USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 466 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+ 140:sc= 0.0302 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 162:sc= -0.0382 (180deg=-0.496) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -4.41! C(o=-4.4!,f=-13!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -5.34! C(o=-5.3!,f=-5.3!) USER MOD Single : A 13 LYS NZ :NH3+ 141:sc= -0.0413 (180deg=-0.587) USER MOD Single : A 14 ASN : amide:sc= -1.42! C(o=-1.4!,f=-7.1!) USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.162) USER MOD Single : A 18 ASN : amide:sc= -0.017 K(o=-0.017,f=-1.9!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0606 K(o=-0.061,f=-1.4!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.0769 X(o=-0.077,f=-0.54) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= -0.056 (180deg=-0.513) USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0132) USER MOD Single : A 48 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.28) USER MOD Single : A 50 HIS : no HD1:sc= -0.904 K(o=-0.9,f=-1.9!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.990 29.010 -46.340 1.00 0.00 N ATOM 2 CA GLY A 1 -19.028 27.948 -46.470 1.00 0.00 C ATOM 3 C GLY A 1 -19.283 27.314 -45.108 1.00 0.00 C ATOM 4 O GLY A 1 -18.359 27.133 -44.315 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.351 28.973 -47.159 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.450 29.942 -46.302 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.444 28.857 -45.468 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.951 28.374 -46.863 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.699 27.189 -47.180 1.00 0.00 H new ATOM 10 N SER A 2 -20.541 26.976 -44.844 1.00 0.00 N ATOM 11 CA SER A 2 -20.905 26.360 -43.573 1.00 0.00 C ATOM 12 C SER A 2 -20.195 25.020 -43.404 1.00 0.00 C ATOM 13 O SER A 2 -19.728 24.686 -42.317 1.00 0.00 O ATOM 14 CB SER A 2 -22.417 26.152 -43.510 1.00 0.00 C ATOM 15 OG SER A 2 -23.066 27.417 -43.495 1.00 0.00 O ATOM 0 H SER A 2 -21.320 27.117 -45.487 1.00 0.00 H new ATOM 0 HA SER A 2 -20.596 27.024 -42.766 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.751 25.569 -44.368 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.681 25.585 -42.617 1.00 0.00 H new ATOM 0 HG SER A 2 -24.036 27.286 -43.456 1.00 0.00 H new ATOM 21 N LYS A 3 -20.117 24.258 -44.492 1.00 0.00 N ATOM 22 CA LYS A 3 -19.461 22.956 -44.460 1.00 0.00 C ATOM 23 C LYS A 3 -20.069 22.068 -43.375 1.00 0.00 C ATOM 24 O LYS A 3 -19.356 21.314 -42.714 1.00 0.00 O ATOM 25 CB LYS A 3 -17.964 23.135 -44.191 1.00 0.00 C ATOM 26 CG LYS A 3 -17.328 23.917 -45.342 1.00 0.00 C ATOM 27 CD LYS A 3 -15.830 24.086 -45.079 1.00 0.00 C ATOM 28 CE LYS A 3 -15.189 24.843 -46.243 1.00 0.00 C ATOM 29 NZ LYS A 3 -15.776 26.211 -46.329 1.00 0.00 N1+ ATOM 0 H LYS A 3 -20.498 24.519 -45.402 1.00 0.00 H new ATOM 0 HA LYS A 3 -19.606 22.476 -45.428 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.814 23.665 -43.250 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.483 22.162 -44.089 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.485 23.391 -46.284 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.803 24.893 -45.439 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.673 24.630 -44.147 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -15.358 23.110 -44.962 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.110 24.907 -46.099 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.355 24.305 -47.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.153 26.821 -46.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -16.713 26.159 -46.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.872 26.608 -45.373 1.00 0.00 H new ATOM 43 N THR A 4 -21.389 22.159 -43.197 1.00 0.00 N ATOM 44 CA THR A 4 -22.087 21.357 -42.192 1.00 0.00 C ATOM 45 C THR A 4 -22.752 20.148 -42.842 1.00 0.00 C ATOM 46 O THR A 4 -23.480 19.401 -42.188 1.00 0.00 O ATOM 47 CB THR A 4 -23.150 22.215 -41.504 1.00 0.00 C ATOM 48 OG1 THR A 4 -24.060 22.709 -42.478 1.00 0.00 O ATOM 49 CG2 THR A 4 -22.484 23.386 -40.780 1.00 0.00 C ATOM 0 H THR A 4 -21.994 22.779 -43.735 1.00 0.00 H new ATOM 0 HA THR A 4 -21.362 21.006 -41.457 1.00 0.00 H new ATOM 0 HB THR A 4 -23.689 21.608 -40.777 1.00 0.00 H new ATOM 0 HG1 THR A 4 -24.743 23.258 -42.039 1.00 0.00 H new ATOM 0 HG21 THR A 4 -23.246 23.993 -40.292 1.00 0.00 H new ATOM 0 HG22 THR A 4 -21.790 23.004 -40.031 1.00 0.00 H new ATOM 0 HG23 THR A 4 -21.940 23.997 -41.500 1.00 0.00 H new ATOM 57 N ILE A 5 -22.505 19.970 -44.133 1.00 0.00 N ATOM 58 CA ILE A 5 -23.089 18.854 -44.867 1.00 0.00 C ATOM 59 C ILE A 5 -22.599 17.510 -44.314 1.00 0.00 C ATOM 60 O ILE A 5 -23.389 16.583 -44.138 1.00 0.00 O ATOM 61 CB ILE A 5 -22.728 18.971 -46.353 1.00 0.00 C ATOM 62 CG1 ILE A 5 -23.431 20.196 -46.944 1.00 0.00 C ATOM 63 CG2 ILE A 5 -23.190 17.717 -47.101 1.00 0.00 C ATOM 64 CD1 ILE A 5 -22.866 20.490 -48.337 1.00 0.00 C ATOM 0 H ILE A 5 -21.908 20.580 -44.691 1.00 0.00 H new ATOM 0 HA ILE A 5 -24.172 18.893 -44.748 1.00 0.00 H new ATOM 0 HB ILE A 5 -21.648 19.074 -46.455 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -24.504 20.017 -47.006 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -23.289 21.059 -46.293 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -22.931 17.806 -48.156 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -22.699 16.840 -46.679 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -24.270 17.611 -47.001 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -23.367 21.362 -48.756 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -21.797 20.687 -48.262 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -23.031 19.630 -48.986 1.00 0.00 H new ATOM 76 N GLN A 6 -21.297 17.405 -44.057 1.00 0.00 N ATOM 77 CA GLN A 6 -20.728 16.160 -43.542 1.00 0.00 C ATOM 78 C GLN A 6 -21.246 14.968 -44.355 1.00 0.00 C ATOM 79 O GLN A 6 -21.507 13.896 -43.809 1.00 0.00 O ATOM 80 CB GLN A 6 -21.087 15.980 -42.052 1.00 0.00 C ATOM 81 CG GLN A 6 -20.129 16.786 -41.160 1.00 0.00 C ATOM 82 CD GLN A 6 -20.426 18.275 -41.265 1.00 0.00 C ATOM 83 OE1 GLN A 6 -21.557 18.698 -41.037 1.00 0.00 O ATOM 84 NE2 GLN A 6 -19.472 19.099 -41.598 1.00 0.00 N ATOM 0 H GLN A 6 -20.622 18.157 -44.195 1.00 0.00 H new ATOM 0 HA GLN A 6 -19.643 16.209 -43.636 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -22.113 16.305 -41.878 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -21.037 14.924 -41.786 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -20.228 16.462 -40.124 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -19.098 16.593 -41.457 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -18.534 18.744 -41.787 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -19.663 20.098 -41.670 1.00 0.00 H new ATOM 93 N GLU A 7 -21.394 15.162 -45.665 1.00 0.00 N ATOM 94 CA GLU A 7 -21.878 14.095 -46.533 1.00 0.00 C ATOM 95 C GLU A 7 -23.202 13.538 -46.016 1.00 0.00 C ATOM 96 O GLU A 7 -23.459 12.337 -46.105 1.00 0.00 O ATOM 97 CB GLU A 7 -20.839 12.974 -46.602 1.00 0.00 C ATOM 98 CG GLU A 7 -19.516 13.535 -47.125 1.00 0.00 C ATOM 99 CD GLU A 7 -19.680 13.997 -48.569 1.00 0.00 C ATOM 100 OE1 GLU A 7 -20.613 13.548 -49.212 1.00 0.00 O ATOM 101 OE2 GLU A 7 -18.868 14.795 -49.009 1.00 0.00 O1- ATOM 0 H GLU A 7 -21.188 16.039 -46.143 1.00 0.00 H new ATOM 0 HA GLU A 7 -22.039 14.505 -47.530 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -20.695 12.536 -45.614 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -21.192 12.177 -47.256 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -19.194 14.369 -46.502 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -18.739 12.773 -47.064 1.00 0.00 H new ATOM 108 N LYS A 8 -24.038 14.418 -45.474 1.00 0.00 N ATOM 109 CA LYS A 8 -25.335 14.008 -44.947 1.00 0.00 C ATOM 110 C LYS A 8 -26.206 13.410 -46.047 1.00 0.00 C ATOM 111 O LYS A 8 -26.875 12.397 -45.841 1.00 0.00 O ATOM 112 CB LYS A 8 -26.052 15.209 -44.325 1.00 0.00 C ATOM 113 CG LYS A 8 -27.404 14.759 -43.763 1.00 0.00 C ATOM 114 CD LYS A 8 -28.019 15.868 -42.899 1.00 0.00 C ATOM 115 CE LYS A 8 -28.486 17.033 -43.779 1.00 0.00 C ATOM 116 NZ LYS A 8 -29.240 18.010 -42.945 1.00 0.00 N1+ ATOM 0 H LYS A 8 -23.842 15.415 -45.388 1.00 0.00 H new ATOM 0 HA LYS A 8 -25.165 13.248 -44.184 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -25.441 15.640 -43.532 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -26.198 15.987 -45.074 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -28.080 14.509 -44.581 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -27.275 13.855 -43.168 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -28.861 15.471 -42.332 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -27.286 16.222 -42.174 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -27.628 17.520 -44.243 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -29.118 16.663 -44.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -29.558 18.802 -43.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -30.066 17.541 -42.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -28.623 18.371 -42.190 1.00 0.00 H new ATOM 130 N GLU A 9 -26.196 14.044 -47.215 1.00 0.00 N ATOM 131 CA GLU A 9 -26.996 13.566 -48.340 1.00 0.00 C ATOM 132 C GLU A 9 -26.548 12.173 -48.774 1.00 0.00 C ATOM 133 O GLU A 9 -27.374 11.325 -49.111 1.00 0.00 O ATOM 134 CB GLU A 9 -26.888 14.534 -49.524 1.00 0.00 C ATOM 135 CG GLU A 9 -27.656 15.825 -49.216 1.00 0.00 C ATOM 136 CD GLU A 9 -27.383 16.861 -50.302 1.00 0.00 C ATOM 137 OE1 GLU A 9 -26.455 16.658 -51.067 1.00 0.00 O ATOM 138 OE2 GLU A 9 -28.105 17.844 -50.350 1.00 0.00 O1- ATOM 0 H GLU A 9 -25.648 14.883 -47.408 1.00 0.00 H new ATOM 0 HA GLU A 9 -28.035 13.514 -48.014 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -25.841 14.762 -49.724 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -27.290 14.068 -50.424 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -28.725 15.618 -49.158 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -27.354 16.215 -48.244 1.00 0.00 H new ATOM 145 N GLN A 10 -25.240 11.944 -48.768 1.00 0.00 N ATOM 146 CA GLN A 10 -24.702 10.647 -49.167 1.00 0.00 C ATOM 147 C GLN A 10 -25.206 9.549 -48.235 1.00 0.00 C ATOM 148 O GLN A 10 -25.542 8.450 -48.679 1.00 0.00 O ATOM 149 CB GLN A 10 -23.172 10.681 -49.137 1.00 0.00 C ATOM 150 CG GLN A 10 -22.606 9.387 -49.736 1.00 0.00 C ATOM 151 CD GLN A 10 -22.678 8.257 -48.712 1.00 0.00 C ATOM 152 OE1 GLN A 10 -22.601 8.504 -47.508 1.00 0.00 O ATOM 153 NE2 GLN A 10 -22.822 7.026 -49.121 1.00 0.00 N ATOM 0 H GLN A 10 -24.538 12.631 -48.494 1.00 0.00 H new ATOM 0 HA GLN A 10 -25.039 10.433 -50.181 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -22.808 11.541 -49.699 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -22.823 10.800 -48.111 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -23.168 9.115 -50.629 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -21.572 9.542 -50.045 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -22.886 6.824 -50.119 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -22.871 6.266 -48.443 1.00 0.00 H new ATOM 162 N GLU A 11 -25.257 9.854 -46.943 1.00 0.00 N ATOM 163 CA GLU A 11 -25.722 8.886 -45.958 1.00 0.00 C ATOM 164 C GLU A 11 -27.169 8.496 -46.238 1.00 0.00 C ATOM 165 O GLU A 11 -27.536 7.324 -46.154 1.00 0.00 O ATOM 166 CB GLU A 11 -25.607 9.477 -44.550 1.00 0.00 C ATOM 167 CG GLU A 11 -26.036 8.438 -43.511 1.00 0.00 C ATOM 168 CD GLU A 11 -25.855 9.001 -42.107 1.00 0.00 C ATOM 169 OE1 GLU A 11 -25.420 10.134 -41.995 1.00 0.00 O ATOM 170 OE2 GLU A 11 -26.155 8.289 -41.161 1.00 0.00 O1- ATOM 0 H GLU A 11 -24.984 10.757 -46.556 1.00 0.00 H new ATOM 0 HA GLU A 11 -25.099 7.994 -46.025 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -24.580 9.791 -44.361 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -26.232 10.366 -44.467 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -27.078 8.162 -43.670 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -25.444 7.530 -43.627 1.00 0.00 H new ATOM 177 N LEU A 12 -27.989 9.488 -46.575 1.00 0.00 N ATOM 178 CA LEU A 12 -29.395 9.236 -46.871 1.00 0.00 C ATOM 179 C LEU A 12 -29.531 8.345 -48.101 1.00 0.00 C ATOM 180 O LEU A 12 -30.381 7.458 -48.144 1.00 0.00 O ATOM 181 CB LEU A 12 -30.140 10.557 -47.109 1.00 0.00 C ATOM 182 CG LEU A 12 -30.287 11.343 -45.794 1.00 0.00 C ATOM 183 CD1 LEU A 12 -30.811 12.748 -46.113 1.00 0.00 C ATOM 184 CD2 LEU A 12 -31.270 10.629 -44.842 1.00 0.00 C ATOM 0 H LEU A 12 -27.707 10.465 -46.649 1.00 0.00 H new ATOM 0 HA LEU A 12 -29.835 8.728 -46.013 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -29.599 11.159 -47.840 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -31.125 10.354 -47.529 1.00 0.00 H new ATOM 0 HG LEU A 12 -29.316 11.406 -45.304 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -30.919 13.315 -45.188 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -30.107 13.258 -46.771 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -31.780 12.672 -46.607 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -31.361 11.200 -43.918 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -32.247 10.552 -45.319 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -30.897 9.630 -44.616 1.00 0.00 H new ATOM 196 N LYS A 13 -28.685 8.585 -49.098 1.00 0.00 N ATOM 197 CA LYS A 13 -28.723 7.792 -50.323 1.00 0.00 C ATOM 198 C LYS A 13 -28.122 6.411 -50.087 1.00 0.00 C ATOM 199 O LYS A 13 -27.120 6.269 -49.385 1.00 0.00 O ATOM 200 CB LYS A 13 -27.954 8.505 -51.440 1.00 0.00 C ATOM 201 CG LYS A 13 -28.712 9.763 -51.873 1.00 0.00 C ATOM 202 CD LYS A 13 -27.942 10.465 -52.992 1.00 0.00 C ATOM 203 CE LYS A 13 -28.727 11.689 -53.464 1.00 0.00 C ATOM 204 NZ LYS A 13 -28.856 12.660 -52.340 1.00 0.00 N1+ ATOM 0 H LYS A 13 -27.972 9.314 -49.084 1.00 0.00 H new ATOM 0 HA LYS A 13 -29.765 7.676 -50.622 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -26.956 8.773 -51.093 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -27.827 7.835 -52.291 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -29.712 9.497 -52.217 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -28.835 10.436 -51.024 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -26.957 10.767 -52.636 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -27.783 9.779 -53.824 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -28.219 12.157 -54.307 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -29.714 11.388 -53.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -28.751 13.629 -52.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -29.791 12.556 -51.