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 45 SER OG : rot 162:sc= 0.255 USER MOD Set 1.2: A 55 LYS NZ :NH3+ -128:sc= 0.334 (180deg=-0.082) USER MOD Set 2.1: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 51 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0643) USER MOD Set 3.1: A 34 TYR OH : rot 52:sc= 2.08 USER MOD Set 3.2: A 49 ASN :FLIP amide:sc= 0.238 F(o=1.1,f=2.3) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 149:sc= 0.645 (180deg=0.198) USER MOD Single : A 4 TYR OH : rot 30:sc= -0.149 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 169:sc=-0.00107 (180deg=-0.161) USER MOD Single : A 18 SER OG : rot 180:sc= 0.00982 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.72 F(o=-3.3!,f=-0.72) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS :FLIP no HD1:sc= -0.835 F(o=-2.3,f=-0.84) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 152:sc= 0 USER MOD Single : A 33 SER OG : rot 78:sc= 1.06 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 47 HIS : no HE2:sc= 0.278 K(o=0.28,f=-0.95) USER MOD Single : A 54 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0199) USER MOD Single : A 60 TYR OH : rot -155:sc= 1.27 USER MOD Single : A 62 LYS NZ :NH3+ 147:sc=-0.00619 (180deg=-0.619) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 281.006 121.191 405.985 1.00 0.00 N ATOM 2 CA MET A 0 281.589 122.058 405.003 1.00 0.00 C ATOM 3 C MET A 0 283.088 121.884 405.091 1.00 0.00 C ATOM 4 O MET A 0 283.798 122.769 405.562 1.00 0.00 O ATOM 5 CB MET A 0 281.175 123.553 405.163 1.00 0.00 C ATOM 6 CG MET A 0 279.673 123.829 404.899 1.00 0.00 C ATOM 7 SD MET A 0 278.551 123.405 406.270 1.00 0.00 S ATOM 8 CE MET A 0 277.028 123.668 405.317 1.00 0.00 C ATOM 0 H1 MET A 0 280.121 121.610 406.336 1.00 0.00 H new ATOM 0 H2 MET A 0 280.805 120.266 405.555 1.00 0.00 H new ATOM 0 H3 MET A 0 281.669 121.068 406.777 1.00 0.00 H new ATOM 0 HA MET A 0 281.216 121.780 404.017 1.00 0.00 H new ATOM 0 HB2 MET A 0 281.421 123.880 406.173 1.00 0.00 H new ATOM 0 HB3 MET A 0 281.770 124.158 404.479 1.00 0.00 H new ATOM 0 HG2 MET A 0 279.551 124.886 404.665 1.00 0.00 H new ATOM 0 HG3 MET A 0 279.368 123.269 404.015 1.00 0.00 H new ATOM 0 HE1 MET A 0 276.164 123.467 405.950 1.00 0.00 H new ATOM 0 HE2 MET A 0 276.991 124.700 404.968 1.00 0.00 H new ATOM 0 HE3 MET A 0 277.014 122.995 404.460 1.00 0.00 H new ATOM 18 N GLY A 1 283.627 120.721 404.618 1.00 0.00 N ATOM 19 CA GLY A 1 285.058 120.350 404.634 1.00 0.00 C ATOM 20 C GLY A 1 285.965 121.139 403.710 1.00 0.00 C ATOM 21 O GLY A 1 287.171 121.249 403.913 1.00 0.00 O ATOM 0 H GLY A 1 283.045 119.994 404.201 1.00 0.00 H new ATOM 0 HA2 GLY A 1 285.429 120.459 405.653 1.00 0.00 H new ATOM 0 HA3 GLY A 1 285.141 119.294 404.376 1.00 0.00 H new ATOM 25 N ILE A 2 285.371 121.763 402.667 1.00 0.00 N ATOM 26 CA ILE A 2 286.034 122.694 401.774 1.00 0.00 C ATOM 27 C ILE A 2 285.262 123.981 401.887 1.00 0.00 C ATOM 28 O ILE A 2 284.030 123.987 401.841 1.00 0.00 O ATOM 29 CB ILE A 2 286.066 122.335 400.300 1.00 0.00 C ATOM 30 CG1 ILE A 2 286.429 120.845 400.120 1.00 0.00 C ATOM 31 CG2 ILE A 2 287.017 123.367 399.631 1.00 0.00 C ATOM 32 CD1 ILE A 2 286.795 120.459 398.686 1.00 0.00 C ATOM 0 H ILE A 2 284.389 121.617 402.431 1.00 0.00 H new ATOM 0 HA ILE A 2 287.079 122.720 402.083 1.00 0.00 H new ATOM 0 HB ILE A 2 285.099 122.411 399.803 1.00 0.00 H new ATOM 0 HG12 ILE A 2 287.267 120.605 400.774 1.00 0.00 H new ATOM 0 HG13 ILE A 2 285.586 120.235 400.445 1.00 0.00 H new ATOM 0 HG21 ILE A 2 287.083 123.162 398.563 1.00 0.00 H new ATOM 0 HG22 ILE A 2 286.627 124.373 399.784 1.00 0.00 H new ATOM 0 HG23 ILE A 2 288.009 123.291 400.077 1.00 0.00 H new ATOM 0 HD11 ILE A 2 287.037 119.397 398.645 1.00 0.00 H new ATOM 0 HD12 ILE A 2 285.951 120.665 398.027 1.00 0.00 H new ATOM 0 HD13 ILE A 2 287.658 121.040 398.362 1.00 0.00 H new ATOM 44 N ASP A 3 285.972 125.129 401.989 1.00 0.00 N ATOM 45 CA ASP A 3 285.337 126.408 402.183 1.00 0.00 C ATOM 46 C ASP A 3 284.793 127.099 400.986 1.00 0.00 C ATOM 47 O ASP A 3 285.245 128.166 400.631 1.00 0.00 O ATOM 48 CB ASP A 3 286.397 127.365 402.798 1.00 0.00 C ATOM 49 CG ASP A 3 285.892 128.632 403.482 1.00 0.00 C ATOM 50 OD1 ASP A 3 286.761 129.493 403.741 1.00 0.00 O ATOM 51 OD2 ASP A 3 284.674 128.774 403.750 1.00 0.00 O1- ATOM 0 H ASP A 3 286.990 125.171 401.937 1.00 0.00 H new ATOM 0 HA ASP A 3 284.471 126.187 402.807 1.00 0.00 H new ATOM 0 HB2 ASP A 3 286.978 126.799 403.526 1.00 0.00 H new ATOM 0 HB3 ASP A 3 287.082 127.662 402.004 1.00 0.00 H new ATOM 56 N TYR A 4 283.739 126.549 400.377 1.00 0.00 N ATOM 57 CA TYR A 4 282.779 127.236 399.551 1.00 0.00 C ATOM 58 C TYR A 4 281.735 128.079 400.278 1.00 0.00 C ATOM 59 O TYR A 4 281.519 129.248 399.975 1.00 0.00 O ATOM 60 CB TYR A 4 282.229 126.383 398.419 1.00 0.00 C ATOM 61 CG TYR A 4 283.260 125.462 397.928 1.00 0.00 C ATOM 62 CD1 TYR A 4 284.268 125.978 397.161 1.00 0.00 C ATOM 63 CD2 TYR A 4 283.199 124.111 398.190 1.00 0.00 C ATOM 64 CE1 TYR A 4 285.214 125.139 396.655 1.00 0.00 C ATOM 65 CE2 TYR A 4 284.163 123.283 397.669 1.00 0.00 C ATOM 66 CZ TYR A 4 285.207 123.798 396.945 1.00 0.00 C ATOM 67 OH TYR A 4 286.162 122.937 396.371 1.00 0.00 O ATOM 0 H TYR A 4 283.533 125.554 400.461 1.00 0.00 H new ATOM 0 HA TYR A 4 283.381 128.006 399.067 1.00 0.00 H new ATOM 0 HB2 TYR A 4 281.364 125.819 398.767 1.00 0.00 H new ATOM 0 HB3 TYR A 4 281.886 127.023 397.606 1.00 0.00 H new ATOM 0 HD1 TYR A 4 284.313 127.038 396.959 1.00 0.00 H new ATOM 0 HD2 TYR A 4 282.403 123.708 398.798 1.00 0.00 H new ATOM 0 HE1 TYR A 4 285.985 125.537 396.012 1.00 0.00 H new ATOM 0 HE2 TYR A 4 284.098 122.217 397.831 1.00 0.00 H new ATOM 0 HH TYR A 4 286.991 123.432 396.205 1.00 0.00 H new ATOM 77 N SER A 5 280.947 127.404 401.186 1.00 0.00 N ATOM 78 CA SER A 5 279.661 127.896 401.714 1.00 0.00 C ATOM 79 C SER A 5 279.582 129.234 402.450 1.00 0.00 C ATOM 80 O SER A 5 278.812 130.064 401.985 1.00 0.00 O ATOM 81 CB SER A 5 278.822 126.776 402.408 1.00 0.00 C ATOM 82 OG SER A 5 277.433 126.896 402.123 1.00 0.00 O ATOM 0 H SER A 5 281.209 126.493 401.564 1.00 0.00 H new ATOM 0 HA SER A 5 279.192 128.187 400.774 1.00 0.00 H new ATOM 0 HB2 SER A 5 279.177 125.800 402.077 1.00 0.00 H new ATOM 0 HB3 SER A 5 278.976 126.823 403.486 1.00 0.00 H new ATOM 0 HG SER A 5 276.943 126.177 402.574 1.00 0.00 H new ATOM 88 N GLY A 6 280.461 129.603 403.466 1.00 0.00 N ATOM 89 CA GLY A 6 280.637 130.954 404.014 1.00 0.00 C ATOM 90 C GLY A 6 281.003 132.005 402.990 1.00 0.00 C ATOM 91 O GLY A 6 280.663 133.170 403.078 1.00 0.00 O ATOM 0 H GLY A 6 281.071 128.921 403.918 1.00 0.00 H new ATOM 0 HA2 GLY A 6 279.714 131.254 404.510 1.00 0.00 H new ATOM 0 HA3 GLY A 6 281.414 130.924 404.778 1.00 0.00 H new ATOM 95 N LEU A 7 281.664 131.607 401.879 1.00 0.00 N ATOM 96 CA LEU A 7 282.071 132.475 400.792 1.00 0.00 C ATOM 97 C LEU A 7 280.898 132.845 399.918 1.00 0.00 C ATOM 98 O LEU A 7 280.622 134.026 399.698 1.00 0.00 O ATOM 99 CB LEU A 7 283.280 131.954 399.980 1.00 0.00 C ATOM 100 CG LEU A 7 284.614 131.805 400.768 1.00 0.00 C ATOM 101 CD1 LEU A 7 284.458 130.995 402.023 1.00 0.00 C ATOM 102 CD2 LEU A 7 285.642 130.921 400.069 1.00 0.00 C ATOM 0 H LEU A 7 281.930 130.634 401.726 1.00 0.00 H new ATOM 0 HA LEU A 7 282.437 133.389 401.261 1.00 0.00 H new ATOM 0 HB2 LEU A 7 283.019 130.983 399.559 1.00 0.00 H new ATOM 0 HB3 LEU A 7 283.449 132.630 399.142 1.00 0.00 H new ATOM 0 HG LEU A 7 284.906 132.847 400.899 1.00 0.00 H new ATOM 0 HD11 LEU A 7 285.419 130.924 402.532 1.00 0.00 H new ATOM 0 HD12 LEU A 7 283.734 131.478 402.680 1.00 0.00 H new ATOM 0 HD13 LEU A 7 284.107 129.995 401.769 1.00 0.00 H new ATOM 0 HD21 LEU A 7 286.545 130.863 400.676 1.00 0.00 H new ATOM 0 HD22 LEU A 7 285.231 129.921 399.935 1.00 0.00 H new ATOM 0 HD23 LEU A 7 285.886 131.346 399.095 1.00 0.00 H new ATOM 114 N ARG A 8 280.119 131.830 399.449 1.00 0.00 N ATOM 115 CA ARG A 8 278.879 132.079 398.704 1.00 0.00 C ATOM 116 C ARG A 8 277.721 132.654 399.485 1.00 0.00 C ATOM 117 O ARG A 8 276.917 133.427 398.962 1.00 0.00 O ATOM 118 CB ARG A 8 278.438 130.878 397.798 1.00 0.00 C ATOM 119 CG ARG A 8 279.128 129.526 398.096 1.00 0.00 C ATOM 120 CD ARG A 8 278.742 128.411 397.105 1.00 0.00 C ATOM 121 NE ARG A 8 279.494 127.093 397.332 1.00 0.00 N ATOM 122 CZ ARG A 8 278.890 126.088 398.041 1.00 0.00 C ATOM 123 NH1 ARG A 8 277.869 126.336 398.906 1.00 0.00 N1+ ATOM 124 NH2 ARG A 8 279.332 124.815 397.838 1.00 0.00 N ATOM 0 H ARG A 8 280.337 130.842 399.579 1.00 0.00 H new ATOM 0 HA ARG A 8 279.178 132.896 398.047 1.00 0.00 H new ATOM 0 HB2 ARG A 8 277.361 130.746 397.900 1.00 0.00 H new ATOM 0 HB3 ARG A 8 278.630 131.142 396.758 1.00 0.00 H new ATOM 0 HG2 ARG A 8 280.209 129.665 398.072 1.00 0.00 H new ATOM 0 HG3 ARG A 8 278.870 129.209 399.106 1.00 0.00 H new ATOM 0 HD2 ARG A 8 277.671 128.225 397.181 1.00 0.00 H new ATOM 0 HD3 ARG A 8 278.934 128.758 396.090 1.00 0.00 H new ATOM 0 HE ARG A 8 280.435 126.966 396.959 1.00 0.00 H new ATOM 0 HH11 ARG A 8 277.534 127.290 399.040 1.00 0.00 H new ATOM 0 HH12 ARG A 8 277.438 125.568 399.420 1.00 0.00 H new ATOM 0 HH21 ARG A 8 280.088 124.637 397.177 1.00 0.00 H new ATOM 0 HH22 ARG A 8 278.907 124.040 398.347 1.00 0.00 H new ATOM 138 N THR A 9 277.635 132.270 400.776 1.00 0.00 N ATOM 139 CA THR A 9 276.594 132.742 401.695 1.00 0.00 C ATOM 140 C THR A 9 276.850 134.083 402.364 1.00 0.00 C ATOM 141 O THR A 9 275.898 134.808 402.646 1.00 0.00 O ATOM 142 CB THR A 9 276.022 131.631 402.559 1.00 0.00 C ATOM 143 OG1 THR A 9 274.668 131.877 402.927 1.00 0.00 O ATOM 144 CG2 THR A 9 276.812 131.359 403.846 1.00 0.00 C ATOM 0 H THR A 9 278.293 131.620 401.206 1.00 0.00 H new ATOM 0 HA THR A 9 