.663 134.402 405.219 1.00 0.00 C ATOM 355 CG PHE A 22 295.270 133.404 404.249 1.00 0.00 C ATOM 356 CD1 PHE A 22 295.315 132.060 404.563 1.00 0.00 C ATOM 357 CD2 PHE A 22 295.834 133.785 403.048 1.00 0.00 C ATOM 358 CE1 PHE A 22 295.612 131.105 403.613 1.00 0.00 C ATOM 359 CE2 PHE A 22 296.177 132.839 402.092 1.00 0.00 C ATOM 360 CZ PHE A 22 295.992 131.492 402.352 1.00 0.00 C ATOM 0 H PHE A 22 292.658 135.306 403.849 1.00 0.00 H new ATOM 0 HA PHE A 22 292.956 133.027 405.485 1.00 0.00 H new ATOM 0 HB2 PHE A 22 294.765 135.409 404.814 1.00 0.00 H new ATOM 0 HB3 PHE A 22 295.217 134.378 406.157 1.00 0.00 H new ATOM 0 HD1 PHE A 22 295.113 131.749 405.577 1.00 0.00 H new ATOM 0 HD2 PHE A 22 296.011 134.832 402.850 1.00 0.00 H new ATOM 0 HE1 PHE A 22 295.546 130.056 403.861 1.00 0.00 H new ATOM 0 HE2 PHE A 22 296.589 133.154 401.145 1.00 0.00 H new ATOM 0 HZ PHE A 22 296.144 130.757 401.575 1.00 0.00 H new ATOM 370 N ALA A 23 292.104 135.789 407.106 1.00 0.00 N ATOM 371 CA ALA A 23 291.885 136.383 408.431 1.00 0.00 C ATOM 372 C ALA A 23 290.461 136.424 409.000 1.00 0.00 C ATOM 373 O ALA A 23 290.306 136.630 410.202 1.00 0.00 O ATOM 374 CB ALA A 23 292.502 137.798 408.463 1.00 0.00 C ATOM 0 H ALA A 23 291.696 136.324 406.339 1.00 0.00 H new ATOM 0 HA ALA A 23 292.381 135.679 409.099 1.00 0.00 H new ATOM 0 HB1 ALA A 23 292.342 138.243 409.445 1.00 0.00 H new ATOM 0 HB2 ALA A 23 293.572 137.733 408.264 1.00 0.00 H new ATOM 0 HB3 ALA A 23 292.029 138.419 407.702 1.00 0.00 H new ATOM 380 N THR A 24 289.381 136.249 408.183 1.00 0.00 N ATOM 381 CA THR A 24 287.982 136.324 408.647 1.00 0.00 C ATOM 382 C THR A 24 287.422 134.918 408.865 1.00 0.00 C ATOM 383 O THR A 24 287.523 134.072 407.980 1.00 0.00 O ATOM 384 CB THR A 24 287.092 137.087 407.648 1.00 0.00 C ATOM 385 OG1 THR A 24 287.640 138.373 407.370 1.00 0.00 O ATOM 386 CG2 THR A 24 285.669 137.331 408.192 1.00 0.00 C ATOM 0 H THR A 24 289.467 136.052 407.186 1.00 0.00 H new ATOM 0 HA THR A 24 287.978 136.870 409.590 1.00 0.00 H new ATOM 0 HB THR A 24 287.048 136.462 406.756 1.00 0.00 H new ATOM 0 HG1 THR A 24 287.063 138.844 406.733 1.00 0.00 H new ATOM 0 HG21 THR A 24 285.083 137.872 407.449 1.00 0.00 H new ATOM 0 HG22 THR A 24 285.192 136.374 408.404 1.00 0.00 H new ATOM 0 HG23 THR A 24 285.726 137.919 409.108 1.00 0.00 H new ATOM 394 N VAL A 25 286.765 134.599 410.033 1.00 0.00 N ATOM 395 CA VAL A 25 286.183 133.273 410.415 1.00 0.00 C ATOM 396 C VAL A 25 285.169 132.701 409.430 1.00 0.00 C ATOM 397 O VAL A 25 285.129 131.495 409.200 1.00 0.00 O ATOM 398 CB VAL A 25 285.513 133.167 411.806 1.00 0.00 C ATOM 399 CG1 VAL A 25 285.581 131.709 412.330 1.00 0.00 C ATOM 400 CG2 VAL A 25 286.207 134.090 412.824 1.00 0.00 C ATOM 0 H VAL A 25 286.624 135.297 410.763 1.00 0.00 H new ATOM 0 HA VAL A 25 287.108 132.697 410.418 1.00 0.00 H new ATOM 0 HB VAL A 25 284.473 133.472 411.693 1.00 0.00 H new ATOM 0 HG11 VAL A 25 285.105 131.652 413.309 1.00 0.00 H new ATOM 0 HG12 VAL A 25 285.062 131.048 411.635 1.00 0.00 H new ATOM 0 HG13 VAL A 25 286.623 131.401 412.414 1.00 0.00 H new ATOM 0 HG21 VAL A 25 285.717 133.996 413.793 1.00 0.00 H new ATOM 0 HG22 VAL A 25 287.255 133.805 412.918 1.00 0.00 H new ATOM 0 HG23 VAL A 25 286.141 135.123 412.482 1.00 0.00 H new ATOM 410 N ALA A 26 284.399 133.613 408.746 1.00 0.00 N ATOM 411 CA ALA A 26 283.452 133.420 407.651 1.00 0.00 C ATOM 412 C ALA A 26 284.015 132.575 406.501 1.00 0.00 C ATOM 413 O ALA A 26 283.301 131.805 405.868 1.00 0.00 O ATOM 414 CB ALA A 26 283.094 134.824 407.092 1.00 0.00 C ATOM 0 H ALA A 26 284.452 134.600 408.996 1.00 0.00 H new ATOM 0 HA ALA A 26 282.588 132.886 408.047 1.00 0.00 H new ATOM 0 HB1 ALA A 26 282.386 134.719 406.270 1.00 0.00 H new ATOM 0 HB2 ALA A 26 282.646 135.427 407.882 1.00 0.00 H new ATOM 0 HB3 ALA A 26 283.999 135.314 406.731 1.00 0.00 H new ATOM 420 N ALA A 27 285.344 132.700 406.298 1.00 0.00 N ATOM 421 CA ALA A 27 286.144 131.945 405.377 1.00 0.00 C ATOM 422 C ALA A 27 287.074 130.945 406.085 1.00 0.00 C ATOM 423 O ALA A 27 287.224 129.808 405.652 1.00 0.00 O ATOM 424 CB ALA A 27 286.945 133.007 404.596 1.00 0.00 C ATOM 0 H ALA A 27 285.899 133.380 406.818 1.00 0.00 H new ATOM 0 HA ALA A 27 285.525 131.328 404.726 1.00 0.00 H new ATOM 0 HB1 ALA A 27 287.587 132.514 403.866 1.00 0.00 H new ATOM 0 HB2 ALA A 27 286.256 133.676 404.081 1.00 0.00 H new ATOM 0 HB3 ALA A 27 287.559 133.582 405.289 1.00 0.00 H new ATOM 430 N HIS A 28 287.704 131.304 407.242 1.00 0.00 N ATOM 431 CA HIS A 28 288.670 130.445 407.955 1.00 0.00 C ATOM 432 C HIS A 28 288.116 129.209 408.698 1.00 0.00 C ATOM 433 O HIS A 28 288.856 128.266 408.971 1.00 0.00 O ATOM 434 CB HIS A 28 289.610 131.259 408.877 1.00 0.00 C ATOM 435 CG HIS A 28 290.802 130.451 409.389 1.00 0.00 C ATOM 436 ND1 HIS A 28 291.483 129.374 408.872 1.00 0.00 N flip ATOM 437 CD2 HIS A 28 291.372 130.694 410.618 1.00 0.00 C flip ATOM 438 CE1 HIS A 28 292.441 128.936 409.777 1.00 0.00 C flip ATOM 439 NE2 HIS A 28 292.338 129.759 410.801 1.00 0.00 N flip ATOM 0 H HIS A 28 287.548 132.202 407.699 1.00 0.00 H new ATOM 0 HA HIS A 28 289.235 130.016 407.128 1.00 0.00 H new ATOM 0 HB2 HIS A 28 289.977 132.130 408.333 1.00 0.00 H new ATOM 0 HB3 HIS A 28 289.040 131.632 409.728 1.00 0.00 H new ATOM 0 HD1 HIS A 28 291.310 128.958 407.957 1.00 0.00 H new ATOM 0 HD2 HIS A 28 291.101 131.481 411.307 1.00 0.00 H new ATOM 0 HE1 HIS A 28 293.121 128.104 409.666 1.00 0.00 H new ATOM 447 N LYS A 29 286.782 129.136 409.015 1.00 0.00 N ATOM 448 CA LYS A 29 286.098 127.984 409.642 1.00 0.00 C ATOM 449 C LYS A 29 286.068 126.708 408.783 1.00 0.00 C ATOM 450 O LYS A 29 285.810 125.613 409.265 1.00 0.00 O ATOM 451 CB LYS A 29 284.635 128.355 410.074 1.00 0.00 C ATOM 452 CG LYS A 29 283.661 128.655 408.909 1.00 0.00 C ATOM 453 CD LYS A 29 282.360 129.443 409.180 1.00 0.00 C ATOM 454 CE LYS A 29 282.240 130.334 410.429 1.00 0.00 C ATOM 455 NZ LYS A 29 282.077 129.541 411.673 1.00 0.00 N1+ ATOM 0 H LYS A 29 286.145 129.910 408.829 1.00 0.00 H new ATOM 0 HA LYS A 29 286.704 127.754 410.518 1.00 0.00 H new ATOM 0 HB2 LYS A 29 284.228 127.534 410.665 1.00 0.00 H new ATOM 0 HB3 LYS A 29 284.676 129.227 410.726 1.00 0.00 H new ATOM 0 HG2 LYS A 29 284.220 129.202 408.150 1.00 0.00 H new ATOM 0 HG3 LYS A 29 283.377 127.699 408.469 1.00 0.00 H new ATOM 0 HD2 LYS A 29 282.180 130.077 408.312 1.00 0.00 H new ATOM 0 HD3 LYS A 29 281.546 128.719 409.220 1.00 0.00 H new ATOM 0 HE2 LYS A 29 283.129 130.959 410.513 1.00 0.00 H new ATOM 0 HE3 LYS A 29 281.388 131.004 410.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 281.490 130.071 412.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 281.616 128.636 411.