USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=24 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 -38:sc= 1.27 USER MOD Set 1.2: A 77 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0102) USER MOD Set 2.1: A 34 TYR OH : rot -129:sc= 2.16 USER MOD Set 2.2: A 49 ASN :FLIP amide:sc= 0.276 F(o=1,f=2.4) USER MOD Set 3.1: A 5 SER OG : rot -94:sc= 0.739 USER MOD Set 3.2: A 30 TYR OH : rot 180:sc= 0.658 USER MOD Single : A 0 MET CE :methyl -135:sc= 0 (180deg=-0.0833) USER MOD Single : A 0 MET N :NH3+ -174:sc= 0 (180deg=-0.0275) USER MOD Single : A 4 TYR OH : rot 44:sc= -0.26 USER MOD Single : A 9 THR OG1 : rot -27:sc= 0.00677 USER MOD Single : A 14 LYS NZ :NH3+ -122:sc= -0.0134 (180deg=-0.353) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -1.27 F(o=-1.8,f=-1.3) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -1.09 X(o=-1.1,f=-1.5) USER MOD Single : A 29 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.499) USER MOD Single : A 33 SER OG : rot 89:sc= 2.12 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -70:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -117:sc= -0.316 (180deg=-3.13!) 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 -140:sc= 1.28 USER MOD Single : A 62 LYS NZ :NH3+ -160:sc= -0.0834 (180deg=-0.675) USER MOD Single : A 74 THR OG1 : rot -37:sc= 0.491 USER MOD Single : A 80 HIS : no HE2:sc= 0.0414 X(o=0.041,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 281.264 121.160 406.235 1.00 0.00 N ATOM 2 CA MET A 0 281.883 121.959 405.211 1.00 0.00 C ATOM 3 C MET A 0 283.376 121.825 405.327 1.00 0.00 C ATOM 4 O MET A 0 284.055 122.725 405.816 1.00 0.00 O ATOM 5 CB MET A 0 281.439 123.451 405.245 1.00 0.00 C ATOM 6 CG MET A 0 279.940 123.622 404.916 1.00 0.00 C ATOM 7 SD MET A 0 279.496 123.010 403.264 1.00 0.00 S ATOM 8 CE MET A 0 277.709 123.252 403.453 1.00 0.00 C ATOM 0 H1 MET A 0 280.233 121.164 406.102 1.00 0.00 H new ATOM 0 H2 MET A 0 281.618 120.184 406.175 1.00 0.00 H new ATOM 0 H3 MET A 0 281.494 121.554 407.169 1.00 0.00 H new ATOM 0 HA MET A 0 281.551 121.584 404.243 1.00 0.00 H new ATOM 0 HB2 MET A 0 281.642 123.866 406.232 1.00 0.00 H new ATOM 0 HB3 MET A 0 282.033 124.021 404.531 1.00 0.00 H new ATOM 0 HG2 MET A 0 279.348 123.094 405.663 1.00 0.00 H new ATOM 0 HG3 MET A 0 279.677 124.677 404.988 1.00 0.00 H new ATOM 0 HE1 MET A 0 277.182 122.372 403.086 1.00 0.00 H new ATOM 0 HE2 MET A 0 277.472 123.404 404.506 1.00 0.00 H new ATOM 0 HE3 MET A 0 277.398 124.126 402.881 1.00 0.00 H new ATOM 18 N GLY A 1 283.953 120.691 404.839 1.00 0.00 N ATOM 19 CA GLY A 1 285.404 120.418 404.841 1.00 0.00 C ATOM 20 C GLY A 1 286.216 121.168 403.802 1.00 0.00 C ATOM 21 O GLY A 1 287.442 121.239 403.859 1.00 0.00 O ATOM 0 H GLY A 1 283.407 119.934 404.428 1.00 0.00 H new ATOM 0 HA2 GLY A 1 285.799 120.659 405.828 1.00 0.00 H new ATOM 0 HA3 GLY A 1 285.554 119.349 404.690 1.00 0.00 H new ATOM 25 N ILE A 2 285.525 121.771 402.806 1.00 0.00 N ATOM 26 CA ILE A 2 286.114 122.578 401.755 1.00 0.00 C ATOM 27 C ILE A 2 285.529 123.969 401.867 1.00 0.00 C ATOM 28 O ILE A 2 284.311 124.118 401.977 1.00 0.00 O ATOM 29 CB ILE A 2 285.823 122.073 400.351 1.00 0.00 C ATOM 30 CG1 ILE A 2 285.774 120.527 400.256 1.00 0.00 C ATOM 31 CG2 ILE A 2 286.887 122.756 399.470 1.00 0.00 C ATOM 32 CD1 ILE A 2 286.092 119.974 398.865 1.00 0.00 C ATOM 0 H ILE A 2 284.511 121.696 402.725 1.00 0.00 H new ATOM 0 HA ILE A 2 287.195 122.544 401.892 1.00 0.00 H new ATOM 0 HB ILE A 2 284.822 122.335 400.009 1.00 0.00 H new ATOM 0 HG12 ILE A 2 286.481 120.108 400.972 1.00 0.00 H new ATOM 0 HG13 ILE A 2 284.781 120.187 400.552 1.00 0.00 H new ATOM 0 HG21 ILE A 2 286.753 122.448 398.433 1.00 0.00 H new ATOM 0 HG22 ILE A 2 286.780 123.838 399.544 1.00 0.00 H new ATOM 0 HG23 ILE A 2 287.881 122.466 399.809 1.00 0.00 H new ATOM 0 HD11 ILE A 2 286.036 118.886 398.885 1.00 0.00 H new ATOM 0 HD12 ILE A 2 285.370 120.361 398.146 1.00 0.00 H new ATOM 0 HD13 ILE A 2 287.096 120.281 398.572 1.00 0.00 H new ATOM 44 N ASP A 3 286.345 125.060 401.805 1.00 0.00 N ATOM 45 CA ASP A 3 285.790 126.379 402.044 1.00 0.00 C ATOM 46 C ASP A 3 285.163 127.077 400.843 1.00 0.00 C ATOM 47 O ASP A 3 285.632 128.127 400.430 1.00 0.00 O ATOM 48 CB ASP A 3 286.939 127.299 402.600 1.00 0.00 C ATOM 49 CG ASP A 3 286.441 128.508 403.388 1.00 0.00 C ATOM 50 OD1 ASP A 3 287.268 129.413 403.627 1.00 0.00 O ATOM 51 OD2 ASP A 3 285.233 128.587 403.722 1.00 0.00 O1- ATOM 0 H ASP A 3 287.344 125.035 401.599 1.00 0.00 H new ATOM 0 HA ASP A 3 284.970 126.223 402.745 1.00 0.00 H new ATOM 0 HB2 ASP A 3 287.589 126.703 403.241 1.00 0.00 H new ATOM 0 HB3 ASP A 3 287.547 127.648 401.765 1.00 0.00 H new ATOM 56 N TYR A 4 284.031 126.546 400.318 1.00 0.00 N ATOM 57 CA TYR A 4 282.981 127.182 399.523 1.00 0.00 C ATOM 58 C TYR A 4 281.964 128.058 400.237 1.00 0.00 C ATOM 59 O TYR A 4 281.820 129.250 399.959 1.00 0.00 O ATOM 60 CB TYR A 4 282.426 126.400 398.316 1.00 0.00 C ATOM 61 CG TYR A 4 283.453 125.492 397.823 1.00 0.00 C ATOM 62 CD1 TYR A 4 284.395 125.995 396.973 1.00 0.00 C ATOM 63 CD2 TYR A 4 283.438 124.152 398.148 1.00 0.00 C ATOM 64 CE1 TYR A 4 285.301 125.144 396.424 1.00 0.00 C ATOM 65 CE2 TYR A 4 284.395 123.327 397.624 1.00 0.00 C ATOM 66 CZ TYR A 4 285.357 123.822 396.787 1.00 0.00 C ATOM 67 OH TYR A 4 286.274 122.942 396.185 1.00 0.00 O ATOM 0 H TYR A 4 283.821 125.558 400.463 1.00 0.00 H new ATOM 0 HA TYR A 4 283.618 127.931 399.052 1.00 0.00 H new ATOM 0 HB2 TYR A 4 281.537 125.840 398.607 1.00 0.00 H new ATOM 0 HB3 TYR A 4 282.124 127.090 397.528 1.00 0.00 H new ATOM 0 HD1 TYR A 4 284.420 127.050 396.741 1.00 0.00 H new ATOM 0 HD2 TYR A 4 282.680 123.758 398.809 1.00 0.00 H new ATOM 0 HE1 TYR A 4 285.994 125.517 395.684 1.00 0.00 H new ATOM 0 HE2 TYR A 4 284.391 122.276 397.873 1.00 0.00 H new ATOM 0 HH TYR A 4 287.152 123.374 396.126 1.00 0.00 H new ATOM 77 N SER A 5 281.139 127.407 401.141 1.00 0.00 N ATOM 78 CA SER A 5 279.885 127.950 401.715 1.00 0.00 C ATOM 79 C SER A 5 279.973 129.284 402.452 1.00 0.00 C ATOM 80 O SER A 5 279.205 130.156 402.083 1.00 0.00 O ATOM 81 CB SER A 5 278.979 126.862 402.444 1.00 0.00 C ATOM 82 OG SER A 5 278.124 127.321 403.513 1.00 0.00 O ATOM 0 H SER A 5 281.351 126.470 401.485 1.00 0.00 H new ATOM 0 HA SER A 5 279.340 128.236 400.815 1.00 0.00 H new ATOM 0 HB2 SER A 5 278.351 126.386 401.691 1.00 0.00 H new ATOM 0 HB3 SER A 5 279.636 126.090 402.845 1.00 0.00 H new ATOM 0 HG SER A 5 278.585 127.211 404.371 1.00 0.00 H new ATOM 88 N GLY A 6 280.920 129.591 403.397 1.00 0.00 N ATOM 89 CA GLY A 6 281.080 130.927 403.970 1.00 0.00 C ATOM 90 C GLY A 6 281.382 132.066 403.010 1.00 0.00 C ATOM 91 O GLY A 6 281.024 133.214 403.203 1.00 0.00 O ATOM 0 H GLY A 6 281.580 128.907 403.766 1.00 0.00 H new ATOM 0 HA2 GLY A 6 280.166 131.174 404.510 1.00 0.00 H new ATOM 0 HA3 GLY A 6 281.883 130.884 404.706 1.00 0.00 H new ATOM 95 N LEU A 7 282.029 131.748 401.872 1.00 0.00 N ATOM 96 CA LEU A 7 282.428 132.601 400.764 1.00 0.00 C ATOM 97 C LEU A 7 281.239 132.921 399.890 1.00 0.00 C ATOM 98 O LEU A 7 280.939 134.087 399.637 1.00 0.00 O ATOM 99 CB LEU A 7 283.754 132.149 400.071 1.00 0.00 C ATOM 100 CG LEU A 7 284.848 131.823 401.135 1.00 0.00 C ATOM 101 CD1 LEU A 7 284.539 130.483 401.752 1.00 0.00 C ATOM 102 CD2 LEU A 7 286.303 131.574 400.755 1.00 0.00 C ATOM 0 H LEU A 7 282.309 130.782 401.700 1.00 0.00 H new ATOM 0 HA LEU A 7 282.741 133.573 401.145 1.00 0.00 H new ATOM 0 HB2 LEU A 7 283.567 131.270 399.454 1.00 0.00 H new ATOM 0 HB3 LEU A 7 284.109 132.936 399.406 1.00 0.00 H new ATOM 0 HG LEU A 7 284.795 132.749 401.708 1.00 0.00 H new ATOM 0 HD11 LEU A 7 285.296 130.243 402.498 1.00 0.00 H new ATOM 0 HD12 LEU A 7 283.559 130.519 402.228 1.00 0.00 H new ATOM 0 HD13 LEU A 7 284.538 129.717 400.977 1.00 0.00 H new ATOM 0 HD21 LEU A 7 286.883 131.367 401.654 1.00 0.00 H new ATOM 0 HD22 LEU A 7 286.362 130.720 400.080 1.00 0.00 H new ATOM 0 HD23 LEU A 7 286.706 132.457 400.259 1.00 0.00 H new ATOM 114 N ARG A 8 280.450 131.876 399.486 1.00 0.00 N ATOM 115 CA ARG A 8 279.139 132.077 398.848 1.00 0.00 C ATOM 116 C ARG A 8 278.014 132.616 399.707 1.00 0.00 C ATOM 117 O ARG A 8 277.223 133.432 399.241 1.00 0.00 O ATOM 118 CB ARG A 8 278.666 130.913 397.915 1.00 0.00 C ATOM 119 CG ARG A 8 279.351 129.543 398.137 1.00 0.00 C ATOM 120 CD ARG A 8 278.883 128.466 397.133 1.00 0.00 C ATOM 121 NE ARG A 8 279.627 127.128 397.259 1.00 0.00 N ATOM 122 CZ ARG A 8 279.033 126.097 397.938 1.00 0.00 C ATOM 123 NH1 ARG A 8 278.032 126.315 398.835 1.00 0.00 N1+ ATOM 124 NH2 ARG A 8 279.459 124.830 397.672 1.00 0.00 N ATOM 0 H ARG A 8 280.712 130.896 399.597 1.00 0.00 H new ATOM 0 HA ARG A 8 279.386 132.918 398.200 1.00 0.00 H new ATOM 0 HB2 ARG A 8 277.591 130.784 398.044 1.00 0.00 H new ATOM 0 HB3 ARG A 8 278.829 131.215 396.880 1.00 0.00 H new ATOM 0 HG2 ARG A 8 280.431 129.665 398.054 1.00 0.00 H new ATOM 0 HG3 ARG A 8 279.146 129.200 399.151 1.00 0.00 H new ATOM 0 HD2 ARG A 8 277.816 128.291 397.274 1.00 0.00 H new ATOM 0 HD3 ARG A 8 279.012 128.848 396.120 1.00 0.00 H new ATOM 0 HE ARG A 8 280.551 127.009 396.843 1.00 0.00 H new ATOM 0 HH11 ARG A 8 277.707 127.265 399.015 1.00 0.00 H new ATOM 0 HH12 ARG A 8 277.607 125.529 399.327 1.00 0.00 H new ATOM 0 HH21 ARG A 8 280.198 124.674 396.986 1.00 0.00 H new ATOM 0 HH22 ARG A 8 279.039 124.038 398.159 1.00 0.00 H new ATOM 138 N THR A 9 277.914 132.194 400.986 1.00 0.00 N ATOM 139 CA THR A 9 276.907 132.674 401.926 1.00 0.00 C ATOM 140 C THR A 9 277.199 133.992 402.628 1.00 0.00 C ATOM 141 O THR A 9 276.245 134.669 402.999 1.00 0.00 O ATOM 142 CB THR A 9 276.340 131.558 402.780 1.00 0.00 C ATOM 143 OG1 THR A 9 274.997 131.838 403.154 1.00 0.00 O ATOM 144 CG2 