275.757 133.027 401.058 1.00 0.00 H new ATOM 0 HB THR A 9 276.094 130.751 401.919 1.00 0.00 H new ATOM 0 HG1 THR A 9 274.340 131.138 403.480 1.00 0.00 H new ATOM 0 HG21 THR A 9 276.335 130.552 404.402 1.00 0.00 H new ATOM 0 HG22 THR A 9 277.832 131.071 403.593 1.00 0.00 H new ATOM 0 HG23 THR A 9 276.831 132.260 404.459 1.00 0.00 H new ATOM 152 N ILE A 10 278.133 134.450 402.646 1.00 0.00 N ATOM 153 CA ILE A 10 278.538 135.741 403.206 1.00 0.00 C ATOM 154 C ILE A 10 279.030 136.718 402.102 1.00 0.00 C ATOM 155 O ILE A 10 278.845 137.923 402.272 1.00 0.00 O ATOM 156 CB ILE A 10 279.584 135.596 404.353 1.00 0.00 C ATOM 157 CG1 ILE A 10 279.144 134.597 405.461 1.00 0.00 C ATOM 158 CG2 ILE A 10 279.876 136.918 405.100 1.00 0.00 C ATOM 159 CD1 ILE A 10 280.244 133.797 406.169 1.00 0.00 C ATOM 0 H ILE A 10 278.924 133.828 402.480 1.00 0.00 H new ATOM 0 HA ILE A 10 277.645 136.176 403.655 1.00 0.00 H new ATOM 0 HB ILE A 10 280.468 135.243 403.822 1.00 0.00 H new ATOM 0 HG12 ILE A 10 278.594 135.155 406.218 1.00 0.00 H new ATOM 0 HG13 ILE A 10 278.445 133.888 405.017 1.00 0.00 H new ATOM 0 HG21 ILE A 10 280.612 136.738 405.883 1.00 0.00 H new ATOM 0 HG22 ILE A 10 280.266 137.654 404.397 1.00 0.00 H new ATOM 0 HG23 ILE A 10 278.956 137.294 405.547 1.00 0.00 H new ATOM 0 HD11 ILE A 10 279.794 133.142 406.915 1.00 0.00 H new ATOM 0 HD12 ILE A 10 280.785 133.196 405.438 1.00 0.00 H new ATOM 0 HD13 ILE A 10 280.936 134.483 406.658 1.00 0.00 H new ATOM 171 N PHE A 11 279.697 136.312 400.957 1.00 0.00 N ATOM 172 CA PHE A 11 280.294 137.323 400.039 1.00 0.00 C ATOM 173 C PHE A 11 279.683 137.332 398.636 1.00 0.00 C ATOM 174 O PHE A 11 279.563 138.385 398.007 1.00 0.00 O ATOM 175 CB PHE A 11 281.864 137.320 399.997 1.00 0.00 C ATOM 176 CG PHE A 11 282.459 136.948 401.338 1.00 0.00 C ATOM 177 CD1 PHE A 11 283.158 135.769 401.418 1.00 0.00 C ATOM 178 CD2 PHE A 11 282.271 137.669 402.508 1.00 0.00 C ATOM 179 CE1 PHE A 11 283.643 135.277 402.607 1.00 0.00 C ATOM 180 CE2 PHE A 11 282.721 137.165 403.718 1.00 0.00 C ATOM 181 CZ PHE A 11 283.420 135.976 403.767 1.00 0.00 C ATOM 0 H PHE A 11 279.823 135.341 400.672 1.00 0.00 H new ATOM 0 HA PHE A 11 280.013 138.270 400.499 1.00 0.00 H new ATOM 0 HB2 PHE A 11 282.206 136.616 399.239 1.00 0.00 H new ATOM 0 HB3 PHE A 11 282.222 138.306 399.701 1.00 0.00 H new ATOM 0 HD1 PHE A 11 283.334 135.207 400.513 1.00 0.00 H new ATOM 0 HD2 PHE A 11 281.772 138.626 402.476 1.00 0.00 H new ATOM 0 HE1 PHE A 11 284.195 134.349 402.628 1.00 0.00 H new ATOM 0 HE2 PHE A 11 282.523 137.707 404.631 1.00 0.00 H new ATOM 0 HZ PHE A 11 283.788 135.599 404.710 1.00 0.00 H new ATOM 191 N GLY A 12 279.209 136.157 398.147 1.00 0.00 N ATOM 192 CA GLY A 12 278.349 136.067 396.961 1.00 0.00 C ATOM 193 C GLY A 12 278.883 135.317 395.764 1.00 0.00 C ATOM 194 O GLY A 12 279.271 134.156 395.854 1.00 0.00 O ATOM 0 H GLY A 12 279.418 135.253 398.570 1.00 0.00 H new ATOM 0 HA2 GLY A 12 277.412 135.598 397.261 1.00 0.00 H new ATOM 0 HA3 GLY A 12 278.110 137.081 396.642 1.00 0.00 H new ATOM 198 N GLU A 13 278.850 135.967 394.566 1.00 0.00 N ATOM 199 CA GLU A 13 279.093 135.430 393.221 1.00 0.00 C ATOM 200 C GLU A 13 280.448 134.804 392.889 1.00 0.00 C ATOM 201 O GLU A 13 280.508 133.666 392.432 1.00 0.00 O ATOM 202 CB GLU A 13 278.720 136.518 392.174 1.00 0.00 C ATOM 203 CG GLU A 13 278.619 136.061 390.700 1.00 0.00 C ATOM 204 CD GLU A 13 277.564 134.966 390.542 1.00 0.00 C ATOM 205 OE1 GLU A 13 277.937 133.837 390.124 1.00 0.00 O ATOM 206 OE2 GLU A 13 276.370 135.245 390.835 1.00 0.00 O1- ATOM 0 H GLU A 13 278.633 136.963 394.528 1.00 0.00 H new ATOM 0 HA GLU A 13 278.449 134.551 393.187 1.00 0.00 H new ATOM 0 HB2 GLU A 13 277.762 136.952 392.462 1.00 0.00 H new ATOM 0 HB3 GLU A 13 279.462 137.315 392.233 1.00 0.00 H new ATOM 0 HG2 GLU A 13 278.364 136.911 390.068 1.00 0.00 H new ATOM 0 HG3 GLU A 13 279.587 135.691 390.362 1.00 0.00 H new ATOM 213 N LYS A 14 281.576 135.525 393.100 1.00 0.00 N ATOM 214 CA LYS A 14 282.926 135.004 392.899 1.00 0.00 C ATOM 215 C LYS A 14 283.511 134.792 394.285 1.00 0.00 C ATOM 216 O LYS A 14 282.901 135.161 395.287 1.00 0.00 O ATOM 217 CB LYS A 14 283.809 135.986 392.073 1.00 0.00 C ATOM 218 CG LYS A 14 285.008 135.352 391.338 1.00 0.00 C ATOM 219 CD LYS A 14 286.314 136.160 391.490 1.00 0.00 C ATOM 220 CE LYS A 14 286.429 137.415 390.606 1.00 0.00 C ATOM 221 NZ LYS A 14 285.550 138.522 391.056 1.00 0.00 N1+ ATOM 0 H LYS A 14 281.560 136.494 393.418 1.00 0.00 H new ATOM 0 HA LYS A 14 282.895 134.075 392.330 1.00 0.00 H new ATOM 0 HB2 LYS A 14 283.177 136.482 391.337 1.00 0.00 H new ATOM 0 HB3 LYS A 14 284.185 136.759 392.743 1.00 0.00 H new ATOM 0 HG2 LYS A 14 285.167 134.343 391.719 1.00 0.00 H new ATOM 0 HG3 LYS A 14 284.768 135.259 390.279 1.00 0.00 H new ATOM 0 HD2 LYS A 14 286.414 136.462 392.533 1.00 0.00 H new ATOM 0 HD3 LYS A 14 287.154 135.503 391.267 1.00 0.00 H new ATOM 0 HE2 LYS A 14 287.464 137.758 390.604 1.00 0.00 H new ATOM 0 HE3 LYS A 14 286.178 137.153 389.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 285.801 139.393 390.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 284.558 138.280 390.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 285.674 138.670 392.078 1.00 0.00 H new ATOM 235 N LEU A 15 284.729 134.219 394.406 1.00 0.00 N ATOM 236 CA LEU A 15 285.374 133.992 395.686 1.00 0.00 C ATOM 237 C LEU A 15 286.151 135.218 396.172 1.00 0.00 C ATOM 238 O LEU A 15 286.776 135.883 395.340 1.00 0.00 O ATOM 239 CB LEU A 15 286.381 132.837 395.519 1.00 0.00 C ATOM 240 CG LEU A 15 285.697 131.474 395.502 1.00 0.00 C ATOM 241 CD1 LEU A 15 286.552 130.486 394.746 1.00 0.00 C ATOM 242 CD2 LEU A 15 285.466 130.926 396.904 1.00 0.00 C ATOM 0 H LEU A 15 285.281 133.906 393.607 1.00 0.00 H new ATOM 0 HA LEU A 15 284.597 133.766 396.416 1.00 0.00 H new ATOM 0 HB2 LEU A 15 286.938 132.974 394.592 1.00 0.00 H new ATOM 0 HB3 LEU A 15 287.105 132.868 396.333 1.00 0.00 H new ATOM 0 HG LEU A 15 284.729 131.609 395.019 1.00 0.00 H new ATOM 0 HD11 LEU A 15 286.061 129.513 394.736 1.00 0.00 H new ATOM 0 HD12 LEU A 15 286.691 130.834 393.722 1.00 0.00 H new ATOM 0 HD13 LEU A 15 287.523 130.397 395.234 1.00 0.00 H new ATOM 0 HD21 LEU A 15 284.977 129.954 396.839 1.00 0.00 H new ATOM 0 HD22 LEU A 15 286.423 130.817 397.414 1.00 0.00 H new ATOM 0 HD23 LEU A 15 284.833 131.614 397.464 1.00 0.00 H new ATOM 254 N PRO A 16 286.187 135.522 397.493 1.00 0.00 N ATOM 255 CA PRO A 16 286.979 136.599 398.085 1.00 0.00 C ATOM 256 C PRO A 16 288.466 136.292 398.104 1.00 0.00 C ATOM 257 O PRO A 16 288.840 135.135 397.961 1.00 0.00 O ATOM 258 CB PRO A 16 286.514 136.599 399.547 1.00 0.00 C ATOM 259 CG PRO A 16 286.158 135.141 399.836 1.00 0.00 C ATOM 260 CD PRO A 16 285.480 134.762 398.527 1.00 0.00 C ATOM 0 HA PRO A 16 286.846 137.528 397.530 1.00 0.00 H new ATOM 0 HB2 PRO A 16 287.300 136.955 400.213 1.00 0.00 H new ATOM 0 HB3 PRO A 16 285.654 137.253 399.690 1.00 0.00 H new ATOM 0 HG2 PRO A 16 287.038 134.531 400.040 1.00 0.00 H new ATOM 0 HG3 PRO A 16 285.493 135.038 400.693 1.00 0.00 H new ATOM 0 HD2 PRO A 16 285.549 133.690 398.344 1.00 0.00 H new ATOM 0 HD3 PRO A 16 284.420 135.014 398.545 1.00 0.00 H new ATOM 268 N GLU A 17 289.304 137.322 398.341 1.00 0.00 N ATOM 269 CA GLU A 17 290.751 137.226 398.408 1.00 0.00 C ATOM 270 C GLU A 17 291.261 136.898 399.813 1.00 0.00 C ATOM 271 O GLU A 17 290.562 137.037 400.820 1.00 0.00 O ATOM 272 CB GLU A 17 291.376 138.568 397.927 1.00 0.00 C ATOM 273 CG GLU A 17 290.827 139.103 396.585 1.00 0.00 C ATOM 274 CD GLU A 17 290.832 138.013 395.518 1.00 0.00 C ATOM 275 OE1 GLU A 17 291.951 137.533 395.198 1.00 0.00 O ATOM 276 OE2 GLU A 17 289.737 137.654 395.008 1.00 0.00 O1- ATOM 0 H GLU A 17 288.965 138.272 398.495 1.00 0.00 H new ATOM 0 HA GLU A 17 291.053 136.404 397.759 1.00 0.00 H new ATOM 0 HB2 GLU A 17 291.212 139.323 398.696 1.00 0.00 H new ATOM 0 HB3 GLU A 17 292.454 138.436 397.834 1.00 0.00 H new ATOM 0 HG2 GLU A 17 289.812 139.474 396.726 1.00 0.00 H new ATOM 0 HG3 GLU A 17 291.432 139.946 396.251 1.00 0.00 H new ATOM 283 N SER A 18 292.549 136.502 399.907 1.00 0.00 N ATOM 284 CA SER A 18 293.296 136.121 401.099 1.00 0.00 C ATOM 285 C SER A 18 293.380 137.053 402.306 1.00 0.00 C ATOM 286 O SER A 18 293.573 136.544 403.406 1.00 0.00 O ATOM 287 CB SER A 18 294.674 135.523 400.761 1.00 0.00 C ATOM 288 OG SER A 18 295.332 136.266 399.729 1.00 0.00 O ATOM 0 H SER A 18 293.132 136.440 399.072 1.00 0.00 H new ATOM 0 HA SER A 18 292.612 135.365 401.485 1.00 0.00 H new ATOM 0 HB2 SER A 18 295.296 135.513 401.656 1.00 0.00 H new ATOM 0 HB3 SER A 18 294.554 134.487 400.444 1.00 0.00 H new ATOM 0 HG SER A 18 296.204 135.861 399.540 1.00 0.00 H new ATOM 294 N HIS A 19 293.190 138.408 402.165 1.00 0.00 N ATOM 295 CA HIS A 19 293.103 139.396 403.260 1.00 0.00 C ATOM 296 C HIS A 19 291.924 139.105 404.201 1.00 0.00 C ATOM 297 O HIS A 19 292.093 139.004 405.409 1.00 0.00 O ATOM 298 CB HIS A 19 293.050 140.878 402.741 1.00 0.00 C ATOM 299 CG HIS A 19 291.913 141.247 401.798 1.00 0.00 C ATOM 300 ND1 HIS A 19 291.171 140.472 400.965 1.00 0.00 N flip ATOM 301 CD2 HIS A 19 291.442 142.533 401.603 1.00 0.00 C flip ATOM 302 CE1 HIS A 19 290.244 141.222 400.277 1.00 0.00 C flip ATOM 303 NE2 HIS A 19 290.435 142.449 400.692 1.00 0.00 N flip ATOM 0 H HIS A 19 293.092 138.841 401.247 1.00 0.00 H new ATOM 0 HA HIS A 19 294.026 139.290 403.831 1.00 0.00 H new ATOM 0 HB2 HIS A 19 292.997 141.537 403.607 1.00 0.00 H new ATOM 0 HB3 HIS A 19 293.991 141.092 402.235 1.00 0.00 H new ATOM 0 HD2 HIS A 19 291.804 143.431 402.082 1.00 0.00 H new ATOM 0 HE1 HIS A 19 289.520 140.875 399.555 1.00 0.00 H new ATOM 0 HE2 HIS A 19 289.891 143.250 400.369 1.00 0.00 