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 283.011 129.359 412.094 1.00 0.00 H new ATOM 469 N TYR A 30 286.330 126.899 407.471 1.00 0.00 N ATOM 470 CA TYR A 30 286.368 125.956 406.374 1.00 0.00 C ATOM 471 C TYR A 30 287.768 125.471 405.996 1.00 0.00 C ATOM 472 O TYR A 30 288.123 124.312 406.183 1.00 0.00 O ATOM 473 CB TYR A 30 285.838 126.746 405.173 1.00 0.00 C ATOM 474 CG TYR A 30 284.378 126.904 405.236 1.00 0.00 C ATOM 475 CD1 TYR A 30 283.833 128.076 405.705 1.00 0.00 C ATOM 476 CD2 TYR A 30 283.575 125.952 404.652 1.00 0.00 C ATOM 477 CE1 TYR A 30 282.473 128.199 405.774 1.00 0.00 C ATOM 478 CE2 TYR A 30 282.220 126.143 404.597 1.00 0.00 C ATOM 479 CZ TYR A 30 281.676 127.189 405.302 1.00 0.00 C ATOM 480 OH TYR A 30 280.298 127.316 405.475 1.00 0.00 O ATOM 0 H TYR A 30 286.543 127.838 407.135 1.00 0.00 H new ATOM 0 HA TYR A 30 285.801 125.069 406.659 1.00 0.00 H new ATOM 0 HB2 TYR A 30 286.311 127.728 405.144 1.00 0.00 H new ATOM 0 HB3 TYR A 30 286.110 126.234 404.250 1.00 0.00 H new ATOM 0 HD1 TYR A 30 284.472 128.890 406.015 1.00 0.00 H new ATOM 0 HD2 TYR A 30 284.012 125.056 404.238 1.00 0.00 H new ATOM 0 HE1 TYR A 30 282.029 129.087 406.198 1.00 0.00 H new ATOM 0 HE2 TYR A 30 281.593 125.486 404.012 1.00 0.00 H new ATOM 0 HH TYR A 30 280.037 126.914 406.330 1.00 0.00 H new ATOM 490 N VAL A 31 288.563 126.384 405.380 1.00 0.00 N ATOM 491 CA VAL A 31 289.935 126.267 404.913 1.00 0.00 C ATOM 492 C VAL A 31 290.338 127.708 404.901 1.00 0.00 C ATOM 493 O VAL A 31 289.459 128.502 404.591 1.00 0.00 O ATOM 494 CB VAL A 31 290.204 125.731 403.474 1.00 0.00 C ATOM 495 CG1 VAL A 31 289.163 124.684 403.057 1.00 0.00 C ATOM 496 CG2 VAL A 31 290.559 126.720 402.321 1.00 0.00 C ATOM 0 H VAL A 31 288.200 127.317 405.186 1.00 0.00 H new ATOM 0 HA VAL A 31 290.453 125.544 405.543 1.00 0.00 H new ATOM 0 HB VAL A 31 291.181 125.268 403.612 1.00 0.00 H new ATOM 0 HG11 VAL A 31 289.383 124.334 402.049 1.00 0.00 H new ATOM 0 HG12 VAL A 31 289.196 123.842 403.749 1.00 0.00 H new ATOM 0 HG13 VAL A 31 288.169 125.131 403.077 1.00 0.00 H new ATOM 0 HG21 VAL A 31 290.711 126.162 401.397 1.00 0.00 H new ATOM 0 HG22 VAL A 31 289.743 127.430 402.186 1.00 0.00 H new ATOM 0 HG23 VAL A 31 291.472 127.260 402.573 1.00 0.00 H new ATOM 506 N PRO A 32 291.540 128.153 405.201 1.00 0.00 N ATOM 507 CA PRO A 32 291.882 129.560 405.071 1.00 0.00 C ATOM 508 C PRO A 32 292.203 130.092 403.659 1.00 0.00 C ATOM 509 O PRO A 32 291.886 131.240 403.420 1.00 0.00 O ATOM 510 CB PRO A 32 293.122 129.647 405.979 1.00 0.00 C ATOM 511 CG PRO A 32 293.736 128.242 406.084 1.00 0.00 C ATOM 512 CD PRO A 32 292.546 127.328 405.863 1.00 0.00 C ATOM 0 HA PRO A 32 291.026 130.183 405.331 1.00 0.00 H new ATOM 0 HB2 PRO A 32 293.847 130.349 405.567 1.00 0.00 H new ATOM 0 HB3 PRO A 32 292.846 130.016 406.967 1.00 0.00 H new ATOM 0 HG2 PRO A 32 294.511 128.084 405.334 1.00 0.00 H new ATOM 0 HG3 PRO A 32 294.197 128.075 407.058 1.00 0.00 H new ATOM 0 HD2 PRO A 32 292.818 126.471 405.247 1.00 0.00 H new ATOM 0 HD3 PRO A 32 292.172 126.935 406.808 1.00 0.00 H new ATOM 520 N SER A 33 292.873 129.349 402.753 1.00 0.00 N ATOM 521 CA SER A 33 293.254 129.760 401.394 1.00 0.00 C ATOM 522 C SER A 33 293.996 128.677 400.635 1.00 0.00 C ATOM 523 O SER A 33 294.067 127.525 401.088 1.00 0.00 O ATOM 524 CB SER A 33 293.260 131.247 400.826 1.00 0.00 C ATOM 525 OG SER A 33 292.353 131.435 399.729 1.00 0.00 O ATOM 0 H SER A 33 293.176 128.398 402.965 1.00 0.00 H new ATOM 0 HA SER A 33 292.236 130.019 401.102 1.00 0.00 H new ATOM 0 HB2 SER A 33 292.998 131.937 401.628 1.00 0.00 H new ATOM 0 HB3 SER A 33 294.269 131.502 400.503 1.00 0.00 H new ATOM 0 HG SER A 33 291.482 131.726 400.071 1.00 0.00 H new ATOM 531 N TYR A 34 294.498 128.997 399.399 1.00 0.00 N ATOM 532 CA TYR A 34 295.184 128.222 398.328 1.00 0.00 C ATOM 533 C TYR A 34 296.274 127.231 398.772 1.00 0.00 C ATOM 534 O TYR A 34 296.594 126.270 398.088 1.00 0.00 O ATOM 535 CB TYR A 34 295.821 129.201 397.288 1.00 0.00 C ATOM 536 CG TYR A 34 294.984 130.434 397.047 1.00 0.00 C ATOM 537 CD1 TYR A 34 295.261 131.560 397.800 1.00 0.00 C ATOM 538 CD2 TYR A 34 293.981 130.492 396.084 1.00 0.00 C ATOM 539 CE1 TYR A 34 294.521 132.705 397.625 1.00 0.00 C ATOM 540 CE2 TYR A 34 293.257 131.657 395.866 1.00 0.00 C ATOM 541 CZ TYR A 34 293.533 132.748 396.676 1.00 0.00 C ATOM 542 OH TYR A 34 292.946 133.990 396.402 1.00 0.00 O ATOM 0 H TYR A 34 294.411 129.966 399.091 1.00 0.00 H new ATOM 0 HA TYR A 34 294.385 127.610 397.910 1.00 0.00 H new ATOM 0 HB2 TYR A 34 296.808 129.502 397.638 1.00 0.00 H new ATOM 0 HB3 TYR A 34 295.964 128.676 396.344 1.00 0.00 H new ATOM 0 HD1 TYR A 34 296.060 131.540 398.527 1.00 0.00 H new ATOM 0 HD2 TYR A 34 293.761 129.614 395.495 1.00 0.00 H new ATOM 0 HE1 TYR A 34 294.719 133.573 398.237 1.00 0.00 H new ATOM 0 HE2 TYR A 34 292.505 131.711 395.093 1.00 0.00 H new ATOM 0 HH TYR A 34 293.316 134.350 395.569 1.00 0.00 H new ATOM 552 N ALA A 35 296.806 127.423 399.997 1.00 0.00 N ATOM 553 CA ALA A 35 297.709 126.564 400.738 1.00 0.00 C ATOM 554 C ALA A 35 297.052 125.316 401.326 1.00 0.00 C ATOM 555 O ALA A 35 297.557 124.212 401.165 1.00 0.00 O ATOM 556 CB ALA A 35 298.300 127.407 401.892 1.00 0.00 C ATOM 0 H ALA A 35 296.584 128.265 400.528 1.00 0.00 H new ATOM 0 HA ALA A 35 298.464 126.203 400.040 1.00 0.00 H new ATOM 0 HB1 ALA A 35 298.987 126.794 402.475 1.00 0.00 H new ATOM 0 HB2 ALA A 35 298.836 128.262 401.480 1.00 0.00 H new ATOM 0 HB3 ALA A 35 297.494 127.760 402.535 1.00 0.00 H new ATOM 562 N PHE A 36 295.838 125.451 401.955 1.00 0.00 N ATOM 563 CA PHE A 36 294.973 124.345 402.383 1.00 0.00 C ATOM 564 C PHE A 36 294.330 123.794 401.109 1.00 0.00 C ATOM 565 O PHE A 36 294.345 122.591 400.857 1.00 0.00 O ATOM 566 CB PHE A 36 293.876 124.729 403.460 1.00 0.00 C ATOM 567 CG PHE A 36 292.984 123.529 403.874 1.00 0.00 C ATOM 568 CD1 PHE A 36 291.975 123.031 403.044 1.00 0.00 C ATOM 569 CD2 PHE A 36 293.131 122.910 405.103 1.00 0.00 C ATOM 570 CE1 PHE A 36 291.129 122.010 403.414 1.00 0.00 C ATOM 571 CE2 PHE A 36 292.289 121.878 405.486 1.00 0.00 C ATOM 572 CZ PHE A 36 291.282 121.431 404.650 1.00 0.00 C ATOM 0 H PHE A 36 295.442 126.365 402.175 1.00 0.00 H new ATOM 0 HA PHE A 36 295.583 123.605 402.901 1.00 0.00 H new ATOM 0 HB2 PHE A 36 294.369 125.130 404.345 1.00 0.00 H new ATOM 0 HB3 PHE A 36 293.245 125.522 403.060 1.00 0.00 H new ATOM 0 HD1 PHE A 36 291.853 123.469 402.064 1.00 0.00 H new ATOM 0 HD2 PHE A 36 293.913 123.236 405.773 1.00 0.00 H new ATOM 0 HE1 PHE A 36 290.356 121.669 402.742 1.00 0.00 H new ATOM 0 HE2 PHE A 36 292.421 121.415 406.453 1.00 0.00 H new ATOM 0 HZ PHE A 36 290.623 120.635 404.966 1.00 0.00 H new ATOM 582 N LEU A 37 293.757 124.697 400.252 1.00 0.00 N ATOM 583 CA LEU A 37 293.111 124.253 399.010 1.00 0.00 C ATOM 584 C LEU A 37 293.995 123.582 397.938 1.00 0.00 C ATOM 585 O LEU A 37 293.533 122.610 397.359 1.00 0.00 O ATOM 586 CB LEU A 37 291.965 125.162 398.471 1.00 0.00 C ATOM 587 CG LEU A 37 292.251 126.647 398.298 1.00 0.00 C ATOM 588 CD1 LEU A 37 292.354 127.008 396.811 1.00 0.00 C ATOM 589 CD2 LEU A 37 291.293 127.631 398.974 1.00 0.00 C ATOM 0 H LEU A 37 293.737 125.705 400.407 1.00 0.00 H new ATOM 0 HA LEU A 