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -28.116 12.474 -51.634 1.00 0.00 H new ATOM 218 N ASN A 14 -28.742 5.392 -50.680 1.00 0.00 N ATOM 219 CA ASN A 14 -28.273 4.010 -50.540 1.00 0.00 C ATOM 220 C ASN A 14 -27.909 3.425 -51.902 1.00 0.00 C ATOM 221 O ASN A 14 -27.842 2.208 -52.067 1.00 0.00 O ATOM 222 CB ASN A 14 -29.366 3.154 -49.894 1.00 0.00 C ATOM 223 CG ASN A 14 -30.587 3.085 -50.805 1.00 0.00 C ATOM 224 OD1 ASN A 14 -30.523 3.491 -51.965 1.00 0.00 O ATOM 225 ND2 ASN A 14 -31.704 2.593 -50.344 1.00 0.00 N ATOM 0 H ASN A 14 -29.572 5.496 -51.264 1.00 0.00 H new ATOM 0 HA ASN A 14 -27.385 4.010 -49.908 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -28.987 2.150 -49.704 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -29.646 3.576 -48.929 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -32.526 2.544 -50.945 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -31.755 2.257 -49.382 1.00 0.00 H new ATOM 232 N LEU A 15 -27.682 4.305 -52.879 1.00 0.00 N ATOM 233 CA LEU A 15 -27.332 3.870 -54.234 1.00 0.00 C ATOM 234 C LEU A 15 -25.818 3.921 -54.430 1.00 0.00 C ATOM 235 O LEU A 15 -25.207 4.986 -54.345 1.00 0.00 O ATOM 236 CB LEU A 15 -28.027 4.787 -55.250 1.00 0.00 C ATOM 237 CG LEU A 15 -27.678 4.373 -56.688 1.00 0.00 C ATOM 238 CD1 LEU A 15 -28.154 2.935 -56.960 1.00 0.00 C ATOM 239 CD2 LEU A 15 -28.372 5.335 -57.660 1.00 0.00 C ATOM 0 H LEU A 15 -27.734 5.317 -52.760 1.00 0.00 H new ATOM 0 HA LEU A 15 -27.664 2.842 -54.383 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -29.107 4.744 -55.106 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -27.724 5.820 -55.081 1.00 0.00 H new ATOM 0 HG LEU A 15 -26.597 4.414 -56.825 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -27.900 2.655 -57.982 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -27.665 2.252 -56.265 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -29.234 2.878 -56.826 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -28.132 5.052 -58.685 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -29.451 5.286 -57.513 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -28.027 6.352 -57.474 1.00 0.00 H new ATOM 251 N LYS A 16 -25.220 2.761 -54.691 1.00 0.00 N ATOM 252 CA LYS A 16 -23.775 2.682 -54.896 1.00 0.00 C ATOM 253 C LYS A 16 -23.035 3.384 -53.763 1.00 0.00 C ATOM 254 O LYS A 16 -22.035 4.065 -53.992 1.00 0.00 O ATOM 255 CB LYS A 16 -23.390 3.329 -56.232 1.00 0.00 C ATOM 256 CG LYS A 16 -24.136 2.661 -57.399 1.00 0.00 C ATOM 257 CD LYS A 16 -23.610 1.241 -57.636 1.00 0.00 C ATOM 258 CE LYS A 16 -24.143 0.722 -58.973 1.00 0.00 C ATOM 259 NZ LYS A 16 -25.627 0.603 -58.903 1.00 0.00 N1+ ATOM 0 H LYS A 16 -25.709 1.869 -54.765 1.00 0.00 H new ATOM 0 HA LYS A 16 -23.492 1.630 -54.910 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -23.625 4.393 -56.206 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -22.314 3.243 -56.386 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -25.204 2.627 -57.183 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -24.013 3.256 -58.304 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -22.520 1.240 -57.641 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -23.925 0.584 -56.826 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -23.859 1.400 -59.778 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -23.700 -0.247 -59.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -25.973 0.080 -59.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -25.894 0.093 -58.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -26.051 1.552 -58.890 1.00 0.00 H new ATOM 273 N ASP A 17 -23.528 3.212 -52.538 1.00 0.00 N ATOM 274 CA ASP A 17 -22.899 3.833 -51.374 1.00 0.00 C ATOM 275 C ASP A 17 -21.805 2.930 -50.812 1.00 0.00 C ATOM 276 O ASP A 17 -21.171 3.257 -49.810 1.00 0.00 O ATOM 277 CB ASP A 17 -23.950 4.095 -50.294 1.00 0.00 C ATOM 278 CG ASP A 17 -24.511 2.773 -49.777 1.00 0.00 C ATOM 279 OD1 ASP A 17 -24.065 1.738 -50.242 1.00 0.00 O ATOM 280 OD2 ASP A 17 -25.381 2.816 -48.921 1.00 0.00 O1- ATOM 0 H ASP A 17 -24.354 2.653 -52.326 1.00 0.00 H new ATOM 0 HA ASP A 17 -22.452 4.777 -51.684 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -23.506 4.657 -49.472 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -24.755 4.707 -50.700 1.00 0.00 H new ATOM 285 N ASN A 18 -21.589 1.795 -51.468 1.00 0.00 N ATOM 286 CA ASN A 18 -20.568 0.852 -51.025 1.00 0.00 C ATOM 287 C ASN A 18 -19.181 1.480 -51.101 1.00 0.00 C ATOM 288 O ASN A 18 -18.347 1.273 -50.219 1.00 0.00 O ATOM 289 CB ASN A 18 -20.609 -0.408 -51.893 1.00 0.00 C ATOM 290 CG ASN A 18 -21.858 -1.220 -51.574 1.00 0.00 C ATOM 291 OD1 ASN A 18 -22.451 -1.057 -50.507 1.00 0.00 O ATOM 292 ND2 ASN A 18 -22.298 -2.091 -52.441 1.00 0.00 N ATOM 0 H ASN A 18 -22.102 1.507 -52.301 1.00 0.00 H new ATOM 0 HA ASN A 18 -20.774 0.587 -49.988 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -20.603 -0.133 -52.948 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -19.718 -1.011 -51.716 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -23.134 -2.638 -52.235 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -21.806 -2.225 -53.324 1.00 0.00 H new ATOM 299 N VAL A 19 -18.941 2.251 -52.156 1.00 0.00 N ATOM 300 CA VAL A 19 -17.650 2.906 -52.327 1.00 0.00 C ATOM 301 C VAL A 19 -17.488 4.028 -51.311 1.00 0.00 C ATOM 302 O VAL A 19 -16.374 4.333 -50.882 1.00 0.00 O ATOM 303 CB VAL A 19 -17.531 3.475 -53.745 1.00 0.00 C ATOM 304 CG1 VAL A 19 -17.442 2.335 -54.768 1.00 0.00 C ATOM 305 CG2 VAL A 19 -18.758 4.335 -54.051 1.00 0.00 C ATOM 0 H VAL A 19 -19.616 2.436 -52.898 1.00 0.00 H new ATOM 0 HA VAL A 19 -16.864 2.168 -52.170 1.00 0.00 H new ATOM 0 HB VAL A 19 -16.628 4.082 -53.809 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -17.358 2.752 -55.771 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -16.566 1.723 -54.555 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -18.339 1.719 -54.705 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -18.676 4.741 -55.059 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -19.658 3.724 -53.978 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -18.816 5.154 -53.334 1.00 0.00 H new ATOM 315 N GLU A 20 -18.604 4.630 -50.919 1.00 0.00 N ATOM 316 CA GLU A 20 -18.573 5.710 -49.938 1.00 0.00 C ATOM 317 C GLU A 20 -18.087 5.189 -48.590 1.00 0.00 C ATOM 318 O GLU A 20 -17.326 5.859 -47.892 1.00 0.00 O ATOM 319 CB GLU A 20 -19.962 6.338 -49.783 1.00 0.00 C ATOM 320 CG GLU A 20 -20.324 7.129 -51.046 1.00 0.00 C ATOM 321 CD GLU A 20 -19.450 8.375 -51.146 1.00 0.00 C ATOM 322 OE1 GLU A 20 -18.850 8.737 -50.147 1.00 0.00 O ATOM 323 OE2 GLU A 20 -19.394 8.949 -52.221 1.00 0.00 O1- ATOM 0 H GLU A 20 -19.535 4.392 -51.261 1.00 0.00 H new ATOM 0 HA GLU A 20 -17.881 6.473 -50.294 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -20.704 5.560 -49.606 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -19.978 6.997 -48.915 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -20.185 6.505 -51.929 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -21.376 7.413 -51.019 1.00 0.00 H new ATOM 330 N LEU A 21 -18.527 3.984 -48.233 1.00 0.00 N ATOM 331 CA LEU A 21 -18.122 3.381 -46.966 1.00 0.00 C ATOM 332 C LEU A 21 -16.617 3.129 -46.955 1.00 0.00 C ATOM 333 O LEU A 21 -15.951 3.331 -45.939 1.00 0.00 O ATOM 334 CB LEU A 21 -18.864 2.058 -46.741 1.00 0.00 C ATOM 335 CG LEU A 21 -20.353 2.314 -46.444 1.00 0.00 C ATOM 336 CD1 LEU A 21 -21.100 0.976 -46.464 1.00 0.00 C ATOM 337 CD2 LEU A 21 -20.524 2.978 -45.060 1.00 0.00 C ATOM 0 H LEU A 21 -19.157 3.412 -48.796 1.00 0.00 H new ATOM 0 HA LEU A 21 -18.375 4.073 -46.163 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -18.767 1.426 -47.624 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -18.410 1.517 -45.911 1.00 0.00 H new ATOM 0 HG LEU A 21 -20.758 2.984 -47.202 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -22.156 1.146 -46.255 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -20.994 