H new ATOM 311 N ILE A 20 290.717 138.846 403.622 1.00 0.00 N ATOM 312 CA ILE A 20 289.579 138.211 404.293 1.00 0.00 C ATOM 313 C ILE A 20 289.673 136.707 404.408 1.00 0.00 C ATOM 314 O ILE A 20 289.323 136.162 405.457 1.00 0.00 O ATOM 315 CB ILE A 20 288.166 138.643 403.822 1.00 0.00 C ATOM 316 CG1 ILE A 20 287.327 137.553 403.093 1.00 0.00 C ATOM 317 CG2 ILE A 20 288.283 139.895 402.928 1.00 0.00 C ATOM 318 CD1 ILE A 20 286.081 138.095 402.410 1.00 0.00 C ATOM 0 H ILE A 20 290.519 139.085 402.650 1.00 0.00 H new ATOM 0 HA ILE A 20 289.685 138.625 405.296 1.00 0.00 H new ATOM 0 HB ILE A 20 287.614 138.849 404.739 1.00 0.00 H new ATOM 0 HG12 ILE A 20 287.954 137.062 402.349 1.00 0.00 H new ATOM 0 HG13 ILE A 20 287.033 136.791 403.815 1.00 0.00 H new ATOM 0 HG21 ILE A 20 287.290 140.199 402.596 1.00 0.00 H new ATOM 0 HG22 ILE A 20 288.741 140.706 403.495 1.00 0.00 H new ATOM 0 HG23 ILE A 20 288.901 139.666 402.060 1.00 0.00 H new ATOM 0 HD11 ILE A 20 285.548 137.278 401.924 1.00 0.00 H new ATOM 0 HD12 ILE A 20 285.433 138.560 403.152 1.00 0.00 H new ATOM 0 HD13 ILE A 20 286.368 138.836 401.664 1.00 0.00 H new ATOM 330 N PHE A 21 290.076 135.968 403.314 1.00 0.00 N ATOM 331 CA PHE A 21 289.951 134.512 403.223 1.00 0.00 C ATOM 332 C PHE A 21 290.826 133.771 404.259 1.00 0.00 C ATOM 333 O PHE A 21 290.299 133.005 405.064 1.00 0.00 O ATOM 334 CB PHE A 21 289.951 134.027 401.718 1.00 0.00 C ATOM 335 CG PHE A 21 289.335 132.672 401.368 1.00 0.00 C ATOM 336 CD1 PHE A 21 289.191 132.301 400.031 1.00 0.00 C ATOM 337 CD2 PHE A 21 288.998 131.718 402.311 1.00 0.00 C ATOM 338 CE1 PHE A 21 288.905 130.984 399.691 1.00 0.00 C ATOM 339 CE2 PHE A 21 288.871 130.398 401.962 1.00 0.00 C ATOM 340 CZ PHE A 21 288.843 130.008 400.660 1.00 0.00 C ATOM 0 H PHE A 21 290.493 136.391 402.485 1.00 0.00 H new ATOM 0 HA PHE A 21 288.962 134.196 403.556 1.00 0.00 H new ATOM 0 HB2 PHE A 21 289.432 134.784 401.130 1.00 0.00 H new ATOM 0 HB3 PHE A 21 290.987 134.014 401.378 1.00 0.00 H new ATOM 0 HD1 PHE A 21 289.303 133.043 399.254 1.00 0.00 H new ATOM 0 HD2 PHE A 21 288.833 132.017 403.336 1.00 0.00 H new ATOM 0 HE1 PHE A 21 288.730 130.724 398.657 1.00 0.00 H new ATOM 0 HE2 PHE A 21 288.791 129.652 402.739 1.00 0.00 H new ATOM 0 HZ PHE A 21 288.774 128.964 400.394 1.00 0.00 H new ATOM 350 N PHE A 22 292.167 134.039 404.331 1.00 0.00 N ATOM 351 CA PHE A 22 293.108 133.491 405.327 1.00 0.00 C ATOM 352 C PHE A 22 292.900 134.094 406.740 1.00 0.00 C ATOM 353 O PHE A 22 293.333 133.456 407.694 1.00 0.00 O ATOM 354 CB PHE A 22 294.663 133.591 404.951 1.00 0.00 C ATOM 355 CG PHE A 22 295.269 132.429 404.141 1.00 0.00 C ATOM 356 CD1 PHE A 22 295.863 132.656 402.906 1.00 0.00 C ATOM 357 CD2 PHE A 22 295.402 131.128 404.631 1.00 0.00 C ATOM 358 CE1 PHE A 22 296.333 131.619 402.116 1.00 0.00 C ATOM 359 CE2 PHE A 22 295.763 130.076 403.819 1.00 0.00 C ATOM 360 CZ PHE A 22 296.171 130.315 402.532 1.00 0.00 C ATOM 0 H PHE A 22 292.625 134.665 403.669 1.00 0.00 H new ATOM 0 HA PHE A 22 292.853 132.431 405.324 1.00 0.00 H new ATOM 0 HB2 PHE A 22 294.815 134.511 404.387 1.00 0.00 H new ATOM 0 HB3 PHE A 22 295.229 133.688 405.878 1.00 0.00 H new ATOM 0 HD1 PHE A 22 295.961 133.671 402.551 1.00 0.00 H new ATOM 0 HD2 PHE A 22 295.216 130.941 405.678 1.00 0.00 H new ATOM 0 HE1 PHE A 22 296.824 131.832 401.178 1.00 0.00 H new ATOM 0 HE2 PHE A 22 295.725 129.064 404.195 1.00 0.00 H new ATOM 0 HZ PHE A 22 296.362 129.495 401.855 1.00 0.00 H new ATOM 370 N ALA A 23 292.270 135.306 406.943 1.00 0.00 N ATOM 371 CA ALA A 23 292.166 135.902 408.284 1.00 0.00 C ATOM 372 C ALA A 23 290.788 136.022 408.958 1.00 0.00 C ATOM 373 O ALA A 23 290.722 136.155 410.178 1.00 0.00 O ATOM 374 CB ALA A 23 292.818 137.303 408.240 1.00 0.00 C ATOM 0 H ALA A 23 291.844 135.860 406.200 1.00 0.00 H new ATOM 0 HA ALA A 23 292.673 135.173 408.916 1.00 0.00 H new ATOM 0 HB1 ALA A 23 292.753 137.766 409.225 1.00 0.00 H new ATOM 0 HB2 ALA A 23 293.865 137.208 407.952 1.00 0.00 H new ATOM 0 HB3 ALA A 23 292.296 137.924 407.512 1.00 0.00 H new ATOM 380 N THR A 24 289.644 135.998 408.219 1.00 0.00 N ATOM 381 CA THR A 24 288.294 136.207 408.779 1.00 0.00 C ATOM 382 C THR A 24 287.549 134.882 408.896 1.00 0.00 C ATOM 383 O THR A 24 287.392 134.169 407.907 1.00 0.00 O ATOM 384 CB THR A 24 287.475 137.191 407.918 1.00 0.00 C ATOM 385 OG1 THR A 24 288.162 138.429 407.795 1.00 0.00 O ATOM 386 CG2 THR A 24 286.095 137.545 408.509 1.00 0.00 C ATOM 0 H THR A 24 289.641 135.831 407.213 1.00 0.00 H new ATOM 0 HA THR A 24 288.415 136.638 409.773 1.00 0.00 H new ATOM 0 HB THR A 24 287.342 136.676 406.967 1.00 0.00 H new ATOM 0 HG1 THR A 24 287.633 139.044 407.245 1.00 0.00 H new ATOM 0 HG21 THR A 24 285.582 138.241 407.845 1.00 0.00 H new ATOM 0 HG22 THR A 24 285.500 136.638 408.613 1.00 0.00 H new ATOM 0 HG23 THR A 24 286.226 138.007 409.488 1.00 0.00 H new ATOM 394 N VAL A 25 287.008 134.506 410.106 1.00 0.00 N ATOM 395 CA VAL A 25 286.230 133.286 410.476 1.00 0.00 C ATOM 396 C VAL A 25 285.016 133.020 409.622 1.00 0.00 C ATOM 397 O VAL A 25 284.650 131.872 409.419 1.00 0.00 O ATOM 398 CB VAL A 25 285.805 133.182 411.949 1.00 0.00 C ATOM 399 CG1 VAL A 25 285.330 131.747 412.312 1.00 0.00 C ATOM 400 CG2 VAL A 25 286.991 133.570 412.854 1.00 0.00 C ATOM 0 H VAL A 25 287.122 135.113 410.918 1.00 0.00 H new ATOM 0 HA VAL A 25 286.980 132.519 410.283 1.00 0.00 H new ATOM 0 HB VAL A 25 284.969 133.864 412.105 1.00 0.00 H new ATOM 0 HG11 VAL A 25 285.038 131.715 413.362 1.00 0.00 H new ATOM 0 HG12 VAL A 25 284.476 131.478 411.690 1.00 0.00 H new ATOM 0 HG13 VAL A 25 286.142 131.040 412.139 1.00 0.00 H new ATOM 0 HG21 VAL A 25 286.690 133.497 413.899 1.00 0.00 H new ATOM 0 HG22 VAL A 25 287.826 132.895 412.668 1.00 0.00 H new ATOM 0 HG23 VAL A 25 287.296 134.593 412.635 1.00 0.00 H new ATOM 410 N ALA A 26 284.459 134.088 408.973 1.00 0.00 N ATOM 411 CA ALA A 26 283.431 134.124 407.928 1.00 0.00 C ATOM 412 C ALA A 26 283.762 133.149 406.788 1.00 0.00 C ATOM 413 O ALA A 26 282.918 132.408 406.295 1.00 0.00 O ATOM 414 CB ALA A 26 283.309 135.572 407.382 1.00 0.00 C ATOM 0 H ALA A 26 284.762 135.034 409.206 1.00 0.00 H new ATOM 0 HA ALA A 26 282.480 133.814 408.361 1.00 0.00 H new ATOM 0 HB1 ALA A 26 282.546 135.605 406.604 1.00 0.00 H new ATOM 0 HB2 ALA A 26 283.030 136.244 408.193 1.00 0.00 H new ATOM 0 HB3 ALA A 26 284.266 135.885 406.964 1.00 0.00 H new ATOM 420 N ALA A 27 285.063 133.042 406.456 1.00 0.00 N ATOM 421 CA ALA A 27 285.555 131.951 405.652 1.00 0.00 C ATOM 422 C ALA A 27 286.432 130.973 406.471 1.00 0.00 C ATOM 423 O ALA A 27 286.278 129.761 406.336 1.00 0.00 O ATOM 424 CB ALA A 27 286.311 132.651 404.510 1.00 0.00 C ATOM 0 H ALA A 27 285.779 133.709 406.742 1.00 0.00 H new ATOM 0 HA ALA A 27 284.761 131.309 405.271 1.00 0.00 H new ATOM 0 HB1 ALA A 27 286.727 131.902 403.836 1.00 0.00 H new ATOM 0 HB2 ALA A 27 285.624 133.293 403.959 1.00 0.00 H new ATOM 0 HB3 ALA A 27 287.118 133.255 404.925 1.00 0.00 H new ATOM 430 N HIS A 28 287.336 131.421 407.412 1.00 0.00 N ATOM 431 CA HIS A 28 288.290 130.576 408.188 1.00 0.00 C ATOM 432 C HIS A 28 287.713 129.415 409.028 1.00 0.00 C ATOM 433 O HIS A 28 288.423 128.474 409.364 1.00 0.00 O ATOM 434 CB HIS A 28 289.374 131.368 408.986 1.00 0.00 C ATOM 435 CG HIS A 28 290.500 130.523 409.588 1.00 0.00 C ATOM 436 ND1 HIS A 28 291.093 129.362 409.169 1.00 0.00 N flip ATOM 437 CD2 HIS A 28 291.114 130.832 410.783 1.00 0.00 C flip ATOM 438 CE1 HIS A 28 292.043 128.937 410.088 1.00 0.00 C flip ATOM 439 NE2 HIS A 28 292.021 129.854 411.034 1.00 0.00 N flip ATOM 0 H HIS A 28 287.414 132.410 407.650 1.00 0.00 H new ATOM 0 HA HIS A 28 288.786 130.075 407.356 1.00 0.00 H new ATOM 0 HB2 HIS A 28 289.816 132.112 408.323 1.00 0.00 H new ATOM 0 HB3 HIS A 28 288.881 131.912 409.792 1.00 0.00 H new ATOM 0 HD2 HIS A 28 290.911 131.692 411.404 1.00 0.00 H new ATOM 0 HE1 HIS A 28 292.661 128.053 410.039 1.00 0.00 H new ATOM 0 HE2 HIS A 28 292.618 129.831 411.861 1.00 0.00 H new ATOM 447 N LYS A 29 286.382 129.418 409.339 1.00 0.00 N ATOM 448 CA LYS A 29 285.620 128.352 410.001 1.00 0.00 C ATOM 449 C LYS A 29 285.581 127.013 409.246 1.00 0.00 C ATOM 450 O LYS A 29 285.271 125.967 409.805 1.00 0.00 O ATOM 451 CB LYS A 29 284.152 128.842 410.263 1.00 0.00 C ATOM 452 CG LYS A 29 283.196 128.921 409.040 1.00 0.00 C ATOM 453 CD LYS A 29 282.228 130.115 408.920 1.00 0.00 C ATOM 454 CE LYS A 29 281.600 130.596 410.234 1.00 0.00 C ATOM 455 NZ LYS A 29 280.693 131.743 409.991 1.00 0.00 N1+ ATOM 0 H LYS A 29 285.792 130.219 409.114 1.00 0.00 H new ATOM 0 HA LYS A 29 286.150 128.151 410.932 1.00 0.00 H new ATOM 0 HB2 LYS A 29 283.702 128.178 411.000 1.00 0.00 H new ATOM 0 HB3 LYS A 29 284.203 129.832 410.715 1.00 0.00 H new ATOM 0 HG2 LYS A 29 283.811 128.906 408.141 1.00 0.00 H new ATOM 0 HG3 LYS A 29 282.597 128.010 409.032 1.00 0.00 H new ATOM 0 HD2 LYS A 29 282.764 130.950 408.468 1.00 0.00 H new ATOM 0 HD3 LYS A 29 281.426 129.842 408.234 1.00 0.00 H new ATOM 0 HE2 LYS A 29 281.046 129.780 410.699 1.00 0.00 H new ATOM 0 HE3 LYS A 29 282.384 130.888 410.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 280.278 132.054 410.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 281.230 132.527 409.