37 292.574 123.382 399.387 1.00 0.00 H new ATOM 0 HB2 LEU A 37 291.653 124.767 397.504 1.00 0.00 H new ATOM 0 HB3 LEU A 37 291.115 125.062 399.146 1.00 0.00 H new ATOM 0 HG LEU A 37 293.198 126.770 398.823 1.00 0.00 H new ATOM 0 HD11 LEU A 37 292.559 128.074 396.709 1.00 0.00 H new ATOM 0 HD12 LEU A 37 293.162 126.438 396.353 1.00 0.00 H new ATOM 0 HD13 LEU A 37 291.414 126.770 396.313 1.00 0.00 H new ATOM 0 HD21 LEU A 37 291.615 128.652 398.769 1.00 0.00 H new ATOM 0 HD22 LEU A 37 290.286 127.483 398.585 1.00 0.00 H new ATOM 0 HD23 LEU A 37 291.295 127.460 400.050 1.00 0.00 H new ATOM 601 N ARG A 38 295.295 123.952 397.689 1.00 0.00 N ATOM 602 CA ARG A 38 296.131 123.201 396.722 1.00 0.00 C ATOM 603 C ARG A 38 296.575 121.823 397.213 1.00 0.00 C ATOM 604 O ARG A 38 296.604 120.854 396.460 1.00 0.00 O ATOM 605 CB ARG A 38 297.373 124.037 396.316 1.00 0.00 C ATOM 606 CG ARG A 38 298.426 123.379 395.406 1.00 0.00 C ATOM 607 CD ARG A 38 299.349 124.441 394.794 1.00 0.00 C ATOM 608 NE ARG A 38 300.522 123.783 394.126 1.00 0.00 N ATOM 609 CZ ARG A 38 301.473 124.496 393.443 1.00 0.00 C ATOM 610 NH1 ARG A 38 301.366 125.849 393.300 1.00 0.00 N1+ ATOM 611 NH2 ARG A 38 302.535 123.840 392.890 1.00 0.00 N ATOM 0 H ARG A 38 295.763 124.741 398.135 1.00 0.00 H new ATOM 0 HA ARG A 38 295.491 123.026 395.858 1.00 0.00 H new ATOM 0 HB2 ARG A 38 297.019 124.939 395.817 1.00 0.00 H new ATOM 0 HB3 ARG A 38 297.874 124.354 397.230 1.00 0.00 H new ATOM 0 HG2 ARG A 38 299.015 122.664 395.980 1.00 0.00 H new ATOM 0 HG3 ARG A 38 297.930 122.819 394.613 1.00 0.00 H new ATOM 0 HD2 ARG A 38 298.797 125.040 394.070 1.00 0.00 H new ATOM 0 HD3 ARG A 38 299.698 125.122 395.570 1.00 0.00 H new ATOM 0 HE ARG A 38 300.614 122.769 394.183 1.00 0.00 H new ATOM 0 HH11 ARG A 38 300.570 126.343 393.704 1.00 0.00 H new ATOM 0 HH12 ARG A 38 302.082 126.366 392.789 1.00 0.00 H new ATOM 0 HH21 ARG A 38 302.616 122.828 392.987 1.00 0.00 H new ATOM 0 HH22 ARG A 38 303.248 124.362 392.380 1.00 0.00 H new ATOM 625 N ARG A 39 296.881 121.716 398.535 1.00 0.00 N ATOM 626 CA ARG A 39 297.207 120.499 399.271 1.00 0.00 C ATOM 627 C ARG A 39 296.004 119.554 399.442 1.00 0.00 C ATOM 628 O ARG A 39 296.168 118.336 399.453 1.00 0.00 O ATOM 629 CB ARG A 39 297.904 120.830 400.624 1.00 0.00 C ATOM 630 CG ARG A 39 299.410 121.187 400.513 1.00 0.00 C ATOM 631 CD ARG A 39 299.783 122.281 399.495 1.00 0.00 C ATOM 632 NE ARG A 39 301.249 122.592 399.614 1.00 0.00 N ATOM 633 CZ ARG A 39 301.859 123.580 398.885 1.00 0.00 C ATOM 634 NH1 ARG A 39 301.144 124.349 398.013 1.00 0.00 N1+ ATOM 635 NH2 ARG A 39 303.198 123.795 399.034 1.00 0.00 N ATOM 0 H ARG A 39 296.903 122.539 399.138 1.00 0.00 H new ATOM 0 HA ARG A 39 297.921 119.945 398.662 1.00 0.00 H new ATOM 0 HB2 ARG A 39 297.381 121.665 401.091 1.00 0.00 H new ATOM 0 HB3 ARG A 39 297.797 119.974 401.290 1.00 0.00 H new ATOM 0 HG2 ARG A 39 299.759 121.502 401.496 1.00 0.00 H new ATOM 0 HG3 ARG A 39 299.958 120.280 400.256 1.00 0.00 H new ATOM 0 HD2 ARG A 39 299.551 121.947 398.484 1.00 0.00 H new ATOM 0 HD3 ARG A 39 299.193 123.179 399.677 1.00 0.00 H new ATOM 0 HE ARG A 39 301.813 122.045 400.264 1.00 0.00 H new ATOM 0 HH11 ARG A 39 300.143 124.192 397.897 1.00 0.00 H new ATOM 0 HH12 ARG A 39 301.611 125.081 397.477 1.00 0.00 H new ATOM 0 HH21 ARG A 39 303.737 123.223 399.684 1.00 0.00 H new ATOM 0 HH22 ARG A 39 303.660 124.528 398.496 1.00 0.00 H new ATOM 649 N GLU A 40 294.766 120.107 399.610 1.00 0.00 N ATOM 650 CA GLU A 40 293.523 119.348 399.729 1.00 0.00 C ATOM 651 C GLU A 40 292.824 118.990 398.405 1.00 0.00 C ATOM 652 O GLU A 40 292.185 117.943 398.324 1.00 0.00 O ATOM 653 CB GLU A 40 292.573 120.034 400.751 1.00 0.00 C ATOM 654 CG GLU A 40 291.448 119.139 401.325 1.00 0.00 C ATOM 655 CD GLU A 40 290.163 119.224 400.502 1.00 0.00 C ATOM 656 OE1 GLU A 40 289.665 118.158 400.052 1.00 0.00 O ATOM 657 OE2 GLU A 40 289.657 120.363 400.326 1.00 0.00 O1- ATOM 0 H GLU A 40 294.622 121.115 399.665 1.00 0.00 H new ATOM 0 HA GLU A 40 293.811 118.369 400.111 1.00 0.00 H new ATOM 0 HB2 GLU A 40 293.172 120.410 401.580 1.00 0.00 H new ATOM 0 HB3 GLU A 40 292.115 120.899 400.270 1.00 0.00 H new ATOM 0 HG2 GLU A 40 291.790 118.104 401.355 1.00 0.00 H new ATOM 0 HG3 GLU A 40 291.239 119.436 402.353 1.00 0.00 H new ATOM 664 N LEU A 41 292.885 119.838 397.323 1.00 0.00 N ATOM 665 CA LEU A 41 292.126 119.636 396.069 1.00 0.00 C ATOM 666 C LEU A 41 292.633 118.574 395.108 1.00 0.00 C ATOM 667 O LEU A 41 292.034 118.314 394.070 1.00 0.00 O ATOM 668 CB LEU A 41 292.083 120.969 395.258 1.00 0.00 C ATOM 669 CG LEU A 41 290.888 121.204 394.299 1.00 0.00 C ATOM 670 CD1 LEU A 41 289.521 120.895 394.931 1.00 0.00 C ATOM 671 CD2 LEU A 41 290.927 122.671 393.840 1.00 0.00 C ATOM 0 H LEU A 41 293.466 120.676 397.312 1.00 0.00 H new ATOM 0 HA LEU A 41 291.157 119.291 396.429 1.00 0.00 H new ATOM 0 HB2 LEU A 41 292.105 121.793 395.971 1.00 0.00 H new ATOM 0 HB3 LEU A 41 292.999 121.031 394.670 1.00 0.00 H new ATOM 0 HG LEU A 41 290.994 120.515 393.461 1.00 0.00 H new ATOM 0 HD11 LEU A 41 288.732 121.082 394.202 1.00 0.00 H new ATOM 0 HD12 LEU A 41 289.490 119.850 395.238 1.00 0.00 H new ATOM 0 HD13 LEU A 41 289.370 121.534 395.801 1.00 0.00 H new ATOM 0 HD21 LEU A 41 290.095 122.863 393.163 1.00 0.00 H new ATOM 0 HD22 LEU A 41 290.847 123.326 394.708 1.00 0.00 H new ATOM 0 HD23 LEU A 41 291.867 122.866 393.324 1.00 0.00 H new ATOM 683 N GLY A 42 293.826 118.007 395.397 1.00 0.00 N ATOM 684 CA GLY A 42 294.598 117.065 394.593 1.00 0.00 C ATOM 685 C GLY A 42 295.297 117.625 393.370 1.00 0.00 C ATOM 686 O GLY A 42 296.174 116.966 392.821 1.00 0.00 O ATOM 0 H GLY A 42 294.302 118.222 396.273 1.00 0.00 H new ATOM 0 HA2 GLY A 42 295.351 116.607 395.235 1.00 0.00 H new ATOM 0 HA3 GLY A 42 293.929 116.268 394.267 1.00 0.00 H new ATOM 690 N LEU A 43 294.972 118.863 392.909 1.00 0.00 N ATOM 691 CA LEU A 43 295.587 119.493 391.746 1.00 0.00 C ATOM 692 C LEU A 43 296.275 120.796 392.067 1.00 0.00 C ATOM 693 O LEU A 43 295.786 121.596 392.871 1.00 0.00 O ATOM 694 CB LEU A 43 294.634 119.604 390.515 1.00 0.00 C ATOM 695 CG LEU A 43 293.826 120.907 390.262 1.00 0.00 C ATOM 696 CD1 LEU A 43 293.076 120.782 388.927 1.00 0.00 C ATOM 697 CD2 LEU A 43 292.845 121.277 391.385 1.00 0.00 C ATOM 0 H LEU A 43 294.263 119.446 393.353 1.00 0.00 H new ATOM 0 HA LEU A 43 296.375 118.804 391.443 1.00 0.00 H new ATOM 0 HB2 LEU A 43 295.235 119.419 389.625 1.00 0.00 H new ATOM 0 HB3 LEU A 43 293.915 118.788 390.589 1.00 0.00 H new ATOM 0 HG LEU A 43 294.552 121.720 390.232 1.00 0.00 H new ATOM 0 HD11 LEU A 43 292.507 121.693 388.743 1.00 0.00 H new ATOM 0 HD12 LEU A 43 293.793 120.633 388.120 1.00 0.00 H new ATOM 0 HD13 LEU A 43 292.396 119.931 388.970 1.00 0.00 H new ATOM 0 HD21 LEU A 43 292.325 122.199 391.125 1.00 0.00 H new ATOM 0 HD22 LEU A 43 292.119 120.474 391.513 1.00 0.00 H new ATOM 0 HD23 LEU A 43 293.394 121.421 392.315 1.00 0.00 H new ATOM 709 N SER