THR A 9 277.130 131.226 404.057 1.00 0.00 C ATOM 0 H THR A 9 278.544 131.501 401.389 1.00 0.00 H new ATOM 0 HA THR A 9 276.075 133.001 401.303 1.00 0.00 H new ATOM 0 HB THR A 9 276.409 130.683 402.134 1.00 0.00 H new ATOM 0 HG1 THR A 9 274.857 132.808 403.170 1.00 0.00 H new ATOM 0 HG21 THR A 9 276.635 130.414 404.590 1.00 0.00 H new ATOM 0 HG22 THR A 9 278.142 130.921 403.790 1.00 0.00 H new ATOM 0 HG23 THR A 9 277.174 132.107 404.697 1.00 0.00 H new ATOM 152 N ILE A 10 278.479 134.425 402.810 1.00 0.00 N ATOM 153 CA ILE A 10 278.808 135.761 403.311 1.00 0.00 C ATOM 154 C ILE A 10 279.247 136.732 402.172 1.00 0.00 C ATOM 155 O ILE A 10 279.013 137.934 402.303 1.00 0.00 O ATOM 156 CB ILE A 10 279.854 135.733 404.459 1.00 0.00 C ATOM 157 CG1 ILE A 10 279.404 134.967 405.748 1.00 0.00 C ATOM 158 CG2 ILE A 10 280.210 137.140 405.003 1.00 0.00 C ATOM 159 CD1 ILE A 10 279.793 133.495 405.921 1.00 0.00 C ATOM 0 H ILE A 10 279.297 133.849 402.610 1.00 0.00 H new ATOM 0 HA ILE A 10 277.882 136.151 403.734 1.00 0.00 H new ATOM 0 HB ILE A 10 280.687 135.236 403.963 1.00 0.00 H new ATOM 0 HG12 ILE A 10 279.796 135.512 406.607 1.00 0.00 H new ATOM 0 HG13 ILE A 10 278.317 135.027 405.802 1.00 0.00 H new ATOM 0 HG21 ILE A 10 280.945 137.046 405.802 1.00 0.00 H new ATOM 0 HG22 ILE A 10 280.624 137.747 404.198 1.00 0.00 H new ATOM 0 HG23 ILE A 10 279.311 137.618 405.392 1.00 0.00 H new ATOM 0 HD11 ILE A 10 279.400 133.124 406.867 1.00 0.00 H new ATOM 0 HD12 ILE A 10 279.377 132.910 405.101 1.00 0.00 H new ATOM 0 HD13 ILE A 10 280.879 133.403 405.918 1.00 0.00 H new ATOM 171 N PHE A 11 279.945 136.313 401.052 1.00 0.00 N ATOM 172 CA PHE A 11 280.599 137.299 400.147 1.00 0.00 C ATOM 173 C PHE A 11 280.022 137.358 398.733 1.00 0.00 C ATOM 174 O PHE A 11 280.000 138.421 398.109 1.00 0.00 O ATOM 175 CB PHE A 11 282.165 137.137 400.107 1.00 0.00 C ATOM 176 CG PHE A 11 282.757 137.036 401.490 1.00 0.00 C ATOM 177 CD1 PHE A 11 282.534 138.022 402.437 1.00 0.00 C ATOM 178 CD2 PHE A 11 283.556 135.961 401.838 1.00 0.00 C ATOM 179 CE1 PHE A 11 283.063 137.912 403.707 1.00 0.00 C ATOM 180 CE2 PHE A 11 284.086 135.850 403.107 1.00 0.00 C ATOM 181 CZ PHE A 11 283.845 136.830 404.040 1.00 0.00 C ATOM 0 H PHE A 11 280.058 135.338 400.775 1.00 0.00 H new ATOM 0 HA PHE A 11 280.363 138.261 400.602 1.00 0.00 H new ATOM 0 HB2 PHE A 11 282.423 136.245 399.536 1.00 0.00 H new ATOM 0 HB3 PHE A 11 282.604 137.987 399.586 1.00 0.00 H new ATOM 0 HD1 PHE A 11 281.940 138.886 402.179 1.00 0.00 H new ATOM 0 HD2 PHE A 11 283.768 135.197 401.105 1.00 0.00 H new ATOM 0 HE1 PHE A 11 282.862 138.678 404.442 1.00 0.00 H new ATOM 0 HE2 PHE A 11 284.690 134.993 403.367 1.00 0.00 H new ATOM 0 HZ PHE A 11 284.268 136.751 405.031 1.00 0.00 H new ATOM 191 N GLY A 12 279.493 136.227 398.204 1.00 0.00 N ATOM 192 CA GLY A 12 278.694 136.238 396.963 1.00 0.00 C ATOM 193 C GLY A 12 279.056 135.284 395.846 1.00 0.00 C ATOM 194 O GLY A 12 279.295 134.095 396.042 1.00 0.00 O ATOM 0 H GLY A 12 279.607 135.302 398.619 1.00 0.00 H new ATOM 0 HA2 GLY A 12 277.657 136.044 397.238 1.00 0.00 H new ATOM 0 HA3 GLY A 12 278.732 137.249 396.557 1.00 0.00 H new ATOM 198 N GLU A 13 279.040 135.791 394.583 1.00 0.00 N ATOM 199 CA GLU A 13 279.136 135.064 393.314 1.00 0.00 C ATOM 200 C GLU A 13 280.415 134.312 392.936 1.00 0.00 C ATOM 201 O GLU A 13 280.364 133.362 392.160 1.00 0.00 O ATOM 202 CB GLU A 13 278.717 136.011 392.152 1.00 0.00 C ATOM 203 CG GLU A 13 279.613 137.255 391.980 1.00 0.00 C ATOM 204 CD GLU A 13 279.085 138.113 390.831 1.00 0.00 C ATOM 205 OE1 GLU A 13 277.938 138.622 390.949 1.00 0.00 O ATOM 206 OE2 GLU A 13 279.821 138.272 389.820 1.00 0.00 O1- ATOM 0 H GLU A 13 278.953 136.795 394.428 1.00 0.00 H new ATOM 0 HA GLU A 13 278.455 134.230 393.487 1.00 0.00 H new ATOM 0 HB2 GLU A 13 278.722 135.445 391.220 1.00 0.00 H new ATOM 0 HB3 GLU A 13 277.691 136.339 392.321 1.00 0.00 H new ATOM 0 HG2 GLU A 13 279.628 137.835 392.903 1.00 0.00 H new ATOM 0 HG3 GLU A 13 280.640 136.951 391.778 1.00 0.00 H new ATOM 213 N LYS A 14 281.585 134.706 393.470 1.00 0.00 N ATOM 214 CA LYS A 14 282.865 134.072 393.236 1.00 0.00 C ATOM 215 C LYS A 14 283.539 134.258 394.569 1.00 0.00 C ATOM 216 O LYS A 14 283.030 135.011 395.400 1.00 0.00 O ATOM 217 CB LYS A 14 283.665 134.757 392.086 1.00 0.00 C ATOM 218 CG LYS A 14 284.831 133.933 391.507 1.00 0.00 C ATOM 219 CD LYS A 14 285.790 134.778 390.647 1.00 0.00 C ATOM 220 CE LYS A 14 286.654 133.961 389.674 1.00 0.00 C ATOM 221 NZ LYS A 14 285.832 133.290 388.639 1.00 0.00 N1+ ATOM 0 H LYS A 14 281.652 135.507 394.098 1.00 0.00 H new ATOM 0 HA LYS A 14 282.786 133.033 392.915 1.00 0.00 H new ATOM 0 HB2 LYS A 14 282.974 134.994 391.277 1.00 0.00 H new ATOM 0 HB3 LYS A 14 284.060 135.703 392.455 1.00 0.00 H new ATOM 0 HG2 LYS A 14 285.389 133.478 392.325 1.00 0.00 H new ATOM 0 HG3 LYS A 14 284.430 133.119 390.903 1.00 0.00 H new ATOM 0 HD2 LYS A 14 285.207 135.501 390.077 1.00 0.00 H new ATOM 0 HD3 LYS A 14 286.445 135.347 391.307 1.00 0.00 H new ATOM 0 HE2 LYS A 14 287.379 134.617 389.193 1.00 0.00 H new ATOM 0 HE3 LYS A 14 287.220 133.213 390.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 285.993 132.263 388.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 284.826 133.489 388.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 286.099 133.646 387.699 1.00 0.00 H new ATOM 235 N LEU A 15 284.709 133.627 394.831 1.00 0.00 N ATOM 236 CA LEU A 15 285.421 133.738 396.100 1.00 0.00 C ATOM 237 C LEU A 15 286.166 135.077 396.264 1.00 0.00 C ATOM 238 O LEU A 15 286.616 135.628 395.257 1.00 0.00 O ATOM 239 CB LEU A 15 286.479 132.606 396.179 1.00 0.00 C ATOM 240 CG LEU A 15 285.905 131.256 396.604 1.00 0.00 C ATOM 241 CD1 LEU A 15 285.582 130.352 395.415 1.00 0.00 C ATOM 242 CD2 LEU A 15 286.882 130.558 397.543 1.00 0.00 C ATOM 0 H LEU A 15 285.178 133.025 394.154 1.00 0.00 H new ATOM 0 HA LEU A 15 284.671 133.668 396.888 1.00 0.00 H new ATOM 0 HB2 LEU A 15 286.955 132.498 395.205 1.00 0.00 H new ATOM 0 HB3 LEU A 15 287.258 132.898 396.884 1.00 0.00 H new ATOM 0 HG LEU A 15 284.964 131.449 397.119 1.00 0.00 H new ATOM 0 HD11 LEU A 15 285.177 129.407 395.776 1.00 0.00 H new ATOM 0 HD12 LEU A 15 284.847 130.841 394.776 1.00 0.00 H new ATOM 0 HD13 LEU A 15 286.491 130.163 394.844 1.00 0.00 H new ATOM 0 HD21 LEU A 15 286.471 129.595 397.845 1.00 0.00 H new ATOM 0 HD22 LEU A 15 287.831 130.403 397.030 1.00 0.00 H new ATOM 0 HD23 LEU A 15 287.043 131.177 398.426 1.00 0.00 H new ATOM 254 N PRO A 16 286.377 135.598 397.483 1.00 0.00 N ATOM 255 CA PRO A 16 287.033 136.871 397.739 1.00 0.00 C ATOM 256 C PRO A 16 288.551 136.746 397.830 1.00 0.00 C ATOM 257 O PRO A 16 289.105 135.664 397.714 1.00 0.00 O ATOM 258 CB PRO A 16 286.484 137.208 399.126 1.00 0.00 C ATOM 259 CG PRO A 16 286.494 135.857 399.852 1.00 0.00 C ATOM 260 CD PRO A 16 285.945 134.966 398.735 1.00 0.00 C ATOM 0 HA PRO A 16 286.849 137.603 396.953 1.00 0.00 H new ATOM 0 HB2 PRO A 16 287.106 137.943 399.637 1.00 0.00 H new ATOM 0 HB3 PRO A 16 285.479 137.626 399.069 1.00 0.00 H new ATOM 0 HG2 PRO A 16 287.493 135.561 400.171 1.00 0.00 H new ATOM 0 HG3 PRO A 16 285.861 135.854 400.740 1.00 0.00 H new ATOM 0 HD2 PRO A 16 286.333 133.951 398.816 1.00 0.00 H new ATOM 0 HD3 PRO A 16 284.858 134.897 398.786 1.00 0.00 H new ATOM 268 N GLU A 17 289.222 137.883 398.102 1.00 0.00 N ATOM 269 CA GLU A 17 290.655 138.051 398.289 1.00 0.00 C ATOM 270 C GLU A 17 291.219 137.451 399.610 1.00 0.00 C ATOM 271 O GLU A 17 290.526 137.299 400.625 1.00 0.00 O ATOM 272 CB GLU A 17 290.955 139.573 398.261 1.00 0.00 C ATOM 273 CG GLU A 17 290.670 140.345 396.949 1.00 0.00 C ATOM 274 CD GLU A 17 289.180 140.483 396.625 1.00 0.00 C ATOM 275 OE1 GLU A 17 288.445 141.076 397.460 1.00 0.00 O ATOM 276 OE2 GLU A 17 288.760 140.000 395.539 1.00 0.00 O1- ATOM 0 H GLU A 17 288.727 138.769 398.202 1.00 0.00 H new ATOM 0 HA GLU A 17 291.146 137.502 397.486 1.00 0.00 H new ATOM 0 HB2 GLU A 17 290.377 140.042 399.057 1.00 0.00 H new ATOM 0 HB3 GLU A 17 292.008 139.711 398.508 1.00 0.00 H new ATOM 0 HG2 GLU A 17 291.110 141.339 397.020 1.00 0.00 H new ATOM 0 HG3 GLU A 17 291.166 139.835 396.123 1.00 0.00 H new ATOM 283 N SER A 18 292.547 137.123 399.640 1.00 0.00 N ATOM 284 CA SER A 18 293.235 136.475 400.779 1.00 0.00 C ATOM 285 C SER A 18 293.297 137.195 402.133 1.00 0.00 C ATOM 286 O SER A 18 293.383 136.532 403.163 1.00 0.00 O ATOM 287 CB SER A 18 294.607 135.818 400.428 1.00 0.00 C ATOM 288 OG SER A 18 295.744 136.662 400.607 1.00 0.00 O ATOM 0 H SER A 18 293.171 137.309 398.855 1.00 0.00 H new ATOM 0 HA SER A 18 292.501 135.690 400.960 1.00 0.00 H new ATOM 0 HB2 SER A 18 294.734 134.927 401.043 1.00 0.00 H new ATOM 0 HB3 SER A 18 294.579 135.487 399.390 1.00 0.00 H new ATOM 0 HG SER A 18 296.557 136.171 400.366 1.00 0.00 H new ATOM 294 N HIS A 19 293.195 138.568 402.163 1.00 0.00 N ATOM 295 CA HIS A 19 293.123 139.418 403.370 1.00 0.00 C ATOM 296 C HIS A 19 291.893 139.098 404.215 1.00 0.00 C ATOM 297 O HIS A 19 292.008 138.864 405.410 1.00 0.00 O ATOM 298 CB HIS A 19 293.245 140.954 403.102 1.00 0.00 C ATOM 299 CG HIS A 19 292.136 141.563 402.277 1.00 0.00 C ATOM 300 ND1 HIS A 19 291.518 141.050 401.187 1.00 0.00 N flip ATOM 301 CD2 HIS A 19 291.513 142.771 402.517 1.00 0.00 C flip ATOM 302 CE1 HIS A 19 290.511 141.882 400.753 1.00 0.00 C flip ATOM 303 NE2 HIS A 19 290.536 142.899 401.580 1.00 0.00 N flip ATOM 0 H HIS A 19 293.161 139.118 401.304 1.00 0.00 H new ATOM 0 HA HIS A 19 294.015 139.159 403.940 1.00 0.00 H new ATOM 0 HB2 HIS A 19 293.285 141.470 404.061 1.00 0.00 H new ATOM 0 HB3 HIS A 19 294.193 141.143 402.599 1.00 0.00 H new ATOM 0 HD2 HIS A 19 291.755 143.477 403.297 1.00 0.00 H new ATOM 