USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 460 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 Single : A 1 GLY N :NH3+ -176:sc= 0 (180deg=-0.0104) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -130:sc= -0.206 (180deg=-0.927) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0359 K(o=-0.036,f=-1.2!) USER MOD Single : A 28 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-4.6!) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0.908 K(o=0.91,f=-7.9!) USER MOD Single : A 50 HIS : no HE2:sc= -0.0781 K(o=-0.078,f=-1.2) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.061 13.323 62.456 1.00 0.00 N ATOM 2 CA GLY A 1 -12.534 14.555 63.150 1.00 0.00 C ATOM 3 C GLY A 1 -13.549 15.277 62.270 1.00 0.00 C ATOM 4 O GLY A 1 -14.626 15.655 62.730 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.421 12.795 63.083 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.877 12.726 62.213 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.554 13.587 61.587 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.986 14.295 64.107 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.690 15.211 63.364 1.00 0.00 H new ATOM 10 N SER A 2 -13.196 15.466 61.001 1.00 0.00 N ATOM 11 CA SER A 2 -14.077 16.144 60.058 1.00 0.00 C ATOM 12 C SER A 2 -13.819 15.635 58.645 1.00 0.00 C ATOM 13 O SER A 2 -12.704 15.236 58.312 1.00 0.00 O ATOM 14 CB SER A 2 -13.838 17.653 60.111 1.00 0.00 C ATOM 15 OG SER A 2 -14.701 18.297 59.183 1.00 0.00 O ATOM 0 H SER A 2 -12.308 15.159 60.604 1.00 0.00 H new ATOM 0 HA SER A 2 -15.111 15.935 60.331 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.023 18.027 61.118 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.798 17.877 59.874 1.00 0.00 H new ATOM 0 HG SER A 2 -14.552 19.265 59.215 1.00 0.00 H new ATOM 21 N ALA A 3 -14.856 15.653 57.818 1.00 0.00 N ATOM 22 CA ALA A 3 -14.728 15.192 56.443 1.00 0.00 C ATOM 23 C ALA A 3 -13.684 16.025 55.708 1.00 0.00 C ATOM 24 O ALA A 3 -12.919 15.508 54.894 1.00 0.00 O ATOM 25 CB ALA A 3 -16.073 15.303 55.725 1.00 0.00 C ATOM 0 H ALA A 3 -15.788 15.979 58.073 1.00 0.00 H new ATOM 0 HA ALA A 3 -14.413 14.149 56.451 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -15.967 14.956 54.697 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -16.812 14.690 56.240 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -16.401 16.343 55.725 1.00 0.00 H new ATOM 31 N GLY A 4 -13.660 17.319 56.005 1.00 0.00 N ATOM 32 CA GLY A 4 -12.708 18.224 55.369 1.00 0.00 C ATOM 33 C GLY A 4 -13.186 18.631 53.980 1.00 0.00 C ATOM 34 O GLY A 4 -14.315 18.335 53.590 1.00 0.00 O ATOM 0 H GLY A 4 -14.284 17.764 56.678 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.576 19.112 55.987 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.734 17.740 55.295 1.00 0.00 H new ATOM 38 N LEU A 5 -12.317 19.306 53.236 1.00 0.00 N ATOM 39 CA LEU A 5 -12.660 19.744 51.886 1.00 0.00 C ATOM 40 C LEU A 5 -12.909 18.540 50.985 1.00 0.00 C ATOM 41 O LEU A 5 -13.818 18.550 50.155 1.00 0.00 O ATOM 42 CB LEU A 5 -11.532 20.603 51.296 1.00 0.00 C ATOM 43 CG LEU A 5 -11.463 21.968 52.004 1.00 0.00 C ATOM 44 CD1 LEU A 5 -10.187 22.691 51.558 1.00 0.00 C ATOM 45 CD2 LEU A 5 -12.694 22.827 51.647 1.00 0.00 C ATOM 0 H LEU A 5 -11.377 19.561 53.540 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.569 20.342 51.943 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -10.579 20.084 51.402 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.699 20.749 50.229 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.452 21.813 53.083 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.126 23.660 52.053 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.317 22.092 51.826 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.210 22.836 50.478 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.627 23.788 52.157 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -12.724 22.989 50.570 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.601 22.311 51.962 1.00 0.00 H new ATOM 57 N GLN A 6 -12.094 17.503 51.153 1.00 0.00 N ATOM 58 CA GLN A 6 -12.233 16.294 50.351 1.00 0.00 C ATOM 59 C GLN A 6 -12.407 16.649 48.876 1.00 0.00 C ATOM 60 O GLN A 6 -13.496 16.512 48.319 1.00 0.00 O ATOM 61 CB GLN A 6 -13.438 15.485 50.834 1.00 0.00 C ATOM 62 CG GLN A 6 -13.470 14.132 50.119 1.00 0.00 C ATOM 63 CD GLN A 6 -14.612 13.280 50.666 1.00 0.00 C ATOM 64 OE1 GLN A 6 -15.316 13.702 51.584 1.00 0.00 O ATOM 65 NE2 GLN A 6 -14.837 12.102 50.154 1.00 0.00 N ATOM 0 H GLN A 6 -11.335 17.476 51.834 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.329 15.696 50.463 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.380 15.336 51.912 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.359 16.033 50.637 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.598 14.281 49.047 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.521 13.615 50.258 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -14.252 11.756 49.394 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -15.598 11.527 50.514 1.00 0.00 H new ATOM 74 N GLU A 7 -11.325 17.109 48.251 1.00 0.00 N ATOM 75 CA GLU A 7 -11.359 17.487 46.837 1.00 0.00 C ATOM 76 C GLU A 7 -10.066 17.071 46.142 1.00 0.00 C ATOM 77 O GLU A 7 -8.973 17.449 46.568 1.00 0.00 O ATOM 78 CB GLU A 7 -11.551 19.004 46.721 1.00 0.00 C ATOM 79 CG GLU A 7 -11.630 19.407 45.248 1.00 0.00 C ATOM 80 CD GLU A 7 -11.916 20.901 45.132 1.00 0.00 C ATOM 81 OE1 GLU A 7 -12.040 21.541 46.163 1.00 0.00 O ATOM 82 OE2 GLU A 7 -12.009 21.382 44.015 1.00 0.00 O1- ATOM 0 H GLU A 7 -10.416 17.229 48.698 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.191 16.976 46.352 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.462 19.305 47.239 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.723 19.522 47.205 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.693 19.167 44.746 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.414 18.838 44.748 1.00 0.00 H new ATOM 89 N LYS A 8 -10.196 16.296 45.069 1.00 0.00 N ATOM 90 CA LYS A 8 -9.028 15.839 44.321 1.00 0.00 C ATOM 91 C LYS A 8 -7.980 15.244 45.256 1.00 0.00 C ATOM 92 O LYS A 8 -6.789 15.529 45.129 1.00 0.00 O ATOM 93 CB LYS A 8 -8.419 16.999 43.532 1.00 0.00 C ATOM 94 CG LYS A 8 -9.397 17.440 42.435 1.00 0.00 C ATOM 95 CD LYS A 8 -8.734 18.464 41.504 1.00 0.00 C ATOM 96 CE LYS A 8 -8.567 19.810 42.219 1.00 0.00 C ATOM 97 NZ LYS A 8 -8.100 20.833 41.240 1.00 0.00 N1+ ATOM 0 H LYS A 8 -11.090 15.973 44.700 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.353 15.063 43.627 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.204 17.834 44.199 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.472 16.693 43.088 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.722 16.573 41.859 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.288 17.875 42.887 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.761 18.094 41.181 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -9.339 18.595 40.607 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.514 20.119 42.662 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.849 19.715 43.