USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=20 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 34 TYR OH : rot -136:sc= 1.29 USER MOD Set 1.2: A 49 ASN :FLIP amide:sc= 1.05 F(o=1.4,f=2.3) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -168:sc=-0.00766 (180deg=-0.236) USER MOD Single : A 4 TYR OH : rot -135:sc= 0.484 USER MOD Single : A 5 SER OG : rot -117:sc= 1.01 USER MOD Single : A 9 THR OG1 : rot -172:sc= 1.16 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -88:sc= 0.268 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -3.54! C(o=-6.3!,f=-3.5!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.413 X(o=-0.41,f=-0.046) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 110:sc= -0.0136 USER MOD Single : A 33 SER OG : rot 70:sc= 1.44 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -110:sc= -0.132 USER MOD Single : A 47 HIS : no HD1:sc= -0.793 X(o=-0.79,f=-1.1) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.024) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -164:sc= 1.18 USER MOD Single : A 62 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.197) USER MOD Single : A 74 THR OG1 : rot 42:sc= 0.0211 USER MOD Single : A 76 SER OG : rot 158:sc= 0.395 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 281.540 121.484 406.297 1.00 0.00 N ATOM 2 CA MET A 0 282.034 122.215 405.168 1.00 0.00 C ATOM 3 C MET A 0 283.537 122.049 405.154 1.00 0.00 C ATOM 4 O MET A 0 284.277 122.886 405.667 1.00 0.00 O ATOM 5 CB MET A 0 281.567 123.698 405.177 1.00 0.00 C ATOM 6 CG MET A 0 280.022 123.840 405.173 1.00 0.00 C ATOM 7 SD MET A 0 279.174 123.125 403.727 1.00 0.00 S ATOM 8 CE MET A 0 277.499 123.295 404.421 1.00 0.00 C ATOM 0 H1 MET A 0 280.505 121.401 406.231 1.00 0.00 H new ATOM 0 H2 MET A 0 281.963 120.534 406.308 1.00 0.00 H new ATOM 0 H3 MET A 0 281.792 121.985 407.173 1.00 0.00 H new ATOM 0 HA MET A 0 281.621 121.820 404.240 1.00 0.00 H new ATOM 0 HB2 MET A 0 281.971 124.196 406.058 1.00 0.00 H new ATOM 0 HB3 MET A 0 281.977 124.209 404.306 1.00 0.00 H new ATOM 0 HG2 MET A 0 279.629 123.368 406.073 1.00 0.00 H new ATOM 0 HG3 MET A 0 279.771 124.899 405.233 1.00 0.00 H new ATOM 0 HE1 MET A 0 276.769 122.916 403.706 1.00 0.00 H new ATOM 0 HE2 MET A 0 277.430 122.725 405.348 1.00 0.00 H new ATOM 0 HE3 MET A 0 277.295 124.346 404.625 1.00 0.00 H new ATOM 18 N GLY A 1 284.019 120.912 404.565 1.00 0.00 N ATOM 19 CA GLY A 1 285.419 120.463 404.490 1.00 0.00 C ATOM 20 C GLY A 1 286.326 121.227 403.553 1.00 0.00 C ATOM 21 O GLY A 1 287.498 121.444 403.844 1.00 0.00 O ATOM 0 H GLY A 1 283.390 120.254 404.106 1.00 0.00 H new ATOM 0 HA2 GLY A 1 285.846 120.511 405.492 1.00 0.00 H new ATOM 0 HA3 GLY A 1 285.425 119.415 404.191 1.00 0.00 H new ATOM 25 N ILE A 2 285.795 121.701 402.398 1.00 0.00 N ATOM 26 CA ILE A 2 286.496 122.599 401.490 1.00 0.00 C ATOM 27 C ILE A 2 285.678 123.874 401.529 1.00 0.00 C ATOM 28 O ILE A 2 284.463 123.849 401.323 1.00 0.00 O ATOM 29 CB ILE A 2 286.647 122.175 400.031 1.00 0.00 C ATOM 30 CG1 ILE A 2 286.810 120.656 399.829 1.00 0.00 C ATOM 31 CG2 ILE A 2 287.846 122.980 399.465 1.00 0.00 C ATOM 32 CD1 ILE A 2 287.111 120.327 398.362 1.00 0.00 C ATOM 0 H ILE A 2 284.856 121.458 402.081 1.00 0.00 H new ATOM 0 HA ILE A 2 287.529 122.658 401.833 1.00 0.00 H new ATOM 0 HB ILE A 2 285.728 122.398 399.489 1.00 0.00 H new ATOM 0 HG12 ILE A 2 287.617 120.286 400.462 1.00 0.00 H new ATOM 0 HG13 ILE A 2 285.900 120.144 400.141 1.00 0.00 H new ATOM 0 HG21 ILE A 2 288.001 122.715 398.419 1.00 0.00 H new ATOM 0 HG22 ILE A 2 287.637 124.047 399.542 1.00 0.00 H new ATOM 0 HG23 ILE A 2 288.744 122.744 400.035 1.00 0.00 H new ATOM 0 HD11 ILE A 2 287.222 119.249 398.246 1.00 0.00 H new ATOM 0 HD12 ILE A 2 286.291 120.677 397.735 1.00 0.00 H new ATOM 0 HD13 ILE A 2 288.035 120.821 398.060 1.00 0.00 H new ATOM 44 N ASP A 3 286.313 125.040 401.792 1.00 0.00 N ATOM 45 CA ASP A 3 285.607 126.307 401.955 1.00 0.00 C ATOM 46 C ASP A 3 285.165 127.023 400.722 1.00 0.00 C ATOM 47 O ASP A 3 285.742 128.034 400.378 1.00 0.00 O ATOM 48 CB ASP A 3 286.391 127.347 402.827 1.00 0.00 C ATOM 49 CG ASP A 3 285.677 128.639 403.281 1.00 0.00 C ATOM 50 OD1 ASP A 3 284.438 128.783 403.124 1.00 0.00 O ATOM 51 OD2 ASP A 3 286.420 129.519 403.773 1.00 0.00 O1- ATOM 0 H ASP A 3 287.325 125.116 401.895 1.00 0.00 H new ATOM 0 HA ASP A 3 284.707 125.947 402.454 1.00 0.00 H new ATOM 0 HB2 ASP A 3 286.736 126.831 403.723 1.00 0.00 H new ATOM 0 HB3 ASP A 3 287.279 127.642 402.267 1.00 0.00 H new ATOM 56 N TYR A 4 284.105 126.554 400.062 1.00 0.00 N ATOM 57 CA TYR A 4 283.167 127.347 399.291 1.00 0.00 C ATOM 58 C TYR A 4 282.150 128.148 400.140 1.00 0.00 C ATOM 59 O TYR A 4 281.934 129.342 399.971 1.00 0.00 O ATOM 60 CB TYR A 4 282.535 126.580 398.136 1.00 0.00 C ATOM 61 CG TYR A 4 283.501 125.627 397.579 1.00 0.00 C ATOM 62 CD1 TYR A 4 283.540 124.306 397.988 1.00 0.00 C ATOM 63 CD2 TYR A 4 284.375 126.094 396.643 1.00 0.00 C ATOM 64 CE1 TYR A 4 284.496 123.461 397.478 1.00 0.00 C ATOM 65 CE2 TYR A 4 285.300 125.235 396.131 1.00 0.00 C ATOM 66 CZ TYR A 4 285.401 123.935 396.569 1.00 0.00 C ATOM 67 OH TYR A 4 286.326 123.060 395.977 1.00 0.00 O ATOM 0 H TYR A 4 283.873 125.561 400.055 1.00 0.00 H new ATOM 0 HA TYR A 4 283.781 128.117 398.825 1.00 0.00 H new ATOM 0 HB2 TYR A 4 281.648 126.050 398.483 1.00 0.00 H new ATOM 0 HB3 TYR A 4 282.209 127.275 397.362 1.00 0.00 H new ATOM 0 HD1 TYR A 4 282.821 123.940 398.706 1.00 0.00 H new ATOM 0 HD2 TYR A 4 284.335 127.122 396.315 1.00 0.00 H new ATOM 0 HE1 TYR A 4 284.532 122.429 397.793 1.00 0.00 H new ATOM 0 HE2 TYR A 4 285.972 125.584 395.361 1.00 0.00 H new ATOM 0 HH TYR A 4 287.216 123.470 395.986 1.00 0.00 H new ATOM 77 N SER A 5 281.412 127.410 401.040 1.00 0.00 N ATOM 78 CA SER A 5 280.158 127.834 401.709 1.00 0.00 C ATOM 79 C SER A 5 280.058 129.104 402.557 1.00 0.00 C ATOM 80 O SER A 5 279.178 129.909 402.274 1.00 0.00 O ATOM 81 CB SER A 5 279.344 126.660 402.320 1.00 0.00 C ATOM 82 OG SER A 5 277.960 126.821 402.016 1.00 0.00 O ATOM 0 H SER A 5 281.698 126.471 401.319 1.00 0.00 H new ATOM 0 HA SER A 5 279.690 128.220 400.803 1.00 0.00 H new ATOM 0 HB2 SER A 5 279.705 125.711 401.924 1.00 0.00 H new ATOM 0 HB3 SER A 5 279.487 126.630 403.400 1.00 0.00 H new ATOM 0 HG SER A 5 277.454 126.940 402.847 1.00 0.00 H new ATOM 88 N GLY A 6 280.985 129.457 403.524 1.00 0.00 N ATOM 89 CA GLY A 6 281.087 130.766 404.160 1.00 0.00 C ATOM 90 C GLY A 6 281.301 131.886 403.165 1.00 0.00 C ATOM 91 O GLY A 6 280.854 133.003 403.325 1.00 0.00 O ATOM 0 H GLY A 6 281.684 128.799 403.868 1.00 0.00 H new ATOM 0 HA2 GLY A 6 280.178 130.960 404.729 1.00 0.00 H new ATOM 0 HA3 GLY A 6 281.912 130.756 404.872 1.00 0.00 H new ATOM 95 N LEU A 7 281.951 131.589 402.015 1.00 0.00 N ATOM 96 CA LEU A 7 282.163 132.522 400.930 1.00 0.00 C ATOM 97 C LEU A 7 280.911 132.725 400.086 1.00 0.00 C ATOM 98 O LEU A 7 280.558 133.864 399.791 1.00 0.00 O ATOM 99 CB LEU A 7 283.425 132.253 400.111 1.00 0.00 C ATOM 100 CG LEU A 7 284.732 132.018 400.922 1.00 0.00 C ATOM 101 CD1 LEU A 7 284.781 131.914 402.450 1.00 0.00 C ATOM 102 CD2 LEU A 7 285.223 130.686 400.477 1.00 0.00 C ATOM 0 H LEU A 7 282.345 130.666 401.831 1.00 0.00 H new ATOM 0 HA LEU A 7 282.362 133.483 401.405 1.00 0.00 H new ATOM 0 HB2 LEU A 7 283.248 131.378 399.486 1.00 0.00 H new ATOM 0 HB3 LEU A 7 283.585 133.097 399.440 1.00 0.00 H new ATOM 0 HG LEU A 7 285.275 132.941 400.721 1.00 0.00 H new ATOM 0 HD11 LEU A 7 285.810 131.749 402.771 1.00 0.00 H new ATOM 0 HD12 LEU A 7 284.408 132.839 402.890 1.00 0.00 H new ATOM 0 HD13 LEU A 7 284.161 131.080 402.778 1.00 0.00 H new ATOM 0 HD21 LEU A 7 286.146 130.444 401.004 1.00 0.00 H new ATOM 0 HD22 LEU A 7 284.470 129.929 400.697 1.00 0.00 H new ATOM 0 HD23 LEU A 7 285.413 130.708 399.404 1.00 0.00 H new ATOM 114 N ARG A 8 280.171 131.627 399.724 1.00 0.00 N ATOM 115 CA ARG A 8 278.870 131.720 399.039 1.00 0.00 C ATOM 116 C ARG A 8 277.718 132.278 399.867 1.00 0.00 C ATOM 117 O ARG A 8 276.893 133.029 399.348 1.00 0.00 O ATOM 118 CB ARG A 8 278.421 130.462 398.201 1.00 0.00 C ATOM 119 CG ARG A 8 279.390 129.250 398.102 1.00 0.00 C ATOM 120 CD ARG A 8 278.869 128.138 397.146 1.00 0.00 C ATOM 121 NE ARG A 8 279.739 126.867 397.043 1.00 0.00 N ATOM 122 CZ ARG A 8 279.338 125.711 397.658 1.00 0.00 C ATOM 123 NH1 ARG A 8 278.517 125.727 398.743 1.00 0.00 N1+ ATOM 124 NH2 ARG A 8 279.845 124.537 397.181 1.00 0.00 N ATOM 0 H ARG A 8 280.471 130.669 399.904 1.00 0.00 H new ATOM 0 HA ARG A 8 279.113 132.485 398.302 1.00 0.00 H new ATOM 0 HB2 ARG A 8 277.482 130.102 398.622 1.00 0.00 H new ATOM 0 HB3 ARG A 8 278.207 130.799 397.187 1.00 0.00 H new ATOM 0 HG2 ARG A 8 280.363 129.596 397.753 1.00 0.00 H new ATOM 0 HG3 ARG A 8 279.539 128.828 399.096 1.00 0.00 H new ATOM 0 HD2 ARG A 8 277.871 127.845 397.473 1.00 0.00 H new ATOM 0 HD3 ARG A 8 278.765 128.564 396.148 1.00 0.00 H new ATOM 0 HE ARG A 8 280.613 126.888 396.517 1.00 0.00 H new ATOM 0 HH11 ARG A 8 278.185 126.615 399.118 1.00 0.00 H new ATOM 0 HH12 ARG A 8 278.234 124.851 399.181 1.00 0.00 H new ATOM 0 HH21 ARG A 8 280.496 124.544 396.396 1.00 0.00 H new ATOM 0 HH22 ARG A 8 279.573 123.652 397.610 1.00 0.00 H new ATOM 138 N THR A 9 277.689 131.965 401.182 1.00 0.00 N ATOM 139 CA THR A 9 276.714 132.481 402.136 1.00 0.00 C ATOM 140 C THR A 9 277.036 133.880 402.676 1.00 0.00 C ATOM 141 O THR A 9 276.125 134.672 402.895 1.00 0.00 O ATOM 142 CB THR A 9 276.464 131.417 403.178 1.00 0.00 C ATOM 143 OG1 THR A 9 275.133 131.423 403.660 1.00 0.00 O ATOM 144 CG2 THR A 9 277.417 131.468 404.380 1.00 0.00 C ATOM 0 H THR A 9 278.365 131.330 401.607 1.00 0.00 H new ATOM 0 HA THR A 9 275.772 132.674 401.623 