0 HE1 HIS A 19 289.846 141.730 399.915 1.00 0.00 H new ATOM 0 HE2 HIS A 19 289.898 143.693 401.527 1.00 0.00 H new ATOM 311 N ILE A 20 290.690 138.968 403.575 1.00 0.00 N ATOM 312 CA ILE A 20 289.514 138.373 404.220 1.00 0.00 C ATOM 313 C ILE A 20 289.533 136.851 404.294 1.00 0.00 C ATOM 314 O ILE A 20 289.180 136.312 405.343 1.00 0.00 O ATOM 315 CB ILE A 20 288.135 138.833 403.754 1.00 0.00 C ATOM 316 CG1 ILE A 20 287.820 138.588 402.273 1.00 0.00 C ATOM 317 CG2 ILE A 20 287.934 140.332 404.016 1.00 0.00 C ATOM 318 CD1 ILE A 20 286.305 138.523 402.116 1.00 0.00 C ATOM 0 H ILE A 20 290.527 139.272 402.615 1.00 0.00 H new ATOM 0 HA ILE A 20 289.642 138.792 405.218 1.00 0.00 H new ATOM 0 HB ILE A 20 287.455 138.215 404.341 1.00 0.00 H new ATOM 0 HG12 ILE A 20 288.232 139.388 401.659 1.00 0.00 H new ATOM 0 HG13 ILE A 20 288.278 137.658 401.935 1.00 0.00 H new ATOM 0 HG21 ILE A 20 286.943 140.631 403.674 1.00 0.00 H new ATOM 0 HG22 ILE A 20 288.024 140.530 405.084 1.00 0.00 H new ATOM 0 HG23 ILE A 20 288.691 140.900 403.476 1.00 0.00 H new ATOM 0 HD11 ILE A 20 286.055 138.349 401.069 1.00 0.00 H new ATOM 0 HD12 ILE A 20 285.911 137.708 402.723 1.00 0.00 H new ATOM 0 HD13 ILE A 20 285.865 139.465 402.443 1.00 0.00 H new ATOM 330 N PHE A 21 289.932 136.083 403.224 1.00 0.00 N ATOM 331 CA PHE A 21 289.894 134.612 403.259 1.00 0.00 C ATOM 332 C PHE A 21 290.851 133.993 404.327 1.00 0.00 C ATOM 333 O PHE A 21 290.399 133.210 405.162 1.00 0.00 O ATOM 334 CB PHE A 21 289.928 134.024 401.789 1.00 0.00 C ATOM 335 CG PHE A 21 289.618 132.544 401.546 1.00 0.00 C ATOM 336 CD1 PHE A 21 289.553 132.054 400.238 1.00 0.00 C ATOM 337 CD2 PHE A 21 289.455 131.613 402.556 1.00 0.00 C ATOM 338 CE1 PHE A 21 289.466 130.681 400.003 1.00 0.00 C ATOM 339 CE2 PHE A 21 289.508 130.268 402.306 1.00 0.00 C ATOM 340 CZ PHE A 21 289.511 129.778 401.041 1.00 0.00 C ATOM 0 H PHE A 21 290.276 136.471 402.346 1.00 0.00 H new ATOM 0 HA PHE A 21 288.934 134.275 403.649 1.00 0.00 H new ATOM 0 HB2 PHE A 21 289.224 134.604 401.192 1.00 0.00 H new ATOM 0 HB3 PHE A 21 290.922 134.217 401.386 1.00 0.00 H new ATOM 0 HD1 PHE A 21 289.570 132.742 399.405 1.00 0.00 H new ATOM 0 HD2 PHE A 21 289.282 131.955 403.566 1.00 0.00 H new ATOM 0 HE1 PHE A 21 289.362 130.321 398.990 1.00 0.00 H new ATOM 0 HE2 PHE A 21 289.548 129.579 403.137 1.00 0.00 H new ATOM 0 HZ PHE A 21 289.547 128.715 400.855 1.00 0.00 H new ATOM 350 N PHE A 22 292.162 134.378 404.392 1.00 0.00 N ATOM 351 CA PHE A 22 293.131 133.880 405.393 1.00 0.00 C ATOM 352 C PHE A 22 292.928 134.484 406.806 1.00 0.00 C ATOM 353 O PHE A 22 293.422 133.911 407.778 1.00 0.00 O ATOM 354 CB PHE A 22 294.662 134.018 404.957 1.00 0.00 C ATOM 355 CG PHE A 22 295.247 132.853 404.142 1.00 0.00 C ATOM 356 CD1 PHE A 22 295.983 133.044 402.973 1.00 0.00 C ATOM 357 CD2 PHE A 22 295.165 131.546 404.594 1.00 0.00 C ATOM 358 CE1 PHE A 22 296.441 131.973 402.211 1.00 0.00 C ATOM 359 CE2 PHE A 22 295.605 130.478 403.838 1.00 0.00 C ATOM 360 CZ PHE A 22 296.152 130.678 402.601 1.00 0.00 C ATOM 0 H PHE A 22 292.569 135.049 403.741 1.00 0.00 H new ATOM 0 HA PHE A 22 292.905 132.815 405.443 1.00 0.00 H new ATOM 0 HB2 PHE A 22 294.770 134.932 404.373 1.00 0.00 H new ATOM 0 HB3 PHE A 22 295.264 134.142 405.857 1.00 0.00 H new ATOM 0 HD1 PHE A 22 296.204 134.051 402.650 1.00 0.00 H new ATOM 0 HD2 PHE A 22 294.743 131.356 405.570 1.00 0.00 H new ATOM 0 HE1 PHE A 22 297.021 132.153 401.318 1.00 0.00 H new ATOM 0 HE2 PHE A 22 295.516 129.475 404.228 1.00 0.00 H new ATOM 0 HZ PHE A 22 296.354 129.845 401.944 1.00 0.00 H new ATOM 370 N ALA A 23 292.218 135.649 406.988 1.00 0.00 N ATOM 371 CA ALA A 23 291.999 136.229 408.319 1.00 0.00 C ATOM 372 C ALA A 23 290.566 136.255 408.888 1.00 0.00 C ATOM 373 O ALA A 23 290.415 136.392 410.101 1.00 0.00 O ATOM 374 CB ALA A 23 292.608 137.649 408.379 1.00 0.00 C ATOM 0 H ALA A 23 291.801 136.183 406.226 1.00 0.00 H new ATOM 0 HA ALA A 23 292.506 135.520 408.974 1.00 0.00 H new ATOM 0 HB1 ALA A 23 292.442 138.074 409.369 1.00 0.00 H new ATOM 0 HB2 ALA A 23 293.679 137.594 408.182 1.00 0.00 H new ATOM 0 HB3 ALA A 23 292.133 138.281 407.629 1.00 0.00 H new ATOM 380 N THR A 24 289.471 136.163 408.076 1.00 0.00 N ATOM 381 CA THR A 24 288.074 136.299 408.545 1.00 0.00 C ATOM 382 C THR A 24 287.387 134.947 408.721 1.00 0.00 C ATOM 383 O THR A 24 287.264 134.172 407.772 1.00 0.00 O ATOM 384 CB THR A 24 287.228 137.165 407.588 1.00 0.00 C ATOM 385 OG1 THR A 24 287.814 138.451 407.428 1.00 0.00 O ATOM 386 CG2 THR A 24 285.793 137.433 408.074 1.00 0.00 C ATOM 0 H THR A 24 289.543 135.991 407.073 1.00 0.00 H new ATOM 0 HA THR A 24 288.138 136.791 409.516 1.00 0.00 H new ATOM 0 HB THR A 24 287.197 136.585 406.665 1.00 0.00 H new ATOM 0 HG1 THR A 24 287.266 138.986 406.817 1.00 0.00 H new ATOM 0 HG21 THR A 24 285.270 138.048 407.342 1.00 0.00 H new ATOM 0 HG22 THR A 24 285.267 136.486 408.194 1.00 0.00 H new ATOM 0 HG23 THR A 24 285.824 137.955 409.030 1.00 0.00 H new ATOM 394 N VAL A 25 286.838 134.641 409.946 1.00 0.00 N ATOM 395 CA VAL A 25 286.073 133.452 410.425 1.00 0.00 C ATOM 396 C VAL A 25 284.968 133.009 409.495 1.00 0.00 C ATOM 397 O VAL A 25 284.783 131.815 409.294 1.00 0.00 O ATOM 398 CB VAL A 25 285.410 133.651 411.814 1.00 0.00 C ATOM 399 CG1 VAL A 25 284.687 132.380 412.340 1.00 0.00 C ATOM 400 CG2 VAL A 25 286.454 134.093 412.864 1.00 0.00 C ATOM 0 H VAL A 25 286.939 135.311 410.708 1.00 0.00 H new ATOM 0 HA VAL A 25 286.852 132.691 410.475 1.00 0.00 H new ATOM 0 HB VAL A 25 284.659 134.428 411.669 1.00 0.00 H new ATOM 0 HG11 VAL A 25 284.246 132.589 413.315 1.00 0.00 H new ATOM 0 HG12 VAL A 25 283.902 132.092 411.641 1.00 0.00 H new ATOM 0 HG13 VAL A 25 285.405 131.565 412.434 1.00 0.00 H new ATOM 0 HG21 VAL A 25 285.965 134.226 413.829 1.00 0.00 H new ATOM 0 HG22 VAL A 25 287.228 133.330 412.951 1.00 0.00 H new ATOM 0 HG23 VAL A 25 286.906 135.035 412.553 1.00 0.00 H new ATOM 410 N ALA A 26 284.291 133.987 408.812 1.00 0.00 N ATOM 411 CA ALA A 26 283.292 133.865 407.753 1.00 0.00 C ATOM 412 C ALA A 26 283.735 132.924 406.636 1.00 0.00 C ATOM 413 O ALA A 26 282.945 132.142 406.143 1.00 0.00 O ATOM 414 CB ALA A 26 282.994 135.256 407.154 1.00 0.00 C ATOM 0 H ALA A 26 284.465 134.968 409.028 1.00 0.00 H new ATOM 0 HA ALA A 26 282.395 133.442 408.207 1.00 0.00 H new ATOM 0 HB1 ALA A 26 282.248 135.160 406.365 1.00 0.00 H new ATOM 0 HB2 ALA A 26 282.613 135.914 407.935 1.00 0.00 H new ATOM 0 HB3 ALA A 26 283.910 135.677 406.739 1.00 0.00 H new ATOM 420 N ALA A 27 285.044 132.896 406.312 1.00 0.00 N ATOM 421 CA ALA A 27 285.622 131.875 405.468 1.00 0.00 C ATOM 422 C ALA A 27 286.514 130.924 406.292 1.00 0.00 C ATOM 423 O ALA A 27 286.474 129.707 406.135 1.00 0.00 O ATOM 424 CB ALA A 27 286.448 132.639 404.413 1.00 0.00 C ATOM 0 H ALA A 27 285.717 133.590 406.638 1.00 0.00 H new ATOM 0 HA ALA A 27 284.859 131.250 405.004 1.00 0.00 H new ATOM 0 HB1 ALA A 27 286.918 131.928 403.734 1.00 0.00 H new ATOM 0 HB2 ALA A 27 285.793 133.301 403.847 1.00 0.00 H new ATOM 0 HB3 ALA A 27 287.218 133.229 404.911 1.00 0.00 H new ATOM 430 N HIS A 28 287.314 131.418 407.274 1.00 0.00 N ATOM 431 CA HIS A 28 288.279 130.626 408.064 1.00 0.00 C ATOM 432 C HIS A 28 287.775 129.477 408.951 1.00 0.00 C ATOM 433 O HIS A 28 288.532 128.580 409.311 1.00 0.00 O ATOM 434 CB HIS A 28 289.308 131.499 408.808 1.00 0.00 C ATOM 435 CG HIS A 28 290.594 130.756 409.149 1.00 0.00 C ATOM 436 ND1 HIS A 28 291.477 131.242 410.084 1.00 0.00 N ATOM 437 CD2 HIS A 28 291.163 129.600 408.671 1.00 0.00 C ATOM 438 CE1 HIS A 28 292.510 130.368 410.151 1.00 0.00 C ATOM 439 NE2 HIS A 28 292.358 129.355 409.323 1.00 0.00 N ATOM 0 H HIS A 28 287.301 132.403 407.540 1.00 0.00 H new ATOM 0 HA HIS A 28 288.762 130.079 407.254 1.00 0.00 H new ATOM 0 HB2 HIS A 28 289.550 132.367 408.194 1.00 0.00 H new ATOM 0 HB3 HIS A 28 288.859 131.874 409.727 1.00 0.00 H new ATOM 0 HD2 HIS A 28 290.739 128.974 407.899 1.00 0.00 H new ATOM 0 HE1 HIS A 28 293.359 130.488 410.807 1.00 0.00 H new ATOM 0 HE2 HIS A 28 292.986 128.562 409.191 1.00 0.00 H new ATOM 447 N LYS A 29 286.450 129.451 409.278 1.00 0.00 N ATOM 448 CA LYS A 29 285.717 128.396 409.989 1.00 0.00 C ATOM 449 C LYS A 29 285.740 127.021 409.294 1.00 0.00 C ATOM 450 O LYS A 29 285.507 125.980 409.896 1.00 0.00 O ATOM 451 CB LYS A 29 284.225 128.857 410.203 1.00 0.00 C ATOM 452 CG LYS A 29 283.314 128.928 408.939 1.00 0.00 C ATOM 453 CD LYS A 29 282.268 130.057 408.840 1.00 0.00 C ATOM 454 CE LYS A 29 281.558 130.413 410.153 1.00 0.00 C ATOM 455 NZ LYS A 29 280.588 131.514 409.942 1.00 0.00 N1+ ATOM 0 H LYS A 29 285.837 130.227 409.028 1.00 0.00 H new ATOM 0 HA LYS A 29 286.231 128.255 410.940 1.00 0.00 H new ATOM 0 HB2 LYS A 29 283.760 128.177 410.917 1.00 0.00 H new ATOM 0 HB3 LYS A 29 284.239 129.844 410.665 1.00 0.00 H new ATOM 0 HG2 LYS A 29 283.964 129.003 408.067 1.00 0.00 H new ATOM 0 HG3 LYS A 29 282.784 127.979 408.860 1.00 0.00 H new ATOM 0 HD2 LYS A 29 282.759 130.952 408.458 1.00 0.00 H new ATOM 0 HD3 LYS A 29 281.515 129.769 408.106 1.00 0.00 H new ATOM 0 HE2 LYS A 29 281.041 129.536 410.542 1.00 0.00 H new ATOM 0 HE3 LYS A 29 282.293 130.708 410.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 280.501 132.072 410.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 280.921 132.127 409.