USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 609 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 LYS NZ :NH3+ -162:sc= 0.115 (180deg=0.0523) USER MOD Set 1.2: A 39 TYR OH : rot -151:sc= 0.189 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.0636 X(o=-0.064,f=-0.064) USER MOD Single : A 4 MET CE :methyl -141:sc= 0 (180deg=-0.708) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 160:sc= -0.0767 USER MOD Single : A 21 MET CE :methyl -153:sc= -0.183 (180deg=-1.16) USER MOD Single : A 26 SER OG : rot -87:sc= 0.0495 USER MOD Single : A 27 CYS SG : rot -96:sc= -2.98! USER MOD Single : A 28 GLN : amide:sc= 0.627 K(o=0.63,f=0) USER MOD Single : A 29 THR OG1 : rot -25:sc= 0.178 USER MOD Single : A 40 TYR OH : rot -47:sc= 1.25 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -100:sc= 0.0218 (180deg=-0.508) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0895 USER MOD Single : A 50 LYS NZ :NH3+ -158:sc= 0.865 (180deg=0.267) USER MOD Single : A 52 THR OG1 : rot 170:sc= 0.491 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= 0.611 (180deg=0.493) USER MOD Single : A 71 SER OG : rot -50:sc= 0.00121 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.967 -5.783 6.263 1.00 0.00 N ATOM 2 CA GLY A 1 22.950 -6.659 5.632 1.00 0.00 C ATOM 3 C GLY A 1 23.507 -8.045 5.347 1.00 0.00 C ATOM 4 O GLY A 1 24.383 -8.199 4.497 1.00 0.00 O ATOM 0 H1 GLY A 1 23.554 -4.846 6.444 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.278 -6.204 7.162 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.783 -5.685 5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.083 -6.742 6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.605 -6.206 4.702 1.00 0.00 H new ATOM 10 N SER A 2 23.018 -9.061 6.060 1.00 0.00 N ATOM 11 CA SER A 2 23.487 -10.458 5.975 1.00 0.00 C ATOM 12 C SER A 2 23.078 -11.216 4.695 1.00 0.00 C ATOM 13 O SER A 2 23.669 -12.254 4.374 1.00 0.00 O ATOM 14 CB SER A 2 22.999 -11.228 7.212 1.00 0.00 C ATOM 15 OG SER A 2 21.582 -11.196 7.322 1.00 0.00 O ATOM 0 H SER A 2 22.262 -8.938 6.734 1.00 0.00 H new ATOM 0 HA SER A 2 24.575 -10.402 5.935 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.337 -12.263 7.154 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.444 -10.797 8.109 1.00 0.00 H new ATOM 0 HG SER A 2 21.304 -11.696 8.118 1.00 0.00 H new ATOM 21 N HIS A 3 22.091 -10.710 3.944 1.00 0.00 N ATOM 22 CA HIS A 3 21.578 -11.308 2.701 1.00 0.00 C ATOM 23 C HIS A 3 21.046 -10.246 1.711 1.00 0.00 C ATOM 24 O HIS A 3 20.526 -9.203 2.118 1.00 0.00 O ATOM 25 CB HIS A 3 20.465 -12.308 3.054 1.00 0.00 C ATOM 26 CG HIS A 3 19.825 -12.949 1.845 1.00 0.00 C ATOM 27 ND1 HIS A 3 20.447 -13.850 0.976 1.00 0.00 N ATOM 28 CD2 HIS A 3 18.567 -12.686 1.382 1.00 0.00 C ATOM 29 CE1 HIS A 3 19.543 -14.117 0.015 1.00 0.00 C ATOM 30 NE2 HIS A 3 18.408 -13.431 0.233 1.00 0.00 N ATOM 0 H HIS A 3 21.611 -9.845 4.192 1.00 0.00 H new ATOM 0 HA HIS A 3 22.404 -11.816 2.203 1.00 0.00 H new ATOM 0 HB2 HIS A 3 20.878 -13.088 3.693 1.00 0.00 H new ATOM 0 HB3 HIS A 3 19.697 -11.795 3.633 1.00 0.00 H new ATOM 0 HD2 HIS A 3 17.840 -12.024 1.829 1.00 0.00 H new ATOM 0 HE1 HIS A 3 19.707 -14.788 -0.815 1.00 0.00 H new ATOM 0 HE2 HIS A 3 17.572 -13.457 -0.351 1.00 0.00 H new ATOM 38 N MET A 4 21.147 -10.539 0.411 1.00 0.00 N ATOM 39 CA MET A 4 20.565 -9.775 -0.703 1.00 0.00 C ATOM 40 C MET A 4 20.302 -10.667 -1.934 1.00 0.00 C ATOM 41 O MET A 4 20.967 -11.687 -2.137 1.00 0.00 O ATOM 42 CB MET A 4 21.437 -8.562 -1.064 1.00 0.00 C ATOM 43 CG MET A 4 22.762 -8.862 -1.776 1.00 0.00 C ATOM 44 SD MET A 4 23.992 -9.910 -0.930 1.00 0.00 S ATOM 45 CE MET A 4 24.334 -8.931 0.554 1.00 0.00 C ATOM 0 H MET A 4 21.663 -11.357 0.088 1.00 0.00 H new ATOM 0 HA MET A 4 19.599 -9.399 -0.367 1.00 0.00 H new ATOM 0 HB2 MET A 4 20.851 -7.897 -1.699 1.00 0.00 H new ATOM 0 HB3 MET A 4 21.658 -8.015 -0.147 1.00 0.00 H new ATOM 0 HG2 MET A 4 22.525 -9.334 -2.730 1.00 0.00 H new ATOM 0 HG3 MET A 4 23.239 -7.908 -2.002 1.00 0.00 H new ATOM 0 HE1 MET A 4 25.398 -8.982 0.786 1.00 0.00 H new ATOM 0 HE2 MET A 4 24.050 -7.893 0.379 1.00 0.00 H new ATOM 0 HE3 MET A 4 23.760 -9.327 1.392 1.00 0.00 H new ATOM 55 N LEU A 5 19.327 -10.281 -2.762 1.00 0.00 N ATOM 56 CA LEU A 5 18.873 -11.085 -3.910 1.00 0.00 C ATOM 57 C LEU A 5 19.836 -11.020 -5.120 1.00 0.00 C ATOM 58 O LEU A 5 19.981 -11.997 -5.861 1.00 0.00 O ATOM 59 CB LEU A 5 17.459 -10.641 -4.327 1.00 0.00 C ATOM 60 CG LEU A 5 16.354 -10.907 -3.278 1.00 0.00 C ATOM 61 CD1 LEU A 5 16.188 -9.772 -2.266 1.00 0.00 C ATOM 62 CD2 LEU A 5 15.008 -11.074 -3.985 1.00 0.00 C ATOM 0 H LEU A 5 18.826 -9.399 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 5 18.859 -12.125 -3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 5 17.480 -9.574 -4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 5 17.192 -11.153 -5.252 1.00 0.00 H new ATOM 0 HG LEU A 5 16.660 -11.806 -2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 5 15.397 -10.026 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 5 17.123 -9.627 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 5 15.926 -8.853 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 5 14.229 -11.261 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 5 14.772 -10.165 -4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 5 15.062 -11.915 -4.676 1.00 0.00 H new ATOM 74 N LEU A 6 20.501 -9.870 -5.296 1.00 0.00 N ATOM 75 CA LEU A 6 21.510 -9.606 -6.338 1.00 0.00 C ATOM 76 C LEU A 6 22.427 -8.415 -5.970 1.00 0.00 C ATOM 77 O LEU A 6 23.641 -8.475 -6.174 1.00 0.00 O ATOM 78 CB LEU A 6 20.770 -9.333 -7.670 1.00 0.00 C ATOM 79 CG LEU A 6 21.682 -9.064 -8.885 1.00 0.00 C ATOM 80 CD1 LEU A 6 22.568 -10.261 -9.233 1.00 0.00 C ATOM 81 CD2 LEU A 6 20.820 -8.747 -10.107 1.00 0.00 C ATOM 0 H LEU A 6 20.346 -9.063 -4.692 1.00 0.00 H new ATOM 0 HA LEU A 6 22.158 -10.478 -6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 6 20.134 -10.189 -7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 6 20.112 -8.475 -7.532 1.00 0.00 H new ATOM 0 HG LEU A 6 22.326 -8.226 -8.617 1.00 0.00 H new ATOM 0 HD11 LEU A 6 23.188 -10.016 -10.095 1.00 0.00 H new ATOM 0 HD12 LEU A 6 23.206 -10.500 -8.383 1.00 0.00 H new ATOM 0 HD13 LEU A 6 21.941 -11.121 -9.470 1.00 0.00 H new ATOM 0 HD21 LEU A 6 21.463 -8.557 -10.966 1.00 0.00 H new ATOM 0 HD22 LEU A 6 20.168 -9.594 -10.322 1.00 0.00 H new ATOM 0 HD23 LEU A 6 20.213 -7.864 -9.905 1.00 0.00 H new ATOM 93 N GLU A 7 21.843 -7.350 -5.399 1.00 0.00 N ATOM 94 CA GLU A 7 22.516 -6.096 -5.000 1.00 0.00 C ATOM 95 C GLU A 7 21.917 -5.527 -3.709 1.00 0.00 C ATOM 96 O GLU A 7 20.715 -5.650 -3.463 1.00 0.00 O ATOM 97 CB GLU A 7 22.397 -5.082 -6.150 1.00 0.00 C ATOM 98 CG GLU A 7 23.236 -3.822 -5.952 1.00 0.00 C ATOM 99 CD GLU A 7 23.155 -2.959 -7.204 1.00 0.00 C ATOM 100 OE1 GLU A 7 22.233 -2.115 -7.285 1.00 0.00 O ATOM 101 OE2 GLU A 7 24.019 -3.117 -8.094 1.00 0.00 O ATOM 0 H GLU A 7 20.844 -7.335 -5.192 1.00 0.00 H new ATOM 0 HA GLU A 7 23.567 -6.303 -4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 7 22.698 -5.565 -7.080 1.00 0.00 H new ATOM 0 HB3 GLU A 7 21.351 -4.796 -6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 7 22.875 -3.264 -5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 7 24.273 -4.090 -5.748 1.00 0.00 H new ATOM 108 N PHE A 8 22.766 -4.913 -2.879 1.00 0.00 N ATOM 109 CA PHE A 8 22.447 -4.443 -1.521 1.00 0.00 C ATOM 110 C PHE A 8 21.224 -3.503 -1.430 1.00 0.00 C ATOM 111 O PHE A 8 20.475 -3.533 -0.451 1.00 0.00 O ATOM 112 CB PHE A 8 23.664 -3.694 -0.948 1.00 0.00 C ATOM 113 CG PHE A 8 24.981 -4.460 -0.939 1.00 0.00 C ATOM 114 CD1 PHE A 8 25.318 -5.276 0.157 1.00 0.00 C ATOM 115 CD2 PHE A 8 25.889 -4.316 -2.010 1.00 0.00 C ATOM 116 CE1 PHE A 8 26.551 -5.953 0.180 1.00 0.00 C ATOM 117 CE2 PHE A 8 27.120 -4.995 -1.983 1.00 0.00 C ATOM 118 CZ PHE A 8 27.452 -5.813 -0.890 1.00 0.00 C ATOM 0 H PHE A 8 23.733 -4.721 -3.142 1.00 0.00 H new ATOM 0 HA PHE A 8 22.198 -5.339 -0.953 1.00 0.00 H new ATOM 0 HB2 PHE A 8 23.804 -2.778 -1.522 1.00 0.00 H new ATOM 0 HB3 PHE A 8 23.433 -3.397 0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 8 24.629 -5.383 0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 8 25.638 -3.685 -2.850 1.00 0.00 H new ATOM 0 HE1 PHE A 8 26.806 -6.581 1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 8 27.812 -4.887 -2.805 1.00 0.00 H new ATOM 0 HZ PHE A 8 28.398 -6.334 -0.872 1.00 0.00 H new ATOM 128 N LYS A 9 21.029 -2.651 -2.442 1.00 0.00 N ATOM 129 CA LYS A 9 20.075 -1.530 -2.437 1.00 0.00 C ATOM 130 C LYS A 9 18.590 -1.906 -2.294 1.00 0.00 C ATOM 131 O LYS A 9 17.795 -1.105 -1.836 1.00 0.00 O ATOM 132 CB LYS A 9 20.274 -0.680 -3.706 1.00 0.00 C ATOM 133 CG LYS A 9 21.663 -0.028 -3.783 1.00 0.00 C ATOM 134 CD LYS A 9 21.750 0.893 -5.015 1.00 0.00 C ATOM 135 CE LYS A 9 23.141 1.527 -5.118 1.00 0.00 C ATOM 136 NZ LYS A 9 23.265 2.380 -6.319 1.00 0.00 N ATOM 0 H LYS A 9 21.547 -2.723 -3.318 1.00 0.00 H new ATOM 0 HA LYS A 9 20.307 -0.970 -1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 9 20.125 -1.308 -4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 9 19.512 0.098 -3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 9 21.854 0.546 -2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 9 22.432 -0.798 -3.841 1.00 0.00 H new ATOM 0 HD2 LYS A 9 21.537 0.322 -5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 9 20.993 1.674 -4.946 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.336 2.123 -4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 9 23.897 0.743 -5.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 24.219 2.792 -6.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 23.103 1.806 -7.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 22.560 3.143 -6.277 1.00 0.00 H new ATOM 150 N GLN A 10 18.154 -3.061 -2.787 1.00 0.00 N ATOM 151 CA GLN A 10 16.735 -3.410 -2.997 1.00 0.00 C ATOM 152 C GLN A 10 15.950 -3.729 -1.758 1.00 0.00 C ATOM 153 O GLN A 10 14.726 -3.811 -1.833 1.00 0.00 O ATOM 154 CB GLN A 10 16.535 -4.577 -3.967 1.00 0.00 C ATOM 155 CG GLN A 10 17.460 -4.472 -5.169 1.00 0.00 C ATOM 156 CD GLN A 10 17.246 -5.611 -6.137 1.00 0.00 C ATOM 157 OE1 GLN A 10 16.689 -5.444 -7.218 1.00 0.00 O ATOM 158 NE2 GLN A 10 17.667 -6.805 -5.773 1.00 0.00 N ATOM 0 H GLN A 10 18.790 -3.809 -3.063 1.00 0.00 H new ATOM 0 HA GLN A 10 16.348 -2.481 -3.417 1.00 0.00 H new ATOM 0 HB2 GLN A 10 16.718 -5.518 -3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 10 15.499 -4.596 -4.305 1.00 0.00 H new ATOM 0 HG2 GLN A 10 17.289 -3.524 -5.679 1.00 0.00 H new ATOM 0 HG3 GLN A 10 18.497 -4.470 -4.832 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.128 -6.930 -4.872 1.00 0.00 H new ATOM 0 HE22 GLN A 10 17.532 -7.604 -6.392 1.00 0.00 H new ATOM 167 N PHE A 11 16.614 -3.880 -0.620 1.00 0.00 N ATOM 168 CA PHE A 11 15.901 -4.265 0.585 1.00 0.00 C ATOM 169 C PHE A 11 14.802 -3.257 0.923 1.00 0.00 C ATOM 170 O PHE A 11 13.733 -3.624 1.401 1.00 0.00 O ATOM 171 CB PHE A 11 16.873 -4.330 1.761 1.00 0.00 C ATOM 172 CG PHE A 11 17.341 -3.014 2.371 1.00 0.00 C ATOM 173 CD1 PHE A 11 18.195 -2.165 1.647 1.00 0.00 C ATOM 174 CD2 PHE A 11 16.902 -2.626 3.652 1.00 0.00 C ATOM 175 CE1 PHE A 11 18.596 -0.930 2.183 1.00 0.00 C ATOM 176 CE2 PHE A 11 17.309 -1.395 4.198 1.00 0.00 C ATOM 177 CZ PHE A 11 18.152 -0.545 3.461 1.00 0.00 C ATOM 0 H PHE A 11 17.619 -3.746 -0.508 1.00 0.00 H new ATOM 0 HA PHE A 11 15.449 -5.241 0.407 1.00 0.00 H new ATOM 0 HB2 PHE A 11 16.404 -4.917 2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 11 17.756 -4.881 1.436 1.00 0.00 H new ATOM 0 HD1 PHE A 11 18.546 -2.464 0.670 1.00 0.00 H new ATOM 0 HD2 PHE A 11 16.250 -3.276 4.217 1.00 0.00 H new ATOM 0 HE1 PHE A 11 19.243 -0.278 1.615 1.00 0.00 H new ATOM 0 HE2 PHE A 11 16.974 -1.103 5.182 1.00 0.00 H new ATOM 0 HZ PHE A 11 18.459 0.404 3.876 1.00 0.00 H new ATOM 187 N LEU A 12 15.093 -1.991 0.606 1.00 0.00 N ATOM 188 CA LEU A 12 14.226 -0.853 0.809 1.00 0.00 C ATOM 189 C LEU A 12 13.127 -0.569 -0.221 1.00 0.00 C ATOM 190 O LEU A 12 12.164 0.160 0.009 1.00 0.00 O ATOM 191 CB LEU A 12 14.977 0.290 1.460 1.00 0.00 C ATOM 192 CG LEU A 12 15.584 1.466 0.705 1.00 0.00 C ATOM 193 CD1 LEU A 12 16.498 0.907 -0.336 1.00 0.00 C ATOM 194 CD2 LEU A 12 14.524 2.354 0.073 1.00 0.00 C ATOM 0 H LEU A 12 15.984 -1.733 0.182 1.00 0.00 H new ATOM 0 HA LEU A 12 13.488 -1.150 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 12 14.294 0.722 2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 12 15.796 -0.165 2.017 1.00 0.00 H new ATOM 0 HG LEU A 12 16.131 2.101 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 12 16.952 1.723 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 12 17.280 0.318 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 12 15.930 0.271 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 12 15.006 3.178 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.933 1.769 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.872 2.752 0.851 1.00 0.00 H new ATOM 206 N TYR A 13 13.363 -1.101 -1.402 1.00 0.00 N ATOM 207 CA TYR A 13 12.508 -1.077 -2.589 1.00 0.00 C ATOM 208 C TYR A 13 11.584 -2.311 -2.714 1.00 0.00 C ATOM 209 O TYR A 13 10.497 -2.208 -3.280 1.00 0.00 O ATOM 210 CB TYR A 13 13.452 -0.922 -3.794 1.00 0.00 C ATOM 211 CG TYR A 13 14.187 0.410 -3.781 1.00 0.00 C ATOM 212 CD1 TYR A 13 13.462 1.593 -3.556 1.00 0.00 C ATOM 213 CD2 TYR A 13 15.592 0.469 -3.872 1.00 0.00 C ATOM 214 CE1 TYR A 13 14.128 2.804 -3.315 1.00 0.00 C ATOM 215 CE2 TYR A 13 16.255 1.698 -3.687 1.00 0.00 C ATOM 216 CZ TYR A 13 15.530 2.860 -3.384 1.00 0.00 C ATOM 217 OH TYR A 13 16.174 4.035 -3.142 1.00 0.00 O ATOM 0 H TYR A 13 14.231 -1.607 -1.580 1.00 0.00 H new ATOM 0 HA TYR A 13 11.807 -0.244 -2.527 1.00 0.00 H new ATOM 0 HB2 TYR A 13 14.178 -1.735 -3.792 1.00 0.00 H new ATOM 0 HB3 TYR A 13 12.878 -1.009 -4.717 1.00 0.00 H new ATOM 0 HD1 TYR A 13 12.382 1.569 -3.569 1.00 0.00 H new ATOM 0 HD2 TYR A 13 16.159 -0.426 -4.083 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.563 3.693 -3.076 1.00 0.00 H new ATOM 0 HE2 TYR A 13 17.330 1.746 -3.779 1.00 0.00 H new ATOM 0 HH TYR A 13 17.141 3.902 -3.229 1.00 0.00 H new ATOM 227 N GLU A 14 11.947 -3.457 -2.123 1.00 0.00 N ATOM 228 CA GLU A 14 11.046 -4.605 -1.836 1.00 0.00 C ATOM 229 C GLU A 14 10.144 -4.357 -0.622 1.00 0.00 C ATOM 230 O GLU A 14 8.965 -4.703 -0.635 1.00 0.00 O ATOM 231 CB GLU A 14 11.876 -5.880 -1.623 1.00 0.00 C ATOM 232 CG GLU A 14 11.005 -7.132 -1.486 1.00 0.00 C ATOM 233 CD GLU A 14 11.881 -8.376 -1.427 1.00 0.00 C ATOM 234 OE1 GLU A 14 12.408 -8.685 -0.337 1.00 0.00 O ATOM 235 OE2 GLU A 14 12.030 -9.046 -2.475 1.00 0.00 O ATOM 0 H GLU A 14 12.905 -3.626 -1.817 1.00 0.00 H new ATOM 0 HA GLU A 14 10.393 -4.726 -2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.561 -6.008 -2.461 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.487 -5.767 -0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.396 -7.064 -0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.319 -7.201 -2.330 1.00 0.00 H new ATOM 242 N ALA A 15 10.681 -3.648 0.374 1.00 0.00 N ATOM 243 CA ALA A 15 10.007 -3.144 1.584 1.00 0.00 C ATOM 244 C ALA A 15 8.633 -2.499 1.329 1.00 0.00 C ATOM 245 O ALA A 15 7.686 -2.610 2.108 1.00 0.00 O ATOM 246 CB ALA A 15 10.886 -2.019 2.128 1.00 0.00 C ATOM 0 H ALA A 15 11.668 -3.390 0.360 1.00 0.00 H new ATOM 0 HA ALA A 15 9.860 -3.998 2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.433 -1.607 