USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=22 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 76 SER OG : rot 90:sc= 1.7 USER MOD Set 1.2: A 80 HIS : no HE2:sc= 1.08 K(o=2.8,f=-3.5!) USER MOD Set 2.1: A 34 TYR OH : rot -94:sc= 1.25 USER MOD Set 2.2: A 49 ASN : amide:sc= 0.934 K(o=2.2,f=1.2) USER MOD Single : A 0 MET CE :methyl -167:sc= -0.0498 (180deg=-0.348) USER MOD Single : A 0 MET N :NH3+ -128:sc= 0.364 (180deg=-0.133) USER MOD Single : A 4 TYR OH : rot 35:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -71:sc= 0.872 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0193 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -1.16 F(o=-3.5,f=-1.2) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS :FLIP no HD1:sc= -2.37! F(o=-3.1,f=-2.4!) USER MOD Single : A 29 LYS NZ :NH3+ -146:sc= -0.0205 (180deg=-0.627) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.443 USER MOD Single : A 33 SER OG : rot 89:sc= 1.92 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -110:sc= -0.0245 USER MOD Single : A 47 HIS : no HD1:sc= -0.29 K(o=-0.29,f=-1) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= -0.0125 (180deg=-0.232) 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 163:sc= 1.17 USER MOD Single : A 62 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.621) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.166 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 279.897 122.070 407.540 1.00 0.00 N ATOM 2 CA MET A 0 280.911 122.852 406.880 1.00 0.00 C ATOM 3 C MET A 0 281.867 121.820 406.285 1.00 0.00 C ATOM 4 O MET A 0 281.558 120.629 406.317 1.00 0.00 O ATOM 5 CB MET A 0 281.551 123.921 407.827 1.00 0.00 C ATOM 6 CG MET A 0 280.521 124.925 408.419 1.00 0.00 C ATOM 7 SD MET A 0 281.241 126.254 409.436 1.00 0.00 S ATOM 8 CE MET A 0 282.125 125.278 410.687 1.00 0.00 C ATOM 0 H1 MET A 0 278.957 122.378 407.219 1.00 0.00 H new ATOM 0 H2 MET A 0 280.029 121.065 407.309 1.00 0.00 H new ATOM 0 H3 MET A 0 279.972 122.202 408.569 1.00 0.00 H new ATOM 0 HA MET A 0 280.520 123.485 406.084 1.00 0.00 H new ATOM 0 HB2 MET A 0 282.060 123.411 408.645 1.00 0.00 H new ATOM 0 HB3 MET A 0 282.310 124.475 407.275 1.00 0.00 H new ATOM 0 HG2 MET A 0 279.964 125.377 407.599 1.00 0.00 H new ATOM 0 HG3 MET A 0 279.804 124.372 409.025 1.00 0.00 H new ATOM 0 HE1 MET A 0 282.424 125.927 411.510 1.00 0.00 H new ATOM 0 HE2 MET A 0 281.471 124.492 411.064 1.00 0.00 H new ATOM 0 HE3 MET A 0 283.011 124.829 410.239 1.00 0.00 H new ATOM 18 N GLY A 1 283.036 122.216 405.708 1.00 0.00 N ATOM 19 CA GLY A 1 283.961 121.231 405.118 1.00 0.00 C ATOM 20 C GLY A 1 285.041 121.875 404.286 1.00 0.00 C ATOM 21 O GLY A 1 286.053 122.323 404.811 1.00 0.00 O ATOM 0 H GLY A 1 283.346 123.186 405.644 1.00 0.00 H new ATOM 0 HA2 GLY A 1 284.421 120.647 405.915 1.00 0.00 H new ATOM 0 HA3 GLY A 1 283.397 120.534 404.498 1.00 0.00 H new ATOM 25 N ILE A 2 284.849 121.985 402.938 1.00 0.00 N ATOM 26 CA ILE A 2 285.728 122.724 402.011 1.00 0.00 C ATOM 27 C ILE A 2 285.223 124.166 401.930 1.00 0.00 C ATOM 28 O ILE A 2 284.013 124.396 401.884 1.00 0.00 O ATOM 29 CB ILE A 2 285.757 122.215 400.562 1.00 0.00 C ATOM 30 CG1 ILE A 2 285.919 120.680 400.487 1.00 0.00 C ATOM 31 CG2 ILE A 2 286.868 122.993 399.800 1.00 0.00 C ATOM 32 CD1 ILE A 2 286.170 120.162 399.063 1.00 0.00 C ATOM 0 H ILE A 2 284.057 121.548 402.466 1.00 0.00 H new ATOM 0 HA ILE A 2 286.732 122.602 402.418 1.00 0.00 H new ATOM 0 HB ILE A 2 284.800 122.409 400.078 1.00 0.00 H new ATOM 0 HG12 ILE A 2 286.748 120.378 401.127 1.00 0.00 H new ATOM 0 HG13 ILE A 2 285.021 120.207 400.885 1.00 0.00 H new ATOM 0 HG21 ILE A 2 286.909 122.649 398.766 1.00 0.00 H new ATOM 0 HG22 ILE A 2 286.644 124.060 399.819 1.00 0.00 H new ATOM 0 HG23 ILE A 2 287.831 122.816 400.280 1.00 0.00 H new ATOM 0 HD11 ILE A 2 286.274 119.077 399.084 1.00 0.00 H new ATOM 0 HD12 ILE A 2 285.330 120.434 398.424 1.00 0.00 H new ATOM 0 HD13 ILE A 2 287.084 120.607 398.670 1.00 0.00 H new ATOM 44 N ASP A 3 286.110 125.204 401.870 1.00 0.00 N ATOM 45 CA ASP A 3 285.629 126.575 401.926 1.00 0.00 C ATOM 46 C ASP A 3 285.195 127.248 400.640 1.00 0.00 C ATOM 47 O ASP A 3 285.722 128.286 400.264 1.00 0.00 O ATOM 48 CB ASP A 3 286.768 127.441 402.571 1.00 0.00 C ATOM 49 CG ASP A 3 286.232 128.667 403.293 1.00 0.00 C ATOM 50 OD1 ASP A 3 285.002 128.750 403.550 1.00 0.00 O ATOM 51 OD2 ASP A 3 287.067 129.544 403.604 1.00 0.00 O1- ATOM 0 H ASP A 3 287.121 125.102 401.786 1.00 0.00 H new ATOM 0 HA ASP A 3 284.704 126.511 402.499 1.00 0.00 H new ATOM 0 HB2 ASP A 3 287.332 126.828 403.274 1.00 0.00 H new ATOM 0 HB3 ASP A 3 287.464 127.757 401.794 1.00 0.00 H new ATOM 56 N TYR A 4 284.096 126.714 400.067 1.00 0.00 N ATOM 57 CA TYR A 4 283.051 127.266 399.241 1.00 0.00 C ATOM 58 C TYR A 4 281.995 128.102 399.943 1.00 0.00 C ATOM 59 O TYR A 4 281.826 129.298 399.739 1.00 0.00 O ATOM 60 CB TYR A 4 282.392 126.254 398.295 1.00 0.00 C ATOM 61 CG TYR A 4 283.357 125.241 397.855 1.00 0.00 C ATOM 62 CD1 TYR A 4 284.434 125.623 397.102 1.00 0.00 C ATOM 63 CD2 TYR A 4 283.125 123.908 398.100 1.00 0.00 C ATOM 64 CE1 TYR A 4 285.278 124.667 396.620 1.00 0.00 C ATOM 65 CE2 TYR A 4 283.994 122.966 397.617 1.00 0.00 C ATOM 66 CZ TYR A 4 285.122 123.341 396.938 1.00 0.00 C ATOM 67 OH TYR A 4 285.991 122.372 396.401 1.00 0.00 O ATOM 0 H TYR A 4 283.914 125.721 400.212 1.00 0.00 H new ATOM 0 HA TYR A 4 283.625 127.972 398.641 1.00 0.00 H new ATOM 0 HB2 TYR A 4 281.556 125.770 398.800 1.00 0.00 H new ATOM 0 HB3 TYR A 4 281.984 126.773 397.428 1.00 0.00 H new ATOM 0 HD1 TYR A 4 284.613 126.667 396.893 1.00 0.00 H new ATOM 0 HD2 TYR A 4 282.260 123.605 398.672 1.00 0.00 H new ATOM 0 HE1 TYR A 4 286.090 124.961 395.971 1.00 0.00 H new ATOM 0 HE2 TYR A 4 283.787 121.918 397.773 1.00 0.00 H new ATOM 0 HH TYR A 4 286.893 122.748 396.324 1.00 0.00 H new ATOM 77 N SER A 5 281.179 127.376 400.772 1.00 0.00 N ATOM 78 CA SER A 5 279.896 127.730 401.395 1.00 0.00 C ATOM 79 C SER A 5 279.852 128.968 402.261 1.00 0.00 C ATOM 80 O SER A 5 279.018 129.819 401.980 1.00 0.00 O ATOM 81 CB SER A 5 279.204 126.522 402.082 1.00 0.00 C ATOM 82 OG SER A 5 278.926 125.495 401.130 1.00 0.00 O ATOM 0 H SER A 5 281.450 126.429 401.037 1.00 0.00 H new ATOM 0 HA SER A 5 279.310 128.024 400.524 1.00 0.00 H new ATOM 0 HB2 SER A 5 279.845 126.130 402.872 1.00 0.00 H new ATOM 0 HB3 SER A 5 278.278 126.847 402.555 1.00 0.00 H new ATOM 0 HG SER A 5 278.491 124.741 401.580 1.00 0.00 H new ATOM 88 N GLY A 6 280.809 129.231 403.213 1.00 0.00 N ATOM 89 CA GLY A 6 281.022 130.547 403.840 1.00 0.00 C ATOM 90 C GLY A 6 281.232 131.722 402.889 1.00 0.00 C ATOM 91 O GLY A 6 280.791 132.840 403.097 1.00 0.00 O ATOM 0 H GLY A 6 281.450 128.516 403.557 1.00 0.00 H new ATOM 0 HA2 GLY A 6 280.162 130.768 404.473 1.00 0.00 H new ATOM 0 HA3 GLY A 6 281.890 130.478 404.495 1.00 0.00 H new ATOM 95 N LEU A 7 281.900 131.498 401.732 1.00 0.00 N ATOM 96 CA LEU A 7 282.229 132.459 400.707 1.00 0.00 C ATOM 97 C LEU A 7 281.000 132.781 399.873 1.00 0.00 C ATOM 98 O LEU A 7 280.669 133.947 399.674 1.00 0.00 O ATOM 99 CB LEU A 7 283.543 132.090 399.954 1.00 0.00 C ATOM 100 CG LEU A 7 284.812 131.953 400.853 1.00 0.00 C ATOM 101 CD1 LEU A 7 284.680 131.014 402.019 1.00 0.00 C ATOM 102 CD2 LEU A 7 285.957 131.233 400.165 1.00 0.00 C ATOM 0 H LEU A 7 282.238 130.565 401.495 1.00 0.00 H new ATOM 0 HA LEU A 7 282.498 133.417 401.153 1.00 0.00 H new ATOM 0 HB2 LEU A 7 283.388 131.148 399.427 1.00 0.00 H new ATOM 0 HB3 LEU A 7 283.735 132.851 399.197 1.00 0.00 H new ATOM 0 HG LEU A 7 284.963 133.000 401.115 1.00 0.00 H new ATOM 0 HD11 LEU A 7 285.616 130.993 402.577 1.00 0.00 H new ATOM 0 HD12 LEU A 7 283.876 131.355 402.672 1.00 0.00 H new ATOM 0 HD13 LEU A 7 284.451 130.012 401.655 1.00 0.00 H new ATOM 0 HD21 LEU A 7 286.808 131.171 400.843 1.00 0.00 H new ATOM 0 HD22 LEU A 7 285.640 130.228 399.888 1.00 0.00 H new ATOM 0 HD23 LEU A 7 286.246 131.782 399.269 1.00 0.00 H new ATOM 114 N ARG A 8 280.228 131.747 399.433 1.00 0.00 N ATOM 115 CA ARG A 8 278.913 131.927 398.808 1.00 0.00 C ATOM 116 C ARG A 8 277.767 132.410 399.699 1.00 0.00 C ATOM 117 O ARG A 8 276.909 133.158 399.232 1.00 0.00 O ATOM 118 CB ARG A 8 278.537 130.804 397.782 1.00 0.00 C ATOM 119 CG ARG A 8 279.289 129.462 397.948 1.00 0.00 C ATOM 120 CD ARG A 8 278.874 128.378 396.927 1.00 0.00 C ATOM 121 NE ARG A 8 279.607 127.037 397.118 1.00 0.00 N ATOM 122 CZ ARG A 8 278.964 126.017 397.769 1.00 0.00 C ATOM 123 NH1 ARG A 8 277.818 126.245 398.470 1.00 0.00 N1+ ATOM 124 NH2 ARG A 8 279.462 124.754 397.656 1.00 0.00 N ATOM 0 H ARG A 8 280.513 130.770 399.508 1.00 0.00 H new ATOM 0 HA ARG A 8 279.071 132.821 398.204 1.00 0.00 H new ATOM 0 HB2 ARG A 8 277.467 130.611 397.859 1.00 0.00 H new ATOM 0 HB3 ARG A 8 278.722 131.180 396.776 1.00 0.00 H new ATOM 0 HG2 ARG A 8 280.360 129.643 397.855 1.00 0.00 H new ATOM 0 HG3 ARG A 8 279.116 129.083 398.955 1.00 0.00 H new ATOM 0 HD2 ARG A 8 277.800 128.210 397.005 1.00 0.00 H new ATOM 0 HD3 ARG A 8 279.066 128.747 395.920 1.00 0.00 H new ATOM 0 HE ARG A 8 280.556 126.910 396.766 1.00 0.00 H new ATOM 0 HH11 ARG A 8 277.427 127.186 398.516 1.00 0.00 H new ATOM 0 HH12 ARG A 8 277.351 125.475 398.949 1.00 0.00 H new ATOM 0 HH21 ARG A 8 280.297 124.583 397.096 1.00 0.00 H new ATOM 0 HH22 ARG A 8 279.000 123.979 398.132 1.00 0.00 H new ATOM 138 N THR A 9 277.741 132.034 401.007 1.00 0.00 N ATOM 139 CA THR A 9 276.752 132.495 401.985 1.00 0.00 C ATOM 140 C THR A 9 277.035 133.861 402.615 1.00 0.00 C ATOM 141 O THR A 9 276.095 134.600 402.900 1.00 0.00 O ATOM 142 CB THR A 9 276.355 131.357 402.910 1.00 0.00 C ATOM 143 OG1 THR A 9 275.010 131.452 403.346 1.00 0.00 O ATOM 144 CG2 THR A 9 