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 4 TYR OH : rot -135:sc= 1.44 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 179:sc= 0.761 (180deg=0.749) USER MOD Set 2.1: A 34 TYR OH : rot 95:sc= 0.971 USER MOD Set 2.2: A 49 ASN : amide:sc= 0.45 X(o=1.4,f=1.4) USER MOD Set 3.1: A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 0 MET N :NH3+ 179:sc= -0.25 (180deg=-0.273) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -22:sc= 0.248 USER MOD Single : A 14 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.195) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -1.15 F(o=-2.8,f=-1.1) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS :FLIP no HD1:sc= -2.36! F(o=-3.2,f=-2.4!) USER MOD Single : A 29 LYS NZ :NH3+ 146:sc= 0.232 (180deg=-1.28) USER MOD Single : A 33 SER OG : rot 67:sc= 1.84 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 45 SER OG : rot -110:sc= -0.0443 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.186 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -137:sc= -0.0668 (180deg=-1.46!) USER MOD Single : A 55 LYS NZ :NH3+ 170:sc=-0.00643 (180deg=-0.119) USER MOD Single : A 60 TYR OH : rot -10:sc= 1.21 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.286 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0397) USER MOD Single : A 80 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 282.538 121.640 406.808 1.00 0.00 N ATOM 2 CA MET A 0 282.115 121.828 405.440 1.00 0.00 C ATOM 3 C MET A 0 283.181 121.265 404.522 1.00 0.00 C ATOM 4 O MET A 0 283.055 121.246 403.300 1.00 0.00 O ATOM 5 CB MET A 0 281.757 123.320 405.162 1.00 0.00 C ATOM 6 CG MET A 0 280.978 123.634 403.856 1.00 0.00 C ATOM 7 SD MET A 0 279.617 122.502 403.431 1.00 0.00 S ATOM 8 CE MET A 0 278.489 122.973 404.774 1.00 0.00 C ATOM 0 H1 MET A 0 281.823 122.037 407.450 1.00 0.00 H new ATOM 0 H2 MET A 0 282.650 120.624 407.000 1.00 0.00 H new ATOM 0 H3 MET A 0 283.446 122.123 406.960 1.00 0.00 H new ATOM 0 HA MET A 0 281.193 121.281 405.244 1.00 0.00 H new ATOM 0 HB2 MET A 0 281.169 123.688 406.002 1.00 0.00 H new ATOM 0 HB3 MET A 0 282.685 123.892 405.147 1.00 0.00 H new ATOM 0 HG2 MET A 0 280.571 124.642 403.935 1.00 0.00 H new ATOM 0 HG3 MET A 0 281.687 123.641 403.029 1.00 0.00 H new ATOM 0 HE1 MET A 0 277.572 122.388 404.701 1.00 0.00 H new ATOM 0 HE2 MET A 0 278.967 122.781 405.735 1.00 0.00 H new ATOM 0 HE3 MET A 0 278.250 124.033 404.693 1.00 0.00 H new ATOM 18 N GLY A 1 284.304 120.761 405.103 1.00 0.00 N ATOM 19 CA GLY A 1 285.468 120.135 404.442 1.00 0.00 C ATOM 20 C GLY A 1 286.357 121.055 403.626 1.00 0.00 C ATOM 21 O GLY A 1 287.563 121.169 403.831 1.00 0.00 O ATOM 0 H GLY A 1 284.421 120.786 406.116 1.00 0.00 H new ATOM 0 HA2 GLY A 1 286.081 119.659 405.208 1.00 0.00 H new ATOM 0 HA3 GLY A 1 285.104 119.343 403.787 1.00 0.00 H new ATOM 25 N ILE A 2 285.741 121.762 402.655 1.00 0.00 N ATOM 26 CA ILE A 2 286.346 122.764 401.798 1.00 0.00 C ATOM 27 C ILE A 2 285.613 124.076 402.063 1.00 0.00 C ATOM 28 O ILE A 2 284.421 124.107 402.382 1.00 0.00 O ATOM 29 CB ILE A 2 286.288 122.474 400.293 1.00 0.00 C ATOM 30 CG1 ILE A 2 286.633 120.992 399.983 1.00 0.00 C ATOM 31 CG2 ILE A 2 287.200 123.507 399.567 1.00 0.00 C ATOM 32 CD1 ILE A 2 287.103 120.712 398.550 1.00 0.00 C ATOM 0 H ILE A 2 284.751 121.630 402.449 1.00 0.00 H new ATOM 0 HA ILE A 2 287.408 122.787 402.044 1.00 0.00 H new ATOM 0 HB ILE A 2 285.273 122.596 399.914 1.00 0.00 H new ATOM 0 HG12 ILE A 2 287.411 120.666 400.673 1.00 0.00 H new ATOM 0 HG13 ILE A 2 285.752 120.382 400.184 1.00 0.00 H new ATOM 0 HG21 ILE A 2 287.176 123.322 398.493 1.00 0.00 H new ATOM 0 HG22 ILE A 2 286.840 124.516 399.769 1.00 0.00 H new ATOM 0 HG23 ILE A 2 288.223 123.407 399.930 1.00 0.00 H new ATOM 0 HD11 ILE A 2 287.318 119.649 398.439 1.00 0.00 H new ATOM 0 HD12 ILE A 2 286.321 121.000 397.848 1.00 0.00 H new ATOM 0 HD13 ILE A 2 288.005 121.288 398.344 1.00 0.00 H new ATOM 44 N ASP A 3 286.292 125.238 401.909 1.00 0.00 N ATOM 45 CA ASP A 3 285.642 126.506 402.135 1.00 0.00 C ATOM 46 C ASP A 3 285.054 127.155 400.943 1.00 0.00 C ATOM 47 O ASP A 3 285.481 128.220 400.532 1.00 0.00 O ATOM 48 CB ASP A 3 286.714 127.461 402.693 1.00 0.00 C ATOM 49 CG ASP A 3 286.243 128.697 403.429 1.00 0.00 C ATOM 50 OD1 ASP A 3 285.034 128.829 403.742 1.00 0.00 O ATOM 51 OD2 ASP A 3 287.129 129.537 403.700 1.00 0.00 O1- ATOM 0 H ASP A 3 287.272 125.301 401.633 1.00 0.00 H new ATOM 0 HA ASP A 3 284.806 126.305 402.805 1.00 0.00 H new ATOM 0 HB2 ASP A 3 287.351 126.891 403.369 1.00 0.00 H new ATOM 0 HB3 ASP A 3 287.340 127.784 401.861 1.00 0.00 H new ATOM 56 N TYR A 4 283.994 126.566 400.378 1.00 0.00 N ATOM 57 CA TYR A 4 283.009 127.220 399.543 1.00 0.00 C ATOM 58 C TYR A 4 281.979 128.069 400.260 1.00 0.00 C ATOM 59 O TYR A 4 281.799 129.264 400.035 1.00 0.00 O ATOM 60 CB TYR A 4 282.485 126.366 398.400 1.00 0.00 C ATOM 61 CG TYR A 4 283.619 125.634 397.831 1.00 0.00 C ATOM 62 CD1 TYR A 4 283.866 124.314 398.123 1.00 0.00 C ATOM 63 CD2 TYR A 4 284.421 126.307 396.952 1.00 0.00 C ATOM 64 CE1 TYR A 4 284.898 123.677 397.480 1.00 0.00 C ATOM 65 CE2 TYR A 4 285.318 125.611 396.209 1.00 0.00 C ATOM 66 CZ TYR A 4 285.612 124.302 396.496 1.00 0.00 C ATOM 67 OH TYR A 4 286.506 123.567 395.688 1.00 0.00 O ATOM 0 H TYR A 4 283.800 125.572 400.503 1.00 0.00 H new ATOM 0 HA TYR A 4 283.593 127.989 399.037 1.00 0.00 H new ATOM 0 HB2 TYR A 4 281.724 125.673 398.759 1.00 0.00 H new ATOM 0 HB3 TYR A 4 282.014 126.991 397.641 1.00 0.00 H new ATOM 0 HD1 TYR A 4 283.259 123.788 398.845 1.00 0.00 H new ATOM 0 HD2 TYR A 4 284.342 127.379 396.850 1.00 0.00 H new ATOM 0 HE1 TYR A 4 285.150 122.664 397.756 1.00 0.00 H new ATOM 0 HE2 TYR A 4 285.809 126.096 395.378 1.00 0.00 H new ATOM 0 HH TYR A 4 287.345 124.064 395.593 1.00 0.00 H new ATOM 77 N SER A 5 281.180 127.350 401.109 1.00 0.00 N ATOM 78 CA SER A 5 279.920 127.796 401.701 1.00 0.00 C ATOM 79 C SER A 5 279.889 129.056 402.537 1.00 0.00 C ATOM 80 O SER A 5 278.993 129.839 402.295 1.00 0.00 O ATOM 81 CB SER A 5 278.983 126.672 402.241 1.00 0.00 C ATOM 82 OG SER A 5 277.604 127.016 402.073 1.00 0.00 O ATOM 0 H SER A 5 281.427 126.404 401.399 1.00 0.00 H new ATOM 0 HA SER A 5 279.469 128.157 400.776 1.00 0.00 H new ATOM 0 HB2 SER A 5 279.193 125.739 401.718 1.00 0.00 H new ATOM 0 HB3 SER A 5 279.190 126.499 403.297 1.00 0.00 H new ATOM 0 HG SER A 5 277.042 126.292 402.419 1.00 0.00 H new ATOM 88 N GLY A 6 280.868 129.401 403.442 1.00 0.00 N ATOM 89 CA GLY A 6 280.997 130.681 404.149 1.00 0.00 C ATOM 90 C GLY A 6 281.235 131.836 403.213 1.00 0.00 C ATOM 91 O GLY A 6 280.824 132.966 403.411 1.00 0.00 O ATOM 0 H GLY A 6 281.611 128.749 403.694 1.00 0.00 H new ATOM 0 HA2 GLY A 6 280.091 130.866 404.726 1.00 0.00 H new ATOM 0 HA3 GLY A 6 281.821 130.618 404.860 1.00 0.00 H new ATOM 95 N LEU A 7 281.863 131.540 402.057 1.00 0.00 N ATOM 96 CA LEU A 7 282.156 132.457 400.984 1.00 0.00 C ATOM 97 C LEU A 7 280.895 132.754 400.181 1.00 0.00 C ATOM 98 O LEU A 7 280.501 133.913 400.073 1.00 0.00 O ATOM 99 CB LEU A 7 283.389 132.067 400.126 1.00 0.00 C ATOM 100 CG LEU A 7 284.747 131.880 400.861 1.00 0.00 C ATOM 101 CD1 LEU A 7 284.639 130.923 402.003 1.00 0.00 C ATOM 102 CD2 LEU A 7 285.773 131.081 400.064 1.00 0.00 C ATOM 0 H LEU A 7 282.190 130.595 401.855 1.00 0.00 H new ATOM 0 HA LEU A 7 282.476 133.395 401.438 1.00 0.00 H new ATOM 0 HB2 LEU A 7 283.157 131.137 399.607 1.00 0.00 H new ATOM 0 HB3 LEU A 7 283.523 132.833 399.362 1.00 0.00 H new ATOM 0 HG LEU A 7 285.016 132.911 401.089 1.00 0.00 H new ATOM 0 HD11 LEU A 7 285.610 130.823 402.487 1.00 0.00 H new ATOM 0 HD12 LEU A 7 283.911 131.297 402.723 1.00 0.00 H new ATOM 0 HD13 LEU A 7 284.316 129.950 401.633 1.00 0.00 H new ATOM 0 HD21 LEU A 7 286.693 130.993 400.641 1.00 0.00 H new ATOM 0 HD22 LEU A 7 285.378 130.087 399.856 1.00 0.00 H new ATOM 0 HD23 LEU A 7 285.982 131.592 399.124 1.00 0.00 H new ATOM 114 N ARG A 8 280.166 131.711 399.679 1.00 0.00 N ATOM 115 CA ARG A 8 278.867 131.887 398.992 1.00 0.00 C ATOM 116 C ARG A 8 277.722 132.346 399.884 1.00 0.00 C ATOM 117 O ARG A 8 276.835 133.087 399.463 1.00 0.00 O ATOM 118 CB ARG A 8 278.429 130.704 398.035 1.00 0.00 C ATOM 119 CG ARG A 8 279.006 129.287 398.295 1.00 0.00 C ATOM 120 CD ARG A 8 278.857 128.351 397.059 1.00 0.00 C ATOM 121 NE ARG A 8 279.701 127.064 397.072 1.00 0.00 N ATOM 122 CZ ARG A 8 279.230 125.960 397.723 1.00 0.00 C ATOM 123 NH1 ARG A 8 278.264 126.052 398.677 1.00 0.00 N1+ ATOM 124 NH2 ARG A 8 279.763 124.752 397.380 1.00 0.00 N ATOM 0 H ARG A 8 280.467 130.738 399.743 1.00 0.00 H new ATOM 0 HA ARG A 8 279.091 132.724 398.331 1.00 0.00 H new ATOM 0 HB2 ARG A 8 277.342 130.631 398.074 1.00 0.00 H new ATOM 0 HB3 ARG A 8 278.693 130.987 397.016 1.00 0.00 H new ATOM 0 HG2 ARG A 8 280.060 129.370 398.560 1.00 0.00 H new ATOM 0 HG3 ARG A 8 278.496 128.841 399.149 1.00 0.00 H new ATOM 0 HD2 ARG A 8 277.808 128.071 396.967 1.00 0.00 H new ATOM 0 HD3 ARG A 8 279.115 128.920 396.166 1.00 0.00 H new ATOM 0 HE ARG A 8 280.604 127.036 396.599 1.00 0.00 H new ATOM 0 HH11 ARG A 8 277.874 126.962 398.921 1.00 0.00 H new ATOM 0 HH12 ARG A 8 277.930 125.211 399.148 1.00 0.00 H new ATOM 0 HH21 ARG A 8 280.485 124.699 396.662 1.00 0.00 H new ATOM 0 HH22 ARG A 8 279.439 123.902 397.842 1.00 0.00 H new ATOM 138 N THR A 9 277.756 131.917 401.156 1.00 0.00 N ATOM 139 CA THR A 9 276.781 132.280 402.192 1.00 0.00 C ATOM 140 C THR A 9 277.006 133.604 402.909 1.00 0.00 C ATOM 141 O THR A 9 276.031 134.207 403.356 1.00 0.00 O ATOM 142 CB THR A 9 276.322 131.077 403.006 1.00 0.00 C ATOM 143 OG1 THR A 9 274.929 131.078 403.292 1.00 0.00 O ATOM 144 CG2 THR A 9 277.080 130.808 404.315 1.00 0.00 C ATOM 0 H THR A 9 