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 279.934 131.454 409.342 1.00 0.00 H new ATOM 469 N TYR A 30 285.853 127.069 407.918 1.00 0.00 N ATOM 470 CA TYR A 30 285.796 126.014 406.928 1.00 0.00 C ATOM 471 C TYR A 30 287.180 125.553 406.434 1.00 0.00 C ATOM 472 O TYR A 30 287.531 124.387 406.587 1.00 0.00 O ATOM 473 CB TYR A 30 284.935 126.618 405.787 1.00 0.00 C ATOM 474 CG TYR A 30 283.439 126.522 405.976 1.00 0.00 C ATOM 475 CD1 TYR A 30 282.769 126.287 407.168 1.00 0.00 C ATOM 476 CD2 TYR A 30 282.668 126.844 404.888 1.00 0.00 C ATOM 477 CE1 TYR A 30 281.412 126.534 407.282 1.00 0.00 C ATOM 478 CE2 TYR A 30 281.320 127.007 404.979 1.00 0.00 C ATOM 479 CZ TYR A 30 280.669 126.890 406.184 1.00 0.00 C ATOM 480 OH TYR A 30 279.277 127.087 406.299 1.00 0.00 O ATOM 0 H TYR A 30 286.144 127.949 407.493 1.00 0.00 H new ATOM 0 HA TYR A 30 285.369 125.101 407.343 1.00 0.00 H new ATOM 0 HB2 TYR A 30 285.202 127.669 405.672 1.00 0.00 H new ATOM 0 HB3 TYR A 30 285.198 126.119 404.855 1.00 0.00 H new ATOM 0 HD1 TYR A 30 283.314 125.906 408.019 1.00 0.00 H new ATOM 0 HD2 TYR A 30 283.146 126.972 403.928 1.00 0.00 H new ATOM 0 HE1 TYR A 30 280.932 126.446 408.246 1.00 0.00 H new ATOM 0 HE2 TYR A 30 280.752 127.232 404.089 1.00 0.00 H new ATOM 0 HH TYR A 30 278.981 127.732 405.623 1.00 0.00 H new ATOM 490 N VAL A 31 287.968 126.454 405.779 1.00 0.00 N ATOM 491 CA VAL A 31 289.297 126.262 405.178 1.00 0.00 C ATOM 492 C VAL A 31 289.852 127.659 405.103 1.00 0.00 C ATOM 493 O VAL A 31 289.060 128.517 404.740 1.00 0.00 O ATOM 494 CB VAL A 31 289.316 125.783 403.698 1.00 0.00 C ATOM 495 CG1 VAL A 31 290.711 125.894 403.037 1.00 0.00 C ATOM 496 CG2 VAL A 31 288.787 124.350 403.618 1.00 0.00 C ATOM 0 H VAL A 31 287.649 127.415 405.654 1.00 0.00 H new ATOM 0 HA VAL A 31 289.819 125.511 405.771 1.00 0.00 H new ATOM 0 HB VAL A 31 288.665 126.450 403.133 1.00 0.00 H new ATOM 0 HG11 VAL A 31 290.654 125.544 402.006 1.00 0.00 H new ATOM 0 HG12 VAL A 31 291.038 126.934 403.050 1.00 0.00 H new ATOM 0 HG13 VAL A 31 291.425 125.283 403.589 1.00 0.00 H new ATOM 0 HG21 VAL A 31 288.800 124.015 402.581 1.00 0.00 H new ATOM 0 HG22 VAL A 31 289.418 123.695 404.219 1.00 0.00 H new ATOM 0 HG23 VAL A 31 287.765 124.318 403.997 1.00 0.00 H new ATOM 506 N PRO A 32 291.085 128.057 405.368 1.00 0.00 N ATOM 507 CA PRO A 32 291.443 129.449 405.142 1.00 0.00 C ATOM 508 C PRO A 32 291.858 129.900 403.725 1.00 0.00 C ATOM 509 O PRO A 32 291.475 131.004 403.393 1.00 0.00 O ATOM 510 CB PRO A 32 292.638 129.575 406.104 1.00 0.00 C ATOM 511 CG PRO A 32 293.288 128.184 406.227 1.00 0.00 C ATOM 512 CD PRO A 32 292.112 127.241 406.019 1.00 0.00 C ATOM 0 HA PRO A 32 290.571 130.085 405.292 1.00 0.00 H new ATOM 0 HB2 PRO A 32 293.358 130.302 405.727 1.00 0.00 H new ATOM 0 HB3 PRO A 32 292.308 129.931 407.080 1.00 0.00 H new ATOM 0 HG2 PRO A 32 294.065 128.033 405.477 1.00 0.00 H new ATOM 0 HG3 PRO A 32 293.754 128.040 407.202 1.00 0.00 H new ATOM 0 HD2 PRO A 32 292.393 126.390 405.398 1.00 0.00 H new ATOM 0 HD3 PRO A 32 291.755 126.839 406.967 1.00 0.00 H new ATOM 520 N SER A 33 292.610 129.168 402.875 1.00 0.00 N ATOM 521 CA SER A 33 293.059 129.679 401.565 1.00 0.00 C ATOM 522 C SER A 33 293.874 128.656 400.779 1.00 0.00 C ATOM 523 O SER A 33 293.972 127.485 401.181 1.00 0.00 O ATOM 524 CB SER A 33 293.260 131.227 401.271 1.00 0.00 C ATOM 525 OG SER A 33 292.175 131.749 400.512 1.00 0.00 O ATOM 0 H SER A 33 292.919 128.217 403.076 1.00 0.00 H new ATOM 0 HA SER A 33 292.099 129.792 401.061 1.00 0.00 H new ATOM 0 HB2 SER A 33 293.345 131.771 402.212 1.00 0.00 H new ATOM 0 HB3 SER A 33 294.194 131.379 400.729 1.00 0.00 H new ATOM 0 HG SER A 33 291.403 131.890 401.099 1.00 0.00 H new ATOM 531 N TYR A 34 294.429 129.026 399.571 1.00 0.00 N ATOM 532 CA TYR A 34 295.132 128.254 398.503 1.00 0.00 C ATOM 533 C TYR A 34 296.180 127.215 398.945 1.00 0.00 C ATOM 534 O TYR A 34 296.414 126.200 398.293 1.00 0.00 O ATOM 535 CB TYR A 34 295.834 129.240 397.516 1.00 0.00 C ATOM 536 CG TYR A 34 295.005 130.477 397.260 1.00 0.00 C ATOM 537 CD1 TYR A 34 293.980 130.518 396.321 1.00 0.00 C ATOM 538 CD2 TYR A 34 295.294 131.613 397.991 1.00 0.00 C ATOM 539 CE1 TYR A 34 293.287 131.693 396.045 1.00 0.00 C ATOM 540 CE2 TYR A 34 294.564 132.756 397.791 1.00 0.00 C ATOM 541 CZ TYR A 34 293.580 132.793 396.839 1.00 0.00 C ATOM 542 OH TYR A 34 292.976 134.032 396.599 1.00 0.00 O ATOM 0 H TYR A 34 294.381 130.008 399.298 1.00 0.00 H new ATOM 0 HA TYR A 34 294.327 127.675 398.051 1.00 0.00 H new ATOM 0 HB2 TYR A 34 296.802 129.531 397.923 1.00 0.00 H new ATOM 0 HB3 TYR A 34 296.026 128.731 396.571 1.00 0.00 H new ATOM 0 HD1 TYR A 34 293.715 129.614 395.792 1.00 0.00 H new ATOM 0 HD2 TYR A 34 296.093 131.601 398.718 1.00 0.00 H new ATOM 0 HE1 TYR A 34 292.557 131.746 395.251 1.00 0.00 H new ATOM 0 HE2 TYR A 34 294.766 133.633 398.388 1.00 0.00 H new ATOM 0 HH TYR A 34 292.004 133.919 396.555 1.00 0.00 H new ATOM 552 N ALA A 35 296.739 127.419 400.158 1.00 0.00 N ATOM 553 CA ALA A 35 297.636 126.566 400.909 1.00 0.00 C ATOM 554 C ALA A 35 297.023 125.274 401.382 1.00 0.00 C ATOM 555 O ALA A 35 297.542 124.189 401.151 1.00 0.00 O ATOM 556 CB ALA A 35 298.057 127.370 402.178 1.00 0.00 C ATOM 0 H ALA A 35 296.542 128.278 400.672 1.00 0.00 H new ATOM 0 HA ALA A 35 298.459 126.298 400.247 1.00 0.00 H new ATOM 0 HB1 ALA A 35 298.737 126.768 402.781 1.00 0.00 H new ATOM 0 HB2 ALA A 35 298.557 128.290 401.876 1.00 0.00 H new ATOM 0 HB3 ALA A 35 297.171 127.614 402.764 1.00 0.00 H new ATOM 562 N PHE A 36 295.805 125.391 401.979 1.00 0.00 N ATOM 563 CA PHE A 36 294.925 124.294 402.326 1.00 0.00 C ATOM 564 C PHE A 36 294.292 123.802 401.016 1.00 0.00 C ATOM 565 O PHE A 36 294.207 122.603 400.795 1.00 0.00 O ATOM 566 CB PHE A 36 293.914 124.717 403.441 1.00 0.00 C ATOM 567 CG PHE A 36 292.984 123.579 403.920 1.00 0.00 C ATOM 568 CD1 PHE A 36 291.992 123.026 403.107 1.00 0.00 C ATOM 569 CD2 PHE A 36 293.047 123.109 405.222 1.00 0.00 C ATOM 570 CE1 PHE A 36 291.099 122.078 403.553 1.00 0.00 C ATOM 571 CE2 PHE A 36 292.147 122.162 405.686 1.00 0.00 C ATOM 572 CZ PHE A 36 291.161 121.656 404.859 1.00 0.00 C ATOM 0 H PHE A 36 295.415 126.299 402.232 1.00 0.00 H new ATOM 0 HA PHE A 36 295.459 123.457 402.775 1.00 0.00 H new ATOM 0 HB2 PHE A 36 294.472 125.098 404.296 1.00 0.00 H new ATOM 0 HB3 PHE A 36 293.302 125.538 403.068 1.00 0.00 H new ATOM 0 HD1 PHE A 36 291.922 123.357 402.081 1.00 0.00 H new ATOM 0 HD2 PHE A 36 293.810 123.487 405.886 1.00 0.00 H new ATOM 0 HE1 PHE A 36 290.357 121.670 402.883 1.00 0.00 H new ATOM 0 HE2 PHE A 36 292.217 121.815 406.706 1.00 0.00 H new ATOM 0 HZ PHE A 36 290.448 120.937 405.235 1.00 0.00 H new ATOM 582 N LEU A 37 293.890 124.712 400.071 1.00 0.00 N ATOM 583 CA LEU A 37 293.321 124.258 398.772 1.00 0.00 C ATOM 584 C LEU A 37 294.195 123.387 397.851 1.00 0.00 C ATOM 585 O LEU A 37 293.701 122.390 397.318 1.00 0.00 O ATOM 586 CB LEU A 37 292.763 125.371 397.826 1.00 0.00 C ATOM 587 CG LEU A 37 292.197 126.629 398.492 1.00 0.00 C ATOM 588 CD1 LEU A 37 291.796 127.703 397.481 1.00 0.00 C ATOM 589 CD2 LEU A 37 291.169 126.562 399.611 1.00 0.00 C ATOM 0 H LEU A 37 293.949 125.724 400.183 1.00 0.00 H new ATOM 0 HA LEU A 37 292.528 123.655 399.214 1.00 0.00 H new ATOM 0 HB2 LEU A 37 293.564 125.675 397.152 1.00 0.00 H new ATOM 0 HB3 LEU A 37 291.978 124.931 397.211 1.00 0.00 H new ATOM 0 HG LEU A 37 293.092 126.885 399.059 1.00 0.00 H new ATOM 0 HD11 LEU A 37 291.402 128.571 398.009 1.00 0.00 H new ATOM 0 HD12 LEU A 37 292.669 127.998 396.898 1.00 0.00 H new ATOM 0 HD13 LEU A 37 291.031 127.307 396.813 1.00 0.00 H new ATOM 0 HD21 LEU A 37 290.912 127.572 399.930 1.00 0.00 H new ATOM 0 HD22 LEU A 37 290.273 126.056 399.252 1.00 0.00 H new ATOM 0 HD23 LEU A 37 291.584 126.010 400.454 1.00 0.00 H new ATOM 601 N ARG A 38 295.515 123.713 397.625 1.00 0.00 N ATOM 602 CA ARG A 38 296.361 122.917 396.716 1.00 0.00 C ATOM 603 C ARG A 38 296.759 121.571 397.272 1.00 0.00 C ATOM 604 O ARG A 38 296.711 120.556 396.583 1.00 0.00 O ATOM 605 CB ARG A 38 297.666 123.677 396.340 1.00 0.00 C ATOM 606 CG ARG A 38 297.415 124.943 395.504 1.00 0.00 C ATOM 607 CD ARG A 38 298.639 125.871 395.411 1.00 0.00 C ATOM 608 NE ARG A 38 298.999 126.384 396.778 1.00 0.00 N ATOM 609 CZ ARG A 38 299.931 127.364 396.993 1.00 0.00 C ATOM 610 NH1 ARG A 38 300.620 127.917 395.952 1.00 0.00 N1+ ATOM 611 NH2 ARG A 38 300.168 127.796 398.266 1.00 0.00 N ATOM 0 H ARG A 38 295.989 124.506 398.058 1.00 0.00 H new ATOM 0 HA ARG A 38 295.736 122.756 395.838 1.00 0.00 H new ATOM 0 HB2 ARG A 38 298.194 123.952 397.253 1.00 0.00 H new ATOM 0 HB3 ARG A 38 298.321 123.007 395.783 1.00 0.00 H new ATOM 0 HG2 ARG A 38 297.114 124.651 394.498 1.00 0.00 H new ATOM 0 HG3 ARG A 38 296.582 125.496 395.938 1.00 0.00 H new ATOM 0 HD2 ARG A 38 299.483 125.331 394.982 1.00 0.00 H new ATOM 0 HD3 ARG A 38 298.423 126.706 394.745 1.00 0.00 H new ATOM 0 HE ARG A 38 298.525 125.981 397.586 1.00 0.00 H new ATOM 0 HH11 ARG A 38 300.443 127.601 394.998 1.00 0.00 H new ATOM 0 HH12 ARG A 38 301.311 128.646 396.128 1.00 0.00 H new ATOM 0 HH21 ARG A 38 299.653 127.389 399.047 1.00 0.00 H new ATOM 0 HH22 ARG A 38 300.860 128.525 398.436 1.00 0.00 H new ATOM 625 N ARG A 39 297.091 121.583 398.584 1.00 0.00 N ATOM 626 CA ARG A 39 297.399 120.457 399.445 1.00 0.00 C ATOM 627 C ARG A 39 296.197 119.561 399.746 1.00 0.00 C ATOM 628 O ARG A 39 296.354 118.347 399.847 1.00 0.00 O ATOM 629 CB ARG A 39 298.162 120.947 400.694 1.00 0.00 C ATOM 630 CG ARG A 39 299.499 121.603 400.286 1.00 0.00 C ATOM 631 CD ARG A 39 300.237 122.306 401.435 1.00 0.00 C ATOM 632 NE ARG A 39 301.572 122.813 400.947 1.00 0.00 N ATOM 633 CZ ARG A 39 301.744 123.975 400.238 1.00 0.00 C ATOM 634 NH1 ARG A 39 300.686 124.780 399.932 1.00 0.00 N1+ ATOM 635 NH2 ARG A 39 302.997 124.330 399.829 1.00 0.00 N ATOM 0 H ARG A 39 297.150 122.464 399.094 1.00 0.00 H new ATOM 0 HA ARG A 39 298.064 119.787 398.901 1.00 0.00 H new ATOM 0 HB2 ARG A 39 297.551 121.663 401.243 1.00 0.00 H new ATOM 0 HB3 ARG A 39 298.351 120.109 401.365 1.00 0.00 H new ATOM 0 HG2 ARG A 39 300.152 120.838 399.865 1.00 0.00 H new ATOM 