0.515 -47.446 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -20.682 0.314 -45.706 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -21.583 3.151 -44.868 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -20.118 2.323 -44.289 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -19.992 3.929 -45.045 1.00 0.00 H new ATOM 349 N GLU A 22 -16.087 2.688 -48.092 1.00 0.00 N ATOM 350 CA GLU A 22 -14.660 2.409 -48.202 1.00 0.00 C ATOM 351 C GLU A 22 -13.847 3.683 -47.993 1.00 0.00 C ATOM 352 O GLU A 22 -12.795 3.661 -47.355 1.00 0.00 O ATOM 353 CB GLU A 22 -14.349 1.823 -49.581 1.00 0.00 C ATOM 354 CG GLU A 22 -14.923 0.409 -49.677 1.00 0.00 C ATOM 355 CD GLU A 22 -14.772 -0.120 -51.098 1.00 0.00 C ATOM 356 OE1 GLU A 22 -14.455 0.669 -51.973 1.00 0.00 O ATOM 357 OE2 GLU A 22 -14.974 -1.307 -51.292 1.00 0.00 O1- ATOM 0 H GLU A 22 -16.620 2.517 -48.945 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.388 1.688 -47.431 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.776 2.454 -50.360 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.271 1.801 -49.744 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.407 -0.250 -48.978 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.975 0.415 -49.392 1.00 0.00 H new ATOM 364 N ARG A 23 -14.340 4.791 -48.537 1.00 0.00 N ATOM 365 CA ARG A 23 -13.648 6.068 -48.405 1.00 0.00 C ATOM 366 C ARG A 23 -13.522 6.457 -46.934 1.00 0.00 C ATOM 367 O ARG A 23 -12.467 6.907 -46.491 1.00 0.00 O ATOM 368 CB ARG A 23 -14.414 7.156 -49.162 1.00 0.00 C ATOM 369 CG ARG A 23 -13.662 8.486 -49.054 1.00 0.00 C ATOM 370 CD ARG A 23 -14.356 9.535 -49.924 1.00 0.00 C ATOM 371 NE ARG A 23 -13.684 10.823 -49.791 1.00 0.00 N ATOM 372 CZ ARG A 23 -12.579 11.098 -50.478 1.00 0.00 C ATOM 373 NH1 ARG A 23 -11.997 12.257 -50.342 1.00 0.00 N1+ ATOM 374 NH2 ARG A 23 -12.076 10.208 -51.290 1.00 0.00 N ATOM 0 H ARG A 23 -15.209 4.831 -49.069 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.649 5.967 -48.829 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.526 6.874 -50.209 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.418 7.260 -48.751 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.636 8.818 -48.016 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.628 8.359 -49.374 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.347 9.217 -50.967 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.401 9.629 -49.629 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.069 11.526 -49.159 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.389 12.953 -49.708 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.150 12.467 -50.869 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.531 9.301 -51.398 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.228 10.419 -51.817 1.00 0.00 H new ATOM 388 N LEU A 24 -14.605 6.283 -46.185 1.00 0.00 N ATOM 389 CA LEU A 24 -14.601 6.620 -44.766 1.00 0.00 C ATOM 390 C LEU A 24 -13.564 5.781 -44.025 1.00 0.00 C ATOM 391 O LEU A 24 -12.810 6.297 -43.200 1.00 0.00 O ATOM 392 CB LEU A 24 -15.996 6.379 -44.172 1.00 0.00 C ATOM 393 CG LEU A 24 -16.013 6.715 -42.672 1.00 0.00 C ATOM 394 CD1 LEU A 24 -15.645 8.193 -42.452 1.00 0.00 C ATOM 395 CD2 LEU A 24 -17.418 6.450 -42.121 1.00 0.00 C ATOM 0 H LEU A 24 -15.490 5.914 -46.533 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.341 7.672 -44.653 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.730 6.991 -44.695 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -16.285 5.338 -44.320 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.283 6.092 -42.154 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.661 8.417 -41.385 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.647 8.382 -42.848 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -16.366 8.828 -42.967 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.442 6.685 -41.057 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -18.139 7.076 -42.647 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.674 5.401 -42.267 1.00 0.00 H new ATOM 407 N LYS A 25 -13.530 4.487 -44.326 1.00 0.00 N ATOM 408 CA LYS A 25 -12.580 3.588 -43.681 1.00 0.00 C ATOM 409 C LYS A 25 -11.150 3.999 -44.017 1.00 0.00 C ATOM 410 O LYS A 25 -10.811 4.210 -45.181 1.00 0.00 O ATOM 411 CB LYS A 25 -12.828 2.150 -44.147 1.00 0.00 C ATOM 412 CG LYS A 25 -11.876 1.194 -43.421 1.00 0.00 C ATOM 413 CD LYS A 25 -12.158 -0.242 -43.866 1.00 0.00 C ATOM 414 CE LYS A 25 -11.203 -1.197 -43.146 1.00 0.00 C ATOM 415 NZ LYS A 25 -11.486 -2.595 -43.574 1.00 0.00 N1+ ATOM 0 H LYS A 25 -14.144 4.040 -45.007 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.719 3.647 -42.601 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.862 1.868 -43.949 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.679 2.077 -45.224 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.841 1.458 -43.641 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.006 1.284 -42.342 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.191 -0.507 -43.642 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.033 -0.331 -44.945 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.170 -0.937 -43.375 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.323 -1.104 -42.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.838 -3.245 -43.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.468 -2.840 -43.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.350 -2.678 -44.602 1.00 0.00 H new ATOM 429 N ASN A 26 -10.312 4.112 -42.986 1.00 0.00 N ATOM 430 CA ASN A 26 -8.910 4.499 -43.170 1.00 0.00 C ATOM 431 C ASN A 26 -7.995 3.599 -42.345 1.00 0.00 C ATOM 432 O ASN A 26 -6.889 3.266 -42.769 1.00 0.00 O ATOM 433 CB ASN A 26 -8.716 5.959 -42.747 1.00 0.00 C ATOM 434 CG ASN A 26 -7.415 6.507 -43.330 1.00 0.00 C ATOM 435 OD1 ASN A 26 -7.035 6.150 -44.446 1.00 0.00 O ATOM 436 ND2 ASN A 26 -6.708 7.359 -42.638 1.00 0.00 N ATOM 0 H ASN A 26 -10.578 3.942 -42.016 1.00 0.00 H new ATOM 0 HA ASN A 26 -8.653 4.388 -44.223 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -9.558 6.560 -43.090 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.695 6.031 -41.660 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.839 7.731 -43.021 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.025 7.653 -41.714 1.00 0.00 H new ATOM 443 N GLU A 27 -8.466 3.209 -41.160 1.00 0.00 N ATOM 444 CA GLU A 27 -7.689 2.344 -40.268 1.00 0.00 C ATOM 445 C GLU A 27 -8.551 1.196 -39.752 1.00 0.00 C ATOM 446 O GLU A 27 -9.758 1.349 -39.565 1.00 0.00 O ATOM 447 CB GLU A 27 -7.165 3.160 -39.083 1.00 0.00 C ATOM 448 CG GLU A 27 -6.168 4.206 -39.586 1.00 0.00 C ATOM 449 CD GLU A 27 -5.666 5.049 -38.418 1.00 0.00 C ATOM 450 OE1 GLU A 27 -6.182 4.880 -37.325 1.00 0.00 O ATOM 451 OE2 GLU A 27 -4.773 5.853 -38.634 1.00 0.00 O1- ATOM 0 H GLU A 27 -9.380 3.477 -40.795 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.850 1.931 -40.829 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.993 3.649 -38.569 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.684 2.502 -38.359 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.329 3.714 -40.078 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.643 4.846 -40.330 1.00 0.00 H new ATOM 458 N ARG A 28 -7.922 0.049 -39.522 1.00 0.00 N ATOM 459 CA ARG A 28 -8.642 -1.119 -39.024 1.00 0.00 C ATOM 460 C ARG A 28 -9.229 -0.831 -37.646 1.00 0.00 C ATOM 461 O ARG A 28 -10.349 -1.241 -37.340 1.00 0.00 O ATOM 462 CB ARG A 28 -7.688 -2.320 -38.932 1.00 0.00 C ATOM 463 CG ARG A 28 -7.291 -2.813 -40.334 1.00 