A 44 297.431 121.081 391.392 1.00 0.00 N ATOM 710 CA SER A 44 298.267 122.285 391.548 1.00 0.00 C ATOM 711 C SER A 44 297.681 123.543 390.918 1.00 0.00 C ATOM 712 O SER A 44 298.255 124.178 390.034 1.00 0.00 O ATOM 713 CB SER A 44 299.705 122.065 391.017 1.00 0.00 C ATOM 714 OG SER A 44 300.331 121.070 391.821 1.00 0.00 O ATOM 0 H SER A 44 297.811 120.440 390.696 1.00 0.00 H new ATOM 0 HA SER A 44 298.296 122.452 392.625 1.00 0.00 H new ATOM 0 HB2 SER A 44 299.681 121.750 389.974 1.00 0.00 H new ATOM 0 HB3 SER A 44 300.271 122.996 391.056 1.00 0.00 H new ATOM 0 HG SER A 44 301.243 120.915 391.499 1.00 0.00 H new ATOM 720 N SER A 45 296.480 123.913 391.412 1.00 0.00 N ATOM 721 CA SER A 45 295.609 124.990 390.981 1.00 0.00 C ATOM 722 C SER A 45 296.087 126.405 391.337 1.00 0.00 C ATOM 723 O SER A 45 295.716 127.347 390.637 1.00 0.00 O ATOM 724 CB SER A 45 294.133 124.769 391.502 1.00 0.00 C ATOM 725 OG SER A 45 294.079 124.095 392.767 1.00 0.00 O ATOM 0 H SER A 45 296.071 123.407 392.197 1.00 0.00 H new ATOM 0 HA SER A 45 295.637 124.940 389.892 1.00 0.00 H new ATOM 0 HB2 SER A 45 293.636 125.735 391.590 1.00 0.00 H new ATOM 0 HB3 SER A 45 293.576 124.191 390.765 1.00 0.00 H new ATOM 0 HG SER A 45 294.260 124.735 393.487 1.00 0.00 H new ATOM 731 N ALA A 46 296.893 126.620 392.428 1.00 0.00 N ATOM 732 CA ALA A 46 297.173 127.939 393.026 1.00 0.00 C ATOM 733 C ALA A 46 298.028 128.948 392.247 1.00 0.00 C ATOM 734 O ALA A 46 298.095 130.118 392.622 1.00 0.00 O ATOM 735 CB ALA A 46 297.782 127.756 394.440 1.00 0.00 C ATOM 0 H ALA A 46 297.367 125.858 392.913 1.00 0.00 H new ATOM 0 HA ALA A 46 296.185 128.400 393.027 1.00 0.00 H new ATOM 0 HB1 ALA A 46 297.987 128.733 394.877 1.00 0.00 H new ATOM 0 HB2 ALA A 46 297.077 127.216 395.073 1.00 0.00 H new ATOM 0 HB3 ALA A 46 298.710 127.190 394.366 1.00 0.00 H new ATOM 741 N HIS A 47 298.605 128.506 391.094 1.00 0.00 N ATOM 742 CA HIS A 47 299.383 129.241 390.096 1.00 0.00 C ATOM 743 C HIS A 47 298.681 130.446 389.450 1.00 0.00 C ATOM 744 O HIS A 47 299.319 131.365 388.942 1.00 0.00 O ATOM 745 CB HIS A 47 299.799 128.282 388.938 1.00 0.00 C ATOM 746 CG HIS A 47 300.784 127.207 389.313 1.00 0.00 C ATOM 747 ND1 HIS A 47 300.466 125.925 389.716 1.00 0.00 N ATOM 748 CD2 HIS A 47 302.143 127.236 389.213 1.00 0.00 C ATOM 749 CE1 HIS A 47 301.641 125.254 389.837 1.00 0.00 C ATOM 750 NE2 HIS A 47 302.683 126.004 389.538 1.00 0.00 N ATOM 0 H HIS A 47 298.519 127.525 390.829 1.00 0.00 H new ATOM 0 HA HIS A 47 300.230 129.632 390.660 1.00 0.00 H new ATOM 0 HB2 HIS A 47 298.901 127.807 388.542 1.00 0.00 H new ATOM 0 HB3 HIS A 47 300.226 128.878 388.131 1.00 0.00 H new ATOM 0 HD1 HIS A 47 299.532 125.554 389.889 1.00 0.00 H new ATOM 0 HD2 HIS A 47 302.719 128.101 388.920 1.00 0.00 H new ATOM 0 HE1 HIS A 47 301.713 124.221 390.144 1.00 0.00 H new ATOM 758 N THR A 48 297.329 130.453 389.407 1.00 0.00 N ATOM 759 CA THR A 48 296.564 131.551 388.829 1.00 0.00 C ATOM 760 C THR A 48 295.269 131.645 389.604 1.00 0.00 C ATOM 761 O THR A 48 294.516 130.667 389.669 1.00 0.00 O ATOM 762 CB THR A 48 296.305 131.351 387.337 1.00 0.00 C ATOM 763 OG1 THR A 48 297.524 131.122 386.640 1.00 0.00 O ATOM 764 CG2 THR A 48 295.649 132.595 386.712 1.00 0.00 C ATOM 0 H THR A 48 296.752 129.696 389.773 1.00 0.00 H new ATOM 0 HA THR A 48 297.130 132.479 388.906 1.00 0.00 H new ATOM 0 HB THR A 48 295.642 130.491 387.248 1.00 0.00 H new ATOM 0 HG1 THR A 48 297.337 130.995 385.687 1.00 0.00 H new ATOM 0 HG21 THR A 48 295.478 132.421 385.650 1.00 0.00 H new ATOM 0 HG22 THR A 48 294.697 132.791 387.206 1.00 0.00 H new ATOM 0 HG23 THR A 48 296.307 133.455 386.837 1.00 0.00 H new ATOM 772 N ASN A 49 294.926 132.843 390.203 1.00 0.00 N ATOM 773 CA ASN A 49 293.727 133.078 391.041 1.00 0.00 C ATOM 774 C ASN A 49 292.410 132.779 390.348 1.00 0.00 C ATOM 775 O ASN A 49 291.537 132.121 390.892 1.00 0.00 O ATOM 776 CB ASN A 49 293.667 134.504 391.681 1.00 0.00 C ATOM 777 CG ASN A 49 292.967 134.436 393.046 1.00 0.00 C ATOM 778 OD1 ASN A 49 293.499 133.744 393.911 1.00 0.00 O ATOM 779 ND2 ASN A 49 291.805 135.100 393.283 1.00 0.00 N ATOM 0 H ASN A 49 295.501 133.679 390.102 1.00 0.00 H new ATOM 0 HA ASN A 49 293.854 132.351 391.843 1.00 0.00 H new ATOM 0 HB2 ASN A 49 294.675 134.902 391.799 1.00 0.00 H new ATOM 0 HB3 ASN A 49 293.131 135.186 391.021 1.00 0.00 H new ATOM 0 HD21 ASN A 49 291.355 135.030 394.196 1.00 0.00 H new ATOM 0 HD22 ASN A 49 291.383 135.668 392.548 1.00 0.00 H new ATOM 786 N ARG A 50 292.322 133.186 389.064 1.00 0.00 N ATOM 787 CA ARG A 50 291.240 132.971 388.128 1.00 0.00 C ATOM 788 C ARG A 50 291.036 131.502 387.763 1.00 0.00 C ATOM 789 O ARG A 50 289.899 131.067 387.683 1.00 0.00 O ATOM 790 CB ARG A 50 291.422 133.840 386.852 1.00 0.00 C ATOM 791 CG ARG A 50 291.707 135.333 387.143 1.00 0.00 C ATOM 792 CD ARG A 50 293.195 135.664 387.392 1.00 0.00 C ATOM 793 NE ARG A 50 293.311 137.118 387.760 1.00 0.00 N ATOM 794 CZ ARG A 50 294.409 137.649 388.384 1.00 0.00 C ATOM 795 NH1 ARG A 50 295.477 136.866 388.712 1.00 0.00 N1+ ATOM 796 NH2 ARG A 50 294.431 138.981 388.683 1.00 0.00 N ATOM 0 H ARG A 50 293.080 133.718 388.636 1.00 0.00 H new ATOM 0 HA ARG A 50 290.331 133.287 388.641 1.00 0.00 H new ATOM 0 HB2 ARG A 50 292.242 133.432 386.261 1.00 0.00 H new ATOM 0 HB3 ARG A 50 290.522 133.765 386.242 1.00 0.00 H new ATOM 0 HG2 ARG A 50 291.351 135.928 386.302 1.00 0.00 H new ATOM 0 HG3 ARG A 50 291.129 135.637 388.016 1.00 0.00 H new ATOM 0 HD2 ARG A 50 293.592 135.039 388.192 1.00 0.00 H new ATOM 0 HD3 ARG A 50 293.784 135.452 386.499 1.00 0.00 H new ATOM 0 HE ARG A 50 292.534 137.739 387.534 1.00 0.00 H new ATOM 0 HH11 ARG A 50 295.466 135.870 388.493 1.00 0.00 H new ATOM 0 HH12 ARG A 50 296.287 137.277 389.176 1.00 0.00 H new ATOM 0 HH21 ARG A 50 293.635 139.571 388.442 1.00 0.00 H new ATOM 0 HH22 ARG A 50 295.244 139.386 389.148 1.00 0.00 H new ATOM 810 N LYS A 51 292.128 130.703 387.555 1.00 0.00 N ATOM 811 CA LYS A 51 292.104 129.260 387.268 1.00 0.00 C ATOM 812 C LYS A 51 291.741 128.385 388.470 1.00 0.00 C ATOM 813 O LYS A 51 290.843 127.528 388.412 1.00 0.00 O ATOM 814 CB LYS A 51 293.442 128.797 386.651 1.00 0.00 C ATOM 815 CG LYS A 51 293.395 127.433 385.937 1.00 0.00 C ATOM 816 CD LYS A 51 294.790 126.916 385.545 1.00 0.00 C ATOM 817 CE LYS A 51 295.608 126.427 386.754 1.00 0.00 C ATOM 818 NZ LYS A 51 296.929 125.901 386.335 1.00 0.00 N1+ ATOM 0 H LYS A 51 293.077 131.075 387.587 1.00 0.00 H new ATOM 0 HA LYS A 51 291.300 129.124 386.544 1.00 0.00 H new ATOM 0 HB2 LYS A 51 293.776 129.551 385.939 1.00 0.00 H new ATOM 0 HB3 LYS A 51 294.192 128.751 387.441 1.00 0.00 H new ATOM 0 HG2 LYS A 51 292.912 126.704 386.588 1.00 0.00 H new ATOM 0 HG3 LYS A 51 292.779 127.518 385.042 1.00 0.00 H new ATOM 0 HD2 LYS A 51 294.682 126.099 384.831 1.00 0.00 H new ATOM 0 HD3 LYS A 51 295.338 127.711 385.039 1.00 0.00 H new ATOM 0 HE2 LYS A 51 295.748 127.248 387.457 1.00 0.00 H new ATOM 0 HE3 LYS A 51 295.054 125.649 387.