0 HG3 ARG A 39 299.307 122.329 399.495 1.00 0.00 H new ATOM 0 HD2 ARG A 39 299.638 123.135 401.812 1.00 0.00 H new ATOM 0 HD3 ARG A 39 300.381 121.614 402.265 1.00 0.00 H new ATOM 0 HE ARG A 39 302.400 122.256 401.158 1.00 0.00 H new ATOM 0 HH11 ARG A 39 299.746 124.522 400.231 1.00 0.00 H new ATOM 0 HH12 ARG A 39 300.835 125.640 399.404 1.00 0.00 H new ATOM 0 HH21 ARG A 39 303.794 123.734 400.051 1.00 0.00 H new ATOM 0 HH22 ARG A 39 303.136 125.192 399.301 1.00 0.00 H new ATOM 649 N GLU A 40 294.952 120.123 399.867 1.00 0.00 N ATOM 650 CA GLU A 40 293.738 119.334 400.071 1.00 0.00 C ATOM 651 C GLU A 40 293.121 118.803 398.779 1.00 0.00 C ATOM 652 O GLU A 40 292.633 117.674 398.790 1.00 0.00 O ATOM 653 CB GLU A 40 292.684 120.096 400.925 1.00 0.00 C ATOM 654 CG GLU A 40 291.415 119.308 401.330 1.00 0.00 C ATOM 655 CD GLU A 40 290.256 119.576 400.366 1.00 0.00 C ATOM 656 OE1 GLU A 40 289.713 118.592 399.796 1.00 0.00 O ATOM 657 OE2 GLU A 40 289.898 120.772 400.193 1.00 0.00 O1- ATOM 0 H GLU A 40 294.786 121.128 399.823 1.00 0.00 H new ATOM 0 HA GLU A 40 294.061 118.457 400.633 1.00 0.00 H new ATOM 0 HB2 GLU A 40 293.172 120.446 401.835 1.00 0.00 H new ATOM 0 HB3 GLU A 40 292.372 120.981 400.370 1.00 0.00 H new ATOM 0 HG2 GLU A 40 291.638 118.241 401.345 1.00 0.00 H new ATOM 0 HG3 GLU A 40 291.120 119.587 402.342 1.00 0.00 H new ATOM 664 N LEU A 41 293.096 119.552 397.624 1.00 0.00 N ATOM 665 CA LEU A 41 292.431 118.964 396.445 1.00 0.00 C ATOM 666 C LEU A 41 293.385 118.261 395.482 1.00 0.00 C ATOM 667 O LEU A 41 292.923 117.591 394.561 1.00 0.00 O ATOM 668 CB LEU A 41 291.603 120.019 395.651 1.00 0.00 C ATOM 669 CG LEU A 41 290.301 120.498 396.345 1.00 0.00 C ATOM 670 CD1 LEU A 41 290.305 122.013 396.557 1.00 0.00 C ATOM 671 CD2 LEU A 41 289.038 120.135 395.535 1.00 0.00 C ATOM 0 H LEU A 41 293.496 120.482 397.502 1.00 0.00 H new ATOM 0 HA LEU A 41 291.764 118.210 396.863 1.00 0.00 H new ATOM 0 HB2 LEU A 41 292.235 120.887 395.463 1.00 0.00 H new ATOM 0 HB3 LEU A 41 291.344 119.597 394.680 1.00 0.00 H new ATOM 0 HG LEU A 41 290.274 119.984 397.306 1.00 0.00 H new ATOM 0 HD11 LEU A 41 289.378 122.315 397.045 1.00 0.00 H new ATOM 0 HD12 LEU A 41 291.152 122.290 397.184 1.00 0.00 H new ATOM 0 HD13 LEU A 41 290.387 122.515 395.593 1.00 0.00 H new ATOM 0 HD21 LEU A 41 288.153 120.491 396.062 1.00 0.00 H new ATOM 0 HD22 LEU A 41 289.089 120.604 394.552 1.00 0.00 H new ATOM 0 HD23 LEU A 41 288.979 119.053 395.418 1.00 0.00 H new ATOM 683 N GLY A 42 294.739 118.378 395.667 1.00 0.00 N ATOM 684 CA GLY A 42 295.775 117.748 394.823 1.00 0.00 C ATOM 685 C GLY A 42 295.913 118.388 393.457 1.00 0.00 C ATOM 686 O GLY A 42 296.190 117.732 392.455 1.00 0.00 O ATOM 0 H GLY A 42 295.135 118.929 396.429 1.00 0.00 H new ATOM 0 HA2 GLY A 42 296.734 117.801 395.339 1.00 0.00 H new ATOM 0 HA3 GLY A 42 295.538 116.691 394.698 1.00 0.00 H new ATOM 690 N LEU A 43 295.637 119.713 393.421 1.00 0.00 N ATOM 691 CA LEU A 43 295.491 120.523 392.228 1.00 0.00 C ATOM 692 C LEU A 43 296.738 121.236 391.736 1.00 0.00 C ATOM 693 O LEU A 43 297.572 121.745 392.482 1.00 0.00 O ATOM 694 CB LEU A 43 294.361 121.573 392.433 1.00 0.00 C ATOM 695 CG LEU A 43 292.939 120.975 392.432 1.00 0.00 C ATOM 696 CD1 LEU A 43 291.941 122.036 392.910 1.00 0.00 C ATOM 697 CD2 LEU A 43 292.506 120.462 391.047 1.00 0.00 C ATOM 0 H LEU A 43 295.507 120.256 394.275 1.00 0.00 H new ATOM 0 HA LEU A 43 295.249 119.800 391.449 1.00 0.00 H new ATOM 0 HB2 LEU A 43 294.526 122.089 393.379 1.00 0.00 H new ATOM 0 HB3 LEU A 43 294.429 122.323 391.645 1.00 0.00 H new ATOM 0 HG LEU A 43 292.951 120.118 393.106 1.00 0.00 H new ATOM 0 HD11 LEU A 43 290.935 121.616 392.910 1.00 0.00 H new ATOM 0 HD12 LEU A 43 292.202 122.352 393.920 1.00 0.00 H new ATOM 0 HD13 LEU A 43 291.975 122.895 392.240 1.00 0.00 H new ATOM 0 HD21 LEU A 43 291.498 120.053 391.109 1.00 0.00 H new ATOM 0 HD22 LEU A 43 292.520 121.286 390.333 1.00 0.00 H new ATOM 0 HD23 LEU A 43 293.193 119.683 390.716 1.00 0.00 H new ATOM 709 N SER A 44 296.801 121.359 390.386 1.00 0.00 N ATOM 710 CA SER A 44 297.779 122.057 389.554 1.00 0.00 C ATOM 711 C SER A 44 297.242 123.427 389.118 1.00 0.00 C ATOM 712 O SER A 44 297.804 124.119 388.265 1.00 0.00 O ATOM 713 CB SER A 44 298.141 121.179 388.320 1.00 0.00 C ATOM 714 OG SER A 44 296.961 120.627 387.726 1.00 0.00 O ATOM 0 H SER A 44 296.086 120.921 389.805 1.00 0.00 H new ATOM 0 HA SER A 44 298.684 122.228 390.137 1.00 0.00 H new ATOM 0 HB2 SER A 44 298.677 121.780 387.585 1.00 0.00 H new ATOM 0 HB3 SER A 44 298.811 120.375 388.624 1.00 0.00 H new ATOM 0 HG SER A 44 297.210 120.080 386.952 1.00 0.00 H new ATOM 720 N SER A 45 296.142 123.869 389.788 1.00 0.00 N ATOM 721 CA SER A 45 295.393 125.132 389.696 1.00 0.00 C ATOM 722 C SER A 45 296.140 126.353 390.238 1.00 0.00 C ATOM 723 O SER A 45 295.685 127.487 390.144 1.00 0.00 O ATOM 724 CB SER A 45 293.910 125.084 390.163 1.00 0.00 C ATOM 725 OG SER A 45 293.301 123.849 389.802 1.00 0.00 O ATOM 0 H SER A 45 295.715 123.264 390.490 1.00 0.00 H new ATOM 0 HA SER A 45 295.327 125.270 388.617 1.00 0.00 H new ATOM 0 HB2 SER A 45 293.861 125.215 391.244 1.00 0.00 H new ATOM 0 HB3 SER A 45 293.357 125.910 389.716 1.00 0.00 H new ATOM 0 HG SER A 45 292.491 123.715 390.337 1.00 0.00 H new ATOM 731 N ALA A 46 297.323 126.099 390.855 1.00 0.00 N ATOM 732 CA ALA A 46 298.248 126.922 391.618 1.00 0.00 C ATOM 733 C ALA A 46 298.999 128.021 390.864 1.00 0.00 C ATOM 734 O ALA A 46 299.852 128.694 391.434 1.00 0.00 O ATOM 735 CB ALA A 46 299.345 125.944 392.124 1.00 0.00 C ATOM 0 H ALA A 46 297.691 125.149 390.808 1.00 0.00 H new ATOM 0 HA ALA A 46 297.643 127.436 392.365 1.00 0.00 H new ATOM 0 HB1 ALA A 46 300.081 126.495 392.710 1.00 0.00 H new ATOM 0 HB2 ALA A 46 298.888 125.175 392.746 1.00 0.00 H new ATOM 0 HB3 ALA A 46 299.837 125.476 391.271 1.00 0.00 H new ATOM 741 N HIS A 47 298.697 128.220 389.556 1.00 0.00 N ATOM 742 CA HIS A 47 299.281 129.203 388.657 1.00 0.00 C ATOM 743 C HIS A 47 298.671 130.605 388.793 1.00 0.00 C ATOM 744 O HIS A 47 299.404 131.578 388.941 1.00 0.00 O ATOM 745 CB HIS A 47 299.223 128.697 387.188 1.00 0.00 C ATOM 746 CG HIS A 47 300.082 127.474 386.957 1.00 0.00 C ATOM 747 ND1 HIS A 47 299.731 126.160 387.216 1.00 0.00 N ATOM 748 CD2 HIS A 47 301.362 127.422 386.494 1.00 0.00 C ATOM 749 CE1 HIS A 47 300.804 125.395 386.900 1.00 0.00 C ATOM 750 NE2 HIS A 47 301.813 126.116 386.459 1.00 0.00 N ATOM 0 H HIS A 47 297.991 127.652 389.087 1.00 0.00 H new ATOM 0 HA HIS A 47 300.324 129.313 388.954 1.00 0.00 H new ATOM 0 HB2 HIS A 47 298.190 128.465 386.929 1.00 0.00 H new ATOM 0 HB3 HIS A 47 299.547 129.495 386.520 1.00 0.00 H new ATOM 0 HD1 HIS A 47 298.835 125.831 387.576 1.00 0.00 H new ATOM 0 HD2 HIS A 47 301.944 128.282 386.196 1.00 0.00 H new ATOM 0 HE1 HIS A 47 300.828 124.320 386.998 1.00 0.00 H new ATOM 758 N THR A 48 297.315 130.748 388.740 1.00 0.00 N ATOM 759 CA THR A 48 296.613 132.030 388.850 1.00 0.00 C ATOM 760 C THR A 48 295.382 131.897 389.749 1.00 0.00 C ATOM 761 O THR A 48 294.704 130.857 389.838 1.00 0.00 O ATOM 762 CB THR A 48 296.208 132.690 387.504 1.00 0.00 C ATOM 763 OG1 THR A 48 295.326 131.888 386.725 1.00 0.00 O ATOM 764 CG2 THR A 48 297.440 133.003 386.629 1.00 0.00 C ATOM 0 H THR A 48 296.684 129.956 388.618 1.00 0.00 H new ATOM 0 HA THR A 48 297.348 132.702 389.294 1.00 0.00 H new ATOM 0 HB THR A 48 295.694 133.607 387.793 1.00 0.00 H new ATOM 0 HG1 THR A 48 295.107 132.357 385.893 1.00 0.00 H new ATOM 0 HG21 THR A 48 297.116 133.464 385.696 1.00 0.00 H new ATOM 0 HG22 THR A 48 298.100 133.687 387.162 1.00 0.00 H new ATOM 0 HG23 THR A 48 297.975 132.079 386.411 1.00 0.00 H new ATOM 772 N ASN A 49 294.998 133.047 390.402 1.00 0.00 N ATOM 773 CA ASN A 49 293.835 133.226 391.285 1.00 0.00 C ATOM 774 C ASN A 49 292.520 132.874 390.609 1.00 0.00 C ATOM 775 O ASN A 49 291.691 132.181 391.178 1.00 0.00 O ATOM 776 CB ASN A 49 293.747 134.671 391.881 1.00 0.00 C ATOM 777 CG ASN A 49 293.067 134.645 393.254 1.00 0.00 C ATOM 778 OD1 ASN A 49 291.845 135.196 393.434 1.00 0.00 O flip ATOM 779 ND2 ASN A 49 293.663 134.097 394.179 1.00 0.00 N flip ATOM 0 H ASN A 49 295.535 133.909 390.307 1.00 0.00 H new ATOM 0 HA ASN A 49 293.996 132.524 392.103 1.00 0.00 H new ATOM 0 HB2 ASN A 49 294.747 135.095 391.972 1.00 0.00 H new ATOM 0 HB3 ASN A 49 293.188 135.317 391.204 1.00 0.00 H new ATOM 0 HD21 ASN A 49 294.584 133.688 394.021 1.00 0.00 H new ATOM 0 HD22 ASN A 49 293.237 134.051 395.104 1.00 0.00 H new ATOM 786 N ARG A 50 292.378 133.273 389.319 1.00 0.00 N ATOM 787 CA ARG A 50 291.256 132.966 388.447 1.00 0.00 C ATOM 788 C ARG A 50 291.153 131.524 387.988 1.00 0.00 C ATOM 789 O ARG A 50 290.040 131.044 387.851 1.00 0.00 O ATOM 790 CB ARG A 50 291.058 134.022 387.335 1.00 0.00 C ATOM 791 CG ARG A 50 290.787 135.428 387.921 1.00 0.00 C ATOM 792 CD ARG A 50 289.591 135.506 388.902 1.00 0.00 C ATOM 793 NE ARG A 50 288.311 135.303 388.121 1.00 0.00 N ATOM 794 CZ ARG A 50 287.421 134.274 388.294 1.00 0.00 C ATOM 795 NH1 ARG A 50 287.622 133.305 389.229 1.00 0.00 N1+ ATOM 796 NH2 ARG A 50 286.302 134.225 387.511 1.00 0.00 N ATOM 0 H ARG A 50 293.085 133.843 388.854 1.00 0.00 H new ATOM 0 HA ARG A 50 290.380 133.052 389.089 1.00 0.00 H new ATOM 0 HB2 ARG A 50 291.946 134.056 386.704 1.00 0.00 H new ATOM 0 HB3 ARG A 50 290.225 133.727 386.697 1.00 0.00 H new ATOM 0 HG2 ARG A 50 291.684 135.770 388.437 1.00 0.00 H new ATOM 0 HG3 ARG A 50 290.609 136.121 387.098 1.00 0.00 H new ATOM 0 HD2 ARG A 50 289.687 134.745 389.676 1.00 0.00 H new ATOM 0 HD3 ARG A 50 289.577 136.473 389.406 1.00 0.00 H new ATOM 0 HE ARG A 50 288.091 135.992 387.402 1.00 0.00 H new ATOM 0 HH11 ARG A 50 288.451 133.333 389.822 1.00 0.00 H new ATOM 0 HH12 ARG A 50 286.943 132.551 389.336 1.00 0.00 H new ATOM 0 HH21 ARG A 50 286.138 134.947 386.810 1.00 0.00 H new ATOM 0 HH22 ARG A 50 285.631 133.466 387.628 1.00 0.00 H new ATOM 810 N LYS A 51 292.278 130.778 387.773 1.00 0.00 N ATOM 811 CA LYS A 51 292.311 129.328 387.489 1.00 0.00 C ATOM 812 C LYS A 51 291.980 128.455 388.715 1.00 0.00 C ATOM 813 O LYS A 51 291.134 127.540 388.658 1.00 0.00 O ATOM 814 CB LYS A 51 293.617 128.876 386.789 1.00 0.00 C ATOM 815 CG LYS A 51 293.704 129.386 385.335 1.00 0.00 C ATOM 816 CD LYS A 51 294.986 128.917 384.626 1.00 0.00 C ATOM 817 CE LYS A 51 295.130 129.445 383.191 1.00 0.00 C ATOM 818 NZ LYS A 51 295.254 130.922 383.170 1.00 0.00 N1+ ATOM 0 H LYS A 51 293.210 131.192 387.796 1.00 0.00 H new ATOM 0 HA LYS A 51 291.504 129.164 386.775 1.00 0.00 H new ATOM 0 HB2 LYS A 51 294.475 129.242 387.353 1.00 0.00 H new ATOM 0 HB3 LYS A 51 293.673 127.787 386.795 1.00 0.00 H new ATOM 0 HG2 LYS A 51 292.835 129.037 384.777 1.00 0.00 H new ATOM 0 HG3 LYS A 51 293.668 130.475 385.332 1.00 0.00 H new ATOM 0 HD2 LYS A 51 295.850 129.236 385.209 1.00 0.00 H new ATOM 0 HD3 LYS A 51 295.001 127.827 384.605 1.00 0.00 H new ATOM 0 HE2 LYS A 51 296.007 128.998 382.723 1.00 0.00 H new ATOM 0 HE3 LYS A 51 294.265 129.142 382.