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.986 21.748 41.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.188 20.537 40.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.800 20.929 40.477 1.00 0.00 H new ATOM 111 N GLU A 9 -8.426 14.412 46.190 1.00 0.00 N ATOM 112 CA GLU A 9 -7.508 13.779 47.134 1.00 0.00 C ATOM 113 C GLU A 9 -6.531 12.857 46.410 1.00 0.00 C ATOM 114 O GLU A 9 -5.353 12.790 46.760 1.00 0.00 O ATOM 115 CB GLU A 9 -8.282 12.976 48.187 1.00 0.00 C ATOM 116 CG GLU A 9 -8.997 13.926 49.152 1.00 0.00 C ATOM 117 CD GLU A 9 -9.921 13.130 50.069 1.00 0.00 C ATOM 118 OE1 GLU A 9 -10.208 11.990 49.743 1.00 0.00 O ATOM 119 OE2 GLU A 9 -10.321 13.669 51.088 1.00 0.00 O1- ATOM 0 H GLU A 9 -9.407 14.161 46.315 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.946 14.571 47.629 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.008 12.326 47.699 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.598 12.331 48.739 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.266 14.475 49.745 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.572 14.663 48.592 1.00 0.00 H new ATOM 126 N ARG A 10 -7.029 12.142 45.407 1.00 0.00 N ATOM 127 CA ARG A 10 -6.189 11.216 44.651 1.00 0.00 C ATOM 128 C ARG A 10 -5.054 11.953 43.945 1.00 0.00 C ATOM 129 O ARG A 10 -3.981 11.389 43.727 1.00 0.00 O ATOM 130 CB ARG A 10 -7.041 10.462 43.626 1.00 0.00 C ATOM 131 CG ARG A 10 -7.559 11.433 42.560 1.00 0.00 C ATOM 132 CD ARG A 10 -8.528 10.698 41.631 1.00 0.00 C ATOM 133 NE ARG A 10 -8.998 11.594 40.580 1.00 0.00 N ATOM 134 CZ ARG A 10 -9.990 12.451 40.799 1.00 0.00 C ATOM 135 NH1 ARG A 10 -10.392 13.241 39.842 1.00 0.00 N1+ ATOM 136 NH2 ARG A 10 -10.563 12.500 41.970 1.00 0.00 N ATOM 0 H ARG A 10 -8.001 12.184 45.100 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.748 10.506 45.350 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.449 9.676 43.157 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.879 9.976 44.125 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.061 12.276 43.034 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.726 11.839 41.987 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.033 9.834 41.188 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.376 10.321 42.203 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.557 11.562 39.661 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.945 13.201 38.926 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.153 13.899 40.010 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.250 11.881 42.717 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.324 13.158 42.138 1.00 0.00 H new ATOM 150 N GLU A 11 -5.288 13.213 43.596 1.00 0.00 N ATOM 151 CA GLU A 11 -4.261 14.006 42.923 1.00 0.00 C ATOM 152 C GLU A 11 -3.063 14.217 43.844 1.00 0.00 C ATOM 153 O GLU A 11 -1.915 14.170 43.406 1.00 0.00 O ATOM 154 CB GLU A 11 -4.820 15.363 42.483 1.00 0.00 C ATOM 155 CG GLU A 11 -5.813 15.174 41.330 1.00 0.00 C ATOM 156 CD GLU A 11 -5.071 14.734 40.072 1.00 0.00 C ATOM 157 OE1 GLU A 11 -3.865 14.906 40.028 1.00 0.00 O ATOM 158 OE2 GLU A 11 -5.722 14.231 39.170 1.00 0.00 O1- ATOM 0 H GLU A 11 -6.166 13.704 43.764 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.939 13.457 42.038 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.314 15.851 43.323 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.006 16.016 42.169 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.561 14.429 41.601 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.346 16.106 41.141 1.00 0.00 H new ATOM 165 N LEU A 12 -3.344 14.450 45.122 1.00 0.00 N ATOM 166 CA LEU A 12 -2.283 14.669 46.101 1.00 0.00 C ATOM 167 C LEU A 12 -1.412 13.423 46.227 1.00 0.00 C ATOM 168 O LEU A 12 -0.191 13.519 46.352 1.00 0.00 O ATOM 169 CB LEU A 12 -2.893 15.005 47.465 1.00 0.00 C ATOM 170 CG LEU A 12 -3.565 16.385 47.421 1.00 0.00 C ATOM 171 CD1 LEU A 12 -4.355 16.597 48.717 1.00 0.00 C ATOM 172 CD2 LEU A 12 -2.509 17.501 47.269 1.00 0.00 C ATOM 0 H LEU A 12 -4.289 14.492 45.503 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.666 15.502 45.764 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.624 14.245 47.741 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.117 14.995 48.231 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.236 16.427 46.563 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.836 17.575 48.694 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.115 15.821 48.811 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.677 16.546 49.569 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.006 18.471 47.240 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.823 17.470 48.115 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.952 17.351 46.344 1.00 0.00 H new ATOM 184 N GLU A 13 -2.048 12.256 46.194 1.00 0.00 N ATOM 185 CA GLU A 13 -1.319 10.999 46.308 1.00 0.00 C ATOM 186 C GLU A 13 -0.334 10.850 45.152 1.00 0.00 C ATOM 187 O GLU A 13 0.808 10.429 45.347 1.00 0.00 O ATOM 188 CB GLU A 13 -2.303 9.824 46.304 1.00 0.00 C ATOM 189 CG GLU A 13 -1.542 8.508 46.484 1.00 0.00 C ATOM 190 CD GLU A 13 -2.524 7.344 46.553 1.00 0.00 C ATOM 191 OE1 GLU A 13 -3.715 7.595 46.463 1.00 0.00 O ATOM 192 OE2 GLU A 13 -2.072 6.220 46.696 1.00 0.00 O1- ATOM 0 H GLU A 13 -3.058 12.155 46.090 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.763 11.001 47.246 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.032 9.946 47.105 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.860 9.807 45.367 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.850 8.362 45.655 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.945 8.545 47.395 1.00 0.00 H new ATOM 199 N ASP A 14 -0.780 11.197 43.950 1.00 0.00 N ATOM 200 CA ASP A 14 0.074 11.100 42.772 1.00 0.00 C ATOM 201 C ASP A 14 1.297 11.998 42.924 1.00 0.00 C ATOM 202 O ASP A 14 2.417 11.595 42.609 1.00 0.00 O ATOM 203 CB ASP A 14 -0.709 11.505 41.523 1.00 0.00 C ATOM 204 CG ASP A 14 0.157 11.321 40.282 1.00 0.00 C ATOM 205 OD1 ASP A 14 1.334 11.041 40.441 1.00 0.00 O ATOM 206 OD2 ASP A 14 -0.369 11.462 39.189 1.00 0.00 O1- ATOM 0 H ASP A 14 -1.721 11.545 43.766 1.00 0.00 H new ATOM 0 HA ASP A 14 0.406 10.067 42.670 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.613 10.901 41.439 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.027 12.545 41.604 1.00 0.00 H new ATOM 211 N LEU A 15 1.074 13.215 43.409 1.00 0.00 N ATOM 212 CA LEU A 15 2.166 14.163 43.599 1.00 0.00 C ATOM 213 C LEU A 15 3.176 13.611 44.600 1.00 0.00 C ATOM 214 O LEU A 15 4.385 13.686 44.382 1.00 0.00 O ATOM 215 CB LEU A 15 1.607 15.502 44.098 1.00 0.00 C ATOM 216 CG