1.00 0.00 H new ATOM 0 HB THR A 9 276.656 130.491 402.637 1.00 0.00 H new ATOM 0 HG1 THR A 9 275.055 130.802 404.414 1.00 0.00 H new ATOM 0 HG21 THR A 9 277.166 130.669 405.078 1.00 0.00 H new ATOM 0 HG22 THR A 9 278.443 131.340 404.036 1.00 0.00 H new ATOM 0 HG23 THR A 9 277.320 132.431 404.881 1.00 0.00 H new ATOM 152 N ILE A 10 278.342 134.264 402.853 1.00 0.00 N ATOM 153 CA ILE A 10 278.749 135.624 403.247 1.00 0.00 C ATOM 154 C ILE A 10 278.968 136.569 402.026 1.00 0.00 C ATOM 155 O ILE A 10 278.626 137.748 402.131 1.00 0.00 O ATOM 156 CB ILE A 10 279.940 135.681 404.264 1.00 0.00 C ATOM 157 CG1 ILE A 10 279.617 135.131 405.692 1.00 0.00 C ATOM 158 CG2 ILE A 10 280.449 137.126 404.514 1.00 0.00 C ATOM 159 CD1 ILE A 10 279.801 133.638 406.015 1.00 0.00 C ATOM 0 H ILE A 10 279.128 133.628 402.723 1.00 0.00 H new ATOM 0 HA ILE A 10 277.892 136.010 403.799 1.00 0.00 H new ATOM 0 HB ILE A 10 280.681 135.051 403.771 1.00 0.00 H new ATOM 0 HG12 ILE A 10 280.230 135.691 406.398 1.00 0.00 H new ATOM 0 HG13 ILE A 10 278.577 135.380 405.905 1.00 0.00 H new ATOM 0 HG21 ILE A 10 281.274 137.103 405.226 1.00 0.00 H new ATOM 0 HG22 ILE A 10 280.793 137.558 403.574 1.00 0.00 H new ATOM 0 HG23 ILE A 10 279.638 137.733 404.917 1.00 0.00 H new ATOM 0 HD11 ILE A 10 279.526 133.454 407.053 1.00 0.00 H new ATOM 0 HD12 ILE A 10 279.165 133.043 405.360 1.00 0.00 H new ATOM 0 HD13 ILE A 10 280.843 133.358 405.861 1.00 0.00 H new ATOM 171 N PHE A 11 279.556 136.155 400.852 1.00 0.00 N ATOM 172 CA PHE A 11 279.907 137.128 399.792 1.00 0.00 C ATOM 173 C PHE A 11 279.025 137.003 398.554 1.00 0.00 C ATOM 174 O PHE A 11 278.890 137.939 397.763 1.00 0.00 O ATOM 175 CB PHE A 11 281.431 137.096 399.434 1.00 0.00 C ATOM 176 CG PHE A 11 282.249 137.295 400.696 1.00 0.00 C ATOM 177 CD1 PHE A 11 282.352 138.520 401.331 1.00 0.00 C ATOM 178 CD2 PHE A 11 282.846 136.205 401.297 1.00 0.00 C ATOM 179 CE1 PHE A 11 283.021 138.632 402.539 1.00 0.00 C ATOM 180 CE2 PHE A 11 283.440 136.285 402.538 1.00 0.00 C ATOM 181 CZ PHE A 11 283.557 137.514 403.153 1.00 0.00 C ATOM 0 H PHE A 11 279.784 135.185 400.634 1.00 0.00 H new ATOM 0 HA PHE A 11 279.702 138.112 400.213 1.00 0.00 H new ATOM 0 HB2 PHE A 11 281.687 136.144 398.968 1.00 0.00 H new ATOM 0 HB3 PHE A 11 281.662 137.878 398.710 1.00 0.00 H new ATOM 0 HD1 PHE A 11 281.907 139.396 400.881 1.00 0.00 H new ATOM 0 HD2 PHE A 11 282.848 135.258 400.777 1.00 0.00 H new ATOM 0 HE1 PHE A 11 283.125 139.600 403.005 1.00 0.00 H new ATOM 0 HE2 PHE A 11 283.810 135.394 403.024 1.00 0.00 H new ATOM 0 HZ PHE A 11 284.062 137.603 404.104 1.00 0.00 H new ATOM 191 N GLY A 12 278.356 135.834 398.382 1.00 0.00 N ATOM 192 CA GLY A 12 277.351 135.583 397.345 1.00 0.00 C ATOM 193 C GLY A 12 277.883 135.115 396.013 1.00 0.00 C ATOM 194 O GLY A 12 277.937 133.918 395.733 1.00 0.00 O ATOM 0 H GLY A 12 278.513 135.025 398.983 1.00 0.00 H new ATOM 0 HA2 GLY A 12 276.651 134.836 397.718 1.00 0.00 H new ATOM 0 HA3 GLY A 12 276.784 136.500 397.186 1.00 0.00 H new ATOM 198 N GLU A 13 278.278 136.087 395.146 1.00 0.00 N ATOM 199 CA GLU A 13 278.715 135.953 393.753 1.00 0.00 C ATOM 200 C GLU A 13 279.994 135.161 393.477 1.00 0.00 C ATOM 201 O GLU A 13 280.034 134.320 392.583 1.00 0.00 O ATOM 202 CB GLU A 13 278.803 137.369 393.116 1.00 0.00 C ATOM 203 CG GLU A 13 278.984 137.396 391.582 1.00 0.00 C ATOM 204 CD GLU A 13 278.946 138.842 391.086 1.00 0.00 C ATOM 205 OE1 GLU A 13 277.878 139.495 391.239 1.00 0.00 O ATOM 206 OE2 GLU A 13 279.982 139.313 390.545 1.00 0.00 O1- ATOM 0 H GLU A 13 278.296 137.063 395.442 1.00 0.00 H new ATOM 0 HA GLU A 13 277.950 135.330 393.290 1.00 0.00 H new ATOM 0 HB2 GLU A 13 277.896 137.919 393.367 1.00 0.00 H new ATOM 0 HB3 GLU A 13 279.636 137.903 393.573 1.00 0.00 H new ATOM 0 HG2 GLU A 13 279.932 136.932 391.309 1.00 0.00 H new ATOM 0 HG3 GLU A 13 278.196 136.816 391.102 1.00 0.00 H new ATOM 213 N LYS A 14 281.077 135.414 394.247 1.00 0.00 N ATOM 214 CA LYS A 14 282.335 134.706 394.100 1.00 0.00 C ATOM 215 C LYS A 14 282.941 134.385 395.461 1.00 0.00 C ATOM 216 O LYS A 14 282.351 134.493 396.537 1.00 0.00 O ATOM 217 CB LYS A 14 283.364 135.481 393.200 1.00 0.00 C ATOM 218 CG LYS A 14 284.266 134.593 392.306 1.00 0.00 C ATOM 219 CD LYS A 14 285.688 135.157 392.109 1.00 0.00 C ATOM 220 CE LYS A 14 285.715 136.494 391.354 1.00 0.00 C ATOM 221 NZ LYS A 14 287.109 136.957 391.147 1.00 0.00 N1+ ATOM 0 H LYS A 14 281.086 136.119 394.984 1.00 0.00 H new ATOM 0 HA LYS A 14 282.110 133.770 393.588 1.00 0.00 H new ATOM 0 HB2 LYS A 14 282.814 136.171 392.560 1.00 0.00 H new ATOM 0 HB3 LYS A 14 284.002 136.085 393.845 1.00 0.00 H new ATOM 0 HG2 LYS A 14 284.336 133.600 392.749 1.00 0.00 H new ATOM 0 HG3 LYS A 14 283.793 134.475 391.331 1.00 0.00 H new ATOM 0 HD2 LYS A 14 286.157 135.289 393.084 1.00 0.00 H new ATOM 0 HD3 LYS A 14 286.288 134.428 391.564 1.00 0.00 H new ATOM 0 HE2 LYS A 14 285.218 136.382 390.390 1.00 0.00 H new ATOM 0 HE3 LYS A 14 285.158 137.244 391.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 287.102 137.862 390.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 287.573 137.085 392.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 287.631 136.249 390.592 1.00 0.00 H new ATOM 235 N LEU A 15 284.216 133.987 395.356 1.00 0.00 N ATOM 236 CA LEU A 15 285.160 133.600 396.355 1.00 0.00 C ATOM 237 C LEU A 15 286.174 134.736 396.535 1.00 0.00 C ATOM 238 O LEU A 15 286.777 135.139 395.535 1.00 0.00 O ATOM 239 CB LEU A 15 285.958 132.415 395.784 1.00 0.00 C ATOM 240 CG LEU A 15 285.215 131.091 395.622 1.00 0.00 C ATOM 241 CD1 LEU A 15 285.961 130.290 394.557 1.00 0.00 C ATOM 242 CD2 LEU A 15 285.194 130.358 396.962 1.00 0.00 C ATOM 0 H LEU A 15 284.644 133.930 394.432 1.00 0.00 H new ATOM 0 HA LEU A 15 284.651 133.363 397.290 1.00 0.00 H new ATOM 0 HB2 LEU A 15 286.346 132.707 394.808 1.00 0.00 H new ATOM 0 HB3 LEU A 15 286.818 132.243 396.431 1.00 0.00 H new ATOM 0 HG LEU A 15 284.180 131.239 395.314 1.00 0.00 H new ATOM 0 HD11 LEU A 15 285.463 129.332 394.407 1.00 0.00 H new ATOM 0 HD12 LEU A 15 285.966 130.847 393.620 1.00 0.00 H new ATOM 0 HD13 LEU A 15 286.987 130.119 394.883 1.00 0.00 H new ATOM 0 HD21 LEU A 15 284.664 129.412 396.851 1.00 0.00 H new ATOM 0 HD22 LEU A 15 286.216 130.165 397.287 1.00 0.00 H new ATOM 0 HD23 LEU A 15 284.686 130.973 397.705 1.00 0.00 H new ATOM 254 N PRO A 16 286.453 135.254 397.728 1.00 0.00 N ATOM 255 CA PRO A 16 287.400 136.326 397.964 1.00 0.00 C ATOM 256 C PRO A 16 288.878 135.974 397.866 1.00 0.00 C ATOM 257 O PRO A 16 289.302 134.832 397.667 1.00 0.00 O ATOM 258 CB PRO A 16 287.113 136.696 399.430 1.00 0.00 C ATOM 259 CG PRO A 16 286.687 135.374 400.063 1.00 0.00 C ATOM 260 CD PRO A 16 285.795 134.857 398.956 1.00 0.00 C ATOM 0 HA PRO A 16 287.262 137.093 397.202 1.00 0.00 H new ATOM 0 HB2 PRO A 16 287.996 137.107 399.919 1.00 0.00 H new ATOM 0 HB3 PRO A 16 286.327 137.448 399.506 1.00 0.00 H new ATOM 0 HG2 PRO A 16 287.530 134.714 400.267 1.00 0.00 H new ATOM 0 HG3 PRO A 16 286.154 135.510 401.004 1.00 0.00 H new ATOM 0 HD2 PRO A 16 285.684 133.774 399.012 1.00 0.00 H new ATOM 0 HD3 PRO A 16 284.794 135.284 399.023 1.00 0.00 H new ATOM 268 N GLU A 17 289.616 137.075 398.115 1.00 0.00 N ATOM 269 CA GLU A 17 291.021 137.329 398.212 1.00 0.00 C ATOM 270 C GLU A 17 291.569 136.926 399.585 1.00 0.00 C ATOM 271 O GLU A 17 290.894 137.044 400.617 1.00 0.00 O ATOM 272 CB GLU A 17 291.170 138.870 398.059 1.00 0.00 C ATOM 273 CG GLU A 17 292.631 139.326 397.917 1.00 0.00 C ATOM 274 CD GLU A 17 292.721 140.809 397.562 1.00 0.00 C ATOM 275 OE1 GLU A 17 293.362 141.567 398.339 1.00 0.00 O ATOM 276 OE2 GLU A 17 292.160 141.204 396.505 1.00 0.00 O1- ATOM 0 H GLU A 17 289.117 137.950 398.278 1.00 0.00 H new ATOM 0 HA GLU A 17 291.567 136.761 397.458 1.00 0.00 H new ATOM 0 HB2 GLU A 17 290.607 139.198 397.185 1.00 0.00 H new ATOM 0 HB3 GLU A 17 290.726 139.359 398.926 1.00 0.00 H new ATOM 0 HG2 GLU A 17 293.164 139.141 398.850 1.00 0.00 H new ATOM 0 HG3 GLU A 17 293.125 138.735 397.145 1.00 0.00 H new ATOM 283 N SER A 18 292.851 136.491 399.635 1.00 0.00 N ATOM 284 CA SER A 18 293.569 136.003 400.811 1.00 0.00 C ATOM 285 C SER A 18 293.649 136.832 402.085 1.00 0.00 C ATOM 286 O SER A 18 293.777 136.249 403.159 1.00 0.00 O ATOM 287 CB SER A 18 295.007 135.544 400.502 1.00 0.00 C ATOM 288 OG SER A 18 295.085 134.995 399.189 1.00 0.00 O ATOM 0 H SER A 18 293.436 136.475 398.800 1.00 0.00 H new ATOM 0 HA SER A 18 292.879 135.193 401.046 1.00 0.00 H new ATOM 0 HB2 SER A 18 295.691 136.388 400.591 1.00 0.00 H new ATOM 0 HB3 SER A 18 295.322 134.800 401.233 1.00 0.00 H new ATOM 0 HG SER A 18 294.872 134.039 399.221 1.00 0.00 H new ATOM 294 N HIS A 19 293.537 138.199 401.997 1.00 0.00 N ATOM 295 CA HIS A 19 293.531 139.178 403.099 1.00 0.00 C ATOM 296 C HIS A 19 292.341 138.993 404.037 1.00 0.00 C ATOM 297 O HIS A 19 292.512 138.891 405.245 1.00 0.00 O ATOM 298 CB HIS A 19 293.623 140.674 402.612 1.00 0.00 C ATOM 299 CG HIS A 19 292.515 141.165 401.693 1.00 0.00 C ATOM 300 ND1 HIS A 19 291.602 140.439 401.006 1.00 0.00 N flip ATOM 301 CD2 HIS A 19 292.223 142.485 401.389 1.00 0.00 C flip ATOM 302 CE1 HIS A 19 290.739 141.252 400.317 1.00 0.00 C flip ATOM 303 NE2 HIS A 19 291.142 142.461 400.561 1.00 0.00 N flip ATOM 0 H HIS A 19 293.444 138.657 401.091 1.00 0.00 H new ATOM 0 HA HIS A 19 294.442 138.970 403.661 1.00 0.00 H new ATOM 0 HB2 HIS A 19 293.645 141.317 403.492 1.00 0.00 H new ATOM 0 HB3 HIS A 19 294.575 140.806 402.097 1.00 0.00 H new ATOM 0 HD2 HIS A 19 292.749 143.361 401.740 1.00 0.00 H new ATOM 0 HE1 HIS A 19 289.903 140.951 399.703 1.00 0.00 H new ATOM 0 HE2 HIS A 19 290.700 143.297 400.177 1.00 0.00 H new ATOM 