3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.874 -2.412 2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.979 -1.234 1.377 1.00 0.00 H new ATOM 252 N SER A 16 8.576 -1.809 0.193 1.00 0.00 N ATOM 253 CA SER A 16 7.500 -0.949 -0.267 1.00 0.00 C ATOM 254 C SER A 16 6.154 -1.691 -0.396 1.00 0.00 C ATOM 255 O SER A 16 5.081 -1.147 -0.122 1.00 0.00 O ATOM 256 CB SER A 16 7.950 -0.517 -1.668 1.00 0.00 C ATOM 257 OG SER A 16 8.719 0.662 -1.701 1.00 0.00 O ATOM 0 H SER A 16 9.343 -1.842 -0.479 1.00 0.00 H new ATOM 0 HA SER A 16 7.333 -0.132 0.435 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.529 -1.325 -2.114 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.067 -0.376 -2.291 1.00 0.00 H new ATOM 0 HG SER A 16 9.225 0.699 -2.540 1.00 0.00 H new ATOM 263 N ILE A 17 6.225 -2.953 -0.805 1.00 0.00 N ATOM 264 CA ILE A 17 5.147 -3.744 -1.439 1.00 0.00 C ATOM 265 C ILE A 17 4.963 -5.118 -0.722 1.00 0.00 C ATOM 266 O ILE A 17 4.128 -5.943 -1.100 1.00 0.00 O ATOM 267 CB ILE A 17 5.492 -3.790 -2.973 1.00 0.00 C ATOM 268 CG1 ILE A 17 4.816 -2.704 -3.877 1.00 0.00 C ATOM 269 CG2 ILE A 17 5.314 -5.147 -3.677 1.00 0.00 C ATOM 270 CD1 ILE A 17 4.268 -1.427 -3.235 1.00 0.00 C ATOM 0 H ILE A 17 7.083 -3.494 -0.702 1.00 0.00 H new ATOM 0 HA ILE A 17 4.158 -3.297 -1.335 1.00 0.00 H new ATOM 0 HB ILE A 17 6.556 -3.569 -2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.545 -2.405 -4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.992 -3.184 -4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.583 -5.049 -4.729 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.958 -5.889 -3.205 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.275 -5.465 -3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.836 -0.789 -4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.500 -1.687 -2.506 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.077 -0.895 -2.735 1.00 0.00 H new ATOM 282 N ASP A 18 5.696 -5.350 0.378 1.00 0.00 N ATOM 283 CA ASP A 18 5.753 -6.631 1.114 1.00 0.00 C ATOM 284 C ASP A 18 4.476 -6.990 1.902 1.00 0.00 C ATOM 285 O ASP A 18 4.171 -8.175 2.083 1.00 0.00 O ATOM 286 CB ASP A 18 6.964 -6.605 2.065 1.00 0.00 C ATOM 287 CG ASP A 18 7.229 -7.958 2.766 1.00 0.00 C ATOM 288 OD1 ASP A 18 7.617 -8.928 2.072 1.00 0.00 O ATOM 289 OD2 ASP A 18 7.088 -8.039 4.010 1.00 0.00 O ATOM 0 H ASP A 18 6.286 -4.631 0.796 1.00 0.00 H new ATOM 0 HA ASP A 18 5.849 -7.411 0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.852 -6.317 1.502 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.804 -5.838 2.823 1.00 0.00 H new ATOM 294 N GLU A 19 3.712 -5.974 2.329 1.00 0.00 N ATOM 295 CA GLU A 19 2.456 -6.115 3.122 1.00 0.00 C ATOM 296 C GLU A 19 1.320 -5.194 2.669 1.00 0.00 C ATOM 297 O GLU A 19 0.172 -5.614 2.636 1.00 0.00 O ATOM 298 CB GLU A 19 2.704 -5.844 4.618 1.00 0.00 C ATOM 299 CG GLU A 19 3.672 -6.834 5.266 1.00 0.00 C ATOM 300 CD GLU A 19 3.769 -6.554 6.758 1.00 0.00 C ATOM 301 OE1 GLU A 19 4.553 -5.666 7.158 1.00 0.00 O ATOM 302 OE2 GLU A 19 3.055 -7.227 7.535 1.00 0.00 O ATOM 0 H GLU A 19 3.946 -5.001 2.133 1.00 0.00 H new ATOM 0 HA GLU A 19 2.148 -7.147 2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.097 -4.834 4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.752 -5.879 5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.329 -7.855 5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.656 -6.749 4.806 1.00 0.00 H new ATOM 309 N PHE A 20 1.639 -3.969 2.249 1.00 0.00 N ATOM 310 CA PHE A 20 0.721 -2.946 1.730 1.00 0.00 C ATOM 311 C PHE A 20 -0.032 -3.398 0.476 1.00 0.00 C ATOM 312 O PHE A 20 -1.246 -3.348 0.402 1.00 0.00 O ATOM 313 CB PHE A 20 1.602 -1.727 1.385 1.00 0.00 C ATOM 314 CG PHE A 20 0.972 -0.375 1.644 1.00 0.00 C ATOM 315 CD1 PHE A 20 -0.306 -0.074 1.139 1.00 0.00 C ATOM 316 CD2 PHE A 20 1.711 0.604 2.326 1.00 0.00 C ATOM 317 CE1 PHE A 20 -0.836 1.209 1.291 1.00 0.00 C ATOM 318 CE2 PHE A 20 1.180 1.891 2.487 1.00 0.00 C ATOM 319 CZ PHE A 20 -0.088 2.193 1.961 1.00 0.00 C ATOM 0 H PHE A 20 2.605 -3.641 2.262 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.042 -2.728 2.477 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.526 -1.794 1.959 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.876 -1.785 0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.879 -0.837 0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.686 0.366 2.726 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.814 1.444 0.897 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.743 2.648 3.013 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.491 3.189 2.072 1.00 0.00 H new ATOM 329 N MET A 21 0.660 -3.956 -0.496 1.00 0.00 N ATOM 330 CA MET A 21 0.020 -4.552 -1.684 1.00 0.00 C ATOM 331 C MET A 21 -0.933 -5.712 -1.330 1.00 0.00 C ATOM 332 O MET A 21 -1.929 -5.952 -2.007 1.00 0.00 O ATOM 333 CB MET A 21 1.078 -5.027 -2.683 1.00 0.00 C ATOM 334 CG MET A 21 1.471 -3.879 -3.605 1.00 0.00 C ATOM 335 SD MET A 21 0.179 -3.242 -4.710 1.00 0.00 S ATOM 336 CE MET A 21 -0.682 -4.738 -5.265 1.00 0.00 C ATOM 0 H MET A 21 1.678 -4.017 -0.499 1.00 0.00 H new ATOM 0 HA MET A 21 -0.584 -3.767 -2.139 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.955 -5.394 -2.150 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.690 -5.860 -3.269 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.828 -3.054 -2.988 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.311 -4.207 -4.217 1.00 0.00 H new ATOM 0 HE1 MET A 21 -1.127 -4.560 -6.244 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.028 -5.562 -5.334 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.465 -4.993 -4.551 1.00 0.00 H new ATOM 346 N GLY A 22 -0.674 -6.397 -0.220 1.00 0.00 N ATOM 347 CA GLY A 22 -1.615 -7.315 0.415 1.00 0.00 C ATOM 348 C GLY A 22 -2.822 -6.586 1.009 1.00 0.00 C ATOM 349 O GLY A 22 -3.937 -7.067 0.901 1.00 0.00 O ATOM 0 H GLY A 22 0.216 -6.328 0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.958 -8.045 -0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.104 -7.869 1.202 1.00 0.00 H new ATOM 353 N LYS A 23 -2.629 -5.416 1.616 1.00 0.00 N ATOM 354 CA LYS A 23 -3.588 -4.551 2.242 1.00 0.00 C ATOM 355 C LYS A 23 -4.591 -4.060 1.184 1.00 0.00 C ATOM 356 O LYS A 23 -5.802 -4.116 1.372 1.00 0.00 O ATOM 357 CB LYS A 23 -2.845 -3.654 3.240 1.00 0.00 C ATOM 358 CG LYS A 23 -2.724 -2.190 2.936 1.00 0.00 C ATOM 359 CD LYS A 23 -1.909 -1.492 4.040 1.00 0.00 C ATOM 360 CE LYS A 23 -2.788 -1.297 5.277 1.00 0.00 C ATOM 361 NZ LYS A 23 -2.016 -1.222 6.542 1.00 0.00 N ATOM 0 H LYS A 23 -1.690 -5.022 1.680 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.314 -4.988 2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.341 -3.752 4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.837 -4.052 3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.240 -2.049 1.970 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.715 -1.741 2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.033 -2.090 4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.545 -0.528 3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.369 -0.383 5.160 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.499 -2.121 5.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.651 -1.396 7.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.264 -1.940 6.