LEU A 15 2.741 16.514 44.322 1.00 0.00 C ATOM 217 CD1 LEU A 15 3.494 16.770 43.004 1.00 0.00 C ATOM 218 CD2 LEU A 15 2.138 17.829 44.831 1.00 0.00 C ATOM 0 H LEU A 15 0.154 13.566 43.676 1.00 0.00 H new ATOM 0 HA LEU A 15 2.671 14.319 42.646 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.897 15.899 43.372 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.060 15.349 45.028 1.00 0.00 H new ATOM 0 HG LEU A 15 3.443 16.115 45.054 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.295 17.489 43.176 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.918 15.834 42.640 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.803 17.168 42.261 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.934 18.555 44.994 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.437 18.218 44.092 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.613 17.650 45.769 1.00 0.00 H new ATOM 230 N LYS A 16 2.672 13.057 45.698 1.00 0.00 N ATOM 231 CA LYS A 16 3.539 12.495 46.727 1.00 0.00 C ATOM 232 C LYS A 16 4.380 11.360 46.151 1.00 0.00 C ATOM 233 O LYS A 16 5.579 11.269 46.411 1.00 0.00 O ATOM 234 CB LYS A 16 2.692 11.976 47.894 1.00 0.00 C ATOM 235 CG LYS A 16 3.603 11.425 48.996 1.00 0.00 C ATOM 236 CD LYS A 16 2.750 10.959 50.177 1.00 0.00 C ATOM 237 CE LYS A 16 3.658 10.431 51.287 1.00 0.00 C ATOM 238 NZ LYS A 16 4.399 9.234 50.795 1.00 0.00 N1+ ATOM 0 H LYS A 16 1.674 12.985 45.897 1.00 0.00 H new ATOM 0 HA LYS A 16 4.207 13.277 47.088 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.072 12.780 48.291 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.016 11.195 47.545 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.195 10.595 48.612 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.304 12.194 49.321 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.145 11.785 50.550 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.060 10.179 49.855 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.360 11.205 51.596 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.065 10.170 52.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.303 8.459 51.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.007 8.935 49.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.405 9.472 50.680 1.00 0.00 H new ATOM 252 N ASP A 17 3.742 10.497 45.367 1.00 0.00 N ATOM 253 CA ASP A 17 4.443 9.371 44.760 1.00 0.00 C ATOM 254 C ASP A 17 5.549 9.865 43.833 1.00 0.00 C ATOM 255 O ASP A 17 6.637 9.292 43.789 1.00 0.00 O ATOM 256 CB ASP A 17 3.457 8.509 43.967 1.00 0.00 C ATOM 257 CG ASP A 17 2.541 7.752 44.921 1.00 0.00 C ATOM 258 OD1 ASP A 17 2.846 7.718 46.102 1.00 0.00 O ATOM 259 OD2 ASP A 17 1.548 7.216 44.459 1.00 0.00 O1- ATOM 0 H ASP A 17 2.750 10.554 45.138 1.00 0.00 H new ATOM 0 HA ASP A 17 4.890 8.774 45.555 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.864 9.138 43.303 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.001 7.805 43.337 1.00 0.00 H new ATOM 264 N ALA A 18 5.263 10.932 43.094 1.00 0.00 N ATOM 265 CA ALA A 18 6.242 11.496 42.172 1.00 0.00 C ATOM 266 C ALA A 18 7.481 11.967 42.927 1.00 0.00 C ATOM 267 O ALA A 18 8.606 11.787 42.463 1.00 0.00 O ATOM 268 CB ALA A 18 5.626 12.674 41.414 1.00 0.00 C ATOM 0 H ALA A 18 4.368 11.421 43.115 1.00 0.00 H new ATOM 0 HA ALA A 18 6.535 10.721 41.464 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.363 13.090 40.727 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.758 12.330 40.851 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.317 13.442 42.123 1.00 0.00 H new ATOM 274 N GLU A 19 7.264 12.568 44.092 1.00 0.00 N ATOM 275 CA GLU A 19 8.372 13.062 44.903 1.00 0.00 C ATOM 276 C GLU A 19 9.281 11.908 45.320 1.00 0.00 C ATOM 277 O GLU A 19 10.505 12.027 45.284 1.00 0.00 O ATOM 278 CB GLU A 19 7.832 13.771 46.148 1.00 0.00 C ATOM 279 CG GLU A 19 8.992 14.341 46.967 1.00 0.00 C ATOM 280 CD GLU A 19 8.454 15.111 48.168 1.00 0.00 C ATOM 281 OE1 GLU A 19 7.245 15.169 48.314 1.00 0.00 O ATOM 282 OE2 GLU A 19 9.259 15.629 48.925 1.00 0.00 O1- ATOM 0 H GLU A 19 6.340 12.724 44.494 1.00 0.00 H new ATOM 0 HA GLU A 19 8.951 13.769 44.309 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.154 14.572 45.855 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.256 13.072 46.754 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.642 13.533 47.304 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.598 14.999 46.345 1.00 0.00 H new ATOM 289 N LEU A 20 8.671 10.795 45.714 1.00 0.00 N ATOM 290 CA LEU A 20 9.437 9.626 46.135 1.00 0.00 C ATOM 291 C LEU A 20 10.277 9.097 44.978 1.00 0.00 C ATOM 292 O LEU A 20 11.424 8.690 45.166 1.00 0.00 O ATOM 293 CB LEU A 20 8.488 8.527 46.620 1.00 0.00 C ATOM 294 CG LEU A 20 7.814 8.947 47.937 1.00 0.00 C ATOM 295 CD1 LEU A 20 6.712 7.938 48.276 1.00 0.00 C ATOM 296 CD2 LEU A 20 8.846 8.995 49.084 1.00 0.00 C ATOM 0 H LEU A 20 7.658 10.677 45.751 1.00 0.00 H new ATOM 0 HA LEU A 20 10.099 9.920 46.949 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.730 8.331 45.862 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.040 7.599 46.766 1.00 0.00 H new ATOM 0 HG LEU A 20 7.386 9.942 47.818 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.228 8.227 49.209 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.974 7.922 47.474 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.149 6.946 48.387 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.350 9.294 50.007 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.291 8.009 49.214 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.626 9.716 48.841 1.00 0.00 H new ATOM 308 N LYS A 21 9.701 9.106 43.781 1.00 0.00 N ATOM 309 CA LYS A 21 10.406 8.625 42.599 1.00 0.00 C ATOM 310 C LYS A 21 11.658 9.462 42.356 1.00 0.00 C ATOM 311 O LYS A 21 12.724 8.929 42.050 1.00 0.00 O ATOM 312 CB LYS A 21 9.483 8.700 41.377 1.00 0.00 C ATOM 313 CG LYS A 21 10.186 8.098 40.151 1.00 0.00 C ATOM 314 CD LYS A 21 9.307 8.254 38.901 1.00 0.00 C ATOM 315 CE LYS A 21 8.143 7.257 38.934 1.00 0.00 C ATOM 316 NZ LYS A 21 7.437 7.282 37.621 1.00 0.00 N1+ ATOM 0 H LYS A 21 8.753 9.439 43.604 1.00 0.00 H new ATOM 0 HA LYS A 21 10.702 7.589 42.762 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.557 8.161 41.577 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.212 9.737 41.179 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.144 8.593 39.994 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.397 7.043 40.326 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.920 9.272 38.846 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.907 8.092 38.005 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.514 6.253 39.141 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.452 7.513 39.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.646 6.607 37.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.071 8.239 37.