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 297.456 125.580 387.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 296.794 125.102 385.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 297.465 126.652 385.856 1.00 0.00 H new ATOM 832 N VAL A 52 292.379 128.650 389.669 1.00 0.00 N ATOM 833 CA VAL A 52 292.027 127.962 390.936 1.00 0.00 C ATOM 834 C VAL A 52 290.644 128.287 391.362 1.00 0.00 C ATOM 835 O VAL A 52 289.860 127.372 391.588 1.00 0.00 O ATOM 836 CB VAL A 52 292.926 128.158 392.180 1.00 0.00 C ATOM 837 CG1 VAL A 52 293.158 129.638 392.575 1.00 0.00 C ATOM 838 CG2 VAL A 52 292.489 127.244 393.381 1.00 0.00 C ATOM 0 H VAL A 52 293.131 129.332 389.765 1.00 0.00 H new ATOM 0 HA VAL A 52 292.173 126.926 390.632 1.00 0.00 H new ATOM 0 HB VAL A 52 293.916 127.814 391.880 1.00 0.00 H new ATOM 0 HG11 VAL A 52 293.798 129.683 393.456 1.00 0.00 H new ATOM 0 HG12 VAL A 52 293.638 130.164 391.750 1.00 0.00 H new ATOM 0 HG13 VAL A 52 292.201 130.110 392.797 1.00 0.00 H new ATOM 0 HG21 VAL A 52 293.150 127.418 394.230 1.00 0.00 H new ATOM 0 HG22 VAL A 52 291.464 127.482 393.665 1.00 0.00 H new ATOM 0 HG23 VAL A 52 292.550 126.197 393.083 1.00 0.00 H new ATOM 848 N TRP A 53 290.287 129.605 391.348 1.00 0.00 N ATOM 849 CA TRP A 53 288.956 130.092 391.631 1.00 0.00 C ATOM 850 C TRP A 53 287.896 129.579 390.704 1.00 0.00 C ATOM 851 O TRP A 53 286.832 129.290 391.189 1.00 0.00 O ATOM 852 CB TRP A 53 288.840 131.594 391.829 1.00 0.00 C ATOM 853 CG TRP A 53 289.391 132.258 393.033 1.00 0.00 C ATOM 854 CD1 TRP A 53 289.101 133.564 393.280 1.00 0.00 C ATOM 855 CD2 TRP A 53 289.800 131.671 394.280 1.00 0.00 C ATOM 856 NE1 TRP A 53 289.264 133.833 394.602 1.00 0.00 N ATOM 857 CE2 TRP A 53 289.755 132.696 395.215 1.00 0.00 C ATOM 858 CE3 TRP A 53 290.126 130.384 394.643 1.00 0.00 C ATOM 859 CZ2 TRP A 53 290.078 132.458 396.506 1.00 0.00 C ATOM 860 CZ3 TRP A 53 290.439 130.142 395.956 1.00 0.00 C ATOM 861 CH2 TRP A 53 290.446 131.176 396.860 1.00 0.00 C ATOM 0 H TRP A 53 290.949 130.351 391.132 1.00 0.00 H new ATOM 0 HA TRP A 53 288.760 129.650 392.608 1.00 0.00 H new ATOM 0 HB2 TRP A 53 289.308 132.065 390.965 1.00 0.00 H new ATOM 0 HB3 TRP A 53 287.778 131.838 391.790 1.00 0.00 H new ATOM 0 HD1 TRP A 53 288.788 134.281 392.536 1.00 0.00 H new ATOM 0 HE1 TRP A 53 289.059 134.720 395.062 1.00 0.00 H new ATOM 0 HE3 TRP A 53 290.135 129.587 393.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 290.049 133.250 397.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 290.680 129.140 396.279 1.00 0.00 H new ATOM 0 HH2 TRP A 53 290.748 130.980 397.878 1.00 0.00 H new ATOM 872 N LYS A 54 288.191 129.338 389.409 1.00 0.00 N ATOM 873 CA LYS A 54 287.348 128.611 388.447 1.00 0.00 C ATOM 874 C LYS A 54 287.177 127.124 388.755 1.00 0.00 C ATOM 875 O LYS A 54 286.060 126.636 388.685 1.00 0.00 O ATOM 876 CB LYS A 54 288.074 128.715 387.088 1.00 0.00 C ATOM 877 CG LYS A 54 287.990 127.591 386.041 1.00 0.00 C ATOM 878 CD LYS A 54 288.622 128.030 384.715 1.00 0.00 C ATOM 879 CE LYS A 54 288.349 127.070 383.548 1.00 0.00 C ATOM 880 NZ LYS A 54 288.842 125.705 383.836 1.00 0.00 N1+ ATOM 0 H LYS A 54 289.063 129.661 388.991 1.00 0.00 H new ATOM 0 HA LYS A 54 286.351 129.052 388.473 1.00 0.00 H new ATOM 0 HB2 LYS A 54 287.714 129.624 386.606 1.00 0.00 H new ATOM 0 HB3 LYS A 54 289.131 128.867 387.305 1.00 0.00 H new ATOM 0 HG2 LYS A 54 288.499 126.702 386.414 1.00 0.00 H new ATOM 0 HG3 LYS A 54 286.948 127.317 385.879 1.00 0.00 H new ATOM 0 HD2 LYS A 54 288.246 129.019 384.454 1.00 0.00 H new ATOM 0 HD3 LYS A 54 289.699 128.124 384.851 1.00 0.00 H new ATOM 0 HE2 LYS A 54 287.278 127.036 383.348 1.00 0.00 H new ATOM 0 HE3 LYS A 54 288.830 127.448 382.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 289.513 125.415 383.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 289.320 125.696 384.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 288.040 125.043 383.855 1.00 0.00 H new ATOM 894 N LYS A 55 288.241 126.348 389.154 1.00 0.00 N ATOM 895 CA LYS A 55 288.108 124.935 389.625 1.00 0.00 C ATOM 896 C LYS A 55 287.296 124.855 390.943 1.00 0.00 C ATOM 897 O LYS A 55 286.337 124.090 391.141 1.00 0.00 O ATOM 898 CB LYS A 55 289.497 124.256 389.833 1.00 0.00 C ATOM 899 CG LYS A 55 290.044 123.493 388.613 1.00 0.00 C ATOM 900 CD LYS A 55 290.389 124.397 387.429 1.00 0.00 C ATOM 901 CE LYS A 55 291.174 123.665 386.336 1.00 0.00 C ATOM 902 NZ LYS A 55 291.534 124.575 385.227 1.00 0.00 N1+ ATOM 0 H LYS A 55 289.203 126.687 389.156 1.00 0.00 H new ATOM 0 HA LYS A 55 287.574 124.398 388.841 1.00 0.00 H new ATOM 0 HB2 LYS A 55 290.219 125.022 390.116 1.00 0.00 H new ATOM 0 HB3 LYS A 55 289.423 123.563 390.671 1.00 0.00 H new ATOM 0 HG2 LYS A 55 290.936 122.941 388.910 1.00 0.00 H new ATOM 0 HG3 LYS A 55 289.306 122.757 388.294 1.00 0.00 H new ATOM 0 HD2 LYS A 55 289.469 124.798 387.003 1.00 0.00 H new ATOM 0 HD3 LYS A 55 290.973 125.246 387.784 1.00 0.00 H new ATOM 0 HE2 LYS A 55 292.079 123.234 386.763 1.00 0.00 H new ATOM 0 HE3 LYS A 55 290.578 122.838 385.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 291.100 124.236 384.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 291.187 125.533 385.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 292.568 124.597 385.118 1.00 0.00 H new ATOM 916 N PHE A 56 287.637 125.815 391.836 1.00 0.00 N ATOM 917 CA PHE A 56 286.937 126.083 393.111 1.00 0.00 C ATOM 918 C PHE A 56 285.462 126.545 392.937 1.00 0.00 C ATOM 919 O PHE A 56 284.525 126.102 393.604 1.00 0.00 O ATOM 920 CB PHE A 56 287.789 127.064 393.966 1.00 0.00 C ATOM 921 CG PHE A 56 288.157 126.497 395.294 1.00 0.00 C ATOM 922 CD1 PHE A 56 287.824 127.152 396.463 1.00 0.00 C ATOM 923 CD2 PHE A 56 288.813 125.280 395.353 1.00 0.00 C ATOM 924 CE1 PHE A 56 288.078 126.563 397.676 1.00 0.00 C ATOM 925 CE2 PHE A 56 289.098 124.701 396.568 1.00 0.00 C ATOM 926 CZ PHE A 56 288.725 125.351 397.724 1.00 0.00 C ATOM 0 H PHE A 56 288.428 126.440 391.683 1.00 0.00 H new ATOM 0 HA PHE A 56 286.845 125.139 393.648 1.00 0.00 H new ATOM 0 HB2 PHE A 56 288.697 127.321 393.421 1.00 0.00 H new ATOM 0 HB3 PHE A 56 287.233 127.990 394.112 1.00 0.00 H new ATOM 0 HD1 PHE A 56 287.364 128.128 396.423 1.00 0.00 H new ATOM 0 HD2 PHE A 56 289.103 124.782 394.440 1.00 0.00 H new ATOM 0 HE1 PHE A 56 287.771 127.050 398.590 1.00 0.00 H new ATOM 0 HE2 PHE A 56 289.607 123.750 396.615 1.00 0.00 H new ATOM 0 HZ PHE A 56 288.944 124.902 398.682 1.00 0.00 H new ATOM 936 N VAL A 57 285.224 127.415 391.922 1.00 0.00 N ATOM 937 CA VAL A 57 283.963 127.890 391.342 1.00 0.00 C ATOM 938 C VAL A 57 283.131 126.859 390.593 1.00 0.00 C ATOM 939 O VAL A 57 281.905 126.868 390.652 1.00 0.00 O ATOM 940 CB VAL A 57 283.618 129.389 391.327 1.00 0.00 C ATOM 941 CG1 VAL A 57 283.701 129.899 392.806 1.00 0.00 C ATOM 942 CG2 VAL A 57 284.321 130.314 390.306 1.00 0.00 C ATOM 0 H VAL A 57 286.014 127.845 391.441 1.00 0.00 H new ATOM 0 HA