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.591 -0.277 6.634 1.00 0.00 H new ATOM 375 N ILE A 24 -4.057 -3.695 0.011 1.00 0.00 N ATOM 376 CA ILE A 24 -4.805 -3.337 -1.213 1.00 0.00 C ATOM 377 C ILE A 24 -5.629 -4.529 -1.646 1.00 0.00 C ATOM 378 O ILE A 24 -6.841 -4.454 -1.848 1.00 0.00 O ATOM 379 CB ILE A 24 -3.829 -3.149 -2.435 1.00 0.00 C ATOM 380 CG1 ILE A 24 -2.819 -2.019 -2.291 1.00 0.00 C ATOM 381 CG2 ILE A 24 -4.598 -3.089 -3.777 1.00 0.00 C ATOM 382 CD1 ILE A 24 -3.606 -0.760 -2.212 1.00 0.00 C ATOM 0 H ILE A 24 -3.047 -3.637 -0.122 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.378 -2.439 -0.982 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.213 -4.048 -2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.211 -2.153 -1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.136 -1.998 -3.141 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.891 -2.959 -4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.153 -4.016 -3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.293 -2.250 -3.761 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.928 0.087 -2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.196 -0.642 -3.121 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.272 -0.800 -1.350 1.00 0.00 H new ATOM 394 N ALA A 25 -4.926 -5.637 -1.803 1.00 0.00 N ATOM 395 CA ALA A 25 -5.477 -6.801 -2.476 1.00 0.00 C ATOM 396 C ALA A 25 -6.544 -7.483 -1.602 1.00 0.00 C ATOM 397 O ALA A 25 -7.452 -8.139 -2.115 1.00 0.00 O ATOM 398 CB ALA A 25 -4.360 -7.773 -2.868 1.00 0.00 C ATOM 0 H ALA A 25 -3.968 -5.756 -1.472 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.968 -6.474 -3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.791 -8.639 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.662 -7.273 -3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.831 -8.100 -1.973 1.00 0.00 H new ATOM 404 N SER A 26 -6.448 -7.247 -0.287 1.00 0.00 N ATOM 405 CA SER A 26 -7.263 -7.818 0.776 1.00 0.00 C ATOM 406 C SER A 26 -8.240 -6.816 1.408 1.00 0.00 C ATOM 407 O SER A 26 -8.738 -7.035 2.518 1.00 0.00 O ATOM 408 CB SER A 26 -6.401 -8.539 1.822 1.00 0.00 C ATOM 409 OG SER A 26 -6.089 -7.703 2.926 1.00 0.00 O ATOM 0 H SER A 26 -5.746 -6.605 0.081 1.00 0.00 H new ATOM 0 HA SER A 26 -7.896 -8.569 0.302 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.928 -9.425 2.176 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.478 -8.882 1.356 1.00 0.00 H new ATOM 0 HG SER A 26 -5.279 -7.188 2.728 1.00 0.00 H new ATOM 415 N CYS A 27 -8.437 -5.650 0.791 1.00 0.00 N ATOM 416 CA CYS A 27 -9.151 -4.541 1.395 1.00 0.00 C ATOM 417 C CYS A 27 -10.651 -4.854 1.644 1.00 0.00 C ATOM 418 O CYS A 27 -11.325 -4.210 2.447 1.00 0.00 O ATOM 419 CB CYS A 27 -8.977 -3.329 0.475 1.00 0.00 C ATOM 420 SG CYS A 27 -9.732 -3.620 -1.117 1.00 0.00 S ATOM 0 H CYS A 27 -8.099 -5.454 -0.151 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.736 -4.340 2.382 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -9.424 -2.449 0.938 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.916 -3.116 0.345 1.00 0.00 H new ATOM 0 HG CYS A 27 -8.829 -4.030 -1.957 1.00 0.00 H new ATOM 426 N GLN A 28 -11.158 -5.865 0.916 1.00 0.00 N ATOM 427 CA GLN A 28 -12.493 -6.521 0.897 1.00 0.00 C ATOM 428 C GLN A 28 -13.723 -5.630 0.656 1.00 0.00 C ATOM 429 O GLN A 28 -14.840 -6.119 0.469 1.00 0.00 O ATOM 430 CB GLN A 28 -12.707 -7.293 2.207 1.00 0.00 C ATOM 431 CG GLN A 28 -11.738 -8.454 2.404 1.00 0.00 C ATOM 432 CD GLN A 28 -11.571 -8.729 3.882 1.00 0.00 C ATOM 433 OE1 GLN A 28 -12.340 -9.462 4.498 1.00 0.00 O ATOM 434 NE2 GLN A 28 -10.593 -8.098 4.503 1.00 0.00 N ATOM 0 H GLN A 28 -10.556 -6.310 0.223 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.441 -7.163 0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.607 -6.603 3.045 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.727 -7.676 2.229 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.113 -9.344 1.898 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.773 -8.216 1.957 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.962 -7.493 3.978 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.468 -8.216 5.508 1.00 0.00 H new ATOM 443 N THR A 29 -13.534 -4.321 0.685 1.00 0.00 N ATOM 444 CA THR A 29 -14.578 -3.289 0.729 1.00 0.00 C ATOM 445 C THR A 29 -14.006 -2.043 0.122 1.00 0.00 C ATOM 446 O THR A 29 -12.830 -1.748 0.355 1.00 0.00 O ATOM 447 CB THR A 29 -14.968 -2.947 2.182 1.00 0.00 C ATOM 448 OG1 THR A 29 -13.831 -2.810 3.018 1.00 0.00 O ATOM 449 CG2 THR A 29 -15.900 -3.971 2.818 1.00 0.00 C ATOM 0 H THR A 29 -12.597 -3.919 0.678 1.00 0.00 H new ATOM 0 HA THR A 29 -15.457 -3.655 0.198 1.00 0.00 H new ATOM 0 HB THR A 29 -15.496 -1.997 2.104 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.087 -3.329 2.646 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.132 -3.667 3.839 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.821 -4.033 2.239 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.414 -4.946 2.832 1.00 0.00 H new ATOM 457 N LEU A 30 -14.790 -1.282 -0.637 1.00 0.00 N ATOM 458 CA LEU A 30 -14.232 -0.049 -1.164 1.00 0.00 C ATOM 459 C LEU A 30 -14.059 0.962 -0.048 1.00 0.00 C ATOM 460 O LEU A 30 -13.132 1.739 0.005 1.00 0.00 O ATOM 461 CB LEU A 30 -15.132 0.598 -2.193 1.00 0.00 C ATOM 462 CG LEU A 30 -14.187 1.583 -2.898 1.00 0.00 C ATOM 463 CD1 LEU A 30 -13.808 1.185 -4.257 1.00 0.00 C ATOM 464 CD2 LEU A 30 -14.759 2.944 -2.907 1.00 0.00 C ATOM 0 H LEU A 30 -15.758 -1.483 -0.888 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.281 -0.319 -1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.545 -0.134 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.976 1.108 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.268 1.572 -2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.140 1.934 -4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.299 0.222 -4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.702 1.103 -4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.072 3.624 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.713 2.934 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.915 3.280 -1.882 1.00 0.00 H new ATOM 476 N GLU A 31 -15.007 0.907 0.850 1.00 0.00 N ATOM 477 CA GLU A 31 -15.137 1.752 1.994 1.00 0.00 C ATOM 478 C GLU A 31 -13.967 1.591 2.941 1.00 0.00 C ATOM 479 O GLU A 31 -13.487 2.564 3.511 1.00 0.00 O ATOM 480 CB GLU A 31 -16.460 1.290 2.604 1.00 0.00 C ATOM 481 CG GLU A 31 -17.047 2.370 3.457 1.00 0.00 C ATOM 482 CD GLU A 31 -18.292 1.901 4.191 1.00 0.00 C ATOM 483 OE1 GLU A 31 -19.402 2.024 3.627 1.00 0.00 O ATOM 484 OE2 GLU A 31 -18.155 1.419 5.339 1.00 0.00 O ATOM 0 H GLU A 31 -15.758 0.220 0.791 1.00 0.00 H new ATOM 0 HA GLU A 31 -15.135 2.816 1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.159 1.023 1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.298 0.393 3.202 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.304 2.705 4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.295 3.229 2.834 1.00 0.00 H new ATOM 491 N GLY A 32 -13.471 0.359 3.037 1.00 0.00 N ATOM 492 CA GLY A 32 -12.161 0.072 3.587 1.00 0.00 C ATOM 493 C GLY A 32 -10.979 0.450 2.724 1.00 0.00 C ATOM 494 O GLY A 32 -10.063 1.059 3.234 1.00 0.00 O ATOM 0 H GLY A 32 -13.977 -0.472 2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.069 0.591 4.541 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.104 -0.996 3.798 1.00 0.00 H new ATOM 498 N LEU A 33 -10.996 0.210 1.423 1.00 0.00 N ATOM 499 CA LEU A 33 -9.928 0.589 0.499 1.00 0.00 C ATOM 500 C LEU A 33 -9.633 2.078 0.467 1.00 0.00 C ATOM 501 O LEU A 33 -8.493 2.499 0.438 1.00 0.00 O ATOM 502 CB LEU A 33 -10.442 0.153 -0.871 1.00 0.00 C ATOM 503 CG LEU A 33 -9.563 0.526 -2.063 1.00 0.00 C ATOM 504 CD1 LEU A 33 -8.096 0.196 -1.906 1.00 0.00 C ATOM 505 CD2 LEU A 33 -10.011 -0.257 -3.259 1.00 0.00 C ATOM 0 H LEU A 33 -11.772 -0.266 0.963 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.992 0.122 0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.569 -0.930 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.430 0.588 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.668 1.607 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.557 