277.237 131.118 404.141 1.00 0.00 C ATOM 0 H THR A 9 278.425 131.390 401.405 1.00 0.00 H new ATOM 0 HA THR A 9 275.840 132.756 401.447 1.00 0.00 H new ATOM 0 HB THR A 9 276.502 130.497 402.256 1.00 0.00 H new ATOM 0 HG1 THR A 9 274.924 132.193 403.981 1.00 0.00 H new ATOM 0 HG21 THR A 9 276.842 130.279 404.714 1.00 0.00 H new ATOM 0 HG22 THR A 9 278.254 130.893 403.821 1.00 0.00 H new ATOM 0 HG23 THR A 9 277.242 132.012 404.764 1.00 0.00 H new ATOM 152 N ILE A 10 278.332 134.259 402.806 1.00 0.00 N ATOM 153 CA ILE A 10 278.727 135.588 403.287 1.00 0.00 C ATOM 154 C ILE A 10 279.074 136.560 402.120 1.00 0.00 C ATOM 155 O ILE A 10 278.804 137.754 402.243 1.00 0.00 O ATOM 156 CB ILE A 10 279.859 135.549 404.366 1.00 0.00 C ATOM 157 CG1 ILE A 10 279.472 134.846 405.702 1.00 0.00 C ATOM 158 CG2 ILE A 10 280.309 136.957 404.834 1.00 0.00 C ATOM 159 CD1 ILE A 10 279.703 133.341 405.821 1.00 0.00 C ATOM 0 H ILE A 10 279.127 133.646 402.623 1.00 0.00 H new ATOM 0 HA ILE A 10 277.846 135.987 403.790 1.00 0.00 H new ATOM 0 HB ILE A 10 280.635 135.000 403.832 1.00 0.00 H new ATOM 0 HG12 ILE A 10 280.025 135.332 406.506 1.00 0.00 H new ATOM 0 HG13 ILE A 10 278.414 135.035 405.883 1.00 0.00 H new ATOM 0 HG21 ILE A 10 281.096 136.858 405.582 1.00 0.00 H new ATOM 0 HG22 ILE A 10 280.688 137.520 403.981 1.00 0.00 H new ATOM 0 HG23 ILE A 10 279.460 137.485 405.268 1.00 0.00 H new ATOM 0 HD11 ILE A 10 279.385 133.001 406.806 1.00 0.00 H new ATOM 0 HD12 ILE A 10 279.127 132.823 405.055 1.00 0.00 H new ATOM 0 HD13 ILE A 10 280.763 133.124 405.687 1.00 0.00 H new ATOM 171 N PHE A 11 279.720 136.160 400.970 1.00 0.00 N ATOM 172 CA PHE A 11 280.246 137.142 399.987 1.00 0.00 C ATOM 173 C PHE A 11 279.476 137.141 398.676 1.00 0.00 C ATOM 174 O PHE A 11 279.305 138.177 398.031 1.00 0.00 O ATOM 175 CB PHE A 11 281.786 136.988 399.719 1.00 0.00 C ATOM 176 CG PHE A 11 282.533 136.803 401.021 1.00 0.00 C ATOM 177 CD1 PHE A 11 283.281 135.660 401.231 1.00 0.00 C ATOM 178 CD2 PHE A 11 282.472 137.732 402.047 1.00 0.00 C ATOM 179 CE1 PHE A 11 283.883 135.403 402.446 1.00 0.00 C ATOM 180 CE2 PHE A 11 283.081 137.484 403.265 1.00 0.00 C ATOM 181 CZ PHE A 11 283.777 136.310 403.473 1.00 0.00 C ATOM 0 H PHE A 11 279.880 135.185 400.717 1.00 0.00 H new ATOM 0 HA PHE A 11 280.093 138.112 400.461 1.00 0.00 H new ATOM 0 HB2 PHE A 11 281.964 136.134 399.066 1.00 0.00 H new ATOM 0 HB3 PHE A 11 282.161 137.870 399.200 1.00 0.00 H new ATOM 0 HD1 PHE A 11 283.397 134.951 400.425 1.00 0.00 H new ATOM 0 HD2 PHE A 11 281.943 138.661 401.895 1.00 0.00 H new ATOM 0 HE1 PHE A 11 284.438 134.488 402.590 1.00 0.00 H new ATOM 0 HE2 PHE A 11 283.011 138.214 404.058 1.00 0.00 H new ATOM 0 HZ PHE A 11 284.233 136.107 404.431 1.00 0.00 H new ATOM 191 N GLY A 12 278.923 135.963 398.302 1.00 0.00 N ATOM 192 CA GLY A 12 277.927 135.818 397.247 1.00 0.00 C ATOM 193 C GLY A 12 278.385 135.166 395.974 1.00 0.00 C ATOM 194 O GLY A 12 278.315 133.952 395.829 1.00 0.00 O ATOM 0 H GLY A 12 279.171 135.077 398.742 1.00 0.00 H new ATOM 0 HA2 GLY A 12 277.092 135.241 397.644 1.00 0.00 H new ATOM 0 HA3 GLY A 12 277.542 136.808 397.003 1.00 0.00 H new ATOM 198 N GLU A 13 278.807 135.976 394.972 1.00 0.00 N ATOM 199 CA GLU A 13 279.058 135.569 393.587 1.00 0.00 C ATOM 200 C GLU A 13 280.323 134.789 393.226 1.00 0.00 C ATOM 201 O GLU A 13 280.302 133.984 392.299 1.00 0.00 O ATOM 202 CB GLU A 13 278.914 136.809 392.658 1.00 0.00 C ATOM 203 CG GLU A 13 279.923 137.947 392.924 1.00 0.00 C ATOM 204 CD GLU A 13 279.625 139.124 391.997 1.00 0.00 C ATOM 205 OE1 GLU A 13 279.277 140.218 392.517 1.00 0.00 O ATOM 206 OE2 GLU A 13 279.744 138.946 390.754 1.00 0.00 O1- ATOM 0 H GLU A 13 278.986 136.969 395.124 1.00 0.00 H new ATOM 0 HA GLU A 13 278.296 134.805 393.435 1.00 0.00 H new ATOM 0 HB2 GLU A 13 279.022 136.483 391.623 1.00 0.00 H new ATOM 0 HB3 GLU A 13 277.905 137.207 392.763 1.00 0.00 H new ATOM 0 HG2 GLU A 13 279.861 138.266 393.964 1.00 0.00 H new ATOM 0 HG3 GLU A 13 280.940 137.591 392.760 1.00 0.00 H new ATOM 213 N LYS A 14 281.461 135.025 393.912 1.00 0.00 N ATOM 214 CA LYS A 14 282.725 134.382 393.590 1.00 0.00 C ATOM 215 C LYS A 14 283.384 134.076 394.914 1.00 0.00 C ATOM 216 O LYS A 14 282.727 134.036 395.951 1.00 0.00 O ATOM 217 CB LYS A 14 283.595 135.346 392.725 1.00 0.00 C ATOM 218 CG LYS A 14 284.664 134.681 391.838 1.00 0.00 C ATOM 219 CD LYS A 14 285.761 135.670 391.408 1.00 0.00 C ATOM 220 CE LYS A 14 285.274 136.751 390.433 1.00 0.00 C ATOM 221 NZ LYS A 14 286.398 137.610 389.993 1.00 0.00 N1+ ATOM 0 H LYS A 14 281.516 135.668 394.702 1.00 0.00 H new ATOM 0 HA LYS A 14 282.592 133.468 393.011 1.00 0.00 H new ATOM 0 HB2 LYS A 14 282.931 135.927 392.085 1.00 0.00 H new ATOM 0 HB3 LYS A 14 284.092 136.051 393.391 1.00 0.00 H new ATOM 0 HG2 LYS A 14 285.118 133.851 392.380 1.00 0.00 H new ATOM 0 HG3 LYS A 14 284.188 134.261 390.952 1.00 0.00 H new ATOM 0 HD2 LYS A 14 286.170 136.152 392.296 1.00 0.00 H new ATOM 0 HD3 LYS A 14 286.575 135.115 390.943 1.00 0.00 H new ATOM 0 HE2 LYS A 14 284.808 136.282 389.566 1.00 0.00 H new ATOM 0 HE3 LYS A 14 284.510 137.362 390.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 286.045 138.333 389.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 286.825 138.074 390.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 287.114 137.027 389.515 1.00 0.00 H new ATOM 235 N LEU A 15 284.723 133.908 394.939 1.00 0.00 N ATOM 236 CA LEU A 15 285.514 133.794 396.148 1.00 0.00 C ATOM 237 C LEU A 15 286.220 135.141 396.311 1.00 0.00 C ATOM 238 O LEU A 15 286.721 135.650 395.306 1.00 0.00 O ATOM 239 CB LEU A 15 286.585 132.681 396.022 1.00 0.00 C ATOM 240 CG LEU A 15 286.142 131.326 396.570 1.00 0.00 C ATOM 241 CD1 LEU A 15 285.665 130.373 395.487 1.00 0.00 C ATOM 242 CD2 LEU A 15 287.281 130.672 397.335 1.00 0.00 C ATOM 0 H LEU A 15 285.283 133.848 394.089 1.00 0.00 H new ATOM 0 HA LEU A 15 284.878 133.541 396.996 1.00 0.00 H new ATOM 0 HB2 LEU A 15 286.853 132.566 394.972 1.00 0.00 H new ATOM 0 HB3 LEU A 15 287.486 132.997 396.548 1.00 0.00 H new ATOM 0 HG LEU A 15 285.298 131.524 397.231 1.00 0.00 H new ATOM 0 HD11 LEU A 15 285.364 129.428 395.940 1.00 0.00 H new ATOM 0 HD12 LEU A 15 284.815 130.812 394.965 1.00 0.00 H new ATOM 0 HD13 LEU A 15 286.473 130.194 394.778 1.00 0.00 H new ATOM 0 HD21 LEU A 15 286.953 129.707 397.721 1.00 0.00 H new ATOM 0 HD22 LEU A 15 288.131 130.527 396.668 1.00 0.00 H new ATOM 0 HD23 LEU A 15 287.577 131.313 398.165 1.00 0.00 H new ATOM 254 N PRO A 16 286.350 135.748 397.494 1.00 0.00 N ATOM 255 CA PRO A 16 287.122 136.969 397.691 1.00 0.00 C ATOM 256 C PRO A 16 288.597 136.638 397.954 1.00 0.00 C ATOM 257 O PRO A 16 288.940 135.470 398.112 1.00 0.00 O ATOM 258 CB PRO A 16 286.479 137.503 398.967 1.00 0.00 C ATOM 259 CG PRO A 16 286.275 136.234 399.805 1.00 0.00 C ATOM 260 CD PRO A 16 285.928 135.171 398.765 1.00 0.00 C ATOM 0 HA PRO A 16 287.112 137.653 396.842 1.00 0.00 H new ATOM 0 HB2 PRO A 16 287.123 138.222 399.473 1.00 0.00 H new ATOM 0 HB3 PRO A 16 285.535 138.008 398.763 1.00 0.00 H new ATOM 0 HG2 PRO A 16 287.175 135.972 400.362 1.00 0.00 H new ATOM 0 HG3 PRO A 16 285.474 136.359 400.534 1.00 0.00 H new ATOM 0 HD2 PRO A 16 286.448 134.234 398.967 1.00 0.00 H new ATOM 0 HD3 PRO A 16 284.861 134.950 398.765 1.00 0.00 H new ATOM 268 N GLU A 17 289.463 137.671 398.050 1.00 0.00 N ATOM 269 CA GLU A 17 290.897 137.579 398.270 1.00 0.00 C ATOM 270 C GLU A 17 291.380 137.204 399.691 1.00 0.00 C ATOM 271 O GLU A 17 290.655 137.227 400.690 1.00 0.00 O ATOM 272 CB GLU A 17 291.533 138.930 397.860 1.00 0.00 C ATOM 273 CG GLU A 17 290.998 139.487 396.526 1.00 0.00 C ATOM 274 CD GLU A 17 291.933 140.578 396.003 1.00 0.00 C ATOM 275 OE1 GLU A 17 291.496 141.759 395.948 1.00 0.00 O ATOM 276 OE2 GLU A 17 293.095 140.243 395.649 1.00 0.00 O1- ATOM 0 H GLU A 17 289.149 138.638 397.970 1.00 0.00 H new ATOM 0 HA GLU A 17 291.218 136.735 397.659 1.00 0.00 H new ATOM 0 HB2 GLU A 17 291.351 139.661 398.648 1.00 0.00 H new ATOM 0 HB3 GLU A 17 292.613 138.805 397.784 1.00 0.00 H new ATOM 0 HG2 GLU A 17 290.917 138.684 395.793 1.00 0.00 H new ATOM 0 HG3 GLU A 17 289.996 139.892 396.667 1.00 0.00 H new ATOM 283 N SER A 18 292.693 136.879 399.800 1.00 0.00 N ATOM 284 CA SER A 18 293.433 136.420 400.976 1.00 0.00 C ATOM 285 C SER A 18 293.553 137.302 402.215 1.00 0.00 C ATOM 286 O SER A 18 293.734 136.758 403.303 1.00 0.00 O ATOM 287 CB SER A 18 294.783 135.780 400.601 1.00 0.00 C ATOM 288 OG SER A 18 295.476 136.581 399.637 1.00 0.00 O ATOM 0 H SER A 18 293.305 136.941 398.987 1.00 0.00 H new ATOM 0 HA SER A 18 292.729 135.674 401.344 1.00 0.00 H new ATOM 0 HB2 SER A 18 295.397 135.666 401.494 1.00 0.00 H new ATOM 0 HB3 SER A 18 294.617 134.781 400.198 1.00 0.00 H new ATOM 0 HG SER A 18 296.331 136.158 399.414 1.00 0.00 H new ATOM 294 N HIS A 19 293.406 138.669 402.110 1.00 0.00 N ATOM 295 CA HIS A 19 293.332 139.645 403.217 1.00 0.00 C ATOM 296 C HIS A 19 292.170 139.328 404.167 1.00 0.00 C ATOM 297 O HIS A 19 292.332 139.242 405.377 1.00 0.00 O ATOM 298 CB HIS A 19 293.266 141.135 402.730 1.00 0.00 C ATOM 299 CG HIS A 19 292.117 141.513 401.812 1.00 0.00 C ATOM 300 ND1 HIS A 19 291.421 140.756 400.922 1.00 0.00 N flip ATOM 301 CD2 HIS A 19 291.583 142.782 401.697 1.00 0.00 C flip ATOM 302 CE1 HIS A 19 290.465 141.503 400.274 1.00 0.00 C flip ATOM 303 NE2 HIS A 19 290.590 142.709 400.769 1.00 0.00 N flip ATOM 0 H HIS A 19 293.334 139.123 401.199 1.00 0.00 H new ATOM 0 HA HIS A 19 294.268 139.542 403.767 1.00 0.00 H new ATOM 0 HB2 HIS A 19 293.221 141.777 403.610 1.00 0.00 H new ATOM 0 HB3 HIS A 19 294.199 141.364 402.216 1.00 0.00 H new ATOM 0 HD2 HIS A 19 291.894 143.663 402.239 1.00 0.00 H new ATOM 0 HE1 HIS