VAL A 57 283.279 128.097 392.165 1.00 0.00 H new ATOM 0 HB VAL A 57 282.609 129.459 390.922 1.00 0.00 H new ATOM 0 HG11 VAL A 57 283.462 130.962 392.838 1.00 0.00 H new ATOM 0 HG12 VAL A 57 282.989 129.348 393.421 1.00 0.00 H new ATOM 0 HG13 VAL A 57 284.709 129.742 393.189 1.00 0.00 H new ATOM 0 HG21 VAL A 57 283.962 131.335 390.433 1.00 0.00 H new ATOM 0 HG22 VAL A 57 285.398 130.285 390.470 1.00 0.00 H new ATOM 0 HG23 VAL A 57 284.099 129.974 389.294 1.00 0.00 H new ATOM 952 N GLU A 58 283.804 125.872 389.951 1.00 0.00 N ATOM 953 CA GLU A 58 283.252 124.613 389.431 1.00 0.00 C ATOM 954 C GLU A 58 282.736 123.722 390.593 1.00 0.00 C ATOM 955 O GLU A 58 281.635 123.176 390.528 1.00 0.00 O ATOM 956 CB GLU A 58 284.287 123.878 388.536 1.00 0.00 C ATOM 957 CG GLU A 58 283.712 122.725 387.695 1.00 0.00 C ATOM 958 CD GLU A 58 284.820 122.144 386.817 1.00 0.00 C ATOM 959 OE1 GLU A 58 285.150 120.941 386.994 1.00 0.00 O ATOM 960 OE2 GLU A 58 285.351 122.896 385.956 1.00 0.00 O1- ATOM 0 H GLU A 58 284.806 125.946 389.776 1.00 0.00 H new ATOM 0 HA GLU A 58 282.396 124.843 388.796 1.00 0.00 H new ATOM 0 HB2 GLU A 58 284.746 124.604 387.865 1.00 0.00 H new ATOM 0 HB3 GLU A 58 285.081 123.485 389.171 1.00 0.00 H new ATOM 0 HG2 GLU A 58 283.304 121.952 388.346 1.00 0.00 H new ATOM 0 HG3 GLU A 58 282.891 123.085 387.075 1.00 0.00 H new ATOM 967 N ALA A 59 283.485 123.660 391.751 1.00 0.00 N ATOM 968 CA ALA A 59 282.989 123.052 393.013 1.00 0.00 C ATOM 969 C ALA A 59 281.787 123.717 393.658 1.00 0.00 C ATOM 970 O ALA A 59 280.924 123.079 394.239 1.00 0.00 O ATOM 971 CB ALA A 59 283.940 123.198 394.215 1.00 0.00 C ATOM 0 H ALA A 59 284.434 124.028 391.821 1.00 0.00 H new ATOM 0 HA ALA A 59 282.819 122.045 392.632 1.00 0.00 H new ATOM 0 HB1 ALA A 59 283.495 122.725 395.090 1.00 0.00 H new ATOM 0 HB2 ALA A 59 284.891 122.717 393.987 1.00 0.00 H new ATOM 0 HB3 ALA A 59 284.108 124.255 394.420 1.00 0.00 H new ATOM 977 N TYR A 60 281.800 125.075 393.645 1.00 0.00 N ATOM 978 CA TYR A 60 280.906 126.030 394.293 1.00 0.00 C ATOM 979 C TYR A 60 279.369 125.817 394.024 1.00 0.00 C ATOM 980 O TYR A 60 278.480 126.333 394.689 1.00 0.00 O ATOM 981 CB TYR A 60 281.339 127.433 393.796 1.00 0.00 C ATOM 982 CG TYR A 60 280.941 128.703 394.501 1.00 0.00 C ATOM 983 CD1 TYR A 60 281.757 129.224 395.492 1.00 0.00 C ATOM 984 CD2 TYR A 60 279.920 129.495 393.992 1.00 0.00 C ATOM 985 CE1 TYR A 60 281.600 130.522 395.920 1.00 0.00 C ATOM 986 CE2 TYR A 60 279.724 130.782 394.468 1.00 0.00 C ATOM 987 CZ TYR A 60 280.581 131.295 395.417 1.00 0.00 C ATOM 988 OH TYR A 60 280.453 132.598 395.932 1.00 0.00 O ATOM 0 H TYR A 60 282.522 125.566 393.118 1.00 0.00 H new ATOM 0 HA TYR A 60 281.003 125.897 395.370 1.00 0.00 H new ATOM 0 HB2 TYR A 60 282.428 127.427 393.757 1.00 0.00 H new ATOM 0 HB3 TYR A 60 280.984 127.523 392.769 1.00 0.00 H new ATOM 0 HD1 TYR A 60 282.524 128.605 395.933 1.00 0.00 H new ATOM 0 HD2 TYR A 60 279.274 129.105 393.219 1.00 0.00 H new ATOM 0 HE1 TYR A 60 282.278 130.934 396.652 1.00 0.00 H new ATOM 0 HE2 TYR A 60 278.904 131.379 394.097 1.00 0.00 H new ATOM 0 HH TYR A 60 279.698 133.048 395.499 1.00 0.00 H new ATOM 998 N GLY A 61 279.041 124.991 393.002 1.00 0.00 N ATOM 999 CA GLY A 61 277.707 124.456 392.705 1.00 0.00 C ATOM 1000 C GLY A 61 277.419 123.050 393.237 1.00 0.00 C ATOM 1001 O GLY A 61 276.376 122.489 392.919 1.00 0.00 O ATOM 0 H GLY A 61 279.741 124.668 392.334 1.00 0.00 H new ATOM 0 HA2 GLY A 61 276.963 125.139 393.115 1.00 0.00 H new ATOM 0 HA3 GLY A 61 277.571 124.450 391.623 1.00 0.00 H new ATOM 1005 N LYS A 62 278.335 122.432 394.041 1.00 0.00 N ATOM 1006 CA LYS A 62 278.269 121.069 394.590 1.00 0.00 C ATOM 1007 C LYS A 62 277.803 120.922 396.048 1.00 0.00 C ATOM 1008 O LYS A 62 277.209 119.906 396.387 1.00 0.00 O ATOM 1009 CB LYS A 62 279.559 120.250 394.196 1.00 0.00 C ATOM 1010 CG LYS A 62 280.400 119.441 395.222 1.00 0.00 C ATOM 1011 CD LYS A 62 281.605 120.129 395.922 1.00 0.00 C ATOM 1012 CE LYS A 62 281.306 120.693 397.325 1.00 0.00 C ATOM 1013 NZ LYS A 62 282.410 120.422 398.281 1.00 0.00 N1+ ATOM 0 H LYS A 62 279.186 122.914 394.333 1.00 0.00 H new ATOM 0 HA LYS A 62 277.420 120.595 394.096 1.00 0.00 H new ATOM 0 HB2 LYS A 62 279.252 119.544 393.424 1.00 0.00 H new ATOM 0 HB3 LYS A 62 280.242 120.958 393.727 1.00 0.00 H new ATOM 0 HG2 LYS A 62 279.722 119.094 396.001 1.00 0.00 H new ATOM 0 HG3 LYS A 62 280.779 118.556 394.711 1.00 0.00 H new ATOM 0 HD2 LYS A 62 282.419 119.409 396.002 1.00 0.00 H new ATOM 0 HD3 LYS A 62 281.959 120.942 395.288 1.00 0.00 H new ATOM 0 HE2 LYS A 62 281.142 121.768 397.256 1.00 0.00 H new ATOM 0 HE3 LYS A 62 280.383 120.254 397.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 282.458 121.189 398.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 282.235 119.519 398.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 283.311 120.368 397.764 1.00 0.00 H new ATOM 1027 N ALA A 63 278.036 121.902 396.964 1.00 0.00 N ATOM 1028 CA ALA A 63 277.614 121.862 398.384 1.00 0.00 C ATOM 1029 C ALA A 63 276.660 123.002 398.742 1.00 0.00 C ATOM 1030 O ALA A 63 276.662 123.524 399.860 1.00 0.00 O ATOM 1031 CB ALA A 63 278.815 121.879 399.368 1.00 0.00 C ATOM 0 H ALA A 63 278.534 122.759 396.725 1.00 0.00 H new ATOM 0 HA ALA A 63 277.088 120.913 398.493 1.00 0.00 H new ATOM 0 HB1 ALA A 63 278.446 121.848 400.393 1.00 0.00 H new ATOM 0 HB2 ALA A 63 279.448 121.011 399.184 1.00 0.00 H new ATOM 0 HB3 ALA A 63 279.395 122.790 399.218 1.00 0.00 H new ATOM 1037 N ILE A 64 275.866 123.470 397.752 1.00 0.00 N ATOM 1038 CA ILE A 64 274.953 124.610 397.856 1.00 0.00 C ATOM 1039 C ILE A 64 273.490 124.255 398.204 1.00 0.00 C ATOM 1040 O ILE A 64 272.762 123.738 397.355 1.00 0.00 O ATOM 1041 CB ILE A 64 275.060 125.526 396.617 1.00 0.00 C ATOM 1042 CG1 ILE A 64 274.219 126.832 396.680 1.00 0.00 C ATOM 1043 CG2 ILE A 64 274.780 124.782 395.291 1.00 0.00 C ATOM 1044 CD1 ILE A 64 274.519 127.750 397.876 1.00 0.00 C ATOM 0 H ILE A 64 275.850 123.041 396.827 1.00 0.00 H new ATOM 0 HA ILE A 64 275.295 125.168 398.727 1.00 0.00 H new ATOM 0 HB ILE A 64 276.105 125.835 396.637 1.00 0.00 H new ATOM 0 HG12 ILE A 64 274.383 127.395 395.761 1.00 0.00 H new ATOM 0 HG13 ILE A 64 273.163 126.564 396.705 1.00 0.00 H new ATOM 0 HG21 ILE A 64 274.870 125.478 394.457 1.00 0.00 H new ATOM 0 HG22 ILE A 64 275.501 123.973 395.168 1.00 0.00 H new ATOM 0 HG23 ILE A 64 273.771 124.369 395.311 1.00 0.00 H new ATOM 0 HD11 ILE A 64 273.880 128.632 397.827 1.00 0.00 H new ATOM 0 HD12 ILE A 64 274.325 127.213 398.804 1.00 0.00 H new ATOM 0 HD13 ILE A 64 275.564 128.057 397.846 1.00 0.00 H new ATOM 1056 N PRO A 65 272.983 124.467 399.449 1.00 0.00 N ATOM 1057 CA PRO A 65 271.549 124.435 399.760 1.00 0.00 C ATOM 1058 C PRO A 65 270.895 125.800 399.381 1.00 0.00 C ATOM 1059 O PRO A 65 271.585 126.818 399.486 1.00 0.00 O ATOM 1060 CB PRO A 65 271.549 124.208 401.286 1.00 0.00 C ATOM 1061 CG PRO A 65 272.794 124.945 