0.499 -2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.694 0.728 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.978 -0.877 -1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.390 0.002 -4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.918 -1.323 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.052 -0.020 -3.480 1.00 0.00 H new ATOM 517 N GLU A 34 -10.690 2.852 0.527 1.00 0.00 N ATOM 518 CA GLU A 34 -10.786 4.284 0.764 1.00 0.00 C ATOM 519 C GLU A 34 -10.263 4.745 2.134 1.00 0.00 C ATOM 520 O GLU A 34 -9.704 5.833 2.256 1.00 0.00 O ATOM 521 CB GLU A 34 -12.261 4.626 0.676 1.00 0.00 C ATOM 522 CG GLU A 34 -12.756 4.770 -0.763 1.00 0.00 C ATOM 523 CD GLU A 34 -12.365 6.121 -1.351 1.00 0.00 C ATOM 524 OE1 GLU A 34 -11.191 6.311 -1.727 1.00 0.00 O ATOM 525 OE2 GLU A 34 -13.250 6.999 -1.460 1.00 0.00 O ATOM 0 H GLU A 34 -11.618 2.450 0.396 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.163 4.789 0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.839 3.849 1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.445 5.557 1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.339 3.970 -1.375 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.840 4.659 -0.790 1.00 0.00 H new ATOM 532 N GLU A 35 -10.423 3.911 3.166 1.00 0.00 N ATOM 533 CA GLU A 35 -9.785 4.082 4.501 1.00 0.00 C ATOM 534 C GLU A 35 -8.307 3.739 4.452 1.00 0.00 C ATOM 535 O GLU A 35 -7.514 4.466 5.030 1.00 0.00 O ATOM 536 CB GLU A 35 -10.405 3.234 5.624 1.00 0.00 C ATOM 537 CG GLU A 35 -11.843 3.608 5.941 1.00 0.00 C ATOM 538 CD GLU A 35 -11.899 4.566 7.123 1.00 0.00 C ATOM 539 OE1 GLU A 35 -11.927 4.088 8.279 1.00 0.00 O ATOM 540 OE2 GLU A 35 -11.925 5.798 6.900 1.00 0.00 O ATOM 0 H GLU A 35 -11.009 3.078 3.109 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.952 5.133 4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.366 2.183 5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.802 3.343 6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.305 4.071 5.069 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.417 2.709 6.167 1.00 0.00 H new ATOM 547 N LEU A 36 -7.940 2.703 3.698 1.00 0.00 N ATOM 548 CA LEU A 36 -6.565 2.385 3.319 1.00 0.00 C ATOM 549 C LEU A 36 -5.976 3.532 2.491 1.00 0.00 C ATOM 550 O LEU A 36 -4.815 3.873 2.662 1.00 0.00 O ATOM 551 CB LEU A 36 -6.364 1.066 2.536 1.00 0.00 C ATOM 552 CG LEU A 36 -7.005 -0.185 3.103 1.00 0.00 C ATOM 553 CD1 LEU A 36 -6.835 -1.330 2.118 1.00 0.00 C ATOM 554 CD2 LEU A 36 -6.327 -0.543 4.393 1.00 0.00 C ATOM 0 H LEU A 36 -8.617 2.039 3.321 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.050 2.248 4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.746 1.212 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.293 0.886 2.449 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.066 -0.006 3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.295 -2.231 2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.314 -1.072 1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.773 -1.510 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.783 -1.442 4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.268 -0.725 4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.436 0.278 5.102 1.00 0.00 H new ATOM 566 N GLU A 37 -6.771 4.170 1.630 1.00 0.00 N ATOM 567 CA GLU A 37 -6.364 5.273 0.765 1.00 0.00 C ATOM 568 C GLU A 37 -6.023 6.505 1.559 1.00 0.00 C ATOM 569 O GLU A 37 -4.989 7.137 1.363 1.00 0.00 O ATOM 570 CB GLU A 37 -7.475 5.655 -0.203 1.00 0.00 C ATOM 571 CG GLU A 37 -6.973 6.196 -1.529 1.00 0.00 C ATOM 572 CD GLU A 37 -6.637 7.680 -1.558 1.00 0.00 C ATOM 573 OE1 GLU A 37 -7.190 8.471 -0.764 1.00 0.00 O ATOM 574 OE2 GLU A 37 -5.855 8.056 -2.458 1.00 0.00 O ATOM 0 H GLU A 37 -7.753 3.921 1.514 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.487 4.921 0.222 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.098 4.780 -0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.112 6.405 0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.082 5.636 -1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.729 6.000 -2.289 1.00 0.00 H new ATOM 581 N ALA A 38 -6.887 6.788 2.523 1.00 0.00 N ATOM 582 CA ALA A 38 -6.597 7.800 3.497 1.00 0.00 C ATOM 583 C ALA A 38 -5.398 7.382 4.367 1.00 0.00 C ATOM 584 O ALA A 38 -4.450 8.145 4.454 1.00 0.00 O ATOM 585 CB ALA A 38 -7.839 8.092 4.341 1.00 0.00 C ATOM 0 H ALA A 38 -7.789 6.326 2.642 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.321 8.721 2.984 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.606 8.862 5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.645 8.440 3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.152 7.183 4.854 1.00 0.00 H new ATOM 591 N TYR A 39 -5.342 6.153 4.902 1.00 0.00 N ATOM 592 CA TYR A 39 -4.266 5.732 5.811 1.00 0.00 C ATOM 593 C TYR A 39 -2.890 5.762 5.101 1.00 0.00 C ATOM 594 O TYR A 39 -1.881 6.146 5.698 1.00 0.00 O ATOM 595 CB TYR A 39 -4.543 4.328 6.393 1.00 0.00 C ATOM 596 CG TYR A 39 -3.332 3.406 6.402 1.00 0.00 C ATOM 597 CD1 TYR A 39 -2.422 3.412 7.473 1.00 0.00 C ATOM 598 CD2 TYR A 39 -3.027 2.683 5.239 1.00 0.00 C ATOM 599 CE1 TYR A 39 -1.181 2.751 7.341 1.00 0.00 C ATOM 600 CE2 TYR A 39 -1.770 2.094 5.074 1.00 0.00 C ATOM 601 CZ TYR A 39 -0.839 2.133 6.122 1.00 0.00 C ATOM 602 OH TYR A 39 0.386 1.561 5.971 1.00 0.00 O ATOM 0 H TYR A 39 -6.036 5.428 4.718 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.239 6.443 6.637 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.911 4.436 7.413 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.339 3.858 5.815 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.671 3.920 8.393 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.771 2.580 4.463 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.494 2.719 8.174 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.517 1.610 4.142 1.00 0.00 H new ATOM 0 HH TYR A 39 0.654 1.605 5.029 1.00 0.00 H new ATOM 612 N TYR A 40 -2.880 5.466 3.804 1.00 0.00 N ATOM 613 CA TYR A 40 -1.744 5.578 2.894 1.00 0.00 C ATOM 614 C TYR A 40 -1.290 7.036 2.877 1.00 0.00 C ATOM 615 O TYR A 40 -0.171 7.336 3.288 1.00 0.00 O ATOM 616 CB TYR A 40 -2.257 5.145 1.503 1.00 0.00 C ATOM 617 CG TYR A 40 -1.512 5.631 0.279 1.00 0.00 C ATOM 618 CD1 TYR A 40 -0.143 5.367 0.070 1.00 0.00 C ATOM 619 CD2 TYR A 40 -2.233 6.363 -0.683 1.00 0.00 C ATOM 620 CE1 TYR A 40 0.480 5.811 -1.112 1.00 0.00 C ATOM 621 CE2 TYR A 40 -1.590 6.873 -1.813 1.00 0.00 C ATOM 622 CZ TYR A 40 -0.238 6.583 -2.040 1.00 0.00 C ATOM 623 OH TYR A 40 0.340 7.051 -3.175 1.00 0.00 O ATOM 0 H TYR A 40 -3.716 5.121 3.332 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.900 4.957 3.194 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.265 4.055 1.476 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.293 5.473 1.414 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.425 4.827 0.813 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.291 6.531 -0.546 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.512 5.557 -1.305 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.135 7.491 -2.512 1.00 0.00 H new ATOM 0 HH TYR A 40 1.206 7.456 -2.958 1.00 0.00 H new ATOM 633 N LYS A 41 -2.189 7.963 2.558 1.00 0.00 N ATOM 634 CA LYS A 41 -1.851 9.388 2.540 1.00 0.00 C ATOM 635 C LYS A 41 -1.444 9.951 3.916 1.00 0.00 C ATOM 636 O LYS A 41 -0.534 10.770 4.006 1.00 0.00 O ATOM 637 CB LYS A 41 -3.015 10.174 1.959 1.00 0.00 C ATOM 638 CG LYS A 41 -3.374 9.663 0.553 1.00 0.00 C ATOM 639 CD LYS A 41 -2.945 10.575 -0.598 1.00 0.00 C ATOM 640 CE LYS A 41 -1.428 10.520 -0.725 1.00 0.00 C ATOM 641 NZ LYS A 41 -0.858 11.747 -1.325 1.00 0.00 N ATOM 0 H LYS A 41 -3.156 7.756 2.308 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.968 9.497 1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.881 10.087 2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.757 11.232 1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.915 8.684 0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.453 9.520 0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.414 10.255 -1.529 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.272 11.598 -0.412 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.991 10.366 0.262 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.150 9.660 -1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.176 11.655 -1.