A 19 289.765 141.169 399.522 1.00 0.00 H new ATOM 0 HE2 HIS A 19 290.011 143.501 400.491 1.00 0.00 H new ATOM 311 N ILE A 20 290.978 139.047 403.574 1.00 0.00 N ATOM 312 CA ILE A 20 289.827 138.421 404.225 1.00 0.00 C ATOM 313 C ILE A 20 289.922 136.911 404.386 1.00 0.00 C ATOM 314 O ILE A 20 289.620 136.395 405.463 1.00 0.00 O ATOM 315 CB ILE A 20 288.438 138.851 403.695 1.00 0.00 C ATOM 316 CG1 ILE A 20 287.587 137.750 403.009 1.00 0.00 C ATOM 317 CG2 ILE A 20 288.602 140.042 402.727 1.00 0.00 C ATOM 318 CD1 ILE A 20 286.301 138.296 402.417 1.00 0.00 C ATOM 0 H ILE A 20 290.801 139.264 402.593 1.00 0.00 H new ATOM 0 HA ILE A 20 289.898 138.843 405.228 1.00 0.00 H new ATOM 0 HB ILE A 20 287.877 139.117 404.591 1.00 0.00 H new ATOM 0 HG12 ILE A 20 288.175 137.279 402.221 1.00 0.00 H new ATOM 0 HG13 ILE A 20 287.348 136.974 403.736 1.00 0.00 H new ATOM 0 HG21 ILE A 20 287.624 140.345 402.354 1.00 0.00 H new ATOM 0 HG22 ILE A 20 289.064 140.877 403.253 1.00 0.00 H new ATOM 0 HG23 ILE A 20 289.234 139.746 401.890 1.00 0.00 H new ATOM 0 HD11 ILE A 20 285.743 137.485 401.949 1.00 0.00 H new ATOM 0 HD12 ILE A 20 285.698 138.743 403.207 1.00 0.00 H new ATOM 0 HD13 ILE A 20 286.537 139.053 401.669 1.00 0.00 H new ATOM 330 N PHE A 21 290.270 136.132 403.295 1.00 0.00 N ATOM 331 CA PHE A 21 290.135 134.672 403.259 1.00 0.00 C ATOM 332 C PHE A 21 291.066 133.978 404.290 1.00 0.00 C ATOM 333 O PHE A 21 290.594 133.204 405.119 1.00 0.00 O ATOM 334 CB PHE A 21 290.167 134.117 401.772 1.00 0.00 C ATOM 335 CG PHE A 21 289.714 132.672 401.495 1.00 0.00 C ATOM 336 CD1 PHE A 21 289.667 132.213 400.179 1.00 0.00 C ATOM 337 CD2 PHE A 21 289.454 131.725 402.471 1.00 0.00 C ATOM 338 CE1 PHE A 21 289.544 130.855 399.894 1.00 0.00 C ATOM 339 CE2 PHE A 21 289.374 130.383 402.186 1.00 0.00 C ATOM 340 CZ PHE A 21 289.427 129.921 400.904 1.00 0.00 C ATOM 0 H PHE A 21 290.648 136.525 402.433 1.00 0.00 H new ATOM 0 HA PHE A 21 289.140 134.394 403.606 1.00 0.00 H new ATOM 0 HB2 PHE A 21 289.548 134.776 401.163 1.00 0.00 H new ATOM 0 HB3 PHE A 21 291.190 134.215 401.408 1.00 0.00 H new ATOM 0 HD1 PHE A 21 289.727 132.922 399.367 1.00 0.00 H new ATOM 0 HD2 PHE A 21 289.309 132.052 403.490 1.00 0.00 H new ATOM 0 HE1 PHE A 21 289.540 130.527 398.865 1.00 0.00 H new ATOM 0 HE2 PHE A 21 289.267 129.677 402.997 1.00 0.00 H new ATOM 0 HZ PHE A 21 289.379 128.864 400.687 1.00 0.00 H new ATOM 350 N PHE A 22 292.392 134.310 404.319 1.00 0.00 N ATOM 351 CA PHE A 22 293.365 133.823 405.311 1.00 0.00 C ATOM 352 C PHE A 22 293.237 134.520 406.706 1.00 0.00 C ATOM 353 O PHE A 22 293.864 134.054 407.657 1.00 0.00 O ATOM 354 CB PHE A 22 294.871 133.827 404.785 1.00 0.00 C ATOM 355 CG PHE A 22 295.362 132.570 404.027 1.00 0.00 C ATOM 356 CD1 PHE A 22 296.148 132.673 402.878 1.00 0.00 C ATOM 357 CD2 PHE A 22 295.152 131.273 404.483 1.00 0.00 C ATOM 358 CE1 PHE A 22 296.555 131.552 402.158 1.00 0.00 C ATOM 359 CE2 PHE A 22 295.555 130.159 403.783 1.00 0.00 C ATOM 360 CZ PHE A 22 296.175 130.287 402.572 1.00 0.00 C ATOM 0 H PHE A 22 292.809 134.938 403.632 1.00 0.00 H new ATOM 0 HA PHE A 22 293.095 132.778 405.461 1.00 0.00 H new ATOM 0 HB2 PHE A 22 294.996 134.687 404.128 1.00 0.00 H new ATOM 0 HB3 PHE A 22 295.527 133.982 405.642 1.00 0.00 H new ATOM 0 HD1 PHE A 22 296.450 133.652 402.537 1.00 0.00 H new ATOM 0 HD2 PHE A 22 294.650 131.134 405.429 1.00 0.00 H new ATOM 0 HE1 PHE A 22 297.167 131.670 401.276 1.00 0.00 H new ATOM 0 HE2 PHE A 22 295.380 129.176 404.194 1.00 0.00 H new ATOM 0 HZ PHE A 22 296.364 129.422 401.953 1.00 0.00 H new ATOM 370 N ALA A 23 292.488 135.667 406.898 1.00 0.00 N ATOM 371 CA ALA A 23 292.329 136.303 408.221 1.00 0.00 C ATOM 372 C ALA A 23 290.938 136.353 408.902 1.00 0.00 C ATOM 373 O ALA A 23 290.867 136.515 410.117 1.00 0.00 O ATOM 374 CB ALA A 23 292.903 137.737 408.176 1.00 0.00 C ATOM 0 H ALA A 23 291.997 136.150 406.145 1.00 0.00 H new ATOM 0 HA ALA A 23 292.878 135.609 408.858 1.00 0.00 H new ATOM 0 HB1 ALA A 23 292.786 138.207 409.153 1.00 0.00 H new ATOM 0 HB2 ALA A 23 293.961 137.697 407.917 1.00 0.00 H new ATOM 0 HB3 ALA A 23 292.368 138.320 407.426 1.00 0.00 H new ATOM 380 N THR A 24 289.791 136.243 408.172 1.00 0.00 N ATOM 381 CA THR A 24 288.435 136.451 408.730 1.00 0.00 C ATOM 382 C THR A 24 287.701 135.130 408.884 1.00 0.00 C ATOM 383 O THR A 24 287.676 134.321 407.959 1.00 0.00 O ATOM 384 CB THR A 24 287.589 137.397 407.850 1.00 0.00 C ATOM 385 OG1 THR A 24 288.278 138.622 407.634 1.00 0.00 O ATOM 386 CG2 THR A 24 286.238 137.797 408.485 1.00 0.00 C ATOM 0 H THR A 24 289.788 136.007 407.180 1.00 0.00 H new ATOM 0 HA THR A 24 288.569 136.911 409.709 1.00 0.00 H new ATOM 0 HB THR A 24 287.414 136.835 406.933 1.00 0.00 H new ATOM 0 HG1 THR A 24 287.731 139.211 407.073 1.00 0.00 H new ATOM 0 HG21 THR A 24 285.701 138.462 407.809 1.00 0.00 H new ATOM 0 HG22 THR A 24 285.641 136.903 408.665 1.00 0.00 H new ATOM 0 HG23 THR A 24 286.418 138.309 409.430 1.00 0.00 H new ATOM 394 N VAL A 25 287.014 134.875 410.053 1.00 0.00 N ATOM 395 CA VAL A 25 286.235 133.660 410.449 1.00 0.00 C ATOM 396 C VAL A 25 285.188 133.211 409.449 1.00 0.00 C ATOM 397 O VAL A 25 284.945 132.021 409.274 1.00 0.00 O ATOM 398 CB VAL A 25 285.456 133.715 411.794 1.00 0.00 C ATOM 399 CG1 VAL A 25 285.323 132.298 412.408 1.00 0.00 C ATOM 400 CG2 VAL A 25 286.138 134.653 412.809 1.00 0.00 C ATOM 0 H VAL A 25 286.995 135.574 410.795 1.00 0.00 H new ATOM 0 HA VAL A 25 287.075 132.970 410.524 1.00 0.00 H new ATOM 0 HB VAL A 25 284.464 134.109 411.574 1.00 0.00 H new ATOM 0 HG11 VAL A 25 284.775 132.359 413.348 1.00 0.00 H new ATOM 0 HG12 VAL A 25 284.785 131.650 411.716 1.00 0.00 H new ATOM 0 HG13 VAL A 25 286.315 131.887 412.592 1.00 0.00 H new ATOM 0 HG21 VAL A 25 285.564 134.665 413.736 1.00 0.00 H new ATOM 0 HG22 VAL A 25 287.148 134.297 413.012 1.00 0.00 H new ATOM 0 HG23 VAL A 25 286.185 135.662 412.398 1.00 0.00 H new ATOM 410 N ALA A 26 284.618 134.219 408.717 1.00 0.00 N ATOM 411 CA ALA A 26 283.658 134.216 407.621 1.00 0.00 C ATOM 412 C ALA A 26 284.050 133.231 406.524 1.00 0.00 C ATOM 413 O ALA A 26 283.220 132.522 405.964 1.00 0.00 O ATOM 414 CB ALA A 26 283.621 135.659 407.056 1.00 0.00 C ATOM 0 H ALA A 26 284.876 135.181 408.935 1.00 0.00 H new ATOM 0 HA ALA A 26 282.680 133.901 407.984 1.00 0.00 H new ATOM 0 HB1 ALA A 26 282.913 135.708 406.229 1.00 0.00 H new ATOM 0 HB2 ALA A 26 283.311 136.349 407.841 1.00 0.00 H new ATOM 0 HB3 ALA A 26 284.613 135.936 406.701 1.00 0.00 H new ATOM 420 N ALA A 27 285.379 133.113 406.304 1.00 0.00 N ATOM 421 CA ALA A 27 285.974 132.069 405.516 1.00 0.00 C ATOM 422 C ALA A 27 286.765 131.064 406.390 1.00 0.00 C ATOM 423 O ALA A 27 286.682 129.854 406.199 1.00 0.00 O ATOM 424 CB ALA A 27 286.827 132.795 404.465 1.00 0.00 C ATOM 0 H ALA A 27 286.061 133.767 406.688 1.00 0.00 H new ATOM 0 HA ALA A 27 285.230 131.441 405.027 1.00 0.00 H new ATOM 0 HB1 ALA A 27 287.315 132.062 403.823 1.00 0.00 H new ATOM 0 HB2 ALA A 27 286.189 133.439 403.860 1.00 0.00 H new ATOM 0 HB3 ALA A 27 287.583 133.400 404.965 1.00 0.00 H new ATOM 430 N HIS A 28 287.521 131.513 407.442 1.00 0.00 N ATOM 431 CA HIS A 28 288.407 130.692 408.305 1.00 0.00 C ATOM 432 C HIS A 28 287.836 129.503 409.094 1.00 0.00 C ATOM 433 O HIS A 28 288.579 128.617 409.505 1.00 0.00 O ATOM 434 CB HIS A 28 289.213 131.570 409.305 1.00 0.00 C ATOM 435 CG HIS A 28 290.695 131.451 409.085 1.00 0.00 C ATOM 436 ND1 HIS A 28 291.454 130.353 408.816 1.00 0.00 N flip ATOM 437 CD2 HIS A 28 291.587 132.483 409.262 1.00 0.00 C flip ATOM 438 CE1 HIS A 28 292.795 130.678 408.849 1.00 0.00 C flip ATOM 439 NE2 HIS A 28 292.829 131.964 409.117 1.00 0.00 N flip ATOM 0 H HIS A 28 287.523 132.496 407.715 1.00 0.00 H new ATOM 0 HA HIS A 28 289.015 130.228 407.529 1.00 0.00 H new ATOM 0 HB2 HIS A 28 288.912 132.612 409.197 1.00 0.00 H new ATOM 0 HB3 HIS A 28 288.972 131.272 410.326 1.00 0.00 H new ATOM 0 HD2 HIS A 28 291.343 133.513 409.476 1.00 0.00 H new ATOM 0 HE1 HIS A 28 293.635 130.018 408.689 1.00 0.00 H new ATOM 0 HE2 HIS A 28 293.688 132.506 409.205 1.00 0.00 H new ATOM 447 N LYS A 29 286.494 129.452 409.308 1.00 0.00 N ATOM 448 CA LYS A 29 285.730 128.399 409.990 1.00 0.00 C ATOM 449 C LYS A 29 285.651 127.076 409.223 1.00 0.00 C ATOM 450 O LYS A 29 285.338 126.024 409.767 1.00 0.00 O ATOM 451 CB LYS A 29 284.275 128.902 410.265 1.00 0.00 C ATOM 452 CG LYS A 29 283.446 129.203 408.989 1.00 0.00 C ATOM 453 CD LYS A 29 282.164 130.058 409.124 1.00 0.00 C ATOM 454 CE LYS A 29 281.989 130.998 410.333 1.00 0.00 C ATOM 455 NZ LYS A 29 281.689 130.263 411.586 1.00 0.00 N1+ ATOM 0 H LYS A 29 285.885 130.203 408.982 1.00 0.00 H new ATOM 0 HA LYS A 29 286.271 128.195 410.914 1.00 0.00 H new ATOM 0 HB2 LYS A 29 283.750 128.151 410.855 1.00 0.00 H new ATOM 0 HB3 LYS A 29 284.325 129.806 410.872 1.00 0.00 H new ATOM 0 HG2 LYS A 29 284.103 129.702 408.277 1.00 0.00 H new ATOM 0 HG3 LYS A 29 283.162 128.249 408.546 1.00 0.00 H new ATOM 0 HD2 LYS A 29 282.085 130.669 408.224 1.00 0.00 H new ATOM 0 HD3 LYS A 29 281.316 129.373 409.120 1.00 0.00 H new ATOM 0 HE2 LYS A 29 282.898 131.584 410.468 1.00 0.00 H new ATOM 0 HE3 LYS A 29 281.183 131.703 410.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 281.051 130.832 412.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 281.233 129.357 411.