311 N ILE A 20 291.102 138.843 403.479 1.00 0.00 N ATOM 312 CA ILE A 20 289.907 138.385 404.188 1.00 0.00 C ATOM 313 C ILE A 20 289.901 136.897 404.373 1.00 0.00 C ATOM 314 O ILE A 20 289.479 136.406 405.423 1.00 0.00 O ATOM 315 CB ILE A 20 288.539 138.838 403.605 1.00 0.00 C ATOM 316 CG1 ILE A 20 287.726 137.760 402.829 1.00 0.00 C ATOM 317 CG2 ILE A 20 288.743 140.048 402.674 1.00 0.00 C ATOM 318 CD1 ILE A 20 286.509 138.326 402.117 1.00 0.00 C ATOM 0 H ILE A 20 290.922 139.048 402.496 1.00 0.00 H new ATOM 0 HA ILE A 20 289.995 138.891 405.149 1.00 0.00 H new ATOM 0 HB ILE A 20 287.945 139.078 404.487 1.00 0.00 H new ATOM 0 HG12 ILE A 20 288.376 137.280 402.098 1.00 0.00 H new ATOM 0 HG13 ILE A 20 287.404 136.986 403.525 1.00 0.00 H new ATOM 0 HG21 ILE A 20 287.781 140.361 402.268 1.00 0.00 H new ATOM 0 HG22 ILE A 20 289.184 140.870 403.237 1.00 0.00 H new ATOM 0 HG23 ILE A 20 289.408 139.770 401.857 1.00 0.00 H new ATOM 0 HD11 ILE A 20 285.987 137.524 401.596 1.00 0.00 H new ATOM 0 HD12 ILE A 20 285.839 138.781 402.847 1.00 0.00 H new ATOM 0 HD13 ILE A 20 286.827 139.080 401.397 1.00 0.00 H new ATOM 330 N PHE A 21 290.326 136.121 403.313 1.00 0.00 N ATOM 331 CA PHE A 21 290.162 134.673 403.261 1.00 0.00 C ATOM 332 C PHE A 21 291.033 133.956 404.323 1.00 0.00 C ATOM 333 O PHE A 21 290.477 133.218 405.133 1.00 0.00 O ATOM 334 CB PHE A 21 290.142 134.125 401.771 1.00 0.00 C ATOM 335 CG PHE A 21 289.443 132.779 401.484 1.00 0.00 C ATOM 336 CD1 PHE A 21 289.141 132.326 400.192 1.00 0.00 C ATOM 337 CD2 PHE A 21 289.181 131.874 402.487 1.00 0.00 C ATOM 338 CE1 PHE A 21 288.735 131.012 399.977 1.00 0.00 C ATOM 339 CE2 PHE A 21 288.865 130.566 402.270 1.00 0.00 C ATOM 340 CZ PHE A 21 288.684 130.099 401.009 1.00 0.00 C ATOM 0 H PHE A 21 290.786 136.509 402.489 1.00 0.00 H new ATOM 0 HA PHE A 21 289.161 134.393 403.590 1.00 0.00 H new ATOM 0 HB2 PHE A 21 289.668 134.883 401.147 1.00 0.00 H new ATOM 0 HB3 PHE A 21 291.176 134.038 401.437 1.00 0.00 H new ATOM 0 HD1 PHE A 21 289.224 133.003 399.355 1.00 0.00 H new ATOM 0 HD2 PHE A 21 289.229 132.221 403.509 1.00 0.00 H new ATOM 0 HE1 PHE A 21 288.454 130.701 398.982 1.00 0.00 H new ATOM 0 HE2 PHE A 21 288.758 129.895 403.110 1.00 0.00 H new ATOM 0 HZ PHE A 21 288.506 129.050 400.821 1.00 0.00 H new ATOM 350 N PHE A 22 292.378 134.195 404.449 1.00 0.00 N ATOM 351 CA PHE A 22 293.208 133.601 405.522 1.00 0.00 C ATOM 352 C PHE A 22 292.977 134.281 406.906 1.00 0.00 C ATOM 353 O PHE A 22 293.376 133.695 407.908 1.00 0.00 O ATOM 354 CB PHE A 22 294.785 133.506 405.274 1.00 0.00 C ATOM 355 CG PHE A 22 295.293 132.412 404.316 1.00 0.00 C ATOM 356 CD1 PHE A 22 295.830 132.789 403.096 1.00 0.00 C ATOM 357 CD2 PHE A 22 295.402 131.048 404.620 1.00 0.00 C ATOM 358 CE1 PHE A 22 296.222 131.866 402.139 1.00 0.00 C ATOM 359 CE2 PHE A 22 295.741 130.119 403.664 1.00 0.00 C ATOM 360 CZ PHE A 22 296.082 130.517 402.397 1.00 0.00 C ATOM 0 H PHE A 22 292.900 134.798 403.813 1.00 0.00 H new ATOM 0 HA PHE A 22 292.842 132.574 405.511 1.00 0.00 H new ATOM 0 HB2 PHE A 22 295.124 134.469 404.893 1.00 0.00 H new ATOM 0 HB3 PHE A 22 295.268 133.357 406.240 1.00 0.00 H new ATOM 0 HD1 PHE A 22 295.948 133.841 402.883 1.00 0.00 H new ATOM 0 HD2 PHE A 22 295.215 130.718 405.631 1.00 0.00 H new ATOM 0 HE1 PHE A 22 296.634 132.200 401.198 1.00 0.00 H new ATOM 0 HE2 PHE A 22 295.739 129.068 403.913 1.00 0.00 H new ATOM 0 HZ PHE A 22 296.238 129.789 401.615 1.00 0.00 H new ATOM 370 N ALA A 23 292.361 135.514 407.019 1.00 0.00 N ATOM 371 CA ALA A 23 292.210 136.196 408.315 1.00 0.00 C ATOM 372 C ALA A 23 290.808 136.386 408.927 1.00 0.00 C ATOM 373 O ALA A 23 290.701 136.620 410.129 1.00 0.00 O ATOM 374 CB ALA A 23 292.914 137.569 408.244 1.00 0.00 C ATOM 0 H ALA A 23 291.975 136.029 406.228 1.00 0.00 H new ATOM 0 HA ALA A 23 292.666 135.483 409.002 1.00 0.00 H new ATOM 0 HB1 ALA A 23 292.808 138.082 409.200 1.00 0.00 H new ATOM 0 HB2 ALA A 23 293.972 137.425 408.025 1.00 0.00 H new ATOM 0 HB3 ALA A 23 292.460 138.171 407.457 1.00 0.00 H new ATOM 380 N THR A 24 289.688 136.334 408.153 1.00 0.00 N ATOM 381 CA THR A 24 288.317 136.587 408.646 1.00 0.00 C ATOM 382 C THR A 24 287.574 135.269 408.858 1.00 0.00 C ATOM 383 O THR A 24 287.571 134.410 407.979 1.00 0.00 O ATOM 384 CB THR A 24 287.507 137.472 407.673 1.00 0.00 C ATOM 385 OG1 THR A 24 288.235 138.648 407.345 1.00 0.00 O ATOM 386 CG2 THR A 24 286.173 137.976 408.261 1.00 0.00 C ATOM 0 H THR A 24 289.720 136.112 407.158 1.00 0.00 H new ATOM 0 HA THR A 24 288.413 137.117 409.594 1.00 0.00 H new ATOM 0 HB THR A 24 287.318 136.831 406.812 1.00 0.00 H new ATOM 0 HG1 THR A 24 287.709 139.197 406.727 1.00 0.00 H new ATOM 0 HG21 THR A 24 285.659 138.591 407.522 1.00 0.00 H new ATOM 0 HG22 THR A 24 285.546 137.124 408.524 1.00 0.00 H new ATOM 0 HG23 THR A 24 286.370 138.570 409.153 1.00 0.00 H new ATOM 394 N VAL A 25 286.856 135.073 410.013 1.00 0.00 N ATOM 395 CA VAL A 25 286.045 133.897 410.448 1.00 0.00 C ATOM 396 C VAL A 25 284.960 133.484 409.488 1.00 0.00 C ATOM 397 O VAL A 25 284.658 132.303 409.393 1.00 0.00 O ATOM 398 CB VAL A 25 285.418 134.009 411.852 1.00 0.00 C ATOM 399 CG1 VAL A 25 284.939 132.627 412.372 1.00 0.00 C ATOM 400 CG2 VAL A 25 286.433 134.601 412.854 1.00 0.00 C ATOM 0 H VAL A 25 286.832 135.805 410.723 1.00 0.00 H new ATOM 0 HA VAL A 25 286.814 133.125 410.472 1.00 0.00 H new ATOM 0 HB VAL A 25 284.556 134.671 411.768 1.00 0.00 H new ATOM 0 HG11 VAL A 25 284.502 132.743 413.364 1.00 0.00 H new ATOM 0 HG12 VAL A 25 284.191 132.222 411.691 1.00 0.00 H new ATOM 0 HG13 VAL A 25 285.787 131.945 412.426 1.00 0.00 H new ATOM 0 HG21 VAL A 25 285.972 134.672 413.839 1.00 0.00 H new ATOM 0 HG22 VAL A 25 287.309 133.955 412.909 1.00 0.00 H new ATOM 0 HG23 VAL A 25 286.735 135.594 412.522 1.00 0.00 H new ATOM 410 N ALA A 26 284.459 134.446 408.646 1.00 0.00 N ATOM 411 CA ALA A 26 283.531 134.342 407.519 1.00 0.00 C ATOM 412 C ALA A 26 283.948 133.231 406.557 1.00 0.00 C ATOM 413 O ALA A 26 283.139 132.448 406.076 1.00 0.00 O ATOM 414 CB ALA A 26 283.537 135.694 406.755 1.00 0.00 C ATOM 0 H ALA A 26 284.743 135.417 408.776 1.00 0.00 H new ATOM 0 HA ALA A 26 282.538 134.108 407.902 1.00 0.00 H new ATOM 0 HB1 ALA A 26 282.851 135.637 405.910 1.00 0.00 H new ATOM 0 HB2 ALA A 26 283.221 136.493 407.426 1.00 0.00 H new ATOM 0 HB3 ALA A 26 284.543 135.902 406.392 1.00 0.00 H new ATOM 420 N ALA A 27 285.277 133.114 406.378 1.00 0.00 N ATOM 421 CA ALA A 27 285.934 132.032 405.707 1.00 0.00 C ATOM 422 C ALA A 27 286.753 131.089 406.602 1.00 0.00 C ATOM 423 O ALA A 27 286.739 129.873 406.413 1.00 0.00 O ATOM 424 CB ALA A 27 286.869 132.742 404.728 1.00 0.00 C ATOM 0 H ALA A 27 285.932 133.816 406.722 1.00 0.00 H new ATOM 0 HA ALA A 27 285.189 131.374 405.261 1.00 0.00 H new ATOM 0 HB1 ALA A 27 287.427 132.001 404.156 1.00 0.00 H new ATOM 0 HB2 ALA A 27 286.283 133.359 404.048 1.00 0.00 H new ATOM 0 HB3 ALA A 27 287.565 133.373 405.282 1.00 0.00 H new ATOM 430 N HIS A 28 287.494 131.618 407.631 1.00 0.00 N ATOM 431 CA HIS A 28 288.424 130.884 408.522 1.00 0.00 C ATOM 432 C HIS A 28 287.826 129.762 409.385 1.00 0.00 C ATOM 433 O HIS A 28 288.530 128.863 409.836 1.00 0.00 O ATOM 434 CB HIS A 28 289.327 131.844 409.360 1.00 0.00 C ATOM 435 CG HIS A 28 290.393 131.197 410.230 1.00 0.00 C ATOM 436 ND1 HIS A 28 290.758 131.676 411.471 1.00 0.00 N ATOM 437 CD2 HIS A 28 291.168 130.091 410.022 1.00 0.00 C ATOM 438 CE1 HIS A 28 291.710 130.838 411.955 1.00 0.00 C ATOM 439 NE2 HIS A 28 291.989 129.860 411.117 1.00 0.00 N ATOM 0 H HIS A 28 287.448 132.611 407.861 1.00 0.00 H new ATOM 0 HA HIS A 28 289.050 130.342 407.813 1.00 0.00 H new ATOM 0 HB2 HIS A 28 289.820 132.532 408.673 1.00 0.00 H new ATOM 0 HB3 HIS A 28 288.682 132.443 410.002 1.00 0.00 H new ATOM 0 HD2 HIS A 28 291.145 129.482 409.130 1.00 0.00 H new ATOM 0 HE1 HIS A 28 292.185 130.959 412.917 1.00 0.00 H new ATOM 0 HE2 HIS A 28 292.659 129.102 411.245 1.00 0.00 H new ATOM 447 N LYS A 29 286.479 129.754 409.583 1.00 0.00 N ATOM 448 CA LYS A 29 285.691 128.737 410.278 1.00 0.00 C ATOM 449 C LYS A 29 285.710 127.336 409.633 1.00 0.00 C ATOM 450 O LYS A 29 285.364 126.341 410.258 1.00 0.00 O ATOM 451 CB LYS A 29 284.218 129.260 410.421 1.00 0.00 C ATOM 452 CG LYS A 29 283.338 129.221 409.141 1.00 0.00 C ATOM 453 CD LYS A 29 282.355 130.377 408.878 1.00 0.00 C ATOM 454 CE LYS A 29 281.639 130.939 410.111 1.00 0.00 C ATOM 455 NZ LYS A 29 280.721 132.037 409.725 1.00 0.00 N1+ ATOM 0 H LYS A 29 285.892 130.512 409.234 1.00 0.00 H new ATOM 0 HA LYS A 29 286.161 128.591 411.251 1.00 0.00 H new ATOM 0 HB2 LYS A 29 283.722 128.673 411.194 1.00 0.00 H new ATOM 0 HB3 LYS A 29 284.255 130.289 410.778 1.00 0.00 H new ATOM 0 HG2 LYS A 29 284.007 129.156 408.283 1.00 0.00 H new ATOM 0 HG3 LYS A 29 282.761 128.297 409.166 1.00 0.00 H new ATOM 0 HD2 LYS A 29 282.900 131.189 408.396 1.00 0.00 H new ATOM 0 HD3 LYS A 29 281.602 130.034 408.169 1.00 0.00 H new ATOM 0 HE2 LYS A 29 281.078 130.146 410.606 1.00 0.00 H new ATOM 0 HE3 LYS A 29 282.373 131.306 410.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 280.245 132.406 410.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 281.264 132.801 409.