401.792 1.00 0.00 C ATOM 1062 CD PRO A 65 273.783 124.825 400.625 1.00 0.00 C ATOM 0 HA PRO A 65 270.984 123.676 399.219 1.00 0.00 H new ATOM 0 HB2 PRO A 65 270.642 124.603 401.745 1.00 0.00 H new ATOM 0 HB3 PRO A 65 271.592 123.146 401.528 1.00 0.00 H new ATOM 0 HG2 PRO A 65 272.576 125.987 402.027 1.00 0.00 H new ATOM 0 HG3 PRO A 65 273.188 124.489 402.700 1.00 0.00 H new ATOM 0 HD2 PRO A 65 274.313 125.764 400.465 1.00 0.00 H new ATOM 0 HD3 PRO A 65 274.537 124.065 400.830 1.00 0.00 H new ATOM 1070 N PRO A 66 269.616 125.931 398.975 1.00 0.00 N ATOM 1071 CA PRO A 66 269.010 127.201 398.545 1.00 0.00 C ATOM 1072 C PRO A 66 268.507 128.077 399.718 1.00 0.00 C ATOM 1073 O PRO A 66 267.374 128.552 399.661 1.00 0.00 O ATOM 1074 CB PRO A 66 267.863 126.700 397.642 1.00 0.00 C ATOM 1075 CG PRO A 66 267.398 125.398 398.303 1.00 0.00 C ATOM 1076 CD PRO A 66 268.709 124.795 398.814 1.00 0.00 C ATOM 0 HA PRO A 66 269.714 127.868 398.047 1.00 0.00 H new ATOM 0 HB2 PRO A 66 267.054 127.428 397.587 1.00 0.00 H new ATOM 0 HB3 PRO A 66 268.207 126.527 396.622 1.00 0.00 H new ATOM 0 HG2 PRO A 66 266.694 125.584 399.114 1.00 0.00 H new ATOM 0 HG3 PRO A 66 266.899 124.739 397.593 1.00 0.00 H new ATOM 0 HD2 PRO A 66 268.560 124.273 399.759 1.00 0.00 H new ATOM 0 HD3 PRO A 66 269.110 124.068 398.108 1.00 0.00 H new ATOM 1084 N ALA A 67 269.331 128.316 400.769 1.00 0.00 N ATOM 1085 CA ALA A 67 268.979 129.108 401.931 1.00 0.00 C ATOM 1086 C ALA A 67 270.258 129.289 402.746 1.00 0.00 C ATOM 1087 O ALA A 67 271.153 128.451 402.610 1.00 0.00 O ATOM 1088 CB ALA A 67 267.894 128.403 402.793 1.00 0.00 C ATOM 0 H ALA A 67 270.280 127.944 400.814 1.00 0.00 H new ATOM 0 HA ALA A 67 268.563 130.066 401.620 1.00 0.00 H new ATOM 0 HB1 ALA A 67 267.654 129.025 403.656 1.00 0.00 H new ATOM 0 HB2 ALA A 67 266.996 128.251 402.194 1.00 0.00 H new ATOM 0 HB3 ALA A 67 268.270 127.439 403.134 1.00 0.00 H new ATOM 1094 N PRO A 68 270.434 130.341 403.582 1.00 0.00 N ATOM 1095 CA PRO A 68 271.617 130.543 404.431 1.00 0.00 C ATOM 1096 C PRO A 68 271.578 129.625 405.688 1.00 0.00 C ATOM 1097 O PRO A 68 270.513 129.571 406.305 1.00 0.00 O ATOM 1098 CB PRO A 68 271.520 132.037 404.806 1.00 0.00 C ATOM 1099 CG PRO A 68 270.019 132.352 404.808 1.00 0.00 C ATOM 1100 CD PRO A 68 269.468 131.436 403.712 1.00 0.00 C ATOM 0 HA PRO A 68 272.554 130.290 403.935 1.00 0.00 H new ATOM 0 HB2 PRO A 68 271.964 132.228 405.783 1.00 0.00 H new ATOM 0 HB3 PRO A 68 272.052 132.659 404.087 1.00 0.00 H new ATOM 0 HG2 PRO A 68 269.564 132.140 405.776 1.00 0.00 H new ATOM 0 HG3 PRO A 68 269.828 133.402 404.589 1.00 0.00 H new ATOM 0 HD2 PRO A 68 268.481 131.057 403.979 1.00 0.00 H new ATOM 0 HD3 PRO A 68 269.359 131.975 402.771 1.00 0.00 H new ATOM 1108 N PRO A 69 272.629 128.869 406.084 1.00 0.00 N ATOM 1109 CA PRO A 69 272.578 127.955 407.223 1.00 0.00 C ATOM 1110 C PRO A 69 273.072 128.638 408.515 1.00 0.00 C ATOM 1111 O PRO A 69 272.424 129.559 409.002 1.00 0.00 O ATOM 1112 CB PRO A 69 273.454 126.789 406.712 1.00 0.00 C ATOM 1113 CG PRO A 69 274.523 127.433 405.817 1.00 0.00 C ATOM 1114 CD PRO A 69 273.850 128.708 405.293 1.00 0.00 C ATOM 0 HA PRO A 69 271.584 127.617 407.517 1.00 0.00 H new ATOM 0 HB2 PRO A 69 273.911 126.250 407.542 1.00 0.00 H new ATOM 0 HB3 PRO A 69 272.858 126.068 406.153 1.00 0.00 H new ATOM 0 HG2 PRO A 69 275.429 127.662 406.379 1.00 0.00 H new ATOM 0 HG3 PRO A 69 274.813 126.770 405.001 1.00 0.00 H new ATOM 0 HD2 PRO A 69 274.506 129.571 405.406 1.00 0.00 H new ATOM 0 HD3 PRO A 69 273.619 128.620 404.231 1.00 0.00 H new ATOM 1122 N ALA A 70 274.207 128.172 409.087 1.00 0.00 N ATOM 1123 CA ALA A 70 274.837 128.609 410.323 1.00 0.00 C ATOM 1124 C ALA A 70 275.897 129.722 410.227 1.00 0.00 C ATOM 1125 O ALA A 70 275.907 130.528 411.152 1.00 0.00 O ATOM 1126 CB ALA A 70 275.420 127.378 411.061 1.00 0.00 C ATOM 0 H ALA A 70 274.737 127.419 408.648 1.00 0.00 H new ATOM 0 HA ALA A 70 274.030 129.085 410.880 1.00 0.00 H new ATOM 0 HB1 ALA A 70 275.893 127.700 411.988 1.00 0.00 H new ATOM 0 HB2 ALA A 70 274.617 126.676 411.288 1.00 0.00 H new ATOM 0 HB3 ALA A 70 276.160 126.890 410.426 1.00 0.00 H new ATOM 1132 N PRO A 71 276.822 129.877 409.242 1.00 0.00 N ATOM 1133 CA PRO A 71 277.885 130.892 409.242 1.00 0.00 C ATOM 1134 C PRO A 71 277.527 132.386 409.106 1.00 0.00 C ATOM 1135 O PRO A 71 278.335 133.110 409.689 1.00 0.00 O ATOM 1136 CB PRO A 71 278.825 130.467 408.091 1.00 0.00 C ATOM 1137 CG PRO A 71 278.500 129.002 407.831 1.00 0.00 C ATOM 1138 CD PRO A 71 277.019 128.928 408.158 1.00 0.00 C ATOM 0 HA PRO A 71 278.304 130.888 410.248 1.00 0.00 H new ATOM 0 HB2 PRO A 71 278.656 131.072 407.200 1.00 0.00 H new ATOM 0 HB3 PRO A 71 279.871 130.595 408.369 1.00 0.00 H new ATOM 0 HG2 PRO A 71 278.702 128.719 406.798 1.00 0.00 H new ATOM 0 HG3 PRO A 71 279.089 128.338 408.464 1.00 0.00 H new ATOM 0 HD2 PRO A 71 276.411 129.187 407.292 1.00 0.00 H new ATOM 0 HD3 PRO A 71 276.732 127.921 408.459 1.00 0.00 H new ATOM 1146 N PRO A 72 276.492 132.981 408.433 1.00 0.00 N ATOM 1147 CA PRO A 72 276.318 134.433 408.333 1.00 0.00 C ATOM 1148 C PRO A 72 275.754 135.048 409.628 1.00 0.00 C ATOM 1149 O PRO A 72 274.925 134.453 410.318 1.00 0.00 O ATOM 1150 CB PRO A 72 275.382 134.605 407.121 1.00 0.00 C ATOM 1151 CG PRO A 72 274.538 133.329 407.094 1.00 0.00 C ATOM 1152 CD PRO A 72 275.458 132.266 407.684 1.00 0.00 C ATOM 0 HA PRO A 72 277.261 134.962 408.198 1.00 0.00 H new ATOM 0 HB2 PRO A 72 274.756 135.491 407.227 1.00 0.00 H new ATOM 0 HB3 PRO A 72 275.949 134.724 406.197 1.00 0.00 H new ATOM 0 HG2 PRO A 72 273.627 133.440 407.683 1.00 0.00 H new ATOM 0 HG3 PRO A 72 274.232 133.074 406.079 1.00 0.00 H new ATOM 0 HD2 PRO A 72 274.903 131.591 408.336 1.00 0.00 H new ATOM 0 HD3 PRO A 72 275.901 131.656 406.897 1.00 0.00 H new ATOM 1160 N LEU A 73 276.218 136.266 409.994 1.00 0.00 N ATOM 1161 CA LEU A 73 275.870 136.953 411.241 1.00 0.00 C ATOM 1162 C LEU A 73 275.145 138.258 410.935 1.00 0.00 C ATOM 1163 O LEU A 73 275.428 138.898 409.928 1.00 0.00 O ATOM 1164 CB LEU A 73 277.216 137.210 411.980 1.00 0.00 C ATOM 1165 CG LEU A 73 277.189 137.319 413.528 1.00 0.00 C ATOM 1166 CD1 LEU A 73 278.574 136.982 414.115 1.00 0.00 C ATOM 1167 CD2 LEU A 73 276.756 138.689 414.083 1.00 0.00 C ATOM 0 H LEU A 73 276.859 136.803 409.410 1.00 0.00 H new ATOM 0 HA LEU A 73 275.198 136.360 411.861 1.00 0.00 H new ATOM 0 HB2 LEU A 73 277.902 136.406 411.714 1.00 0.00 H new ATOM 0 HB3 LEU A 73 277.641 138.134 411.588 1.00 0.00 H new ATOM 0 HG LEU A 73 276.429 136.600 413.835 1.00 0.00 H new ATOM 0 HD11 LEU A 73 278.538 137.063 415.201 1.00 0.00 H new ATOM 0 HD12 LEU A 73 278.850 135.965 413.836 1.00 0.00 H new ATOM 0 HD13 LEU A 73 279.315 137.679 413.723 1.00 0.00 H new ATOM 0 HD21 LEU A 73 276.770 138.661 415.173 1.00 0.00 H new ATOM 0 HD22 LEU A 73 277.443 139.458 413.731 1.00 0.00 H new ATOM 0 HD23 LEU A 73 275.747 138.919 413.739 1.00 0.00 H new ATOM 1179 N THR A 74 