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 282.573 130.084 412.104 1.00 0.00 H new ATOM 469 N TYR A 30 285.930 127.155 407.906 1.00 0.00 N ATOM 470 CA TYR A 30 285.882 126.122 406.887 1.00 0.00 C ATOM 471 C TYR A 30 287.274 125.575 406.586 1.00 0.00 C ATOM 472 O TYR A 30 287.695 124.522 407.056 1.00 0.00 O ATOM 473 CB TYR A 30 285.312 126.820 405.623 1.00 0.00 C ATOM 474 CG TYR A 30 283.840 126.704 405.481 1.00 0.00 C ATOM 475 CD1 TYR A 30 282.983 127.750 405.770 1.00 0.00 C ATOM 476 CD2 TYR A 30 283.347 125.578 404.866 1.00 0.00 C ATOM 477 CE1 TYR A 30 281.617 127.542 405.721 1.00 0.00 C ATOM 478 CE2 TYR A 30 281.997 125.419 404.676 1.00 0.00 C ATOM 479 CZ TYR A 30 281.137 126.346 405.226 1.00 0.00 C ATOM 480 OH TYR A 30 279.773 126.023 405.265 1.00 0.00 O ATOM 0 H TYR A 30 286.224 128.044 407.502 1.00 0.00 H new ATOM 0 HA TYR A 30 285.274 125.278 407.213 1.00 0.00 H new ATOM 0 HB2 TYR A 30 285.582 127.876 405.651 1.00 0.00 H new ATOM 0 HB3 TYR A 30 285.787 126.393 404.740 1.00 0.00 H new ATOM 0 HD1 TYR A 30 283.377 128.721 406.032 1.00 0.00 H new ATOM 0 HD2 TYR A 30 284.028 124.811 404.529 1.00 0.00 H new ATOM 0 HE1 TYR A 30 280.935 128.305 406.065 1.00 0.00 H new ATOM 0 HE2 TYR A 30 281.616 124.584 404.107 1.00 0.00 H new ATOM 0 HH TYR A 30 279.635 125.138 404.867 1.00 0.00 H new ATOM 490 N VAL A 31 288.032 126.327 405.752 1.00 0.00 N ATOM 491 CA VAL A 31 289.405 126.088 405.336 1.00 0.00 C ATOM 492 C VAL A 31 289.949 127.468 405.257 1.00 0.00 C ATOM 493 O VAL A 31 289.169 128.397 405.077 1.00 0.00 O ATOM 494 CB VAL A 31 289.675 125.413 403.965 1.00 0.00 C ATOM 495 CG1 VAL A 31 288.616 124.335 403.686 1.00 0.00 C ATOM 496 CG2 VAL A 31 290.120 126.292 402.741 1.00 0.00 C ATOM 0 H VAL A 31 287.657 127.176 405.330 1.00 0.00 H new ATOM 0 HA VAL A 31 289.841 125.377 406.038 1.00 0.00 H new ATOM 0 HB VAL A 31 290.641 124.925 404.093 1.00 0.00 H new ATOM 0 HG11 VAL A 31 288.817 123.869 402.721 1.00 0.00 H new ATOM 0 HG12 VAL A 31 288.652 123.578 404.469 1.00 0.00 H new ATOM 0 HG13 VAL A 31 287.627 124.792 403.669 1.00 0.00 H new ATOM 0 HG21 VAL A 31 290.263 125.655 401.868 1.00 0.00 H new ATOM 0 HG22 VAL A 31 289.350 127.033 402.526 1.00 0.00 H new ATOM 0 HG23 VAL A 31 291.056 126.799 402.978 1.00 0.00 H new ATOM 506 N PRO A 32 291.239 127.689 405.360 1.00 0.00 N ATOM 507 CA PRO A 32 291.745 129.039 405.329 1.00 0.00 C ATOM 508 C PRO A 32 292.088 129.718 403.988 1.00 0.00 C ATOM 509 O PRO A 32 291.860 130.912 403.957 1.00 0.00 O ATOM 510 CB PRO A 32 292.999 128.799 406.188 1.00 0.00 C ATOM 511 CG PRO A 32 293.527 127.404 405.876 1.00 0.00 C ATOM 512 CD PRO A 32 292.212 126.669 405.771 1.00 0.00 C ATOM 0 HA PRO A 32 290.989 129.757 405.648 1.00 0.00 H new ATOM 0 HB2 PRO A 32 293.758 129.551 405.971 1.00 0.00 H new ATOM 0 HB3 PRO A 32 292.757 128.886 407.247 1.00 0.00 H new ATOM 0 HG2 PRO A 32 294.103 127.369 404.951 1.00 0.00 H new ATOM 0 HG3 PRO A 32 294.167 127.010 406.665 1.00 0.00 H new ATOM 0 HD2 PRO A 32 292.269 125.861 405.042 1.00 0.00 H new ATOM 0 HD3 PRO A 32 291.934 126.219 406.724 1.00 0.00 H new ATOM 520 N SER A 33 292.656 129.075 402.929 1.00 0.00 N ATOM 521 CA SER A 33 293.058 129.701 401.644 1.00 0.00 C ATOM 522 C SER A 33 293.684 128.753 400.631 1.00 0.00 C ATOM 523 O SER A 33 293.739 127.533 400.843 1.00 0.00 O ATOM 524 CB SER A 33 293.322 131.243 401.411 1.00 0.00 C ATOM 525 OG SER A 33 292.545 131.790 400.345 1.00 0.00 O ATOM 0 H SER A 33 292.851 128.074 402.951 1.00 0.00 H new ATOM 0 HA SER A 33 292.009 129.938 401.465 1.00 0.00 H new ATOM 0 HB2 SER A 33 293.101 131.786 402.330 1.00 0.00 H new ATOM 0 HB3 SER A 33 294.380 131.396 401.197 1.00 0.00 H new ATOM 0 HG SER A 33 291.687 132.108 400.696 1.00 0.00 H new ATOM 531 N TYR A 34 294.173 129.304 399.462 1.00 0.00 N ATOM 532 CA TYR A 34 294.801 128.662 398.279 1.00 0.00 C ATOM 533 C TYR A 34 295.840 127.546 398.582 1.00 0.00 C ATOM 534 O TYR A 34 295.921 126.532 397.891 1.00 0.00 O ATOM 535 CB TYR A 34 295.621 129.729 397.474 1.00 0.00 C ATOM 536 CG TYR A 34 294.874 131.002 397.163 1.00 0.00 C ATOM 537 CD1 TYR A 34 293.915 131.059 396.166 1.00 0.00 C ATOM 538 CD2 TYR A 34 295.221 132.166 397.818 1.00 0.00 C ATOM 539 CE1 TYR A 34 293.326 132.260 395.774 1.00 0.00 C ATOM 540 CE2 TYR A 34 294.591 133.347 397.502 1.00 0.00 C ATOM 541 CZ TYR A 34 293.641 133.387 396.514 1.00 0.00 C ATOM 542 OH TYR A 34 293.018 134.625 396.305 1.00 0.00 O ATOM 0 H TYR A 34 294.124 130.314 399.328 1.00 0.00 H new ATOM 0 HA TYR A 34 293.953 128.226 397.751 1.00 0.00 H new ATOM 0 HB2 TYR A 34 296.517 129.980 398.041 1.00 0.00 H new ATOM 0 HB3 TYR A 34 295.951 129.281 396.537 1.00 0.00 H new ATOM 0 HD1 TYR A 34 293.614 130.144 395.677 1.00 0.00 H new ATOM 0 HD2 TYR A 34 295.987 132.150 398.579 1.00 0.00 H new ATOM 0 HE1 TYR A 34 292.654 132.309 394.930 1.00 0.00 H new ATOM 0 HE2 TYR A 34 294.847 134.250 398.036 1.00 0.00 H new ATOM 0 HH TYR A 34 293.561 135.166 395.694 1.00 0.00 H new ATOM 552 N ALA A 35 296.575 127.689 399.719 1.00 0.00 N ATOM 553 CA ALA A 35 297.518 126.769 400.346 1.00 0.00 C ATOM 554 C ALA A 35 296.931 125.467 400.837 1.00 0.00 C ATOM 555 O ALA A 35 297.488 124.393 400.635 1.00 0.00 O ATOM 556 CB ALA A 35 298.094 127.472 401.611 1.00 0.00 C ATOM 0 H ALA A 35 296.501 128.549 400.263 1.00 0.00 H new ATOM 0 HA ALA A 35 298.246 126.528 399.571 1.00 0.00 H new ATOM 0 HB1 ALA A 35 298.804 126.809 402.104 1.00 0.00 H new ATOM 0 HB2 ALA A 35 298.600 128.392 401.318 1.00 0.00 H new ATOM 0 HB3 ALA A 35 297.281 127.708 402.298 1.00 0.00 H new ATOM 562 N PHE A 36 295.718 125.569 401.451 1.00 0.00 N ATOM 563 CA PHE A 36 294.864 124.486 401.891 1.00 0.00 C ATOM 564 C PHE A 36 294.224 123.893 400.636 1.00 0.00 C ATOM 565 O PHE A 36 294.236 122.678 400.449 1.00 0.00 O ATOM 566 CB PHE A 36 293.809 124.980 402.944 1.00 0.00 C ATOM 567 CG PHE A 36 292.945 123.818 403.457 1.00 0.00 C ATOM 568 CD1 PHE A 36 291.878 123.324 402.708 1.00 0.00 C ATOM 569 CD2 PHE A 36 293.214 123.195 404.663 1.00 0.00 C ATOM 570 CE1 PHE A 36 291.101 122.273 403.145 1.00 0.00 C ATOM 571 CE2 PHE A 36 292.432 122.144 405.112 1.00 0.00 C ATOM 572 CZ PHE A 36 291.369 121.686 404.358 1.00 0.00 C ATOM 0 H PHE A 36 295.306 126.480 401.653 1.00 0.00 H new ATOM 0 HA PHE A 36 295.435 123.716 402.410 1.00 0.00 H new ATOM 0 HB2 PHE A 36 294.322 125.452 403.782 1.00 0.00 H new ATOM 0 HB3 PHE A 36 293.170 125.739 402.493 1.00 0.00 H new ATOM 0 HD1 PHE A 36 291.653 123.779 401.755 1.00 0.00 H new ATOM 0 HD2 PHE A 36 294.046 123.533 405.263 1.00 0.00 H new ATOM 0 HE1 PHE A 36 290.285 121.912 402.537 1.00 0.00 H new ATOM 0 HE2 PHE A 36 292.655 121.678 406.060 1.00 0.00 H new ATOM 0 HZ PHE A 36 290.755 120.874 404.719 1.00 0.00 H new ATOM 582 N LEU A 37 293.688 124.768 399.716 1.00 0.00 N ATOM 583 CA LEU A 37 293.065 124.283 398.458 1.00 0.00 C ATOM 584 C LEU A 37 293.950 123.486 397.487 1.00 0.00 C ATOM 585 O LEU A 37 293.463 122.529 396.882 1.00 0.00 O ATOM 586 CB LEU A 37 292.134 125.252 397.662 1.00 0.00 C ATOM 587 CG LEU A 37 291.933 126.640 398.277 1.00 0.00 C ATOM 588 CD1 LEU A 37 291.297 127.640 397.326 1.00 0.00 C ATOM 589 CD2 LEU A 37 291.110 126.715 399.549 1.00 0.00 C ATOM 0 H LEU A 37 293.680 125.782 399.829 1.00 0.00 H new ATOM 0 HA LEU A 37 292.401 123.571 398.948 1.00 0.00 H new ATOM 0 HB2 LEU A 37 292.543 125.376 396.659 1.00 0.00 H new ATOM 0 HB3 LEU A 37 291.158 124.779 397.552 1.00 0.00 H new ATOM 0 HG LEU A 37 292.968 126.888 398.513 1.00 0.00 H new ATOM 0 HD11 LEU A 37 291.185 128.600 397.829 1.00 0.00 H new ATOM 0 HD12 LEU A 37 291.932 127.762 396.448 1.00 0.00 H new ATOM 0 HD13 LEU A 37 290.317 127.276 397.017 1.00 0.00 H new ATOM 0 HD21 LEU A 37 291.044 127.752 399.879 1.00 0.00 H new ATOM 0 HD22 LEU A 37 290.108 126.331 399.357 1.00 0.00 H new ATOM 0 HD23 LEU A 37 291.585 126.116 400.326 1.00 0.00 H new ATOM 601 N ARG A 38 295.285 123.801 397.357 1.00 0.00 N ATOM 602 CA ARG A 38 296.181 122.989 396.517 1.00 0.00 C ATOM 603 C ARG A 38 296.469 121.583 397.061 1.00 0.00 C ATOM 604 O ARG A 38 296.429 120.607 396.319 1.00 0.00 O ATOM 605 CB ARG A 38 297.497 123.731 396.198 1.00 0.00 C ATOM 606 CG ARG A 38 298.355 123.024 395.128 1.00 0.00 C ATOM 607 CD ARG A 38 299.306 123.966 394.384 1.00 0.00 C ATOM 608 NE ARG A 38 300.332 124.481 395.354 1.00 0.00 N ATOM 609 CZ ARG A 38 301.433 125.200 394.969 1.00 0.00 C ATOM 610 NH1 ARG A 38 301.644 125.507 393.656 1.00 0.00 N1+ ATOM 611 NH2 ARG A 38 302.326 125.616 395.914 1.00 0.00 N ATOM 0 H ARG A 38 295.735 124.592 397.817 1.00 0.00 H new ATOM 0 HA ARG A 38 295.625 122.840 395.591 1.00 0.00 H new ATOM 0 HB2 ARG A 38 297.263 124.740 395.857 1.00 0.00 H new ATOM 0 HB3 ARG A 38 298.080 123.831 397.113 1.00 0.00 H new ATOM 0 HG2 ARG A 38 298.937 122.235 395.604 1.00 0.00 H new ATOM 0 HG3 ARG A 38 297.696 122.542 394.406 1.00 0.00 H new ATOM 0 HD2 ARG A 38 299.793 123.440 393.563 1.00 0.00 H new ATOM 0 HD3 ARG A 38 298.750 124.795 393.946 1.00 0.00 H new ATOM 0 HE ARG A 38 300.202 124.286 396.347 1.00 0.00 H new ATOM 0 HH11 ARG A 38 300.978 125.201 392.947 1.00 0.00 H new ATOM 0 HH12 ARG A 38 302.468 126.043 393.384 1.00 0.00 H new ATOM 0 HH21 ARG A 38 302.171 125.391 396.897 1.00 0.00 H new ATOM 0 HH22 ARG A 38 303.149 126.152 395.637 1.00 0.00 H new ATOM 625 N ARG A 39 296.681 121.446 398.399 1.00 0.00 N ATOM 626 CA ARG A 39 296.808 120.175 399.126 1.00 0.00 C ATOM 627 C ARG A 39 295.485 119.387 399.200 1.00 0.00 C ATOM 628 O ARG A 39 295.471 118.157 399.142 1.00 0.00 O ATOM 629 CB ARG A 39 297.492 120.333 400.517 1.00 0.00 C ATOM 630 CG ARG A 39 299.031 120.504 400.445 1.00 0.00 C ATOM 631 CD ARG A 39 299.508 121.858 399.889 1.00 0.00 C ATOM 632 NE ARG A 39 301.009 121.874 399.812 1.00 0.00 N ATOM 633 CZ ARG A 39 301.705 122.916 399.259 1.00 0.00 C ATOM 634 NH1 ARG A 39 301.052 124.011 398.770 1.00 0.00 N1+ ATOM 635 NH2 ARG A 39 303.067 122.858 399.194 1.00 0.00 N ATOM 0 H ARG A 39 296.770 122.255 399.014 1.00 0.00 H new ATOM 0 HA ARG A 39 297.485 119.565 398.528 1.00 0.00 H new ATOM 0 HB2 ARG A 39 297.064 121.197 401.025 1.00 0.00 H new ATOM 0 HB3 ARG A 39 297.262 119.459 401.126 1.00 0.00 H