0.00 C ATOM 464 CD ARG A 28 -8.383 -3.717 -40.923 1.00 0.00 C ATOM 465 NE ARG A 28 -8.595 -4.876 -40.063 1.00 0.00 N ATOM 466 CZ ARG A 28 -7.803 -5.943 -40.134 1.00 0.00 C ATOM 467 NH1 ARG A 28 -8.014 -6.966 -39.352 1.00 0.00 N1+ ATOM 468 NH2 ARG A 28 -6.816 -5.966 -40.987 1.00 0.00 N ATOM 0 H ARG A 28 -6.924 -0.098 -39.671 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.452 -1.349 -39.715 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.795 -2.038 -38.375 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.167 -3.129 -38.380 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.125 -1.959 -40.991 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.350 -3.360 -40.279 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.312 -3.157 -41.027 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.095 -4.044 -41.922 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.365 -4.868 -39.394 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.786 -6.948 -38.686 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.407 -7.784 -39.407 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.652 -5.166 -41.599 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.208 -6.783 -41.042 1.00 0.00 H new ATOM 482 N HIS A 29 -8.465 -0.123 -36.819 1.00 0.00 N ATOM 483 CA HIS A 29 -8.921 0.215 -35.476 1.00 0.00 C ATOM 484 C HIS A 29 -10.200 1.044 -35.534 1.00 0.00 C ATOM 485 O HIS A 29 -11.157 0.778 -34.807 1.00 0.00 O ATOM 486 CB HIS A 29 -7.833 0.995 -34.735 1.00 0.00 C ATOM 487 CG HIS A 29 -8.333 1.385 -33.371 1.00 0.00 C ATOM 488 ND1 HIS A 29 -8.496 0.460 -32.350 1.00 0.00 N ATOM 489 CD2 HIS A 29 -8.712 2.595 -32.844 1.00 0.00 C ATOM 490 CE1 HIS A 29 -8.953 1.122 -31.273 1.00 0.00 C ATOM 491 NE2 HIS A 29 -9.103 2.426 -31.519 1.00 0.00 N ATOM 0 H HIS A 29 -7.535 0.225 -37.053 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.130 -0.711 -34.941 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.933 0.386 -34.643 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.559 1.885 -35.302 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.707 3.535 -33.376 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -9.172 0.656 -30.324 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.433 3.144 -30.874 1.00 0.00 H new ATOM 499 N ASP A 30 -10.210 2.051 -36.403 1.00 0.00 N ATOM 500 CA ASP A 30 -11.378 2.911 -36.546 1.00 0.00 C ATOM 501 C ASP A 30 -12.589 2.099 -36.997 1.00 0.00 C ATOM 502 O ASP A 30 -13.706 2.327 -36.536 1.00 0.00 O ATOM 503 CB ASP A 30 -11.093 4.015 -37.566 1.00 0.00 C ATOM 504 CG ASP A 30 -10.107 5.022 -36.984 1.00 0.00 C ATOM 505 OD1 ASP A 30 -9.887 4.980 -35.784 1.00 0.00 O ATOM 506 OD2 ASP A 30 -9.586 5.821 -37.744 1.00 0.00 O1- ATOM 0 H ASP A 30 -9.429 2.289 -37.014 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.596 3.360 -35.577 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.686 3.581 -38.479 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.021 4.518 -37.838 1.00 0.00 H new ATOM 511 N HIS A 31 -12.355 1.154 -37.900 1.00 0.00 N ATOM 512 CA HIS A 31 -13.431 0.308 -38.411 1.00 0.00 C ATOM 513 C HIS A 31 -14.075 -0.491 -37.281 1.00 0.00 C ATOM 514 O HIS A 31 -15.297 -0.598 -37.201 1.00 0.00 O ATOM 515 CB HIS A 31 -12.884 -0.650 -39.471 1.00 0.00 C ATOM 516 CG HIS A 31 -14.011 -1.472 -40.032 1.00 0.00 C ATOM 517 ND1 HIS A 31 -14.388 -2.685 -39.478 1.00 0.00 N ATOM 518 CD2 HIS A 31 -14.851 -1.269 -41.100 1.00 0.00 C ATOM 519 CE1 HIS A 31 -15.414 -3.162 -40.207 1.00 0.00 C ATOM 520 NE2 HIS A 31 -15.736 -2.338 -41.208 1.00 0.00 N ATOM 0 H HIS A 31 -11.435 0.954 -38.293 1.00 0.00 H new ATOM 0 HA HIS A 31 -14.189 0.951 -38.859 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -12.398 -0.088 -40.268 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -12.128 -1.301 -39.033 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -14.828 -0.411 -41.756 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -15.916 -4.097 -40.007 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -16.472 -2.465 -41.902 1.00 0.00 H new ATOM 528 N ASP A 32 -13.239 -1.058 -36.415 1.00 0.00 N ATOM 529 CA ASP A 32 -13.731 -1.856 -35.296 1.00 0.00 C ATOM 530 C ASP A 32 -14.611 -1.018 -34.374 1.00 0.00 C ATOM 531 O ASP A 32 -15.618 -1.503 -33.857 1.00 0.00 O ATOM 532 CB ASP A 32 -12.553 -2.421 -34.503 1.00 0.00 C ATOM 533 CG ASP A 32 -11.842 -3.496 -35.318 1.00 0.00 C ATOM 534 OD1 ASP A 32 -10.914 -3.154 -36.031 1.00 0.00 O ATOM 535 OD2 ASP A 32 -12.236 -4.646 -35.217 1.00 0.00 O1- ATOM 0 H ASP A 32 -12.223 -0.980 -36.466 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.329 -2.674 -35.698 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.855 -1.622 -34.253 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.906 -2.841 -33.561 1.00 0.00 H new ATOM 540 N GLU A 33 -14.222 0.236 -34.167 1.00 0.00 N ATOM 541 CA GLU A 33 -14.978 1.135 -33.298 1.00 0.00 C ATOM 542 C GLU A 33 -15.105 0.542 -31.896 1.00 0.00 C ATOM 543 O GLU A 33 -16.119 0.731 -31.224 1.00 0.00 O ATOM 544 CB GLU A 33 -16.379 1.377 -33.873 1.00 0.00 C ATOM 545 CG GLU A 33 -16.261 2.009 -35.261 1.00 0.00 C ATOM 546 CD GLU A 33 -17.652 2.279 -35.828 1.00 0.00 C ATOM 547 OE1 GLU A 33 -18.616 1.914 -35.178 1.00 0.00 O ATOM 548 OE2 GLU A 33 -17.730 2.846 -36.904 1.00 0.00 O1- ATOM 0 H GLU A 33 -13.391 0.653 -34.587 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.441 2.082 -33.240 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.925 0.436 -33.936 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.947 2.031 -33.211 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -15.697 2.940 -35.200 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.710 1.345 -35.927 1.00 0.00 H new ATOM 555 N GLU A 34 -14.072 -0.176 -31.461 1.00 0.00 N ATOM 556 CA GLU A 34 -14.083 -0.788 -30.137 1.00 0.00 C ATOM 557 C GLU A 34 -14.178 0.282 -29.053 1.00 0.00 C ATOM 558 O GLU A 34 -14.904 0.123 -28.071 1.00 0.00 O ATOM 559 CB GLU A 34 -12.811 -1.617 -29.937 1.00 0.00 C ATOM 560 CG GLU A 34 -12.853 -2.312 -28.573 1.00 0.00 C ATOM 561 CD GLU A 34 -11.623 -3.197 -28.402 1.00 0.00 C ATOM 562 OE1 GLU A 34 -10.812 -3.233 -29.313 1.00 0.00 O ATOM 563 OE2 GLU A 34 -11.509 -3.823 -27.362 1.00 0.00 O1- ATOM 0 H GLU A 34 -13.224 -0.347 -32.002 1.00 0.00 H new ATOM 0 HA GLU A 34 -14.954 -1.439 -30.062 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.721 -2.359 -30.731 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.933 -0.974 -30.001 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.890 -1.568 -27.777 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.758 -2.913 -28.489 1.00 0.00 H new ATOM 570 N ALA A 35 -13.437 1.370 -29.236 1.00 0.00 N ATOM 571 CA ALA A 35 -13.441 2.459 -28.266 1.00 0.00 C ATOM 572 C ALA A 35 -14.840 3.053 -28.128 1.00 0.00 C ATOM 573 O ALA A 35 -15.275 3.387 -27.026 1.00 0.00 O ATOM 574 CB ALA A 35 -12.462 3.551 -28.703 1.00 0.00 C ATOM 0 H ALA A 35 -12.830 1.521 -30.042 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.133 2.059 -27.300 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.471 4.361 -27.973 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.457 3.134 -28.770 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.760 3.938 -29.678 1.00 0.00 H new ATOM 580 N GLU A 36 -15.537 3.186 -29.252 1.00 0.00 N ATOM 581 CA GLU A 36 -16.884 3.743 -29.241 1.00 0.00 C ATOM 582 C GLU A 36 -17.813 2.873 -28.399 1.00 0.00 C ATOM 583 O GLU A 36 -18.626 3.381 -27.629 1.00 0.00 O ATOM 584 CB GLU A 36 -17.420 3.838 -30.672 1.00 0.00 C ATOM 585 CG GLU A 36 -18.809 4.482 -30.665 1.00 0.00 C ATOM 586 CD GLU A 36 -19.315 4.644 -32.094 1.00 0.00 C ATOM 587 OE1 GLU A 36 -18.597 4.263 -33.003 1.00 0.00 O ATOM 588 OE2 GLU A 36 -20.415 5.148 -32.259 1.00 0.00 O1- ATOM 0 H GLU A 36 -15.195 2.918 -30.175 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.845 4.741 -28.803 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -16.739 4.427 -31.286 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -17.472 2.844 -31.117 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -19.502 3.865 -30.093 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -18.766 5.454 -30.173 1.00 0.00 H new ATOM 595 N ARG A 37 -17.682 1.558 -28.549 1.00 0.00 N ATOM 596 CA ARG A 37 -18.515 0.628 -27.792 1.00 0.00 C ATOM 597 C ARG A 37 -18.241 0.767 -26.297 1.00 0.00 C ATOM 598 O ARG A 37 -19.163 0.710 -25.481 1.00 0.00 O ATOM 599 CB ARG A 37 -18.237 -0.818 -28.232 1.00 0.00 C ATOM 600 CG ARG A 37 -18.794 -1.076 -29.647 1.00 0.00 C ATOM 601 CD ARG A 37 -20.287 -1.428 -29.581 1.00 0.00 C ATOM 602 NE ARG A 37 -20.793 -1.714 -30.919 1.00 0.00 N ATOM 603 CZ ARG A 37 -22.059 -2.068 -31.113 1.00 0.00 C ATOM 604 NH1 ARG A 37 -22.489 -2.319 -32.319 1.00 0.00 N1+ ATOM 605 NH2 ARG A 37 -22.873 -2.168 -30.097 1.00 0.00 N ATOM 0 H ARG A 37 -17.015 1.116 -29.181 1.00 0.00 H new ATOM 0 HA ARG A 37 -19.560 0.867 -27.988 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.164 -1.007 -28.219 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -18.692 -1.512 -27.525 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -18.650 -0.192 -30.268 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -18.243 -1.890 -30.118 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -20.437 -2.293 -28.934 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -20.845 -0.601 -29.142 1.00 0.00 H new ATOM 0 HE ARG A 37 -20.164 -1.641 -31.719 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -21.853 -2.244 -33.113 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -23.461 -2.591 -32.468 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -22.537 -1.974 -29.154 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -23.845 -2.440 -30.247 1.00 0.00 H new ATOM 619 N LYS A 38 -16.973 0.950 -25.946 1.00 0.00 N ATOM 620 CA LYS A 38 -16.593 1.097 -24.545 1.00 0.00 C ATOM 621 C LYS A 38 -17.248 2.337 -23.944 1.00 0.00 C ATOM 622 O LYS A 38 -17.695 2.321 -22.797 1.00 0.00 O ATOM 623 CB LYS A 38 -15.069 1.218 -24.427 1.00 0.00 C ATOM 624 CG LYS A 38 -14.390 -0.119 -24.773 1.00 0.00 C ATOM 625 CD LYS A 38 -14.416 -1.068 -23.565 1.00 0.00 C ATOM 626 CE LYS A 38 -13.598 -2.319 -23.887 1.00 0.00 C ATOM 627 NZ LYS A 38 -13.610 -3.236 -22.712 1.00 0.00 N1+ ATOM 0 H LYS A 38 -16.196 1.000 -26.605 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.932 0.216 -24.000 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.708 1.999 -25.096 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.800 1.517 -23.414 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.899 -0.583 -25.618 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.359 0.059 -25.080 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.007 -0.568 -22.687 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.443 -1.343 -23.326 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.013 -2.823 -24.760 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.573 -2.043 -24.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.054 -4.087 -22.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.195 -2.753 -21.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.590 -3.509 -22.495 1.00 0.00 H new ATOM 641 N ALA A 39 -17.301 3.410 -24.727 1.00 0.00 N ATOM 642 CA ALA A 39 -17.903 4.654 -24.262 1.00 0.00 C ATOM 643 C ALA A 39 -19.377 4.443 -23.927 1.00 0.00 C ATOM 644 O ALA A 39 -19.882 4.981 -22.940 1.00 0.00 O ATOM 645 CB ALA A 39 -17.772 5.732 -25.339 1.00 0.00 C ATOM 0 H ALA A 39 -16.937 3.443 -25.679 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.379 4.975 -23.362 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.224 6.658 -24.984 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -16.718 5.903 -25.556 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.281 5.404 -26.246 1.00 0.00 H new ATOM 651 N LEU A 40 -20.061 3.660 -24.754 1.00 0.00 N ATOM 652 CA LEU A 40 -21.476 3.387 -24.535 1.00 0.00 C ATOM 653 C LEU A 40 -21.679 2.686 -23.194 1.00 0.00 C ATOM 654 O LEU A 40 -22.578 3.035 -22.431 1.00 0.00 O ATOM 655 CB LEU A 40 -22.016 2.512 -25.675 1.00 0.00 C ATOM 656 CG LEU A 40 -23.505 2.196 -25.458 1.00 0.00 C ATOM 657 CD1 LEU A 40 -24.325 3.496 -25.420 1.00 0.00 C ATOM 658 CD2 LEU A 40 -23.995 1.314 -26.613 1.00 0.00 C ATOM 0 H LEU A 40 -19.662 3.206 -25.576 1.00 0.00 H new ATOM 0 HA LEU A 40 -22.021 4.331 -24.519 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -21.883 3.024 -26.628 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -21.446 1.584 -25.729 1.00 0.00 H new ATOM 0 HG LEU A 40 -23.631 1.676 -24.508 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -25.377 3.258 -25.266 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -23.972 4.125 -24.603 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -24.208 4.028 -26.364 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -25.051 1.082 -26.471 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -23.863 1.844 -27.556 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -23.420 0.388 -26.633 1.00 0.00 H new ATOM 670 N GLU A 41 -20.834 1.698 -22.914 1.00 0.00 N ATOM 671 CA GLU A 41 -20.929 0.962 -21.657 1.00 0.00 C ATOM 672 C GLU A 41 -20.660 1.884 -20.474 1.00 0.00 C ATOM 673 O GLU A 41 -21.316 1.786 -19.436 1.00 0.00 O ATOM 674 CB GLU A 41 -19.934 -0.204 -21.639 1.00 0.00 C ATOM 675 CG GLU A 41 -20.383 -1.294 -22.622 1.00 0.00 C ATOM 676 CD GLU A 41 -21.643 -1.977 -22.101 1.00 0.00 C ATOM 677 OE1 GLU A 41 -21.931 -1.826 -20.925 1.00 0.00 O ATOM 678 OE2 GLU A 41 -22.301 -2.639 -22.887 1.00 0.00 O1- ATOM 0 H GLU A 41 -20.084 1.391 -23.533 1.00 0.00 H new ATOM 0 HA GLU A 41 -21.941 0.566 -21.574 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -18.939 0.152 -21.908 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -19.864 -0.617 -20.633 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.575 -0.856 -23.601 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.588 -2.028 -22.752 1.00 0.00 H new ATOM 685 N ASP A 42 -19.690 2.779 -20.635 1.00 0.00 N ATOM 686 CA ASP A 42 -19.343 3.714 -19.571 1.00 0.00 C ATOM 687 C ASP A 42 -20.533 4.604 -19.228 1.00 0.00 C ATOM 688 O ASP A 42 -20.829 4.837 -18.055 1.00 0.00 O ATOM 689 CB ASP A 42 -18.161 4.583 -20.004 1.00 0.00 C ATOM 690 CG ASP A 42 -17.744 5.502 -18.862 1.00 0.00 C ATOM 691 OD1 ASP A 42 -18.451 5.538 -17.867 1.00 0.00 O ATOM 692 OD2 ASP A 42 -16.722 6.156 -18.997 1.00 0.00 O1- ATOM 0 H ASP A 42 -19.134 2.876 -21.485 1.00 0.00 H new ATOM 0 HA ASP A 42 -19.067 3.140 -18.686 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.323 3.951 -20.298 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -18.435 5.175 -20.877 1.00 0.00 H new ATOM 697 N LYS A 43 -21.216 5.094 -20.257 1.00 0.00 N ATOM 698 CA LYS A 43 -22.378 5.954 -20.049 1.00 0.00 C ATOM 699 C LYS A 43 -23.484 5.192 -19.324 1.00 0.00 C ATOM 700 O LYS A 43 -24.159 5.741 -18.452 1.00 0.00 O ATOM 701 CB LYS A 43 -22.905 6.483 -21.388 1.00 0.00 C ATOM 702 CG LYS A 43 -21.924 7.509 -21.965 1.00 0.00 C ATOM 703 CD LYS A 43 -22.462 8.033 -23.299 1.00 0.00 C ATOM 704 CE LYS A 43 -21.476 9.042 -23.888 1.00 0.00 C ATOM 705 NZ LYS A 43 -21.356 10.212 -22.973 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.989 4.913 -21.235 1.00 0.00 H new ATOM 0 HA LYS A 43 -22.068 6.799 -19.434 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -23.036 5.658 -22.089 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -23.884 6.941 -21.248 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -21.790 8.334 -21.265 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.945 7.051 -22.110 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -22.610 7.206 -23.993 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -23.434 8.503 -23.151 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -20.501 8.575 -24.028 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -21.817 9.369 -24.