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 279.660 131.116 409.692 1.00 0.00 H new ATOM 469 N TYR A 30 285.993 127.061 407.965 1.00 0.00 N ATOM 470 CA TYR A 30 285.979 126.018 406.957 1.00 0.00 C ATOM 471 C TYR A 30 287.364 125.522 406.535 1.00 0.00 C ATOM 472 O TYR A 30 287.693 124.363 406.770 1.00 0.00 O ATOM 473 CB TYR A 30 285.183 126.641 405.783 1.00 0.00 C ATOM 474 CG TYR A 30 283.691 126.447 405.856 1.00 0.00 C ATOM 475 CD1 TYR A 30 282.967 126.736 404.727 1.00 0.00 C ATOM 476 CD2 TYR A 30 282.980 126.218 407.026 1.00 0.00 C ATOM 477 CE1 TYR A 30 281.609 126.877 404.772 1.00 0.00 C ATOM 478 CE2 TYR A 30 281.617 126.432 407.081 1.00 0.00 C ATOM 479 CZ TYR A 30 280.916 126.783 405.956 1.00 0.00 C ATOM 480 OH TYR A 30 279.520 126.986 406.036 1.00 0.00 O ATOM 0 H TYR A 30 286.243 127.952 407.537 1.00 0.00 H new ATOM 0 HA TYR A 30 285.521 125.108 407.344 1.00 0.00 H new ATOM 0 HB2 TYR A 30 285.395 127.710 405.746 1.00 0.00 H new ATOM 0 HB3 TYR A 30 285.545 126.212 404.849 1.00 0.00 H new ATOM 0 HD1 TYR A 30 283.481 126.854 403.784 1.00 0.00 H new ATOM 0 HD2 TYR A 30 283.500 125.868 407.905 1.00 0.00 H new ATOM 0 HE1 TYR A 30 281.067 127.067 403.857 1.00 0.00 H new ATOM 0 HE2 TYR A 30 281.097 126.322 408.021 1.00 0.00 H new ATOM 0 HH TYR A 30 279.226 126.873 406.964 1.00 0.00 H new ATOM 490 N VAL A 31 288.203 126.366 405.871 1.00 0.00 N ATOM 491 CA VAL A 31 289.578 126.084 405.450 1.00 0.00 C ATOM 492 C VAL A 31 290.169 127.455 405.359 1.00 0.00 C ATOM 493 O VAL A 31 289.390 128.387 405.185 1.00 0.00 O ATOM 494 CB VAL A 31 289.876 125.371 404.097 1.00 0.00 C ATOM 495 CG1 VAL A 31 288.809 124.317 403.771 1.00 0.00 C ATOM 496 CG2 VAL A 31 290.371 126.227 402.871 1.00 0.00 C ATOM 0 H VAL A 31 287.909 127.307 405.608 1.00 0.00 H new ATOM 0 HA VAL A 31 289.969 125.359 406.164 1.00 0.00 H new ATOM 0 HB VAL A 31 290.815 124.855 404.298 1.00 0.00 H new ATOM 0 HG11 VAL A 31 289.048 123.839 402.821 1.00 0.00 H new ATOM 0 HG12 VAL A 31 288.787 123.565 404.560 1.00 0.00 H new ATOM 0 HG13 VAL A 31 287.833 124.797 403.700 1.00 0.00 H new ATOM 0 HG21 VAL A 31 290.530 125.575 402.012 1.00 0.00 H new ATOM 0 HG22 VAL A 31 289.619 126.976 402.623 1.00 0.00 H new ATOM 0 HG23 VAL A 31 291.307 126.723 403.128 1.00 0.00 H new ATOM 506 N PRO A 32 291.471 127.697 405.454 1.00 0.00 N ATOM 507 CA PRO A 32 291.957 129.067 405.411 1.00 0.00 C ATOM 508 C PRO A 32 292.207 129.797 404.089 1.00 0.00 C ATOM 509 O PRO A 32 291.910 130.981 404.081 1.00 0.00 O ATOM 510 CB PRO A 32 293.381 128.796 406.013 1.00 0.00 C ATOM 511 CG PRO A 32 293.770 127.374 405.623 1.00 0.00 C ATOM 512 CD PRO A 32 292.445 126.704 405.896 1.00 0.00 C ATOM 0 HA PRO A 32 291.209 129.715 405.869 1.00 0.00 H new ATOM 0 HB2 PRO A 32 294.105 129.513 405.627 1.00 0.00 H new ATOM 0 HB3 PRO A 32 293.369 128.908 407.097 1.00 0.00 H new ATOM 0 HG2 PRO A 32 294.081 127.290 404.582 1.00 0.00 H new ATOM 0 HG3 PRO A 32 294.581 126.974 406.232 1.00 0.00 H new ATOM 0 HD2 PRO A 32 292.345 125.769 405.344 1.00 0.00 H new ATOM 0 HD3 PRO A 32 292.325 126.465 406.953 1.00 0.00 H new ATOM 520 N SER A 33 292.772 129.163 403.035 1.00 0.00 N ATOM 521 CA SER A 33 293.150 129.762 401.754 1.00 0.00 C ATOM 522 C SER A 33 293.816 128.750 400.848 1.00 0.00 C ATOM 523 O SER A 33 293.846 127.548 401.164 1.00 0.00 O ATOM 524 CB SER A 33 293.291 131.313 401.467 1.00 0.00 C ATOM 525 OG SER A 33 292.431 131.772 400.428 1.00 0.00 O ATOM 0 H SER A 33 292.984 128.166 403.067 1.00 0.00 H new ATOM 0 HA SER A 33 292.177 130.116 401.413 1.00 0.00 H new ATOM 0 HB2 SER A 33 293.074 131.866 402.381 1.00 0.00 H new ATOM 0 HB3 SER A 33 294.324 131.534 401.199 1.00 0.00 H new ATOM 0 HG SER A 33 291.568 132.035 400.810 1.00 0.00 H new ATOM 531 N TYR A 34 294.350 129.190 399.659 1.00 0.00 N ATOM 532 CA TYR A 34 295.060 128.471 398.550 1.00 0.00 C ATOM 533 C TYR A 34 296.130 127.422 398.961 1.00 0.00 C ATOM 534 O TYR A 34 296.415 126.464 398.239 1.00 0.00 O ATOM 535 CB TYR A 34 295.737 129.499 397.594 1.00 0.00 C ATOM 536 CG TYR A 34 294.822 130.660 397.289 1.00 0.00 C ATOM 537 CD1 TYR A 34 294.932 131.778 398.090 1.00 0.00 C ATOM 538 CD2 TYR A 34 293.891 130.656 396.253 1.00 0.00 C ATOM 539 CE1 TYR A 34 294.127 132.860 397.858 1.00 0.00 C ATOM 540 CE2 TYR A 34 293.113 131.774 395.963 1.00 0.00 C ATOM 541 CZ TYR A 34 293.255 132.864 396.807 1.00 0.00 C ATOM 542 OH TYR A 34 292.628 134.079 396.528 1.00 0.00 O ATOM 0 H TYR A 34 294.282 130.182 399.431 1.00 0.00 H new ATOM 0 HA TYR A 34 294.263 127.902 398.071 1.00 0.00 H new ATOM 0 HB2 TYR A 34 296.656 129.869 398.048 1.00 0.00 H new ATOM 0 HB3 TYR A 34 296.018 129.003 396.665 1.00 0.00 H new ATOM 0 HD1 TYR A 34 295.650 131.799 398.896 1.00 0.00 H new ATOM 0 HD2 TYR A 34 293.769 129.762 395.659 1.00 0.00 H new ATOM 0 HE1 TYR A 34 294.182 133.718 398.512 1.00 0.00 H new ATOM 0 HE2 TYR A 34 292.434 131.791 395.123 1.00 0.00 H new ATOM 0 HH TYR A 34 291.660 133.941 396.468 1.00 0.00 H new ATOM 552 N ALA A 35 296.631 127.552 400.219 1.00 0.00 N ATOM 553 CA ALA A 35 297.489 126.681 401.007 1.00 0.00 C ATOM 554 C ALA A 35 296.847 125.371 401.397 1.00 0.00 C ATOM 555 O ALA A 35 297.381 124.292 401.153 1.00 0.00 O ATOM 556 CB ALA A 35 297.836 127.419 402.347 1.00 0.00 C ATOM 0 H ALA A 35 296.400 128.387 400.757 1.00 0.00 H new ATOM 0 HA ALA A 35 298.356 126.461 400.384 1.00 0.00 H new ATOM 0 HB1 ALA A 35 298.480 126.784 402.956 1.00 0.00 H new ATOM 0 HB2 ALA A 35 298.352 128.353 402.125 1.00 0.00 H new ATOM 0 HB3 ALA A 35 296.917 127.634 402.893 1.00 0.00 H new ATOM 562 N PHE A 36 295.604 125.457 401.952 1.00 0.00 N ATOM 563 CA PHE A 36 294.733 124.332 402.229 1.00 0.00 C ATOM 564 C PHE A 36 294.150 123.855 400.897 1.00 0.00 C ATOM 565 O PHE A 36 294.074 122.655 400.666 1.00 0.00 O ATOM 566 CB PHE A 36 293.660 124.677 403.308 1.00 0.00 C ATOM 567 CG PHE A 36 292.815 123.458 403.699 1.00 0.00 C ATOM 568 CD1 PHE A 36 293.050 122.784 404.884 1.00 0.00 C ATOM 569 CD2 PHE A 36 291.777 122.993 402.893 1.00 0.00 C ATOM 570 CE1 PHE A 36 292.264 121.710 405.258 1.00 0.00 C ATOM 571 CE2 PHE A 36 290.984 121.925 403.263 1.00 0.00 C ATOM 572 CZ PHE A 36 291.220 121.288 404.458 1.00 0.00 C ATOM 0 H PHE A 36 295.190 126.350 402.218 1.00 0.00 H new ATOM 0 HA PHE A 36 295.294 123.510 402.673 1.00 0.00 H new ATOM 0 HB2 PHE A 36 294.154 125.073 404.195 1.00 0.00 H new ATOM 0 HB3 PHE A 36 293.007 125.463 402.929 1.00 0.00 H new ATOM 0 HD1 PHE A 36 293.859 123.101 405.526 1.00 0.00 H new ATOM 0 HD2 PHE A 36 291.587 123.483 401.950 1.00 0.00 H new ATOM 0 HE1 PHE A 36 292.468 121.196 406.185 1.00 0.00 H new ATOM 0 HE2 PHE A 36 290.184 121.592 402.618 1.00 0.00 H new ATOM 0 HZ PHE A 36 290.594 120.464 404.769 1.00 0.00 H new ATOM 582 N LEU A 37 293.785 124.800 399.966 1.00 0.00 N ATOM 583 CA LEU A 37 293.259 124.402 398.628 1.00 0.00 C ATOM 584 C LEU A 37 294.181 123.553 397.726 1.00 0.00 C ATOM 585 O LEU A 37 293.707 122.639 397.050 1.00 0.00 O ATOM 586 CB LEU A 37 292.764 125.555 397.710 1.00 0.00 C ATOM 587 CG LEU A 37 292.193 126.785 398.414 1.00 0.00 C ATOM 588 CD1 LEU A 37 291.812 127.851 397.402 1.00 0.00 C ATOM 589 CD2 LEU A 37 291.126 126.721 399.495 1.00 0.00 C ATOM 0 H LEU A 37 293.845 125.807 400.117 1.00 0.00 H new ATOM 0 HA LEU A 37 292.428 123.798 398.993 1.00 0.00 H new ATOM 0 HB2 LEU A 37 293.597 125.875 397.084 1.00 0.00 H new ATOM 0 HB3 LEU A 37 291.999 125.157 397.043 1.00 0.00 H new ATOM 0 HG LEU A 37 293.060 127.002 399.037 1.00 0.00 H new ATOM 0 HD11 LEU A 37 291.407 128.719 397.923 1.00 0.00 H new ATOM 0 HD12 LEU A 37 292.695 128.147 396.835 1.00 0.00 H new ATOM 0 HD13 LEU A 37 291.060 127.454 396.721 1.00 0.00 H new ATOM 0 HD21 LEU A 37 290.891 127.730 399.835 1.00 0.00 H new ATOM 0 HD22 LEU A 37 290.227 126.255 399.092 1.00 0.00 H new ATOM 0 HD23 LEU A 37 291.494 126.132 400.335 1.00 0.00 H new ATOM 601 N ARG A 38 295.531 123.819 397.709 1.00 0.00 N ATOM 602 CA ARG A 38 296.470 123.033 396.902 1.00 0.00 C ATOM 603 C ARG A 38 296.734 121.626 397.434 1.00 0.00 C ATOM 604 O ARG A 38 296.772 120.665 396.674 1.00 0.00 O ATOM 605 CB ARG A 38 297.774 123.844 396.723 1.00 0.00 C ATOM 606 CG ARG A 38 298.841 123.215 395.810 1.00 0.00 C ATOM 607 CD ARG A 38 299.932 124.222 395.407 1.00 0.00 C ATOM 608 NE ARG A 38 300.629 124.765 396.629 1.00 0.00 N ATOM 609 CZ ARG A 38 301.654 124.130 397.281 1.00 0.00 C ATOM 610 NH1 ARG A 38 302.114 122.915 396.867 1.00 0.00 N1+ ATOM 611 NH2 ARG A 38 302.223 124.729 398.369 1.00 0.00 N ATOM 0 H ARG A 38 295.967 124.568 398.247 1.00 0.00 H new ATOM 0 HA ARG A 38 296.004 122.860 395.932 1.00 0.00 H new ATOM 0 HB2 ARG A 38 297.516 124.825 396.324 1.00 0.00 H new ATOM 0 HB3 ARG A 38 298.216 124.006 397.706 1.00 0.00 H new ATOM 0 HG2 ARG A 38 299.301 122.370 396.322 1.00 0.00 H new ATOM 0 HG3 ARG A 38 298.363 122.823 394.913 1.00 0.00 H new ATOM 0 HD2 ARG A 38 300.657 123.738 394.753 1.00 0.00 H new ATOM 0 HD3 ARG A 38 299.488 125.041 394.841 1.00 0.00 H new ATOM 0 HE ARG A 38 300.317 125.665 396.995 1.00 0.00 H new ATOM 0 HH11 ARG A 38 301.694 122.460 396.056 1.00 0.00 H new ATOM 0 HH12 ARG A 38 302.878 122.461 397.368 1.00 0.00 H new ATOM 0 HH21 ARG A 38 301.884 125.637 398.686 1.00 0.00 H new ATOM 0 HH22 ARG A 38 302.987 124.268 398.864 1.00 0.00 H new ATOM 625 N ARG A 39 296.831 121.493 398.785 1.00 0.00 N ATOM 626 CA ARG A 39 296.919 120.251 399.560 1.00 0.00 C ATOM 627 C ARG A 39 295.606 119.445 399.534 1.00 0.00 C ATOM 628 O ARG A 39 295.617 118.215 399.540 1.00 0.00 O ATOM 629 CB ARG A 39 297.433 120.497 401.008 1.00 0.00 C ATOM 630 CG ARG A 39 298.963 120.707 401.137 1.00 0.00 C ATOM 631 CD ARG A 39 299.580 121.779 400.214 1.00 0.00 C ATOM 632 NE ARG A 39 301.019 122.015 400.591 1.00 0.00 N ATOM 633 CZ ARG A 39 301.432 122.970 401.482 1.00 0.00 C ATOM 634 NH1 ARG A 39 300.536 123.787 402.108 1.00 0.00 N1+ ATOM 635 NH2 ARG A 39 302.765 123.109 401.742 1.00 0.00 N ATOM 0 H ARG A 39 296.850 122.314 399.390 1.00 0.00 H new ATOM 0 HA ARG A 39 297.667 119.632 399.065 1.00 0.00 H new ATOM 0 HB2 ARG A 39 296.927 121.373 401.412 1.00 0.00 H new ATOM 0 HB3 ARG A 39 297.145 119.648 401.628 1.00 0.00 H new ATOM 0 