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 280.010 131.676 409.058 1.00 0.00 H new ATOM 469 N TYR A 30 286.081 127.269 408.328 1.00 0.00 N ATOM 470 CA TYR A 30 286.100 126.115 407.443 1.00 0.00 C ATOM 471 C TYR A 30 287.514 125.683 407.028 1.00 0.00 C ATOM 472 O TYR A 30 288.114 124.746 407.551 1.00 0.00 O ATOM 473 CB TYR A 30 285.360 126.585 406.164 1.00 0.00 C ATOM 474 CG TYR A 30 283.870 126.584 406.227 1.00 0.00 C ATOM 475 CD1 TYR A 30 283.038 126.529 407.329 1.00 0.00 C ATOM 476 CD2 TYR A 30 283.305 126.756 405.004 1.00 0.00 C ATOM 477 CE1 TYR A 30 281.693 126.833 407.188 1.00 0.00 C ATOM 478 CE2 TYR A 30 281.978 126.963 404.834 1.00 0.00 C ATOM 479 CZ TYR A 30 281.167 127.076 405.938 1.00 0.00 C ATOM 480 OH TYR A 30 279.820 127.442 405.774 1.00 0.00 O ATOM 0 H TYR A 30 286.400 128.107 407.842 1.00 0.00 H new ATOM 0 HA TYR A 30 285.650 125.263 407.952 1.00 0.00 H new ATOM 0 HB2 TYR A 30 285.692 127.596 405.928 1.00 0.00 H new ATOM 0 HB3 TYR A 30 285.668 125.947 405.336 1.00 0.00 H new ATOM 0 HD1 TYR A 30 283.434 126.251 408.295 1.00 0.00 H new ATOM 0 HD2 TYR A 30 283.940 126.726 404.131 1.00 0.00 H new ATOM 0 HE1 TYR A 30 281.056 126.879 408.059 1.00 0.00 H new ATOM 0 HE2 TYR A 30 281.561 127.039 403.841 1.00 0.00 H new ATOM 0 HH TYR A 30 279.768 128.380 405.495 1.00 0.00 H new ATOM 490 N VAL A 31 288.051 126.379 405.998 1.00 0.00 N ATOM 491 CA VAL A 31 289.357 126.221 405.378 1.00 0.00 C ATOM 492 C VAL A 31 289.846 127.617 405.317 1.00 0.00 C ATOM 493 O VAL A 31 289.065 128.448 404.861 1.00 0.00 O ATOM 494 CB VAL A 31 289.312 125.799 403.897 1.00 0.00 C ATOM 495 CG1 VAL A 31 290.594 126.112 403.066 1.00 0.00 C ATOM 496 CG2 VAL A 31 288.878 124.339 403.859 1.00 0.00 C ATOM 0 H VAL A 31 287.522 127.128 405.552 1.00 0.00 H new ATOM 0 HA VAL A 31 289.929 125.476 405.930 1.00 0.00 H new ATOM 0 HB VAL A 31 288.583 126.421 403.378 1.00 0.00 H new ATOM 0 HG11 VAL A 31 290.454 125.774 402.039 1.00 0.00 H new ATOM 0 HG12 VAL A 31 290.778 127.186 403.072 1.00 0.00 H new ATOM 0 HG13 VAL A 31 291.447 125.595 403.505 1.00 0.00 H new ATOM 0 HG21 VAL A 31 288.833 124.000 402.824 1.00 0.00 H new ATOM 0 HG22 VAL A 31 289.596 123.731 404.409 1.00 0.00 H new ATOM 0 HG23 VAL A 31 287.893 124.240 404.316 1.00 0.00 H new ATOM 506 N PRO A 32 291.069 127.987 405.654 1.00 0.00 N ATOM 507 CA PRO A 32 291.473 129.364 405.510 1.00 0.00 C ATOM 508 C PRO A 32 291.813 129.844 404.108 1.00 0.00 C ATOM 509 O PRO A 32 291.487 130.985 403.876 1.00 0.00 O ATOM 510 CB PRO A 32 292.726 129.400 406.406 1.00 0.00 C ATOM 511 CG PRO A 32 293.328 127.986 406.365 1.00 0.00 C ATOM 512 CD PRO A 32 292.078 127.121 406.268 1.00 0.00 C ATOM 0 HA PRO A 32 290.652 130.032 405.771 1.00 0.00 H new ATOM 0 HB2 PRO A 32 293.442 130.138 406.044 1.00 0.00 H new ATOM 0 HB3 PRO A 32 292.466 129.682 407.426 1.00 0.00 H new ATOM 0 HG2 PRO A 32 293.989 127.847 405.510 1.00 0.00 H new ATOM 0 HG3 PRO A 32 293.912 127.763 407.258 1.00 0.00 H new ATOM 0 HD2 PRO A 32 292.258 126.233 405.662 1.00 0.00 H new ATOM 0 HD3 PRO A 32 291.758 126.777 407.252 1.00 0.00 H new ATOM 520 N SER A 33 292.452 129.091 403.183 1.00 0.00 N ATOM 521 CA SER A 33 292.835 129.614 401.858 1.00 0.00 C ATOM 522 C SER A 33 293.533 128.595 400.965 1.00 0.00 C ATOM 523 O SER A 33 293.635 127.406 401.301 1.00 0.00 O ATOM 524 CB SER A 33 293.145 131.142 401.580 1.00 0.00 C ATOM 525 OG SER A 33 292.116 131.778 400.836 1.00 0.00 O ATOM 0 H SER A 33 292.712 128.116 403.334 1.00 0.00 H new ATOM 0 HA SER A 33 291.815 129.765 401.504 1.00 0.00 H new ATOM 0 HB2 SER A 33 293.277 131.661 402.529 1.00 0.00 H new ATOM 0 HB3 SER A 33 294.087 131.226 401.037 1.00 0.00 H new ATOM 0 HG SER A 33 291.316 131.868 401.395 1.00 0.00 H new ATOM 531 N TYR A 34 293.992 129.048 399.750 1.00 0.00 N ATOM 532 CA TYR A 34 294.664 128.385 398.596 1.00 0.00 C ATOM 533 C TYR A 34 295.800 127.388 398.906 1.00 0.00 C ATOM 534 O TYR A 34 296.083 126.456 398.153 1.00 0.00 O ATOM 535 CB TYR A 34 295.232 129.483 397.631 1.00 0.00 C ATOM 536 CG TYR A 34 294.237 130.585 397.309 1.00 0.00 C ATOM 537 CD1 TYR A 34 294.177 131.714 398.107 1.00 0.00 C ATOM 538 CD2 TYR A 34 293.416 130.541 396.191 1.00 0.00 C ATOM 539 CE1 TYR A 34 293.289 132.731 397.834 1.00 0.00 C ATOM 540 CE2 TYR A 34 292.572 131.598 395.872 1.00 0.00 C ATOM 541 CZ TYR A 34 292.507 132.693 396.710 1.00 0.00 C ATOM 542 OH TYR A 34 291.668 133.795 396.442 1.00 0.00 O ATOM 0 H TYR A 34 293.876 130.039 399.537 1.00 0.00 H new ATOM 0 HA TYR A 34 293.873 127.776 398.157 1.00 0.00 H new ATOM 0 HB2 TYR A 34 296.119 129.927 398.082 1.00 0.00 H new ATOM 0 HB3 TYR A 34 295.550 129.009 396.702 1.00 0.00 H new ATOM 0 HD1 TYR A 34 294.837 131.799 398.958 1.00 0.00 H new ATOM 0 HD2 TYR A 34 293.433 129.668 395.556 1.00 0.00 H new ATOM 0 HE1 TYR A 34 293.208 133.567 398.513 1.00 0.00 H new ATOM 0 HE2 TYR A 34 291.971 131.563 394.975 1.00 0.00 H new ATOM 0 HH TYR A 34 290.783 133.474 396.171 1.00 0.00 H new ATOM 552 N ALA A 35 296.386 127.533 400.115 1.00 0.00 N ATOM 553 CA ALA A 35 297.385 126.720 400.777 1.00 0.00 C ATOM 554 C ALA A 35 296.878 125.387 401.256 1.00 0.00 C ATOM 555 O ALA A 35 297.448 124.345 400.954 1.00 0.00 O ATOM 556 CB ALA A 35 297.859 127.507 402.034 1.00 0.00 C ATOM 0 H ALA A 35 296.126 128.323 400.706 1.00 0.00 H new ATOM 0 HA ALA A 35 298.172 126.523 400.049 1.00 0.00 H new ATOM 0 HB1 ALA A 35 298.615 126.927 402.563 1.00 0.00 H new ATOM 0 HB2 ALA A 35 298.284 128.462 401.726 1.00 0.00 H new ATOM 0 HB3 ALA A 35 297.010 127.684 402.694 1.00 0.00 H new ATOM 562 N PHE A 36 295.710 125.421 401.956 1.00 0.00 N ATOM 563 CA PHE A 36 294.925 124.290 402.404 1.00 0.00 C ATOM 564 C PHE A 36 294.216 123.723 401.171 1.00 0.00 C ATOM 565 O PHE A 36 294.263 122.522 400.915 1.00 0.00 O ATOM 566 CB PHE A 36 293.944 124.725 403.549 1.00 0.00 C ATOM 567 CG PHE A 36 292.995 123.584 403.977 1.00 0.00 C ATOM 568 CD1 PHE A 36 293.250 122.804 405.089 1.00 0.00 C ATOM 569 CD2 PHE A 36 291.911 123.207 403.188 1.00 0.00 C ATOM 570 CE1 PHE A 36 292.452 121.712 405.392 1.00 0.00 C ATOM 571 CE2 PHE A 36 291.135 122.103 403.452 1.00 0.00 C ATOM 572 CZ PHE A 36 291.388 121.362 404.580 1.00 0.00 C ATOM 0 H PHE A 36 295.285 126.307 402.228 1.00 0.00 H new ATOM 0 HA PHE A 36 295.546 123.508 402.842 1.00 0.00 H new ATOM 0 HB2 PHE A 36 294.522 125.056 404.412 1.00 0.00 H new ATOM 0 HB3 PHE A 36 293.354 125.578 403.214 1.00 0.00 H new ATOM 0 HD1 PHE A 36 294.083 123.049 405.731 1.00 0.00 H new ATOM 0 HD2 PHE A 36 291.668 123.811 402.327 1.00 0.00 H new ATOM 0 HE1 PHE A 36 292.664 121.126 406.274 1.00 0.00 H new ATOM 0 HE2 PHE A 36 290.337 121.822 402.781 1.00 0.00 H new ATOM 0 HZ PHE A 36 290.764 120.517 404.830 1.00 0.00 H new ATOM 582 N LEU A 37 293.550 124.594 400.345 1.00 0.00 N ATOM 583 CA LEU A 37 292.880 124.102 399.117 1.00 0.00 C ATOM 584 C LEU A 37 293.770 123.446 398.034 1.00 0.00 C ATOM 585 O LEU A 37 293.308 122.522 397.363 1.00 0.00 O ATOM 586 CB LEU A 37 291.726 124.971 398.526 1.00 0.00 C ATOM 587 CG LEU A 37 291.923 126.481 398.524 1.00 0.00 C ATOM 588 CD1 LEU A 37 291.970 127.003 397.081 1.00 0.00 C ATOM 589 CD2 LEU A 37 290.932 127.326 399.332 1.00 0.00 C ATOM 0 H LEU A 37 293.470 125.598 400.507 1.00 0.00 H new ATOM 0 HA LEU A 37 292.359 123.259 399.571 1.00 0.00 H new ATOM 0 HB2 LEU A 37 291.555 124.651 397.498 1.00 0.00 H new ATOM 0 HB3 LEU A 37 290.816 124.750 399.084 1.00 0.00 H new ATOM 0 HG LEU A 37 292.871 126.608 399.047 1.00 0.00 H new ATOM 0 HD11 LEU A 37 292.111 128.084 397.089 1.00 0.00 H new ATOM 0 HD12 LEU A 37 292.798 126.533 396.551 1.00 0.00 H new ATOM 0 HD13 LEU A 37 291.034 126.763 396.577 1.00 0.00 H new ATOM 0 HD21 LEU A 37 291.193 128.380 399.240 1.00 0.00 H new ATOM 0 HD22 LEU A 37 289.923 127.167 398.951 1.00 0.00 H new ATOM 0 HD23 LEU A 37 290.974 127.032 400.381 1.00 0.00 H new ATOM 601 N ARG A 38 295.086 123.818 397.856 1.00 0.00 N ATOM 602 CA ARG A 38 295.945 123.103 396.896 1.00 0.00 C ATOM 603 C ARG A 38 296.329 121.686 397.310 1.00 0.00 C ATOM 604 O ARG A 38 296.209 120.762 396.511 1.00 0.00 O ATOM 605 CB ARG A 38 297.224 123.925 396.596 1.00 0.00 C ATOM 606 CG ARG A 38 298.055 123.428 395.401 1.00 0.00 C ATOM 607 CD ARG A 38 299.233 124.350 395.065 1.00 0.00 C ATOM 608 NE ARG A 38 299.791 123.894 393.740 1.00 0.00 N ATOM 609 CZ ARG A 38 300.392 124.722 392.828 1.00 0.00 C ATOM 610 NH1 ARG A 38 300.615 126.039 393.106 1.00 0.00 N1+ ATOM 611 NH2 ARG A 38 300.762 124.216 391.615 1.00 0.00 N ATOM 0 H ARG A 38 295.542 124.582 398.354 1.00 0.00 H new ATOM 0 HA ARG A 38 295.337 122.996 395.998 1.00 0.00 H new ATOM 0 HB2 ARG A 38 296.937 124.960 396.413 1.00 0.00 H new ATOM 0 HB3 ARG A 38 297.856 123.922 397.484 1.00 0.00 H new ATOM 0 HG2 ARG A 38 298.433 122.429 395.619 1.00 0.00 H new ATOM 0 HG3 ARG A 38 297.409 123.340 394.528 1.00 0.00 H new ATOM 0 HD2 ARG A 38 298.905 125.388 395.008 1.00 0.00 H new ATOM 0 HD3 ARG A 38 299.996 124.299 395.842 1.00 0.00 H new ATOM 0 HE ARG A 38 299.716 122.904 393.507 1.00 0.00 H new ATOM 0 HH11 ARG A 38 300.333 126.425 394.007 1.00 0.00 H new ATOM 0 HH12 ARG A 38 301.064 126.638 392.413 1.00 0.00 H new ATOM 0 HH21 ARG A 38 300.590 123.234 391.398 1.00 0.00 H new ATOM 0 HH22 ARG A 38 301.210 124.820 390.926 1.00 0.00 H new ATOM 625 N ARG A 39 296.725 121.494 398.601 1.00 0.00 N ATOM 626 CA ARG A 39 296.987 120.201 399.240 1.00 0.00 C ATOM 627 C ARG A 39 295.736 119.344 399.460 1.00 0.00 C ATOM 628 O ARG A 39 295.786 118.120 399.337 1.00 0.00 O ATOM 629 CB ARG A 39 297.876 120.328 400.499 1.00 0.00 C ATOM 630 CG ARG A 39 297.264 121.103 401.676 1.00 0.00 C ATOM 631 CD ARG A 39 298.332 121.738 402.577 1.00 0.00 C ATOM 632 NE ARG A 39 299.161 120.642 403.194 1.00 0.00 N ATOM 633 CZ ARG A 39 300.476 120.792 403.550 1.00 0.00 C ATOM 634 NH1 ARG A 39 301.126 121.977 403.363 1.00 0.00 N1+ ATOM 635 NH2 ARG A 39 301.147 119.733 404.092 1.00 0.00 N ATOM 0 H ARG A 39 296.872 122.277 399.238 1.00 0.00 H new ATOM 0 HA ARG A 39 297.572 119.637 398.513 1.00 0.00 H new ATOM 0 HB2 ARG A 39 298.131 119.326 400.843 1.00 0.00 H new ATOM 0 HB3 ARG A 39 298.809 120.815 400.214 1.00 0.00 H new ATOM 0 HG2 ARG A 39 296.607 121.883 401.291 1.00 0.00 H new ATOM 0 HG3 ARG A 39 296.646 