new ATOM 0 HG2 ARG A 39 299.444 120.373 401.445 1.00 0.00 H new ATOM 0 HG3 ARG A 39 299.442 119.708 399.824 1.00 0.00 H new ATOM 0 HD2 ARG A 39 299.082 122.026 398.900 1.00 0.00 H new ATOM 0 HD3 ARG A 39 299.158 122.668 400.529 1.00 0.00 H new ATOM 0 HE ARG A 39 301.528 121.080 400.185 1.00 0.00 H new ATOM 0 HH11 ARG A 39 300.034 124.060 398.814 1.00 0.00 H new ATOM 0 HH12 ARG A 39 301.582 124.780 398.361 1.00 0.00 H new ATOM 0 HH21 ARG A 39 303.561 122.042 399.556 1.00 0.00 H new ATOM 0 HH22 ARG A 39 303.591 123.631 398.783 1.00 0.00 H new ATOM 649 N GLU A 40 294.330 120.111 399.301 1.00 0.00 N ATOM 650 CA GLU A 40 292.966 119.586 399.298 1.00 0.00 C ATOM 651 C GLU A 40 292.475 119.082 397.935 1.00 0.00 C ATOM 652 O GLU A 40 291.802 118.053 397.892 1.00 0.00 O ATOM 653 CB GLU A 40 291.961 120.628 399.875 1.00 0.00 C ATOM 654 CG GLU A 40 290.499 120.166 400.076 1.00 0.00 C ATOM 655 CD GLU A 40 290.422 118.963 401.017 1.00 0.00 C ATOM 656 OE1 GLU A 40 290.877 119.089 402.185 1.00 0.00 O ATOM 657 OE2 GLU A 40 289.904 117.901 400.578 1.00 0.00 O1- ATOM 0 H GLU A 40 294.348 121.127 399.390 1.00 0.00 H new ATOM 0 HA GLU A 40 293.006 118.710 399.945 1.00 0.00 H new ATOM 0 HB2 GLU A 40 292.343 120.968 400.838 1.00 0.00 H new ATOM 0 HB3 GLU A 40 291.953 121.493 399.212 1.00 0.00 H new ATOM 0 HG2 GLU A 40 289.908 120.987 400.482 1.00 0.00 H new ATOM 0 HG3 GLU A 40 290.062 119.905 399.112 1.00 0.00 H new ATOM 664 N LEU A 41 292.766 119.754 396.776 1.00 0.00 N ATOM 665 CA LEU A 41 292.236 119.217 395.510 1.00 0.00 C ATOM 666 C LEU A 41 293.162 118.233 394.806 1.00 0.00 C ATOM 667 O LEU A 41 292.788 117.636 393.801 1.00 0.00 O ATOM 668 CB LEU A 41 291.997 120.338 394.457 1.00 0.00 C ATOM 669 CG LEU A 41 290.999 121.446 394.871 1.00 0.00 C ATOM 670 CD1 LEU A 41 290.954 122.532 393.784 1.00 0.00 C ATOM 671 CD2 LEU A 41 289.578 120.901 395.128 1.00 0.00 C ATOM 0 H LEU A 41 293.324 120.605 396.704 1.00 0.00 H new ATOM 0 HA LEU A 41 291.318 118.722 395.825 1.00 0.00 H new ATOM 0 HB2 LEU A 41 292.955 120.805 394.227 1.00 0.00 H new ATOM 0 HB3 LEU A 41 291.638 119.876 393.537 1.00 0.00 H new ATOM 0 HG LEU A 41 291.354 121.868 395.811 1.00 0.00 H new ATOM 0 HD11 LEU A 41 290.251 123.311 394.077 1.00 0.00 H new ATOM 0 HD12 LEU A 41 291.946 122.966 393.662 1.00 0.00 H new ATOM 0 HD13 LEU A 41 290.633 122.090 392.841 1.00 0.00 H new ATOM 0 HD21 LEU A 41 288.920 121.721 395.415 1.00 0.00 H new ATOM 0 HD22 LEU A 41 289.198 120.432 394.220 1.00 0.00 H new ATOM 0 HD23 LEU A 41 289.611 120.164 395.931 1.00 0.00 H new ATOM 683 N GLY A 42 294.427 118.085 395.278 1.00 0.00 N ATOM 684 CA GLY A 42 295.481 117.275 394.660 1.00 0.00 C ATOM 685 C GLY A 42 296.092 117.815 393.372 1.00 0.00 C ATOM 686 O GLY A 42 297.125 117.323 392.930 1.00 0.00 O ATOM 0 H GLY A 42 294.741 118.548 396.131 1.00 0.00 H new ATOM 0 HA2 GLY A 42 296.282 117.145 395.388 1.00 0.00 H new ATOM 0 HA3 GLY A 42 295.073 116.285 394.455 1.00 0.00 H new ATOM 690 N LEU A 43 295.467 118.845 392.731 1.00 0.00 N ATOM 691 CA LEU A 43 295.880 119.464 391.482 1.00 0.00 C ATOM 692 C LEU A 43 296.615 120.761 391.705 1.00 0.00 C ATOM 693 O LEU A 43 296.393 121.459 392.694 1.00 0.00 O ATOM 694 CB LEU A 43 294.733 119.602 390.419 1.00 0.00 C ATOM 695 CG LEU A 43 293.960 120.944 390.232 1.00 0.00 C ATOM 696 CD1 LEU A 43 293.019 120.843 389.017 1.00 0.00 C ATOM 697 CD2 LEU A 43 293.149 121.379 391.458 1.00 0.00 C ATOM 0 H LEU A 43 294.621 119.271 393.109 1.00 0.00 H new ATOM 0 HA LEU A 43 296.587 118.763 391.039 1.00 0.00 H new ATOM 0 HB2 LEU A 43 295.164 119.346 389.451 1.00 0.00 H new ATOM 0 HB3 LEU A 43 293.991 118.837 390.650 1.00 0.00 H new ATOM 0 HG LEU A 43 294.724 121.705 390.077 1.00 0.00 H new ATOM 0 HD11 LEU A 43 292.483 121.784 388.893 1.00 0.00 H new ATOM 0 HD12 LEU A 43 293.603 120.637 388.120 1.00 0.00 H new ATOM 0 HD13 LEU A 43 292.304 120.036 389.177 1.00 0.00 H new ATOM 0 HD21 LEU A 43 292.643 122.320 391.244 1.00 0.00 H new ATOM 0 HD22 LEU A 43 292.409 120.615 391.695 1.00 0.00 H new ATOM 0 HD23 LEU A 43 293.818 121.512 392.308 1.00 0.00 H new ATOM 709 N SER A 44 297.488 121.161 390.745 1.00 0.00 N ATOM 710 CA SER A 44 298.267 122.404 390.758 1.00 0.00 C ATOM 711 C SER A 44 297.449 123.660 390.434 1.00 0.00 C ATOM 712 O SER A 44 297.691 124.353 389.449 1.00 0.00 O ATOM 713 CB SER A 44 299.460 122.340 389.762 1.00 0.00 C ATOM 714 OG SER A 44 300.214 121.149 389.968 1.00 0.00 O ATOM 0 H SER A 44 297.668 120.598 389.914 1.00 0.00 H new ATOM 0 HA SER A 44 298.622 122.487 391.785 1.00 0.00 H new ATOM 0 HB2 SER A 44 299.089 122.371 388.738 1.00 0.00 H new ATOM 0 HB3 SER A 44 300.101 123.212 389.895 1.00 0.00 H new ATOM 0 HG SER A 44 300.960 121.121 389.334 1.00 0.00 H new ATOM 720 N SER A 45 296.426 123.973 391.272 1.00 0.00 N ATOM 721 CA SER A 45 295.518 125.104 391.117 1.00 0.00 C ATOM 722 C SER A 45 296.099 126.492 391.432 1.00 0.00 C ATOM 723 O SER A 45 295.712 127.468 390.792 1.00 0.00 O ATOM 724 CB SER A 45 294.175 124.905 391.895 1.00 0.00 C ATOM 725 OG SER A 45 294.376 124.488 393.257 1.00 0.00 O ATOM 0 H SER A 45 296.217 123.414 392.099 1.00 0.00 H new ATOM 0 HA SER A 45 295.329 125.104 390.043 1.00 0.00 H new ATOM 0 HB2 SER A 45 293.613 125.839 391.885 1.00 0.00 H new ATOM 0 HB3 SER A 45 293.568 124.162 391.378 1.00 0.00 H new ATOM 0 HG SER A 45 294.085 123.558 393.361 1.00 0.00 H new ATOM 731 N ALA A 46 297.024 126.618 392.439 1.00 0.00 N ATOM 732 CA ALA A 46 297.544 127.849 393.058 1.00 0.00 C ATOM 733 C ALA A 46 298.443 128.776 392.235 1.00 0.00 C ATOM 734 O ALA A 46 298.966 129.768 392.742 1.00 0.00 O ATOM 735 CB ALA A 46 298.209 127.543 394.414 1.00 0.00 C ATOM 0 H ALA A 46 297.446 125.789 392.858 1.00 0.00 H new ATOM 0 HA ALA A 46 296.632 128.437 393.165 1.00 0.00 H new ATOM 0 HB1 ALA A 46 298.585 128.468 394.852 1.00 0.00 H new ATOM 0 HB2 ALA A 46 297.476 127.095 395.086 1.00 0.00 H new ATOM 0 HB3 ALA A 46 299.036 126.849 394.265 1.00 0.00 H new ATOM 741 N HIS A 47 298.620 128.448 390.929 1.00 0.00 N ATOM 742 CA HIS A 47 299.316 129.191 389.887 1.00 0.00 C ATOM 743 C HIS A 47 298.655 130.548 389.558 1.00 0.00 C ATOM 744 O HIS A 47 299.325 131.579 389.526 1.00 0.00 O ATOM 745 CB HIS A 47 299.411 128.318 388.595 1.00 0.00 C ATOM 746 CG HIS A 47 300.219 127.041 388.716 1.00 0.00 C ATOM 747 ND1 HIS A 47 301.416 126.931 389.393 1.00 0.00 N ATOM 748 CD2 HIS A 47 300.043 125.838 388.095 1.00 0.00 C ATOM 749 CE1 HIS A 47 301.898 125.684 389.154 1.00 0.00 C ATOM 750 NE2 HIS A 47 301.104 124.982 388.366 1.00 0.00 N ATOM 0 H HIS A 47 298.239 127.576 390.563 1.00 0.00 H new ATOM 0 HA HIS A 47 300.312 129.415 390.270 1.00 0.00 H new ATOM 0 HB2 HIS A 47 298.400 128.057 388.281 1.00 0.00 H new ATOM 0 HB3 HIS A 47 299.845 128.925 387.801 1.00 0.00 H new ATOM 0 HD2 HIS A 47 299.194 125.586 387.477 1.00 0.00 H new ATOM 0 HE1 HIS A 47 302.825 125.309 389.562 1.00 0.00 H new ATOM 0 HE2 HIS A 47 301.239 124.028 388.032 1.00 0.00 H new ATOM 758 N THR A 48 297.311 130.580 389.322 1.00 0.00 N ATOM 759 CA THR A 48 296.557 131.803 389.043 1.00 0.00 C ATOM 760 C THR A 48 295.288 131.806 389.897 1.00 0.00 C ATOM 761 O THR A 48 294.581 130.798 390.055 1.00 0.00 O ATOM 762 CB THR A 48 296.274 132.113 387.543 1.00 0.00 C ATOM 763 OG1 THR A 48 295.323 131.263 386.915 1.00 0.00 O ATOM 764 CG2 THR A 48 297.555 132.002 386.697 1.00 0.00 C ATOM 0 H THR A 48 296.731 129.741 389.324 1.00 0.00 H new ATOM 0 HA THR A 48 297.206 132.633 389.323 1.00 0.00 H new ATOM 0 HB THR A 48 295.872 133.126 387.576 1.00 0.00 H new ATOM 0 HG1 THR A 48 295.210 131.533 385.980 1.00 0.00 H new ATOM 0 HG21 THR A 48 297.323 132.224 385.655 1.00 0.00 H new ATOM 0 HG22 THR A 48 298.296 132.713 387.064 1.00 0.00 H new ATOM 0 HG23 THR A 48 297.954 130.990 386.772 1.00 0.00 H new ATOM 772 N ASN A 49 294.913 133.007 390.454 1.00 0.00 N ATOM 773 CA ASN A 49 293.731 133.260 391.300 1.00 0.00 C ATOM 774 C ASN A 49 292.425 132.908 390.594 1.00 0.00 C ATOM 775 O ASN A 49 291.544 132.285 391.169 1.00 0.00 O ATOM 776 CB ASN A 49 293.705 134.741 391.798 1.00 0.00 C ATOM 777 CG ASN A 49 293.147 134.965 393.214 1.00 0.00 C ATOM 778 OD1 ASN A 49 293.891 135.437 394.079 1.00 0.00 O ATOM 779 ND2 ASN A 49 291.851 134.664 393.491 1.00 0.00 N ATOM 0 H ASN A 49 295.464 133.853 390.308 1.00 0.00 H new ATOM 0 HA ASN A 49 293.817 132.602 392.165 1.00 0.00 H new ATOM 0 HB2 ASN A 49 294.721 135.133 391.763 1.00 0.00 H new ATOM 0 HB3 ASN A 49 293.112 135.329 391.098 1.00 0.00 H new ATOM 0 HD21 ASN A 49 291.478 134.827 394.426 1.00 0.00 H new ATOM 0 HD22 ASN A 49 291.251 134.275 392.764 1.00 0.00 H new ATOM 786 N ARG A 50 292.361 133.230 389.276 1.00 0.00 N ATOM 787 CA ARG A 50 291.283 132.907 388.359 1.00 0.00 C ATOM 788 C ARG A 50 291.191 131.443 387.947 1.00 0.00 C ATOM 789 O ARG A 50 290.080 130.967 387.772 1.00 0.00 O ATOM 790 CB ARG A 50 291.190 133.899 387.177 1.00 0.00 C ATOM 791 CG ARG A 50 290.993 135.360 387.646 1.00 0.00 C ATOM 792 CD ARG A 50 289.771 135.595 388.565 1.00 0.00 C ATOM 793 NE ARG A 50 288.500 135.390 387.772 1.00 0.00 N ATOM 794 CZ ARG A 50 287.567 134.411 388.001 1.00 0.00 C ATOM 795 NH1 ARG A 50 287.726 133.489 388.992 1.00 0.00 N1+ ATOM 796 NH2 ARG A 50 286.451 134.361 387.214 1.00 0.00 N ATOM 0 H ARG A 50 293.110 133.750 388.819 1.00 0.00 H new ATOM 0 HA ARG A 50 290.376 133.048 388.947 1.00 0.00 H new ATOM 0 HB2 ARG A 50 292.098 133.832 386.578 1.00 0.00 H new ATOM 0 HB3 ARG A 50 290.360 133.613 386.531 1.00 0.00 H new ATOM 0 HG2 ARG A 50 291.892 135.680 388.173 1.00 0.00 H new ATOM 0 HG3 ARG A 50 290.895 135.997 386.767 1.00 0.00 H new ATOM 0 HD2 ARG A 50 289.800 134.908 389.410 1.00 0.00 H new ATOM 0 HD3 ARG A 50 289.799 136.605 388.974 1.00 0.00 H new ATOM 0 HE ARG A 50 288.321 136.034 387.002 1.00 0.00 H new ATOM 0 HH11 ARG A 50 288.555 133.516 389.586 1.00 0.00 H new ATOM 0 HH12 ARG A 50 287.016 132.772 389.140 1.00 0.00 H new ATOM 0 HH21 ARG A 50 286.321 135.046 386.469 1.00 0.00 H new ATOM 0 HH22 ARG A 50 285.748 133.639 387.371 1.00 0.00 H new ATOM 810 N LYS A 51 292.314 130.670 387.809 1.00 0.00 N ATOM 811 CA LYS A 51 292.280 129.214 387.592 1.00 0.00 C ATOM 812 C LYS A 51 291.877 128.415 388.837 1.00 0.00 C ATOM 813 O LYS A 51 290.966 127.579 388.775 1.00 0.00 O ATOM 814 CB LYS A 51 293.568 128.670 386.944 1.00 0.00 C ATOM 815 CG LYS A 51 293.463 127.242 386.383 1.00 0.00 C ATOM 816 CD LYS A 51 294.649 126.901 385.467 1.00 0.00 C ATOM 817 CE LYS A 51 294.750 125.407 385.121 1.00 0.00 C ATOM 818 NZ LYS A 51 295.006 124.584 386.328 1.00 0.00 N1+ ATOM 0 H LYS A 51 293.259 131.053 387.847 1.00 0.00 H new ATOM 0 HA LYS A 51 291.480 129.060 386.868 1.00 0.00 H new ATOM 0 HB2 LYS A 51 293.861 129.340 386.136 1.00 0.00 H new ATOM 0 HB3 LYS A 51 294.367 128.695 387.685 1.00 0.00 H new ATOM 0 HG2 LYS A 51 293.423 126.530 387.207 1.00 0.00 H new ATOM 0 HG3 LYS A 51 292.532 127.138 385.826 1.00 0.00 H new ATOM 0 HD2 LYS A 51 294.561 127.474 384.544 1.00 0.00 H new ATOM 0 HD3 LYS A 51 295.573 127.217 385.951 1.00 0.00 H new ATOM 0 HE2 LYS A 51 293.825 125.080 384.646 1.00 0.00 H new ATOM 0 HE3 LYS A 51 295.551 125.253 384.