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 295.485 131.237 382.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 294.354 131.350 383.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 296.010 131.216 383.821 1.00 0.00 H new ATOM 832 N VAL A 52 292.593 128.758 389.926 1.00 0.00 N ATOM 833 CA VAL A 52 292.228 128.050 391.189 1.00 0.00 C ATOM 834 C VAL A 52 290.834 128.368 391.618 1.00 0.00 C ATOM 835 O VAL A 52 290.062 127.439 391.841 1.00 0.00 O ATOM 836 CB VAL A 52 293.163 128.131 392.418 1.00 0.00 C ATOM 837 CG1 VAL A 52 293.133 129.510 393.122 1.00 0.00 C ATOM 838 CG2 VAL A 52 292.836 127.016 393.461 1.00 0.00 C ATOM 0 H VAL A 52 293.317 129.468 390.035 1.00 0.00 H new ATOM 0 HA VAL A 52 292.346 127.018 390.859 1.00 0.00 H new ATOM 0 HB VAL A 52 294.168 127.982 392.023 1.00 0.00 H new ATOM 0 HG11 VAL A 52 293.811 129.498 393.975 1.00 0.00 H new ATOM 0 HG12 VAL A 52 293.446 130.283 392.421 1.00 0.00 H new ATOM 0 HG13 VAL A 52 292.121 129.721 393.466 1.00 0.00 H new ATOM 0 HG21 VAL A 52 293.513 127.103 394.311 1.00 0.00 H new ATOM 0 HG22 VAL A 52 291.807 127.128 393.803 1.00 0.00 H new ATOM 0 HG23 VAL A 52 292.960 126.037 392.998 1.00 0.00 H new ATOM 848 N TRP A 53 290.449 129.684 391.588 1.00 0.00 N ATOM 849 CA TRP A 53 289.097 130.163 391.806 1.00 0.00 C ATOM 850 C TRP A 53 288.078 129.610 390.844 1.00 0.00 C ATOM 851 O TRP A 53 286.994 129.324 391.283 1.00 0.00 O ATOM 852 CB TRP A 53 288.947 131.685 391.924 1.00 0.00 C ATOM 853 CG TRP A 53 289.380 132.463 393.112 1.00 0.00 C ATOM 854 CD1 TRP A 53 289.075 133.785 393.275 1.00 0.00 C ATOM 855 CD2 TRP A 53 289.761 131.963 394.400 1.00 0.00 C ATOM 856 NE1 TRP A 53 289.223 134.136 394.582 1.00 0.00 N ATOM 857 CE2 TRP A 53 289.755 133.054 395.254 1.00 0.00 C ATOM 858 CE3 TRP A 53 290.045 130.704 394.857 1.00 0.00 C ATOM 859 CZ2 TRP A 53 290.166 132.915 396.536 1.00 0.00 C ATOM 860 CZ3 TRP A 53 290.291 130.559 396.194 1.00 0.00 C ATOM 861 CH2 TRP A 53 290.437 131.657 397.003 1.00 0.00 C ATOM 0 H TRP A 53 291.110 130.439 391.404 1.00 0.00 H new ATOM 0 HA TRP A 53 288.878 129.754 392.793 1.00 0.00 H new ATOM 0 HB2 TRP A 53 289.473 132.112 391.070 1.00 0.00 H new ATOM 0 HB3 TRP A 53 287.887 131.900 391.786 1.00 0.00 H new ATOM 0 HD1 TRP A 53 288.763 134.452 392.485 1.00 0.00 H new ATOM 0 HE1 TRP A 53 288.983 135.039 394.992 1.00 0.00 H new ATOM 0 HE3 TRP A 53 290.074 129.858 394.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 290.278 133.777 397.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 290.371 129.569 396.618 1.00 0.00 H new ATOM 0 HH2 TRP A 53 290.770 131.527 398.022 1.00 0.00 H new ATOM 872 N LYS A 54 288.417 129.340 389.564 1.00 0.00 N ATOM 873 CA LYS A 54 287.601 128.595 388.587 1.00 0.00 C ATOM 874 C LYS A 54 287.426 127.118 388.917 1.00 0.00 C ATOM 875 O LYS A 54 286.306 126.633 388.839 1.00 0.00 O ATOM 876 CB LYS A 54 288.351 128.680 387.245 1.00 0.00 C ATOM 877 CG LYS A 54 288.294 127.551 386.203 1.00 0.00 C ATOM 878 CD LYS A 54 289.045 127.975 384.935 1.00 0.00 C ATOM 879 CE LYS A 54 289.059 126.914 383.826 1.00 0.00 C ATOM 880 NZ LYS A 54 289.792 125.700 384.251 1.00 0.00 N1+ ATOM 0 H LYS A 54 289.305 129.650 389.169 1.00 0.00 H new ATOM 0 HA LYS A 54 286.604 129.036 388.579 1.00 0.00 H new ATOM 0 HB2 LYS A 54 288.001 129.584 386.747 1.00 0.00 H new ATOM 0 HB3 LYS A 54 289.403 128.834 387.483 1.00 0.00 H new ATOM 0 HG2 LYS A 54 288.737 126.643 386.613 1.00 0.00 H new ATOM 0 HG3 LYS A 54 287.257 127.319 385.962 1.00 0.00 H new ATOM 0 HD2 LYS A 54 288.591 128.886 384.545 1.00 0.00 H new ATOM 0 HD3 LYS A 54 290.073 128.220 385.200 1.00 0.00 H new ATOM 0 HE2 LYS A 54 288.036 126.649 383.561 1.00 0.00 H new ATOM 0 HE3 LYS A 54 289.524 127.327 382.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 289.857 125.037 383.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 290.749 125.963 384.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 289.285 125.246 385.038 1.00 0.00 H new ATOM 894 N LYS A 55 288.483 126.344 389.347 1.00 0.00 N ATOM 895 CA LYS A 55 288.283 124.945 389.849 1.00 0.00 C ATOM 896 C LYS A 55 287.409 124.911 391.132 1.00 0.00 C ATOM 897 O LYS A 55 286.432 124.162 391.307 1.00 0.00 O ATOM 898 CB LYS A 55 289.636 124.216 390.120 1.00 0.00 C ATOM 899 CG LYS A 55 290.128 123.338 388.957 1.00 0.00 C ATOM 900 CD LYS A 55 290.565 124.159 387.741 1.00 0.00 C ATOM 901 CE LYS A 55 291.183 123.313 386.619 1.00 0.00 C ATOM 902 NZ LYS A 55 292.453 122.674 387.035 1.00 0.00 N1+ ATOM 0 H LYS A 55 289.453 126.659 389.355 1.00 0.00 H new ATOM 0 HA LYS A 55 287.760 124.414 389.054 1.00 0.00 H new ATOM 0 HB2 LYS A 55 290.398 124.962 390.344 1.00 0.00 H new ATOM 0 HB3 LYS A 55 289.528 123.594 391.009 1.00 0.00 H new ATOM 0 HG2 LYS A 55 290.964 122.727 389.297 1.00 0.00 H new ATOM 0 HG3 LYS A 55 289.332 122.654 388.662 1.00 0.00 H new ATOM 0 HD2 LYS A 55 289.702 124.696 387.347 1.00 0.00 H new ATOM 0 HD3 LYS A 55 291.289 124.909 388.060 1.00 0.00 H new ATOM 0 HE2 LYS A 55 290.474 122.543 386.314 1.00 0.00 H new ATOM 0 HE3 LYS A 55 291.364 123.943 385.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 293.194 122.888 386.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 292.737 123.040 387.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 292.320 121.644 387.094 1.00 0.00 H new ATOM 916 N PHE A 56 287.715 125.906 392.000 1.00 0.00 N ATOM 917 CA PHE A 56 286.964 126.233 393.219 1.00 0.00 C ATOM 918 C PHE A 56 285.492 126.666 392.976 1.00 0.00 C ATOM 919 O PHE A 56 284.551 126.154 393.570 1.00 0.00 O ATOM 920 CB PHE A 56 287.762 127.295 394.010 1.00 0.00 C ATOM 921 CG PHE A 56 288.040 126.867 395.398 1.00 0.00 C ATOM 922 CD1 PHE A 56 287.498 127.507 396.495 1.00 0.00 C ATOM 923 CD2 PHE A 56 288.874 125.783 395.565 1.00 0.00 C ATOM 924 CE1 PHE A 56 287.747 127.031 397.760 1.00 0.00 C ATOM 925 CE2 PHE A 56 289.125 125.314 396.824 1.00 0.00 C ATOM 926 CZ PHE A 56 288.552 125.927 397.908 1.00 0.00 C ATOM 0 H PHE A 56 288.519 126.518 391.859 1.00 0.00 H new ATOM 0 HA PHE A 56 286.866 125.318 393.804 1.00 0.00 H new ATOM 0 HB2 PHE A 56 288.703 127.495 393.498 1.00 0.00 H new ATOM 0 HB3 PHE A 56 287.202 128.230 394.025 1.00 0.00 H new ATOM 0 HD1 PHE A 56 286.879 128.381 396.359 1.00 0.00 H new ATOM 0 HD2 PHE A 56 289.326 125.307 394.707 1.00 0.00 H new ATOM 0 HE1 PHE A 56 287.317 127.517 398.624 1.00 0.00 H new ATOM 0 HE2 PHE A 56 289.774 124.462 396.965 1.00 0.00 H new ATOM 0 HZ PHE A 56 288.737 125.535 398.897 1.00 0.00 H new ATOM 936 N VAL A 57 285.253 127.578 392.006 1.00 0.00 N ATOM 937 CA VAL A 57 283.978 128.022 391.445 1.00 0.00 C ATOM 938 C VAL A 57 283.199 126.973 390.661 1.00 0.00 C ATOM 939 O VAL A 57 281.974 126.913 390.741 1.00 0.00 O ATOM 940 CB VAL A 57 283.654 129.518 391.348 1.00 0.00 C ATOM 941 CG1 VAL A 57 283.574 130.089 392.812 1.00 0.00 C ATOM 942 CG2 VAL A 57 284.503 130.374 390.382 1.00 0.00 C ATOM 0 H VAL A 57 286.032 128.063 391.560 1.00 0.00 H new ATOM 0 HA VAL A 57 283.314 128.096 392.306 1.00 0.00 H new ATOM 0 HB VAL A 57 282.689 129.597 390.847 1.00 0.00 H new ATOM 0 HG11 VAL A 57 283.344 131.154 392.775 1.00 0.00 H new ATOM 0 HG12 VAL A 57 282.791 129.568 393.364 1.00 0.00 H new ATOM 0 HG13 VAL A 57 284.531 129.941 393.313 1.00 0.00 H new ATOM 0 HG21 VAL A 57 284.162 131.409 390.418 1.00 0.00 H new ATOM 0 HG22 VAL A 57 285.551 130.327 390.679 1.00 0.00 H new ATOM 0 HG23 VAL A 57 284.396 129.991 389.367 1.00 0.00 H new ATOM 952 N GLU A 58 283.909 126.028 389.979 1.00 0.00 N ATOM 953 CA GLU A 58 283.377 124.758 389.454 1.00 0.00 C ATOM 954 C GLU A 58 282.852 123.849 390.605 1.00 0.00 C ATOM 955 O GLU A 58 281.772 123.273 390.499 1.00 0.00 O ATOM 956 CB GLU A 58 284.425 124.032 388.565 1.00 0.00 C ATOM 957 CG GLU A 58 283.884 122.833 387.765 1.00 0.00 C ATOM 958 CD GLU A 58 284.998 122.285 386.871 1.00 0.00 C ATOM 959 OE1 GLU A 58 286.034 121.831 387.425 1.00 0.00 O ATOM 960 OE2 GLU A 58 284.826 122.314 385.623 1.00 0.00 O1- ATOM 0 H GLU A 58 284.902 126.145 389.778 1.00 0.00 H new ATOM 0 HA GLU A 58 282.524 124.989 388.815 1.00 0.00 H new ATOM 0 HB2 GLU A 58 284.848 124.754 387.866 1.00 0.00 H new ATOM 0 HB3 GLU A 58 285.241 123.687 389.200 1.00 0.00 H new ATOM 0 HG2 GLU A 58 283.530 122.057 388.444 1.00 0.00 H new ATOM 0 HG3 GLU A 58 283.031 123.139 387.159 1.00 0.00 H new ATOM 967 N ALA A 59 283.566 123.804 391.785 1.00 0.00 N ATOM 968 CA ALA A 59 283.065 123.172 393.024 1.00 0.00 C