120.429 402.269 1.00 0.00 H new ATOM 0 HD2 ARG A 39 298.965 122.409 401.996 1.00 0.00 H new ATOM 0 HD3 ARG A 39 297.861 122.338 403.355 1.00 0.00 H new ATOM 0 HE ARG A 39 298.719 119.737 403.356 1.00 0.00 H new ATOM 0 HH11 ARG A 39 300.633 122.770 402.952 1.00 0.00 H new ATOM 0 HH12 ARG A 39 302.105 122.070 403.634 1.00 0.00 H new ATOM 0 HH21 ARG A 39 300.669 118.842 404.228 1.00 0.00 H new ATOM 0 HH22 ARG A 39 302.126 119.833 404.361 1.00 0.00 H new ATOM 649 N GLU A 40 294.559 119.981 399.754 1.00 0.00 N ATOM 650 CA GLU A 40 293.254 119.332 399.885 1.00 0.00 C ATOM 651 C GLU A 40 292.635 118.890 398.557 1.00 0.00 C ATOM 652 O GLU A 40 292.063 117.802 398.506 1.00 0.00 O ATOM 653 CB GLU A 40 292.233 120.195 400.681 1.00 0.00 C ATOM 654 CG GLU A 40 290.881 119.510 401.008 1.00 0.00 C ATOM 655 CD GLU A 40 291.093 118.267 401.875 1.00 0.00 C ATOM 656 OE1 GLU A 40 291.640 118.414 403.000 1.00 0.00 O ATOM 657 OE2 GLU A 40 290.706 117.156 401.423 1.00 0.00 O1- ATOM 0 H GLU A 40 294.513 120.988 399.907 1.00 0.00 H new ATOM 0 HA GLU A 40 293.469 118.427 400.453 1.00 0.00 H new ATOM 0 HB2 GLU A 40 292.698 120.503 401.617 1.00 0.00 H new ATOM 0 HB3 GLU A 40 292.031 121.102 400.112 1.00 0.00 H new ATOM 0 HG2 GLU A 40 290.229 120.213 401.527 1.00 0.00 H new ATOM 0 HG3 GLU A 40 290.377 119.231 400.083 1.00 0.00 H new ATOM 664 N LEU A 41 292.721 119.679 397.431 1.00 0.00 N ATOM 665 CA LEU A 41 292.128 119.144 396.192 1.00 0.00 C ATOM 666 C LEU A 41 293.099 118.319 395.350 1.00 0.00 C ATOM 667 O LEU A 41 292.667 117.671 394.401 1.00 0.00 O ATOM 668 CB LEU A 41 291.691 120.295 395.230 1.00 0.00 C ATOM 669 CG LEU A 41 290.396 121.051 395.573 1.00 0.00 C ATOM 670 CD1 LEU A 41 290.279 122.216 394.578 1.00 0.00 C ATOM 671 CD2 LEU A 41 289.140 120.168 395.459 1.00 0.00 C ATOM 0 H LEU A 41 293.156 120.600 397.369 1.00 0.00 H new ATOM 0 HA LEU A 41 291.299 118.533 396.549 1.00 0.00 H new ATOM 0 HB2 LEU A 41 292.503 121.021 395.183 1.00 0.00 H new ATOM 0 HB3 LEU A 41 291.581 119.875 394.230 1.00 0.00 H new ATOM 0 HG LEU A 41 290.451 121.387 396.608 1.00 0.00 H new ATOM 0 HD11 LEU A 41 289.371 122.782 394.785 1.00 0.00 H new ATOM 0 HD12 LEU A 41 291.145 122.870 394.680 1.00 0.00 H new ATOM 0 HD13 LEU A 41 290.238 121.824 393.562 1.00 0.00 H new ATOM 0 HD21 LEU A 41 288.258 120.756 395.713 1.00 0.00 H new ATOM 0 HD22 LEU A 41 289.048 119.797 394.438 1.00 0.00 H new ATOM 0 HD23 LEU A 41 289.224 119.325 396.145 1.00 0.00 H new ATOM 683 N GLY A 42 294.435 118.312 395.657 1.00 0.00 N ATOM 684 CA GLY A 42 295.473 117.576 394.900 1.00 0.00 C ATOM 685 C GLY A 42 295.750 118.200 393.542 1.00 0.00 C ATOM 686 O GLY A 42 296.097 117.538 392.568 1.00 0.00 O ATOM 0 H GLY A 42 294.814 118.828 396.451 1.00 0.00 H new ATOM 0 HA2 GLY A 42 296.395 117.553 395.481 1.00 0.00 H new ATOM 0 HA3 GLY A 42 295.156 116.542 394.764 1.00 0.00 H new ATOM 690 N LEU A 43 295.459 119.519 393.466 1.00 0.00 N ATOM 691 CA LEU A 43 295.327 120.291 392.240 1.00 0.00 C ATOM 692 C LEU A 43 296.523 121.165 391.894 1.00 0.00 C ATOM 693 O LEU A 43 297.236 121.675 392.752 1.00 0.00 O ATOM 694 CB LEU A 43 294.020 121.131 392.382 1.00 0.00 C ATOM 695 CG LEU A 43 293.355 121.645 391.084 1.00 0.00 C ATOM 696 CD1 LEU A 43 292.829 120.520 390.178 1.00 0.00 C ATOM 697 CD2 LEU A 43 292.187 122.590 391.411 1.00 0.00 C ATOM 0 H LEU A 43 295.306 120.085 394.301 1.00 0.00 H new ATOM 0 HA LEU A 43 295.280 119.598 391.400 1.00 0.00 H new ATOM 0 HB2 LEU A 43 293.288 120.526 392.918 1.00 0.00 H new ATOM 0 HB3 LEU A 43 294.242 121.994 393.010 1.00 0.00 H new ATOM 0 HG LEU A 43 294.141 122.171 390.543 1.00 0.00 H new ATOM 0 HD11 LEU A 43 292.375 120.953 389.286 1.00 0.00 H new ATOM 0 HD12 LEU A 43 293.655 119.871 389.887 1.00 0.00 H new ATOM 0 HD13 LEU A 43 292.083 119.937 390.718 1.00 0.00 H new ATOM 0 HD21 LEU A 43 291.732 122.941 390.484 1.00 0.00 H new ATOM 0 HD22 LEU A 43 291.442 122.057 392.002 1.00 0.00 H new ATOM 0 HD23 LEU A 43 292.557 123.443 391.979 1.00 0.00 H new ATOM 709 N SER A 44 296.755 121.371 390.571 1.00 0.00 N ATOM 710 CA SER A 44 297.857 122.139 389.978 1.00 0.00 C ATOM 711 C SER A 44 297.436 123.527 389.515 1.00 0.00 C ATOM 712 O SER A 44 298.238 124.291 388.982 1.00 0.00 O ATOM 713 CB SER A 44 298.459 121.422 388.728 1.00 0.00 C ATOM 714 OG SER A 44 298.668 120.037 388.997 1.00 0.00 O ATOM 0 H SER A 44 296.138 120.980 389.859 1.00 0.00 H new ATOM 0 HA SER A 44 298.591 122.220 390.780 1.00 0.00 H new ATOM 0 HB2 SER A 44 297.787 121.536 387.878 1.00 0.00 H new ATOM 0 HB3 SER A 44 299.403 121.891 388.452 1.00 0.00 H new ATOM 0 HG SER A 44 299.044 119.603 388.203 1.00 0.00 H new ATOM 720 N SER A 45 296.128 123.870 389.681 1.00 0.00 N ATOM 721 CA SER A 45 295.467 125.105 389.228 1.00 0.00 C ATOM 722 C SER A 45 295.806 126.365 390.003 1.00 0.00 C ATOM 723 O SER A 45 295.569 127.478 389.546 1.00 0.00 O ATOM 724 CB SER A 45 293.919 124.908 389.152 1.00 0.00 C ATOM 725 OG SER A 45 293.659 123.798 388.290 1.00 0.00 O ATOM 0 H SER A 45 295.478 123.249 390.164 1.00 0.00 H new ATOM 0 HA SER A 45 295.878 125.279 388.234 1.00 0.00 H new ATOM 0 HB2 SER A 45 293.509 124.724 390.145 1.00 0.00 H new ATOM 0 HB3 SER A 45 293.438 125.809 388.770 1.00 0.00 H new ATOM 0 HG SER A 45 293.253 124.118 387.458 1.00 0.00 H new ATOM 731 N ALA A 46 296.378 126.225 391.217 1.00 0.00 N ATOM 732 CA ALA A 46 296.676 127.244 392.216 1.00 0.00 C ATOM 733 C ALA A 46 297.779 128.274 391.962 1.00 0.00 C ATOM 734 O ALA A 46 298.035 129.105 392.824 1.00 0.00 O ATOM 735 CB ALA A 46 296.824 126.521 393.559 1.00 0.00 C ATOM 0 H ALA A 46 296.666 125.302 391.543 1.00 0.00 H new ATOM 0 HA ALA A 46 295.830 127.931 392.181 1.00 0.00 H new ATOM 0 HB1 ALA A 46 297.049 127.247 394.340 1.00 0.00 H new ATOM 0 HB2 ALA A 46 295.894 126.005 393.799 1.00 0.00 H new ATOM 0 HB3 ALA A 46 297.635 125.795 393.494 1.00 0.00 H new ATOM 741 N HIS A 47 298.409 128.273 390.758 1.00 0.00 N ATOM 742 CA HIS A 47 299.435 129.201 390.291 1.00 0.00 C ATOM 743 C HIS A 47 298.873 130.536 389.799 1.00 0.00 C ATOM 744 O HIS A 47 299.577 131.542 389.758 1.00 0.00 O ATOM 745 CB HIS A 47 300.247 128.548 389.135 1.00 0.00 C ATOM 746 CG HIS A 47 301.330 127.617 389.606 1.00 0.00 C ATOM 747 ND1 HIS A 47 302.322 128.016 390.475 1.00 0.00 N ATOM 748 CD2 HIS A 47 301.674 126.363 389.202 1.00 0.00 C ATOM 749 CE1 HIS A 47 303.213 126.999 390.554 1.00 0.00 C ATOM 750 NE2 HIS A 47 302.868 125.981 389.794 1.00 0.00 N ATOM 0 H HIS A 47 298.188 127.571 390.052 1.00 0.00 H new ATOM 0 HA HIS A 47 300.069 129.412 391.152 1.00 0.00 H new ATOM 0 HB2 HIS A 47 299.563 127.998 388.489 1.00 0.00 H new ATOM 0 HB3 HIS A 47 300.695 129.335 388.528 1.00 0.00 H new ATOM 0 HD2 HIS A 47 301.100 125.754 388.519 1.00 0.00 H new ATOM 0 HE1 HIS A 47 304.101 127.021 391.168 1.00 0.00 H new ATOM 0 HE2 HIS A 47 303.370 125.102 389.668 1.00 0.00 H new ATOM 758 N THR A 48 297.585 130.553 389.389 1.00 0.00 N ATOM 759 CA THR A 48 296.902 131.733 388.886 1.00 0.00 C ATOM 760 C THR A 48 295.576 131.759 389.601 1.00 0.00 C ATOM 761 O THR A 48 294.807 130.788 389.555 1.00 0.00 O ATOM 762 CB THR A 48 296.702 131.704 387.367 1.00 0.00 C ATOM 763 OG1 THR A 48 297.944 131.570 386.688 1.00 0.00 O ATOM 764 CG2 THR A 48 296.050 133.001 386.858 1.00 0.00 C ATOM 0 H THR A 48 296.993 129.723 389.405 1.00 0.00 H new ATOM 0 HA THR A 48 297.496 132.627 389.074 1.00 0.00 H new ATOM 0 HB THR A 48 296.056 130.850 387.164 1.00 0.00 H new ATOM 0 HG1 THR A 48 297.788 131.552 385.721 1.00 0.00 H new ATOM 0 HG21 THR A 48 295.924 132.945 385.777 1.00 0.00 H new ATOM 0 HG22 THR A 48 295.076 133.129 387.331 1.00 0.00 H new ATOM 0 HG23 THR A 48 296.687 133.850 387.105 1.00 0.00 H new ATOM 772 N ASN A 49 295.223 132.906 390.280 1.00 0.00 N ATOM 773 CA ASN A 49 293.997 133.066 391.076 1.00 0.00 C ATOM 774 C ASN A 49 292.711 132.826 390.308 1.00 0.00 C ATOM 775 O ASN A 49 291.794 132.197 390.809 1.00 0.00 O ATOM 776 CB ASN A 49 293.919 134.407 391.872 1.00 0.00 C ATOM 777 CG ASN A 49 293.319 134.118 393.252 1.00 0.00 C ATOM 778 OD1 ASN A 49 292.166 134.722 393.640 1.00 0.00 O flip ATOM 779 ND2 ASN A 49 293.931 133.311 393.950 1.00 0.00 N flip ATOM 0 H ASN A 49 295.805 133.743 390.275 1.00 0.00 H new ATOM 0 HA ASN A 49 294.084 132.262 391.807 1.00 0.00 H new ATOM 0 HB2 ASN A 49 294.912 134.845 391.975 1.00 0.00 H new ATOM 0 HB3 ASN A 49 293.305 135.131 391.336 1.00 0.00 H new ATOM 0 HD21 ASN A 49 294.793 132.889 393.605 1.00 0.00 H new ATOM 0 HD22 ASN A 49 293.576 133.064 394.874 1.00 0.00 H new ATOM 786 N ARG A 50 292.697 133.243 389.019 1.00 0.00 N ATOM 787 CA ARG A 50 291.624 133.075 388.053 1.00 0.00 C ATOM 788 C ARG A 50 291.460 131.628 387.575 1.00 0.00 C ATOM 789 O ARG A 50 290.338 131.203 387.342 1.00 0.00 O ATOM 790 CB ARG A 50 291.764 134.083 386.879 1.00 0.00 C ATOM 791 CG ARG A 50 291.495 135.562 387.270 1.00 0.00 C ATOM 792 CD ARG A 50 292.454 136.222 388.283 1.00 0.00 C ATOM 793 NE ARG A 50 293.856 136.174 387.736 1.00 0.00 N ATOM 794 CZ ARG A 50 294.945 136.626 388.434 1.00 0.00 C ATOM 795 NH1 ARG A 50 294.809 137.141 389.690 1.00 0.00 N1+ ATOM 796 NH2 ARG A 50 296.183 136.562 387.862 1.00 0.00 N ATOM 0 H ARG A 50 293.494 133.736 388.616 1.00 0.00 H new ATOM 0 HA ARG A 50 290.694 133.307 388.572 1.00 0.00 H new ATOM 0 HB2 ARG A 50 292.770 134.006 386.467 1.00 0.00 H new ATOM 0 HB3 ARG A 50 291.073 133.798 386.086 1.00 0.00 H new ATOM 0 HG2 ARG A 50 291.509 136.158 386.357 1.00 0.00 H new ATOM 0 HG3 ARG A 50 290.485 135.623 387.675 1.00 0.00 H new ATOM 0 HD2 ARG A 50 292.156 137.255 388.465 1.00 0.00 H new ATOM 0 HD3 ARG A 50 292.406 135.703 389.240 1.00 0.00 H new ATOM 0 HE ARG A 50 294.002 135.787 386.803 1.00 0.00 H new ATOM 0 HH11 ARG A 50 293.887 137.194 390.122 1.00 0.00 H new ATOM 0 HH12 ARG A 50 295.630 137.473 390.197 1.00 0.00 H new ATOM 0 HH21 ARG A 50 296.292 136.180 386.922 1.00 0.00 H new ATOM 0 HH22 ARG A 50 296.999 136.896 388.374 1.00 0.00 H new ATOM 810 N LYS A 51 292.565 130.826 387.450 1.00 0.00 N ATOM 811 CA LYS A 51 292.588 129.386 387.122 1.00 0.00 C ATOM 812 C LYS A 51 292.117 128.489 388.265 1.00 0.00 C ATOM 813 O LYS A 51 291.244 127.606 388.129 1.00 0.00 O ATOM 814 CB LYS A 51 294.003 128.942 386.670 1.00 0.00 C ATOM 815 CG LYS A 51 294.107 127.529 386.068 1.00 0.00 C ATOM 816 CD LYS A 51 295.552 127.171 385.686 1.00 0.00 C ATOM 817 CE LYS A 51 295.718 125.723 385.200 1.00 0.00 C ATOM 818 NZ LYS A 51 294.903 125.463 383.989 1.00 0.00 N1+ ATOM 0 H LYS A 51 293.505 131.199 387.585 1.00 0.00 H new ATOM 0 HA LYS A 51 291.878 129.264 386.304 1.00 0.00 H new ATOM 0 HB2 LYS A 51 294.368 129.657 385.933 1.00 0.00 H new ATOM 0 HB3 LYS A 51 294.672 129.000 387.529 1.00 0.00 H new ATOM 0 HG2 LYS A 51 293.731 126.800 386.786 1.00 0.00 H new ATOM 0 HG3 LYS A 51 293.472 127.464 385.185 1.00 0.00 H new ATOM 0 HD2 LYS A 51 295.891 127.849 384.903 1.00 0.00 H new ATOM 0 HD3 LYS A 51 296.198 127.332 386.549 1.00 0.00 H new ATOM 0 HE2 LYS A 51 296.768 125.529 384.982 1.00 0.00 H new ATOM 0 HE3 LYS A 51 295.424 125.035 385.