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.252 11.883 -2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.097 12.567 -0.732 1.00 0.00 H new ATOM 655 N LYS A 42 -2.094 9.509 4.999 1.00 0.00 N ATOM 656 CA LYS A 42 -1.938 9.900 6.393 1.00 0.00 C ATOM 657 C LYS A 42 -0.577 9.482 6.967 1.00 0.00 C ATOM 658 O LYS A 42 0.099 10.274 7.624 1.00 0.00 O ATOM 659 CB LYS A 42 -3.078 9.158 7.110 1.00 0.00 C ATOM 660 CG LYS A 42 -4.476 9.759 6.920 1.00 0.00 C ATOM 661 CD LYS A 42 -4.755 11.019 7.724 1.00 0.00 C ATOM 662 CE LYS A 42 -6.119 11.493 7.210 1.00 0.00 C ATOM 663 NZ LYS A 42 -6.392 12.901 7.572 1.00 0.00 N ATOM 0 H LYS A 42 -2.816 8.795 4.903 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.978 10.982 6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.094 8.126 6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.855 9.129 8.177 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.617 9.984 5.863 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.217 9.006 7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.782 10.812 8.794 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.984 11.773 7.564 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.155 11.384 6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.902 10.855 7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.324 13.179 7.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.384 13.001 8.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.660 13.514 7.159 1.00 0.00 H new ATOM 677 N ARG A 43 -0.172 8.237 6.727 1.00 0.00 N ATOM 678 CA ARG A 43 1.132 7.718 7.130 1.00 0.00 C ATOM 679 C ARG A 43 2.309 8.297 6.347 1.00 0.00 C ATOM 680 O ARG A 43 3.324 8.620 6.932 1.00 0.00 O ATOM 681 CB ARG A 43 1.116 6.189 7.045 1.00 0.00 C ATOM 682 CG ARG A 43 2.377 5.588 7.688 1.00 0.00 C ATOM 683 CD ARG A 43 2.451 4.080 7.428 1.00 0.00 C ATOM 684 NE ARG A 43 3.645 3.481 8.055 1.00 0.00 N ATOM 685 CZ ARG A 43 3.931 2.189 8.099 1.00 0.00 C ATOM 686 NH1 ARG A 43 3.146 1.284 7.573 1.00 0.00 N ATOM 687 NH2 ARG A 43 5.025 1.773 8.681 1.00 0.00 N ATOM 0 H ARG A 43 -0.749 7.551 6.240 1.00 0.00 H new ATOM 0 HA ARG A 43 1.294 8.040 8.159 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.229 5.803 7.546 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.053 5.880 6.002 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.265 6.076 7.285 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.369 5.777 8.761 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.554 3.598 7.817 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.471 3.895 6.354 1.00 0.00 H new ATOM 0 HE ARG A 43 4.309 4.119 8.494 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.282 1.565 7.110 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.398 0.297 7.626 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.664 2.445 9.105 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.239 0.776 8.711 1.00 0.00 H new ATOM 701 N VAL A 44 2.240 8.406 5.024 1.00 0.00 N ATOM 702 CA VAL A 44 3.385 8.533 4.120 1.00 0.00 C ATOM 703 C VAL A 44 4.358 9.676 4.390 1.00 0.00 C ATOM 704 O VAL A 44 5.573 9.535 4.244 1.00 0.00 O ATOM 705 CB VAL A 44 2.747 8.553 2.725 1.00 0.00 C ATOM 706 CG1 VAL A 44 3.370 9.421 1.660 1.00 0.00 C ATOM 707 CG2 VAL A 44 2.699 7.085 2.355 1.00 0.00 C ATOM 0 H VAL A 44 1.348 8.409 4.529 1.00 0.00 H new ATOM 0 HA VAL A 44 4.074 7.701 4.262 1.00 0.00 H new ATOM 0 HB VAL A 44 1.777 9.048 2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.803 9.324 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.358 10.461 1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.399 9.106 1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.257 6.974 1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.710 6.678 2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.096 6.545 3.085 1.00 0.00 H new ATOM 717 N LYS A 45 3.815 10.770 4.895 1.00 0.00 N ATOM 718 CA LYS A 45 4.551 11.925 5.409 1.00 0.00 C ATOM 719 C LYS A 45 5.388 11.663 6.692 1.00 0.00 C ATOM 720 O LYS A 45 6.434 12.271 6.929 1.00 0.00 O ATOM 721 CB LYS A 45 3.491 12.991 5.659 1.00 0.00 C ATOM 722 CG LYS A 45 2.633 12.588 6.864 1.00 0.00 C ATOM 723 CD LYS A 45 1.310 13.353 6.996 1.00 0.00 C ATOM 724 CE LYS A 45 0.318 12.782 5.982 1.00 0.00 C ATOM 725 NZ LYS A 45 0.185 13.613 4.760 1.00 0.00 N ATOM 0 H LYS A 45 2.804 10.888 4.964 1.00 0.00 H new ATOM 0 HA LYS A 45 5.305 12.221 4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.966 13.955 5.844 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.863 13.109 4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.415 11.522 6.797 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.215 12.738 7.773 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.916 13.257 8.008 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.467 14.416 6.815 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.636 11.779 5.698 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.659 12.685 6.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.673 14.196 4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.017 14.230 4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.118 12.995 3.926 1.00 0.00 H new ATOM 739 N GLU A 46 4.860 10.761 7.530 1.00 0.00 N ATOM 740 CA GLU A 46 5.296 10.264 8.848 1.00 0.00 C ATOM 741 C GLU A 46 6.378 9.195 8.737 1.00 0.00 C ATOM 742 O GLU A 46 7.008 8.803 9.724 1.00 0.00 O ATOM 743 CB GLU A 46 4.070 9.720 9.569 1.00 0.00 C ATOM 744 CG GLU A 46 4.192 9.678 11.071 1.00 0.00 C ATOM 745 CD GLU A 46 4.486 11.035 11.705 1.00 0.00 C ATOM 746 OE1 GLU A 46 3.584 11.904 11.711 1.00 0.00 O ATOM 747 OE2 GLU A 46 5.608 11.221 12.232 1.00 0.00 O ATOM 0 H GLU A 46 3.993 10.296 7.262 1.00 0.00 H new ATOM 0 HA GLU A 46 5.742 11.085 9.410 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.208 10.332 9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.869 8.712 9.206 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.266 9.285 11.490 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.985 8.982 11.342 1.00 0.00 H new ATOM 754 N THR A 47 6.584 8.741 7.509 1.00 0.00 N ATOM 755 CA THR A 47 7.478 7.638 7.158 1.00 0.00 C ATOM 756 C THR A 47 8.245 7.896 5.843 1.00 0.00 C ATOM 757 O THR A 47 8.548 9.045 5.509 1.00 0.00 O ATOM 758 CB THR A 47 6.692 6.305 7.199 1.00 0.00 C ATOM 759 OG1 THR A 47 7.513 5.160 7.113 1.00 0.00 O ATOM 760 CG2 THR A 47 5.629 6.235 6.109 1.00 0.00 C ATOM 0 H THR A 47 6.117 9.144 6.696 1.00 0.00 H new ATOM 0 HA THR A 47 8.270 7.561 7.903 1.00 0.00 H new ATOM 0 HB THR A 47 6.214 6.300 8.178 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.956 4.355 7.146 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.102 5.283 6.175 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.920 7.052 6.240 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.104 6.320 5.132 1.00 0.00 H new ATOM 768 N GLU A 48 8.639 6.829 5.128 1.00 0.00 N ATOM 769 CA GLU A 48 9.744 6.774 4.155 1.00 0.00 C ATOM 770 C GLU A 48 9.384 6.113 2.828 1.00 0.00 C ATOM 771 O GLU A 48 10.221 5.538 2.133 1.00 0.00 O ATOM 772 CB GLU A 48 10.998 6.155 4.758 1.00 0.00 C ATOM 773 CG GLU