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 295.302 123.629 386.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 295.759 125.024 386.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 294.137 124.521 386.896 1.00 0.00 H new ATOM 832 N VAL A 52 292.466 128.720 390.055 1.00 0.00 N ATOM 833 CA VAL A 52 292.051 128.061 391.323 1.00 0.00 C ATOM 834 C VAL A 52 290.653 128.392 391.727 1.00 0.00 C ATOM 835 O VAL A 52 289.876 127.479 391.993 1.00 0.00 O ATOM 836 CB VAL A 52 292.945 128.193 392.574 1.00 0.00 C ATOM 837 CG1 VAL A 52 293.085 129.626 393.121 1.00 0.00 C ATOM 838 CG2 VAL A 52 292.487 127.211 393.703 1.00 0.00 C ATOM 0 H VAL A 52 293.213 129.406 390.166 1.00 0.00 H new ATOM 0 HA VAL A 52 292.160 127.024 391.006 1.00 0.00 H new ATOM 0 HB VAL A 52 293.943 127.915 392.234 1.00 0.00 H new ATOM 0 HG11 VAL A 52 293.731 129.619 393.999 1.00 0.00 H new ATOM 0 HG12 VAL A 52 293.521 130.267 392.355 1.00 0.00 H new ATOM 0 HG13 VAL A 52 292.102 130.008 393.397 1.00 0.00 H new ATOM 0 HG21 VAL A 52 293.136 127.327 394.571 1.00 0.00 H new ATOM 0 HG22 VAL A 52 291.459 127.436 393.986 1.00 0.00 H new ATOM 0 HG23 VAL A 52 292.547 126.185 393.340 1.00 0.00 H new ATOM 848 N TRP A 53 290.273 129.704 391.658 1.00 0.00 N ATOM 849 CA TRP A 53 288.922 130.184 391.865 1.00 0.00 C ATOM 850 C TRP A 53 287.920 129.630 390.893 1.00 0.00 C ATOM 851 O TRP A 53 286.830 129.359 391.334 1.00 0.00 O ATOM 852 CB TRP A 53 288.765 131.704 391.898 1.00 0.00 C ATOM 853 CG TRP A 53 289.160 132.509 393.079 1.00 0.00 C ATOM 854 CD1 TRP A 53 288.782 133.811 393.203 1.00 0.00 C ATOM 855 CD2 TRP A 53 289.661 132.098 394.358 1.00 0.00 C ATOM 856 NE1 TRP A 53 288.949 134.221 394.486 1.00 0.00 N ATOM 857 CE2 TRP A 53 289.617 133.224 395.169 1.00 0.00 C ATOM 858 CE3 TRP A 53 290.118 130.900 394.832 1.00 0.00 C ATOM 859 CZ2 TRP A 53 290.125 133.193 396.425 1.00 0.00 C ATOM 860 CZ3 TRP A 53 290.593 130.875 396.114 1.00 0.00 C ATOM 861 CH2 TRP A 53 290.616 132.005 396.895 1.00 0.00 C ATOM 0 H TRP A 53 290.933 130.453 391.450 1.00 0.00 H new ATOM 0 HA TRP A 53 288.711 129.802 392.864 1.00 0.00 H new ATOM 0 HB2 TRP A 53 289.324 132.096 391.049 1.00 0.00 H new ATOM 0 HB3 TRP A 53 287.712 131.915 391.711 1.00 0.00 H new ATOM 0 HD1 TRP A 53 288.405 134.426 392.400 1.00 0.00 H new ATOM 0 HE1 TRP A 53 288.636 135.110 394.877 1.00 0.00 H new ATOM 0 HE3 TRP A 53 290.104 130.011 394.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 290.142 134.082 397.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 290.959 129.945 396.522 1.00 0.00 H new ATOM 0 HH2 TRP A 53 291.027 131.955 397.893 1.00 0.00 H new ATOM 872 N LYS A 54 288.283 129.364 389.615 1.00 0.00 N ATOM 873 CA LYS A 54 287.493 128.617 388.614 1.00 0.00 C ATOM 874 C LYS A 54 287.315 127.136 388.925 1.00 0.00 C ATOM 875 O LYS A 54 286.211 126.629 388.790 1.00 0.00 O ATOM 876 CB LYS A 54 288.262 128.696 387.276 1.00 0.00 C ATOM 877 CG LYS A 54 288.266 127.541 386.256 1.00 0.00 C ATOM 878 CD LYS A 54 289.042 127.949 385.000 1.00 0.00 C ATOM 879 CE LYS A 54 289.264 126.784 384.028 1.00 0.00 C ATOM 880 NZ LYS A 54 290.050 127.219 382.850 1.00 0.00 N1+ ATOM 0 H LYS A 54 289.177 129.680 389.239 1.00 0.00 H new ATOM 0 HA LYS A 54 286.501 129.067 388.597 1.00 0.00 H new ATOM 0 HB2 LYS A 54 287.886 129.575 386.751 1.00 0.00 H new ATOM 0 HB3 LYS A 54 289.304 128.895 387.526 1.00 0.00 H new ATOM 0 HG2 LYS A 54 288.719 126.655 386.701 1.00 0.00 H new ATOM 0 HG3 LYS A 54 287.242 127.277 385.990 1.00 0.00 H new ATOM 0 HD2 LYS A 54 288.501 128.744 384.488 1.00 0.00 H new ATOM 0 HD3 LYS A 54 290.008 128.359 385.294 1.00 0.00 H new ATOM 0 HE2 LYS A 54 289.785 125.974 384.538 1.00 0.00 H new ATOM 0 HE3 LYS A 54 288.302 126.389 383.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 290.187 126.413 382.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 289.539 127.976 382.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 290.976 127.574 383.162 1.00 0.00 H new ATOM 894 N LYS A 55 288.373 126.386 389.388 1.00 0.00 N ATOM 895 CA LYS A 55 288.265 124.968 389.830 1.00 0.00 C ATOM 896 C LYS A 55 287.417 124.865 391.107 1.00 0.00 C ATOM 897 O LYS A 55 286.483 124.064 391.264 1.00 0.00 O ATOM 898 CB LYS A 55 289.645 124.288 390.068 1.00 0.00 C ATOM 899 CG LYS A 55 290.578 124.280 388.844 1.00 0.00 C ATOM 900 CD LYS A 55 290.027 123.444 387.686 1.00 0.00 C ATOM 901 CE LYS A 55 291.005 123.358 386.507 1.00 0.00 C ATOM 902 NZ LYS A 55 290.437 122.548 385.404 1.00 0.00 N1+ ATOM 0 H LYS A 55 289.320 126.758 389.461 1.00 0.00 H new ATOM 0 HA LYS A 55 287.781 124.434 389.012 1.00 0.00 H new ATOM 0 HB2 LYS A 55 290.149 124.798 390.889 1.00 0.00 H new ATOM 0 HB3 LYS A 55 289.478 123.259 390.387 1.00 0.00 H new ATOM 0 HG2 LYS A 55 290.734 125.304 388.505 1.00 0.00 H new ATOM 0 HG3 LYS A 55 291.552 123.889 389.138 1.00 0.00 H new ATOM 0 HD2 LYS A 55 289.803 122.439 388.042 1.00 0.00 H new ATOM 0 HD3 LYS A 55 289.087 123.878 387.344 1.00 0.00 H new ATOM 0 HE2 LYS A 55 291.234 124.361 386.146 1.00 0.00 H new ATOM 0 HE3 LYS A 55 291.944 122.917 386.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 291.118 122.505 384.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 290.241 121.585 385.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 289.553 122.984 385.073 1.00 0.00 H new ATOM 916 N PHE A 56 287.672 125.868 391.997 1.00 0.00 N ATOM 917 CA PHE A 56 286.854 126.161 393.190 1.00 0.00 C ATOM 918 C PHE A 56 285.405 126.564 392.869 1.00 0.00 C ATOM 919 O PHE A 56 284.461 126.068 393.476 1.00 0.00 O ATOM 920 CB PHE A 56 287.540 127.190 394.139 1.00 0.00 C ATOM 921 CG PHE A 56 287.979 126.520 395.398 1.00 0.00 C ATOM 922 CD1 PHE A 56 287.593 127.030 396.617 1.00 0.00 C ATOM 923 CD2 PHE A 56 288.693 125.337 395.357 1.00 0.00 C ATOM 924 CE1 PHE A 56 287.878 126.357 397.779 1.00 0.00 C ATOM 925 CE2 PHE A 56 288.942 124.632 396.511 1.00 0.00 C ATOM 926 CZ PHE A 56 288.549 125.152 397.724 1.00 0.00 C ATOM 0 H PHE A 56 288.466 126.500 391.895 1.00 0.00 H new ATOM 0 HA PHE A 56 286.786 125.214 393.725 1.00 0.00 H new ATOM 0 HB2 PHE A 56 288.398 127.640 393.640 1.00 0.00 H new ATOM 0 HB3 PHE A 56 286.847 127.999 394.372 1.00 0.00 H new ATOM 0 HD1 PHE A 56 287.061 127.969 396.660 1.00 0.00 H new ATOM 0 HD2 PHE A 56 289.058 124.964 394.412 1.00 0.00 H new ATOM 0 HE1 PHE A 56 287.579 126.768 398.732 1.00 0.00 H new ATOM 0 HE2 PHE A 56 289.443 123.676 396.466 1.00 0.00 H new ATOM 0 HZ PHE A 56 288.767 124.615 398.636 1.00 0.00 H new ATOM 936 N VAL A 57 285.207 127.413 391.822 1.00 0.00 N ATOM 937 CA VAL A 57 283.958 127.849 391.192 1.00 0.00 C ATOM 938 C VAL A 57 283.160 126.796 390.452 1.00 0.00 C ATOM 939 O VAL A 57 281.933 126.776 390.514 1.00 0.00 O ATOM 940 CB VAL A 57 283.609 129.338 391.161 1.00 0.00 C ATOM 941 CG1 VAL A 57 283.704 129.837 392.646 1.00 0.00 C ATOM 942 CG2 VAL A 57 284.315 130.238 390.117 1.00 0.00 C ATOM 0 H VAL A 57 286.009 127.845 391.362 1.00 0.00 H new ATOM 0 HA VAL A 57 283.122 128.017 391.871 1.00 0.00 H new ATOM 0 HB VAL A 57 282.599 129.439 390.764 1.00 0.00 H new ATOM 0 HG11 VAL A 57 283.464 130.899 392.689 1.00 0.00 H new ATOM 0 HG12 VAL A 57 282.998 129.281 393.263 1.00 0.00 H new ATOM 0 HG13 VAL A 57 284.716 129.678 393.019 1.00 0.00 H new ATOM 0 HG21 VAL A 57 283.961 131.264 390.222 1.00 0.00 H new ATOM 0 HG22 VAL A 57 285.392 130.207 390.279 1.00 0.00 H new ATOM 0 HG23 VAL A 57 284.089 129.877 389.114 1.00 0.00 H new ATOM 952 N GLU A 58 283.876 125.816 389.850 1.00 0.00 N ATOM 953 CA GLU A 58 283.394 124.528 389.338 1.00 0.00 C ATOM 954 C GLU A 58 282.878 123.634 390.495 1.00 0.00 C ATOM 955 O GLU A 58 281.787 123.076 390.393 1.00 0.00 O ATOM 956 CB GLU A 58 284.486 123.817 388.486 1.00 0.00 C ATOM 957 CG GLU A 58 284.031 122.563 387.710 1.00 0.00 C ATOM 958 CD GLU A 58 282.922 122.921 386.722 1.00 0.00 C ATOM 959 OE1 GLU A 58 283.187 123.743 385.804 1.00 0.00 O ATOM 960 OE2 GLU A 58 281.795 122.374 386.869 1.00 0.00 O1- ATOM 0 H GLU A 58 284.880 125.922 389.703 1.00 0.00 H new ATOM 0 HA GLU A 58 282.550 124.716 388.675 1.00 0.00 H new ATOM 0 HB2 GLU A 58 284.886 124.536 387.772 1.00 0.00 H new ATOM 0 HB3 GLU A 58 285.306 123.534 389.146 1.00 0.00 H new ATOM 0 HG2 GLU A 58 284.877 122.131 387.176 1.00 0.00 H new ATOM 0 HG3 GLU A 58 283.674 121.805 388.408 1.00 0.00 H new ATOM 967 N ALA A 59 283.611 123.558 391.663 1.00 0.00 N ATOM 968 CA ALA A 59 283.136 