HG2 ARG A 39 299.187 120.973 402.170 1.00 0.00 H new ATOM 0 HG3 ARG A 39 299.458 119.756 400.938 1.00 0.00 H new ATOM 0 HD2 ARG A 39 299.516 121.457 399.175 1.00 0.00 H new ATOM 0 HD3 ARG A 39 299.017 122.709 400.295 1.00 0.00 H new ATOM 0 HE ARG A 39 301.730 121.427 400.156 1.00 0.00 H new ATOM 0 HH11 ARG A 39 299.539 123.693 401.916 1.00 0.00 H new ATOM 0 HH12 ARG A 39 300.864 124.492 402.768 1.00 0.00 H new ATOM 0 HH21 ARG A 39 303.441 122.505 401.275 1.00 0.00 H new ATOM 0 HH22 ARG A 39 303.085 123.817 402.404 1.00 0.00 H new ATOM 649 N GLU A 40 294.436 120.151 399.501 1.00 0.00 N ATOM 650 CA GLU A 40 293.088 119.599 399.398 1.00 0.00 C ATOM 651 C GLU A 40 292.696 119.121 398.002 1.00 0.00 C ATOM 652 O GLU A 40 292.121 118.040 397.893 1.00 0.00 O ATOM 653 CB GLU A 40 292.022 120.605 399.936 1.00 0.00 C ATOM 654 CG GLU A 40 290.545 120.135 399.971 1.00 0.00 C ATOM 655 CD GLU A 40 289.831 120.395 398.643 1.00 0.00 C ATOM 656 OE1 GLU A 40 289.748 121.585 398.238 1.00 0.00 O ATOM 657 OE2 GLU A 40 289.366 119.406 398.017 1.00 0.00 O1- ATOM 0 H GLU A 40 294.429 121.170 399.549 1.00 0.00 H new ATOM 0 HA GLU A 40 293.109 118.708 400.025 1.00 0.00 H new ATOM 0 HB2 GLU A 40 292.308 120.888 400.949 1.00 0.00 H new ATOM 0 HB3 GLU A 40 292.073 121.507 399.326 1.00 0.00 H new ATOM 0 HG2 GLU A 40 290.508 119.070 400.200 1.00 0.00 H new ATOM 0 HG3 GLU A 40 290.019 120.652 400.773 1.00 0.00 H new ATOM 664 N LEU A 41 292.926 119.884 396.881 1.00 0.00 N ATOM 665 CA LEU A 41 292.384 119.392 395.597 1.00 0.00 C ATOM 666 C LEU A 41 293.288 118.424 394.850 1.00 0.00 C ATOM 667 O LEU A 41 292.885 117.867 393.835 1.00 0.00 O ATOM 668 CB LEU A 41 292.147 120.522 394.540 1.00 0.00 C ATOM 669 CG LEU A 41 291.160 121.648 394.926 1.00 0.00 C ATOM 670 CD1 LEU A 41 291.328 122.811 393.935 1.00 0.00 C ATOM 671 CD2 LEU A 41 289.683 121.184 394.912 1.00 0.00 C ATOM 0 H LEU A 41 293.439 120.765 396.849 1.00 0.00 H new ATOM 0 HA LEU A 41 291.463 118.917 395.935 1.00 0.00 H new ATOM 0 HB2 LEU A 41 293.110 120.979 394.311 1.00 0.00 H new ATOM 0 HB3 LEU A 41 291.788 120.057 393.622 1.00 0.00 H new ATOM 0 HG LEU A 41 291.393 121.954 395.946 1.00 0.00 H new ATOM 0 HD11 LEU A 41 290.637 123.613 394.195 1.00 0.00 H new ATOM 0 HD12 LEU A 41 292.351 123.184 393.981 1.00 0.00 H new ATOM 0 HD13 LEU A 41 291.115 122.462 392.925 1.00 0.00 H new ATOM 0 HD21 LEU A 41 289.037 122.017 395.191 1.00 0.00 H new ATOM 0 HD22 LEU A 41 289.419 120.840 393.912 1.00 0.00 H new ATOM 0 HD23 LEU A 41 289.551 120.369 395.623 1.00 0.00 H new ATOM 683 N GLY A 42 294.561 118.243 395.291 1.00 0.00 N ATOM 684 CA GLY A 42 295.569 117.384 394.658 1.00 0.00 C ATOM 685 C GLY A 42 296.149 117.872 393.340 1.00 0.00 C ATOM 686 O GLY A 42 297.138 117.337 392.848 1.00 0.00 O ATOM 0 H GLY A 42 294.915 118.711 396.125 1.00 0.00 H new ATOM 0 HA2 GLY A 42 296.390 117.247 395.362 1.00 0.00 H new ATOM 0 HA3 GLY A 42 295.125 116.403 394.492 1.00 0.00 H new ATOM 690 N LEU A 43 295.519 118.901 392.710 1.00 0.00 N ATOM 691 CA LEU A 43 295.852 119.470 391.418 1.00 0.00 C ATOM 692 C LEU A 43 296.448 120.858 391.486 1.00 0.00 C ATOM 693 O LEU A 43 296.153 121.659 392.374 1.00 0.00 O ATOM 694 CB LEU A 43 294.703 119.343 390.357 1.00 0.00 C ATOM 695 CG LEU A 43 293.797 120.562 390.014 1.00 0.00 C ATOM 696 CD1 LEU A 43 292.866 120.215 388.836 1.00 0.00 C ATOM 697 CD2 LEU A 43 292.962 121.088 391.193 1.00 0.00 C ATOM 0 H LEU A 43 294.719 119.369 393.135 1.00 0.00 H new ATOM 0 HA LEU A 43 296.659 118.838 391.049 1.00 0.00 H new ATOM 0 HB2 LEU A 43 295.162 119.013 389.425 1.00 0.00 H new ATOM 0 HB3 LEU A 43 294.046 118.540 390.691 1.00 0.00 H new ATOM 0 HG LEU A 43 294.481 121.367 389.745 1.00 0.00 H new ATOM 0 HD11 LEU A 43 292.237 121.074 388.604 1.00 0.00 H new ATOM 0 HD12 LEU A 43 293.465 119.958 387.962 1.00 0.00 H new ATOM 0 HD13 LEU A 43 292.237 119.367 389.107 1.00 0.00 H new ATOM 0 HD21 LEU A 43 292.362 121.936 390.864 1.00 0.00 H new ATOM 0 HD22 LEU A 43 292.305 120.297 391.555 1.00 0.00 H new ATOM 0 HD23 LEU A 43 293.627 121.404 391.997 1.00 0.00 H new ATOM 709 N SER A 44 297.297 121.164 390.468 1.00 0.00 N ATOM 710 CA SER A 44 298.032 122.406 390.244 1.00 0.00 C ATOM 711 C SER A 44 297.286 123.501 389.493 1.00 0.00 C ATOM 712 O SER A 44 297.874 124.213 388.681 1.00 0.00 O ATOM 713 CB SER A 44 299.380 122.183 389.500 1.00 0.00 C ATOM 714 OG SER A 44 300.180 121.257 390.222 1.00 0.00 O ATOM 0 H SER A 44 297.490 120.484 389.733 1.00 0.00 H new ATOM 0 HA SER A 44 298.190 122.749 391.266 1.00 0.00 H new ATOM 0 HB2 SER A 44 299.193 121.809 388.493 1.00 0.00 H new ATOM 0 HB3 SER A 44 299.909 123.130 389.395 1.00 0.00 H new ATOM 0 HG SER A 44 301.027 121.118 389.749 1.00 0.00 H new ATOM 720 N SER A 45 295.974 123.740 389.813 1.00 0.00 N ATOM 721 CA SER A 45 295.181 124.915 389.366 1.00 0.00 C ATOM 722 C SER A 45 295.597 126.183 390.118 1.00 0.00 C ATOM 723 O SER A 45 295.258 127.300 389.759 1.00 0.00 O ATOM 724 CB SER A 45 293.624 124.773 389.418 1.00 0.00 C ATOM 725 OG SER A 45 293.215 123.792 388.469 1.00 0.00 O ATOM 0 H SER A 45 295.436 123.103 390.401 1.00 0.00 H new ATOM 0 HA SER A 45 295.425 124.984 388.306 1.00 0.00 H new ATOM 0 HB2 SER A 45 293.306 124.483 390.419 1.00 0.00 H new ATOM 0 HB3 SER A 45 293.151 125.730 389.198 1.00 0.00 H new ATOM 0 HG SER A 45 293.344 124.140 387.562 1.00 0.00 H new ATOM 731 N ALA A 46 296.394 125.983 391.193 1.00 0.00 N ATOM 732 CA ALA A 46 296.910 126.840 392.249 1.00 0.00 C ATOM 733 C ALA A 46 297.949 127.895 391.879 1.00 0.00 C ATOM 734 O ALA A 46 298.495 128.557 392.758 1.00 0.00 O ATOM 735 CB ALA A 46 297.432 125.927 393.373 1.00 0.00 C ATOM 0 H ALA A 46 296.742 125.037 391.349 1.00 0.00 H new ATOM 0 HA ALA A 46 296.067 127.462 392.551 1.00 0.00 H new ATOM 0 HB1 ALA A 46 297.828 126.538 394.184 1.00 0.00 H new ATOM 0 HB2 ALA A 46 296.616 125.310 393.749 1.00 0.00 H new ATOM 0 HB3 ALA A 46 298.222 125.286 392.983 1.00 0.00 H new ATOM 741 N HIS A 47 298.234 128.036 390.561 1.00 0.00 N ATOM 742 CA HIS A 47 299.142 128.931 389.876 1.00 0.00 C ATOM 743 C HIS A 47 298.679 130.390 389.868 1.00 0.00 C ATOM 744 O HIS A 47 299.466 131.317 390.037 1.00 0.00 O ATOM 745 CB HIS A 47 299.301 128.401 388.428 1.00 0.00 C ATOM 746 CG HIS A 47 300.623 128.743 387.820 1.00 0.00 C ATOM 747 ND1 HIS A 47 301.754 127.979 387.994 1.00 0.00 N ATOM 748 CD2 HIS A 47 301.006 129.823 387.090 1.00 0.00 C ATOM 749 CE1 HIS A 47 302.761 128.626 387.359 1.00 0.00 C ATOM 750 NE2 HIS A 47 302.355 129.749 386.798 1.00 0.00 N ATOM 0 H HIS A 47 297.760 127.438 389.885 1.00 0.00 H new ATOM 0 HA HIS A 47 300.092 128.939 390.411 1.00 0.00 H new ATOM 0 HB2 HIS A 47 299.177 127.318 388.428 1.00 0.00 H new ATOM 0 HB3 HIS A 47 298.505 128.813 387.807 1.00 0.00 H new ATOM 0 HD2 HIS A 47 300.351 130.624 386.782 1.00 0.00 H new ATOM 0 HE1 HIS A 47 303.778 128.264 387.317 1.00 0.00 H new ATOM 0 HE2 HIS A 47 302.914 130.416 386.266 1.00 0.00 H new ATOM 758 N THR A 48 297.356 130.627 389.675 1.00 0.00 N ATOM 759 CA THR A 48 296.791 131.965 389.763 1.00 0.00 C ATOM 760 C THR A 48 295.370 131.866 390.286 1.00 0.00 C ATOM 761 O THR A 48 294.693 130.820 390.229 1.00 0.00 O ATOM 762 CB THR A 48 296.944 132.829 388.498 1.00 0.00 C ATOM 763 OG1 THR A 48 296.918 134.226 388.790 1.00 0.00 O ATOM 764 CG2 THR A 48 295.892 132.517 387.422 1.00 0.00 C ATOM 0 H THR A 48 296.675 129.899 389.459 1.00 0.00 H new ATOM 0 HA THR A 48 297.389 132.529 390.479 1.00 0.00 H new ATOM 0 HB THR A 48 297.924 132.567 388.100 1.00 0.00 H new ATOM 0 HG1 THR A 48 297.020 134.736 387.959 1.00 0.00 H new ATOM 0 HG21 THR A 48 296.055 133.160 386.557 1.00 0.00 H new ATOM 0 HG22 THR A 48 295.979 131.473 387.120 1.00 0.00 H new ATOM 0 HG23 THR A 48 294.895 132.697 387.825 1.00 0.00 H new ATOM 772 N ASN A 49 294.870 133.036 390.786 1.00 0.00 N ATOM 773 CA ASN A 49 293.567 133.265 391.406 1.00 0.00 C ATOM 774 C ASN A 49 292.395 132.870 390.546 1.00 0.00 C ATOM 775 O ASN A 49 291.571 132.074 390.953 1.00 0.00 O ATOM 776 CB ASN A 49 293.395 134.739 391.888 1.00 0.00 C ATOM 777 CG ASN A 49 292.780 134.712 393.284 1.00 0.00 C ATOM 778 OD1 ASN A 49 291.525 135.175 393.499 1.00 0.00 O flip ATOM 779 ND2 ASN A 49 293.470 134.222 394.175 1.00 0.00 N flip ATOM 0 H ASN A 49 295.422 133.893 390.754 1.00 0.00 H new ATOM 0 HA ASN A 49 293.562 132.602 392.271 1.00 0.00 H new ATOM 0 HB2 ASN A 49 294.358 135.248 391.906 1.00 0.00 H new ATOM 0 HB3 ASN A 49 292.755 135.292 391.201 1.00 0.00 H new ATOM 0 HD21 ASN A 49 294.410 133.886 393.966 1.00 0.00 H new ATOM 0 HD22 ASN A 49 293.103 134.151 395.124 1.00 0.00 H new ATOM 786 N ARG A 50 292.386 133.360 389.290 1.00 0.00 N ATOM 787 CA ARG A 50 291.442 133.149 388.210 1.00 0.00 C ATOM 788 C ARG A 50 291.212 131.690 387.833 1.00 0.00 C ATOM 789 O ARG A 50 290.073 131.271 387.698 1.00 0.00 O ATOM 790 CB ARG A 50 291.880 133.976 386.972 1.00 0.00 C ATOM 791 CG ARG A 50 292.132 135.473 387.288 1.00 0.00 C ATOM 792 CD ARG A 50 293.526 135.837 387.858 1.00 0.00 C ATOM 793 NE ARG A 50 294.586 135.550 386.826 1.00 0.00 N ATOM 794 CZ ARG A 50 295.032 136.454 385.898 1.00 0.00 C ATOM 795 NH1 ARG A 50 294.523 137.719 385.839 1.00 0.00 N1+ ATOM 796 NH2 ARG A 50 296.004 136.077 385.016 1.00 0.00 N ATOM 0 H ARG A 50 293.134 133.984 388.989 1.00 0.00 H new ATOM 0 HA ARG A 50 290.476 133.493 388.580 1.00 0.00 H new ATOM 0 HB2 ARG A 50 292.790 133.542 386.558 1.00 0.00 H new ATOM 0 HB3 ARG A 50 291.112 133.899 386.203 1.00 0.00 H new ATOM 0 HG2 ARG A 50 291.978 136.045 386.373 1.00 0.00 H new ATOM 0 HG3 ARG A 50 291.376 135.803 388.001 1.00 0.00 H new ATOM 0 HD2 ARG A 50 293.552 136.890 388.137 1.00 0.00 H new ATOM 0 HD3 ARG A 50 293.721 135.262 388.763 1.00 0.00 H new ATOM 0 HE ARG A 50 295.000 134.618 386.818 1.00 0.00 H new ATOM 0 HH11 ARG A 50 293.796 138.007 386.494 1.00 0.00 H new ATOM 0 HH12 ARG A 50 294.870 138.376 385.140 1.00 0.00 H new ATOM 0 HH21 ARG A 50 296.388 135.133 385.053 1.00 0.00 H new ATOM 0 HH22 ARG A 50 296.346 136.739 384.320 1.00 0.00 H new ATOM 810 N LYS A 51 292.306 130.886 387.690 1.00 0.00 N ATOM 811 CA LYS A 51 292.294 129.437 387.433 1.00 0.00 C ATOM 812 C LYS A 51 291.887 128.555 388.623 1.00 0.00 C ATOM 813 O LYS A 51 291.030 127.651 388.539 1.00 0.00 O ATOM 814 CB LYS A 51 293.620 128.955 386.793 1.00 0.00 C ATOM 815 CG LYS A 51 293.963 129.733 385.504 1.00 0.00 C ATOM 816 CD LYS A 51 294.944 128.993 384.572 1.00 0.00 C ATOM 817 CE LYS A 51 296.341 128.729 385.161 1.00 0.00 C ATOM 818 NZ LYS A 51 297.089 129.987 385.389 1.00 0.00 N1+ ATOM 0 H LYS A 51 293.254 131.258 387.756 1.00 0.00 H new ATOM 0 HA LYS A 51 291.488 129.303 386.712 1.00 0.00 H new ATOM 0 HB2 LYS A 51 294.431 129.071 387.512 1.00 0.00 H new ATOM 0 HB3 LYS A 51 293.546 127.892 386.565 1.00 0.00 H new ATOM 0 HG2 LYS A 51 293.042 129.937 384.958 1.00 0.00 H new ATOM 0 HG3 LYS A 51 294.392 130.697 385.776 1.00 0.00 H new ATOM 0 HD2 LYS A 51 294.501 128.038 384.290 1.00 0.00 H new ATOM 0 HD3 LYS A 51 295.058 129.574 383.657 1.00 0.00 H new ATOM 0 HE2 LYS A 51 296.242 128.189 386.103 1.00 0.00 H new ATOM 0 HE3 LYS A 51 296.906 128.088 384.