A 48 11.318 6.819 6.089 1.00 0.00 C ATOM 774 CD GLU A 48 12.707 6.424 6.574 1.00 0.00 C ATOM 775 OE1 GLU A 48 12.829 5.359 7.219 1.00 0.00 O ATOM 776 OE2 GLU A 48 13.671 7.180 6.309 1.00 0.00 O ATOM 0 H GLU A 48 8.168 5.929 5.219 1.00 0.00 H new ATOM 0 HA GLU A 48 9.955 7.816 3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.852 5.085 4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.837 6.273 4.073 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.260 7.902 5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.574 6.531 6.832 1.00 0.00 H new ATOM 783 N LEU A 49 8.106 6.222 2.485 1.00 0.00 N ATOM 784 CA LEU A 49 7.593 6.039 1.126 1.00 0.00 C ATOM 785 C LEU A 49 8.431 6.869 0.131 1.00 0.00 C ATOM 786 O LEU A 49 8.714 8.059 0.306 1.00 0.00 O ATOM 787 CB LEU A 49 6.062 6.257 1.139 1.00 0.00 C ATOM 788 CG LEU A 49 5.204 6.662 -0.075 1.00 0.00 C ATOM 789 CD1 LEU A 49 5.752 7.718 -1.024 1.00 0.00 C ATOM 790 CD2 LEU A 49 4.637 5.463 -0.796 1.00 0.00 C ATOM 0 H LEU A 49 7.375 6.446 3.160 1.00 0.00 H new ATOM 0 HA LEU A 49 7.715 5.021 0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.633 5.325 1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.877 7.016 1.899 1.00 0.00 H new ATOM 0 HG LEU A 49 4.388 7.209 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.035 7.894 -1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.920 8.646 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.694 7.371 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.040 5.797 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.452 4.833 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.009 4.891 -0.113 1.00 0.00 H new ATOM 802 N LYS A 50 8.843 6.154 -0.893 1.00 0.00 N ATOM 803 CA LYS A 50 9.632 6.553 -2.046 1.00 0.00 C ATOM 804 C LYS A 50 8.777 6.384 -3.306 1.00 0.00 C ATOM 805 O LYS A 50 7.630 5.938 -3.239 1.00 0.00 O ATOM 806 CB LYS A 50 10.922 5.707 -2.079 1.00 0.00 C ATOM 807 CG LYS A 50 10.745 4.236 -2.500 1.00 0.00 C ATOM 808 CD LYS A 50 11.253 3.268 -1.421 1.00 0.00 C ATOM 809 CE LYS A 50 10.427 3.385 -0.148 1.00 0.00 C ATOM 810 NZ LYS A 50 10.996 2.655 0.999 1.00 0.00 N ATOM 0 H LYS A 50 8.607 5.163 -0.946 1.00 0.00 H new ATOM 0 HA LYS A 50 9.929 7.600 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.627 6.179 -2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.375 5.730 -1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.691 4.039 -2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.283 4.057 -3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.208 2.245 -1.795 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.299 3.481 -1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.330 4.438 0.116 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.422 3.011 -0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.246 2.459 1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.407 1.758 0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.737 3.233 1.445 1.00 0.00 H new ATOM 824 N ASP A 51 9.325 6.668 -4.488 1.00 0.00 N ATOM 825 CA ASP A 51 8.547 6.485 -5.730 1.00 0.00 C ATOM 826 C ASP A 51 8.029 5.039 -5.832 1.00 0.00 C ATOM 827 O ASP A 51 6.861 4.784 -6.096 1.00 0.00 O ATOM 828 CB ASP A 51 9.419 6.829 -6.943 1.00 0.00 C ATOM 829 CG ASP A 51 9.930 8.286 -6.956 1.00 0.00 C ATOM 830 OD1 ASP A 51 9.189 9.185 -7.426 1.00 0.00 O ATOM 831 OD2 ASP A 51 11.075 8.531 -6.500 1.00 0.00 O ATOM 0 H ASP A 51 10.275 7.016 -4.619 1.00 0.00 H new ATOM 0 HA ASP A 51 7.687 7.155 -5.711 1.00 0.00 H new ATOM 0 HB2 ASP A 51 10.275 6.154 -6.965 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.846 6.648 -7.852 1.00 0.00 H new ATOM 836 N THR A 52 8.886 4.083 -5.508 1.00 0.00 N ATOM 837 CA THR A 52 8.671 2.652 -5.707 1.00 0.00 C ATOM 838 C THR A 52 7.455 2.069 -4.990 1.00 0.00 C ATOM 839 O THR A 52 6.726 1.304 -5.626 1.00 0.00 O ATOM 840 CB THR A 52 9.887 1.939 -5.124 1.00 0.00 C ATOM 841 OG1 THR A 52 11.086 2.431 -5.683 1.00 0.00 O ATOM 842 CG2 THR A 52 9.878 0.417 -5.257 1.00 0.00 C ATOM 0 H THR A 52 9.789 4.288 -5.081 1.00 0.00 H new ATOM 0 HA THR A 52 8.511 2.511 -6.776 1.00 0.00 H new ATOM 0 HB THR A 52 9.830 2.161 -4.058 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.850 2.079 -5.180 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.785 0.008 -4.812 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.007 0.012 -4.743 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.836 0.144 -6.311 1.00 0.00 H new ATOM 850 N ASP A 53 7.205 2.383 -3.700 1.00 0.00 N ATOM 851 CA ASP A 53 5.938 1.987 -3.067 1.00 0.00 C ATOM 852 C ASP A 53 4.800 2.714 -3.745 1.00 0.00 C ATOM 853 O ASP A 53 3.811 2.093 -4.135 1.00 0.00 O ATOM 854 CB ASP A 53 5.796 2.204 -1.527 1.00 0.00 C ATOM 855 CG ASP A 53 6.926 2.888 -0.740 1.00 0.00 C ATOM 856 OD1 ASP A 53 7.672 3.692 -1.330 1.00 0.00 O ATOM 857 OD2 ASP A 53 7.031 2.623 0.483 1.00 0.00 O ATOM 0 H ASP A 53 7.847 2.895 -3.095 1.00 0.00 H new ATOM 0 HA ASP A 53 5.917 0.905 -3.197 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.889 2.786 -1.364 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.633 1.226 -1.075 1.00 0.00 H new ATOM 862 N ASP A 54 4.980 4.020 -3.906 1.00 0.00 N ATOM 863 CA ASP A 54 3.849 4.916 -4.087 1.00 0.00 C ATOM 864 C ASP A 54 3.098 4.610 -5.370 1.00 0.00 C ATOM 865 O ASP A 54 1.887 4.443 -5.350 1.00 0.00 O ATOM 866 CB ASP A 54 4.443 6.330 -4.207 1.00 0.00 C ATOM 867 CG ASP A 54 3.381 7.449 -4.185 1.00 0.00 C ATOM 868 OD1 ASP A 54 2.849 7.767 -3.095 1.00 0.00 O ATOM 869 OD2 ASP A 54 3.071 8.004 -5.272 1.00 0.00 O ATOM 0 H ASP A 54 5.892 4.477 -3.915 1.00 0.00 H new ATOM 0 HA ASP A 54 3.152 4.810 -3.255 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.145 6.491 -3.389 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.012 6.399 -5.134 1.00 0.00 H new ATOM 874 N ILE A 55 3.826 4.437 -6.463 1.00 0.00 N ATOM 875 CA ILE A 55 3.196 4.168 -7.766 1.00 0.00 C ATOM 876 C ILE A 55 2.548 2.798 -7.801 1.00 0.00 C ATOM 877 O ILE A 55 1.403 2.640 -8.210 1.00 0.00 O ATOM 878 CB ILE A 55 4.188 4.220 -8.955 1.00 0.00 C ATOM 879 CG1 ILE A 55 5.393 5.152 -8.768 1.00 0.00 C ATOM 880 CG2 ILE A 55 3.431 4.592 -10.238 1.00 0.00 C ATOM 881 CD1 ILE A 55 6.668 4.308 -8.944 1.00 0.00 C ATOM 0 H ILE A 55 4.845 4.476 -6.484 1.00 0.00 H new ATOM 0 HA ILE A 55 2.457 4.961 -7.875 1.00 0.00 H new ATOM 0 HB ILE A 55 4.615 3.219 -9.021 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.367 5.962 -9.497 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.372 5.611 -7.780 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.129 4.629 -11.075 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.664 3.844 -10.438 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.962 5.568 -10.114 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.545 4.943 -8.817 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.684 3.513 -8.198 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.679 3.869 -9.942 1.00 0.00 H new ATOM 893 N SER A 56 3.304 1.816 -7.320 1.00 0.00 N ATOM 894 CA SER A 56 2.929 0.412 -7.449 1.00 0.00 C ATOM 895 C SER A 56 1.653 0.121 -6.667 1.00 0.00 C ATOM 896 O SER A 56 0.695 -0.475 -7.154 1.00 0.00 O ATOM 897 CB SER A 56 4.111 -0.438 -6.969 1.00 0.00 C ATOM 898 OG SER A 56 4.804 -1.010 -8.065 1.00 0.00 O ATOM 0 H SER A 56 4.187 1.969 -6.833 1.00 0.00 H new ATOM 0 HA SER A 56 2.712 0.165 -8.488 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.794 0.179 -6.385 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.751 -1.228 -6.309 1.00 0.00 H new ATOM 0 HG SER A 56 5.554 -1.546 -7.734 1.00 0.00 H new ATOM 904 N VAL A 57 1.677 0.563 -5.413 1.00 0.00 N ATOM 905 CA VAL A 57 0.574 0.479 -4.474 1.00 0.00 C ATOM 906 C VAL A 57 -0.629 1.334 -4.788 1.00 0.00 C ATOM 907 O VAL A 57 -1.731 