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 295.076 124.493 383.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 293.895 125.576 384.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 295.166 126.137 383.242 1.00 0.00 H new ATOM 832 N VAL A 52 292.651 128.763 389.512 1.00 0.00 N ATOM 833 CA VAL A 52 292.220 128.054 390.737 1.00 0.00 C ATOM 834 C VAL A 52 290.821 128.396 391.083 1.00 0.00 C ATOM 835 O VAL A 52 290.037 127.480 391.296 1.00 0.00 O ATOM 836 CB VAL A 52 293.099 128.164 391.999 1.00 0.00 C ATOM 837 CG1 VAL A 52 293.203 129.582 392.622 1.00 0.00 C ATOM 838 CG2 VAL A 52 292.733 127.101 393.082 1.00 0.00 C ATOM 0 H VAL A 52 293.372 129.466 389.673 1.00 0.00 H new ATOM 0 HA VAL A 52 292.331 127.012 390.438 1.00 0.00 H new ATOM 0 HB VAL A 52 294.099 127.946 391.624 1.00 0.00 H new ATOM 0 HG11 VAL A 52 293.844 129.546 393.503 1.00 0.00 H new ATOM 0 HG12 VAL A 52 293.628 130.270 391.891 1.00 0.00 H new ATOM 0 HG13 VAL A 52 292.210 129.927 392.910 1.00 0.00 H new ATOM 0 HG21 VAL A 52 293.383 127.225 393.948 1.00 0.00 H new ATOM 0 HG22 VAL A 52 291.695 127.234 393.386 1.00 0.00 H new ATOM 0 HG23 VAL A 52 292.865 126.101 392.669 1.00 0.00 H new ATOM 848 N TRP A 53 290.455 129.722 391.019 1.00 0.00 N ATOM 849 CA TRP A 53 289.094 130.210 391.202 1.00 0.00 C ATOM 850 C TRP A 53 288.149 129.700 390.156 1.00 0.00 C ATOM 851 O TRP A 53 287.066 129.318 390.515 1.00 0.00 O ATOM 852 CB TRP A 53 288.935 131.707 391.524 1.00 0.00 C ATOM 853 CG TRP A 53 289.177 132.145 392.959 1.00 0.00 C ATOM 854 CD1 TRP A 53 288.829 133.379 393.424 1.00 0.00 C ATOM 855 CD2 TRP A 53 289.458 131.342 394.134 1.00 0.00 C ATOM 856 NE1 TRP A 53 288.816 133.386 394.790 1.00 0.00 N ATOM 857 CE2 TRP A 53 289.221 132.150 395.239 1.00 0.00 C ATOM 858 CE3 TRP A 53 289.841 130.037 394.313 1.00 0.00 C ATOM 859 CZ2 TRP A 53 289.360 131.667 396.505 1.00 0.00 C ATOM 860 CZ3 TRP A 53 289.999 129.563 395.589 1.00 0.00 C ATOM 861 CH2 TRP A 53 289.762 130.360 396.679 1.00 0.00 C ATOM 0 H TRP A 53 291.126 130.468 390.835 1.00 0.00 H new ATOM 0 HA TRP A 53 288.787 129.754 392.143 1.00 0.00 H new ATOM 0 HB2 TRP A 53 289.618 132.264 390.883 1.00 0.00 H new ATOM 0 HB3 TRP A 53 287.924 132.005 391.247 1.00 0.00 H new ATOM 0 HD1 TRP A 53 288.597 134.230 392.801 1.00 0.00 H new ATOM 0 HE1 TRP A 53 288.550 134.176 395.379 1.00 0.00 H new ATOM 0 HE3 TRP A 53 290.015 129.394 393.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 289.159 132.298 397.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 290.316 128.542 395.739 1.00 0.00 H new ATOM 0 HH2 TRP A 53 289.890 129.963 397.675 1.00 0.00 H new ATOM 872 N LYS A 54 288.533 129.495 388.885 1.00 0.00 N ATOM 873 CA LYS A 54 287.723 128.746 387.909 1.00 0.00 C ATOM 874 C LYS A 54 287.499 127.274 388.265 1.00 0.00 C ATOM 875 O LYS A 54 286.357 126.836 388.218 1.00 0.00 O ATOM 876 CB LYS A 54 288.505 128.787 386.577 1.00 0.00 C ATOM 877 CG LYS A 54 288.422 127.610 385.584 1.00 0.00 C ATOM 878 CD LYS A 54 288.906 127.974 384.174 1.00 0.00 C ATOM 879 CE LYS A 54 290.389 128.351 384.085 1.00 0.00 C ATOM 880 NZ LYS A 54 290.783 128.630 382.685 1.00 0.00 N1+ ATOM 0 H LYS A 54 289.413 129.844 388.505 1.00 0.00 H new ATOM 0 HA LYS A 54 286.737 129.208 387.873 1.00 0.00 H new ATOM 0 HB2 LYS A 54 288.184 129.682 386.043 1.00 0.00 H new ATOM 0 HB3 LYS A 54 289.557 128.924 386.826 1.00 0.00 H new ATOM 0 HG2 LYS A 54 289.019 126.780 385.963 1.00 0.00 H new ATOM 0 HG3 LYS A 54 287.391 127.262 385.529 1.00 0.00 H new ATOM 0 HD2 LYS A 54 288.719 127.129 383.511 1.00 0.00 H new ATOM 0 HD3 LYS A 54 288.310 128.808 383.804 1.00 0.00 H new ATOM 0 HE2 LYS A 54 290.583 129.228 384.703 1.00 0.00 H new ATOM 0 HE3 LYS A 54 290.999 127.540 384.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 291.791 128.883 382.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 290.619 127.784 382.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 290.216 129.420 382.316 1.00 0.00 H new ATOM 894 N LYS A 55 288.533 126.473 388.698 1.00 0.00 N ATOM 895 CA LYS A 55 288.254 125.092 389.182 1.00 0.00 C ATOM 896 C LYS A 55 287.446 125.049 390.506 1.00 0.00 C ATOM 897 O LYS A 55 286.524 124.252 390.718 1.00 0.00 O ATOM 898 CB LYS A 55 289.535 124.243 389.328 1.00 0.00 C ATOM 899 CG LYS A 55 290.276 123.993 388.003 1.00 0.00 C ATOM 900 CD LYS A 55 289.477 123.124 387.022 1.00 0.00 C ATOM 901 CE LYS A 55 290.343 122.610 385.864 1.00 0.00 C ATOM 902 NZ LYS A 55 289.546 121.780 384.932 1.00 0.00 N1+ ATOM 0 H LYS A 55 289.514 126.750 388.719 1.00 0.00 H new ATOM 0 HA LYS A 55 287.632 124.654 388.401 1.00 0.00 H new ATOM 0 HB2 LYS A 55 290.212 124.742 390.022 1.00 0.00 H new ATOM 0 HB3 LYS A 55 289.273 123.283 389.773 1.00 0.00 H new ATOM 0 HG2 LYS A 55 290.500 124.950 387.532 1.00 0.00 H new ATOM 0 HG3 LYS A 55 291.230 123.510 388.213 1.00 0.00 H new ATOM 0 HD2 LYS A 55 289.048 122.276 387.557 1.00 0.00 H new ATOM 0 HD3 LYS A 55 288.645 123.703 386.622 1.00 0.00 H new ATOM 0 HE2 LYS A 55 290.775 123.454 385.326 1.00 0.00 H new ATOM 0 HE3 LYS A 55 291.173 122.024 386.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 290.155 121.445 384.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 289.154 120.963 385.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 288.768 122.348 384.539 1.00 0.00 H new ATOM 916 N PHE A 56 287.737 126.045 391.380 1.00 0.00 N ATOM 917 CA PHE A 56 287.019 126.309 392.649 1.00 0.00 C ATOM 918 C PHE A 56 285.551 126.752 392.462 1.00 0.00 C ATOM 919 O PHE A 56 284.608 126.178 393.008 1.00 0.00 O ATOM 920 CB PHE A 56 287.811 127.306 393.544 1.00 0.00 C ATOM 921 CG PHE A 56 288.067 126.769 394.912 1.00 0.00 C ATOM 922 CD1 PHE A 56 287.662 127.451 396.045 1.00 0.00 C ATOM 923 CD2 PHE A 56 288.749 125.573 395.045 1.00 0.00 C ATOM 924 CE1 PHE A 56 287.893 126.930 397.294 1.00 0.00 C ATOM 925 CE2 PHE A 56 288.978 125.045 396.294 1.00 0.00 C ATOM 926 CZ PHE A 56 288.546 125.727 397.405 1.00 0.00 C ATOM 0 H PHE A 56 288.498 126.704 391.216 1.00 0.00 H new ATOM 0 HA PHE A 56 286.964 125.350 393.164 1.00 0.00 H new ATOM 0 HB2 PHE A 56 288.762 127.541 393.066 1.00 0.00 H new ATOM 0 HB3 PHE A 56 287.254 128.240 393.622 1.00 0.00 H new ATOM 0 HD1 PHE A 56 287.160 128.402 395.946 1.00 0.00 H new ATOM 0 HD2 PHE A 56 289.102 125.053 394.167 1.00 0.00 H new ATOM 0 HE1 PHE A 56 287.566 127.459 398.177 1.00 0.00 H new ATOM 0 HE2 PHE A 56 289.493 124.102 396.400 1.00 0.00 H new ATOM 0 HZ PHE A 56 288.723 125.309 398.385 1.00 0.00 H new ATOM 936 N VAL A 57 285.312 127.749 391.573 1.00 0.00 N ATOM 937 CA VAL A 57 284.027 128.201 391.030 1.00 0.00 C ATOM 938 C VAL A 57 283.253 127.142 390.228 1.00 0.00 C ATOM 939 O VAL A 57 282.028 127.072 390.302 1.00 0.00 O ATOM 940 CB VAL A 57 283.659 129.704 391.021 1.00 0.00 C ATOM 941 CG1 VAL A 57 283.182 130.096 392.459 1.00 0.00 C ATOM 942 CG2 VAL A 57 284.710 130.735 390.589 1.00 0.00 C ATOM 0 H VAL A 57 286.084 128.296 391.192 1.00 0.00 H new ATOM 0 HA VAL A 57 283.322 128.335 391.850 1.00 0.00 H new ATOM 0 HB VAL A 57 282.905 129.764 390.236 1.00 0.00 H new ATOM 0 HG11 VAL A 57 282.916 131.153 392.479 1.00 0.00 H new ATOM 0 HG12 VAL A 57 282.312 129.498 392.729 1.00 0.00 H new ATOM 0 HG13 VAL A 57 283.985 129.910 393.172 1.00 0.00 H new ATOM 0 HG21 VAL A 57 284.282 131.736 390.643 1.00 0.00 H new ATOM 0 HG22 VAL A 57 285.573 130.674 391.251 1.00 0.00 H new ATOM 0 HG23 VAL A 57 285.023 130.529 389.565 1.00 0.00 H new ATOM 952 N GLU A 58 283.980 126.210 389.533 1.00 0.00 N ATOM 953 CA GLU A 58 283.457 124.933 389.005 1.00 0.00 C ATOM 954 C GLU A 58 282.973 123.963 390.136 1.00 0.00 C ATOM 955 O GLU A 58 281.903 123.375 390.008 1.00 0.00 O ATOM 956 CB GLU A 58 284.478 124.251 388.050 1.00 0.00 C ATOM 957 CG GLU A 58 283.922 123.094 387.199 1.00 0.00 C ATOM 958 CD GLU A 58 285.049 122.542 386.323 1.00 0.00 C ATOM 959 OE1 GLU A 58 285.569 123.310 385.470 1.00 0.00 O ATOM 960 OE2 GLU A 58 285.405 121.346 386.498 1.00 0.00 O1- ATOM 0 H GLU A 58 284.970 126.343 389.326 1.00 0.00 H new ATOM 0 HA GLU A 58 282.572 125.177 388.418 1.00 0.00 H new ATOM 0 HB2 GLU A 58 284.884 125.009 387.380 1.00 0.00 H new ATOM 0 HB3 GLU A 58 285.309 123.874 388.645 1.00 0.00 H new ATOM 0 HG2 GLU A 58 283.525 122.309 387.842 1.00 0.00 H new ATOM 0 HG3 GLU A 58 283.098 123.444 386.578 1.00 0.00 H new ATOM 967 N ALA A 59 283.704 123.848 391.310 1.00 0.00 N ATOM 968 CA ALA A 59 283.280 123.126 392.545 1.00 0.00 C ATOM 969 C