278.484 131.290 401.500 1.00 0.00 H new ATOM 0 HA THR A 9 275.876 132.576 401.661 1.00 0.00 H new ATOM 0 HB THR A 9 276.566 130.265 402.321 1.00 0.00 H new ATOM 0 HG1 THR A 9 274.583 131.993 403.229 1.00 0.00 H new ATOM 0 HG21 THR A 9 276.662 129.928 404.803 1.00 0.00 H new ATOM 0 HG22 THR A 9 278.134 130.636 404.096 1.00 0.00 H new ATOM 0 HG23 THR A 9 276.983 131.670 404.975 1.00 0.00 H new ATOM 152 N ILE A 10 278.265 134.126 403.018 1.00 0.00 N ATOM 153 CA ILE A 10 278.551 135.455 403.571 1.00 0.00 C ATOM 154 C ILE A 10 278.730 136.471 402.409 1.00 0.00 C ATOM 155 O ILE A 10 278.361 137.633 402.587 1.00 0.00 O ATOM 156 CB ILE A 10 279.731 135.496 404.603 1.00 0.00 C ATOM 157 CG1 ILE A 10 279.457 134.789 405.973 1.00 0.00 C ATOM 158 CG2 ILE A 10 280.134 136.931 405.038 1.00 0.00 C ATOM 159 CD1 ILE A 10 279.492 133.257 406.088 1.00 0.00 C ATOM 0 H ILE A 10 279.101 133.623 402.720 1.00 0.00 H new ATOM 0 HA ILE A 10 277.687 135.745 404.170 1.00 0.00 H new ATOM 0 HB ILE A 10 280.502 134.981 404.030 1.00 0.00 H new ATOM 0 HG12 ILE A 10 280.182 135.180 406.686 1.00 0.00 H new ATOM 0 HG13 ILE A 10 278.472 135.113 406.309 1.00 0.00 H new ATOM 0 HG21 ILE A 10 280.956 136.877 405.752 1.00 0.00 H new ATOM 0 HG22 ILE A 10 280.449 137.501 404.164 1.00 0.00 H new ATOM 0 HG23 ILE A 10 279.280 137.423 405.504 1.00 0.00 H new ATOM 0 HD11 ILE A 10 279.277 132.964 407.116 1.00 0.00 H new ATOM 0 HD12 ILE A 10 278.744 132.825 405.424 1.00 0.00 H new ATOM 0 HD13 ILE A 10 280.480 132.893 405.806 1.00 0.00 H new ATOM 171 N PHE A 11 279.323 136.129 401.207 1.00 0.00 N ATOM 172 CA PHE A 11 279.670 137.153 400.198 1.00 0.00 C ATOM 173 C PHE A 11 278.774 137.123 398.964 1.00 0.00 C ATOM 174 O PHE A 11 278.760 138.049 398.148 1.00 0.00 O ATOM 175 CB PHE A 11 281.179 137.082 399.781 1.00 0.00 C ATOM 176 CG PHE A 11 282.080 136.954 400.997 1.00 0.00 C ATOM 177 CD1 PHE A 11 282.052 137.838 402.063 1.00 0.00 C ATOM 178 CD2 PHE A 11 282.930 135.872 401.084 1.00 0.00 C ATOM 179 CE1 PHE A 11 282.813 137.593 403.197 1.00 0.00 C ATOM 180 CE2 PHE A 11 283.683 135.616 402.209 1.00 0.00 C ATOM 181 CZ PHE A 11 283.630 136.484 403.273 1.00 0.00 C ATOM 0 H PHE A 11 279.557 135.174 400.937 1.00 0.00 H new ATOM 0 HA PHE A 11 279.493 138.108 400.693 1.00 0.00 H new ATOM 0 HB2 PHE A 11 281.336 136.231 399.118 1.00 0.00 H new ATOM 0 HB3 PHE A 11 281.446 137.977 399.220 1.00 0.00 H new ATOM 0 HD1 PHE A 11 281.435 138.723 402.011 1.00 0.00 H new ATOM 0 HD2 PHE A 11 283.008 135.202 400.241 1.00 0.00 H new ATOM 0 HE1 PHE A 11 282.765 138.279 404.030 1.00 0.00 H new ATOM 0 HE2 PHE A 11 284.311 134.739 402.254 1.00 0.00 H new ATOM 0 HZ PHE A 11 284.221 136.300 404.158 1.00 0.00 H new ATOM 191 N GLY A 12 277.957 136.050 398.811 1.00 0.00 N ATOM 192 CA GLY A 12 276.913 135.895 397.795 1.00 0.00 C ATOM 193 C GLY A 12 277.324 135.522 396.387 1.00 0.00 C ATOM 194 O GLY A 12 276.878 134.506 395.869 1.00 0.00 O ATOM 0 H GLY A 12 278.020 135.239 399.426 1.00 0.00 H new ATOM 0 HA2 GLY A 12 276.216 135.135 398.149 1.00 0.00 H new ATOM 0 HA3 GLY A 12 276.361 136.833 397.741 1.00 0.00 H new ATOM 198 N GLU A 13 278.136 136.397 395.739 1.00 0.00 N ATOM 199 CA GLU A 13 278.522 136.394 394.326 1.00 0.00 C ATOM 200 C GLU A 13 279.660 135.476 393.889 1.00 0.00 C ATOM 201 O GLU A 13 279.534 134.740 392.913 1.00 0.00 O ATOM 202 CB GLU A 13 278.825 137.861 393.907 1.00 0.00 C ATOM 203 CG GLU A 13 278.989 138.100 392.391 1.00 0.00 C ATOM 204 CD GLU A 13 279.184 139.592 392.122 1.00 0.00 C ATOM 205 OE1 GLU A 13 278.244 140.377 392.418 1.00 0.00 O ATOM 206 OE2 GLU A 13 280.276 139.966 391.615 1.00 0.00 O1- ATOM 0 H GLU A 13 278.564 137.177 396.239 1.00 0.00 H new ATOM 0 HA GLU A 13 277.666 135.960 393.809 1.00 0.00 H new ATOM 0 HB2 GLU A 13 278.020 138.498 394.272 1.00 0.00 H new ATOM 0 HB3 GLU A 13 279.738 138.182 394.408 1.00 0.00 H new ATOM 0 HG2 GLU A 13 279.844 137.538 392.015 1.00 0.00 H new ATOM 0 HG3 GLU A 13 278.110 137.737 391.859 1.00 0.00 H new ATOM 213 N LYS A 14 280.822 135.525 394.581 1.00 0.00 N ATOM 214 CA LYS A 14 281.987 134.729 394.230 1.00 0.00 C ATOM 215 C LYS A 14 282.700 134.275 395.498 1.00 0.00 C ATOM 216 O LYS A 14 282.105 134.083 396.563 1.00 0.00 O ATOM 217 CB LYS A 14 282.949 135.505 393.268 1.00 0.00 C ATOM 218 CG LYS A 14 283.775 134.617 392.307 1.00 0.00 C ATOM 219 CD LYS A 14 285.108 135.257 391.877 1.00 0.00 C ATOM 220 CE LYS A 14 284.938 136.540 391.053 1.00 0.00 C ATOM 221 NZ LYS A 14 286.254 137.089 390.650 1.00 0.00 N1+ ATOM 0 H LYS A 14 280.963 136.122 395.396 1.00 0.00 H new ATOM 0 HA LYS A 14 281.654 133.846 393.685 1.00 0.00 H new ATOM 0 HB2 LYS A 14 282.359 136.203 392.675 1.00 0.00 H new ATOM 0 HB3 LYS A 14 283.637 136.100 393.869 1.00 0.00 H new ATOM 0 HG2 LYS A 14 283.979 133.662 392.791 1.00 0.00 H new ATOM 0 HG3 LYS A 14 283.180 134.404 391.419 1.00 0.00 H new ATOM 0 HD2 LYS A 14 285.696 135.482 392.766 1.00 0.00 H new ATOM 0 HD3 LYS A 14 285.677 134.533 391.293 1.00 0.00 H new ATOM 0 HE2 LYS A 14 284.340 136.331 390.166 1.00 0.00 H new ATOM 0 HE3 LYS A 14 284.393 137.282 391.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 286.153 138.098 390.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 286.931 136.978 391.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 286.603 136.576 389.815 1.00 0.00 H new ATOM 235 N LEU A 15 284.030 134.087 395.354 1.00 0.00 N ATOM 236 CA LEU A 15 285.025 133.669 396.313 1.00 0.00 C ATOM 237 C LEU A 15 285.968 134.842 396.540 1.00 0.00 C ATOM 238 O LEU A 15 286.499 135.334 395.539 1.00 0.00 O ATOM 239 CB LEU A 15 285.958 132.586 395.711 1.00 0.00 C ATOM 240 CG LEU A 15 285.379 131.189 395.557 1.00 0.00 C ATOM 241 CD1 LEU A 15 286.113 130.462 394.429 1.00 0.00 C ATOM 242 CD2 LEU A 15 285.533 130.437 396.874 1.00 0.00 C ATOM 0 H LEU A 15 284.463 134.250 394.445 1.00 0.00 H new ATOM 0 HA LEU A 15 284.502 133.313 397.201 1.00 0.00 H new ATOM 0 HB2 LEU A 15 286.285 132.928 394.729 1.00 0.00 H new ATOM 0 HB3 LEU A 15 286.847 132.518 396.338 1.00 0.00 H new ATOM 0 HG LEU A 15 284.320 131.244 395.306 1.00 0.00 H new ATOM 0 HD11 LEU A 15 285.702 129.459 394.314 1.00 0.00 H new ATOM 0 HD12 LEU A 15 285.987 131.015 393.498 1.00 0.00 H new ATOM 0 HD13 LEU A 15 287.174 130.394 394.670 1.00 0.00 H new ATOM 0 HD21 LEU A 15 285.120 129.434 396.771 1.00 0.00 H new ATOM 0 HD22 LEU A 15 286.590 130.369 397.133 1.00 0.00 H new ATOM 0 HD23 LEU A 15 285.000 130.970 397.662 1.00 0.00 H new ATOM 254 N PRO A 16 286.265 135.301 397.753 1.00 0.00 N ATOM 255 CA PRO A 16 287.218 136.365 398.041 1.00 0.00 C ATOM 256 C PRO A 16 288.691 136.015 397.859 1.00 0.00 C ATOM 257 O PRO A 16 289.084 134.870 397.632 1.00 0.00 O ATOM 258 CB PRO A 16 286.995 136.610 399.542 1.00 0.00 C ATOM 259 CG PRO A 16 286.538 135.254 400.082 1.00 0.00 C ATOM 260 CD PRO A 16 285.615 134.833 398.962 1.00 0.00 C ATOM 0 HA PRO A 16 287.045 137.196 397.357 1.00 0.00 H new ATOM 0 HB2 PRO A 16 287.910 136.945 400.031 1.00 0.00 H new ATOM 0 HB3 PRO A 16 286.243 137.380 399.712 1.00 0.00 H new ATOM 0 HG2 PRO A 16 287.366 134.560 400.225 1.00 0.00 H new ATOM 0 HG3 PRO A 16 286.023 135.337 401.039 1.00 0.00 H new ATOM 0 HD2 PRO A 16 285.480 133.752 398.946 1.00 0.00 H new ATOM 0 HD3 PRO A 16 284.626 135.276 399.077 1.00 0.00 H new ATOM 268 N GLU A 17 289.509 137.073 398.054 1.00 0.00 N ATOM 269 CA GLU A 17 290.952 137.090 398.008 1.00 0.00 C ATOM 270 C GLU A 17 291.550 136.818 399.390 1.00 0.00 C ATOM 271 O GLU A 17 290.891 136.936 400.431 1.00 0.00 O ATOM 272 CB GLU A 17 291.452 138.463 397.482 1.00 0.00 C ATOM 273 CG GLU A 17 290.764 138.984 396.202 1.00 0.00 C ATOM 274 CD GLU A 17 290.704 137.913 395.118 1.00 0.00 C ATOM 275 OE1 GLU A 17 291.803 137.502 394.657 1.00 0.00 O ATOM 276 OE2 GLU A 17 289.578 137.502 394.729 1.00 0.00 O1- ATOM 0 H GLU A 17 289.130 137.997 398.262 1.00 0.00 H new ATOM 0 HA GLU A 17 291.278 136.301 397.330 1.00 0.00 H new ATOM 0 HB2 GLU A 17 291.318 139.203 398.271 1.00 0.00 H new ATOM 0 HB3 GLU A 17 292.523 138.390 397.292 1.00 0.00 H new ATOM 0 HG2 GLU A 17 289.754 139.316 396.441 1.00 0.00 H new ATOM 0 HG3 GLU A 17 291.305 139.853 395.826 1.00 0.00 H new ATOM 283 N SER A 18 292.861 136.462 399.417 1.00 0.00 N ATOM 284 CA SER A 18 293.604 136.023 400.609 1.00 0.00 C ATOM 285 C SER A 18 293.651 136.890 401.870 1.00 0.00 C ATOM 286 O SER A 18 293.692 136.342 402.969 1.00 0.00 O ATOM 287 CB SER A 18 294.972 135.350 400.287 1.00 0.00 C ATOM 288 OG SER A 18 296.124 136.179 400.444 1.00 0.00 O ATOM 0 H SER A 18 293.441 136.476 398.578 1.00 0.00 H new ATOM 0 HA SER A 18 292.897 135.265 400.947 1.00 0.00 H new ATOM 0 HB2 SER A 18 295.086 134.476 400.929 1.00 0.00 H new ATOM 0 HB3 SER A 18 294.945 134.989 399.259 1.00 0.00 H new ATOM 0 HG SER A 18 296.929 135.666 400.221 1.00 0.00 H new ATOM 294 N HIS A 19 293.578 138.257 401.735 1.00 0.00 N ATOM 295 CA HIS A 19 293.527 139.264 402.808 1.00 0.00 C ATOM 296 C HIS A 19 292.330 139.085 403.742 1.00 0.00 C ATOM 297 O HIS A 19 292.504 139.015 404.951 1.00 0.00 O ATOM 298 CB HIS A 19 293.580 140.736 402.269 1.00 0.00 C ATOM 299 CG HIS A 19 292.460 141.151 401.332 1.00 0.00 C ATOM 300 ND1 HIS A 19 291.730 140.394 400.473 1.00 0.00 N flip ATOM 301 CD2 HIS A 19 291.962 142.434 401.193 1.00 0.00 C flip ATOM 302 CE1 HIS A 19 290.785 141.150 399.824 1.00 0.00 C flip ATOM 303 NE2 HIS A 19 290.950 142.364 400.286 1.00 0.00 N flip ATOM 0 H HIS A 19 293.553 138.691 400.812 1.00 0.00 H new ATOM 0 HA HIS A 19 294.431 139.090 403.392 1.00 0.00 H new ATOM 0 HB2 HIS A 19 293.580 141.413 403.123 1.00 0.00 H new ATOM 0 HB3 HIS A 19 294.529 140.877 401.751 1.00 0.00 H new ATOM 0 HD2 HIS A 19 292.309 143.319 401.705 1.00 0.00 H new ATOM 0 HE1 HIS A 19 290.064 140.816 399.093 1.00 0.00 H new