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -20.976 11.026 -23.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -22.293 10.453 -22.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -20.715 9.975 -22.189 1.00 0.00 H new ATOM 719 N LEU A 44 -23.661 3.926 -19.687 1.00 0.00 N ATOM 720 CA LEU A 44 -24.688 3.100 -19.065 1.00 0.00 C ATOM 721 C LEU A 44 -24.416 2.965 -17.569 1.00 0.00 C ATOM 722 O LEU A 44 -25.327 3.078 -16.750 1.00 0.00 O ATOM 723 CB LEU A 44 -24.709 1.714 -19.723 1.00 0.00 C ATOM 724 CG LEU A 44 -25.774 0.818 -19.072 1.00 0.00 C ATOM 725 CD1 LEU A 44 -27.169 1.448 -19.234 1.00 0.00 C ATOM 726 CD2 LEU A 44 -25.750 -0.554 -19.753 1.00 0.00 C ATOM 0 H LEU A 44 -23.111 3.453 -20.404 1.00 0.00 H new ATOM 0 HA LEU A 44 -25.659 3.575 -19.204 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -24.914 1.815 -20.789 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -23.728 1.247 -19.630 1.00 0.00 H new ATOM 0 HG LEU A 44 -25.558 0.712 -18.009 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -27.915 0.804 -18.769 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -27.184 2.427 -18.754 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -27.397 1.560 -20.294 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -26.502 -1.199 -19.299 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -25.966 -0.437 -20.815 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -24.765 -1.004 -19.630 1.00 0.00 H new ATOM 738 N ALA A 45 -23.157 2.726 -17.222 1.00 0.00 N ATOM 739 CA ALA A 45 -22.772 2.580 -15.822 1.00 0.00 C ATOM 740 C ALA A 45 -23.071 3.861 -15.051 1.00 0.00 C ATOM 741 O ALA A 45 -23.520 3.819 -13.906 1.00 0.00 O ATOM 742 CB ALA A 45 -21.282 2.256 -15.721 1.00 0.00 C ATOM 0 H ALA A 45 -22.389 2.629 -17.886 1.00 0.00 H new ATOM 0 HA ALA A 45 -23.349 1.764 -15.388 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -21.003 2.149 -14.673 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -21.076 1.325 -16.249 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -20.703 3.063 -16.170 1.00 0.00 H new ATOM 748 N ASP A 46 -22.817 5.000 -15.686 1.00 0.00 N ATOM 749 CA ASP A 46 -23.061 6.290 -15.050 1.00 0.00 C ATOM 750 C ASP A 46 -24.538 6.448 -14.707 1.00 0.00 C ATOM 751 O ASP A 46 -24.885 6.974 -13.649 1.00 0.00 O ATOM 752 CB ASP A 46 -22.628 7.423 -15.983 1.00 0.00 C ATOM 753 CG ASP A 46 -21.106 7.470 -16.075 1.00 0.00 C ATOM 754 OD1 ASP A 46 -20.463 6.829 -15.261 1.00 0.00 O ATOM 755 OD2 ASP A 46 -20.606 8.147 -16.959 1.00 0.00 O1- ATOM 0 H ASP A 46 -22.445 5.057 -16.634 1.00 0.00 H new ATOM 0 HA ASP A 46 -22.479 6.335 -14.129 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -23.056 7.273 -16.974 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -23.008 8.375 -15.613 1.00 0.00 H new ATOM 760 N LYS A 47 -25.406 5.987 -15.604 1.00 0.00 N ATOM 761 CA LYS A 47 -26.847 6.081 -15.379 1.00 0.00 C ATOM 762 C LYS A 47 -27.341 4.865 -14.602 1.00 0.00 C ATOM 763 O LYS A 47 -27.550 3.794 -15.171 1.00 0.00 O ATOM 764 CB LYS A 47 -27.580 6.160 -16.720 1.00 0.00 C ATOM 765 CG LYS A 47 -27.233 7.478 -17.416 1.00 0.00 C ATOM 766 CD LYS A 47 -27.968 7.556 -18.756 1.00 0.00 C ATOM 767 CE LYS A 47 -27.623 8.875 -19.451 1.00 0.00 C ATOM 768 NZ LYS A 47 -28.334 8.947 -20.759 1.00 0.00 N1+ ATOM 0 H LYS A 47 -25.141 5.548 -16.486 1.00 0.00 H new ATOM 0 HA LYS A 47 -27.051 6.982 -14.800 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -27.297 5.318 -17.351 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -28.656 6.092 -16.562 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -27.515 8.320 -16.785 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -26.157 7.545 -17.575 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -27.684 6.714 -19.388 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -29.044 7.487 -18.597 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -27.911 9.717 -18.821 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -26.546 8.946 -19.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -28.061 9.819 -21.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -28.077 8.123 -21.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -29.361 8.949 -20.596 1.00 0.00 H new ATOM 782 N GLN A 48 -27.523 5.041 -13.297 1.00 0.00 N ATOM 783 CA GLN A 48 -27.990 3.952 -12.446 1.00 0.00 C ATOM 784 C GLN A 48 -29.386 3.502 -12.865 1.00 0.00 C ATOM 785 O GLN A 48 -29.680 2.307 -12.895 1.00 0.00 O ATOM 786 CB GLN A 48 -28.012 4.408 -10.984 1.00 0.00 C ATOM 787 CG GLN A 48 -28.354 3.231 -10.063 1.00 0.00 C ATOM 788 CD GLN A 48 -27.273 2.157 -10.150 1.00 0.00 C ATOM 789 OE1 GLN A 48 -26.097 2.439 -9.922 1.00 0.00 O ATOM 790 NE2 GLN A 48 -27.604 0.936 -10.472 1.00 0.00 N ATOM 0 H GLN A 48 -27.356 5.921 -12.808 1.00 0.00 H new ATOM 0 HA GLN A 48 -27.306 3.111 -12.554 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -27.041 4.822 -10.711 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -28.746 5.204 -10.855 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -28.447 3.580 -9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -29.319 2.809 -10.344 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -28.579 0.705 -10.660 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -26.887 0.213 -10.535 1.00 0.00 H new ATOM 799 N GLU A 49 -30.245 4.466 -13.186 1.00 0.00 N ATOM 800 CA GLU A 49 -31.608 4.153 -13.598 1.00 0.00 C ATOM 801 C GLU A 49 -32.320 5.418 -14.088 1.00 0.00 C ATOM 802 O GLU A 49 -33.486 5.646 -13.769 1.00 0.00 O ATOM 803 CB GLU A 49 -32.377 3.551 -12.413 1.00 0.00 C ATOM 804 CG GLU A 49 -33.612 2.794 -12.919 1.00 0.00 C ATOM 805 CD GLU A 49 -34.362 2.180 -11.743 1.00 0.00 C ATOM 806 OE1 GLU A 49 -33.767 2.059 -10.684 1.00 0.00 O ATOM 807 OE2 GLU A 49 -35.521 1.842 -11.917 1.00 0.00 O1- ATOM 0 H GLU A 49 -30.023 5.461 -13.169 1.00 0.00 H new ATOM 0 HA GLU A 49 -31.574 3.432 -14.415 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -31.730 2.875 -11.854 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -32.681 4.341 -11.727 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -34.267 3.473 -13.465 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -33.310 2.013 -13.617 1.00 0.00 H new ATOM 814 N HIS A 50 -31.612 6.244 -14.858 1.00 0.00 N ATOM 815 CA HIS A 50 -32.199 7.476 -15.371 1.00 0.00 C ATOM 816 C HIS A 50 -33.372 7.170 -16.297 1.00 0.00 C ATOM 817 O HIS A 50 -34.394 7.856 -16.266 1.00 0.00 O ATOM 818 CB HIS A 50 -31.144 8.286 -16.130 1.00 0.00 C ATOM 819 CG HIS A 50 -30.150 8.865 -15.159 1.00 0.00 C ATOM 820 ND1 HIS A 50 -29.101 9.671 -15.572 1.00 0.00 N ATOM 821 CD2 HIS A 50 -30.028 8.762 -13.795 1.00 0.00 C ATOM 822 CE1 HIS A 50 -28.400 10.018 -14.477 1.00 0.00 C ATOM 823 NE2 HIS A 50 -28.922 9.491 -13.367 1.00 0.00 N ATOM 0 H HIS A 50 -30.644 6.084 -15.136 1.00 0.00 H new ATOM 