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 297.940 129.998 384.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 296.485 130.799 385.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 297.367 130.049 386.389 1.00 0.00 H new ATOM 832 N VAL A 52 292.482 128.841 389.835 1.00 0.00 N ATOM 833 CA VAL A 52 292.176 128.105 391.079 1.00 0.00 C ATOM 834 C VAL A 52 290.785 128.400 391.577 1.00 0.00 C ATOM 835 O VAL A 52 290.070 127.468 391.929 1.00 0.00 O ATOM 836 CB VAL A 52 293.231 128.222 392.198 1.00 0.00 C ATOM 837 CG1 VAL A 52 293.158 129.551 392.996 1.00 0.00 C ATOM 838 CG2 VAL A 52 293.228 126.965 393.120 1.00 0.00 C ATOM 0 H VAL A 52 293.174 129.580 389.956 1.00 0.00 H new ATOM 0 HA VAL A 52 292.220 127.056 390.787 1.00 0.00 H new ATOM 0 HB VAL A 52 294.198 128.256 391.696 1.00 0.00 H new ATOM 0 HG11 VAL A 52 293.931 129.557 393.764 1.00 0.00 H new ATOM 0 HG12 VAL A 52 293.313 130.391 392.319 1.00 0.00 H new ATOM 0 HG13 VAL A 52 292.179 129.640 393.466 1.00 0.00 H new ATOM 0 HG21 VAL A 52 293.984 127.082 393.897 1.00 0.00 H new ATOM 0 HG22 VAL A 52 292.247 126.855 393.582 1.00 0.00 H new ATOM 0 HG23 VAL A 52 293.452 126.078 392.527 1.00 0.00 H new ATOM 848 N TRP A 53 290.350 129.697 391.460 1.00 0.00 N ATOM 849 CA TRP A 53 289.000 130.177 391.701 1.00 0.00 C ATOM 850 C TRP A 53 287.975 129.640 390.740 1.00 0.00 C ATOM 851 O TRP A 53 286.874 129.388 391.174 1.00 0.00 O ATOM 852 CB TRP A 53 288.839 131.698 391.807 1.00 0.00 C ATOM 853 CG TRP A 53 289.211 132.472 393.015 1.00 0.00 C ATOM 854 CD1 TRP A 53 288.801 133.757 393.210 1.00 0.00 C ATOM 855 CD2 TRP A 53 289.590 131.961 394.293 1.00 0.00 C ATOM 856 NE1 TRP A 53 288.883 134.078 394.530 1.00 0.00 N ATOM 857 CE2 TRP A 53 289.483 133.022 395.183 1.00 0.00 C ATOM 858 CE3 TRP A 53 289.944 130.712 394.713 1.00 0.00 C ATOM 859 CZ2 TRP A 53 289.854 132.871 396.475 1.00 0.00 C ATOM 860 CZ3 TRP A 53 290.197 130.554 396.040 1.00 0.00 C ATOM 861 CH2 TRP A 53 290.234 131.626 396.886 1.00 0.00 C ATOM 0 H TRP A 53 290.981 130.448 391.181 1.00 0.00 H new ATOM 0 HA TRP A 53 288.808 129.766 392.692 1.00 0.00 H new ATOM 0 HB2 TRP A 53 289.405 132.126 390.980 1.00 0.00 H new ATOM 0 HB3 TRP A 53 287.787 131.911 391.617 1.00 0.00 H new ATOM 0 HD1 TRP A 53 288.461 134.423 392.431 1.00 0.00 H new ATOM 0 HE1 TRP A 53 288.559 134.945 394.959 1.00 0.00 H new ATOM 0 HE3 TRP A 53 290.020 129.885 394.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 289.850 133.707 397.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 290.372 129.563 396.432 1.00 0.00 H new ATOM 0 HH2 TRP A 53 290.571 131.485 397.902 1.00 0.00 H new ATOM 872 N LYS A 54 288.313 129.398 389.453 1.00 0.00 N ATOM 873 CA LYS A 54 287.512 128.694 388.438 1.00 0.00 C ATOM 874 C LYS A 54 287.336 127.208 388.731 1.00 0.00 C ATOM 875 O LYS A 54 286.218 126.719 388.635 1.00 0.00 O ATOM 876 CB LYS A 54 288.244 128.851 387.084 1.00 0.00 C ATOM 877 CG LYS A 54 288.195 127.716 386.043 1.00 0.00 C ATOM 878 CD LYS A 54 288.602 128.154 384.628 1.00 0.00 C ATOM 879 CE LYS A 54 290.045 128.654 384.504 1.00 0.00 C ATOM 880 NZ LYS A 54 290.391 128.949 383.094 1.00 0.00 N1+ ATOM 0 H LYS A 54 289.208 129.710 389.077 1.00 0.00 H new ATOM 0 HA LYS A 54 286.514 129.131 388.431 1.00 0.00 H new ATOM 0 HB2 LYS A 54 287.850 129.747 386.605 1.00 0.00 H new ATOM 0 HB3 LYS A 54 289.294 129.043 387.304 1.00 0.00 H new ATOM 0 HG2 LYS A 54 288.853 126.910 386.367 1.00 0.00 H new ATOM 0 HG3 LYS A 54 287.184 127.309 386.011 1.00 0.00 H new ATOM 0 HD2 LYS A 54 288.463 127.314 383.948 1.00 0.00 H new ATOM 0 HD3 LYS A 54 287.928 128.945 384.299 1.00 0.00 H new ATOM 0 HE2 LYS A 54 290.175 129.552 385.108 1.00 0.00 H new ATOM 0 HE3 LYS A 54 290.728 127.902 384.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 291.374 129.286 383.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 290.289 128.085 382.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 289.753 129.684 382.726 1.00 0.00 H new ATOM 894 N LYS A 55 288.394 126.436 389.163 1.00 0.00 N ATOM 895 CA LYS A 55 288.199 125.029 389.629 1.00 0.00 C ATOM 896 C LYS A 55 287.375 124.978 390.945 1.00 0.00 C ATOM 897 O LYS A 55 286.449 124.180 391.162 1.00 0.00 O ATOM 898 CB LYS A 55 289.535 124.243 389.733 1.00 0.00 C ATOM 899 CG LYS A 55 289.906 123.472 388.447 1.00 0.00 C ATOM 900 CD LYS A 55 290.133 124.400 387.249 1.00 0.00 C ATOM 901 CE LYS A 55 290.777 123.717 386.038 1.00 0.00 C ATOM 902 NZ LYS A 55 291.021 124.700 384.955 1.00 0.00 N1+ ATOM 0 H LYS A 55 289.360 126.761 389.195 1.00 0.00 H new ATOM 0 HA LYS A 55 287.615 124.518 388.864 1.00 0.00 H new ATOM 0 HB2 LYS A 55 290.338 124.940 389.972 1.00 0.00 H new ATOM 0 HB3 LYS A 55 289.468 123.538 390.562 1.00 0.00 H new ATOM 0 HG2 LYS A 55 290.809 122.888 388.626 1.00 0.00 H new ATOM 0 HG3 LYS A 55 289.111 122.765 388.209 1.00 0.00 H new ATOM 0 HD2 LYS A 55 289.176 124.824 386.946 1.00 0.00 H new ATOM 0 HD3 LYS A 55 290.765 125.231 387.562 1.00 0.00 H new ATOM 0 HE2 LYS A 55 291.717 123.252 386.333 1.00 0.00 H new ATOM 0 HE3 LYS A 55 290.128 122.921 385.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 291.458 124.220 384.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 290.118 125.125 384.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 291.659 125.446 385.300 1.00 0.00 H new ATOM 916 N PHE A 56 287.630 126.010 391.792 1.00 0.00 N ATOM 917 CA PHE A 56 286.835 126.318 393.001 1.00 0.00 C ATOM 918 C PHE A 56 285.367 126.711 392.706 1.00 0.00 C ATOM 919 O PHE A 56 284.427 126.225 393.321 1.00 0.00 O ATOM 920 CB PHE A 56 287.535 127.373 393.904 1.00 0.00 C ATOM 921 CG PHE A 56 288.108 126.740 395.133 1.00 0.00 C ATOM 922 CD1 PHE A 56 287.718 127.198 396.374 1.00 0.00 C ATOM 923 CD2 PHE A 56 288.955 125.650 395.055 1.00 0.00 C ATOM 924 CE1 PHE A 56 288.094 126.540 397.519 1.00 0.00 C ATOM 925 CE2 PHE A 56 289.351 124.994 396.201 1.00 0.00 C ATOM 926 CZ PHE A 56 288.909 125.430 397.427 1.00 0.00 C ATOM 0 H PHE A 56 288.405 126.657 391.648 1.00 0.00 H new ATOM 0 HA PHE A 56 286.784 125.380 393.554 1.00 0.00 H new ATOM 0 HB2 PHE A 56 288.328 127.867 393.343 1.00 0.00 H new ATOM 0 HB3 PHE A 56 286.819 128.144 394.189 1.00 0.00 H new ATOM 0 HD1 PHE A 56 287.108 128.087 396.446 1.00 0.00 H new ATOM 0 HD2 PHE A 56 289.308 125.311 394.092 1.00 0.00 H new ATOM 0 HE1 PHE A 56 287.755 126.888 398.483 1.00 0.00 H new ATOM 0 HE2 PHE A 56 290.007 124.139 396.135 1.00 0.00 H new ATOM 0 HZ PHE A 56 289.201 124.902 398.323 1.00 0.00 H new ATOM 936 N VAL A 57 285.131 127.551 391.672 1.00 0.00 N ATOM 937 CA VAL A 57 283.855 127.946 391.082 1.00 0.00 C ATOM 938 C VAL A 57 283.086 126.854 390.358 1.00 0.00 C ATOM 939 O VAL A 57 281.863 126.778 390.437 1.00 0.00 O ATOM 940 CB VAL A 57 283.488 129.428 391.014 1.00 0.00 C ATOM 941 CG1 VAL A 57 283.436 129.964 392.492 1.00 0.00 C ATOM 942 CG2 VAL A 57 284.315 130.315 390.060 1.00 0.00 C ATOM 0 H VAL A 57 285.909 128.005 391.194 1.00 0.00 H new ATOM 0 HA VAL A 57 283.057 128.069 391.814 1.00 0.00 H new ATOM 0 HB VAL A 57 282.512 129.499 390.534 1.00 0.00 H new ATOM 0 HG11 VAL A 57 283.176 131.023 392.486 1.00 0.00 H new ATOM 0 HG12 VAL A 57 282.685 129.409 393.054 1.00 0.00 H new ATOM 0 HG13 VAL A 57 284.411 129.832 392.961 1.00 0.00 H new ATOM 0 HG21 VAL A 57 283.950 131.341 390.109 1.00 0.00 H new ATOM 0 HG22 VAL A 57 285.364 130.288 390.356 1.00 0.00 H new ATOM 0 HG23 VAL A 57 284.216 129.943 389.040 1.00 0.00 H new ATOM 952 N GLU A 58 283.830 125.893 389.744 1.00 0.00 N ATOM 953 CA GLU A 58 283.363 124.580 389.275 1.00 0.00 C ATOM 954 C GLU A 58 282.862 123.700 390.458 1.00 0.00 C ATOM 955 O GLU A 58 281.790 123.106 390.366 1.00 0.00 O ATOM 956 CB GLU A 58 284.456 123.858 388.433 1.00 0.00 C ATOM 957 CG GLU A 58 283.999 122.597 387.670 1.00 0.00 C ATOM 958 CD GLU A 58 282.897 122.946 386.671 1.00 0.00 C ATOM 959 OE1 GLU A 58 283.170 123.755 385.743 1.00 0.00 O ATOM 960 OE2 GLU A 58 281.766 122.406 386.819 1.00 0.00 O1- ATOM 0 H GLU A 58 284.823 126.032 389.558 1.00 0.00 H new ATOM 0 HA GLU A 58 282.510 124.746 388.617 1.00 0.00 H new ATOM 0 HB2 GLU A 58 284.859 124.569 387.712 1.00 0.00 H new ATOM 0 HB3 GLU A 58 285.274 123.580 389.098 1.00 0.00 H new ATOM 0 HG2 GLU A 58 284.846 122.155 387.146 1.00 0.00 H new ATOM 0 HG3 GLU A 58 283.635 121.850 388.375 1.00 0.00 H new ATOM 967 N ALA A 59 283.582 123.693 391.638 1.00 0.00 N ATOM 968 CA ALA A 59 283.110 