122.911 392.911 1.00 0.00 C ATOM 969 C ALA A 59 281.872 123.465 393.539 1.00 0.00 C ATOM 970 O ALA A 59 281.009 122.750 394.023 1.00 0.00 O ATOM 971 CB ALA A 59 284.063 123.137 394.124 1.00 0.00 C ATOM 0 H ALA A 59 284.549 123.950 391.748 1.00 0.00 H new ATOM 0 HA ALA A 59 283.043 121.895 392.526 1.00 0.00 H new ATOM 0 HB1 ALA A 59 283.648 122.634 394.997 1.00 0.00 H new ATOM 0 HB2 ALA A 59 285.051 122.732 393.907 1.00 0.00 H new ATOM 0 HB3 ALA A 59 284.145 124.205 394.325 1.00 0.00 H new ATOM 977 N TYR A 60 281.844 124.824 393.606 1.00 0.00 N ATOM 978 CA TYR A 60 280.953 125.768 394.297 1.00 0.00 C ATOM 979 C TYR A 60 279.429 125.538 394.027 1.00 0.00 C ATOM 980 O TYR A 60 278.532 125.962 394.738 1.00 0.00 O ATOM 981 CB TYR A 60 281.329 127.219 393.791 1.00 0.00 C ATOM 982 CG TYR A 60 281.440 128.413 394.715 1.00 0.00 C ATOM 983 CD1 TYR A 60 282.437 128.418 395.675 1.00 0.00 C ATOM 984 CD2 TYR A 60 280.824 129.629 394.437 1.00 0.00 C ATOM 985 CE1 TYR A 60 282.694 129.515 396.473 1.00 0.00 C ATOM 986 CE2 TYR A 60 281.130 130.764 395.177 1.00 0.00 C ATOM 987 CZ TYR A 60 282.055 130.694 396.204 1.00 0.00 C ATOM 988 OH TYR A 60 282.393 131.765 397.052 1.00 0.00 O ATOM 0 H TYR A 60 282.556 125.347 393.097 1.00 0.00 H new ATOM 0 HA TYR A 60 281.098 125.625 395.368 1.00 0.00 H new ATOM 0 HB2 TYR A 60 282.290 127.130 393.284 1.00 0.00 H new ATOM 0 HB3 TYR A 60 280.592 127.483 393.033 1.00 0.00 H new ATOM 0 HD1 TYR A 60 283.037 127.530 395.805 1.00 0.00 H new ATOM 0 HD2 TYR A 60 280.100 129.691 393.638 1.00 0.00 H new ATOM 0 HE1 TYR A 60 283.389 129.443 397.297 1.00 0.00 H new ATOM 0 HE2 TYR A 60 280.645 131.702 394.951 1.00 0.00 H new ATOM 0 HH TYR A 60 282.111 132.609 396.641 1.00 0.00 H new ATOM 998 N GLY A 61 279.124 124.748 392.976 1.00 0.00 N ATOM 999 CA GLY A 61 277.817 124.170 392.666 1.00 0.00 C ATOM 1000 C GLY A 61 277.497 122.813 393.294 1.00 0.00 C ATOM 1001 O GLY A 61 276.465 122.245 392.958 1.00 0.00 O ATOM 0 H GLY A 61 279.830 124.487 392.287 1.00 0.00 H new ATOM 0 HA2 GLY A 61 277.050 124.878 392.978 1.00 0.00 H new ATOM 0 HA3 GLY A 61 277.738 124.071 391.583 1.00 0.00 H new ATOM 1005 N LYS A 62 278.351 122.238 394.201 1.00 0.00 N ATOM 1006 CA LYS A 62 278.164 120.934 394.856 1.00 0.00 C ATOM 1007 C LYS A 62 277.567 120.991 396.271 1.00 0.00 C ATOM 1008 O LYS A 62 276.564 120.341 396.530 1.00 0.00 O ATOM 1009 CB LYS A 62 279.399 119.981 394.672 1.00 0.00 C ATOM 1010 CG LYS A 62 280.317 119.599 395.861 1.00 0.00 C ATOM 1011 CD LYS A 62 281.171 120.737 396.441 1.00 0.00 C ATOM 1012 CE LYS A 62 281.178 120.741 397.974 1.00 0.00 C ATOM 1013 NZ LYS A 62 282.306 119.971 398.544 1.00 0.00 N1+ ATOM 0 H LYS A 62 279.212 122.699 394.494 1.00 0.00 H new ATOM 0 HA LYS A 62 277.358 120.448 394.306 1.00 0.00 H new ATOM 0 HB2 LYS A 62 279.019 119.049 394.254 1.00 0.00 H new ATOM 0 HB3 LYS A 62 280.037 120.434 393.913 1.00 0.00 H new ATOM 0 HG2 LYS A 62 279.695 119.194 396.659 1.00 0.00 H new ATOM 0 HG3 LYS A 62 280.983 118.799 395.538 1.00 0.00 H new ATOM 0 HD2 LYS A 62 282.194 120.642 396.076 1.00 0.00 H new ATOM 0 HD3 LYS A 62 280.791 121.693 396.080 1.00 0.00 H new ATOM 0 HE2 LYS A 62 281.230 121.770 398.330 1.00 0.00 H new ATOM 0 HE3 LYS A 62 280.239 120.325 398.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 282.558 120.362 399.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 282.027 118.975 398.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 283.126 120.035 397.908 1.00 0.00 H new ATOM 1027 N ALA A 63 278.111 121.792 397.234 1.00 0.00 N ATOM 1028 CA ALA A 63 277.597 121.953 398.620 1.00 0.00 C ATOM 1029 C ALA A 63 276.595 123.099 398.758 1.00 0.00 C ATOM 1030 O ALA A 63 276.447 123.745 399.798 1.00 0.00 O ATOM 1031 CB ALA A 63 278.705 122.131 399.692 1.00 0.00 C ATOM 0 H ALA A 63 278.942 122.357 397.058 1.00 0.00 H new ATOM 0 HA ALA A 63 277.091 121.006 398.809 1.00 0.00 H new ATOM 0 HB1 ALA A 63 278.246 122.242 400.675 1.00 0.00 H new ATOM 0 HB2 ALA A 63 279.355 121.256 399.692 1.00 0.00 H new ATOM 0 HB3 ALA A 63 279.293 123.020 399.464 1.00 0.00 H new ATOM 1037 N ILE A 64 275.879 123.362 397.651 1.00 0.00 N ATOM 1038 CA ILE A 64 274.834 124.358 397.479 1.00 0.00 C ATOM 1039 C ILE A 64 273.456 123.815 397.956 1.00 0.00 C ATOM 1040 O ILE A 64 272.976 122.827 397.397 1.00 0.00 O ATOM 1041 CB ILE A 64 274.860 124.871 396.028 1.00 0.00 C ATOM 1042 CG1 ILE A 64 274.241 126.278 395.880 1.00 0.00 C ATOM 1043 CG2 ILE A 64 274.266 123.880 395.001 1.00 0.00 C ATOM 1044 CD1 ILE A 64 275.176 127.393 396.367 1.00 0.00 C ATOM 0 H ILE A 64 276.037 122.836 396.792 1.00 0.00 H new ATOM 0 HA ILE A 64 275.019 125.222 398.117 1.00 0.00 H new ATOM 0 HB ILE A 64 275.920 124.955 395.787 1.00 0.00 H new ATOM 0 HG12 ILE A 64 273.990 126.451 394.833 1.00 0.00 H new ATOM 0 HG13 ILE A 64 273.308 126.321 396.442 1.00 0.00 H new ATOM 0 HG21 ILE A 64 274.321 124.314 394.003 1.00 0.00 H new ATOM 0 HG22 ILE A 64 274.833 122.949 395.023 1.00 0.00 H new ATOM 0 HG23 ILE A 64 273.225 123.677 395.252 1.00 0.00 H new ATOM 0 HD11 ILE A 64 274.688 128.359 396.239 1.00 0.00 H new ATOM 0 HD12 ILE A 64 275.406 127.240 397.421 1.00 0.00 H new ATOM 0 HD13 ILE A 64 276.099 127.373 395.787 1.00 0.00 H new ATOM 1056 N PRO A 65 272.772 124.314 399.014 1.00 0.00 N ATOM 1057 CA PRO A 65 271.473 123.786 399.461 1.00 0.00 C ATOM 1058 C PRO A 65 270.293 124.302 398.589 1.00 0.00 C ATOM 1059 O PRO A 65 270.451 125.358 397.969 1.00 0.00 O ATOM 1060 CB PRO A 65 271.380 124.263 400.938 1.00 0.00 C ATOM 1061 CG PRO A 65 272.788 124.749 401.298 1.00 0.00 C ATOM 1062 CD PRO A 65 273.297 125.288 399.966 1.00 0.00 C ATOM 0 HA PRO A 65 271.403 122.702 399.368 1.00 0.00 H new ATOM 0 HB2 PRO A 65 270.648 125.063 401.047 1.00 0.00 H new ATOM 0 HB3 PRO A 65 271.065 123.451 401.594 1.00 0.00 H new ATOM 0 HG2 PRO A 65 272.767 125.521 402.068 1.00 0.00 H new ATOM 0 HG3 PRO A 65 273.413 123.940 401.675 1.00 0.00 H new ATOM 0 HD2 PRO A 65 272.926 126.293 399.766 1.00 0.00 H new ATOM 0 HD3 PRO A 65 274.385 125.339 399.937 1.00 0.00 H new ATOM 1070 N PRO A 66 269.100 123.664 398.526 1.00 0.00 N ATOM 1071 CA PRO A 66 267.973 124.065 397.667 1.00 0.00 C ATOM 1072 C PRO A 66 267.158 125.243 398.244 1.00 0.00 C ATOM 1073 O PRO A 66 266.001 125.053 398.618 1.00 0.00 O ATOM 1074 CB PRO A 66 267.161 122.757 397.572 1.00 0.00 C ATOM 1075 CG PRO A 66 267.374 122.073 398.926 1.00 0.00 C ATOM 1076 CD PRO A 66 268.826 122.423 399.254 1.00 0.00 C ATOM 0 HA PRO A 66 268.286 124.452 396.697 1.00 0.00 H new ATOM 0 HB2 PRO A 66 266.105 122.958 397.391 1.00 0.00 H new ATOM 0 HB3 PRO A 66 267.512 122.131 396.752 1.00 0.00 H new ATOM 0 HG2 PRO A 66 266.686 122.450 399.683 1.00 0.00 H new ATOM 0 HG3 PRO A 66 267.221 120.996 398.864 1.00 0.00 H new ATOM 0 HD2 PRO A 66 268.965 122.558 400.327 1.00 0.00 H new ATOM 0 HD3 PRO A 66 269.502 121.627 398.942 1.00 0.00 H new ATOM 1084 N ALA A 67 267.786 126.452 398.292 1.00 0.00 N ATOM 1085 CA ALA A 67 267.287 127.739 398.786 1.00 0.00 C ATOM 1086 C ALA A 67 267.537 127.927 400.296 1.00 0.00 C ATOM 1087 O ALA A 67 266.612 127.760 401.091 1.00 0.00 O ATOM 1088 CB ALA A 67 265.814 128.052 398.406 1.00 0.00 C ATOM 0 H ALA A 67 268.743 126.543 397.951 1.00 0.00 H new ATOM 0 HA ALA A 67 267.883 128.480 398.254 1.00 0.00 H new ATOM 0 HB1 ALA A 67 265.532 129.023 398.813 1.00 0.00 H new ATOM 0 HB2 ALA A 67 265.714 128.071 397.321 1.00 0.00 H new ATOM 0 HB3 ALA A 67 265.161 127.282 398.817 1.00 0.00 H new ATOM 1094 N PRO A 68 268.766 128.265 400.761 1.00 0.00 N ATOM 1095 CA PRO A 68 269.082 128.410 402.183 1.00 0.00 C ATOM 1096 C PRO A 68 268.784 129.832 402.723 1.00 0.00 C ATOM 1097 O PRO A 68 268.476 130.738 401.941 1.00 0.00 O ATOM 1098 CB PRO A 68 270.610 128.154 402.175 1.00 0.00 C ATOM 1099 CG PRO A 68 271.093 128.796 400.873 1.00 0.00 C ATOM 1100 CD PRO A 68 269.940 128.495 399.910 1.00 0.00 C ATOM 0 HA PRO A 68 268.496 127.748 402.820 1.00 0.00 H new ATOM 0 HB2 PRO A 68 271.093 128.603 403.043 1.00 0.00 H new ATOM 0 HB3 PRO A 68 270.835 127.088 402.200 1.00 0.00 H new ATOM 0 HG2 PRO A 68 271.259 129.867 400.986 1.00 0.00 H new ATOM 0 HG3 PRO A 68 272.032 128.362 400.530 1.00 0.00 H new ATOM 0 HD2 PRO A 68 269.772 129.328 399.227 1.00 0.00 H new ATOM 0 HD3 PRO A 68 270.158 127.620 399.298 1.00 0.00 H new ATOM 1108 N PRO A 69 268.842 130.065 404.057 1.00 0.00 N ATOM 1109 CA PRO A 69 268.882 131.401 404.648 1.00 0.00 C ATOM 1110 C PRO A 69 270.329 131.953 404.590 1.00 0.00 C ATOM 1111 O PRO A 69 271.274 131.208 404.332 1.00 0.00 O ATOM 1112 CB PRO A 69 268.422 131.124 406.090 1.00 0.00 C ATOM 1113 CG PRO A 69 269.009 129.746 406.421 1.00 0.00 C ATOM 1114 CD PRO A 69 268.986 129.015 405.072 1.00 0.00 C ATOM 0 HA PRO A 69 268.267 132.148 404.146 1.00 0.00 H new ATOM 0 HB2 PRO A 69 268.788 131.887 406.777 1.00 0.00 H new ATOM 0 HB3 PRO A 69 267.335 131.121 406.166 1.00 0.00 H new ATOM 0 HG2 PRO A 69 270.021 129.825 406.818 1.00 0.00 H new ATOM 0 HG3 PRO A 69 268.413 129.225 407.170 1.00 0.00 H new ATOM 0 HD2 PRO A 69 269.903 128.445 404.919 1.00 0.00 H new ATOM 0 HD3 PRO A 69 268.159 128.307 405.024 1.00 0.00 H new ATOM 1122 N ALA A 70 270.526 133.269 404.844 1.00 0.00 N ATOM 1123 CA ALA A 70 271.796 133.992 404.814 1.00 0.00 C ATOM 1124 C ALA A 70 272.964 133.520 405.717 1.00 0.00 C ATOM 1125 O ALA A 70 274.061 133.365 405.174 1.00 0.00 O ATOM 1126 CB ALA A 70 271.518 135.502 404.989 1.00 0.00 C ATOM 0 H ALA A 70 269.748 133.881 405.089 1.00 0.00 H new ATOM 0 HA ALA A 70 272.201 133.748 403.832 1.00 0.00 H new ATOM 0 HB1 ALA A 70 272.460 136.050 404.968 1.00 0.00 H new ATOM 0 HB2 ALA A 70 270.877 135.850 404.179 1.00 0.00 H new ATOM 0 HB3 ALA A 70 271.020 135.672 405.944 1.00 0.00 H new ATOM 1132 N PRO A 71 272.866 133.277 407.053 