ALA A 59 282.034 123.659 393.219 1.00 0.00 C ATOM 970 O ALA A 59 281.238 122.936 393.794 1.00 0.00 O ATOM 971 CB ALA A 59 284.222 123.291 393.774 1.00 0.00 C ATOM 0 H ALA A 59 284.626 124.272 391.409 1.00 0.00 H new ATOM 0 HA ALA A 59 283.210 122.127 392.114 1.00 0.00 H new ATOM 0 HB1 ALA A 59 283.823 122.727 394.617 1.00 0.00 H new ATOM 0 HB2 ALA A 59 285.215 122.916 393.524 1.00 0.00 H new ATOM 0 HB3 ALA A 59 284.289 124.345 394.042 1.00 0.00 H new ATOM 977 N TYR A 60 281.944 125.013 393.227 1.00 0.00 N ATOM 978 CA TYR A 60 281.049 125.924 393.931 1.00 0.00 C ATOM 979 C TYR A 60 279.532 125.620 393.794 1.00 0.00 C ATOM 980 O TYR A 60 278.704 126.128 394.532 1.00 0.00 O ATOM 981 CB TYR A 60 281.377 127.366 393.473 1.00 0.00 C ATOM 982 CG TYR A 60 280.901 128.556 394.274 1.00 0.00 C ATOM 983 CD1 TYR A 60 281.734 129.141 395.217 1.00 0.00 C ATOM 984 CD2 TYR A 60 279.761 129.241 393.883 1.00 0.00 C ATOM 985 CE1 TYR A 60 281.464 130.397 395.717 1.00 0.00 C ATOM 986 CE2 TYR A 60 279.466 130.485 394.408 1.00 0.00 C ATOM 987 CZ TYR A 60 280.325 131.062 395.316 1.00 0.00 C ATOM 988 OH TYR A 60 280.058 132.324 395.875 1.00 0.00 O ATOM 0 H TYR A 60 282.596 125.550 392.655 1.00 0.00 H new ATOM 0 HA TYR A 60 281.235 125.788 394.996 1.00 0.00 H new ATOM 0 HB2 TYR A 60 282.462 127.441 393.401 1.00 0.00 H new ATOM 0 HB3 TYR A 60 280.982 127.480 392.464 1.00 0.00 H new ATOM 0 HD1 TYR A 60 282.605 128.605 395.564 1.00 0.00 H new ATOM 0 HD2 TYR A 60 279.095 128.797 393.159 1.00 0.00 H new ATOM 0 HE1 TYR A 60 282.142 130.858 396.420 1.00 0.00 H new ATOM 0 HE2 TYR A 60 278.566 131.002 394.108 1.00 0.00 H new ATOM 0 HH TYR A 60 279.122 132.563 395.710 1.00 0.00 H new ATOM 998 N GLY A 61 279.159 124.739 392.838 1.00 0.00 N ATOM 999 CA GLY A 61 277.854 124.101 392.705 1.00 0.00 C ATOM 1000 C GLY A 61 277.699 122.734 393.379 1.00 0.00 C ATOM 1001 O GLY A 61 276.656 122.118 393.207 1.00 0.00 O ATOM 0 H GLY A 61 279.805 124.446 392.105 1.00 0.00 H new ATOM 0 HA2 GLY A 61 277.100 124.773 393.115 1.00 0.00 H new ATOM 0 HA3 GLY A 61 277.635 123.987 391.643 1.00 0.00 H new ATOM 1005 N LYS A 62 278.704 122.196 394.147 1.00 0.00 N ATOM 1006 CA LYS A 62 278.690 120.873 394.797 1.00 0.00 C ATOM 1007 C LYS A 62 278.190 120.837 396.244 1.00 0.00 C ATOM 1008 O LYS A 62 277.275 120.082 396.552 1.00 0.00 O ATOM 1009 CB LYS A 62 280.009 120.043 394.542 1.00 0.00 C ATOM 1010 CG LYS A 62 281.040 119.746 395.670 1.00 0.00 C ATOM 1011 CD LYS A 62 281.866 120.939 396.188 1.00 0.00 C ATOM 1012 CE LYS A 62 281.964 120.982 397.718 1.00 0.00 C ATOM 1013 NZ LYS A 62 283.142 120.247 398.229 1.00 0.00 N1+ ATOM 0 H LYS A 62 279.570 122.705 394.326 1.00 0.00 H new ATOM 0 HA LYS A 62 277.897 120.340 394.273 1.00 0.00 H new ATOM 0 HB2 LYS A 62 279.698 119.078 394.141 1.00 0.00 H new ATOM 0 HB3 LYS A 62 280.553 120.557 393.749 1.00 0.00 H new ATOM 0 HG2 LYS A 62 280.504 119.312 396.514 1.00 0.00 H new ATOM 0 HG3 LYS A 62 281.732 118.986 395.306 1.00 0.00 H new ATOM 0 HD2 LYS A 62 282.870 120.889 395.767 1.00 0.00 H new ATOM 0 HD3 LYS A 62 281.417 121.866 395.832 1.00 0.00 H new ATOM 0 HE2 LYS A 62 282.016 122.020 398.047 1.00 0.00 H new ATOM 0 HE3 LYS A 62 281.058 120.556 398.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 283.301 120.497 399.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 282.973 119.224 398.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 283.981 120.503 397.670 1.00 0.00 H new ATOM 1027 N ALA A 63 278.722 121.673 397.189 1.00 0.00 N ATOM 1028 CA ALA A 63 278.284 121.750 398.604 1.00 0.00 C ATOM 1029 C ALA A 63 277.019 122.589 398.833 1.00 0.00 C ATOM 1030 O ALA A 63 276.529 122.721 399.957 1.00 0.00 O ATOM 1031 CB ALA A 63 279.402 122.226 399.582 1.00 0.00 C ATOM 0 H ALA A 63 279.481 122.320 396.975 1.00 0.00 H new ATOM 0 HA ALA A 63 278.040 120.713 398.835 1.00 0.00 H new ATOM 0 HB1 ALA A 63 279.008 122.258 400.598 1.00 0.00 H new ATOM 0 HB2 ALA A 63 280.242 121.532 399.540 1.00 0.00 H new ATOM 0 HB3 ALA A 63 279.739 123.221 399.293 1.00 0.00 H new ATOM 1037 N ILE A 64 276.439 123.144 397.741 1.00 0.00 N ATOM 1038 CA ILE A 64 275.203 123.922 397.729 1.00 0.00 C ATOM 1039 C ILE A 64 274.017 123.146 397.114 1.00 0.00 C ATOM 1040 O ILE A 64 273.738 123.280 395.924 1.00 0.00 O ATOM 1041 CB ILE A 64 275.421 125.303 397.093 1.00 0.00 C ATOM 1042 CG1 ILE A 64 274.166 126.202 397.179 1.00 0.00 C ATOM 1043 CG2 ILE A 64 276.022 125.235 395.672 1.00 0.00 C ATOM 1044 CD1 ILE A 64 274.504 127.700 397.201 1.00 0.00 C ATOM 0 H ILE A 64 276.847 123.050 396.811 1.00 0.00 H new ATOM 0 HA ILE A 64 274.918 124.097 398.766 1.00 0.00 H new ATOM 0 HB ILE A 64 276.183 125.791 397.701 1.00 0.00 H new ATOM 0 HG12 ILE A 64 273.517 125.994 396.328 1.00 0.00 H new ATOM 0 HG13 ILE A 64 273.604 125.948 398.078 1.00 0.00 H new ATOM 0 HG21 ILE A 64 276.150 126.245 395.282 1.00 0.00 H new ATOM 0 HG22 ILE A 64 276.990 124.736 395.710 1.00 0.00 H new ATOM 0 HG23 ILE A 64 275.351 124.676 395.019 1.00 0.00 H new ATOM 0 HD11 ILE A 64 273.583 128.280 397.262 1.00 0.00 H new ATOM 0 HD12 ILE A 64 275.129 127.919 398.067 1.00 0.00 H new ATOM 0 HD13 ILE A 64 275.040 127.965 396.290 1.00 0.00 H new ATOM 1056 N PRO A 65 273.243 122.308 397.853 1.00 0.00 N ATOM 1057 CA PRO A 65 272.027 121.649 397.347 1.00 0.00 C ATOM 1058 C PRO A 65 270.822 122.630 397.386 1.00 0.00 C ATOM 1059 O PRO A 65 271.030 123.771 397.809 1.00 0.00 O ATOM 1060 CB PRO A 65 271.880 120.488 398.360 1.00 0.00 C ATOM 1061 CG PRO A 65 272.334 121.085 399.692 1.00 0.00 C ATOM 1062 CD PRO A 65 273.484 121.998 399.265 1.00 0.00 C ATOM 0 HA PRO A 65 272.072 121.316 396.310 1.00 0.00 H new ATOM 0 HB2 PRO A 65 270.850 120.135 398.413 1.00 0.00 H new ATOM 0 HB3 PRO A 65 272.495 119.634 398.077 1.00 0.00 H new ATOM 0 HG2 PRO A 65 271.534 121.640 400.182 1.00 0.00 H new ATOM 0 HG3 PRO A 65 272.663 120.316 400.391 1.00 0.00 H new ATOM 0 HD2 PRO A 65 273.506 122.907 399.867 1.00 0.00 H new ATOM 0 HD3 PRO A 65 274.446 121.504 399.398 1.00 0.00 H new ATOM 1070 N PRO A 66 269.556 122.342 396.997 1.00 0.00 N ATOM 1071 CA PRO A 66 268.429 123.292 397.088 1.00 0.00 C ATOM 1072 C PRO A 66 267.921 123.475 398.541 1.00 0.00 C ATOM 1073 O PRO A 66 266.840 123.008 398.890 1.00 0.00 O ATOM 1074 CB PRO A 66 267.383 122.665 396.142 1.00 0.00 C ATOM 1075 CG PRO A 66 267.652 121.160 396.212 1.00 0.00 C ATOM 1076 CD PRO A 66 269.172 121.088 396.349 1.00 0.00 C ATOM 0 HA PRO A 66 268.694 124.310 396.801 1.00 0.00 H new ATOM 0 HB2 PRO A 66 266.368 122.901 396.461 1.00 0.00 H new ATOM 0 HB3 PRO A 66 267.493 123.040 395.125 1.00 0.00 H new ATOM 0 HG2 PRO A 66 267.148 120.699 397.062 1.00 0.00 H new ATOM 0 HG3 PRO A 66 267.303 120.646 395.317 1.00 0.00 H new ATOM 0 HD2 PRO A 66 269.474 120.227 396.946 1.00 0.00 H new ATOM 0 HD3 PRO A 66 269.651 120.984 395.375 1.00 0.00 H new ATOM 1084 N ALA A 67 268.731 124.161 399.384 1.00 0.00 N ATOM 1085 CA ALA A 67 268.535 124.435 400.792 1.00 0.00 C ATOM 1086 C ALA A 67 269.512 125.574 401.114 1.00 0.00 C ATOM 1087 O ALA A 67 270.235 125.946 400.192 1.00 0.00 O ATOM 1088 CB ALA A 67 268.857 123.147 401.595 1.00 0.00 C ATOM 0 H ALA A 67 269.607 124.562 399.048 1.00 0.00 H new ATOM 0 HA ALA A 67 267.515 124.724 401.047 1.00 0.00 H new ATOM 0 HB1 ALA A 67 268.714 123.336 402.659 1.00 0.00 H new ATOM 0 HB2 ALA A 67 268.192 122.344 401.277 1.00 0.00 H new ATOM 0 HB3 ALA A 67 269.891 122.855 401.414 1.00 0.00 H new ATOM 1094 N PRO A 68 269.570 126.223 402.307 1.00 0.00 N ATOM 1095 CA PRO A 68 270.553 127.266 402.636 1.00 0.00 C ATOM 1096 C PRO A 68 271.842 126.667 403.278 1.00 0.00 C ATOM 1097 O PRO A 68 271.787 126.387 404.482 1.00 0.00 O ATOM 1098 CB PRO A 68 269.754 128.148 403.623 1.00 0.00 C ATOM 1099 CG PRO A 68 268.804 127.190 404.361 1.00 0.00 C ATOM 1100 CD PRO A 68 268.574 126.044 403.365 1.00 0.00 C ATOM 0 HA PRO A 68 270.928 127.813 401.771 1.00 0.00 H new ATOM 0 HB2 PRO A 68 270.419 128.655 404.322 1.00 0.00 H new ATOM 0 HB3 PRO A 68 269.197 128.922 403.094 1.00 0.00 H new ATOM 0 HG2 PRO A 68 269.246 126.828 405.289 1.00 0.00 H new ATOM 0 HG3 PRO A 68 267.868 127.682 404.624 1.00 0.00 H new ATOM 0 HD2 PRO A 68 268.691 125.075 403.851 1.00 0.00 H new ATOM 0 HD3 PRO A 68 267.563 126.077 402.959 1.00 0.00 H new ATOM 1108 N PRO A 69 273.020 126.482 402.624 1.00 0.00 N ATOM 1109 CA PRO A 69 274.219 125.848 403.209 1.00 0.00 C ATOM 1110 C PRO A 69 275.020 126.762 404.182 1.00 0.00 C ATOM 1111 O PRO A 69 276.153 127.180 403.894 1.00 0.00 O ATOM 1112 CB PRO A 69 274.990 125.406 401.957 1.00 0.00 C ATOM 1113 CG PRO A 69 274.691 126.502 400.934 1.00 0.00 C ATOM 1114 CD PRO A 69 273.227 126.838 401.221 1.00 0.00 C ATOM 0 HA PRO A 69 273.986 125.019 403.877 1.00 0.00 H new ATOM 0 HB2 PRO A 69 276.059 125.325 402.154 1.00 0.00 H new ATOM 0 HB3 PRO A 69 274.655 124.430 401.606 1.00 0.00 H new ATOM 0 HG2 PRO A 69 275.339 127.368 401.067 1.00 0.00 H new ATOM 0 HG3 PRO A 69 274.833 126.152 399.912 1.00 0.00 H new ATOM 0 HD2 PRO A 69 273.025 127.895 401.049 1.00 0.00 H new ATOM 0 HD3 PRO A 69 272.559 126.275 400.569 1.00 0.00 H new ATOM 1122 N ALA A 70 274.382 127.009 405.360 1.00 0.00 N ATOM 1123 CA ALA A 70 274.790 127.766 406.537 1.00 0.00 C ATOM 1124 C ALA A 70 274.533 129.271 406.381 1.00 0.00 C ATOM 1125 O ALA A 70 275.338 129.904 405.709 1.00 0.00 O ATOM 1126 CB ALA A 70 276.255 127.485 406.967 1.00 0.00 C ATOM 0 H ALA A 70 273.449 126.623 405.505 1.00 0.00 H new ATOM 0 HA ALA A 70 274.154 127.407 407.346 1.00 0.00 H new ATOM 0 HB1 ALA A 70 276.496 128.079 407.848 1.00 0.00 H new ATOM 0 HB2 ALA A 70 276.369 126.426 407.201 1.00 0.00 H new ATOM 0 HB3 ALA A 70 276.930 127.752 406.154 1.00 0.00 H new ATOM 1132 N PRO A 71 273.475 129.934 406.908 1.00 0.00 N ATOM 1133 