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.101 7.018 36.865 1.00 0.00 H new ATOM 330 N ARG A 22 11.520 10.776 42.498 1.00 0.00 N ATOM 331 CA ARG A 22 12.646 11.680 42.291 1.00 0.00 C ATOM 332 C ARG A 22 13.769 11.366 43.276 1.00 0.00 C ATOM 333 O ARG A 22 14.942 11.333 42.904 1.00 0.00 O ATOM 334 CB ARG A 22 12.191 13.131 42.471 1.00 0.00 C ATOM 335 CG ARG A 22 13.361 14.081 42.198 1.00 0.00 C ATOM 336 CD ARG A 22 12.879 15.528 42.301 1.00 0.00 C ATOM 337 NE ARG A 22 13.987 16.448 42.066 1.00 0.00 N ATOM 338 CZ ARG A 22 13.804 17.763 42.088 1.00 0.00 C ATOM 339 NH1 ARG A 22 14.811 18.565 41.875 1.00 0.00 N1+ ATOM 340 NH2 ARG A 22 12.617 18.253 42.323 1.00 0.00 N ATOM 0 H ARG A 22 10.646 11.236 42.754 1.00 0.00 H new ATOM 0 HA ARG A 22 13.020 11.543 41.276 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.367 13.350 41.792 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.818 13.281 43.484 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.163 13.902 42.914 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.772 13.893 41.206 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.088 15.708 41.573 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.452 15.707 43.288 1.00 0.00 H new ATOM 0 HE ARG A 22 14.918 16.075 41.882 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.738 18.182 41.692 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.671 19.575 41.892 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.830 17.626 42.490 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.476 19.263 42.340 1.00 0.00 H new ATOM 354 N LEU A 23 13.402 11.139 44.533 1.00 0.00 N ATOM 355 CA LEU A 23 14.388 10.830 45.562 1.00 0.00 C ATOM 356 C LEU A 23 15.111 9.528 45.231 1.00 0.00 C ATOM 357 O LEU A 23 16.322 9.413 45.424 1.00 0.00 O ATOM 358 CB LEU A 23 13.701 10.700 46.924 1.00 0.00 C ATOM 359 CG LEU A 23 13.183 12.069 47.392 1.00 0.00 C ATOM 360 CD1 LEU A 23 12.309 11.873 48.634 1.00 0.00 C ATOM 361 CD2 LEU A 23 14.360 13.010 47.727 1.00 0.00 C ATOM 0 H LEU A 23 12.437 11.163 44.862 1.00 0.00 H new ATOM 0 HA LEU A 23 15.115 11.641 45.599 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.873 9.994 46.856 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.402 10.299 47.656 1.00 0.00 H new ATOM 0 HG LEU A 23 12.598 12.522 46.591 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.937 12.840 48.973 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.467 11.226 48.388 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.900 11.414 49.426 1.00 0.00 H new ATOM 0 HD21 LEU A 23 13.973 13.974 48.056 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.963 12.570 48.522 1.00 0.00 H new ATOM 0 HD23 LEU A 23 14.977 13.151 46.840 1.00 0.00 H new ATOM 373 N ASN A 24 14.362 8.551 44.731 1.00 0.00 N ATOM 374 CA ASN A 24 14.946 7.262 44.376 1.00 0.00 C ATOM 375 C ASN A 24 15.999 7.437 43.285 1.00 0.00 C ATOM 376 O ASN A 24 17.060 6.814 43.329 1.00 0.00 O ATOM 377 CB ASN A 24 13.854 6.310 43.887 1.00 0.00 C ATOM 378 CG ASN A 24 14.413 4.898 43.757 1.00 0.00 C ATOM 379 OD1 ASN A 24 15.265 4.492 44.546 1.00 0.00 O ATOM 380 ND2 ASN A 24 13.980 4.121 42.802 1.00 0.00 N ATOM 0 H ASN A 24 13.359 8.625 44.563 1.00 0.00 H new ATOM 0 HA ASN A 24 15.421 6.841 45.262 1.00 0.00 H new ATOM 0 HB2 ASN A 24 13.016 6.316 44.584 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.470 6.648 42.925 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.348 3.174 42.708 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.273 4.460 42.149 1.00 0.00 H new ATOM 387 N GLU A 25 15.695 8.290 42.309 1.00 0.00 N ATOM 388 CA GLU A 25 16.617 8.551 41.203 1.00 0.00 C ATOM 389 C GLU A 25 16.586 10.030 40.830 1.00 0.00 C ATOM 390 O GLU A 25 15.516 10.625 40.702 1.00 0.00 O ATOM 391 CB GLU A 25 16.222 7.705 39.987 1.00 0.00 C ATOM 392 CG GLU A 25 17.230 7.924 38.854 1.00 0.00 C ATOM 393 CD GLU A 25 16.879 7.034 37.668 1.00 0.00 C ATOM 394 OE1 GLU A 25 15.903 6.309 37.765 1.00 0.00 O ATOM 395 OE2 GLU A 25 17.592 7.090 36.679 1.00 0.00 O1- ATOM 0 H GLU A 25 14.820 8.812 42.260 1.00 0.00 H new ATOM 0 HA GLU A 25 17.627 8.285 41.516 1.00 0.00 H new ATOM 0 HB2 GLU A 25 16.192 6.650 40.260 1.00 0.00 H new ATOM 0 HB3 GLU A 25 15.221 7.977 39.653 1.00 0.00 H new ATOM 0 HG2 GLU A 25 17.225 8.970 38.549 1.00 0.00 H new ATOM 0 HG3 GLU A 25 18.238 7.699 39.203 1.00 0.00 H new ATOM 402 N GLU A 26 17.767 10.620 40.660 1.00 0.00 N ATOM 403 CA GLU A 26 17.867 12.034 40.303 1.00 0.00 C ATOM 404 C GLU A 26 17.828 12.204 38.788 1.00 0.00 C ATOM 405 O GLU A 26 18.674 11.669 38.070 1.00 0.00 O ATOM 406 CB GLU A 26 19.172 12.611 40.857 1.00 0.00 C ATOM 407 CG GLU A 26 19.247 14.110 40.554 1.00 0.00 C ATOM 408 CD GLU A 26 20.511 14.700 41.170 1.00 0.00 C ATOM 409 OE1 GLU A 26 21.259 13.949 41.777 1.00 0.00 O ATOM 410 OE2 GLU A 26 20.716 15.894 41.026 1.00 0.00 O1- ATOM 0 H GLU A 26 18.664 10.145 40.763 1.00 0.00 H new ATOM 0 HA GLU A 26 17.021 12.568 40.735 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.226 12.445 41.933 1.00 0.00 H new ATOM 0 HB3 GLU A 26 20.025 12.098 40.412 1.00 0.00 H new ATOM 0 HG2 GLU A 26 19.247 14.273 39.476 1.00 0.00 H new ATOM 0 HG3 GLU A 26 18.367 14.615 40.953 1.00 0.00 H new ATOM 417 N ARG A 27 16.837 12.951 38.307 1.00 0.00 N ATOM 418 CA ARG A 27 16.691 13.186 36.872 1.00 0.00 C ATOM 419 C ARG A 27 17.612 14.310 36.410 1.00 0.00 C ATOM 420 O ARG A 27 17.790 14.527 35.212 1.00 0.00 O ATOM 421 CB ARG A 27 15.240 13.550 36.550 1.00 0.00 C ATOM 422 CG ARG A 27 14.331 12.365 36.880 1.00 0.00 C ATOM 423 CD ARG A 27 12.868 12.796 36.768 1.00 0.00 C ATOM 424 NE ARG A 27 12.557 13.792 37.787 1.00 0.00 N ATOM 425 CZ ARG A 27 11.361 14.371 37.839 1.00 0.00 C ATOM 426 NH1 ARG A 27 11.105 15.259 38.761 1.00 0.00 N1+ ATOM 427 NH2 ARG A 27 10.442 14.052 36.969 1.00 0.00 N ATOM 0 H ARG A 27 16.127 13.401 38.885 1.00 0.00 H new ATOM 0 HA ARG A 27 16.965 12.272 36.346 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.937 14.425 37.125 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.145 13.812 35.496 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.531 11.539 36.198 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.538 12.004 37.887 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.677 13.207 35.777 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.216 11.930 36.884 1.00 0.00 H new ATOM 0 HE ARG A 27 13.269 14.049 38.471 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.822 15.509 39.442 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.188 15.703 38.801 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.641 13.358 36.248 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.525 14.497 37.010 1.00 0.00 H new ATOM 441 N HIS A 28 18.195 15.025 37.368 1.00 0.00 N ATOM 442 CA HIS A 28 19.094 16.128 37.045 1.00 0.00 C ATOM 443 C HIS A 28 20.487 15.602 36.707 1.00 0.00 C ATOM 444 O HIS A 28 21.333 16.339 36.204 1.00 0.00 O ATOM 445 CB