ATOM 0 HE2 HIS A 19 290.386 143.164 399.999 1.00 0.00 H new ATOM 311 N ILE A 20 291.095 138.894 403.193 1.00 0.00 N ATOM 312 CA ILE A 20 289.930 138.415 403.953 1.00 0.00 C ATOM 313 C ILE A 20 289.939 136.917 404.188 1.00 0.00 C ATOM 314 O ILE A 20 289.544 136.452 405.261 1.00 0.00 O ATOM 315 CB ILE A 20 288.533 138.885 403.472 1.00 0.00 C ATOM 316 CG1 ILE A 20 287.621 137.780 402.868 1.00 0.00 C ATOM 317 CG2 ILE A 20 288.706 140.049 402.472 1.00 0.00 C ATOM 318 CD1 ILE A 20 286.336 138.300 402.251 1.00 0.00 C ATOM 0 H ILE A 20 290.893 139.072 402.209 1.00 0.00 H new ATOM 0 HA ILE A 20 290.076 138.924 404.906 1.00 0.00 H new ATOM 0 HB ILE A 20 288.005 139.207 404.370 1.00 0.00 H new ATOM 0 HG12 ILE A 20 288.182 137.238 402.107 1.00 0.00 H new ATOM 0 HG13 ILE A 20 287.371 137.064 403.651 1.00 0.00 H new ATOM 0 HG21 ILE A 20 287.727 140.384 402.130 1.00 0.00 H new ATOM 0 HG22 ILE A 20 289.222 140.875 402.961 1.00 0.00 H new ATOM 0 HG23 ILE A 20 289.292 139.711 401.618 1.00 0.00 H new ATOM 0 HD11 ILE A 20 285.759 137.465 401.854 1.00 0.00 H new ATOM 0 HD12 ILE A 20 285.750 138.816 403.011 1.00 0.00 H new ATOM 0 HD13 ILE A 20 286.574 138.993 401.444 1.00 0.00 H new ATOM 330 N PHE A 21 290.327 136.098 403.156 1.00 0.00 N ATOM 331 CA PHE A 21 290.163 134.651 403.205 1.00 0.00 C ATOM 332 C PHE A 21 291.072 133.980 404.282 1.00 0.00 C ATOM 333 O PHE A 21 290.559 133.272 405.150 1.00 0.00 O ATOM 334 CB PHE A 21 290.159 134.101 401.731 1.00 0.00 C ATOM 335 CG PHE A 21 289.599 132.717 401.449 1.00 0.00 C ATOM 336 CD1 PHE A 21 289.428 131.775 402.442 1.00 0.00 C ATOM 337 CD2 PHE A 21 289.353 132.307 400.135 1.00 0.00 C ATOM 338 CE1 PHE A 21 289.302 130.450 402.150 1.00 0.00 C ATOM 339 CE2 PHE A 21 289.043 130.980 399.872 1.00 0.00 C ATOM 340 CZ PHE A 21 289.097 130.034 400.877 1.00 0.00 C ATOM 0 H PHE A 21 290.752 136.440 402.294 1.00 0.00 H new ATOM 0 HA PHE A 21 289.192 134.351 403.599 1.00 0.00 H new ATOM 0 HB2 PHE A 21 289.600 134.810 401.120 1.00 0.00 H new ATOM 0 HB3 PHE A 21 291.189 134.115 401.375 1.00 0.00 H new ATOM 0 HD1 PHE A 21 289.393 132.094 403.473 1.00 0.00 H new ATOM 0 HD2 PHE A 21 289.404 133.021 399.327 1.00 0.00 H new ATOM 0 HE1 PHE A 21 289.366 129.721 402.944 1.00 0.00 H new ATOM 0 HE2 PHE A 21 288.757 130.685 398.873 1.00 0.00 H new ATOM 0 HZ PHE A 21 288.978 128.984 400.653 1.00 0.00 H new ATOM 350 N PHE A 22 292.413 134.251 404.313 1.00 0.00 N ATOM 351 CA PHE A 22 293.354 133.776 405.348 1.00 0.00 C ATOM 352 C PHE A 22 293.222 134.561 406.689 1.00 0.00 C ATOM 353 O PHE A 22 293.815 134.149 407.687 1.00 0.00 O ATOM 354 CB PHE A 22 294.887 133.758 404.909 1.00 0.00 C ATOM 355 CG PHE A 22 295.371 132.613 403.998 1.00 0.00 C ATOM 356 CD1 PHE A 22 296.073 132.891 402.829 1.00 0.00 C ATOM 357 CD2 PHE A 22 295.297 131.265 404.337 1.00 0.00 C ATOM 358 CE1 PHE A 22 296.479 131.894 401.954 1.00 0.00 C ATOM 359 CE2 PHE A 22 295.726 130.264 403.494 1.00 0.00 C ATOM 360 CZ PHE A 22 296.235 130.570 402.259 1.00 0.00 C ATOM 0 H PHE A 22 292.868 134.819 403.598 1.00 0.00 H new ATOM 0 HA PHE A 22 293.049 132.740 405.496 1.00 0.00 H new ATOM 0 HB2 PHE A 22 295.099 134.699 404.402 1.00 0.00 H new ATOM 0 HB3 PHE A 22 295.493 133.741 405.815 1.00 0.00 H new ATOM 0 HD1 PHE A 22 296.310 133.918 402.595 1.00 0.00 H new ATOM 0 HD2 PHE A 22 294.887 130.993 405.299 1.00 0.00 H new ATOM 0 HE1 PHE A 22 296.985 132.153 401.036 1.00 0.00 H new ATOM 0 HE2 PHE A 22 295.661 129.233 403.808 1.00 0.00 H new ATOM 0 HZ PHE A 22 296.441 129.792 401.539 1.00 0.00 H new ATOM 370 N ALA A 23 292.487 135.725 406.782 1.00 0.00 N ATOM 371 CA ALA A 23 292.306 136.455 408.049 1.00 0.00 C ATOM 372 C ALA A 23 290.898 136.541 408.680 1.00 0.00 C ATOM 373 O ALA A 23 290.797 136.781 409.880 1.00 0.00 O ATOM 374 CB ALA A 23 292.885 137.884 407.923 1.00 0.00 C ATOM 0 H ALA A 23 292.020 136.159 405.985 1.00 0.00 H new ATOM 0 HA ALA A 23 292.849 135.820 408.749 1.00 0.00 H new ATOM 0 HB1 ALA A 23 292.747 138.417 408.864 1.00 0.00 H new ATOM 0 HB2 ALA A 23 293.948 137.827 407.691 1.00 0.00 H new ATOM 0 HB3 ALA A 23 292.368 138.417 407.125 1.00 0.00 H new ATOM 380 N THR A 24 289.763 136.368 407.942 1.00 0.00 N ATOM 381 CA THR A 24 288.393 136.557 408.481 1.00 0.00 C ATOM 382 C THR A 24 287.677 135.217 408.605 1.00 0.00 C ATOM 383 O THR A 24 287.599 134.458 407.640 1.00 0.00 O ATOM 384 CB THR A 24 287.517 137.491 407.612 1.00 0.00 C ATOM 385 OG1 THR A 24 288.228 138.670 407.255 1.00 0.00 O ATOM 386 CG2 THR A 24 286.244 137.977 408.346 1.00 0.00 C ATOM 0 H THR A 24 289.778 136.094 406.960 1.00 0.00 H new ATOM 0 HA THR A 24 288.524 137.023 409.457 1.00 0.00 H new ATOM 0 HB THR A 24 287.247 136.893 406.742 1.00 0.00 H new ATOM 0 HG1 THR A 24 287.655 139.244 406.705 1.00 0.00 H new ATOM 0 HG21 THR A 24 285.670 138.628 407.687 1.00 0.00 H new ATOM 0 HG22 THR A 24 285.635 137.117 408.627 1.00 0.00 H new ATOM 0 HG23 THR A 24 286.529 138.528 409.242 1.00 0.00 H new ATOM 394 N VAL A 25 287.058 134.876 409.785 1.00 0.00 N ATOM 395 CA VAL A 25 286.326 133.618 410.104 1.00 0.00 C ATOM 396 C VAL A 25 285.070 133.380 409.291 1.00 0.00 C ATOM 397 O VAL A 25 284.570 132.267 409.220 1.00 0.00 O ATOM 398 CB VAL A 25 286.003 133.385 411.590 1.00 0.00 C ATOM 399 CG1 VAL A 25 285.688 131.892 411.881 1.00 0.00 C ATOM 400 CG2 VAL A 25 287.192 133.842 412.458 1.00 0.00 C ATOM 0 H VAL A 25 287.062 135.516 410.579 1.00 0.00 H new ATOM 0 HA VAL A 25 287.076 132.884 409.809 1.00 0.00 H new ATOM 0 HB VAL A 25 285.116 133.970 411.835 1.00 0.00 H new ATOM 0 HG11 VAL A 25 285.465 131.767 412.941 1.00 0.00 H new ATOM 0 HG12 VAL A 25 284.827 131.580 411.290 1.00 0.00 H new ATOM 0 HG13 VAL A 25 286.551 131.280 411.617 1.00 0.00 H new ATOM 0 HG21 VAL A 25 286.960 133.676 413.510 1.00 0.00 H new ATOM 0 HG22 VAL A 25 288.080 133.271 412.188 1.00 0.00 H new ATOM 0 HG23 VAL A 25 287.378 134.903 412.291 1.00 0.00 H new ATOM 410 N ALA A 26 284.621 134.414 408.518 1.00 0.00 N ATOM 411 CA ALA A 26 283.613 134.453 407.471 1.00 0.00 C ATOM 412 C ALA A 26 283.863 133.335 406.451 1.00 0.00 C ATOM 413 O ALA A 26 282.973 132.588 406.073 1.00 0.00 O ATOM 414 CB ALA A 26 283.683 135.854 406.820 1.00 0.00 C ATOM 0 H ALA A 26 285.022 135.343 408.650 1.00 0.00 H new ATOM 0 HA ALA A 26 282.615 134.287 407.876 1.00 0.00 H new ATOM 0 HB1 ALA A 26 282.939 135.924 406.026 1.00 0.00 H new ATOM 0 HB2 ALA A 26 283.482 136.616 407.573 1.00 0.00 H new ATOM 0 HB3 ALA A 26 284.677 136.011 406.401 1.00 0.00 H new ATOM 420 N ALA A 27 285.151 133.136 406.117 1.00 0.00 N ATOM 421 CA ALA A 27 285.641 131.988 405.405 1.00 0.00 C ATOM 422 C ALA A 27 286.496 131.064 406.302 1.00 0.00 C ATOM 423 O ALA A 27 286.347 129.850 406.242 1.00 0.00 O ATOM 424 CB ALA A 27 286.481 132.650 404.293 1.00 0.00 C ATOM 0 H ALA A 27 285.886 133.803 406.352 1.00 0.00 H new ATOM 0 HA ALA A 27 284.853 131.332 405.035 1.00 0.00 H new ATOM 0 HB1 ALA A 27 286.923 131.878 403.662 1.00 0.00 H new ATOM 0 HB2 ALA A 27 285.841 133.292 403.687 1.00 0.00 H new ATOM 0 HB3 ALA A 27 287.273 133.248 404.743 1.00 0.00 H new ATOM 430 N HIS A 28 287.380 131.569 407.214 1.00 0.00 N ATOM 431 CA HIS A 28 288.379 130.819 408.028 1.00 0.00 C ATOM 432 C HIS A 28 287.942 129.617 408.866 1.00 0.00 C ATOM 433 O HIS A 28 288.759 128.792 409.265 1.00 0.00 O ATOM 434 CB HIS A 28 289.171 131.752 408.972 1.00 0.00 C ATOM 435 CG HIS A 28 290.649 131.526 408.946 1.00 0.00 C ATOM 436 ND1 HIS A 28 291.400 130.395 408.849 1.00 0.00 N flip ATOM 437 CD2 HIS A 28 291.540 132.557 409.090 1.00 0.00 C flip ATOM 438 CE1 HIS A 28 292.741 130.707 408.942 1.00 0.00 C flip ATOM 439 NE2 HIS A 28 292.780 132.013 409.088 1.00 0.00 N flip ATOM 0 H HIS A 28 287.414 132.569 407.410 1.00 0.00 H new ATOM 0 HA HIS A 28 288.967 130.394 407.215 1.00 0.00 H new ATOM 0 HB2 HIS A 28 288.967 132.787 408.699 1.00 0.00 H new ATOM 0 HB3 HIS A 28 288.810 131.614 409.991 1.00 0.00 H new ATOM 0 HD2 HIS A 28 291.299 133.605 409.187 1.00 0.00 H new ATOM 0 HE1 HIS A 28 293.578 130.025 408.903 1.00 0.00 H new ATOM 0 HE2 HIS A 28 293.641 132.551 409.188 1.00 0.00 H new ATOM 447 N LYS A 29 286.616 129.506 409.133 1.00 0.00 N ATOM 448 CA LYS A 29 285.908 128.446 409.837 1.00 0.00 C ATOM 449 C LYS A 29 285.910 127.098 409.107 1.00 0.00 C ATOM 450 O LYS A 29 285.584 126.064 409.675 1.00 0.00 O ATOM 451 CB LYS A 29 284.424 128.913 410.049 1.00 0.00 C ATOM 452 CG LYS A 29 283.500 128.908 408.803 1.00 0.00 C ATOM 453 CD LYS A 29 282.463 130.036 408.646 1.00 0.00 C ATOM 454 CE LYS A 29 281.549 130.339 409.848 1.00 0.00 C ATOM 455 NZ LYS A 29 282.176 131.216 410.861 1.00 0.00 N1+ ATOM 0 H LYS A 29 285.970 130.232 408.825 1.00 0.00 H new ATOM 0 HA LYS A 29 286.431 128.279 410.779 1.00 0.00 H new ATOM 0 HB2 LYS A 29 283.973 128.274 410.808 1.00 0.00 H new ATOM 0 HB3 LYS A 29 284.442 129.925 410.454 1.00 0.00 H new ATOM 0 HG2 LYS A 29 284.137 128.920 407.919 1.00 0.00 H new ATOM 0 HG3 LYS A 29 282.961 127.960 408.795 1.00 0.00 H new ATOM 0 HD2 LYS A 29 282.998 130.951 408.392 1.00 0.00 H new ATOM 0 HD3 LYS A 29 281.828 129.792 407.795 1.00 0.00 H new ATOM 0 HE2 LYS A 29 280.634 130.809 409.489 1.00 0.00 H new ATOM 0 HE3 LYS A 29 281.261 129.400 410.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 281.451 131.827 411.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 282.616 130.632 411.