CA PRO A 71 273.262 131.376 406.746 1.00 0.00 C ATOM 1134 C PRO A 71 274.112 132.200 407.745 1.00 0.00 C ATOM 1135 O PRO A 71 274.471 131.653 408.791 1.00 0.00 O ATOM 1136 CB PRO A 71 271.750 131.517 407.029 1.00 0.00 C ATOM 1137 CG PRO A 71 271.439 130.424 408.058 1.00 0.00 C ATOM 1138 CD PRO A 71 272.397 129.292 407.665 1.00 0.00 C ATOM 0 HA PRO A 71 273.559 131.752 405.767 1.00 0.00 H new ATOM 0 HB2 PRO A 71 271.511 132.506 407.419 1.00 0.00 H new ATOM 0 HB3 PRO A 71 271.163 131.383 406.120 1.00 0.00 H new ATOM 0 HG2 PRO A 71 271.618 130.767 409.077 1.00 0.00 H new ATOM 0 HG3 PRO A 71 270.398 130.107 408.006 1.00 0.00 H new ATOM 0 HD2 PRO A 71 272.786 128.784 408.547 1.00 0.00 H new ATOM 0 HD3 PRO A 71 271.889 128.540 407.062 1.00 0.00 H new ATOM 1146 N PRO A 72 274.495 133.474 407.496 1.00 0.00 N ATOM 1147 CA PRO A 72 275.193 134.328 408.463 1.00 0.00 C ATOM 1148 C PRO A 72 274.224 134.857 409.548 1.00 0.00 C ATOM 1149 O PRO A 72 273.129 135.324 409.239 1.00 0.00 O ATOM 1150 CB PRO A 72 275.758 135.463 407.581 1.00 0.00 C ATOM 1151 CG PRO A 72 274.776 135.579 406.408 1.00 0.00 C ATOM 1152 CD PRO A 72 274.281 134.151 406.217 1.00 0.00 C ATOM 0 HA PRO A 72 275.970 133.806 409.022 1.00 0.00 H new ATOM 0 HB2 PRO A 72 275.823 136.399 408.136 1.00 0.00 H new ATOM 0 HB3 PRO A 72 276.764 135.229 407.232 1.00 0.00 H new ATOM 0 HG2 PRO A 72 273.957 136.261 406.636 1.00 0.00 H new ATOM 0 HG3 PRO A 72 275.265 135.958 405.511 1.00 0.00 H new ATOM 0 HD2 PRO A 72 273.227 134.138 405.940 1.00 0.00 H new ATOM 0 HD3 PRO A 72 274.827 133.653 405.416 1.00 0.00 H new ATOM 1160 N LEU A 73 274.599 134.799 410.851 1.00 0.00 N ATOM 1161 CA LEU A 73 273.760 135.255 411.958 1.00 0.00 C ATOM 1162 C LEU A 73 274.463 136.323 412.781 1.00 0.00 C ATOM 1163 O LEU A 73 275.550 136.114 413.315 1.00 0.00 O ATOM 1164 CB LEU A 73 273.347 134.060 412.878 1.00 0.00 C ATOM 1165 CG LEU A 73 272.472 134.387 414.130 1.00 0.00 C ATOM 1166 CD1 LEU A 73 271.117 135.046 413.793 1.00 0.00 C ATOM 1167 CD2 LEU A 73 272.231 133.152 415.020 1.00 0.00 C ATOM 0 H LEU A 73 275.501 134.430 411.152 1.00 0.00 H new ATOM 0 HA LEU A 73 272.860 135.691 411.524 1.00 0.00 H new ATOM 0 HB2 LEU A 73 272.806 133.337 412.268 1.00 0.00 H new ATOM 0 HB3 LEU A 73 274.257 133.569 413.222 1.00 0.00 H new ATOM 0 HG LEU A 73 273.064 135.116 414.683 1.00 0.00 H new ATOM 0 HD11 LEU A 73 270.568 135.242 414.714 1.00 0.00 H new ATOM 0 HD12 LEU A 73 271.290 135.985 413.267 1.00 0.00 H new ATOM 0 HD13 LEU A 73 270.535 134.377 413.159 1.00 0.00 H new ATOM 0 HD21 LEU A 73 271.618 133.434 415.876 1.00 0.00 H new ATOM 0 HD22 LEU A 73 271.717 132.383 414.443 1.00 0.00 H new ATOM 0 HD23 LEU A 73 273.187 132.764 415.371 1.00 0.00 H new ATOM 1179 N THR A 74 273.789 137.492 412.947 1.00 0.00 N ATOM 1180 CA THR A 74 274.158 138.609 413.809 1.00 0.00 C ATOM 1181 C THR A 74 273.203 138.523 414.996 1.00 0.00 C ATOM 1182 O THR A 74 271.986 138.445 414.816 1.00 0.00 O ATOM 1183 CB THR A 74 274.058 139.975 413.108 1.00 0.00 C ATOM 1184 OG1 THR A 74 272.813 140.182 412.435 1.00 0.00 O ATOM 1185 CG2 THR A 74 275.163 140.050 412.041 1.00 0.00 C ATOM 0 H THR A 74 272.921 137.675 412.443 1.00 0.00 H new ATOM 0 HA THR A 74 275.204 138.536 414.107 1.00 0.00 H new ATOM 0 HB THR A 74 274.153 140.735 413.884 1.00 0.00 H new ATOM 0 HG1 THR A 74 272.079 139.860 412.999 1.00 0.00 H new ATOM 0 HG21 THR A 74 275.111 141.012 411.530 1.00 0.00 H new ATOM 0 HG22 THR A 74 276.137 139.945 412.518 1.00 0.00 H new ATOM 0 HG23 THR A 74 275.025 139.247 411.317 1.00 0.00 H new ATOM 1193 N LEU A 75 273.685 138.508 416.268 1.00 0.00 N ATOM 1194 CA LEU A 75 272.861 138.313 417.449 1.00 0.00 C ATOM 1195 C LEU A 75 272.069 139.544 417.897 1.00 0.00 C ATOM 1196 O LEU A 75 272.316 140.098 418.958 1.00 0.00 O ATOM 1197 CB LEU A 75 273.733 137.739 418.608 1.00 0.00 C ATOM 1198 CG LEU A 75 274.439 136.398 418.259 1.00 0.00 C ATOM 1199 CD1 LEU A 75 275.400 135.932 419.370 1.00 0.00 C ATOM 1200 CD2 LEU A 75 273.455 135.259 417.935 1.00 0.00 C ATOM 0 H LEU A 75 274.674 138.635 416.484 1.00 0.00 H new ATOM 0 HA LEU A 75 272.093 137.593 417.168 1.00 0.00 H new ATOM 0 HB2 LEU A 75 274.488 138.476 418.881 1.00 0.00 H new ATOM 0 HB3 LEU A 75 273.102 137.589 419.484 1.00 0.00 H new ATOM 0 HG LEU A 75 275.014 136.618 417.359 1.00 0.00 H new ATOM 0 HD11 LEU A 75 275.867 134.992 419.077 1.00 0.00 H new ATOM 0 HD12 LEU A 75 276.171 136.687 419.525 1.00 0.00 H new ATOM 0 HD13 LEU A 75 274.843 135.787 420.296 1.00 0.00 H new ATOM 0 HD21 LEU A 75 274.013 134.352 417.700 1.00 0.00 H new ATOM 0 HD22 LEU A 75 272.812 135.077 418.796 1.00 0.00 H new ATOM 0 HD23 LEU A 75 272.842 135.540 417.078 1.00 0.00 H new ATOM 1212 N SER A 76 271.050 139.942 417.082 1.00 0.00 N ATOM 1213 CA SER A 76 270.019 140.980 417.262 1.00 0.00 C ATOM 1214 C SER A 76 270.444 142.388 417.747 1.00 0.00 C ATOM 1215 O SER A 76 271.503 142.916 417.414 1.00 0.00 O ATOM 1216 CB SER A 76 268.836 140.424 418.120 1.00 0.00 C ATOM 1217 OG SER A 76 267.595 141.123 418.009 1.00 0.00 O ATOM 0 H SER A 76 270.927 139.482 416.180 1.00 0.00 H new ATOM 0 HA SER A 76 269.718 141.189 416.236 1.00 0.00 H new ATOM 0 HB2 SER A 76 268.670 139.384 417.841 1.00 0.00 H new ATOM 0 HB3 SER A 76 269.140 140.429 419.167 1.00 0.00 H new ATOM 0 HG SER A 76 266.862 140.533 418.283 1.00 0.00 H new ATOM 1223 N LYS A 77 269.571 142.984 418.592 1.00 0.00 N ATOM 1224 CA LYS A 77 269.687 144.258 419.291 1.00 0.00 C ATOM 1225 C LYS A 77 269.913 144.021 420.785 1.00 0.00 C ATOM 1226 O LYS A 77 270.813 144.600 421.389 1.00 0.00 O ATOM 1227 CB LYS A 77 268.405 145.103 419.057 1.00 0.00 C ATOM 1228 CG LYS A 77 268.389 146.498 419.712 1.00 0.00 C ATOM 1229 CD LYS A 77 267.083 147.268 419.454 1.00 0.00 C ATOM 1230 CE LYS A 77 265.856 146.664 420.157 1.00 0.00 C ATOM 1231 NZ LYS A 77 264.648 147.487 419.913 1.00 0.00 N1+ ATOM 0 H LYS A 77 268.685 142.529 418.814 1.00 0.00 H new ATOM 0 HA LYS A 77 270.544 144.806 418.899 1.00 0.00 H new ATOM 0 HB2 LYS A 77 268.265 145.226 417.983 1.00 0.00 H new ATOM 0 HB3 LYS A 77 267.549 144.539 419.428 1.00 0.00 H new ATOM 0 HG2 LYS A 77 268.535 146.390 420.787 1.00 0.00 H new ATOM 0 HG3 LYS A 77 269.229 147.081 419.333 1.00 0.00 H new ATOM 0 HD2 LYS A 77 267.209 148.299 419.785 1.00 0.00 H new ATOM 0 HD3 LYS A 77 266.896 147.299 418.381 1.00 0.00 H new ATOM 0 HE2 LYS A 77 265.688 145.649 419.796 1.00 0.00 H new ATOM 0 HE3 LYS A 77 266.043 146.595 421.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 263.833 147.059 420.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 264.803 148.448 420.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 264.459 147.532 418.891 1.00 0.00 H new ATOM 1245 N LEU A 78 269.077 143.148 421.413 1.00 0.00 N ATOM 1246 CA LEU A 78 269.095 142.773 422.832 1.00 0.00 C ATOM 1247 C LEU A 78 269.405 141.279 422.968 1.00 0.00 C ATOM 1248 O LEU A 78 268.963 140.578 423.875 1.00 0.00 O ATOM 1249 CB LEU A 78 267.782 143.220 423.552 1.00 0.00 C ATOM 1250 CG LEU A 78 266.459 143.119 422.746 1.00 0.00 C ATOM 1251 CD1 LEU A 78 265.994 141.680 422.471 1.00 0.00 C ATOM 1252 CD2 LEU A 78 265.346 143.885 423.483 1.00 0.00 C ATOM 0 H LEU A 78 268.336 142.667 420.903 1.00 0.00 H new ATOM 0 HA LEU A 78 269.895 143.307 423.345 1.00 0.00 H new ATOM 0 HB2 LEU A 78 267.673 142.622 424.456 1.00 0.00 H new ATOM 0 HB3 LEU A 78 267.906 144.256 423.868 1.00 0.00 H new ATOM 0 HG LEU A 78 266.665 143.563 421.772 1.00 0.00 H new ATOM 0 HD11 LEU A 78 265.064 141.700 421.904 1.00 0.00 H new ATOM 0 HD12 LEU A 78 266.757 141.154 421.897 1.00 0.00 H new ATOM 0 HD13 LEU A 78 265.831 141.163 423.417 1.00 0.00 H new ATOM 0 HD21 LEU A 78 264.418 143.813 422.916 1.00 0.00 H new ATOM 0 HD22 LEU A 78 265.201 143.453 424.473 1.00 0.00 H new ATOM 0 HD23 LEU A 78 265.630 144.933 423.583 1.00 0.00 H new ATOM 1264 N GLU A 79 270.209 140.804 421.991 1.00 0.00 N ATOM 1265 CA GLU A 79 270.739 139.480 421.692 1.00 0.00 C ATOM 1266 C GLU A 79 269.773 138.335 421.379 1.00 0.00 C ATOM 1267 O GLU A 79 269.095 137.757 422.225 1.00 0.00 O ATOM 1268 CB GLU A 79 272.107 139.047 422.292 1.00 0.00 C ATOM 1269 CG GLU A 79 273.133 140.181 422.524 1.00 0.00 C ATOM 1270 CD GLU A 79 272.831 140.998 423.782 1.00 0.00 C ATOM 1271 OE1 GLU A 79 272.724 140.386 424.877 1.00 0.00 O ATOM 1272 OE2 GLU A 79 272.711 142.247 423.662 1.00 0.00 O1- ATOM 0 H GLU A 79 270.547 141.461 421.288 1.00 0.00 H new ATOM 0 HA GLU A 79 271.038 139.786 420.690 1.00 0.00 H new ATOM 0 HB2 GLU A 79 271.923 138.550 423.244 1.00 0.00 H new ATOM 0 HB3 GLU A 79 272.555 138.308 421.628 1.00 0.00 H new ATOM 0 HG2 GLU A 79 274.132 139.752 422.605 1.00 0.00 H new ATOM 0 HG3 GLU A 79 273.140 140.843 421.658 1.00 0.00 H new ATOM 1279 N HIS A 80 269.732 138.008 420.059 1.00 0.00 N ATOM 1280 CA HIS A 80 268.946 137.053 419.276 1.00 0.00 C ATOM 1281 C HIS A 80 267.427 137.081 419.448 1.00 0.00 C ATOM 1282 O HIS A 80 266.773 138.077 419.130 1.00 0.00 O ATOM 1283 CB HIS A 80 269.535 135.604 419.258 1.00 0.00 C ATOM 1284 CG HIS A 80 269.268 134.691 420.439 1.00 0.00 C ATOM 1285 ND1 HIS A 80 269.147 135.093 421.751 1.00 0.00 N ATOM 1286 CD2 HIS A 80 269.180 133.331 420.467 1.00 0.00 C ATOM 1287 CE1 HIS A 80 268.986 133.978 422.500 1.00 0.00 C ATOM 1288 NE2 HIS A 80 269.001 132.886 421.764 1.00 0.00 N ATOM 0 H HIS A 80 270.364 138.503 419.429 1.00 0.00 H new ATOM 0 HA HIS A 80 269.072 137.457 418.271 1.00 0.00 H new ATOM 0 HB2 HIS A 80 269.159 135.106 418.364 1.00 0.00 H new ATOM 0 HB3 HIS A 80 270.616 135.689 419.144 1.00 0.00 H new ATOM 0 HD1 HIS A 80 269.174 136.053 422.094 1.00 0.00 H new ATOM 0 HD2 HIS A 80 269.241 132.691 419.599 1.00 0.00 H new ATOM 0 HE1 HIS A 80 268.860 133.983 423.573 1.00 0.00 H new TER 1296 HIS A 80