HIS A 28 19.185 17.093 38.229 1.00 0.00 C ATOM 446 CG HIS A 28 17.827 17.673 38.506 1.00 0.00 C ATOM 447 ND1 HIS A 28 17.228 18.593 37.660 1.00 0.00 N ATOM 448 CD2 HIS A 28 16.937 17.475 39.534 1.00 0.00 C ATOM 449 CE1 HIS A 28 16.031 18.912 38.187 1.00 0.00 C ATOM 450 NE2 HIS A 28 15.805 18.259 39.328 1.00 0.00 N ATOM 0 H HIS A 28 18.063 14.862 38.366 1.00 0.00 H new ATOM 0 HA HIS A 28 18.695 16.654 36.178 1.00 0.00 H new ATOM 0 HB2 HIS A 28 19.556 16.570 39.111 1.00 0.00 H new ATOM 0 HB3 HIS A 28 19.895 17.890 38.009 1.00 0.00 H new ATOM 0 HD1 HIS A 28 17.623 18.962 36.795 1.00 0.00 H new ATOM 0 HD2 HIS A 28 17.092 16.813 40.373 1.00 0.00 H new ATOM 0 HE1 HIS A 28 15.339 19.611 37.741 1.00 0.00 H new ATOM 458 N ASP A 29 20.714 14.321 36.985 1.00 0.00 N ATOM 459 CA ASP A 29 22.007 13.711 36.702 1.00 0.00 C ATOM 460 C ASP A 29 22.302 13.759 35.206 1.00 0.00 C ATOM 461 O ASP A 29 23.436 14.007 34.795 1.00 0.00 O ATOM 462 CB ASP A 29 22.016 12.256 37.177 1.00 0.00 C ATOM 463 CG ASP A 29 22.047 12.205 38.701 1.00 0.00 C ATOM 464 OD1 ASP A 29 22.299 13.236 39.304 1.00 0.00 O ATOM 465 OD2 ASP A 29 21.820 11.137 39.243 1.00 0.00 O1- ATOM 0 H ASP A 29 20.027 13.692 37.401 1.00 0.00 H new ATOM 0 HA ASP A 29 22.776 14.271 37.234 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.132 11.738 36.806 1.00 0.00 H new ATOM 0 HB3 ASP A 29 22.884 11.737 36.770 1.00 0.00 H new ATOM 470 N HIS A 30 21.275 13.521 34.397 1.00 0.00 N ATOM 471 CA HIS A 30 21.437 13.543 32.948 1.00 0.00 C ATOM 472 C HIS A 30 21.835 14.937 32.477 1.00 0.00 C ATOM 473 O HIS A 30 22.673 15.087 31.585 1.00 0.00 O ATOM 474 CB HIS A 30 20.129 13.128 32.270 1.00 0.00 C ATOM 475 CG HIS A 30 19.904 11.653 32.466 1.00 0.00 C ATOM 476 ND1 HIS A 30 19.383 11.136 33.641 1.00 0.00 N ATOM 477 CD2 HIS A 30 20.125 10.573 31.648 1.00 0.00 C ATOM 478 CE1 HIS A 30 19.308 9.799 33.499 1.00 0.00 C ATOM 479 NE2 HIS A 30 19.747 9.405 32.302 1.00 0.00 N ATOM 0 H HIS A 30 20.329 13.312 34.717 1.00 0.00 H new ATOM 0 HA HIS A 30 22.225 12.840 32.678 1.00 0.00 H new ATOM 0 HB2 HIS A 30 19.296 13.692 32.689 1.00 0.00 H new ATOM 0 HB3 HIS A 30 20.169 13.362 31.206 1.00 0.00 H new ATOM 0 HD2 HIS A 30 20.531 10.623 30.648 1.00 0.00 H new ATOM 0 HE1 HIS A 30 18.938 9.128 34.260 1.00 0.00 H new ATOM 0 HE2 HIS A 30 19.795 8.451 31.943 1.00 0.00 H new ATOM 487 N ASP A 31 21.233 15.956 33.082 1.00 0.00 N ATOM 488 CA ASP A 31 21.534 17.336 32.719 1.00 0.00 C ATOM 489 C ASP A 31 23.001 17.652 32.986 1.00 0.00 C ATOM 490 O ASP A 31 23.651 18.346 32.205 1.00 0.00 O ATOM 491 CB ASP A 31 20.648 18.292 33.520 1.00 0.00 C ATOM 492 CG ASP A 31 19.208 18.208 33.027 1.00 0.00 C ATOM 493 OD1 ASP A 31 18.998 17.639 31.968 1.00 0.00 O ATOM 494 OD2 ASP A 31 18.337 18.716 33.712 1.00 0.00 O1- ATOM 0 H ASP A 31 20.538 15.853 33.821 1.00 0.00 H new ATOM 0 HA ASP A 31 21.335 17.464 31.655 1.00 0.00 H new ATOM 0 HB2 ASP A 31 20.693 18.040 34.580 1.00 0.00 H new ATOM 0 HB3 ASP A 31 21.016 19.313 33.419 1.00 0.00 H new ATOM 499 N LYS A 32 23.517 17.138 34.098 1.00 0.00 N ATOM 500 CA LYS A 32 24.909 17.372 34.464 1.00 0.00 C ATOM 501 C LYS A 32 25.839 16.818 33.388 1.00 0.00 C ATOM 502 O LYS A 32 26.810 17.469 33.001 1.00 0.00 O ATOM 503 CB LYS A 32 25.212 16.703 35.809 1.00 0.00 C ATOM 504 CG LYS A 32 26.662 16.982 36.217 1.00 0.00 C ATOM 505 CD LYS A 32 26.940 16.341 37.579 1.00 0.00 C ATOM 506 CE LYS A 32 28.390 16.611 37.985 1.00 0.00 C ATOM 507 NZ LYS A 32 28.656 15.996 39.317 1.00 0.00 N1+ ATOM 0 H LYS A 32 22.996 16.560 34.758 1.00 0.00 H new ATOM 0 HA LYS A 32 25.074 18.446 34.552 1.00 0.00 H new ATOM 0 HB2 LYS A 32 24.532 17.079 36.573 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.046 15.628 35.736 1.00 0.00 H new ATOM 0 HG2 LYS A 32 27.345 16.582 35.468 1.00 0.00 H new ATOM 0 HG3 LYS A 32 26.837 18.057 36.266 1.00 0.00 H new ATOM 0 HD2 LYS A 32 26.260 16.746 38.329 1.00 0.00 H new ATOM 0 HD3 LYS A 32 26.759 15.267 37.531 1.00 0.00 H new ATOM 0 HE2 LYS A 32 29.070 16.199 37.240 1.00 0.00 H new ATOM 0 HE3 LYS A 32 28.574 17.685 38.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 29.642 16.179 39.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 28.015 16.409 40.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 28.497 14.970 39.264 1.00 0.00 H new ATOM 521 N ARG A 33 25.533 15.618 32.909 1.00 0.00 N ATOM 522 CA ARG A 33 26.351 14.991 31.873 1.00 0.00 C ATOM 523 C ARG A 33 26.315 15.818 30.591 1.00 0.00 C ATOM 524 O ARG A 33 27.331 15.973 29.913 1.00 0.00 O ATOM 525 CB ARG A 33 25.856 13.570 31.583 1.00 0.00 C ATOM 526 CG ARG A 33 26.192 12.647 32.760 1.00 0.00 C ATOM 527 CD ARG A 33 25.673 11.239 32.467 1.00 0.00 C ATOM 528 NE ARG A 33 25.994 10.343 33.572 1.00 0.00 N ATOM 529 CZ ARG A 33 25.645 9.061 33.540 1.00 0.00 C ATOM 530 NH1 ARG A 33 25.942 8.279 34.541 1.00 0.00 N1+ ATOM 531 NH2 ARG A 33 25.003 8.585 32.508 1.00 0.00 N ATOM 0 H ARG A 33 24.734 15.063 33.216 1.00 0.00 H new ATOM 0 HA ARG A 33 27.378 14.941 32.236 1.00 0.00 H new ATOM 0 HB2 ARG A 33 24.779 13.579 31.413 1.00 0.00 H new ATOM 0 HB3 ARG A 33 26.320 13.194 30.671 1.00 0.00 H new ATOM 0 HG2 ARG A 33 27.270 12.623 32.921 1.00 0.00 H new ATOM 0 HG3 ARG A 33 25.741 13.029 33.676 1.00 0.00 H new ATOM 0 HD2 ARG A 33 24.594 11.266 32.313 1.00 0.00 H new ATOM 0 HD3 ARG A 33 26.117 10.864 31.545 1.00 0.00 H new ATOM 0 HE ARG A 33 26.495 10.706 34.383 1.00 0.00 H new ATOM 0 HH11 ARG A 33 26.442 8.651 35.348 1.00 0.00 H new ATOM 0 HH12 ARG A 33 25.674 7.295 34.516 1.00 0.00 H new ATOM 0 HH21 ARG A 33 24.769 9.197 31.726 1.00 0.00 H new ATOM 0 HH22 ARG A 33 24.735 7.601 32.483 1.00 0.00 H new ATOM 545 N GLU A 34 25.142 16.349 30.266 1.00 0.00 N ATOM 546 CA GLU A 34 24.987 17.158 29.064 1.00 0.00 C ATOM 547 C GLU A 34 25.868 18.401 29.144 1.00 0.00 C ATOM 548 O GLU A 34 26.520 18.777 28.170 1.00 0.00 O ATOM 549 CB GLU A 34 23.521 17.570 28.898 1.00 0.00 C ATOM 550 CG GLU A 34 23.350 18.372 27.605 1.00 0.00 C ATOM 551 CD GLU A 34 21.879 18.721 27.400 1.00 0.00 C ATOM 552 OE1 GLU A 34 21.080 18.340 28.238 1.00 0.00 O ATOM 553 OE2 GLU A 34 21.575 19.360 26.407 1.00 0.00 O1- ATOM 0 H GLU A 34 24.290 16.235 30.814 1.00 0.00 H new ATOM 0 HA GLU A 34 25.293 16.565 28.202 1.00 0.00 H new ATOM 0 HB2 GLU A 34 22.886 16.685 28.874 1.00 0.00 H new ATOM 0 HB3 GLU A 34 23.203 18.168 29.752 1.00 0.00 H new ATOM 0 HG2 GLU A 34 23.946 19.284 27.651 1.00 0.00 H new ATOM 0 HG3 GLU A 34 23.717 17.794 26.757 1.00 0.00 H new ATOM 560 N ALA A 35 25.886 19.028 30.315 1.00 0.00 N ATOM 561 CA ALA A 35 26.695 20.223 30.518 1.00 0.00 C ATOM 562 C ALA A 35 28.173 19.909 30.317 1.00 0.00 C ATOM 563 O ALA A 35 28.921 20.712 29.760 1.00 0.00 O ATOM 564 CB ALA A 35 26.474 20.768 31.931 1.00 0.00 C ATOM 0 H ALA A 35 25.353 18.731 31.133 1.00 0.00 H new ATOM 0 HA ALA A 35 26.392 20.973 29.788 1.00 0.00 H new ATOM 0 HB1 ALA A 35 27.082 21.661 32.076 