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 282.903 131.806 410.407 1.00 0.00 H new ATOM 469 N TYR A 30 286.228 127.142 407.788 1.00 0.00 N ATOM 470 CA TYR A 30 286.105 126.056 406.827 1.00 0.00 C ATOM 471 C TYR A 30 287.407 125.479 406.278 1.00 0.00 C ATOM 472 O TYR A 30 287.671 124.290 406.402 1.00 0.00 O ATOM 473 CB TYR A 30 285.239 126.670 405.703 1.00 0.00 C ATOM 474 CG TYR A 30 283.762 126.496 405.898 1.00 0.00 C ATOM 475 CD1 TYR A 30 282.969 126.848 404.838 1.00 0.00 C ATOM 476 CD2 TYR A 30 283.131 126.085 407.063 1.00 0.00 C ATOM 477 CE1 TYR A 30 281.612 126.804 404.916 1.00 0.00 C ATOM 478 CE2 TYR A 30 281.756 126.083 407.156 1.00 0.00 C ATOM 479 CZ TYR A 30 280.981 126.412 406.072 1.00 0.00 C ATOM 480 OH TYR A 30 279.587 126.222 406.136 1.00 0.00 O ATOM 0 H TYR A 30 286.596 127.991 407.359 1.00 0.00 H new ATOM 0 HA TYR A 30 285.674 125.182 407.314 1.00 0.00 H new ATOM 0 HB2 TYR A 30 285.461 127.735 405.629 1.00 0.00 H new ATOM 0 HB3 TYR A 30 285.524 126.218 404.753 1.00 0.00 H new ATOM 0 HD1 TYR A 30 283.433 127.169 403.917 1.00 0.00 H new ATOM 0 HD2 TYR A 30 283.724 125.763 407.906 1.00 0.00 H new ATOM 0 HE1 TYR A 30 281.021 127.082 404.056 1.00 0.00 H new ATOM 0 HE2 TYR A 30 281.284 125.820 408.091 1.00 0.00 H new ATOM 0 HH TYR A 30 279.336 125.944 407.042 1.00 0.00 H new ATOM 490 N VAL A 31 288.233 126.328 405.630 1.00 0.00 N ATOM 491 CA VAL A 31 289.530 126.069 405.006 1.00 0.00 C ATOM 492 C VAL A 31 290.079 127.443 405.051 1.00 0.00 C ATOM 493 O VAL A 31 289.287 128.367 404.894 1.00 0.00 O ATOM 494 CB VAL A 31 289.540 125.659 403.512 1.00 0.00 C ATOM 495 CG1 VAL A 31 290.841 125.962 402.716 1.00 0.00 C ATOM 496 CG2 VAL A 31 289.120 124.197 403.470 1.00 0.00 C ATOM 0 H VAL A 31 287.973 127.309 405.525 1.00 0.00 H new ATOM 0 HA VAL A 31 290.032 125.241 405.506 1.00 0.00 H new ATOM 0 HB VAL A 31 288.837 126.295 402.973 1.00 0.00 H new ATOM 0 HG11 VAL A 31 290.723 125.629 401.685 1.00 0.00 H new ATOM 0 HG12 VAL A 31 291.035 127.034 402.731 1.00 0.00 H new ATOM 0 HG13 VAL A 31 291.679 125.436 403.174 1.00 0.00 H new ATOM 0 HG21 VAL A 31 289.109 123.851 402.436 1.00 0.00 H new ATOM 0 HG22 VAL A 31 289.827 123.599 404.045 1.00 0.00 H new ATOM 0 HG23 VAL A 31 288.123 124.092 403.898 1.00 0.00 H new ATOM 506 N PRO A 32 291.342 127.711 405.298 1.00 0.00 N ATOM 507 CA PRO A 32 291.802 129.081 405.332 1.00 0.00 C ATOM 508 C PRO A 32 292.126 129.757 403.992 1.00 0.00 C ATOM 509 O PRO A 32 291.811 130.930 403.924 1.00 0.00 O ATOM 510 CB PRO A 32 293.042 128.885 406.222 1.00 0.00 C ATOM 511 CG PRO A 32 293.592 127.494 405.932 1.00 0.00 C ATOM 512 CD PRO A 32 292.291 126.731 405.833 1.00 0.00 C ATOM 0 HA PRO A 32 291.038 129.776 405.680 1.00 0.00 H new ATOM 0 HB2 PRO A 32 293.792 129.647 406.009 1.00 0.00 H new ATOM 0 HB3 PRO A 32 292.778 128.982 407.275 1.00 0.00 H new ATOM 0 HG2 PRO A 32 294.172 127.456 405.010 1.00 0.00 H new ATOM 0 HG3 PRO A 32 294.236 127.123 406.729 1.00 0.00 H new ATOM 0 HD2 PRO A 32 292.385 125.867 405.175 1.00 0.00 H new ATOM 0 HD3 PRO A 32 291.973 126.358 406.806 1.00 0.00 H new ATOM 520 N SER A 33 292.724 129.101 402.958 1.00 0.00 N ATOM 521 CA SER A 33 293.026 129.671 401.633 1.00 0.00 C ATOM 522 C SER A 33 293.717 128.646 400.734 1.00 0.00 C ATOM 523 O SER A 33 293.833 127.471 401.112 1.00 0.00 O ATOM 524 CB SER A 33 293.248 131.209 401.353 1.00 0.00 C ATOM 525 OG SER A 33 292.276 131.771 400.471 1.00 0.00 O ATOM 0 H SER A 33 293.015 128.127 403.037 1.00 0.00 H new ATOM 0 HA SER A 33 292.016 129.888 401.285 1.00 0.00 H new ATOM 0 HB2 SER A 33 293.225 131.750 402.299 1.00 0.00 H new ATOM 0 HB3 SER A 33 294.241 131.354 400.927 1.00 0.00 H new ATOM 0 HG SER A 33 291.397 131.763 400.905 1.00 0.00 H new ATOM 531 N TYR A 34 294.144 129.039 399.484 1.00 0.00 N ATOM 532 CA TYR A 34 294.758 128.300 398.340 1.00 0.00 C ATOM 533 C TYR A 34 295.872 127.285 398.632 1.00 0.00 C ATOM 534 O TYR A 34 296.105 126.338 397.881 1.00 0.00 O ATOM 535 CB TYR A 34 295.329 129.319 397.303 1.00 0.00 C ATOM 536 CG TYR A 34 294.406 130.484 397.045 1.00 0.00 C ATOM 537 CD1 TYR A 34 294.511 131.601 397.852 1.00 0.00 C ATOM 538 CD2 TYR A 34 293.513 130.503 395.981 1.00 0.00 C ATOM 539 CE1 TYR A 34 293.741 132.709 397.601 1.00 0.00 C ATOM 540 CE2 TYR A 34 292.791 131.650 395.671 1.00 0.00 C ATOM 541 CZ TYR A 34 292.928 132.743 396.505 1.00 0.00 C ATOM 542 OH TYR A 34 292.449 133.993 396.107 1.00 0.00 O ATOM 0 H TYR A 34 294.047 130.022 399.231 1.00 0.00 H new ATOM 0 HA TYR A 34 293.921 127.702 397.980 1.00 0.00 H new ATOM 0 HB2 TYR A 34 296.287 129.695 397.662 1.00 0.00 H new ATOM 0 HB3 TYR A 34 295.522 128.802 396.363 1.00 0.00 H new ATOM 0 HD1 TYR A 34 295.201 131.602 398.683 1.00 0.00 H new ATOM 0 HD2 TYR A 34 293.377 129.613 395.385 1.00 0.00 H new ATOM 0 HE1 TYR A 34 293.778 133.555 398.271 1.00 0.00 H new ATOM 0 HE2 TYR A 34 292.144 131.685 394.807 1.00 0.00 H new ATOM 0 HH TYR A 34 293.033 134.360 395.411 1.00 0.00 H new ATOM 552 N ALA A 35 296.508 127.445 399.815 1.00 0.00 N ATOM 553 CA ALA A 35 297.516 126.623 400.447 1.00 0.00 C ATOM 554 C ALA A 35 296.992 125.321 400.989 1.00 0.00 C ATOM 555 O ALA A 35 297.494 124.245 400.678 1.00 0.00 O ATOM 556 CB ALA A 35 298.068 127.445 401.648 1.00 0.00 C ATOM 0 H ALA A 35 296.288 128.251 400.401 1.00 0.00 H new ATOM 0 HA ALA A 35 298.264 126.373 399.695 1.00 0.00 H new ATOM 0 HB1 ALA A 35 298.836 126.867 402.162 1.00 0.00 H new ATOM 0 HB2 ALA A 35 298.499 128.378 401.283 1.00 0.00 H new ATOM 0 HB3 ALA A 35 297.256 127.667 402.341 1.00 0.00 H new ATOM 562 N PHE A 36 295.873 125.410 401.761 1.00 0.00 N ATOM 563 CA PHE A 36 295.086 124.294 402.252 1.00 0.00 C ATOM 564 C PHE A 36 294.280 123.753 401.067 1.00 0.00 C ATOM 565 O PHE A 36 294.268 122.548 400.827 1.00 0.00 O ATOM 566 CB PHE A 36 294.213 124.717 403.487 1.00 0.00 C ATOM 567 CG PHE A 36 293.262 123.598 404.003 1.00 0.00 C ATOM 568 CD1 PHE A 36 293.420 123.016 405.252 1.00 0.00 C ATOM 569 CD2 PHE A 36 292.203 123.108 403.242 1.00 0.00 C ATOM 570 CE1 PHE A 36 292.544 122.036 405.705 1.00 0.00 C ATOM 571 CE2 PHE A 36 291.388 122.079 403.640 1.00 0.00 C ATOM 572 CZ PHE A 36 291.514 121.574 404.904 1.00 0.00 C ATOM 0 H PHE A 36 295.497 126.310 402.059 1.00 0.00 H new ATOM 0 HA PHE A 36 295.718 123.492 402.633 1.00 0.00 H new ATOM 0 HB2 PHE A 36 294.874 125.021 404.299 1.00 0.00 H new ATOM 0 HB3 PHE A 36 293.618 125.589 403.217 1.00 0.00 H new ATOM 0 HD1 PHE A 36 294.238 123.330 405.884 1.00 0.00 H new ATOM 0 HD2 PHE A 36 292.013 123.565 402.282 1.00 0.00 H new ATOM 0 HE1 PHE A 36 292.669 121.629 406.697 1.00 0.00 H new ATOM 0 HE2 PHE A 36 290.654 121.672 402.961 1.00 0.00 H new ATOM 0 HZ PHE A 36 290.823 120.829 405.271 1.00 0.00 H new ATOM 582 N LEU A 37 293.585 124.640 400.274 1.00 0.00 N ATOM 583 CA LEU A 37 292.798 124.182 399.104 1.00 0.00 C ATOM 584 C LEU A 37 293.576 123.459 397.986 1.00 0.00 C ATOM 585 O LEU A 37 293.033 122.542 397.361 1.00 0.00 O ATOM 586 CB LEU A 37 291.644 125.093 398.581 1.00 0.00 C ATOM 587 CG LEU A 37 291.907 126.587 398.506 1.00 0.00 C ATOM 588 CD1 LEU A 37 291.881 127.089 397.056 1.00 0.00 C ATOM 589 CD2 LEU A 37 290.994 127.495 399.329 1.00 0.00 C ATOM 0 H LEU A 37 293.562 125.648 400.430 1.00 0.00 H new ATOM 0 HA LEU A 37 292.245 123.390 399.610 1.00 0.00 H new ATOM 0 HB2 LEU A 37 291.371 124.749 397.583 1.00 0.00 H new ATOM 0 HB3 LEU A 37 290.776 124.936 399.221 1.00 0.00 H new ATOM 0 HG LEU A 37 292.897 126.665 398.955 1.00 0.00 H new ATOM 0 HD11 LEU A 37 292.073 128.162 397.039 1.00 0.00 H new ATOM 0 HD12 LEU A 37 292.649 126.574 396.479 1.00 0.00 H new ATOM 0 HD13 LEU A 37 290.903 126.888 396.619 1.00 0.00 H new ATOM 0 HD21 LEU A 37 291.290 128.534 399.186 1.00 0.00 H new ATOM 0 HD22 LEU A 37 289.962 127.363 399.005 1.00 0.00 H new ATOM 0 HD23 LEU A 37 291.079 127.236 400.384 1.00 0.00 H new ATOM 601 N ARG A 38 294.904 123.767 397.756 1.00 0.00 N ATOM 602 CA ARG A 38 295.714 122.961 396.822 1.00 0.00 C ATOM 603 C ARG A 38 296.047 121.553 397.342 1.00 0.00 C ATOM 604 O ARG A 38 295.939 120.576 396.604 1.00 0.00 O ATOM 605 CB ARG A 38 297.027 123.698 396.457 1.00 0.00 C ATOM 606 CG ARG A 38 297.994 122.951 395.518 1.00 0.00 C ATOM 607 CD ARG A 38 298.982 123.869 394.788 1.00 0.00 C ATOM 608 NE ARG A 38 299.861 124.544 395.805 1.00 0.00 N ATOM 609 CZ ARG A 38 300.852 125.428 395.468 1.00 0.00 C ATOM 610 NH1 ARG A 38 301.088 125.750 394.162 1.00 0.00 N1+ ATOM 611 NH2 ARG A 38 301.606 125.996 396.452 1.00 0.00 N ATOM 0 H ARG A 38 295.401 124.541 398.196 1.00 0.00 H new ATOM 0 HA ARG A 38 295.093 122.833 395.935 1.00 0.00 H new ATOM 0 HB2 ARG A 38 296.767 124.649 395.993 1.00 0.00 H new ATOM 0 HB3 ARG A 38 297.558 123.928 397.381 1.00 0.00 H new ATOM 0 HG2 ARG A 38 298.555 122.218 396.098 1.00 0.00 H new ATOM 0 HG3 ARG A 38 297.414 122.397 394.780 1.00 0.00 H new ATOM 0 HD2 ARG A 38 299.588 123.292 394.090 1.00 0.00 H new ATOM 0 HD3 ARG A 38 298.443 124.613 394.202 1.00 0.00 H new ATOM 0 HE ARG A 38 299.712 124.334 396.792 1.00 0.00 H new ATOM 0 HH11 ARG A 38 300.523 125.331 393.423 1.00 0.00 H new ATOM 0 HH12 ARG A 38 301.829 126.410 393.925 1.00 0.00 H new ATOM 0 HH21 ARG A 38 301.430 125.762 397.429 1.00 0.00 H new ATOM 0 HH22 ARG A 38 302.346 126.655 396.211 1.00 0.00 H new ATOM 625 N ARG A 39 296.390 121.407 398.660 1.00 0.00 N ATOM 626 CA ARG A 39 296.594 120.127 399.361 1.00 0.00 C ATOM 627 C ARG A 39 295.292 119.326 399.546 1.00 0.00 C ATOM 628 O ARG A 39 295.290 118.099 399.481 1.00 0.00 O ATOM 629 CB ARG A 39 297.393 120.254 400.693 1.00 0.00 C ATOM 630 CG ARG A 39 298.925 120.385 400.504 1.00 0.00 C ATOM 631 CD ARG A 39 299.408 121.753 399.989 1.00 0.00 C ATOM 632 NE ARG A 39 300.895 121.717 399.751 1.00 0.00 N ATOM 633 CZ ARG A 39 301.473 121.427 398.542 1.00 0.00 C ATOM 634 NH1 ARG A 39 300.712 121.119 397.452 1.00 0.00 N1+ ATOM 635 NH2 ARG A 39 302.833 121.444 398.430 1.00 0.00 N ATOM 0 H ARG A 39 296.533 122.212 399.270 1.00 0.00 H new ATOM 0 HA ARG A 39 297.228 119.548 398.689 1.00 0.00 H new ATOM 0 HB2 ARG A 39 297.030 121.124 401.240 1.00 0.00 H new ATOM 0 HB3 ARG A 39 297.188 119.380 401.312 1.00 0.00 H new ATOM 0 HG2 ARG A 39 299.411 