123.097 392.917 1.00 0.00 C ATOM 969 C ALA A 59 281.870 123.709 393.538 1.00 0.00 C ATOM 970 O ALA A 59 281.045 123.041 394.129 1.00 0.00 O ATOM 971 CB ALA A 59 284.063 123.358 394.104 1.00 0.00 C ATOM 0 H ALA A 59 284.511 124.108 391.712 1.00 0.00 H new ATOM 0 HA ALA A 59 282.987 122.068 392.580 1.00 0.00 H new ATOM 0 HB1 ALA A 59 283.658 122.896 395.004 1.00 0.00 H new ATOM 0 HB2 ALA A 59 285.042 122.931 393.886 1.00 0.00 H new ATOM 0 HB3 ALA A 59 284.163 124.432 394.261 1.00 0.00 H new ATOM 977 N TYR A 60 281.799 125.060 393.514 1.00 0.00 N ATOM 978 CA TYR A 60 280.912 125.988 394.224 1.00 0.00 C ATOM 979 C TYR A 60 279.376 125.695 394.098 1.00 0.00 C ATOM 980 O TYR A 60 278.531 126.158 394.849 1.00 0.00 O ATOM 981 CB TYR A 60 281.250 127.412 393.681 1.00 0.00 C ATOM 982 CG TYR A 60 281.100 128.662 394.520 1.00 0.00 C ATOM 983 CD1 TYR A 60 282.005 128.937 395.540 1.00 0.00 C ATOM 984 CD2 TYR A 60 280.288 129.698 394.088 1.00 0.00 C ATOM 985 CE1 TYR A 60 282.088 130.183 396.130 1.00 0.00 C ATOM 986 CE2 TYR A 60 280.376 130.950 394.664 1.00 0.00 C ATOM 987 CZ TYR A 60 281.278 131.199 395.678 1.00 0.00 C ATOM 988 OH TYR A 60 281.378 132.473 396.275 1.00 0.00 O ATOM 0 H TYR A 60 282.445 125.581 392.921 1.00 0.00 H new ATOM 0 HA TYR A 60 281.097 125.879 395.293 1.00 0.00 H new ATOM 0 HB2 TYR A 60 282.289 127.381 393.352 1.00 0.00 H new ATOM 0 HB3 TYR A 60 280.638 127.559 392.791 1.00 0.00 H new ATOM 0 HD1 TYR A 60 282.663 128.152 395.881 1.00 0.00 H new ATOM 0 HD2 TYR A 60 279.579 129.525 393.292 1.00 0.00 H new ATOM 0 HE1 TYR A 60 282.782 130.358 396.939 1.00 0.00 H new ATOM 0 HE2 TYR A 60 279.731 131.744 394.317 1.00 0.00 H new ATOM 0 HH TYR A 60 280.483 132.859 396.375 1.00 0.00 H new ATOM 998 N GLY A 61 279.008 124.833 393.124 1.00 0.00 N ATOM 999 CA GLY A 61 277.698 124.205 392.935 1.00 0.00 C ATOM 1000 C GLY A 61 277.497 122.823 393.565 1.00 0.00 C ATOM 1001 O GLY A 61 276.463 122.212 393.323 1.00 0.00 O ATOM 0 H GLY A 61 279.670 124.543 392.404 1.00 0.00 H new ATOM 0 HA2 GLY A 61 276.939 124.875 393.337 1.00 0.00 H new ATOM 0 HA3 GLY A 61 277.513 124.120 391.864 1.00 0.00 H new ATOM 1005 N LYS A 62 278.460 122.278 394.369 1.00 0.00 N ATOM 1006 CA LYS A 62 278.437 120.961 395.027 1.00 0.00 C ATOM 1007 C LYS A 62 277.923 120.973 396.459 1.00 0.00 C ATOM 1008 O LYS A 62 277.009 120.230 396.789 1.00 0.00 O ATOM 1009 CB LYS A 62 279.880 120.362 394.968 1.00 0.00 C ATOM 1010 CG LYS A 62 280.380 119.247 395.919 1.00 0.00 C ATOM 1011 CD LYS A 62 281.042 119.682 397.262 1.00 0.00 C ATOM 1012 CE LYS A 62 282.004 120.886 397.323 1.00 0.00 C ATOM 1013 NZ LYS A 62 282.985 120.769 396.228 1.00 0.00 N1+ ATOM 0 H LYS A 62 279.318 122.788 394.579 1.00 0.00 H new ATOM 0 HA LYS A 62 277.722 120.343 394.484 1.00 0.00 H new ATOM 0 HB2 LYS A 62 280.015 119.985 393.954 1.00 0.00 H new ATOM 0 HB3 LYS A 62 280.566 121.200 395.090 1.00 0.00 H new ATOM 0 HG2 LYS A 62 279.533 118.604 396.156 1.00 0.00 H new ATOM 0 HG3 LYS A 62 281.100 118.638 395.372 1.00 0.00 H new ATOM 0 HD2 LYS A 62 280.234 119.884 397.965 1.00 0.00 H new ATOM 0 HD3 LYS A 62 281.587 118.819 397.643 1.00 0.00 H new ATOM 0 HE2 LYS A 62 281.447 121.819 397.232 1.00 0.00 H new ATOM 0 HE3 LYS A 62 282.515 120.912 398.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 283.818 121.353 396.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 283.275 119.776 396.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 282.554 121.096 395.340 1.00 0.00 H new ATOM 1027 N ALA A 63 278.472 121.824 397.367 1.00 0.00 N ATOM 1028 CA ALA A 63 278.105 121.889 398.789 1.00 0.00 C ATOM 1029 C ALA A 63 277.055 122.959 399.089 1.00 0.00 C ATOM 1030 O ALA A 63 277.033 123.576 400.153 1.00 0.00 O ATOM 1031 CB ALA A 63 279.362 122.084 399.671 1.00 0.00 C ATOM 0 H ALA A 63 279.198 122.495 397.114 1.00 0.00 H new ATOM 0 HA ALA A 63 277.646 120.932 399.036 1.00 0.00 H new ATOM 0 HB1 ALA A 63 279.067 122.129 400.719 1.00 0.00 H new ATOM 0 HB2 ALA A 63 280.045 121.247 399.522 1.00 0.00 H new ATOM 0 HB3 ALA A 63 279.861 123.013 399.394 1.00 0.00 H new ATOM 1037 N ILE A 64 276.187 123.233 398.091 1.00 0.00 N ATOM 1038 CA ILE A 64 275.130 124.235 398.072 1.00 0.00 C ATOM 1039 C ILE A 64 273.826 123.725 398.719 1.00 0.00 C ATOM 1040 O ILE A 64 273.573 122.524 398.611 1.00 0.00 O ATOM 1041 CB ILE A 64 274.931 124.633 396.595 1.00 0.00 C ATOM 1042 CG1 ILE A 64 274.217 125.983 396.368 1.00 0.00 C ATOM 1043 CG2 ILE A 64 274.276 123.510 395.751 1.00 0.00 C ATOM 1044 CD1 ILE A 64 275.059 127.183 396.818 1.00 0.00 C ATOM 0 H ILE A 64 276.220 122.712 397.215 1.00 0.00 H new ATOM 0 HA ILE A 64 275.413 125.101 398.670 1.00 0.00 H new ATOM 0 HB ILE A 64 275.950 124.779 396.237 1.00 0.00 H new ATOM 0 HG12 ILE A 64 273.978 126.089 395.310 1.00 0.00 H new ATOM 0 HG13 ILE A 64 273.271 125.985 396.910 1.00 0.00 H new ATOM 0 HG21 ILE A 64 274.162 123.848 394.721 1.00 0.00 H new ATOM 0 HG22 ILE A 64 274.908 122.622 395.773 1.00 0.00 H new ATOM 0 HG23 ILE A 64 273.297 123.268 396.164 1.00 0.00 H new ATOM 0 HD11 ILE A 64 274.507 128.104 396.634 1.00 0.00 H new ATOM 0 HD12 ILE A 64 275.276 127.096 397.883 1.00 0.00 H new ATOM 0 HD13 ILE A 64 275.994 127.202 396.257 1.00 0.00 H new ATOM 1056 N PRO A 65 272.995 124.497 399.449 1.00 0.00 N ATOM 1057 CA PRO A 65 271.687 124.047 399.923 1.00 0.00 C ATOM 1058 C PRO A 65 270.574 124.452 398.911 1.00 0.00 C ATOM 1059 O PRO A 65 270.025 125.536 399.104 1.00 0.00 O ATOM 1060 CB PRO A 65 271.592 124.807 401.261 1.00 0.00 C ATOM 1061 CG PRO A 65 272.303 126.150 401.031 1.00 0.00 C ATOM 1062 CD PRO A 65 273.332 125.839 399.937 1.00 0.00 C ATOM 0 HA PRO A 65 271.567 122.969 400.031 1.00 0.00 H new ATOM 0 HB2 PRO A 65 270.552 124.960 401.551 1.00 0.00 H new ATOM 0 HB3 PRO A 65 272.068 124.245 402.065 1.00 0.00 H new ATOM 0 HG2 PRO A 65 271.604 126.923 400.714 1.00 0.00 H new ATOM 0 HG3 PRO A 65 272.783 126.509 401.941 1.00 0.00 H new ATOM 0 HD2 PRO A 65 273.283 126.573 399.132 1.00 0.00 H new ATOM 0 HD3 PRO A 65 274.347 125.869 400.334 1.00 0.00 H new ATOM 1070 N PRO A 66 270.136 123.684 397.875 1.00 0.00 N ATOM 1071 CA PRO A 66 269.127 124.117 396.891 1.00 0.00 C ATOM 1072 C PRO A 66 267.671 123.951 397.373 1.00 0.00 C ATOM 1073 O PRO A 66 266.756 124.217 396.597 1.00 0.00 O ATOM 1074 CB PRO A 66 269.417 123.178 395.698 1.00 0.00 C ATOM 1075 CG PRO A 66 269.841 121.862 396.355 1.00 0.00 C ATOM 1076 CD PRO A 66 270.652 122.350 397.558 1.00 0.00 C ATOM 0 HA PRO A 66 269.203 125.182 396.671 1.00 0.00 H new ATOM 0 HB2 PRO A 66 268.535 123.045 395.072 1.00 0.00 H new ATOM 0 HB3 PRO A 66 270.205 123.577 395.059 1.00 0.00 H new ATOM 0 HG2 PRO A 66 268.982 121.263 396.658 1.00 0.00 H new ATOM 0 HG3 PRO A 66 270.439 121.245 395.684 1.00 0.00 H new ATOM 0 HD2 PRO A 66 270.537 121.675 398.406 1.00 0.00 H new ATOM 0 HD3 PRO A 66 271.716 122.388 397.323 1.00 0.00 H new ATOM 1084 N ALA A 67 267.441 123.501 398.628 1.00 0.00 N ATOM 1085 CA ALA A 67 266.136 123.254 399.213 1.00 0.00 C ATOM 1086 C ALA A 67 266.026 123.819 400.629 1.00 0.00 C ATOM 1087 O ALA A 67 265.100 124.604 400.832 1.00 0.00 O ATOM 1088 CB ALA A 67 265.733 121.761 399.111 1.00 0.00 C ATOM 0 H ALA A 67 268.203 123.297 399.274 1.00 0.00 H new ATOM 0 HA ALA A 67 265.402 123.802 398.621 1.00 0.00 H new ATOM 0 HB1 ALA A 67 264.750 121.618 399.560 1.00 0.00 H new ATOM 0 HB2 ALA A 67 265.700 121.464 398.063 1.00 0.00 H new ATOM 0 HB3 ALA A 67 266.465 121.150 399.638 1.00 0.00 H new ATOM 1094 N PRO A 68 266.836 123.511 401.679 1.00 0.00 N ATOM 1095 CA PRO A 68 266.658 124.095 403.012 1.00 0.00 C ATOM 1096 C PRO A 68 267.272 125.518 403.116 1.00 0.00 C ATOM 1097 O PRO A 68 268.355 125.733 402.563 1.00 0.00 O ATOM 1098 CB PRO A 68 267.392 123.092 403.928 1.00 0.00 C ATOM 1099 CG PRO A 68 268.530 122.540 403.065 1.00 0.00 C ATOM 1100 CD PRO A 68 267.915 122.518 401.660 1.00 0.00 C ATOM 0 HA PRO A 68 265.609 124.234 403.275 1.00 0.00 H new ATOM 0 HB2 PRO A 68 267.775 123.581 404.824 1.00 0.00 H new ATOM 0 HB3 PRO A 68 266.725 122.297 404.260 1.00 0.00 H new ATOM 0 HG2 PRO A 68 269.415 123.175 403.109 1.00 0.00 H new ATOM 0 HG3 PRO A 68 268.836 121.545 403.388 1.00 0.00 H new ATOM 0 HD2 PRO A 68 268.660 122.765 400.903 1.00 0.00 H new ATOM 0 HD3 PRO A 68 267.530 121.527 401.417 1.00 0.00 H new ATOM 1108 N PRO A 69 266.669 126.512 403.823 1.00 0.00 N ATOM 1109 CA PRO A 69 267.205 127.869 404.014 1.00 0.00 C ATOM 1110 C PRO A 69 268.338 127.878 405.059 1.00 0.00 C ATOM 1111 O PRO A 69 268.156 128.346 406.183 1.00 0.00 O ATOM 1112 CB PRO A 69 265.960 128.664 404.456 1.00 0.00 C ATOM 1113 CG PRO A 69 265.121 127.651 405.239 1.00 0.00 C ATOM 1114 CD PRO A 69 265.370 126.347 404.478 1.00 0.00 C ATOM 0 HA PRO A 69 267.670 128.296 403.125 1.00 0.00 H new ATOM 0 HB2 PRO A 69 266.233 129.518 405.076 1.00 0.00 H new ATOM 0 HB3 PRO A 69 265.413 129.055 403.598 1.00 0.00 H new ATOM 0 HG2 PRO A 69 265.439 127.580 406.279 1.00 0.00 H new ATOM 0 HG3 PRO A 69 264.065 127.920 405.246 1.00 0.00 H new ATOM 0 HD2 PRO A 69 265.379 125.494 405.156 1.00 0.00 H new ATOM 0 HD3 PRO A 69 264.583 126.164 403.746 1.00 0.00 H new ATOM 1122 N ALA A 70 269.513 127.335 404.662 1.00 0.00 N ATOM 1123 CA ALA A 70 270.729 127.148 405.428 1.00 0.00 C ATOM 1124 C ALA A 70 271.817 128.188 405.084 1.00 0.00 C ATOM 1125 O ALA A 70 272.508 127.998 404.078 1.00 0.00 O ATOM 1126 CB ALA A 70 271.234 125.719 405.107 1.00 0.00 C ATOM 0 H ALA A 70 269.625 126.991 403.708 1.00 0.00 H new ATOM 0 HA ALA A 70 270.517 127.281 406.489 1.00 0.00 H new ATOM 0 HB1 ALA A 70 272.153 125.525 405.661 1.00 0.00 H new ATOM 0 HB2 ALA A 70 270.475 124.992 405.396 1.00 0.00 H new ATOM 0 HB3 ALA A 70 271.430 125.634 404.038 1.00 0.00 H new ATOM 1132 N PRO A 71 272.003 129.304 405.844 