ATOM 969 C ALA A 59 281.854 123.806 393.680 1.00 0.00 C ATOM 970 O ALA A 59 281.009 123.129 394.234 1.00 0.00 O ATOM 971 CB ALA A 59 284.004 123.298 394.240 1.00 0.00 C ATOM 0 H ALA A 59 284.497 124.208 391.884 1.00 0.00 H new ATOM 0 HA ALA A 59 282.905 122.176 392.612 1.00 0.00 H new ATOM 0 HB1 ALA A 59 283.553 122.805 395.101 1.00 0.00 H new ATOM 0 HB2 ALA A 59 284.960 122.827 394.012 1.00 0.00 H new ATOM 0 HB3 ALA A 59 284.164 124.352 394.468 1.00 0.00 H new ATOM 977 N TYR A 60 281.832 125.166 393.726 1.00 0.00 N ATOM 978 CA TYR A 60 280.947 126.098 394.440 1.00 0.00 C ATOM 979 C TYR A 60 279.408 125.831 394.193 1.00 0.00 C ATOM 980 O TYR A 60 278.509 126.234 394.913 1.00 0.00 O ATOM 981 CB TYR A 60 281.407 127.540 394.006 1.00 0.00 C ATOM 982 CG TYR A 60 281.232 128.817 394.834 1.00 0.00 C ATOM 983 CD1 TYR A 60 282.055 129.110 395.923 1.00 0.00 C ATOM 984 CD2 TYR A 60 280.515 129.879 394.302 1.00 0.00 C ATOM 985 CE1 TYR A 60 282.109 130.365 396.513 1.00 0.00 C ATOM 986 CE2 TYR A 60 280.605 131.150 394.842 1.00 0.00 C ATOM 987 CZ TYR A 60 281.393 131.402 395.946 1.00 0.00 C ATOM 988 OH TYR A 60 281.478 132.713 396.473 1.00 0.00 O ATOM 0 H TYR A 60 282.526 125.689 393.192 1.00 0.00 H new ATOM 0 HA TYR A 60 281.040 125.965 395.518 1.00 0.00 H new ATOM 0 HB2 TYR A 60 282.475 127.462 393.803 1.00 0.00 H new ATOM 0 HB3 TYR A 60 280.915 127.734 393.053 1.00 0.00 H new ATOM 0 HD1 TYR A 60 282.678 128.324 396.325 1.00 0.00 H new ATOM 0 HD2 TYR A 60 279.874 129.710 393.449 1.00 0.00 H new ATOM 0 HE1 TYR A 60 282.701 130.529 397.401 1.00 0.00 H new ATOM 0 HE2 TYR A 60 280.049 131.959 394.391 1.00 0.00 H new ATOM 0 HH TYR A 60 280.664 133.210 396.247 1.00 0.00 H new ATOM 998 N GLY A 61 279.087 125.027 393.154 1.00 0.00 N ATOM 999 CA GLY A 61 277.789 124.400 392.884 1.00 0.00 C ATOM 1000 C GLY A 61 277.550 122.994 393.454 1.00 0.00 C ATOM 1001 O GLY A 61 276.531 122.393 393.133 1.00 0.00 O ATOM 0 H GLY A 61 279.777 124.789 392.441 1.00 0.00 H new ATOM 0 HA2 GLY A 61 277.011 125.057 393.272 1.00 0.00 H new ATOM 0 HA3 GLY A 61 277.657 124.352 391.803 1.00 0.00 H new ATOM 1005 N LYS A 62 278.469 122.414 394.289 1.00 0.00 N ATOM 1006 CA LYS A 62 278.407 121.071 394.887 1.00 0.00 C ATOM 1007 C LYS A 62 277.880 121.012 396.326 1.00 0.00 C ATOM 1008 O LYS A 62 276.947 120.268 396.592 1.00 0.00 O ATOM 1009 CB LYS A 62 279.706 120.221 394.615 1.00 0.00 C ATOM 1010 CG LYS A 62 280.654 119.765 395.756 1.00 0.00 C ATOM 1011 CD LYS A 62 281.519 120.864 396.400 1.00 0.00 C ATOM 1012 CE LYS A 62 281.543 120.795 397.930 1.00 0.00 C ATOM 1013 NZ LYS A 62 282.745 120.116 398.459 1.00 0.00 N1+ ATOM 0 H LYS A 62 279.314 122.913 394.568 1.00 0.00 H new ATOM 0 HA LYS A 62 277.613 120.562 394.341 1.00 0.00 H new ATOM 0 HB2 LYS A 62 279.386 119.318 394.095 1.00 0.00 H new ATOM 0 HB3 LYS A 62 280.313 120.794 393.914 1.00 0.00 H new ATOM 0 HG2 LYS A 62 280.052 119.301 396.537 1.00 0.00 H new ATOM 0 HG3 LYS A 62 281.316 118.993 395.364 1.00 0.00 H new ATOM 0 HD2 LYS A 62 282.539 120.782 396.023 1.00 0.00 H new ATOM 0 HD3 LYS A 62 281.143 121.840 396.093 1.00 0.00 H new ATOM 0 HE2 LYS A 62 281.496 121.806 398.335 1.00 0.00 H new ATOM 0 HE3 LYS A 62 280.653 120.271 398.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 283.014 120.544 399.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 282.540 119.106 398.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 283.528 120.219 397.782 1.00 0.00 H new ATOM 1027 N ALA A 63 278.411 121.800 397.310 1.00 0.00 N ATOM 1028 CA ALA A 63 277.950 121.847 398.726 1.00 0.00 C ATOM 1029 C ALA A 63 276.886 122.919 399.005 1.00 0.00 C ATOM 1030 O ALA A 63 276.804 123.486 400.097 1.00 0.00 O ATOM 1031 CB ALA A 63 279.106 122.029 399.753 1.00 0.00 C ATOM 0 H ALA A 63 279.190 122.434 397.131 1.00 0.00 H new ATOM 0 HA ALA A 63 277.499 120.864 398.863 1.00 0.00 H new ATOM 0 HB1 ALA A 63 278.695 122.054 400.762 1.00 0.00 H new ATOM 0 HB2 ALA A 63 279.804 121.197 399.666 1.00 0.00 H new ATOM 0 HB3 ALA A 63 279.629 122.964 399.550 1.00 0.00 H new ATOM 1037 N ILE A 64 276.075 123.246 397.984 1.00 0.00 N ATOM 1038 CA ILE A 64 275.004 124.248 398.018 1.00 0.00 C ATOM 1039 C ILE A 64 273.575 123.651 398.173 1.00 0.00 C ATOM 1040 O ILE A 64 272.951 123.279 397.181 1.00 0.00 O ATOM 1041 CB ILE A 64 275.180 125.237 396.851 1.00 0.00 C ATOM 1042 CG1 ILE A 64 274.449 126.570 397.130 1.00 0.00 C ATOM 1043 CG2 ILE A 64 274.888 124.644 395.455 1.00 0.00 C ATOM 1044 CD1 ILE A 64 274.878 127.711 396.201 1.00 0.00 C ATOM 0 H ILE A 64 276.155 122.796 397.072 1.00 0.00 H new ATOM 0 HA ILE A 64 275.104 124.822 398.939 1.00 0.00 H new ATOM 0 HB ILE A 64 276.246 125.462 396.804 1.00 0.00 H new ATOM 0 HG12 ILE A 64 273.375 126.414 397.028 1.00 0.00 H new ATOM 0 HG13 ILE A 64 274.632 126.866 398.163 1.00 0.00 H new ATOM 0 HG21 ILE A 64 275.037 125.411 394.695 1.00 0.00 H new ATOM 0 HG22 ILE A 64 275.563 123.809 395.266 1.00 0.00 H new ATOM 0 HG23 ILE A 64 273.857 124.292 395.417 1.00 0.00 H new ATOM 0 HD11 ILE A 64 274.324 128.615 396.455 1.00 0.00 H new ATOM 0 HD12 ILE A 64 275.946 127.895 396.319 1.00 0.00 H new ATOM 0 HD13 ILE A 64 274.670 127.436 395.167 1.00 0.00 H new ATOM 1056 N PRO A 65 272.974 123.482 399.378 1.00 0.00 N ATOM 1057 CA PRO A 65 271.612 122.951 399.539 1.00 0.00 C ATOM 1058 C PRO A 65 270.546 124.069 399.418 1.00 0.00 C ATOM 1059 O PRO A 65 270.922 125.244 399.450 1.00 0.00 O ATOM 1060 CB PRO A 65 271.675 122.385 400.976 1.00 0.00 C ATOM 1061 CG PRO A 65 272.579 123.361 401.734 1.00 0.00 C ATOM 1062 CD PRO A 65 273.604 123.769 400.670 1.00 0.00 C ATOM 0 HA PRO A 65 271.328 122.220 398.782 1.00 0.00 H new ATOM 0 HB2 PRO A 65 270.683 122.332 401.425 1.00 0.00 H new ATOM 0 HB3 PRO A 65 272.084 121.375 400.987 1.00 0.00 H new ATOM 0 HG2 PRO A 65 272.022 124.219 402.110 1.00 0.00 H new ATOM 0 HG3 PRO A 65 273.054 122.888 402.593 1.00 0.00 H new ATOM 0 HD2 PRO A 65 273.857 124.826 400.756 1.00 0.00 H new ATOM 0 HD3 PRO A 65 274.532 123.209 400.786 1.00 0.00 H new ATOM 1070 N PRO A 66 269.218 123.820 399.315 1.00 0.00 N ATOM 1071 CA PRO A 66 268.176 124.862 399.284 1.00 0.00 C ATOM 1072 C PRO A 66 267.900 125.414 400.704 1.00 0.00 C ATOM 1073 O PRO A 66 266.800 125.275 401.233 1.00 0.00 O ATOM 1074 CB PRO A 66 266.981 124.101 398.679 1.00 0.00 C ATOM 1075 CG PRO A 66 267.142 122.666 399.191 1.00 0.00 C ATOM 1076 CD PRO A 66 268.660 122.472 399.204 1.00 0.00 C ATOM 0 HA PRO A 66 268.436 125.751 398.710 1.00 0.00 H new ATOM 0 HB2 PRO A 66 266.033 124.533 398.999 1.00 0.00 H new ATOM 0 HB3 PRO A 66 266.997 124.138 397.590 1.00 0.00 H new ATOM 0 HG2 PRO A 66 266.711 122.541 400.184 1.00 0.00 H new ATOM 0 HG3 PRO A 66 266.649 121.947 398.537 1.00 0.00 H new ATOM 0 HD2 PRO A 66 268.970 121.847 400.042 1.00 0.00 H new ATOM 0 HD3 PRO A 66 269.002 121.978 398.294 1.00 0.00 H new ATOM 1084 N ALA A 67 268.932 126.037 401.325 1.00 0.00 N ATOM 1085 CA ALA A 67 268.959 126.565 402.672 1.00 0.00 C ATOM 1086 C ALA A 67 269.000 128.100 402.650 1.00 0.00 C ATOM 1087 O ALA A 67 269.766 128.669 401.870 1.00 0.00 O ATOM 1088 CB ALA A 67 270.202 125.994 403.390 1.00 0.00 C ATOM 0 H ALA A 67 269.821 126.184 400.846 1.00 0.00 H new ATOM 0 HA ALA A 67 268.056 126.270 403.206 1.00 0.00 H new ATOM 0 HB1 ALA A 67 270.243 126.379 404.409 1.00 0.00 H new ATOM 0 HB2 ALA A 67 270.140 124.906 403.416 1.00 0.00 H new ATOM 0 HB3 ALA A 67 271.102 126.293 402.853 1.00 0.00 H new ATOM 1094 N PRO A 68 268.209 128.830 403.480 1.00 0.00 N ATOM 1095 CA PRO A 68 268.175 130.296 403.504 1.00 0.00 C ATOM 1096 C PRO A 68 269.337 130.899 404.333 1.00 0.00 C ATOM 1097 O PRO A 68 270.081 130.128 404.950 1.00 0.00 O ATOM 1098 CB PRO A 68 266.806 130.561 404.174 1.00 0.00 C ATOM 1099 CG PRO A 68 266.656 129.429 405.191 1.00 0.00 C ATOM 1100 CD PRO A 68 267.272 128.244 404.443 1.00 0.00 C ATOM 0 HA PRO A 68 268.291 130.750 402.520 1.00 0.00 H new ATOM 0 HB2 PRO A 68 266.783 131.537 404.659 1.00 0.00 H new ATOM 0 HB3 PRO A 68 265.997 130.549 403.444 1.00 0.00 H new ATOM 0 HG2 PRO A 68 267.183 129.643 406.120 1.00 0.00 H new ATOM 0 HG3 PRO A 68 265.613 129.250 405.451 1.00 0.00 H new ATOM 0 HD2 PRO A 68 267.785 127.571 405.130 1.00 0.00 H new ATOM 0 HD3 PRO A 68 266.505 127.658 403.937 1.00 0.00 H new ATOM 1108 N PRO A 69 269.555 132.241 404.396 1.00 0.00 N ATOM 1109 CA PRO A 69 270.659 132.900 405.125 1.00 0.00 C ATOM 1110 C PRO A 69 270.683 132.762 406.665 1.00 0.00 C ATOM 1111 O PRO A 69 270.791 133.756 407.379 1.00 0.00 O ATOM 1112 CB PRO A 69 270.568 134.373 404.674 1.00 0.00 C ATOM 1113 CG PRO A 69 269.895 134.303 403.305 1.00 0.00 C ATOM 1114 CD PRO A 69 268.868 133.193 403.519 1.00 0.00 C ATOM 0 HA PRO A 69 271.596 132.403 404.875 1.00 0.00 H new ATOM 0 HB2 PRO A 69 269.984 134.969 405.375 1.00 0.00 H new ATOM 0 HB3 PRO A 69 271.555 134.832 404.610 1.00 0.00 H new ATOM 0 HG2 PRO A 69 269.425 135.248 403.031 1.00 0.00 H new ATOM 0 HG3 PRO A 69 270.603 134.058 402.513 1.00 0.00 H new ATOM 0 HD2 PRO A 69 267.957 133.575 403.980 1.00 0.00 H new ATOM 0 HD3 PRO A 69 268.578 132.730 402.576 1.00 0.00 H new ATOM 1122 N ALA A 70 270.655 131.501 407.163 1.00 0.00 N ATOM 1123 CA ALA A 70 270.803 131.043 408.534 1.00 0.00 C ATOM 1124 C ALA A 70 272.279 130.851 408.925 1.00 0.00 C ATOM 1125 O ALA A 70 272.595 131.234 410.047 1.00 0.00 O ATOM 1126 CB ALA A 70 269.953 129.780 408.805 1.00 0.00 C ATOM 0 H ALA A 70 270.512 130.711 406.534 1.00 0.00 H new ATOM 0 HA ALA A 70 270.416 131.831 409.181 1.00 0.00 H new ATOM 0 HB1 ALA A 70 270.088 129.466 409.840 1.00 0.00 H new ATOM 0 HB2 ALA A 70 268.901 130.005 408.628 1.00 0.00 H new ATOM 0 HB3 ALA A 70 270.270 128.978 408.138 1.00 0.00 H new ATOM 1132 N PRO A 71 273.247 130.283 408.141 1.00 0.00 N