1.00 0.00 H new ATOM 0 HB2 ALA A 35 25.422 21.020 32.063 1.00 0.00 H new ATOM 0 HB3 ALA A 35 26.761 20.012 32.662 1.00 0.00 H new ATOM 570 N GLU A 36 28.588 18.736 30.785 1.00 0.00 N ATOM 571 CA GLU A 36 29.981 18.321 30.666 1.00 0.00 C ATOM 572 C GLU A 36 30.396 18.240 29.197 1.00 0.00 C ATOM 573 O GLU A 36 31.491 18.668 28.832 1.00 0.00 O ATOM 574 CB GLU A 36 30.173 16.957 31.342 1.00 0.00 C ATOM 575 CG GLU A 36 31.643 16.521 31.259 1.00 0.00 C ATOM 576 CD GLU A 36 32.530 17.508 32.009 1.00 0.00 C ATOM 577 OE1 GLU A 36 32.010 18.218 32.855 1.00 0.00 O ATOM 578 OE2 GLU A 36 33.716 17.541 31.728 1.00 0.00 O1- ATOM 0 H GLU A 36 27.982 18.059 31.248 1.00 0.00 H new ATOM 0 HA GLU A 36 30.610 19.061 31.160 1.00 0.00 H new ATOM 0 HB2 GLU A 36 29.862 17.014 32.385 1.00 0.00 H new ATOM 0 HB3 GLU A 36 29.539 16.213 30.861 1.00 0.00 H new ATOM 0 HG2 GLU A 36 31.758 15.523 31.683 1.00 0.00 H new ATOM 0 HG3 GLU A 36 31.954 16.462 30.216 1.00 0.00 H new ATOM 585 N ARG A 37 29.525 17.686 28.359 1.00 0.00 N ATOM 586 CA ARG A 37 29.839 17.559 26.938 1.00 0.00 C ATOM 587 C ARG A 37 30.028 18.935 26.305 1.00 0.00 C ATOM 588 O ARG A 37 30.925 19.127 25.484 1.00 0.00 O ATOM 589 CB ARG A 37 28.722 16.804 26.208 1.00 0.00 C ATOM 590 CG ARG A 37 28.733 15.328 26.621 1.00 0.00 C ATOM 591 CD ARG A 37 27.806 14.531 25.700 1.00 0.00 C ATOM 592 NE ARG A 37 26.416 14.945 25.880 1.00 0.00 N ATOM 593 CZ ARG A 37 25.640 14.386 26.806 1.00 0.00 C ATOM 594 NH1 ARG A 37 24.395 14.756 26.924 1.00 0.00 N1+ ATOM 595 NH2 ARG A 37 26.126 13.468 27.597 1.00 0.00 N ATOM 0 H ARG A 37 28.611 17.323 28.631 1.00 0.00 H new ATOM 0 HA ARG A 37 30.768 16.997 26.845 1.00 0.00 H new ATOM 0 HB2 ARG A 37 27.756 17.249 26.444 1.00 0.00 H new ATOM 0 HB3 ARG A 37 28.858 16.890 25.130 1.00 0.00 H new ATOM 0 HG2 ARG A 37 29.747 14.932 26.565 1.00 0.00 H new ATOM 0 HG3 ARG A 37 28.408 15.227 27.657 1.00 0.00 H new ATOM 0 HD2 ARG A 37 28.103 14.678 24.662 1.00 0.00 H new ATOM 0 HD3 ARG A 37 27.903 13.466 25.911 1.00 0.00 H new ATOM 0 HE ARG A 37 26.032 15.678 25.283 1.00 0.00 H new ATOM 0 HH11 ARG A 37 24.016 15.474 26.307 1.00 0.00 H new ATOM 0 HH12 ARG A 37 23.801 14.327 27.634 1.00 0.00 H new ATOM 0 HH21 ARG A 37 27.100 13.179 27.505 1.00 0.00 H new ATOM 0 HH22 ARG A 37 25.532 13.040 28.307 1.00 0.00 H new ATOM 609 N LYS A 38 29.188 19.888 26.694 1.00 0.00 N ATOM 610 CA LYS A 38 29.289 21.240 26.155 1.00 0.00 C ATOM 611 C LYS A 38 30.625 21.870 26.535 1.00 0.00 C ATOM 612 O LYS A 38 31.243 22.570 25.732 1.00 0.00 O ATOM 613 CB LYS A 38 28.144 22.109 26.681 1.00 0.00 C ATOM 614 CG LYS A 38 26.826 21.656 26.048 1.00 0.00 C ATOM 615 CD LYS A 38 25.684 22.528 26.571 1.00 0.00 C ATOM 616 CE LYS A 38 24.368 22.089 25.925 1.00 0.00 C ATOM 617 NZ LYS A 38 23.254 22.933 26.441 1.00 0.00 N1+ ATOM 0 H LYS A 38 28.438 19.753 27.372 1.00 0.00 H new ATOM 0 HA LYS A 38 29.223 21.179 25.069 1.00 0.00 H new ATOM 0 HB2 LYS A 38 28.084 22.031 27.767 1.00 0.00 H new ATOM 0 HB3 LYS A 38 28.331 23.157 26.446 1.00 0.00 H new ATOM 0 HG2 LYS A 38 26.887 21.731 24.962 1.00 0.00 H new ATOM 0 HG3 LYS A 38 26.637 20.609 26.286 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.615 22.443 27.655 1.00 0.00 H new ATOM 0 HD3 LYS A 38 25.880 23.576 26.345 1.00 0.00 H new ATOM 0 HE2 LYS A 38 24.435 22.180 24.841 1.00 0.00 H new ATOM 0 HE3 LYS A 38 24.175 21.039 26.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 22.360 22.634 26.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 23.186 22.825 27.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 23.438 23.930 26.209 1.00 0.00 H new ATOM 631 N ALA A 39 31.064 21.619 27.764 1.00 0.00 N ATOM 632 CA ALA A 39 32.327 22.169 28.241 1.00 0.00 C ATOM 633 C ALA A 39 33.488 21.668 27.388 1.00 0.00 C ATOM 634 O ALA A 39 34.410 22.422 27.071 1.00 0.00 O ATOM 635 CB ALA A 39 32.554 21.770 29.700 1.00 0.00 C ATOM 0 H ALA A 39 30.568 21.042 28.443 1.00 0.00 H new ATOM 0 HA ALA A 39 32.278 23.255 28.165 1.00 0.00 H new ATOM 0 HB1 ALA A 39 33.500 22.185 30.048 1.00 0.00 H new ATOM 0 HB2 ALA A 39 31.740 22.157 30.314 1.00 0.00 H new ATOM 0 HB3 ALA A 39 32.584 20.683 29.780 1.00 0.00 H new ATOM 641 N LEU A 40 33.440 20.393 27.017 1.00 0.00 N ATOM 642 CA LEU A 40 34.495 19.805 26.200 1.00 0.00 C ATOM 643 C LEU A 40 34.559 20.495 24.841 1.00 0.00 C ATOM 644 O LEU A 40 35.641 20.744 24.311 1.00 0.00 O ATOM 645 CB LEU A 40 34.233 18.309 26.001 1.00 0.00 C ATOM 646 CG LEU A 40 34.412 17.555 27.330 1.00 0.00 C ATOM 647 CD1 LEU A 40 33.929 16.113 27.152 1.00 0.00 C ATOM 648 CD2 LEU A 40 35.896 17.557 27.757 1.00 0.00 C ATOM 0 H LEU A 40 32.688 19.751 27.267 1.00 0.00 H new ATOM 0 HA LEU A 40 35.447 19.940 26.714 1.00 0.00 H new ATOM 0 HB2 LEU A 40 33.222 18.157 25.622 1.00 0.00 H new ATOM 0 HB3 LEU A 40 34.918 17.909 25.253 1.00 0.00 H new ATOM 0 HG LEU A 40 33.829 18.051 28.106 1.00 0.00 H new ATOM 0 HD11 LEU A 40 34.052 15.570 28.089 1.00 0.00 H new ATOM 0 HD12 LEU A 40 32.877 16.114 26.869 1.00 0.00 H new ATOM 0 HD13 LEU A 40 34.514 15.627 26.372 1.00 0.00 H new ATOM 0 HD21 LEU A 40 36.004 17.019 28.699 1.00 0.00 H new ATOM 0 HD22 LEU A 40 36.496 17.069 26.989 1.00 0.00 H new ATOM 0 HD23 LEU A 40 36.237 18.585 27.884 1.00 0.00 H new ATOM 660 N GLU A 41 33.392 20.803 24.284 1.00 0.00 N ATOM 661 CA GLU A 41 33.327 21.466 22.987 1.00 0.00 C ATOM 662 C GLU A 41 34.000 22.833 23.065 1.00 0.00 C ATOM 663 O GLU A 41 34.734 23.226 22.158 1.00 0.00 O ATOM 664 CB GLU A 41 31.862 21.623 22.559 1.00 0.00 C ATOM 665 CG GLU A 41 31.778 22.290 21.179 1.00 0.00 C ATOM 666 CD GLU A 41 32.446 21.410 20.129 1.00 0.00 C ATOM 667 OE1 GLU A 41 32.585 20.223 20.378 1.00 0.00 O ATOM 668 OE2 GLU A 41 32.811 21.935 19.088 1.00 0.00 O1- ATOM 0 H GLU A 41 32.485 20.606 24.707 1.00 0.00 H new ATOM 0 HA GLU A 41 33.851 20.859 22.248 1.00 0.00 H new ATOM 0 HB2 GLU A 41 31.378 20.647 22.528 1.00 0.00 H new ATOM 0 HB3 GLU A 41 31.324 22.222 23.293 1.00 0.00 H new ATOM 0 HG2 GLU A 41 30.735 22.460 20.912 1.00 0.00 H new ATOM 0 HG3 GLU A 41 32.263 23.266 21.208 1.00 0.00 H new ATOM 675 N ASP A 42 33.741 23.552 24.152 1.00 0.00 N ATOM 676 CA ASP A 42 34.324 24.876 24.339 1.00 0.00 C ATOM 677 C ASP A 42 35.847 24.789 24.385 1.00 0.00 C ATOM 678 O ASP A 42 36.544 25.646 23.841 1.00 0.00 O ATOM 679 CB ASP A 42 33.808 25.496 25.638 1.00 0.00 C ATOM 680 CG ASP A 42 32.341 25.885 25.484 1.00 0.00 C ATOM 681 OD1 ASP A 42 31.869 25.901 24.359 1.00 0.00 O ATOM 682 OD2 ASP A 42 31.712 26.162 26.492 1.00 0.00 O1- ATOM 0 H ASP A 42 33.135 23.243 24.912 1.00 0.00 H new ATOM 0 HA ASP A 42 34.032 25.503 23.497 1.00 0.00 H new ATOM 0 HB2 ASP A 42 33.921 24.787 26.459 1.00 0.00 H new ATOM 0 HB3 ASP A 42 34.401 26.375 25.892 1.00 0.00 H new ATOM 687 N LYS A 43 36.356 23.751 25.040 1.00 0.00 N ATOM 688 CA LYS A 43 37.800 23.564 25.151 1.00 0.00 C ATOM 689 C LYS A 43 38.422 23.425 23.765 1.00 0.00 C ATOM 690 O LYS A 43 39.451 24.027 23.473 1.00 0.00 O ATOM 691 CB LYS A 43 38.093 22.313 25.996 1.00 0.00 C ATOM 692 CG LYS A 43 39.607 22.046 26.118 1.00 0.00 C ATOM 693 CD LYS A 43 40.296 23.159 26.919 1.00 0.00 C ATOM 694 CE LYS A 43 41.732 22.739 27.236 1.00 0.00 C ATOM 695 NZ LYS A 43 42.407 23.818 28.010 1.00 0.00 N1+ ATOM 0 H LYS A 43 35.797 23.032 25.499 1.00 0.00 H new ATOM 0 HA LYS A 43 38.238 24.435 25.639 1.00 0.00 H new ATOM 0 HB2 LYS A 43 37.665 22.438 26.991 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.606 21.448 25.545 1.00 0.00 H new ATOM 0 HG2 LYS A 43 39.773 21.085 26.606 1.00 0.00 H new ATOM 0 HG3 LYS A 43 40.050 21.980 25.124 1.00 0.00 H new ATOM 0 HD2 LYS A 43 40.294 24.088 26.349 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.749 23.351 27.842 1.00 0.00 H new ATOM 0 HE2 LYS A 43 41.733 21.811 27.809 1.00 0.00 H new ATOM 0 HE3 LYS A 43 42.277 22.544 26.