120.182 401.458 1.00 0.00 H new ATOM 0 HG3 ARG A 39 299.256 119.615 399.807 1.00 0.00 H new ATOM 0 HD2 ARG A 39 298.889 122.007 399.065 1.00 0.00 H new ATOM 0 HD3 ARG A 39 299.166 122.530 400.714 1.00 0.00 H new ATOM 0 HE ARG A 39 301.510 121.921 400.538 1.00 0.00 H new ATOM 0 HH11 ARG A 39 299.695 121.102 397.528 1.00 0.00 H new ATOM 0 HH12 ARG A 39 301.160 120.906 396.561 1.00 0.00 H new ATOM 0 HH21 ARG A 39 303.409 121.671 399.241 1.00 0.00 H new ATOM 0 HH22 ARG A 39 303.274 121.230 397.535 1.00 0.00 H new ATOM 649 N GLU A 40 294.139 120.032 399.753 1.00 0.00 N ATOM 650 CA GLU A 40 292.785 119.487 399.851 1.00 0.00 C ATOM 651 C GLU A 40 292.222 118.975 398.526 1.00 0.00 C ATOM 652 O GLU A 40 291.636 117.895 398.505 1.00 0.00 O ATOM 653 CB GLU A 40 291.792 120.518 400.458 1.00 0.00 C ATOM 654 CG GLU A 40 290.351 120.022 400.731 1.00 0.00 C ATOM 655 CD GLU A 40 290.341 118.820 401.676 1.00 0.00 C ATOM 656 OE1 GLU A 40 289.822 117.747 401.262 1.00 0.00 O ATOM 657 OE2 GLU A 40 290.845 118.956 402.822 1.00 0.00 O1- ATOM 0 H GLU A 40 294.151 121.046 399.859 1.00 0.00 H new ATOM 0 HA GLU A 40 292.885 118.630 400.517 1.00 0.00 H new ATOM 0 HB2 GLU A 40 292.210 120.880 401.397 1.00 0.00 H new ATOM 0 HB3 GLU A 40 291.735 121.373 399.784 1.00 0.00 H new ATOM 0 HG2 GLU A 40 289.763 120.831 401.164 1.00 0.00 H new ATOM 0 HG3 GLU A 40 289.874 119.750 399.789 1.00 0.00 H new ATOM 664 N LEU A 41 292.370 119.707 397.375 1.00 0.00 N ATOM 665 CA LEU A 41 291.812 119.153 396.132 1.00 0.00 C ATOM 666 C LEU A 41 292.778 118.265 395.350 1.00 0.00 C ATOM 667 O LEU A 41 292.362 117.628 394.387 1.00 0.00 O ATOM 668 CB LEU A 41 291.423 120.291 395.140 1.00 0.00 C ATOM 669 CG LEU A 41 290.161 121.100 395.493 1.00 0.00 C ATOM 670 CD1 LEU A 41 290.106 122.310 394.552 1.00 0.00 C ATOM 671 CD2 LEU A 41 288.857 120.287 395.374 1.00 0.00 C ATOM 0 H LEU A 41 292.836 120.611 397.296 1.00 0.00 H new ATOM 0 HA LEU A 41 290.959 118.565 396.471 1.00 0.00 H new ATOM 0 HB2 LEU A 41 292.263 120.982 395.065 1.00 0.00 H new ATOM 0 HB3 LEU A 41 291.283 119.851 394.152 1.00 0.00 H new ATOM 0 HG LEU A 41 290.232 121.400 396.539 1.00 0.00 H new ATOM 0 HD11 LEU A 41 289.221 122.906 394.776 1.00 0.00 H new ATOM 0 HD12 LEU A 41 290.999 122.920 394.691 1.00 0.00 H new ATOM 0 HD13 LEU A 41 290.059 121.966 393.519 1.00 0.00 H new ATOM 0 HD21 LEU A 41 288.009 120.919 395.637 1.00 0.00 H new ATOM 0 HD22 LEU A 41 288.741 119.933 394.350 1.00 0.00 H new ATOM 0 HD23 LEU A 41 288.897 119.434 396.051 1.00 0.00 H new ATOM 683 N GLY A 42 294.098 118.203 395.710 1.00 0.00 N ATOM 684 CA GLY A 42 295.123 117.376 395.030 1.00 0.00 C ATOM 685 C GLY A 42 295.521 117.886 393.651 1.00 0.00 C ATOM 686 O GLY A 42 296.099 117.192 392.821 1.00 0.00 O ATOM 0 H GLY A 42 294.475 118.737 396.493 1.00 0.00 H new ATOM 0 HA2 GLY A 42 296.012 117.330 395.659 1.00 0.00 H new ATOM 0 HA3 GLY A 42 294.747 116.357 394.934 1.00 0.00 H new ATOM 690 N LEU A 43 295.103 119.137 393.381 1.00 0.00 N ATOM 691 CA LEU A 43 295.097 119.805 392.102 1.00 0.00 C ATOM 692 C LEU A 43 296.052 120.975 392.175 1.00 0.00 C ATOM 693 O LEU A 43 295.972 121.782 393.098 1.00 0.00 O ATOM 694 CB LEU A 43 293.617 120.264 391.985 1.00 0.00 C ATOM 695 CG LEU A 43 293.183 121.148 390.809 1.00 0.00 C ATOM 696 CD1 LEU A 43 293.012 120.373 389.497 1.00 0.00 C ATOM 697 CD2 LEU A 43 291.879 121.862 391.211 1.00 0.00 C ATOM 0 H LEU A 43 294.736 119.737 394.120 1.00 0.00 H new ATOM 0 HA LEU A 43 295.411 119.203 391.249 1.00 0.00 H new ATOM 0 HB2 LEU A 43 292.999 119.366 391.962 1.00 0.00 H new ATOM 0 HB3 LEU A 43 293.369 120.798 392.902 1.00 0.00 H new ATOM 0 HG LEU A 43 293.973 121.871 390.608 1.00 0.00 H new ATOM 0 HD11 LEU A 43 292.704 121.058 388.707 1.00 0.00 H new ATOM 0 HD12 LEU A 43 293.958 119.906 389.224 1.00 0.00 H new ATOM 0 HD13 LEU A 43 292.252 119.603 389.626 1.00 0.00 H new ATOM 0 HD21 LEU A 43 291.546 122.499 390.392 1.00 0.00 H new ATOM 0 HD22 LEU A 43 291.111 121.120 391.429 1.00 0.00 H new ATOM 0 HD23 LEU A 43 292.056 122.472 392.097 1.00 0.00 H new ATOM 709 N SER A 44 296.962 121.140 391.178 1.00 0.00 N ATOM 710 CA SER A 44 298.038 122.131 391.147 1.00 0.00 C ATOM 711 C SER A 44 297.650 123.498 390.596 1.00 0.00 C ATOM 712 O SER A 44 298.477 124.230 390.051 1.00 0.00 O ATOM 713 CB SER A 44 299.214 121.526 390.330 1.00 0.00 C ATOM 714 OG SER A 44 298.766 121.081 389.046 1.00 0.00 O ATOM 0 H SER A 44 296.953 120.553 390.344 1.00 0.00 H new ATOM 0 HA SER A 44 298.317 122.333 392.181 1.00 0.00 H new ATOM 0 HB2 SER A 44 299.999 122.272 390.208 1.00 0.00 H new ATOM 0 HB3 SER A 44 299.651 120.691 390.877 1.00 0.00 H new ATOM 0 HG SER A 44 299.522 120.706 388.548 1.00 0.00 H new ATOM 720 N SER A 45 296.352 123.869 390.732 1.00 0.00 N ATOM 721 CA SER A 45 295.744 125.097 390.228 1.00 0.00 C ATOM 722 C SER A 45 296.098 126.386 390.954 1.00 0.00 C ATOM 723 O SER A 45 295.757 127.441 390.430 1.00 0.00 O ATOM 724 CB SER A 45 294.181 125.007 390.106 1.00 0.00 C ATOM 725 OG SER A 45 293.812 123.948 389.226 1.00 0.00 O ATOM 0 H SER A 45 295.679 123.281 391.223 1.00 0.00 H new ATOM 0 HA SER A 45 296.203 125.165 389.241 1.00 0.00 H new ATOM 0 HB2 SER A 45 293.742 124.841 391.090 1.00 0.00 H new ATOM 0 HB3 SER A 45 293.784 125.952 389.735 1.00 0.00 H new ATOM 0 HG SER A 45 293.441 124.323 388.400 1.00 0.00 H new ATOM 731 N ALA A 46 296.780 126.391 392.149 1.00 0.00 N ATOM 732 CA ALA A 46 296.926 127.609 392.966 1.00 0.00 C ATOM 733 C ALA A 46 297.805 128.742 392.444 1.00 0.00 C ATOM 734 O ALA A 46 297.622 129.872 392.884 1.00 0.00 O ATOM 735 CB ALA A 46 297.356 127.278 394.413 1.00 0.00 C ATOM 0 H ALA A 46 297.226 125.565 392.548 1.00 0.00 H new ATOM 0 HA ALA A 46 295.913 128.009 392.912 1.00 0.00 H new ATOM 0 HB1 ALA A 46 297.453 128.201 394.984 1.00 0.00 H new ATOM 0 HB2 ALA A 46 296.605 126.640 394.879 1.00 0.00 H new ATOM 0 HB3 ALA A 46 298.314 126.758 394.398 1.00 0.00 H new ATOM 741 N HIS A 47 298.689 128.491 391.432 1.00 0.00 N ATOM 742 CA HIS A 47 299.546 129.452 390.724 1.00 0.00 C ATOM 743 C HIS A 47 298.893 130.716 390.128 1.00 0.00 C ATOM 744 O HIS A 47 299.549 131.752 390.066 1.00 0.00 O ATOM 745 CB HIS A 47 300.373 128.739 389.612 1.00 0.00 C ATOM 746 CG HIS A 47 301.513 127.896 390.128 1.00 0.00 C ATOM 747 ND1 HIS A 47 302.441 128.350 391.041 1.00 0.00 N ATOM 748 CD2 HIS A 47 301.973 126.680 389.717 1.00 0.00 C ATOM 749 CE1 HIS A 47 303.403 127.400 391.141 1.00 0.00 C ATOM 750 NE2 HIS A 47 303.167 126.373 390.351 1.00 0.00 N ATOM 0 H HIS A 47 298.819 127.544 391.077 1.00 0.00 H new ATOM 0 HA HIS A 47 300.169 129.834 391.533 1.00 0.00 H new ATOM 0 HB2 HIS A 47 299.705 128.106 389.028 1.00 0.00 H new ATOM 0 HB3 HIS A 47 300.772 129.493 388.933 1.00 0.00 H new ATOM 0 HD2 HIS A 47 301.477 126.045 388.998 1.00 0.00 H new ATOM 0 HE1 HIS A 47 304.262 127.476 391.792 1.00 0.00 H new ATOM 0 HE2 HIS A 47 303.737 125.536 390.232 1.00 0.00 H new ATOM 758 N THR A 48 297.602 130.669 389.685 1.00 0.00 N ATOM 759 CA THR A 48 296.874 131.840 389.192 1.00 0.00 C ATOM 760 C THR A 48 295.493 131.841 389.834 1.00 0.00 C ATOM 761 O THR A 48 294.789 130.819 389.883 1.00 0.00 O ATOM 762 CB THR A 48 296.833 132.079 387.649 1.00 0.00 C ATOM 763 OG1 THR A 48 295.745 131.495 386.938 1.00 0.00 O ATOM 764 CG2 THR A 48 298.119 131.583 386.963 1.00 0.00 C ATOM 0 H THR A 48 297.052 129.810 389.667 1.00 0.00 H new ATOM 0 HA THR A 48 297.459 132.707 389.500 1.00 0.00 H new ATOM 0 HB THR A 48 296.713 133.161 387.596 1.00 0.00 H new ATOM 0 HG1 THR A 48 295.823 131.712 385.985 1.00 0.00 H new ATOM 0 HG21 THR A 48 298.053 131.766 385.891 1.00 0.00 H new ATOM 0 HG22 THR A 48 298.978 132.117 387.370 1.00 0.00 H new ATOM 0 HG23 THR A 48 298.238 130.514 387.142 1.00 0.00 H new ATOM 772 N ASN A 49 295.029 133.046 390.300 1.00 0.00 N ATOM 773 CA ASN A 49 293.721 133.257 390.930 1.00 0.00 C ATOM 774 C ASN A 49 292.550 133.012 389.999 1.00 0.00 C ATOM 775 O ASN A 49 291.500 132.557 390.425 1.00 0.00 O ATOM 776 CB ASN A 49 293.572 134.652 391.609 1.00 0.00 C ATOM 777 CG ASN A 49 292.929 134.462 392.981 1.00 0.00 C ATOM 778 OD1 ASN A 49 293.602 133.881 393.833 1.00 0.00 O ATOM 779 ND2 ASN A 49 291.678 134.925 393.241 1.00 0.00 N ATOM 0 H ASN A 49 295.580 133.902 390.237 1.00 0.00 H new ATOM 0 HA ASN A 49 293.691 132.498 391.712 1.00 0.00 H new ATOM 0 HB2 ASN A 49 294.547 135.129 391.711 1.00 0.00 H new ATOM 0 HB3 ASN A 49 292.959 135.309 390.992 1.00 0.00 H new ATOM 0 HD21 ASN A 49 291.268 134.796 394.166 1.00 0.00 H new ATOM 0 HD22 ASN A 49 291.149 135.402 392.511 1.00 0.00 H new ATOM 786 N ARG A 50 292.741 133.248 388.673 1.00 0.00 N ATOM 787 CA ARG A 50 291.762 132.927 387.648 1.00 0.00 C ATOM 788 C ARG A 50 291.631 131.438 387.333 1.00 0.00 C ATOM 789 O ARG A 50 290.513 130.974 387.162 1.00 0.00 O ATOM 790 CB ARG A 50 291.897 133.823 386.398 1.00 0.00 C ATOM 791 CG ARG A 50 291.895 135.335 386.737 1.00 0.00 C ATOM 792 CD ARG A 50 290.773 135.808 387.690 1.00 0.00 C ATOM 793 NE ARG A 50 289.424 135.450 387.112 1.00 0.00 N ATOM 794 CZ ARG A 50 288.354 135.037 387.863 1.00 0.00 C ATOM 795 NH1 ARG A 50 288.447 134.911 389.218 1.00 0.00 N1+ ATOM 796 NH2 ARG A 50 287.176 134.739 387.241 1.00 0.00 N ATOM 0 H ARG A 50 293.592 133.670 388.303 1.00 0.00 H new ATOM 0 HA ARG A 50 290.798 133.175 388.092 1.00 0.00 H new ATOM 0 HB2 ARG A 50 292.821 133.574 385.877 1.00 0.00 H new ATOM 0 HB3 ARG A 50 291.077 133.608 385.713 1.00 0.00 H new ATOM 0 HG2 ARG A 50 292.856 135.590 387.183 1.00 0.00 H new ATOM 0 HG3 ARG A 50 291.817 135.897 385.806 1.00 0.00 H new ATOM 0 HD2 ARG A 50 290.894 135.343 388.668 1.00 0.00 H new ATOM 0 HD3 ARG A 50 290.840 136.886 387.839 1.00 0.00 H new ATOM 0 HE ARG A 50 289.302 135.520 386.102 1.00 0.00 H new ATOM 0 HH11 ARG A 50 289.325 135.126 389.691 1.00 0.00 H new ATOM 0 HH12 ARG A 50 287.639 134.602 389.758 1.00 0.00 H new ATOM 0 HH21 ARG A 50 287.098 134.825 386.228 1.00 0.00 H new ATOM 0 HH22 ARG A 50 286.373 134.431 387.790 1.00 0.00 H new ATOM 810 N LYS A 51 292.745 130.639 387.280 1.00 0.00 N ATOM 811 CA LYS A 51 292.720 129.176 387.066 1.00 0.00 C ATOM 812 C LYS A 51 292.217 128.381 388.275 1.00 0.00 C ATOM 813 O LYS A 51 291.328 127.507 388.174 1.00 0.00 O ATOM 814 CB LYS A 51 294.074 128.617 386.566 1.00 0.00 C ATOM 815 CG LYS A 51 294.430 129.075 385.140 1.00 0.00 C ATOM 816 CD LYS A 51 295.784 128.521 384.674 1.00 0.00 C ATOM 817 CE LYS A 51 296.222 129.089 383.319 1.00 0.00 C ATOM 818 NZ LYS A 51 297.538 128.545 382.913 1.00 0.00 N1+ ATOM 0 H LYS A 51 293.689 131.010 387.387 1.00 0.00 H new ATOM 0 HA LYS A 51 291.987 129.034 386.272 1.00 0.00 H new ATOM 0 HB2 LYS A 51 294.864 128.930 387.249 1.00 0.00 H new ATOM 0 HB3 LYS A 51 294.042 127.528 386.594 1.00 0.00 H new ATOM 0 HG2 LYS A 51 293.650 128.751 384.451 1.00 0.00 H new ATOM 0 HG3 LYS A 51 294.454 130.164 385.105 1.00 0.00 H new ATOM 0 HD2 LYS A 51 296.543 128.751 385.422 1.00 0.00 H new ATOM 0 HD3 LYS A 51 295.723 127.435 384.605 1.00 0.00 H new ATOM 0 HE2 LYS A 51 295.476 128.848 382.562 1.00 0.00 H new ATOM 0 HE3 LYS A 51 296.277 130.176 383.