ATOM 1133 CA PRO A 71 274.684 130.256 408.474 1.00 0.00 C ATOM 1134 C PRO A 71 275.409 131.627 408.616 1.00 0.00 C ATOM 1135 O PRO A 71 276.243 131.654 409.523 1.00 0.00 O ATOM 1136 CB PRO A 71 275.312 129.368 407.369 1.00 0.00 C ATOM 1137 CG PRO A 71 274.142 128.534 406.845 1.00 0.00 C ATOM 1138 CD PRO A 71 272.988 129.529 406.911 1.00 0.00 C ATOM 0 HA PRO A 71 274.807 129.867 409.485 1.00 0.00 H new ATOM 0 HB2 PRO A 71 275.756 129.972 406.578 1.00 0.00 H new ATOM 0 HB3 PRO A 71 276.104 128.735 407.769 1.00 0.00 H new ATOM 0 HG2 PRO A 71 274.317 128.179 405.829 1.00 0.00 H new ATOM 0 HG3 PRO A 71 273.959 127.655 407.463 1.00 0.00 H new ATOM 0 HD2 PRO A 71 272.972 130.181 406.038 1.00 0.00 H new ATOM 0 HD3 PRO A 71 272.024 129.022 406.948 1.00 0.00 H new ATOM 1146 N PRO A 72 275.250 132.730 407.832 1.00 0.00 N ATOM 1147 CA PRO A 72 275.903 134.019 408.064 1.00 0.00 C ATOM 1148 C PRO A 72 275.233 134.861 409.161 1.00 0.00 C ATOM 1149 O PRO A 72 274.070 134.682 409.519 1.00 0.00 O ATOM 1150 CB PRO A 72 275.774 134.722 406.695 1.00 0.00 C ATOM 1151 CG PRO A 72 274.454 134.210 406.127 1.00 0.00 C ATOM 1152 CD PRO A 72 274.426 132.774 406.624 1.00 0.00 C ATOM 0 HA PRO A 72 276.927 133.889 408.415 1.00 0.00 H new ATOM 0 HB2 PRO A 72 275.765 135.806 406.805 1.00 0.00 H new ATOM 0 HB3 PRO A 72 276.610 134.475 406.041 1.00 0.00 H new ATOM 0 HG2 PRO A 72 273.603 134.784 406.493 1.00 0.00 H new ATOM 0 HG3 PRO A 72 274.431 134.265 405.039 1.00 0.00 H new ATOM 0 HD2 PRO A 72 273.405 132.459 406.841 1.00 0.00 H new ATOM 0 HD3 PRO A 72 274.815 132.095 405.866 1.00 0.00 H new ATOM 1160 N LEU A 73 275.986 135.855 409.692 1.00 0.00 N ATOM 1161 CA LEU A 73 275.497 136.826 410.668 1.00 0.00 C ATOM 1162 C LEU A 73 275.193 138.096 409.873 1.00 0.00 C ATOM 1163 O LEU A 73 276.092 138.838 409.485 1.00 0.00 O ATOM 1164 CB LEU A 73 276.547 137.116 411.790 1.00 0.00 C ATOM 1165 CG LEU A 73 276.598 136.070 412.942 1.00 0.00 C ATOM 1166 CD1 LEU A 73 276.951 134.635 412.505 1.00 0.00 C ATOM 1167 CD2 LEU A 73 277.553 136.505 414.073 1.00 0.00 C ATOM 0 H LEU A 73 276.965 135.996 409.442 1.00 0.00 H new ATOM 0 HA LEU A 73 274.616 136.442 411.182 1.00 0.00 H new ATOM 0 HB2 LEU A 73 277.535 137.177 411.333 1.00 0.00 H new ATOM 0 HB3 LEU A 73 276.334 138.095 412.220 1.00 0.00 H new ATOM 0 HG LEU A 73 275.572 136.042 413.308 1.00 0.00 H new ATOM 0 HD11 LEU A 73 276.962 133.981 413.377 1.00 0.00 H new ATOM 0 HD12 LEU A 73 276.207 134.278 411.793 1.00 0.00 H new ATOM 0 HD13 LEU A 73 277.935 134.629 412.035 1.00 0.00 H new ATOM 0 HD21 LEU A 73 277.559 135.747 414.856 1.00 0.00 H new ATOM 0 HD22 LEU A 73 278.561 136.622 413.674 1.00 0.00 H new ATOM 0 HD23 LEU A 73 277.216 137.454 414.489 1.00 0.00 H new ATOM 1179 N THR A 74 273.894 138.361 409.603 1.00 0.00 N ATOM 1180 CA THR A 74 273.432 139.496 408.812 1.00 0.00 C ATOM 1181 C THR A 74 271.926 139.538 408.977 1.00 0.00 C ATOM 1182 O THR A 74 271.316 138.592 409.471 1.00 0.00 O ATOM 1183 CB THR A 74 273.838 139.432 407.313 1.00 0.00 C ATOM 1184 OG1 THR A 74 273.497 140.609 406.575 1.00 0.00 O ATOM 1185 CG2 THR A 74 273.259 138.201 406.579 1.00 0.00 C ATOM 0 H THR A 74 273.133 137.773 409.941 1.00 0.00 H new ATOM 0 HA THR A 74 273.910 140.407 409.172 1.00 0.00 H new ATOM 0 HB THR A 74 274.924 139.348 407.346 1.00 0.00 H new ATOM 0 HG1 THR A 74 273.781 140.504 405.643 1.00 0.00 H new ATOM 0 HG21 THR A 74 273.579 138.215 405.537 1.00 0.00 H new ATOM 0 HG22 THR A 74 273.619 137.290 407.057 1.00 0.00 H new ATOM 0 HG23 THR A 74 272.170 138.229 406.625 1.00 0.00 H new ATOM 1193 N LEU A 75 271.285 140.634 408.521 1.00 0.00 N ATOM 1194 CA LEU A 75 269.837 140.772 408.504 1.00 0.00 C ATOM 1195 C LEU A 75 269.507 141.659 407.322 1.00 0.00 C ATOM 1196 O LEU A 75 269.812 142.846 407.330 1.00 0.00 O ATOM 1197 CB LEU A 75 269.241 141.339 409.831 1.00 0.00 C ATOM 1198 CG LEU A 75 267.698 141.195 409.995 1.00 0.00 C ATOM 1199 CD1 LEU A 75 267.198 139.737 409.967 1.00 0.00 C ATOM 1200 CD2 LEU A 75 267.177 141.879 411.273 1.00 0.00 C ATOM 0 H LEU A 75 271.775 141.450 408.153 1.00 0.00 H new ATOM 0 HA LEU A 75 269.380 139.787 408.411 1.00 0.00 H new ATOM 0 HB2 LEU A 75 269.725 140.837 410.669 1.00 0.00 H new ATOM 0 HB3 LEU A 75 269.498 142.396 409.901 1.00 0.00 H new ATOM 0 HG LEU A 75 267.292 141.702 409.120 1.00 0.00 H new ATOM 0 HD11 LEU A 75 266.115 139.721 410.087 1.00 0.00 H new ATOM 0 HD12 LEU A 75 267.464 139.279 409.014 1.00 0.00 H new ATOM 0 HD13 LEU A 75 267.661 139.178 410.780 1.00 0.00 H new ATOM 0 HD21 LEU A 75 266.097 141.750 411.340 1.00 0.00 H new ATOM 0 HD22 LEU A 75 267.651 141.430 412.145 1.00 0.00 H new ATOM 0 HD23 LEU A 75 267.414 142.942 411.239 1.00 0.00 H new ATOM 1212 N SER A 76 268.895 141.085 406.257 1.00 0.00 N ATOM 1213 CA SER A 76 268.497 141.840 405.062 1.00 0.00 C ATOM 1214 C SER A 76 266.996 141.901 404.939 1.00 0.00 C ATOM 1215 O SER A 76 266.440 142.991 404.821 1.00 0.00 O ATOM 1216 CB SER A 76 269.092 141.289 403.742 1.00 0.00 C ATOM 1217 OG SER A 76 270.503 141.449 403.740 1.00 0.00 O ATOM 0 H SER A 76 268.668 140.092 406.210 1.00 0.00 H new ATOM 0 HA SER A 76 268.908 142.839 405.206 1.00 0.00 H new ATOM 0 HB2 SER A 76 268.837 140.235 403.631 1.00 0.00 H new ATOM 0 HB3 SER A 76 268.657 141.813 402.891 1.00 0.00 H new ATOM 0 HG SER A 76 270.871 141.097 402.903 1.00 0.00 H new ATOM 1223 N LYS A 77 266.297 140.727 404.957 1.00 0.00 N ATOM 1224 CA LYS A 77 264.854 140.524 404.762 1.00 0.00 C ATOM 1225 C LYS A 77 263.885 141.377 405.591 1.00 0.00 C ATOM 1226 O LYS A 77 262.954 141.980 405.063 1.00 0.00 O ATOM 1227 CB LYS A 77 264.496 139.016 404.927 1.00 0.00 C ATOM 1228 CG LYS A 77 265.448 138.044 404.198 1.00 0.00 C ATOM 1229 CD LYS A 77 265.627 138.328 402.697 1.00 0.00 C ATOM 1230 CE LYS A 77 266.572 137.324 402.021 1.00 0.00 C ATOM 1231 NZ LYS A 77 266.713 137.615 400.575 1.00 0.00 N1+ ATOM 0 H LYS A 77 266.776 139.842 405.121 1.00 0.00 H new ATOM 0 HA LYS A 77 264.697 140.881 403.744 1.00 0.00 H new ATOM 0 HB2 LYS A 77 264.492 138.771 405.989 1.00 0.00 H new ATOM 0 HB3 LYS A 77 263.483 138.855 404.559 1.00 0.00 H new ATOM 0 HG2 LYS A 77 266.425 138.082 404.681 1.00 0.00 H new ATOM 0 HG3 LYS A 77 265.072 137.028 404.320 1.00 0.00 H new ATOM 0 HD2 LYS A 77 264.655 138.296 402.205 1.00 0.00 H new ATOM 0 HD3 LYS A 77 266.018 139.337 402.565 1.00 0.00 H new ATOM 0 HE2 LYS A 77 267.550 137.362 402.500 1.00 0.00 H new ATOM 0 HE3 LYS A 77 266.190 136.312 402.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 267.357 136.922 400.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 265.781 137.555 400.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 267.100 138.572 400.450 1.00 0.00 H new ATOM 1245 N LEU A 78 264.133 141.466 406.920 1.00 0.00 N ATOM 1246 CA LEU A 78 263.372 142.259 407.877 1.00 0.00 C ATOM 1247 C LEU A 78 264.245 143.410 408.373 1.00 0.00 C ATOM 1248 O LEU A 78 264.384 143.635 409.572 1.00 0.00 O ATOM 1249 CB LEU A 78 262.906 141.380 409.075 1.00 0.00 C ATOM 1250 CG LEU A 78 262.076 140.135 408.682 1.00 0.00 C ATOM 1251 CD1 LEU A 78 261.719 139.316 409.934 1.00 0.00 C ATOM 1252 CD2 LEU A 78 260.804 140.489 407.894 1.00 0.00 C ATOM 0 H LEU A 78 264.903 140.961 407.358 1.00 0.00 H new ATOM 0 HA LEU A 78 262.483 142.656 407.388 1.00 0.00 H new ATOM 0 HB2 LEU A 78 263.785 141.053 409.631 1.00 0.00 H new ATOM 0 HB3 LEU A 78 262.313 141.996 409.751 1.00 0.00 H new ATOM 0 HG LEU A 78 262.700 139.535 408.019 1.00 0.00 H new ATOM 0 HD11 LEU A 78 261.135 138.443 409.643 1.00 0.00 H new ATOM 0 HD12 LEU A 78 262.634 138.992 410.430 1.00 0.00 H new ATOM 0 HD13 LEU A 78 261.135 139.932 410.617 1.00 0.00 H new ATOM 0 HD21 LEU A 78 260.263 139.575 407.646 1.00 0.00 H new ATOM 0 HD22 LEU A 78 260.168 141.134 408.500 1.00 0.00 H new ATOM 0 HD23 LEU A 78 261.078 141.009 406.976 1.00 0.00 H new ATOM 1264 N GLU A 79 264.886 144.157 407.441 1.00 0.00 N ATOM 1265 CA GLU A 79 265.813 145.224 407.794 1.00 0.00 C ATOM 1266 C GLU A 79 265.944 146.217 406.655 1.00 0.00 C ATOM 1267 O GLU A 79 265.831 147.424 406.864 1.00 0.00 O ATOM 1268 CB GLU A 79 267.208 144.632 408.161 1.00 0.00 C ATOM 1269 CG GLU A 79 268.276 145.617 408.684 1.00 0.00 C ATOM 1270 CD GLU A 79 267.778 146.339 409.934 1.00 0.00 C ATOM 1271 OE1 GLU A 79 267.496 145.646 410.948 1.00 0.00 O ATOM 1272 OE2 GLU A 79 267.676 147.595 409.894 1.00 0.00 O1- ATOM 0 H GLU A 79 264.767 144.027 406.436 1.00 0.00 H new ATOM 0 HA GLU A 79 265.417 145.749 408.664 1.00 0.00 H new ATOM 0 HB2 GLU A 79 267.060 143.861 408.917 1.00 0.00 H new ATOM 0 HB3 GLU A 79 267.609 144.137 407.276 1.00 0.00 H new ATOM 0 HG2 GLU A 79 269.195 145.077 408.912 1.00 0.00 H new ATOM 0 HG3 GLU A 79 268.517 146.345 407.909 1.00 0.00 H new ATOM 1279 N HIS A 80 266.223 145.694 405.427 1.00 0.00 N ATOM 1280 CA HIS A 80 266.448 146.402 404.169 1.00 0.00 C ATOM 1281 C HIS A 80 267.896 146.851 404.036 1.00 0.00 C ATOM 1282 O HIS A 80 268.805 146.022 404.120 1.00 0.00 O ATOM 1283 CB HIS A 80 265.420 147.540 403.860 1.00 0.00 C ATOM 1284 CG HIS A 80 265.338 148.007 402.426 1.00 0.00 C ATOM 1285 ND1 HIS A 80 266.255 148.833 401.807 1.00 0.00 N ATOM 1286 CD2 HIS A 80 264.370 147.774 401.497 1.00 0.00 C ATOM 1287 CE1 HIS A 80 265.804 149.050 400.546 1.00 0.00 C ATOM 1288 NE2 HIS A 80 264.666 148.430 400.314 1.00 0.00 N ATOM 0 H HIS A 80 266.299 144.685 405.300 1.00 0.00 H new ATOM 0 HA HIS A 80 266.257 145.670 403.385 1.00 0.00 H new ATOM 0 HB2 HIS A 80 264.431 147.197 404.164 1.00 0.00 H new ATOM 0 HB3 HIS A 80 265.665 148.399 404.484 1.00 0.00 H new ATOM 0 HD2 HIS A 80 263.494 147.163 401.660 1.00 0.00 H new ATOM 0 HE1 HIS A 80 266.318 149.660 399.818 1.00 0.00 H new ATOM 0 HE2 HIS A 80 264.121 148.432 399.452 1.00 0.00 H new TER 1296 HIS A 80