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 43.383 23.532 28.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 42.418 24.693 27.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 41.891 23.983 28.898 1.00 0.00 H new ATOM 709 N LEU A 44 37.788 22.626 22.914 1.00 0.00 N ATOM 710 CA LEU A 44 38.288 22.416 21.560 1.00 0.00 C ATOM 711 C LEU A 44 38.284 23.730 20.781 1.00 0.00 C ATOM 712 O LEU A 44 39.228 24.035 20.052 1.00 0.00 O ATOM 713 CB LEU A 44 37.417 21.376 20.843 1.00 0.00 C ATOM 714 CG LEU A 44 37.922 21.138 19.410 1.00 0.00 C ATOM 715 CD1 LEU A 44 39.369 20.617 19.435 1.00 0.00 C ATOM 716 CD2 LEU A 44 37.016 20.106 18.732 1.00 0.00 C ATOM 0 H LEU A 44 36.933 22.116 23.135 1.00 0.00 H new ATOM 0 HA LEU A 44 39.313 22.050 21.615 1.00 0.00 H new ATOM 0 HB2 LEU A 44 37.430 20.438 21.399 1.00 0.00 H new ATOM 0 HB3 LEU A 44 36.382 21.717 20.817 1.00 0.00 H new ATOM 0 HG LEU A 44 37.899 22.077 18.857 1.00 0.00 H new ATOM 0 HD11 LEU A 44 39.714 20.453 18.414 1.00 0.00 H new ATOM 0 HD12 LEU A 44 40.012 21.351 19.922 1.00 0.00 H new ATOM 0 HD13 LEU A 44 39.408 19.678 19.987 1.00 0.00 H new ATOM 0 HD21 LEU A 44 37.364 19.929 17.714 1.00 0.00 H new ATOM 0 HD22 LEU A 44 37.045 19.172 19.293 1.00 0.00 H new ATOM 0 HD23 LEU A 44 35.993 20.482 18.705 1.00 0.00 H new ATOM 728 N ALA A 45 37.207 24.496 20.933 1.00 0.00 N ATOM 729 CA ALA A 45 37.072 25.773 20.234 1.00 0.00 C ATOM 730 C ALA A 45 37.764 26.899 20.998 1.00 0.00 C ATOM 731 O ALA A 45 37.428 28.070 20.824 1.00 0.00 O ATOM 732 CB ALA A 45 35.590 26.112 20.061 1.00 0.00 C ATOM 0 H ALA A 45 36.417 24.257 21.532 1.00 0.00 H new ATOM 0 HA ALA A 45 37.549 25.676 19.259 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.493 27.064 19.540 1.00 0.00 H new ATOM 0 HB2 ALA A 45 35.103 25.329 19.480 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.117 26.185 21.040 1.00 0.00 H new ATOM 738 N ASP A 46 38.727 26.544 21.843 1.00 0.00 N ATOM 739 CA ASP A 46 39.448 27.546 22.623 1.00 0.00 C ATOM 740 C ASP A 46 40.521 28.220 21.773 1.00 0.00 C ATOM 741 O ASP A 46 41.253 29.085 22.252 1.00 0.00 O ATOM 742 CB ASP A 46 40.101 26.896 23.847 1.00 0.00 C ATOM 743 CG ASP A 46 41.214 25.947 23.411 1.00 0.00 C ATOM 744 OD1 ASP A 46 41.424 25.814 22.217 1.00 0.00 O ATOM 745 OD2 ASP A 46 41.841 25.366 24.283 1.00 0.00 O1- ATOM 0 H ASP A 46 39.024 25.582 22.005 1.00 0.00 H new ATOM 0 HA ASP A 46 38.732 28.299 22.952 1.00 0.00 H new ATOM 0 HB2 ASP A 46 40.506 27.666 24.503 1.00 0.00 H new ATOM 0 HB3 ASP A 46 39.352 26.350 24.421 1.00 0.00 H new ATOM 750 N LYS A 47 40.608 27.815 20.510 1.00 0.00 N ATOM 751 CA LYS A 47 41.596 28.387 19.602 1.00 0.00 C ATOM 752 C LYS A 47 41.228 29.824 19.247 1.00 0.00 C ATOM 753 O LYS A 47 40.050 30.159 19.115 1.00 0.00 O ATOM 754 CB LYS A 47 41.677 27.550 18.325 1.00 0.00 C ATOM 755 CG LYS A 47 42.238 26.165 18.655 1.00 0.00 C ATOM 756 CD LYS A 47 42.319 25.329 17.376 1.00 0.00 C ATOM 757 CE LYS A 47 42.883 23.945 17.706 1.00 0.00 C ATOM 758 NZ LYS A 47 42.954 23.128 16.461 1.00 0.00 N1+ ATOM 0 H LYS A 47 40.012 27.099 20.095 1.00 0.00 H new ATOM 0 HA LYS A 47 42.565 28.384 20.101 1.00 0.00 H new ATOM 0 HB2 LYS A 47 40.688 27.456 17.876 1.00 0.00 H new ATOM 0 HB3 LYS A 47 42.313 28.046 17.592 1.00 0.00 H new ATOM 0 HG2 LYS A 47 43.227 26.259 19.104 1.00 0.00 H new ATOM 0 HG3 LYS A 47 41.601 25.668 19.387 1.00 0.00 H new ATOM 0 HD2 LYS A 47 41.330 25.233 16.928 1.00 0.00 H new ATOM 0 HD3 LYS A 47 42.954 25.827 16.643 1.00 0.00 H new ATOM 0 HE2 LYS A 47 43.875 24.041 18.148 1.00 0.00 H new ATOM 0 HE3 LYS A 47 42.252 23.449 18.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 43.337 22.187 16.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 42.001 23.027 16.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 43.574 23.599 15.771 1.00 0.00 H new ATOM 772 N GLN A 48 42.242 30.670 19.097 1.00 0.00 N ATOM 773 CA GLN A 48 42.013 32.068 18.758 1.00 0.00 C ATOM 774 C GLN A 48 41.374 32.201 17.377 1.00 0.00 C ATOM 775 O GLN A 48 40.724 33.201 17.076 1.00 0.00 O ATOM 776 CB GLN A 48 43.337 32.853 18.813 1.00 0.00 C ATOM 777 CG GLN A 48 44.369 32.271 17.814 1.00 0.00 C ATOM 778 CD GLN A 48 45.246 31.220 18.497 1.00 0.00 C ATOM 779 OE1 GLN A 48 44.788 30.510 19.391 1.00 0.00 O ATOM 780 NE2 GLN A 48 46.488 31.079 18.123 1.00 0.00 N ATOM 0 H GLN A 48 43.223 30.414 19.204 1.00 0.00 H new ATOM 0 HA GLN A 48 41.323 32.486 19.491 1.00 0.00 H new ATOM 0 HB2 GLN A 48 43.152 33.902 18.581 1.00 0.00 H new ATOM 0 HB3 GLN A 48 43.744 32.817 19.824 1.00 0.00 H new ATOM 0 HG2 GLN A 48 43.850 31.824 16.966 1.00 0.00 H new ATOM 0 HG3 GLN A 48 44.993 33.073 17.419 1.00 0.00 H new ATOM 0 HE21 GLN A 48 46.867 31.668 17.382 1.00 0.00 H new ATOM 0 HE22 GLN A 48 47.080 30.380 18.572 1.00 0.00 H new ATOM 789 N GLU A 49 41.559 31.182 16.546 1.00 0.00 N ATOM 790 CA GLU A 49 40.996 31.192 15.200 1.00 0.00 C ATOM 791 C GLU A 49 41.440 32.436 14.436 1.00 0.00 C ATOM 792 O GLU A 49 40.655 33.035 13.698 1.00 0.00 O ATOM 793 CB GLU A 49 39.468 31.150 15.272 1.00 0.00 C ATOM 794 CG GLU A 49 39.021 29.817 15.873 1.00 0.00 C ATOM 795 CD GLU A 49 37.501 29.780 15.985 1.00 0.00 C ATOM 796 OE1 GLU A 49 36.881 30.796 15.719 1.00 0.00 O ATOM 797 OE2 GLU A 49 36.978 28.734 16.333 1.00 0.00 O1- ATOM 0 H GLU A 49 42.091 30.343 16.778 1.00 0.00 H new ATOM 0 HA GLU A 49 41.359 30.311 14.671 1.00 0.00 H new ATOM 0 HB2 GLU A 49 39.099 31.977 15.879 1.00 0.00 H new ATOM 0 HB3 GLU A 49 39.043 31.272 14.276 1.00 0.00 H new ATOM 0 HG2 GLU A 49 39.368 28.993 15.250 1.00 0.00 H new ATOM 0 HG3 GLU A 49 39.470 29.683 16.857 1.00 0.00 H new ATOM 804 N HIS A 50 42.703 32.814 14.605 1.00 0.00 N ATOM 805 CA HIS A 50 43.243 33.980 13.916 1.00 0.00 C ATOM 806 C HIS A 50 42.332 35.194 14.090 1.00 0.00 C ATOM 807 O HIS A 50 41.480 35.466 13.245 1.00 0.00 O ATOM 808 CB HIS A 50 43.403 33.668 12.429 1.00 0.00 C ATOM 809 CG HIS A 50 44.220 34.747 11.772 1.00 0.00 C ATOM 810 ND1 HIS A 50 43.670 35.957 11.384 1.00 0.00 N ATOM 