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 297.810 128.946 381.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 298.253 128.797 383.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 297.477 127.510 382.835 1.00 0.00 H new ATOM 832 N VAL A 52 292.730 128.725 389.518 1.00 0.00 N ATOM 833 CA VAL A 52 292.231 128.114 390.773 1.00 0.00 C ATOM 834 C VAL A 52 290.819 128.503 391.044 1.00 0.00 C ATOM 835 O VAL A 52 290.014 127.602 391.217 1.00 0.00 O ATOM 836 CB VAL A 52 293.057 128.259 392.073 1.00 0.00 C ATOM 837 CG1 VAL A 52 293.143 129.713 392.592 1.00 0.00 C ATOM 838 CG2 VAL A 52 292.619 127.242 393.179 1.00 0.00 C ATOM 0 H VAL A 52 293.473 129.410 389.654 1.00 0.00 H new ATOM 0 HA VAL A 52 292.338 127.057 390.531 1.00 0.00 H new ATOM 0 HB VAL A 52 294.079 127.994 391.801 1.00 0.00 H new ATOM 0 HG11 VAL A 52 293.737 129.739 393.506 1.00 0.00 H new ATOM 0 HG12 VAL A 52 293.613 130.342 391.836 1.00 0.00 H new ATOM 0 HG13 VAL A 52 292.140 130.085 392.801 1.00 0.00 H new ATOM 0 HG21 VAL A 52 293.231 127.387 394.069 1.00 0.00 H new ATOM 0 HG22 VAL A 52 291.571 127.405 393.428 1.00 0.00 H new ATOM 0 HG23 VAL A 52 292.750 126.225 392.810 1.00 0.00 H new ATOM 848 N TRP A 53 290.444 129.822 390.966 1.00 0.00 N ATOM 849 CA TRP A 53 289.069 130.326 391.066 1.00 0.00 C ATOM 850 C TRP A 53 288.124 129.753 390.044 1.00 0.00 C ATOM 851 O TRP A 53 286.962 129.539 390.336 1.00 0.00 O ATOM 852 CB TRP A 53 288.833 131.800 391.425 1.00 0.00 C ATOM 853 CG TRP A 53 289.085 132.294 392.833 1.00 0.00 C ATOM 854 CD1 TRP A 53 288.582 133.485 393.272 1.00 0.00 C ATOM 855 CD2 TRP A 53 289.470 131.558 394.016 1.00 0.00 C ATOM 856 NE1 TRP A 53 288.729 133.589 394.632 1.00 0.00 N ATOM 857 CE2 TRP A 53 289.280 132.410 395.099 1.00 0.00 C ATOM 858 CE3 TRP A 53 289.879 130.265 394.218 1.00 0.00 C ATOM 859 CZ2 TRP A 53 289.536 131.984 396.369 1.00 0.00 C ATOM 860 CZ3 TRP A 53 290.140 129.847 395.497 1.00 0.00 C ATOM 861 CH2 TRP A 53 289.996 130.698 396.559 1.00 0.00 C ATOM 0 H TRP A 53 291.125 130.569 390.828 1.00 0.00 H new ATOM 0 HA TRP A 53 288.780 129.887 392.021 1.00 0.00 H new ATOM 0 HB2 TRP A 53 289.454 132.398 390.758 1.00 0.00 H new ATOM 0 HB3 TRP A 53 287.795 132.028 391.184 1.00 0.00 H new ATOM 0 HD1 TRP A 53 288.133 134.237 392.640 1.00 0.00 H new ATOM 0 HE1 TRP A 53 288.475 134.397 395.201 1.00 0.00 H new ATOM 0 HE3 TRP A 53 289.993 129.588 393.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 289.381 132.642 397.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 290.464 128.831 395.669 1.00 0.00 H new ATOM 0 HH2 TRP A 53 290.245 130.360 397.554 1.00 0.00 H new ATOM 872 N LYS A 54 288.610 129.407 388.829 1.00 0.00 N ATOM 873 CA LYS A 54 287.860 128.603 387.864 1.00 0.00 C ATOM 874 C LYS A 54 287.607 127.178 388.340 1.00 0.00 C ATOM 875 O LYS A 54 286.449 126.788 388.410 1.00 0.00 O ATOM 876 CB LYS A 54 288.663 128.578 386.544 1.00 0.00 C ATOM 877 CG LYS A 54 288.609 127.384 385.561 1.00 0.00 C ATOM 878 CD LYS A 54 287.239 127.011 384.952 1.00 0.00 C ATOM 879 CE LYS A 54 286.626 128.081 384.032 1.00 0.00 C ATOM 880 NZ LYS A 54 286.020 129.204 384.788 1.00 0.00 N1+ ATOM 0 H LYS A 54 289.535 129.683 388.500 1.00 0.00 H new ATOM 0 HA LYS A 54 286.879 129.058 387.731 1.00 0.00 H new ATOM 0 HB2 LYS A 54 288.363 129.461 385.979 1.00 0.00 H new ATOM 0 HB3 LYS A 54 289.710 128.713 386.813 1.00 0.00 H new ATOM 0 HG2 LYS A 54 289.294 127.596 384.740 1.00 0.00 H new ATOM 0 HG3 LYS A 54 288.995 126.506 386.079 1.00 0.00 H new ATOM 0 HD2 LYS A 54 287.349 126.086 384.386 1.00 0.00 H new ATOM 0 HD3 LYS A 54 286.540 126.807 385.763 1.00 0.00 H new ATOM 0 HE2 LYS A 54 287.398 128.470 383.368 1.00 0.00 H new ATOM 0 HE3 LYS A 54 285.866 127.620 383.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 285.106 129.457 384.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 285.873 128.917 385.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 286.656 130.026 384.757 1.00 0.00 H new ATOM 894 N LYS A 55 288.624 126.358 388.754 1.00 0.00 N ATOM 895 CA LYS A 55 288.316 125.007 389.297 1.00 0.00 C ATOM 896 C LYS A 55 287.523 124.998 390.627 1.00 0.00 C ATOM 897 O LYS A 55 286.600 124.209 390.872 1.00 0.00 O ATOM 898 CB LYS A 55 289.589 124.143 389.443 1.00 0.00 C ATOM 899 CG LYS A 55 290.468 124.068 388.186 1.00 0.00 C ATOM 900 CD LYS A 55 289.704 123.490 386.994 1.00 0.00 C ATOM 901 CE LYS A 55 290.582 123.261 385.759 1.00 0.00 C ATOM 902 NZ LYS A 55 291.610 122.223 386.004 1.00 0.00 N1+ ATOM 0 H LYS A 55 289.615 126.598 388.723 1.00 0.00 H new ATOM 0 HA LYS A 55 287.656 124.570 388.548 1.00 0.00 H new ATOM 0 HB2 LYS A 55 290.187 124.539 390.264 1.00 0.00 H new ATOM 0 HB3 LYS A 55 289.294 123.132 389.723 1.00 0.00 H new ATOM 0 HG2 LYS A 55 290.831 125.065 387.936 1.00 0.00 H new ATOM 0 HG3 LYS A 55 291.343 123.452 388.391 1.00 0.00 H new ATOM 0 HD2 LYS A 55 289.250 122.544 387.288 1.00 0.00 H new ATOM 0 HD3 LYS A 55 288.890 124.166 386.731 1.00 0.00 H new ATOM 0 HE2 LYS A 55 289.956 122.963 384.918 1.00 0.00 H new ATOM 0 HE3 LYS A 55 291.068 124.196 385.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 292.072 121.973 385.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 292.321 122.589 386.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 291.160 121.377 386.409 1.00 0.00 H new ATOM 916 N PHE A 56 287.840 126.017 391.462 1.00 0.00 N ATOM 917 CA PHE A 56 287.148 126.317 392.727 1.00 0.00 C ATOM 918 C PHE A 56 285.698 126.809 392.537 1.00 0.00 C ATOM 919 O PHE A 56 284.713 126.320 393.096 1.00 0.00 O ATOM 920 CB PHE A 56 287.989 127.329 393.559 1.00 0.00 C ATOM 921 CG PHE A 56 288.208 126.864 394.950 1.00 0.00 C ATOM 922 CD1 PHE A 56 287.799 127.619 396.028 1.00 0.00 C ATOM 923 CD2 PHE A 56 288.856 125.665 395.156 1.00 0.00 C ATOM 924 CE1 PHE A 56 287.961 127.149 397.307 1.00 0.00 C ATOM 925 CE2 PHE A 56 288.995 125.174 396.433 1.00 0.00 C ATOM 926 CZ PHE A 56 288.541 125.916 397.499 1.00 0.00 C ATOM 0 H PHE A 56 288.603 126.665 391.265 1.00 0.00 H new ATOM 0 HA PHE A 56 287.062 125.379 393.276 1.00 0.00 H new ATOM 0 HB2 PHE A 56 288.952 127.484 393.073 1.00 0.00 H new ATOM 0 HB3 PHE A 56 287.482 128.294 393.576 1.00 0.00 H new ATOM 0 HD1 PHE A 56 287.348 128.587 395.865 1.00 0.00 H new ATOM 0 HD2 PHE A 56 289.253 125.113 394.317 1.00 0.00 H new ATOM 0 HE1 PHE A 56 287.638 127.739 398.152 1.00 0.00 H new ATOM 0 HE2 PHE A 56 289.458 124.212 396.598 1.00 0.00 H new ATOM 0 HZ PHE A 56 288.641 125.525 398.501 1.00 0.00 H new ATOM 936 N VAL A 57 285.494 127.791 391.639 1.00 0.00 N ATOM 937 CA VAL A 57 284.216 128.338 391.211 1.00 0.00 C ATOM 938 C VAL A 57 283.327 127.386 390.416 1.00 0.00 C ATOM 939 O VAL A 57 282.109 127.370 390.573 1.00 0.00 O ATOM 940 CB VAL A 57 284.095 129.842 391.460 1.00 0.00 C ATOM 941 CG1 VAL A 57 283.579 130.673 390.275 1.00 0.00 C ATOM 942 CG2 VAL A 57 283.346 130.128 392.804 1.00 0.00 C ATOM 0 H VAL A 57 286.277 128.246 391.169 1.00 0.00 H new ATOM 0 HA VAL A 57 283.173 128.417 391.518 1.00 0.00 H new ATOM 0 HB VAL A 57 285.118 130.204 391.565 1.00 0.00 H new ATOM 0 HG11 VAL A 57 283.532 131.724 390.561 1.00 0.00 H new ATOM 0 HG12 VAL A 57 284.255 130.557 389.428 1.00 0.00 H new ATOM 0 HG13 VAL A 57 282.583 130.329 389.995 1.00 0.00 H new ATOM 0 HG21 VAL A 57 283.273 131.205 392.958 1.00 0.00 H new ATOM 0 HG22 VAL A 57 282.345 129.699 392.761 1.00 0.00 H new ATOM 0 HG23 VAL A 57 283.898 129.680 393.630 1.00 0.00 H new ATOM 952 N GLU A 58 283.983 126.456 389.643 1.00 0.00 N ATOM 953 CA GLU A 58 283.409 125.208 389.095 1.00 0.00 C ATOM 954 C GLU A 58 282.941 124.232 390.223 1.00 0.00 C ATOM 955 O GLU A 58 281.834 123.703 390.155 1.00 0.00 O ATOM 956 CB GLU A 58 284.402 124.514 388.121 1.00 0.00 C ATOM 957 CG GLU A 58 283.815 123.357 387.289 1.00 0.00 C ATOM 958 CD GLU A 58 284.855 122.805 386.308 1.00 0.00 C ATOM 959 OE1 GLU A 58 286.011 123.305 386.292 1.00 0.00 O ATOM 960 OE2 GLU A 58 284.493 121.861 385.555 1.00 0.00 O1- ATOM 0 H GLU A 58 284.962 126.575 389.384 1.00 0.00 H new ATOM 0 HA GLU A 58 282.521 125.485 388.527 1.00 0.00 H new ATOM 0 HB2 GLU A 58 284.799 125.265 387.438 1.00 0.00 H new ATOM 0 HB3 GLU A 58 285.244 124.132 388.699 1.00 0.00 H new ATOM 0 HG2 GLU A 58 283.478 122.561 387.953 1.00 0.00 H new ATOM 0 HG3 GLU A 58 282.941 123.706 386.740 1.00 0.00 H new ATOM 967 N ALA A 59 283.730 124.068 391.352 1.00 0.00 N ATOM 968 CA ALA A 59 283.305 123.405 392.622 