0 HA HIS A 50 -32.563 8.059 -14.525 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -30.633 7.649 -16.851 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -31.623 9.086 -16.695 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -30.690 8.201 -13.152 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -27.522 10.646 -14.494 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -28.583 9.599 -12.411 1.00 0.00 H new ATOM 831 N LEU A 51 -33.220 6.137 -17.120 1.00 0.00 N ATOM 832 CA LEU A 51 -34.279 5.752 -18.048 1.00 0.00 C ATOM 833 C LEU A 51 -34.672 6.939 -18.916 1.00 0.00 C ATOM 834 O LEU A 51 -35.651 6.882 -19.661 1.00 0.00 O ATOM 835 CB LEU A 51 -35.500 5.276 -17.267 1.00 0.00 C ATOM 836 CG LEU A 51 -35.100 4.152 -16.308 1.00 0.00 C ATOM 837 CD1 LEU A 51 -36.316 3.767 -15.471 1.00 0.00 C ATOM 838 CD2 LEU A 51 -34.607 2.930 -17.100 1.00 0.00 C ATOM 0 H LEU A 51 -32.383 5.556 -17.164 1.00 0.00 H new ATOM 0 HA LEU A 51 -33.912 4.946 -18.684 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -35.931 6.106 -16.708 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -36.268 4.922 -17.955 1.00 0.00 H new ATOM 0 HG LEU A 51 -34.293 4.494 -15.660 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -36.045 2.966 -14.783 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -36.656 4.633 -14.904 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -37.116 3.426 -16.128 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -34.325 2.137 -16.407 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -35.403 2.575 -17.754 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -33.742 3.211 -17.701 1.00 0.00 H new ATOM 850 N ASP A 52 -33.905 8.012 -18.806 1.00 0.00 N ATOM 851 CA ASP A 52 -34.175 9.220 -19.579 1.00 0.00 C ATOM 852 C ASP A 52 -34.115 8.927 -21.075 1.00 0.00 C ATOM 853 O ASP A 52 -34.964 9.386 -21.840 1.00 0.00 O ATOM 854 CB ASP A 52 -33.154 10.303 -19.228 1.00 0.00 C ATOM 855 CG ASP A 52 -33.485 11.592 -19.972 1.00 0.00 C ATOM 856 OD1 ASP A 52 -34.369 11.558 -20.812 1.00 0.00 O ATOM 857 OD2 ASP A 52 -32.849 12.595 -19.692 1.00 0.00 O1- ATOM 0 H ASP A 52 -33.093 8.074 -18.192 1.00 0.00 H new ATOM 0 HA ASP A 52 -35.177 9.570 -19.330 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -33.157 10.483 -18.153 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -32.151 9.968 -19.492 1.00 0.00 H new ATOM 862 N GLY A 53 -33.110 8.161 -21.487 1.00 0.00 N ATOM 863 CA GLY A 53 -32.958 7.817 -22.896 1.00 0.00 C ATOM 864 C GLY A 53 -32.365 8.983 -23.681 1.00 0.00 C ATOM 865 O GLY A 53 -32.421 9.005 -24.910 1.00 0.00 O ATOM 0 H GLY A 53 -32.396 7.770 -20.873 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -32.314 6.943 -22.993 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -33.927 7.547 -23.315 1.00 0.00 H new ATOM 869 N ALA A 54 -31.801 9.953 -22.968 1.00 0.00 N ATOM 870 CA ALA A 54 -31.208 11.116 -23.617 1.00 0.00 C ATOM 871 C ALA A 54 -30.070 10.694 -24.541 1.00 0.00 C ATOM 872 O ALA A 54 -29.912 11.240 -25.633 1.00 0.00 O ATOM 873 CB ALA A 54 -30.677 12.088 -22.561 1.00 0.00 C ATOM 0 H ALA A 54 -31.742 9.957 -21.950 1.00 0.00 H new ATOM 0 HA ALA A 54 -31.978 11.609 -24.211 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -30.235 12.954 -23.053 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -31.497 12.413 -21.921 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -29.920 11.590 -21.956 1.00 0.00 H new ATOM 879 N LEU A 55 -29.278 9.724 -24.097 1.00 0.00 N ATOM 880 CA LEU A 55 -28.157 9.242 -24.894 1.00 0.00 C ATOM 881 C LEU A 55 -28.653 8.670 -26.222 1.00 0.00 C ATOM 882 O LEU A 55 -28.092 8.960 -27.278 1.00 0.00 O ATOM 883 CB LEU A 55 -27.387 8.170 -24.112 1.00 0.00 C ATOM 884 CG LEU A 55 -26.211 7.631 -24.943 1.00 0.00 C ATOM 885 CD1 LEU A 55 -25.235 8.769 -25.284 1.00 0.00 C ATOM 886 CD2 LEU A 55 -25.482 6.557 -24.127 1.00 0.00 C ATOM 0 H LEU A 55 -29.390 9.259 -23.196 1.00 0.00 H new ATOM 0 HA LEU A 55 -27.490 10.078 -25.106 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -27.016 8.591 -23.178 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -28.058 7.352 -23.849 1.00 0.00 H new ATOM 0 HG LEU A 55 -26.588 7.205 -25.873 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -24.407 8.374 -25.873 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -25.756 9.535 -25.859 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -24.849 9.206 -24.363 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -24.645 6.166 -24.706 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -25.110 6.994 -23.200 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -26.172 5.746 -23.894 1.00 0.00 H new ATOM 898 N ARG A 56 -29.703 7.857 -26.160 1.00 0.00 N ATOM 899 CA ARG A 56 -30.256 7.255 -27.369 1.00 0.00 C ATOM 900 C ARG A 56 -30.789 8.328 -28.308 1.00 0.00 C ATOM 901 O ARG A 56 -30.605 8.254 -29.523 1.00 0.00 O ATOM 902 CB ARG A 56 -31.389 6.297 -26.999 1.00 0.00 C ATOM 903 CG ARG A 56 -30.813 5.068 -26.298 1.00 0.00 C ATOM 904 CD ARG A 56 -31.956 4.209 -25.759 1.00 0.00 C ATOM 905 NE ARG A 56 -32.622 4.887 -24.654 1.00 0.00 N ATOM 906 CZ ARG A 56 -33.687 4.355 -24.063 1.00 0.00 C ATOM 907 NH1 ARG A 56 -34.262 4.975 -23.070 1.00 0.00 N1+ ATOM 908 NH2 ARG A 56 -34.156 3.209 -24.475 1.00 0.00 N ATOM 0 H ARG A 56 -30.183 7.602 -25.297 1.00 0.00 H new ATOM 0 HA ARG A 56 -29.461 6.707 -27.875 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -32.104 6.798 -26.347 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -31.931 5.996 -27.895 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -30.206 4.490 -26.994 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -30.158 5.374 -25.483 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -32.673 4.005 -26.554 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -31.570 3.246 -25.424 1.00 0.00 H new ATOM 0 HE ARG A 56 -32.265 5.785 -24.329 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -33.894 5.870 -22.746 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -35.079 4.565 -22.618 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -33.705 2.722 -25.250 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -34.973 2.800 -24.022 1.00 0.00 H new ATOM 922 N TYR A 57 -31.449 9.332 -27.734 1.00 0.00 N ATOM 923 CA TYR A 57 -32.012 10.431 -28.515 1.00 0.00 C ATOM 924 C TYR A 57 -31.107 11.656 -28.441 1.00 0.00 C ATOM 925 O TYR A 57 -31.420 12.553 -27.675 1.00 0.00 O ATOM 926 CB TYR A 57 -33.398 10.786 -27.976 1.00 0.00 C ATOM 927 CG TYR A 57 -34.381 9.700 -28.346 1.00 0.00 C ATOM 928 CD1 TYR A 57 -34.595 8.623 -27.477 1.00 0.00 C ATOM 929 CD2 TYR A 57 -35.075 9.770 -29.559 1.00 0.00 C ATOM 930 CE1 TYR A 57 -35.507 7.617 -27.821 1.00 0.00 C ATOM 931 CE2 TYR A 57 -35.985 8.763 -29.903 1.00 0.00 C ATOM 932 CZ TYR A 57 -36.201 7.688 -29.034 1.00 0.00 C ATOM 933 OH TYR A 57 -37.099 6.696 -29.374 1.00 0.00 O ATOM 934 OXT TYR A 57 -30.115 11.681 -29.151 1.00 0.00 O ATOM 0 H TYR A 57 -31.607 9.407 -26.729 1.00 0.00 H new ATOM 0 HA TYR A 57 -32.092 10.116 -29.555 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -33.359 10.901 -26.893 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -33.725 11.741 -28.387 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -34.057 8.568 -26.542 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -34.909 10.600 -30.229 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -35.674 6.787 -27.150 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -36.520 8.816 -30.839 1.00 0.00 H new ATOM 0 HH TYR A 57 -37.495 6.898 -30.247 1.00 0.00 H new TER 944 TYR A 57