1.00 0.00 N ATOM 1133 CA PRO A 71 273.004 130.345 405.574 1.00 0.00 C ATOM 1134 C PRO A 71 274.258 130.095 406.484 1.00 0.00 C ATOM 1135 O PRO A 71 274.564 128.907 406.619 1.00 0.00 O ATOM 1136 CB PRO A 71 272.120 131.570 405.889 1.00 0.00 C ATOM 1137 CG PRO A 71 271.395 131.183 407.183 1.00 0.00 C ATOM 1138 CD PRO A 71 271.141 129.684 406.969 1.00 0.00 C ATOM 0 HA PRO A 71 273.467 130.420 404.590 1.00 0.00 H new ATOM 0 HB2 PRO A 71 272.719 132.471 406.022 1.00 0.00 H new ATOM 0 HB3 PRO A 71 271.416 131.772 405.082 1.00 0.00 H new ATOM 0 HG2 PRO A 71 272.006 131.372 408.065 1.00 0.00 H new ATOM 0 HG3 PRO A 71 270.467 131.740 407.313 1.00 0.00 H new ATOM 0 HD2 PRO A 71 271.386 129.112 407.864 1.00 0.00 H new ATOM 0 HD3 PRO A 71 270.092 129.491 406.744 1.00 0.00 H new ATOM 1146 N PRO A 72 275.074 131.006 407.099 1.00 0.00 N ATOM 1147 CA PRO A 72 276.154 130.621 408.005 1.00 0.00 C ATOM 1148 C PRO A 72 275.638 130.468 409.445 1.00 0.00 C ATOM 1149 O PRO A 72 274.870 131.300 409.936 1.00 0.00 O ATOM 1150 CB PRO A 72 277.139 131.803 407.899 1.00 0.00 C ATOM 1151 CG PRO A 72 276.256 133.030 407.630 1.00 0.00 C ATOM 1152 CD PRO A 72 275.017 132.456 406.942 1.00 0.00 C ATOM 0 HA PRO A 72 276.604 129.662 407.749 1.00 0.00 H new ATOM 0 HB2 PRO A 72 277.713 131.923 408.818 1.00 0.00 H new ATOM 0 HB3 PRO A 72 277.857 131.648 407.093 1.00 0.00 H new ATOM 0 HG2 PRO A 72 275.996 133.544 408.555 1.00 0.00 H new ATOM 0 HG3 PRO A 72 276.764 133.755 406.995 1.00 0.00 H new ATOM 0 HD2 PRO A 72 274.107 132.857 407.389 1.00 0.00 H new ATOM 0 HD3 PRO A 72 275.001 132.729 405.887 1.00 0.00 H new ATOM 1160 N LEU A 73 276.100 129.438 410.208 1.00 0.00 N ATOM 1161 CA LEU A 73 275.756 129.324 411.627 1.00 0.00 C ATOM 1162 C LEU A 73 276.828 130.027 412.452 1.00 0.00 C ATOM 1163 O LEU A 73 277.930 129.537 412.680 1.00 0.00 O ATOM 1164 CB LEU A 73 275.580 127.851 412.088 1.00 0.00 C ATOM 1165 CG LEU A 73 274.340 127.156 411.469 1.00 0.00 C ATOM 1166 CD1 LEU A 73 274.219 125.690 411.930 1.00 0.00 C ATOM 1167 CD2 LEU A 73 273.018 127.901 411.756 1.00 0.00 C ATOM 0 H LEU A 73 276.702 128.693 409.857 1.00 0.00 H new ATOM 0 HA LEU A 73 274.789 129.804 411.781 1.00 0.00 H new ATOM 0 HB2 LEU A 73 276.474 127.286 411.823 1.00 0.00 H new ATOM 0 HB3 LEU A 73 275.497 127.826 413.175 1.00 0.00 H new ATOM 0 HG LEU A 73 274.504 127.181 410.392 1.00 0.00 H new ATOM 0 HD11 LEU A 73 273.338 125.237 411.475 1.00 0.00 H new ATOM 0 HD12 LEU A 73 275.109 125.138 411.626 1.00 0.00 H new ATOM 0 HD13 LEU A 73 274.125 125.657 413.015 1.00 0.00 H new ATOM 0 HD21 LEU A 73 272.190 127.363 411.295 1.00 0.00 H new ATOM 0 HD22 LEU A 73 272.859 127.959 412.833 1.00 0.00 H new ATOM 0 HD23 LEU A 73 273.071 128.908 411.343 1.00 0.00 H new ATOM 1179 N THR A 74 276.460 131.241 412.903 1.00 0.00 N ATOM 1180 CA THR A 74 277.323 132.152 413.637 1.00 0.00 C ATOM 1181 C THR A 74 276.414 133.030 414.481 1.00 0.00 C ATOM 1182 O THR A 74 276.726 134.194 414.735 1.00 0.00 O ATOM 1183 CB THR A 74 278.224 132.953 412.667 1.00 0.00 C ATOM 1184 OG1 THR A 74 279.092 133.871 413.321 1.00 0.00 O ATOM 1185 CG2 THR A 74 277.416 133.718 411.593 1.00 0.00 C ATOM 0 H THR A 74 275.523 131.615 412.756 1.00 0.00 H new ATOM 0 HA THR A 74 278.014 131.620 414.291 1.00 0.00 H new ATOM 0 HB THR A 74 278.832 132.188 412.185 1.00 0.00 H new ATOM 0 HG1 THR A 74 278.627 134.275 414.083 1.00 0.00 H new ATOM 0 HG21 THR A 74 278.100 134.261 410.941 1.00 0.00 H new ATOM 0 HG22 THR A 74 276.836 133.010 411.001 1.00 0.00 H new ATOM 0 HG23 THR A 74 276.741 134.423 412.079 1.00 0.00 H new ATOM 1193 N LEU A 75 275.245 132.472 414.901 1.00 0.00 N ATOM 1194 CA LEU A 75 274.192 133.162 415.644 1.00 0.00 C ATOM 1195 C LEU A 75 273.550 132.277 416.717 1.00 0.00 C ATOM 1196 O LEU A 75 273.889 132.350 417.897 1.00 0.00 O ATOM 1197 CB LEU A 75 273.074 133.719 414.698 1.00 0.00 C ATOM 1198 CG LEU A 75 273.483 134.922 413.808 1.00 0.00 C ATOM 1199 CD1 LEU A 75 272.379 135.300 412.802 1.00 0.00 C ATOM 1200 CD2 LEU A 75 273.888 136.150 414.640 1.00 0.00 C ATOM 0 H LEU A 75 275.017 131.495 414.717 1.00 0.00 H new ATOM 0 HA LEU A 75 274.688 133.997 416.139 1.00 0.00 H new ATOM 0 HB2 LEU A 75 272.736 132.910 414.050 1.00 0.00 H new ATOM 0 HB3 LEU A 75 272.222 134.016 415.309 1.00 0.00 H new ATOM 0 HG LEU A 75 274.357 134.595 413.245 1.00 0.00 H new ATOM 0 HD11 LEU A 75 272.709 136.147 412.200 1.00 0.00 H new ATOM 0 HD12 LEU A 75 272.174 134.450 412.151 1.00 0.00 H new ATOM 0 HD13 LEU A 75 271.472 135.571 413.342 1.00 0.00 H new ATOM 0 HD21 LEU A 75 274.166 136.966 413.973 1.00 0.00 H new ATOM 0 HD22 LEU A 75 273.049 136.460 415.263 1.00 0.00 H new ATOM 0 HD23 LEU A 75 274.737 135.896 415.275 1.00 0.00 H new ATOM 1212 N SER A 76 272.521 131.458 416.356 1.00 0.00 N ATOM 1213 CA SER A 76 271.685 130.591 417.213 1.00 0.00 C ATOM 1214 C SER A 76 270.471 131.304 417.814 1.00 0.00 C ATOM 1215 O SER A 76 269.353 130.801 417.751 1.00 0.00 O ATOM 1216 CB SER A 76 272.425 129.635 418.224 1.00 0.00 C ATOM 1217 OG SER A 76 273.080 130.293 419.314 1.00 0.00 O ATOM 0 H SER A 76 272.239 131.387 415.378 1.00 0.00 H new ATOM 0 HA SER A 76 271.298 129.878 416.486 1.00 0.00 H new ATOM 0 HB2 SER A 76 271.700 128.929 418.629 1.00 0.00 H new ATOM 0 HB3 SER A 76 273.164 129.053 417.674 1.00 0.00 H new ATOM 0 HG SER A 76 273.478 131.131 418.999 1.00 0.00 H new ATOM 1223 N LYS A 77 270.664 132.533 418.374 1.00 0.00 N ATOM 1224 CA LYS A 77 269.638 133.378 419.000 1.00 0.00 C ATOM 1225 C LYS A 77 268.731 134.127 418.011 1.00 0.00 C ATOM 1226 O LYS A 77 267.612 134.517 418.336 1.00 0.00 O ATOM 1227 CB LYS A 77 270.287 134.383 419.995 1.00 0.00 C ATOM 1228 CG LYS A 77 271.211 133.737 421.047 1.00 0.00 C ATOM 1229 CD LYS A 77 270.515 132.699 421.944 1.00 0.00 C ATOM 1230 CE LYS A 77 271.418 132.141 423.054 1.00 0.00 C ATOM 1231 NZ LYS A 77 272.571 131.398 422.493 1.00 0.00 N1+ ATOM 0 H LYS A 77 271.586 132.969 418.395 1.00 0.00 H new ATOM 0 HA LYS A 77 268.987 132.686 419.534 1.00 0.00 H new ATOM 0 HB2 LYS A 77 270.860 135.117 419.428 1.00 0.00 H new ATOM 0 HB3 LYS A 77 269.495 134.927 420.511 1.00 0.00 H new ATOM 0 HG2 LYS A 77 272.046 133.258 420.536 1.00 0.00 H new ATOM 0 HG3 LYS A 77 271.631 134.522 421.676 1.00 0.00 H new ATOM 0 HD2 LYS A 77 269.635 133.155 422.398 1.00 0.00 H new ATOM 0 HD3 LYS A 77 270.163 131.874 421.325 1.00 0.00 H new ATOM 0 HE2 LYS A 77 271.779 132.959 423.677 1.00 0.00 H new ATOM 0 HE3 LYS A 77 270.838 131.482 423.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 273.132 130.991 423.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 272.226 130.634 421.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 273.165 132.047 421.938 1.00 0.00 H new ATOM 1245 N LEU A 78 269.216 134.315 416.757 1.00 0.00 N ATOM 1246 CA LEU A 78 268.507 134.968 415.661 1.00 0.00 C ATOM 1247 C LEU A 78 268.586 134.078 414.412 1.00 0.00 C ATOM 1248 O LEU A 78 268.489 134.529 413.275 1.00 0.00 O ATOM 1249 CB LEU A 78 269.092 136.396 415.430 1.00 0.00 C ATOM 1250 CG LEU A 78 268.236 137.382 414.597 1.00 0.00 C ATOM 1251 CD1 LEU A 78 266.949 137.811 415.326 1.00 0.00 C ATOM 1252 CD2 LEU A 78 269.062 138.626 414.226 1.00 0.00 C ATOM 0 H LEU A 78 270.147 133.999 416.486 1.00 0.00 H new ATOM 0 HA LEU A 78 267.452 135.097 415.904 1.00 0.00 H new ATOM 0 HB2 LEU A 78 269.276 136.848 416.405 1.00 0.00 H new ATOM 0 HB3 LEU A 78 270.060 136.290 414.940 1.00 0.00 H new ATOM 0 HG LEU A 78 267.938 136.853 413.692 1.00 0.00 H new ATOM 0 HD11 LEU A 78 266.388 138.502 414.697 1.00 0.00 H new ATOM 0 HD12 LEU A 78 266.339 136.932 415.534 1.00 0.00 H new ATOM 0 HD13 LEU A 78 267.209 138.303 416.263 1.00 0.00 H new ATOM 0 HD21 LEU A 78 268.447 139.310 413.641 1.00 0.00 H new ATOM 0 HD22 LEU A 78 269.395 139.126 415.135 1.00 0.00 H new ATOM 0 HD23 LEU A 78 269.929 138.325 413.639 1.00 0.00 H new ATOM 1264 N GLU A 79 268.776 132.746 414.602 1.00 0.00 N ATOM 1265 CA GLU A 79 268.876 131.779 413.511 1.00 0.00 C ATOM 1266 C GLU A 79 268.369 130.437 414.032 1.00 0.00 C ATOM 1267 O GLU A 79 268.883 129.365 413.720 1.00 0.00 O ATOM 1268 CB GLU A 79 270.335 131.696 412.954 1.00 0.00 C ATOM 1269 CG GLU A 79 270.514 131.011 411.581 1.00 0.00 C ATOM 1270 CD GLU A 79 269.748 131.770 410.497 1.00 0.00 C ATOM 1271 OE1 GLU A 79 270.073 132.966 410.269 1.00 0.00 O ATOM 1272 OE2 GLU A 79 268.833 131.161 409.880 1.00 0.00 O1- ATOM 0 H GLU A 79 268.863 132.325 415.527 1.00 0.00 H new ATOM 0 HA GLU A 79 268.262 132.091 412.666 1.00 0.00 H new ATOM 0 HB2 GLU A 79 270.731 132.709 412.883 1.00 0.00 H new ATOM 0 HB3 GLU A 79 270.948 131.165 413.682 1.00 0.00 H new ATOM 0 HG2 GLU A 79 271.573 130.970 411.324 1.00 0.00 H new ATOM 0 HG3 GLU A 79 270.158 129.982 411.633 1.00 0.00 H new ATOM 1279 N HIS A 80 267.295 130.480 414.864 1.00 0.00 N ATOM 1280 CA HIS A 80 266.691 129.324 415.519 1.00 0.00 C ATOM 1281 C HIS A 80 265.583 128.705 414.672 1.00 0.00 C ATOM 1282 O HIS A 80 264.425 128.643 415.090 1.00 0.00 O ATOM 1283 CB HIS A 80 266.159 129.724 416.929 1.00 0.00 C ATOM 1284 CG HIS A 80 265.975 128.573 417.888 1.00 0.00 C ATOM 1285 ND1 HIS A 80 264.954 127.648 417.813 1.00 0.00 N ATOM 1286 CD2 HIS A 80 266.731 128.201 418.957 1.00 0.00 C ATOM 1287 CE1 HIS A 80 265.137 126.771 418.828 1.00 0.00 C ATOM 1288 NE2 HIS A 80 266.202 127.066 419.546 1.00 0.00 N ATOM 0 H HIS A 80 266.823 131.354 415.094 1.00 0.00 H new ATOM 0 HA HIS A 80 267.463 128.564 415.637 1.00 0.00 H new ATOM 0 HB2 HIS A 80 266.850 130.441 417.372 1.00 0.00 H new ATOM 0 HB3 HIS A 80 265.204 130.235 416.810 1.00 0.00 H new ATOM 0 HD1 HIS A 80 264.203 127.629 417.123 1.00 0.00 H new ATOM 0 HD2 HIS A 80 267.617 128.717 419.297 1.00 0.00 H new ATOM 0 HE1 HIS A 80 264.488 125.931 419.026 1.00 0.00 H new TER 1296 HIS A 80