1.00 0.00 C ATOM 969 C ALA A 59 282.112 124.022 393.298 1.00 0.00 C ATOM 970 O ALA A 59 281.375 123.348 393.985 1.00 0.00 O ATOM 971 CB ALA A 59 284.266 123.549 393.822 1.00 0.00 C ATOM 0 H ALA A 59 284.692 124.404 391.390 1.00 0.00 H new ATOM 0 HA ALA A 59 283.185 122.398 392.222 1.00 0.00 H new ATOM 0 HB1 ALA A 59 283.851 123.028 394.685 1.00 0.00 H new ATOM 0 HB2 ALA A 59 285.234 123.117 393.567 1.00 0.00 H new ATOM 0 HB3 ALA A 59 284.392 124.605 394.062 1.00 0.00 H new ATOM 977 N TYR A 60 281.934 125.366 393.207 1.00 0.00 N ATOM 978 CA TYR A 60 280.908 126.143 393.929 1.00 0.00 C ATOM 979 C TYR A 60 279.417 125.620 393.812 1.00 0.00 C ATOM 980 O TYR A 60 278.545 125.947 394.605 1.00 0.00 O ATOM 981 CB TYR A 60 280.956 127.657 393.498 1.00 0.00 C ATOM 982 CG TYR A 60 281.135 128.698 394.576 1.00 0.00 C ATOM 983 CD1 TYR A 60 280.550 129.957 394.471 1.00 0.00 C ATOM 984 CD2 TYR A 60 282.072 128.497 395.570 1.00 0.00 C ATOM 985 CE1 TYR A 60 280.887 130.961 395.365 1.00 0.00 C ATOM 986 CE2 TYR A 60 282.340 129.461 396.525 1.00 0.00 C ATOM 987 CZ TYR A 60 281.763 130.697 396.397 1.00 0.00 C ATOM 988 OH TYR A 60 282.148 131.649 397.348 1.00 0.00 O ATOM 0 H TYR A 60 282.520 125.950 392.611 1.00 0.00 H new ATOM 0 HA TYR A 60 281.178 126.012 394.977 1.00 0.00 H new ATOM 0 HB2 TYR A 60 281.770 127.774 392.783 1.00 0.00 H new ATOM 0 HB3 TYR A 60 280.031 127.882 392.968 1.00 0.00 H new ATOM 0 HD1 TYR A 60 279.831 130.152 393.690 1.00 0.00 H new ATOM 0 HD2 TYR A 60 282.610 127.561 395.603 1.00 0.00 H new ATOM 0 HE1 TYR A 60 280.464 131.949 395.254 1.00 0.00 H new ATOM 0 HE2 TYR A 60 282.993 129.243 397.357 1.00 0.00 H new ATOM 0 HH TYR A 60 281.835 132.535 397.069 1.00 0.00 H new ATOM 998 N GLY A 61 279.150 124.708 392.832 1.00 0.00 N ATOM 999 CA GLY A 61 277.954 123.867 392.672 1.00 0.00 C ATOM 1000 C GLY A 61 277.986 122.463 393.305 1.00 0.00 C ATOM 1001 O GLY A 61 277.070 121.683 393.073 1.00 0.00 O ATOM 0 H GLY A 61 279.823 124.539 392.085 1.00 0.00 H new ATOM 0 HA2 GLY A 61 277.104 124.406 393.091 1.00 0.00 H new ATOM 0 HA3 GLY A 61 277.764 123.751 391.605 1.00 0.00 H new ATOM 1005 N LYS A 62 279.039 122.093 394.092 1.00 0.00 N ATOM 1006 CA LYS A 62 279.318 120.818 394.775 1.00 0.00 C ATOM 1007 C LYS A 62 278.770 120.730 396.193 1.00 0.00 C ATOM 1008 O LYS A 62 278.090 119.768 396.527 1.00 0.00 O ATOM 1009 CB LYS A 62 280.869 120.602 394.796 1.00 0.00 C ATOM 1010 CG LYS A 62 281.539 119.432 395.551 1.00 0.00 C ATOM 1011 CD LYS A 62 282.048 119.724 396.995 1.00 0.00 C ATOM 1012 CE LYS A 62 282.852 121.005 397.231 1.00 0.00 C ATOM 1013 NZ LYS A 62 283.945 121.013 396.240 1.00 0.00 N1+ ATOM 0 H LYS A 62 279.787 122.762 394.275 1.00 0.00 H new ATOM 0 HA LYS A 62 278.804 120.037 394.214 1.00 0.00 H new ATOM 0 HB2 LYS A 62 281.186 120.523 393.756 1.00 0.00 H new ATOM 0 HB3 LYS A 62 281.305 121.519 395.193 1.00 0.00 H new ATOM 0 HG2 LYS A 62 280.826 118.609 395.603 1.00 0.00 H new ATOM 0 HG3 LYS A 62 282.384 119.085 394.957 1.00 0.00 H new ATOM 0 HD2 LYS A 62 281.181 119.748 397.656 1.00 0.00 H new ATOM 0 HD3 LYS A 62 282.664 118.881 397.308 1.00 0.00 H new ATOM 0 HE2 LYS A 62 282.219 121.885 397.115 1.00 0.00 H new ATOM 0 HE3 LYS A 62 283.250 121.030 398.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 284.510 121.879 396.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 284.552 120.182 396.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 283.544 120.984 395.281 1.00 0.00 H new ATOM 1027 N ALA A 63 279.058 121.718 397.085 1.00 0.00 N ATOM 1028 CA ALA A 63 278.630 121.728 398.495 1.00 0.00 C ATOM 1029 C ALA A 63 277.494 122.722 398.765 1.00 0.00 C ATOM 1030 O ALA A 63 277.308 123.228 399.871 1.00 0.00 O ATOM 1031 CB ALA A 63 279.847 122.030 399.410 1.00 0.00 C ATOM 0 H ALA A 63 279.605 122.541 396.830 1.00 0.00 H new ATOM 0 HA ALA A 63 278.235 120.738 398.722 1.00 0.00 H new ATOM 0 HB1 ALA A 63 279.526 122.037 400.452 1.00 0.00 H new ATOM 0 HB2 ALA A 63 280.607 121.262 399.269 1.00 0.00 H new ATOM 0 HB3 ALA A 63 280.263 123.004 399.152 1.00 0.00 H new ATOM 1037 N ILE A 64 276.728 123.055 397.699 1.00 0.00 N ATOM 1038 CA ILE A 64 275.611 123.999 397.651 1.00 0.00 C ATOM 1039 C ILE A 64 274.291 123.412 398.223 1.00 0.00 C ATOM 1040 O ILE A 64 273.933 122.279 397.884 1.00 0.00 O ATOM 1041 CB ILE A 64 275.464 124.537 396.213 1.00 0.00 C ATOM 1042 CG1 ILE A 64 274.587 125.813 396.070 1.00 0.00 C ATOM 1043 CG2 ILE A 64 274.993 123.432 395.237 1.00 0.00 C ATOM 1044 CD1 ILE A 64 275.281 127.119 396.493 1.00 0.00 C ATOM 0 H ILE A 64 276.896 122.633 396.786 1.00 0.00 H new ATOM 0 HA ILE A 64 275.836 124.837 398.311 1.00 0.00 H new ATOM 0 HB ILE A 64 276.471 124.852 395.940 1.00 0.00 H new ATOM 0 HG12 ILE A 64 274.270 125.905 395.031 1.00 0.00 H new ATOM 0 HG13 ILE A 64 273.685 125.686 396.668 1.00 0.00 H new ATOM 0 HG21 ILE A 64 274.901 123.848 394.234 1.00 0.00 H new ATOM 0 HG22 ILE A 64 275.721 122.620 395.228 1.00 0.00 H new ATOM 0 HG23 ILE A 64 274.026 123.048 395.561 1.00 0.00 H new ATOM 0 HD11 ILE A 64 274.595 127.955 396.359 1.00 0.00 H new ATOM 0 HD12 ILE A 64 275.573 127.053 397.541 1.00 0.00 H new ATOM 0 HD13 ILE A 64 276.168 127.275 395.879 1.00 0.00 H new ATOM 1056 N PRO A 65 273.540 124.099 399.129 1.00 0.00 N ATOM 1057 CA PRO A 65 272.263 123.620 399.665 1.00 0.00 C ATOM 1058 C PRO A 65 271.094 123.870 398.666 1.00 0.00 C ATOM 1059 O PRO A 65 271.176 124.837 397.905 1.00 0.00 O ATOM 1060 CB PRO A 65 272.121 124.448 400.961 1.00 0.00 C ATOM 1061 CG PRO A 65 272.795 125.792 400.652 1.00 0.00 C ATOM 1062 CD PRO A 65 273.936 125.384 399.717 1.00 0.00 C ATOM 0 HA PRO A 65 272.232 122.545 399.841 1.00 0.00 H new ATOM 0 HB2 PRO A 65 271.073 124.585 401.229 1.00 0.00 H new ATOM 0 HB3 PRO A 65 272.603 123.949 401.802 1.00 0.00 H new ATOM 0 HG2 PRO A 65 272.108 126.490 400.173 1.00 0.00 H new ATOM 0 HG3 PRO A 65 273.165 126.278 401.555 1.00 0.00 H new ATOM 0 HD2 PRO A 65 274.093 126.135 398.943 1.00 0.00 H new ATOM 0 HD3 PRO A 65 274.874 125.290 400.264 1.00 0.00 H new ATOM 1070 N PRO A 66 269.989 123.079 398.622 1.00 0.00 N ATOM 1071 CA PRO A 66 268.875 123.232 397.668 1.00 0.00 C ATOM 1072 C PRO A 66 267.910 124.362 398.084 1.00 0.00 C ATOM 1073 O PRO A 66 266.751 124.103 398.410 1.00 0.00 O ATOM 1074 CB PRO A 66 268.223 121.834 397.703 1.00 0.00 C ATOM 1075 CG PRO A 66 268.433 121.353 399.143 1.00 0.00 C ATOM 1076 CD PRO A 66 269.814 121.912 399.487 1.00 0.00 C ATOM 0 HA PRO A 66 269.187 123.528 396.666 1.00 0.00 H new ATOM 0 HB2 PRO A 66 267.164 121.883 397.451 1.00 0.00 H new ATOM 0 HB3 PRO A 66 268.691 121.159 396.986 1.00 0.00 H new ATOM 0 HG2 PRO A 66 267.663 121.735 399.814 1.00 0.00 H new ATOM 0 HG3 PRO A 66 268.407 120.266 399.214 1.00 0.00 H new ATOM 0 HD2 PRO A 66 269.874 122.191 400.539 1.00 0.00 H new ATOM 0 HD3 PRO A 66 270.593 121.171 399.309 1.00 0.00 H new ATOM 1084 N ALA A 67 268.414 125.618 398.072 1.00 0.00 N ATOM 1085 CA ALA A 67 267.743 126.828 398.486 1.00 0.00 C ATOM 1086 C ALA A 67 268.409 127.996 397.745 1.00 0.00 C ATOM 1087 O ALA A 67 269.489 127.791 397.188 1.00 0.00 O ATOM 1088 CB ALA A 67 267.926 126.980 400.021 1.00 0.00 C ATOM 0 H ALA A 67 269.363 125.803 397.748 1.00 0.00 H new ATOM 0 HA ALA A 67 266.678 126.806 398.257 1.00 0.00 H new ATOM 0 HB1 ALA A 67 267.427 127.888 400.359 1.00 0.00 H new ATOM 0 HB2 ALA A 67 267.491 126.118 400.526 1.00 0.00 H new ATOM 0 HB3 ALA A 67 268.989 127.041 400.257 1.00 0.00 H new ATOM 1094 N PRO A 68 267.810 129.212 397.662 1.00 0.00 N ATOM 1095 CA PRO A 68 268.419 130.407 397.062 1.00 0.00 C ATOM 1096 C PRO A 68 269.349 131.135 398.075 1.00 0.00 C ATOM 1097 O PRO A 68 269.485 130.630 399.191 1.00 0.00 O ATOM 1098 CB PRO A 68 267.158 131.232 396.708 1.00 0.00 C ATOM 1099 CG PRO A 68 266.179 130.948 397.848 1.00 0.00 C ATOM 1100 CD PRO A 68 266.462 129.480 398.174 1.00 0.00 C ATOM 0 HA PRO A 68 269.068 130.214 396.208 1.00 0.00 H new ATOM 0 HB2 PRO A 68 267.387 132.295 396.638 1.00 0.00 H new ATOM 0 HB3 PRO A 68 266.744 130.931 395.746 1.00 0.00 H new ATOM 0 HG2 PRO A 68 266.358 131.595 398.706 1.00 0.00 H new ATOM 0 HG3 PRO A 68 265.144 131.103 397.542 1.00 0.00 H new ATOM 0 HD2 PRO A 68 266.408 129.300 399.248 1.00 0.00 H new ATOM 0 HD3 PRO A 68 265.728 128.826 397.704 1.00 0.00 H new ATOM 1108 N PRO A 69 270.018 132.281 397.781 1.00 0.00 N ATOM 1109 CA PRO A 69 270.948 132.978 398.689 1.00 0.00 C ATOM 1110 C PRO A 69 270.342 133.485 400.013 1.00 0.00 C ATOM 1111 O PRO A 69 269.404 134.282 399.999 1.00 0.00 O ATOM 1112 CB PRO A 69 271.500 134.129 397.822 1.00 0.00 C ATOM 1113 CG PRO A 69 271.413 133.592 396.395 1.00 0.00 C ATOM 1114 CD PRO A 69 270.088 132.834 396.427 1.00 0.00 C ATOM 0 HA PRO A 69 271.710 132.289 399.054 1.00 0.00 H new ATOM 0 HB2 PRO A 69 270.910 135.038 397.943 1.00 0.00 H new ATOM 0 HB3 PRO A 69 272.526 134.376 398.093 1.00 0.00 H new ATOM 0 HG2 PRO A 69 271.408 134.393 395.656 1.00 0.00 H new ATOM 0 HG3 PRO A 69 272.252 132.940 396.152 1.00 0.00 H new ATOM 0 HD2 PRO A 69 269.246 133.496 396.224 1.00 0.00 H new ATOM 0 HD3 PRO A 69 270.062 132.046 395.674 1.00 0.00 H new ATOM 1122 N ALA A 70 270.886 132.991 401.154 1.00 0.00 N ATOM 1123 CA ALA A 70 270.436 133.251 402.506 1.00 0.00 C ATOM 1124 C ALA A 70 271.650 133.526 403.423 1.00 0.00 C ATOM 1125 O ALA A 70 272.758 133.078 403.105 1.00 0.00 O ATOM 1126 CB ALA A 70 269.640 132.009 402.984 1.00 0.00 C ATOM 0 H ALA A 70 271.694 132.369 401.132 1.00 0.00 H new ATOM 0 HA ALA A 70 269.796 134.133 402.541 1.00 0.00 H new ATOM 0 HB1 ALA A 70 269.286 132.173 404.002 1.00 0.00 H new ATOM 0 HB2 ALA A 70 268.787 131.848 402.325 1.00 0.00 H new ATOM 0 HB3 ALA A 70 270.287 131.132 402.962 1.00 0.00 H new ATOM 1132 N PRO A 71 271.491 134.258 404.564 1.00 