274.196 138.758 411.780 1.00 0.00 N ATOM 1180 CA THR A 74 273.463 140.034 411.585 1.00 0.00 C ATOM 1181 C THR A 74 274.292 141.262 412.001 1.00 0.00 C ATOM 1182 O THR A 74 273.972 141.997 412.931 1.00 0.00 O ATOM 1183 CB THR A 74 272.075 140.034 412.217 1.00 0.00 C ATOM 1184 OG1 THR A 74 271.418 138.833 411.839 1.00 0.00 O ATOM 1185 CG2 THR A 74 271.191 141.182 411.685 1.00 0.00 C ATOM 0 H THR A 74 273.918 138.271 412.632 1.00 0.00 H new ATOM 0 HA THR A 74 273.302 140.115 410.510 1.00 0.00 H new ATOM 0 HB THR A 74 272.207 140.141 413.294 1.00 0.00 H new ATOM 0 HG1 THR A 74 270.522 138.811 412.236 1.00 0.00 H new ATOM 0 HG21 THR A 74 270.213 141.140 412.164 1.00 0.00 H new ATOM 0 HG22 THR A 74 271.664 142.139 411.908 1.00 0.00 H new ATOM 0 HG23 THR A 74 271.071 141.079 410.607 1.00 0.00 H new ATOM 1193 N LEU A 75 275.402 141.425 411.236 1.00 0.00 N ATOM 1194 CA LEU A 75 276.514 142.369 411.219 1.00 0.00 C ATOM 1195 C LEU A 75 277.673 141.434 410.855 1.00 0.00 C ATOM 1196 O LEU A 75 278.516 141.065 411.664 1.00 0.00 O ATOM 1197 CB LEU A 75 276.767 143.204 412.522 1.00 0.00 C ATOM 1198 CG LEU A 75 277.672 144.472 412.413 1.00 0.00 C ATOM 1199 CD1 LEU A 75 279.157 144.204 412.094 1.00 0.00 C ATOM 1200 CD2 LEU A 75 277.115 145.550 411.461 1.00 0.00 C ATOM 0 H LEU A 75 275.544 140.758 410.478 1.00 0.00 H new ATOM 0 HA LEU A 75 276.337 143.195 410.530 1.00 0.00 H new ATOM 0 HB2 LEU A 75 275.798 143.517 412.912 1.00 0.00 H new ATOM 0 HB3 LEU A 75 277.210 142.540 413.264 1.00 0.00 H new ATOM 0 HG LEU A 75 277.642 144.859 413.431 1.00 0.00 H new ATOM 0 HD11 LEU A 75 279.694 145.151 412.041 1.00 0.00 H new ATOM 0 HD12 LEU A 75 279.591 143.584 412.878 1.00 0.00 H new ATOM 0 HD13 LEU A 75 279.236 143.688 411.137 1.00 0.00 H new ATOM 0 HD21 LEU A 75 277.796 146.401 411.436 1.00 0.00 H new ATOM 0 HD22 LEU A 75 277.017 145.134 410.458 1.00 0.00 H new ATOM 0 HD23 LEU A 75 276.138 145.878 411.815 1.00 0.00 H new ATOM 1212 N SER A 76 277.696 140.960 409.574 1.00 0.00 N ATOM 1213 CA SER A 76 278.589 139.932 409.010 1.00 0.00 C ATOM 1214 C SER A 76 279.879 140.473 408.417 1.00 0.00 C ATOM 1215 O SER A 76 280.603 139.739 407.751 1.00 0.00 O ATOM 1216 CB SER A 76 277.898 139.126 407.887 1.00 0.00 C ATOM 1217 OG SER A 76 278.213 137.728 407.915 1.00 0.00 O ATOM 0 H SER A 76 277.046 141.316 408.873 1.00 0.00 H new ATOM 0 HA SER A 76 278.828 139.308 409.871 1.00 0.00 H new ATOM 0 HB2 SER A 76 276.818 139.250 407.972 1.00 0.00 H new ATOM 0 HB3 SER A 76 278.191 139.538 406.921 1.00 0.00 H new ATOM 0 HG SER A 76 277.746 137.273 407.183 1.00 0.00 H new ATOM 1223 N LYS A 77 280.050 141.802 408.604 1.00 0.00 N ATOM 1224 CA LYS A 77 281.030 142.744 408.084 1.00 0.00 C ATOM 1225 C LYS A 77 280.207 143.963 407.699 1.00 0.00 C ATOM 1226 O LYS A 77 280.341 145.033 408.282 1.00 0.00 O ATOM 1227 CB LYS A 77 281.919 142.275 406.893 1.00 0.00 C ATOM 1228 CG LYS A 77 282.973 143.294 406.424 1.00 0.00 C ATOM 1229 CD LYS A 77 283.857 142.734 405.300 1.00 0.00 C ATOM 1230 CE LYS A 77 284.901 143.748 404.810 1.00 0.00 C ATOM 1231 NZ LYS A 77 285.706 143.191 403.698 1.00 0.00 N1+ ATOM 0 H LYS A 77 279.399 142.295 409.216 1.00 0.00 H new ATOM 0 HA LYS A 77 281.782 142.915 408.854 1.00 0.00 H new ATOM 0 HB2 LYS A 77 282.428 141.355 407.180 1.00 0.00 H new ATOM 0 HB3 LYS A 77 281.272 142.031 406.051 1.00 0.00 H new ATOM 0 HG2 LYS A 77 282.473 144.198 406.075 1.00 0.00 H new ATOM 0 HG3 LYS A 77 283.600 143.582 407.268 1.00 0.00 H new ATOM 0 HD2 LYS A 77 284.365 141.837 405.655 1.00 0.00 H new ATOM 0 HD3 LYS A 77 283.227 142.433 404.463 1.00 0.00 H new ATOM 0 HE2 LYS A 77 284.401 144.659 404.480 1.00 0.00 H new ATOM 0 HE3 LYS A 77 285.558 144.026 405.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 286.040 143.965 403.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 286.523 142.677 404.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 285.120 142.539 403.138 1.00 0.00 H new ATOM 1245 N LEU A 78 279.288 143.801 406.711 1.00 0.00 N ATOM 1246 CA LEU A 78 278.379 144.836 406.229 1.00 0.00 C ATOM 1247 C LEU A 78 276.983 144.220 406.168 1.00 0.00 C ATOM 1248 O LEU A 78 276.214 144.429 405.232 1.00 0.00 O ATOM 1249 CB LEU A 78 278.867 145.406 404.864 1.00 0.00 C ATOM 1250 CG LEU A 78 278.247 146.758 404.430 1.00 0.00 C ATOM 1251 CD1 LEU A 78 278.641 147.916 405.366 1.00 0.00 C ATOM 1252 CD2 LEU A 78 278.648 147.099 402.983 1.00 0.00 C ATOM 0 H LEU A 78 279.168 142.913 406.223 1.00 0.00 H new ATOM 0 HA LEU A 78 278.354 145.693 406.902 1.00 0.00 H new ATOM 0 HB2 LEU A 78 279.950 145.523 404.908 1.00 0.00 H new ATOM 0 HB3 LEU A 78 278.658 144.668 404.089 1.00 0.00 H new ATOM 0 HG LEU A 78 277.165 146.639 404.491 1.00 0.00 H new ATOM 0 HD11 LEU A 78 278.180 148.840 405.016 1.00 0.00 H new ATOM 0 HD12 LEU A 78 278.297 147.699 406.377 1.00 0.00 H new ATOM 0 HD13 LEU A 78 279.725 148.030 405.368 1.00 0.00 H new ATOM 0 HD21 LEU A 78 278.203 148.052 402.697 1.00 0.00 H new ATOM 0 HD22 LEU A 78 279.733 147.170 402.913 1.00 0.00 H new ATOM 0 HD23 LEU A 78 278.292 146.317 402.313 1.00 0.00 H new ATOM 1264 N GLU A 79 276.676 143.415 407.233 1.00 0.00 N ATOM 1265 CA GLU A 79 275.471 142.621 407.523 1.00 0.00 C ATOM 1266 C GLU A 79 275.483 141.256 406.841 1.00 0.00 C ATOM 1267 O GLU A 79 276.346 140.977 406.012 1.00 0.00 O ATOM 1268 CB GLU A 79 274.122 143.318 407.294 1.00 0.00 C ATOM 1269 CG GLU A 79 273.959 144.650 408.048 1.00 0.00 C ATOM 1270 CD GLU A 79 272.611 145.274 407.695 1.00 0.00 C ATOM 1271 OE1 GLU A 79 272.608 146.387 407.103 1.00 0.00 O ATOM 1272 OE2 GLU A 79 271.565 144.648 408.014 1.00 0.00 O1- ATOM 0 H GLU A 79 277.356 143.306 407.986 1.00 0.00 H new ATOM 0 HA GLU A 79 275.542 142.487 408.602 1.00 0.00 H new ATOM 0 HB2 GLU A 79 273.998 143.501 406.227 1.00 0.00 H new ATOM 0 HB3 GLU A 79 273.322 142.643 407.597 1.00 0.00 H new ATOM 0 HG2 GLU A 79 274.023 144.482 409.123 1.00 0.00 H new ATOM 0 HG3 GLU A 79 274.768 145.331 407.783 1.00 0.00 H new ATOM 1279 N HIS A 80 274.550 140.335 407.233 1.00 0.00 N ATOM 1280 CA HIS A 80 274.472 138.920 406.818 1.00 0.00 C ATOM 1281 C HIS A 80 274.491 138.581 405.306 1.00 0.00 C ATOM 1282 O HIS A 80 273.575 138.934 404.557 1.00 0.00 O ATOM 1283 CB HIS A 80 273.272 138.177 407.510 1.00 0.00 C ATOM 1284 CG HIS A 80 271.872 138.734 407.347 1.00 0.00 C ATOM 1285 ND1 HIS A 80 271.322 139.112 406.144 1.00 0.00 N ATOM 1286 CD2 HIS A 80 270.858 138.824 408.252 1.00 0.00 C ATOM 1287 CE1 HIS A 80 270.021 139.413 406.368 1.00 0.00 C ATOM 1288 NE2 HIS A 80 269.693 139.252 407.635 1.00 0.00 N ATOM 0 H HIS A 80 273.801 140.584 407.879 1.00 0.00 H new ATOM 0 HA HIS A 80 275.436 138.552 407.169 1.00 0.00 H new ATOM 0 HB2 HIS A 80 273.263 137.151 407.141 1.00 0.00 H new ATOM 0 HB3 HIS A 80 273.485 138.130 408.578 1.00 0.00 H new ATOM 0 HD1 HIS A 80 271.806 139.157 405.247 1.00 0.00 H new ATOM 0 HD2 HIS A 80 270.949 138.594 409.303 1.00 0.00 H new ATOM 0 HE1 HIS A 80 269.335 139.745 405.602 1.00 0.00 H new TER 1296 HIS A 80