811 CD2 HIS A 50 45.549 34.812 11.431 1.00 0.00 C ATOM 812 CE1 HIS A 50 44.653 36.694 10.834 1.00 0.00 C ATOM 813 NE2 HIS A 50 45.819 36.042 10.840 1.00 0.00 N ATOM 0 H HIS A 50 43.368 32.333 15.210 1.00 0.00 H new ATOM 0 HA HIS A 50 44.214 34.216 14.352 1.00 0.00 H new ATOM 0 HB2 HIS A 50 43.889 32.701 12.300 1.00 0.00 H new ATOM 0 HB3 HIS A 50 42.424 33.599 11.954 1.00 0.00 H new ATOM 0 HD1 HIS A 50 42.696 36.239 11.495 1.00 0.00 H new ATOM 0 HD2 HIS A 50 46.273 34.028 11.596 1.00 0.00 H new ATOM 0 HE1 HIS A 50 44.516 37.689 10.437 1.00 0.00 H new ATOM 821 N LEU A 51 42.524 35.924 15.187 1.00 0.00 N ATOM 822 CA LEU A 51 41.717 37.116 15.456 1.00 0.00 C ATOM 823 C LEU A 51 42.318 38.328 14.740 1.00 0.00 C ATOM 824 O LEU A 51 43.203 38.179 13.897 1.00 0.00 O ATOM 825 CB LEU A 51 41.651 37.400 16.962 1.00 0.00 C ATOM 826 CG LEU A 51 41.023 36.214 17.709 1.00 0.00 C ATOM 827 CD1 LEU A 51 41.026 36.514 19.212 1.00 0.00 C ATOM 828 CD2 LEU A 51 39.577 35.989 17.230 1.00 0.00 C ATOM 0 H LEU A 51 43.224 35.715 15.899 1.00 0.00 H new ATOM 0 HA LEU A 51 40.708 36.933 15.086 1.00 0.00 H new ATOM 0 HB2 LEU A 51 42.653 37.589 17.346 1.00 0.00 H new ATOM 0 HB3 LEU A 51 41.065 38.301 17.142 1.00 0.00 H new ATOM 0 HG LEU A 51 41.602 35.313 17.508 1.00 0.00 H new ATOM 0 HD11 LEU A 51 40.582 35.677 19.751 1.00 0.00 H new ATOM 0 HD12 LEU A 51 42.051 36.661 19.552 1.00 0.00 H new ATOM 0 HD13 LEU A 51 40.447 37.417 19.404 1.00 0.00 H new ATOM 0 HD21 LEU A 51 39.143 35.146 17.767 1.00 0.00 H new ATOM 0 HD22 LEU A 51 38.986 36.885 17.423 1.00 0.00 H new ATOM 0 HD23 LEU A 51 39.577 35.777 16.161 1.00 0.00 H new ATOM 840 N ASP A 52 41.835 39.530 15.074 1.00 0.00 N ATOM 841 CA ASP A 52 42.340 40.750 14.448 1.00 0.00 C ATOM 842 C ASP A 52 43.531 41.303 15.227 1.00 0.00 C ATOM 843 O ASP A 52 44.026 42.391 14.930 1.00 0.00 O ATOM 844 CB ASP A 52 41.231 41.802 14.384 1.00 0.00 C ATOM 845 CG ASP A 52 40.808 42.204 15.794 1.00 0.00 C ATOM 846 OD1 ASP A 52 41.356 41.655 16.734 1.00 0.00 O ATOM 847 OD2 ASP A 52 39.941 43.054 15.910 1.00 0.00 O1- ATOM 0 H ASP A 52 41.102 39.680 15.768 1.00 0.00 H new ATOM 0 HA ASP A 52 42.667 40.508 13.437 1.00 0.00 H new ATOM 0 HB2 ASP A 52 41.581 42.678 13.837 1.00 0.00 H new ATOM 0 HB3 ASP A 52 40.375 41.406 13.838 1.00 0.00 H new ATOM 852 N GLY A 53 43.986 40.547 16.222 1.00 0.00 N ATOM 853 CA GLY A 53 45.124 40.969 17.035 1.00 0.00 C ATOM 854 C GLY A 53 44.687 41.933 18.134 1.00 0.00 C ATOM 855 O GLY A 53 45.515 42.443 18.889 1.00 0.00 O ATOM 0 H GLY A 53 43.588 39.645 16.484 1.00 0.00 H new ATOM 0 HA2 GLY A 53 45.600 40.096 17.481 1.00 0.00 H new ATOM 0 HA3 GLY A 53 45.869 41.449 16.401 1.00 0.00 H new ATOM 859 N ALA A 54 43.385 42.176 18.219 1.00 0.00 N ATOM 860 CA ALA A 54 42.851 43.080 19.232 1.00 0.00 C ATOM 861 C ALA A 54 43.107 42.527 20.630 1.00 0.00 C ATOM 862 O ALA A 54 43.035 41.318 20.853 1.00 0.00 O ATOM 863 CB ALA A 54 41.346 43.269 19.023 1.00 0.00 C ATOM 0 H ALA A 54 42.683 41.764 17.604 1.00 0.00 H new ATOM 0 HA ALA A 54 43.354 44.042 19.136 1.00 0.00 H new ATOM 0 HB1 ALA A 54 40.955 43.945 19.783 1.00 0.00 H new ATOM 0 HB2 ALA A 54 41.166 43.692 18.034 1.00 0.00 H new ATOM 0 HB3 ALA A 54 40.844 42.305 19.102 1.00 0.00 H new ATOM 869 N LEU A 55 43.407 43.420 21.567 1.00 0.00 N ATOM 870 CA LEU A 55 43.674 43.008 22.941 1.00 0.00 C ATOM 871 C LEU A 55 42.437 42.357 23.552 1.00 0.00 C ATOM 872 O LEU A 55 42.540 41.370 24.280 1.00 0.00 O ATOM 873 CB LEU A 55 44.078 44.224 23.782 1.00 0.00 C ATOM 874 CG LEU A 55 45.456 44.741 23.340 1.00 0.00 C ATOM 875 CD1 LEU A 55 45.731 46.079 24.035 1.00 0.00 C ATOM 876 CD2 LEU A 55 46.561 43.726 23.707 1.00 0.00 C ATOM 0 H LEU A 55 43.471 44.425 21.403 1.00 0.00 H new ATOM 0 HA LEU A 55 44.489 42.284 22.933 1.00 0.00 H new ATOM 0 HB2 LEU A 55 43.334 45.013 23.674 1.00 0.00 H new ATOM 0 HB3 LEU A 55 44.105 43.953 24.837 1.00 0.00 H new ATOM 0 HG LEU A 55 45.458 44.874 22.258 1.00 0.00 H new ATOM 0 HD11 LEU A 55 46.707 46.455 23.728 1.00 0.00 H new ATOM 0 HD12 LEU A 55 44.961 46.799 23.756 1.00 0.00 H new ATOM 0 HD13 LEU A 55 45.721 45.937 25.116 1.00 0.00 H new ATOM 0 HD21 LEU A 55 47.529 44.110 23.386 1.00 0.00 H new ATOM 0 HD22 LEU A 55 46.571 43.573 24.786 1.00 0.00 H new ATOM 0 HD23 LEU A 55 46.364 42.777 23.208 1.00 0.00 H new ATOM 888 N ARG A 56 41.269 42.917 23.251 1.00 0.00 N ATOM 889 CA ARG A 56 40.018 42.380 23.777 1.00 0.00 C ATOM 890 C ARG A 56 39.696 41.042 23.117 1.00 0.00 C ATOM 891 O ARG A 56 39.736 40.916 21.894 1.00 0.00 O ATOM 892 CB ARG A 56 38.882 43.386 23.529 1.00 0.00 C ATOM 893 CG ARG A 56 37.518 42.824 23.976 1.00 0.00 C ATOM 894 CD ARG A 56 37.513 42.526 25.480 1.00 0.00 C ATOM 895 NE ARG A 56 36.155 42.236 25.928 1.00 0.00 N ATOM 896 CZ ARG A 56 35.918 41.802 27.161 1.00 0.00 C ATOM 897 NH1 ARG A 56 34.694 41.549 27.539 1.00 0.00 N1+ ATOM 898 NH2 ARG A 56 36.907 41.629 27.995 1.00 0.00 N ATOM 0 H ARG A 56 41.162 43.735 22.651 1.00 0.00 H new ATOM 0 HA ARG A 56 40.122 42.216 24.850 1.00 0.00 H new ATOM 0 HB2 ARG A 56 39.090 44.310 24.068 1.00 0.00 H new ATOM 0 HB3 ARG A 56 38.843 43.637 22.469 1.00 0.00 H new ATOM 0 HG2 ARG A 56 36.731 43.540 23.741 1.00 0.00 H new ATOM 0 HG3 ARG A 56 37.296 41.913 23.420 1.00 0.00 H new ATOM 0 HD2 ARG A 56 38.164 41.678 25.693 1.00 0.00 H new ATOM 0 HD3 ARG A 56 37.911 43.379 26.029 1.00 0.00 H new ATOM 0 HE ARG A 56 35.375 42.369 25.284 1.00 0.00 H new ATOM 0 HH11 ARG A 56 33.921 41.685 26.888 1.00 0.00 H new ATOM 0 HH12 ARG A 56 34.511 41.216 28.486 1.00 0.00 H new ATOM 0 HH21 ARG A 56 37.863 41.827 27.700 1.00 0.00 H new ATOM 0 HH22 ARG A 56 36.724 41.296 28.941 1.00 0.00 H new ATOM 912 N TYR A 57 39.379 40.046 23.937 1.00 0.00 N ATOM 913 CA TYR A 57 39.052 38.720 23.423 1.00 0.00 C ATOM 914 C TYR A 57 37.694 38.739 22.727 1.00 0.00 C ATOM 915 O TYR A 57 37.649 38.424 21.549 1.00 0.00 O ATOM 916 CB TYR A 57 39.032 37.706 24.570 1.00 0.00 C ATOM 917 CG TYR A 57 38.591 36.358 24.049 1.00 0.00 C ATOM 918 CD1 TYR A 57 39.492 35.551 23.347 1.00 0.00 C ATOM 919 CD2 TYR A 57 37.280 35.915 24.267 1.00 0.00 C ATOM 920 CE1 TYR A 57 39.086 34.301 22.864 1.00 0.00 C ATOM 921 CE2 TYR A 57 36.872 34.665 23.784 1.00 0.00 C ATOM 922 CZ TYR A 57 37.775 33.859 23.082 1.00 0.00 C ATOM 923 OH TYR A 57 37.374 32.628 22.606 1.00 0.00 O ATOM 924 OXT TYR A 57 36.719 39.068 23.382 1.00 0.00 O ATOM 0 H TYR A 57 39.341 40.130 24.953 1.00 0.00 H new ATOM 0 HA TYR A 57 39.813 38.430 22.699 1.00 0.00 H new ATOM 0 HB2 TYR A 57 40.023 37.628 25.017 1.00 0.00 H new ATOM 0 HB3 TYR A 57 38.355 38.043 25.355 1.00 0.00 H new ATOM 0 HD1 TYR A 57 40.502 35.892 23.177 1.00 0.00 H new ATOM 0 HD2 TYR A 57 36.583 36.538 24.808 1.00 0.00 H new ATOM 0 HE1 TYR A 57 39.783 33.678 22.324 1.00 0.00 H new ATOM 0 HE2 TYR A 57 35.861 34.324 23.953 1.00 0.00 H new ATOM 0 HH TYR A 57 36.436 32.475 22.844 1.00 0.00 H new TER 934 TYR A 57