0.00 N ATOM 1133 CA PRO A 71 272.561 134.615 405.509 1.00 0.00 C ATOM 1134 C PRO A 71 272.935 133.455 406.470 1.00 0.00 C ATOM 1135 O PRO A 71 272.201 132.466 406.515 1.00 0.00 O ATOM 1136 CB PRO A 71 271.940 135.822 406.252 1.00 0.00 C ATOM 1137 CG PRO A 71 270.441 135.528 406.295 1.00 0.00 C ATOM 1138 CD PRO A 71 270.202 134.836 404.955 1.00 0.00 C ATOM 0 HA PRO A 71 273.509 134.839 405.021 1.00 0.00 H new ATOM 0 HB2 PRO A 71 272.352 135.922 407.256 1.00 0.00 H new ATOM 0 HB3 PRO A 71 272.145 136.756 405.729 1.00 0.00 H new ATOM 0 HG2 PRO A 71 270.177 134.887 407.136 1.00 0.00 H new ATOM 0 HG3 PRO A 71 269.851 136.439 406.392 1.00 0.00 H new ATOM 0 HD2 PRO A 71 269.439 134.063 405.046 1.00 0.00 H new ATOM 0 HD3 PRO A 71 269.849 135.546 404.207 1.00 0.00 H new ATOM 1146 N PRO A 72 274.036 133.525 407.249 1.00 0.00 N ATOM 1147 CA PRO A 72 274.497 132.443 408.120 1.00 0.00 C ATOM 1148 C PRO A 72 273.790 132.355 409.485 1.00 0.00 C ATOM 1149 O PRO A 72 273.290 133.339 410.029 1.00 0.00 O ATOM 1150 CB PRO A 72 275.996 132.763 408.283 1.00 0.00 C ATOM 1151 CG PRO A 72 276.070 134.289 408.217 1.00 0.00 C ATOM 1152 CD PRO A 72 274.962 134.658 407.242 1.00 0.00 C ATOM 0 HA PRO A 72 274.280 131.468 407.685 1.00 0.00 H new ATOM 0 HB2 PRO A 72 276.381 132.387 409.231 1.00 0.00 H new ATOM 0 HB3 PRO A 72 276.589 132.302 407.493 1.00 0.00 H new ATOM 0 HG2 PRO A 72 275.910 134.741 409.196 1.00 0.00 H new ATOM 0 HG3 PRO A 72 277.044 134.628 407.865 1.00 0.00 H new ATOM 0 HD2 PRO A 72 274.460 135.576 407.548 1.00 0.00 H new ATOM 0 HD3 PRO A 72 275.361 134.831 406.243 1.00 0.00 H new ATOM 1160 N LEU A 73 273.801 131.128 410.055 1.00 0.00 N ATOM 1161 CA LEU A 73 273.294 130.731 411.356 1.00 0.00 C ATOM 1162 C LEU A 73 274.372 129.813 411.924 1.00 0.00 C ATOM 1163 O LEU A 73 275.091 129.175 411.155 1.00 0.00 O ATOM 1164 CB LEU A 73 271.913 130.018 411.232 1.00 0.00 C ATOM 1165 CG LEU A 73 271.213 129.610 412.561 1.00 0.00 C ATOM 1166 CD1 LEU A 73 270.971 130.797 413.514 1.00 0.00 C ATOM 1167 CD2 LEU A 73 269.882 128.871 412.312 1.00 0.00 C ATOM 0 H LEU A 73 274.204 130.333 409.559 1.00 0.00 H new ATOM 0 HA LEU A 73 273.110 131.583 412.010 1.00 0.00 H new ATOM 0 HB2 LEU A 73 271.240 130.675 410.681 1.00 0.00 H new ATOM 0 HB3 LEU A 73 272.047 129.120 410.629 1.00 0.00 H new ATOM 0 HG LEU A 73 271.913 128.931 413.048 1.00 0.00 H new ATOM 0 HD11 LEU A 73 270.480 130.442 414.420 1.00 0.00 H new ATOM 0 HD12 LEU A 73 271.925 131.255 413.774 1.00 0.00 H new ATOM 0 HD13 LEU A 73 270.336 131.534 413.023 1.00 0.00 H new ATOM 0 HD21 LEU A 73 269.429 128.606 413.267 1.00 0.00 H new ATOM 0 HD22 LEU A 73 269.204 129.519 411.757 1.00 0.00 H new ATOM 0 HD23 LEU A 73 270.071 127.965 411.736 1.00 0.00 H new ATOM 1179 N THR A 74 274.527 129.751 413.269 1.00 0.00 N ATOM 1180 CA THR A 74 275.512 128.921 413.959 1.00 0.00 C ATOM 1181 C THR A 74 274.846 128.367 415.211 1.00 0.00 C ATOM 1182 O THR A 74 273.639 128.493 415.408 1.00 0.00 O ATOM 1183 CB THR A 74 276.846 129.654 414.228 1.00 0.00 C ATOM 1184 OG1 THR A 74 277.873 128.808 414.757 1.00 0.00 O ATOM 1185 CG2 THR A 74 276.677 130.872 415.158 1.00 0.00 C ATOM 0 H THR A 74 273.949 130.296 413.909 1.00 0.00 H new ATOM 0 HA THR A 74 275.815 128.093 413.319 1.00 0.00 H new ATOM 0 HB THR A 74 277.161 129.994 413.242 1.00 0.00 H new ATOM 0 HG1 THR A 74 278.687 129.333 414.902 1.00 0.00 H new ATOM 0 HG21 THR A 74 277.645 131.349 415.313 1.00 0.00 H new ATOM 0 HG22 THR A 74 275.990 131.585 414.702 1.00 0.00 H new ATOM 0 HG23 THR A 74 276.276 130.544 416.117 1.00 0.00 H new ATOM 1193 N LEU A 75 275.644 127.733 416.095 1.00 0.00 N ATOM 1194 CA LEU A 75 275.236 127.110 417.345 1.00 0.00 C ATOM 1195 C LEU A 75 275.395 128.033 418.553 1.00 0.00 C ATOM 1196 O LEU A 75 276.132 129.012 418.527 1.00 0.00 O ATOM 1197 CB LEU A 75 276.069 125.817 417.592 1.00 0.00 C ATOM 1198 CG LEU A 75 275.870 124.698 416.538 1.00 0.00 C ATOM 1199 CD1 LEU A 75 276.732 123.465 416.869 1.00 0.00 C ATOM 1200 CD2 LEU A 75 274.397 124.276 416.381 1.00 0.00 C ATOM 0 H LEU A 75 276.647 127.644 415.934 1.00 0.00 H new ATOM 0 HA LEU A 75 274.176 126.877 417.242 1.00 0.00 H new ATOM 0 HB2 LEU A 75 277.125 126.084 417.622 1.00 0.00 H new ATOM 0 HB3 LEU A 75 275.813 125.420 418.574 1.00 0.00 H new ATOM 0 HG LEU A 75 276.192 125.121 415.586 1.00 0.00 H new ATOM 0 HD11 LEU A 75 276.572 122.696 416.113 1.00 0.00 H new ATOM 0 HD12 LEU A 75 277.784 123.749 416.881 1.00 0.00 H new ATOM 0 HD13 LEU A 75 276.450 123.076 417.847 1.00 0.00 H new ATOM 0 HD21 LEU A 75 274.322 123.490 415.630 1.00 0.00 H new ATOM 0 HD22 LEU A 75 274.022 123.904 417.334 1.00 0.00 H new ATOM 0 HD23 LEU A 75 273.804 125.135 416.068 1.00 0.00 H new ATOM 1212 N SER A 76 274.701 127.684 419.665 1.00 0.00 N ATOM 1213 CA SER A 76 274.722 128.359 420.963 1.00 0.00 C ATOM 1214 C SER A 76 275.156 127.348 422.010 1.00 0.00 C ATOM 1215 O SER A 76 274.758 127.403 423.169 1.00 0.00 O ATOM 1216 CB SER A 76 273.330 128.936 421.319 1.00 0.00 C ATOM 1217 OG SER A 76 273.035 130.036 420.464 1.00 0.00 O ATOM 0 H SER A 76 274.079 126.875 419.667 1.00 0.00 H new ATOM 0 HA SER A 76 275.419 129.196 420.927 1.00 0.00 H new ATOM 0 HB2 SER A 76 272.567 128.165 421.212 1.00 0.00 H new ATOM 0 HB3 SER A 76 273.314 129.258 422.360 1.00 0.00 H new ATOM 0 HG SER A 76 272.153 130.399 420.690 1.00 0.00 H new ATOM 1223 N LYS A 77 276.013 126.373 421.615 1.00 0.00 N ATOM 1224 CA LYS A 77 276.549 125.301 422.455 1.00 0.00 C ATOM 1225 C LYS A 77 277.968 125.667 422.882 1.00 0.00 C ATOM 1226 O LYS A 77 278.917 125.280 422.212 1.00 0.00 O ATOM 1227 CB LYS A 77 276.559 123.944 421.685 1.00 0.00 C ATOM 1228 CG LYS A 77 275.179 123.470 421.185 1.00 0.00 C ATOM 1229 CD LYS A 77 274.193 123.121 422.314 1.00 0.00 C ATOM 1230 CE LYS A 77 272.810 122.685 421.805 1.00 0.00 C ATOM 1231 NZ LYS A 77 272.893 121.438 421.006 1.00 0.00 N1+ ATOM 0 H LYS A 77 276.358 126.321 420.656 1.00 0.00 H new ATOM 0 HA LYS A 77 275.914 125.187 423.333 1.00 0.00 H new ATOM 0 HB2 LYS A 77 277.228 124.034 420.829 1.00 0.00 H new ATOM 0 HB3 LYS A 77 276.976 123.176 422.337 1.00 0.00 H new ATOM 0 HG2 LYS A 77 274.742 124.250 420.562 1.00 0.00 H new ATOM 0 HG3 LYS A 77 275.315 122.594 420.551 1.00 0.00 H new ATOM 0 HD2 LYS A 77 274.617 122.321 422.922 1.00 0.00 H new ATOM 0 HD3 LYS A 77 274.076 123.988 422.964 1.00 0.00 H new ATOM 0 HE2 LYS A 77 272.141 122.532 422.652 1.00 0.00 H new ATOM 0 HE3 LYS A 77 272.378 123.480 421.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 271.934 121.116 420.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 273.428 121.620 420.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 273.375 120.702 421.560 1.00 0.00 H new ATOM 1245 N LEU A 78 278.097 126.473 423.979 1.00 0.00 N ATOM 1246 CA LEU A 78 279.302 127.087 424.570 1.00 0.00 C ATOM 1247 C LEU A 78 279.440 128.544 424.121 1.00 0.00 C ATOM 1248 O LEU A 78 280.054 129.367 424.794 1.00 0.00 O ATOM 1249 CB LEU A 78 280.672 126.345 424.409 1.00 0.00 C ATOM 1250 CG LEU A 78 280.766 124.971 425.112 1.00 0.00 C ATOM 1251 CD1 LEU A 78 281.958 124.171 424.561 1.00 0.00 C ATOM 1252 CD2 LEU A 78 280.878 125.100 426.641 1.00 0.00 C ATOM 0 H LEU A 78 277.269 126.727 424.517 1.00 0.00 H new ATOM 0 HA LEU A 78 279.103 127.004 425.638 1.00 0.00 H new ATOM 0 HB2 LEU A 78 280.868 126.205 423.346 1.00 0.00 H new ATOM 0 HB3 LEU A 78 281.462 126.988 424.797 1.00 0.00 H new ATOM 0 HG LEU A 78 279.839 124.439 424.899 1.00 0.00 H new ATOM 0 HD11 LEU A 78 282.012 123.206 425.065 1.00 0.00 H new ATOM 0 HD12 LEU A 78 281.827 124.015 423.490 1.00 0.00 H new ATOM 0 HD13 LEU A 78 282.880 124.725 424.737 1.00 0.00 H new ATOM 0 HD21 LEU A 78 280.941 124.107 427.086 1.00 0.00 H new ATOM 0 HD22 LEU A 78 281.773 125.669 426.894 1.00 0.00 H new ATOM 0 HD23 LEU A 78 279.999 125.616 427.028 1.00 0.00 H new ATOM 1264 N GLU A 79 278.839 128.893 422.949 1.00 0.00 N ATOM 1265 CA GLU A 79 278.867 130.193 422.282 1.00 0.00 C ATOM 1266 C GLU A 79 277.764 131.164 422.724 1.00 0.00 C ATOM 1267 O GLU A 79 277.561 132.200 422.096 1.00 0.00 O ATOM 1268 CB GLU A 79 278.783 130.050 420.725 1.00 0.00 C ATOM 1269 CG GLU A 79 279.944 129.289 420.044 1.00 0.00 C ATOM 1270 CD GLU A 79 279.827 127.774 420.202 1.00 0.00 C ATOM 1271 OE1 GLU A 79 280.779 127.160 420.754 1.00 0.00 O ATOM 1272 OE2 GLU A 79 278.791 127.210 419.757 1.00 0.00 O1- ATOM 0 H GLU A 79 278.288 128.215 422.422 1.00 0.00 H new ATOM 0 HA GLU A 79 279.826 130.615 422.585 1.00 0.00 H new ATOM 0 HB2 GLU A 79 277.850 129.543 420.478 1.00 0.00 H new ATOM 0 HB3 GLU A 79 278.728 131.049 420.292 1.00 0.00 H new ATOM 0 HG2 GLU A 79 279.965 129.539 418.983 1.00 0.00 H new ATOM 0 HG3 GLU A 79 280.891 129.623 420.469 1.00 0.00 H new ATOM 1279 N HIS A 80 277.010 130.870 423.819 1.00 0.00 N ATOM 1280 CA HIS A 80 275.942 131.732 424.323 1.00 0.00 C ATOM 1281 C HIS A 80 276.427 132.585 425.491 1.00 0.00 C ATOM 1282 O HIS A 80 275.727 132.777 426.484 1.00 0.00 O ATOM 1283 CB HIS A 80 274.639 130.961 424.689 1.00 0.00 C ATOM 1284 CG HIS A 80 274.723 129.918 425.777 1.00 0.00 C ATOM 1285 ND1 HIS A 80 274.849 128.570 425.531 1.00 0.00 N ATOM 1286 CD2 HIS A 80 274.568 130.032 427.125 1.00 0.00 C ATOM 1287 CE1 HIS A 80 274.766 127.936 426.721 1.00 0.00 C ATOM 1288 NE2 HIS A 80 274.597 128.780 427.718 1.00 0.00 N ATOM 0 H HIS A 80 277.139 130.020 424.369 1.00 0.00 H new ATOM 0 HA HIS A 80 275.676 132.393 423.498 1.00 0.00 H new ATOM 0 HB2 HIS A 80 273.888 131.693 424.984 1.00 0.00 H new ATOM 0 HB3 HIS A 80 274.272 130.474 423.785 1.00 0.00 H new ATOM 0 HD1 HIS A 80 274.981 128.131 424.620 1.00 0.00 H new ATOM 0 HD2 HIS A 80 274.441 130.964 427.656 1.00 0.00 H new ATOM 0 HE1 HIS A 80 274.831 126.865 426.841 1.00 0.00 H new TER 1296 HIS A 80