1.00 0.00 N ATOM 1133 CA PRO A 71 273.997 132.824 407.868 1.00 0.00 C ATOM 1134 C PRO A 71 274.254 131.306 407.716 1.00 0.00 C ATOM 1135 O PRO A 71 273.313 130.577 407.392 1.00 0.00 O ATOM 1136 CB PRO A 71 273.541 133.169 409.304 1.00 0.00 C ATOM 1137 CG PRO A 71 272.021 132.998 409.275 1.00 0.00 C ATOM 1138 CD PRO A 71 271.657 133.462 407.858 1.00 0.00 C ATOM 0 HA PRO A 71 274.938 133.293 407.581 1.00 0.00 H new ATOM 0 HB2 PRO A 71 274.001 132.506 410.037 1.00 0.00 H new ATOM 0 HB3 PRO A 71 273.821 134.187 409.575 1.00 0.00 H new ATOM 0 HG2 PRO A 71 271.726 131.963 409.451 1.00 0.00 H new ATOM 0 HG3 PRO A 71 271.531 133.603 410.038 1.00 0.00 H new ATOM 0 HD2 PRO A 71 270.828 132.879 407.457 1.00 0.00 H new ATOM 0 HD3 PRO A 71 271.343 134.506 407.857 1.00 0.00 H new ATOM 1146 N PRO A 72 275.480 130.788 407.935 1.00 0.00 N ATOM 1147 CA PRO A 72 275.782 129.360 407.908 1.00 0.00 C ATOM 1148 C PRO A 72 275.378 128.675 409.225 1.00 0.00 C ATOM 1149 O PRO A 72 275.285 129.302 410.282 1.00 0.00 O ATOM 1150 CB PRO A 72 277.306 129.327 407.659 1.00 0.00 C ATOM 1151 CG PRO A 72 277.845 130.619 408.286 1.00 0.00 C ATOM 1152 CD PRO A 72 276.660 131.588 408.250 1.00 0.00 C ATOM 0 HA PRO A 72 275.229 128.813 407.145 1.00 0.00 H new ATOM 0 HB2 PRO A 72 277.761 128.448 408.116 1.00 0.00 H new ATOM 0 HB3 PRO A 72 277.530 129.284 406.593 1.00 0.00 H new ATOM 0 HG2 PRO A 72 278.189 130.451 409.307 1.00 0.00 H new ATOM 0 HG3 PRO A 72 278.693 131.009 407.724 1.00 0.00 H new ATOM 0 HD2 PRO A 72 276.542 132.092 409.209 1.00 0.00 H new ATOM 0 HD3 PRO A 72 276.815 132.363 407.499 1.00 0.00 H new ATOM 1160 N LEU A 73 275.140 127.343 409.169 1.00 0.00 N ATOM 1161 CA LEU A 73 274.740 126.522 410.302 1.00 0.00 C ATOM 1162 C LEU A 73 275.961 125.964 411.022 1.00 0.00 C ATOM 1163 O LEU A 73 276.626 125.034 410.571 1.00 0.00 O ATOM 1164 CB LEU A 73 273.776 125.389 409.851 1.00 0.00 C ATOM 1165 CG LEU A 73 272.465 125.912 409.198 1.00 0.00 C ATOM 1166 CD1 LEU A 73 271.615 124.786 408.580 1.00 0.00 C ATOM 1167 CD2 LEU A 73 271.600 126.733 410.175 1.00 0.00 C ATOM 0 H LEU A 73 275.228 126.810 408.304 1.00 0.00 H new ATOM 0 HA LEU A 73 274.199 127.151 411.009 1.00 0.00 H new ATOM 0 HB2 LEU A 73 274.294 124.744 409.141 1.00 0.00 H new ATOM 0 HB3 LEU A 73 273.522 124.774 410.714 1.00 0.00 H new ATOM 0 HG LEU A 73 272.797 126.570 408.395 1.00 0.00 H new ATOM 0 HD11 LEU A 73 270.713 125.211 408.139 1.00 0.00 H new ATOM 0 HD12 LEU A 73 272.191 124.277 407.807 1.00 0.00 H new ATOM 0 HD13 LEU A 73 271.338 124.072 409.355 1.00 0.00 H new ATOM 0 HD21 LEU A 73 270.698 127.072 409.665 1.00 0.00 H new ATOM 0 HD22 LEU A 73 271.324 126.111 411.027 1.00 0.00 H new ATOM 0 HD23 LEU A 73 272.166 127.596 410.525 1.00 0.00 H new ATOM 1179 N THR A 74 276.268 126.576 412.191 1.00 0.00 N ATOM 1180 CA THR A 74 277.389 126.264 413.068 1.00 0.00 C ATOM 1181 C THR A 74 276.923 125.403 414.239 1.00 0.00 C ATOM 1182 O THR A 74 277.209 124.212 414.312 1.00 0.00 O ATOM 1183 CB THR A 74 278.089 127.552 413.534 1.00 0.00 C ATOM 1184 OG1 THR A 74 277.178 128.494 414.103 1.00 0.00 O ATOM 1185 CG2 THR A 74 278.725 128.234 412.308 1.00 0.00 C ATOM 0 H THR A 74 275.700 127.341 412.555 1.00 0.00 H new ATOM 0 HA THR A 74 278.126 125.685 412.511 1.00 0.00 H new ATOM 0 HB THR A 74 278.822 127.267 414.289 1.00 0.00 H new ATOM 0 HG1 THR A 74 277.669 129.294 414.385 1.00 0.00 H new ATOM 0 HG21 THR A 74 279.226 129.150 412.620 1.00 0.00 H new ATOM 0 HG22 THR A 74 279.451 127.560 411.853 1.00 0.00 H new ATOM 0 HG23 THR A 74 277.948 128.475 411.582 1.00 0.00 H new ATOM 1193 N LEU A 75 276.185 126.021 415.187 1.00 0.00 N ATOM 1194 CA LEU A 75 275.645 125.430 416.386 1.00 0.00 C ATOM 1195 C LEU A 75 274.134 125.636 416.405 1.00 0.00 C ATOM 1196 O LEU A 75 273.600 126.494 417.106 1.00 0.00 O ATOM 1197 CB LEU A 75 276.391 125.969 417.650 1.00 0.00 C ATOM 1198 CG LEU A 75 276.917 127.437 417.618 1.00 0.00 C ATOM 1199 CD1 LEU A 75 275.843 128.519 417.411 1.00 0.00 C ATOM 1200 CD2 LEU A 75 277.707 127.774 418.899 1.00 0.00 C ATOM 0 H LEU A 75 275.947 127.010 415.110 1.00 0.00 H new ATOM 0 HA LEU A 75 275.813 124.353 416.399 1.00 0.00 H new ATOM 0 HB2 LEU A 75 275.717 125.874 418.501 1.00 0.00 H new ATOM 0 HB3 LEU A 75 277.241 125.314 417.841 1.00 0.00 H new ATOM 0 HG LEU A 75 277.560 127.461 416.738 1.00 0.00 H new ATOM 0 HD11 LEU A 75 276.314 129.502 417.404 1.00 0.00 H new ATOM 0 HD12 LEU A 75 275.337 128.352 416.460 1.00 0.00 H new ATOM 0 HD13 LEU A 75 275.116 128.470 418.222 1.00 0.00 H new ATOM 0 HD21 LEU A 75 278.061 128.804 418.848 1.00 0.00 H new ATOM 0 HD22 LEU A 75 277.059 127.656 419.768 1.00 0.00 H new ATOM 0 HD23 LEU A 75 278.560 127.101 418.988 1.00 0.00 H new ATOM 1212 N SER A 76 273.389 124.814 415.622 1.00 0.00 N ATOM 1213 CA SER A 76 271.928 124.847 415.544 1.00 0.00 C ATOM 1214 C SER A 76 271.351 123.525 416.056 1.00 0.00 C ATOM 1215 O SER A 76 272.006 122.783 416.782 1.00 0.00 O ATOM 1216 CB SER A 76 271.427 125.221 414.114 1.00 0.00 C ATOM 1217 OG SER A 76 270.027 125.532 414.059 1.00 0.00 O ATOM 0 H SER A 76 273.806 124.102 415.022 1.00 0.00 H new ATOM 0 HA SER A 76 271.559 125.641 416.193 1.00 0.00 H new ATOM 0 HB2 SER A 76 271.995 126.077 413.751 1.00 0.00 H new ATOM 0 HB3 SER A 76 271.633 124.392 413.437 1.00 0.00 H new ATOM 0 HG SER A 76 269.899 126.492 414.209 1.00 0.00 H new ATOM 1223 N LYS A 77 270.068 123.240 415.699 1.00 0.00 N ATOM 1224 CA LYS A 77 269.241 122.093 416.107 1.00 0.00 C ATOM 1225 C LYS A 77 268.758 122.216 417.559 1.00 0.00 C ATOM 1226 O LYS A 77 268.857 121.278 418.347 1.00 0.00 O ATOM 1227 CB LYS A 77 269.862 120.691 415.809 1.00 0.00 C ATOM 1228 CG LYS A 77 270.291 120.479 414.342 1.00 0.00 C ATOM 1229 CD LYS A 77 269.137 120.577 413.331 1.00 0.00 C ATOM 1230 CE LYS A 77 269.599 120.328 411.889 1.00 0.00 C ATOM 1231 NZ LYS A 77 268.465 120.428 410.941 1.00 0.00 N1+ ATOM 0 H LYS A 77 269.556 123.859 415.071 1.00 0.00 H new ATOM 0 HA LYS A 77 268.366 122.145 415.459 1.00 0.00 H new ATOM 0 HB2 LYS A 77 270.730 120.548 416.452 1.00 0.00 H new ATOM 0 HB3 LYS A 77 269.137 119.922 416.077 1.00 0.00 H new ATOM 0 HG2 LYS A 77 271.049 121.219 414.085 1.00 0.00 H new ATOM 0 HG3 LYS A 77 270.759 119.499 414.249 1.00 0.00 H new ATOM 0 HD2 LYS A 77 268.366 119.852 413.593 1.00 0.00 H new ATOM 0 HD3 LYS A 77 268.682 121.565 413.398 1.00 0.00 H new ATOM 0 HE2 LYS A 77 270.367 121.053 411.620 1.00 0.00 H new ATOM 0 HE3 LYS A 77 270.053 119.340 411.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 268.805 120.255 409.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 267.744 119.720 411.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 268.049 121.379 410.997 1.00 0.00 H new ATOM 1245 N LEU A 78 268.238 123.430 417.900 1.00 0.00 N ATOM 1246 CA LEU A 78 267.737 123.901 419.196 1.00 0.00 C ATOM 1247 C LEU A 78 268.846 124.390 420.131 1.00 0.00 C ATOM 1248 O LEU A 78 268.801 124.195 421.345 1.00 0.00 O ATOM 1249 CB LEU A 78 266.732 122.953 419.927 1.00 0.00 C ATOM 1250 CG LEU A 78 265.497 122.537 419.093 1.00 0.00 C ATOM 1251 CD1 LEU A 78 264.575 121.619 419.916 1.00 0.00 C ATOM 1252 CD2 LEU A 78 264.708 123.741 418.552 1.00 0.00 C ATOM 0 H LEU A 78 268.158 124.164 417.196 1.00 0.00 H new ATOM 0 HA LEU A 78 267.135 124.766 418.918 1.00 0.00 H new ATOM 0 HB2 LEU A 78 267.264 122.052 420.234 1.00 0.00 H new ATOM 0 HB3 LEU A 78 266.388 123.446 420.836 1.00 0.00 H new ATOM 0 HG LEU A 78 265.873 121.991 418.228 1.00 0.00 H new ATOM 0 HD11 LEU A 78 263.712 121.336 419.314 1.00 0.00 H new ATOM 0 HD12 LEU A 78 265.122 120.723 420.210 1.00 0.00 H new ATOM 0 HD13 LEU A 78 264.238 122.147 420.808 1.00 0.00 H new ATOM 0 HD21 LEU A 78 263.854 123.387 417.975 1.00 0.00 H new ATOM 0 HD22 LEU A 78 264.356 124.350 419.385 1.00 0.00 H new ATOM 0 HD23 LEU A 78 265.354 124.341 417.912 1.00 0.00 H new ATOM 1264 N GLU A 79 269.880 125.063 419.549 1.00 0.00 N ATOM 1265 CA GLU A 79 271.048 125.593 420.248 1.00 0.00 C ATOM 1266 C GLU A 79 271.162 127.114 420.105 1.00 0.00 C ATOM 1267 O GLU A 79 270.520 127.861 420.845 1.00 0.00 O ATOM 1268 CB GLU A 79 272.320 124.828 419.778 1.00 0.00 C ATOM 1269 CG GLU A 79 273.552 125.018 420.686 1.00 0.00 C ATOM 1270 CD GLU A 79 274.685 124.060 420.302 1.00 0.00 C ATOM 1271 OE1 GLU A 79 275.740 124.111 420.988 1.00 0.00 O ATOM 1272 OE2 GLU A 79 274.521 123.275 419.331 1.00 0.00 O1- ATOM 0 H GLU A 79 269.907 125.248 418.546 1.00 0.00 H new ATOM 0 HA GLU A 79 270.936 125.423 421.319 1.00 0.00 H new ATOM 0 HB2 GLU A 79 272.088 123.765 419.719 1.00 0.00 H new ATOM 0 HB3 GLU A 79 272.574 125.155 418.770 1.00 0.00 H new ATOM 0 HG2 GLU A 79 273.904 126.047 420.613 1.00 0.00 H new ATOM 0 HG3 GLU A 79 273.269 124.851 421.725 1.00 0.00 H new ATOM 1279 N HIS A 80 271.997 127.617 419.145 1.00 0.00 N ATOM 1280 CA HIS A 80 272.257 129.026 418.823 1.00 0.00 C ATOM 1281 C HIS A 80 273.026 129.823 419.880 1.00 0.00 C ATOM 1282 O HIS A 80 273.337 130.998 419.681 1.00 0.00 O ATOM 1283 CB HIS A 80 271.010 129.797 418.299 1.00 0.00 C ATOM 1284 CG HIS A 80 270.566 129.263 416.965 1.00 0.00 C ATOM 1285 ND1 HIS A 80 271.001 129.771 415.758 1.00 0.00 N ATOM 1286 CD2 HIS A 80 269.802 128.179 416.657 1.00 0.00 C ATOM 1287 CE1 HIS A 80 270.483 128.978 414.787 1.00 0.00 C ATOM 1288 NE2 HIS A 80 269.755 127.993 415.283 1.00 0.00 N ATOM 0 H HIS A 80 272.535 126.993 418.544 1.00 0.00 H new ATOM 0 HA HIS A 80 272.951 128.944 417.987 1.00 0.00 H new ATOM 0 HB2 HIS A 80 270.196 129.710 419.018 1.00 0.00 H new ATOM 0 HB3 HIS A 80 271.245 130.858 418.210 1.00 0.00 H new ATOM 0 HD1 HIS A 80 271.598 130.587 415.622 1.00 0.00 H new ATOM 0 HD2 HIS A 80 269.303 127.552 417.381 1.00 0.00 H new ATOM 0 HE1 HIS A 80 270.647 129.134 413.731 1.00 0.00 H new TER 1296 HIS A 80