0.821 -4.774 1.00 0.00 O ATOM 908 CB VAL A 57 1.092 0.683 -3.061 1.00 0.00 C ATOM 909 CG1 VAL A 57 1.000 2.076 -2.512 1.00 0.00 C ATOM 910 CG2 VAL A 57 0.353 -0.194 -2.084 1.00 0.00 C ATOM 0 H VAL A 57 2.502 1.007 -5.011 1.00 0.00 H new ATOM 0 HA VAL A 57 0.170 -0.529 -4.574 1.00 0.00 H new ATOM 0 HB VAL A 57 2.148 0.432 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.400 2.095 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.576 2.754 -3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.043 2.393 -2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.743 -0.029 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.709 0.051 -2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.489 -1.240 -2.359 1.00 0.00 H new ATOM 920 N ARG A 58 -0.474 2.609 -5.146 1.00 0.00 N ATOM 921 CA ARG A 58 -1.623 3.437 -5.500 1.00 0.00 C ATOM 922 C ARG A 58 -2.248 2.980 -6.791 1.00 0.00 C ATOM 923 O ARG A 58 -3.471 3.001 -6.906 1.00 0.00 O ATOM 924 CB ARG A 58 -1.254 4.906 -5.653 1.00 0.00 C ATOM 925 CG ARG A 58 -2.240 5.845 -4.943 1.00 0.00 C ATOM 926 CD ARG A 58 -3.627 5.782 -5.557 1.00 0.00 C ATOM 927 NE ARG A 58 -4.486 6.878 -5.064 1.00 0.00 N ATOM 928 CZ ARG A 58 -5.068 7.846 -5.756 1.00 0.00 C ATOM 929 NH1 ARG A 58 -4.952 7.972 -7.050 1.00 0.00 N ATOM 930 NH2 ARG A 58 -5.789 8.732 -5.130 1.00 0.00 N ATOM 0 H ARG A 58 0.426 3.085 -5.198 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.329 3.329 -4.677 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.253 5.068 -5.253 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.218 5.158 -6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.298 5.579 -3.888 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.867 6.868 -4.994 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.549 5.840 -6.643 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.088 4.823 -5.321 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.653 6.891 -4.058 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.391 7.305 -7.579 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.423 8.738 -7.532 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.901 8.676 -4.118 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.242 9.482 -5.652 1.00 0.00 H new ATOM 944 N ASP A 59 -1.447 2.533 -7.753 1.00 0.00 N ATOM 945 CA ASP A 59 -2.024 2.083 -9.021 1.00 0.00 C ATOM 946 C ASP A 59 -2.886 0.817 -8.867 1.00 0.00 C ATOM 947 O ASP A 59 -3.782 0.553 -9.659 1.00 0.00 O ATOM 948 CB ASP A 59 -0.922 1.839 -10.061 1.00 0.00 C ATOM 949 CG ASP A 59 -1.460 1.559 -11.482 1.00 0.00 C ATOM 950 OD1 ASP A 59 -2.018 2.484 -12.123 1.00 0.00 O ATOM 951 OD2 ASP A 59 -1.294 0.419 -11.979 1.00 0.00 O ATOM 0 H ASP A 59 -0.431 2.472 -7.688 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.680 2.883 -9.364 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.268 2.710 -10.095 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.312 0.994 -9.740 1.00 0.00 H new ATOM 956 N ALA A 60 -2.524 0.007 -7.874 1.00 0.00 N ATOM 957 CA ALA A 60 -3.213 -1.113 -7.253 1.00 0.00 C ATOM 958 C ALA A 60 -4.405 -0.747 -6.385 1.00 0.00 C ATOM 959 O ALA A 60 -5.441 -1.391 -6.437 1.00 0.00 O ATOM 960 CB ALA A 60 -2.162 -1.930 -6.527 1.00 0.00 C ATOM 0 H ALA A 60 -1.616 0.144 -7.430 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.692 -1.704 -8.033 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.635 -2.785 -6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.418 -2.283 -7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.676 -1.310 -5.773 1.00 0.00 H new ATOM 966 N LEU A 61 -4.276 0.306 -5.593 1.00 0.00 N ATOM 967 CA LEU A 61 -5.321 0.837 -4.745 1.00 0.00 C ATOM 968 C LEU A 61 -6.448 1.389 -5.569 1.00 0.00 C ATOM 969 O LEU A 61 -7.570 0.904 -5.518 1.00 0.00 O ATOM 970 CB LEU A 61 -4.660 1.939 -3.894 1.00 0.00 C ATOM 971 CG LEU A 61 -5.436 2.123 -2.610 1.00 0.00 C ATOM 972 CD1 LEU A 61 -4.526 2.515 -1.470 1.00 0.00 C ATOM 973 CD2 LEU A 61 -6.611 3.078 -2.784 1.00 0.00 C ATOM 0 H LEU A 61 -3.405 0.832 -5.524 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.755 0.062 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.627 1.670 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.632 2.875 -4.451 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.871 1.159 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.115 2.640 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.780 1.735 -1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.026 3.453 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.140 3.180 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.243 4.054 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.292 2.684 -3.539 1.00 0.00 H new ATOM 985 N ALA A 62 -6.054 2.238 -6.493 1.00 0.00 N ATOM 986 CA ALA A 62 -6.898 2.682 -7.589 1.00 0.00 C ATOM 987 C ALA A 62 -7.326 1.541 -8.532 1.00 0.00 C ATOM 988 O ALA A 62 -8.407 1.553 -9.121 1.00 0.00 O ATOM 989 CB ALA A 62 -6.260 3.862 -8.321 1.00 0.00 C ATOM 0 H ALA A 62 -5.121 2.649 -6.507 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.832 3.037 -7.153 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.909 4.178 -9.138 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.123 4.690 -7.626 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.292 3.561 -8.723 1.00 0.00 H new ATOM 995 N GLY A 63 -6.445 0.550 -8.634 1.00 0.00 N ATOM 996 CA GLY A 63 -6.581 -0.711 -9.329 1.00 0.00 C ATOM 997 C GLY A 63 -7.838 -1.419 -8.858 1.00 0.00 C ATOM 998 O GLY A 63 -8.726 -1.738 -9.641 1.00 0.00 O ATOM 0 H GLY A 63 -5.532 0.625 -8.186 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.628 -0.542 -10.405 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.708 -1.336 -9.143 1.00 0.00 H new ATOM 1002 N LYS A 64 -7.882 -1.641 -7.539 1.00 0.00 N ATOM 1003 CA LYS A 64 -8.980 -2.206 -6.780 1.00 0.00 C ATOM 1004 C LYS A 64 -10.186 -1.284 -6.678 1.00 0.00 C ATOM 1005 O LYS A 64 -11.313 -1.736 -6.630 1.00 0.00 O ATOM 1006 CB LYS A 64 -8.461 -2.797 -5.462 1.00 0.00 C ATOM 1007 CG LYS A 64 -9.417 -3.880 -4.927 1.00 0.00 C ATOM 1008 CD LYS A 64 -8.793 -5.283 -4.908 1.00 0.00 C ATOM 1009 CE LYS A 64 -9.832 -6.315 -4.449 1.00 0.00 C ATOM 1010 NZ LYS A 64 -9.305 -7.703 -4.444 1.00 0.00 N ATOM 0 H LYS A 64 -7.089 -1.410 -6.940 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.397 -3.047 -7.334 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.471 -3.226 -5.617 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.353 -2.004 -4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.728 -3.614 -3.917 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.316 -3.898 -5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.427 -5.541 -5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.933 -5.298 -4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.174 -6.058 -3.446 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.701 -6.264 -5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.097 -8.375 -4.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.763 -7.872 -5.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.686 -7.836 -3.619 1.00 0.00 H new ATOM 1024 N ARG A 65 -9.983 0.023 -6.601 1.00 0.00 N ATOM 1025 CA ARG A 65 -11.031 0.991 -6.340 1.00 0.00 C ATOM 1026 C ARG A 65 -12.138 0.853 -7.359 1.00 0.00 C ATOM 1027 O ARG A 65 -13.252 0.547 -6.984 1.00 0.00 O ATOM 1028 CB ARG A 65 -10.443 2.389 -6.302 1.00 0.00 C ATOM 1029 CG ARG A 65 -11.191 3.432 -5.467 1.00 0.00 C ATOM 1030 CD ARG A 65 -10.077 4.320 -4.910 1.00 0.00 C ATOM 1031 NE ARG A 65 -10.577 5.566 -4.328 1.00 0.00 N ATOM 1032 CZ ARG A 65 -10.841 6.705 -4.935 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -10.716 6.881 -6.227 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -11.255 7.707 -4.217 1.00 0.00 N ATOM 0 H ARG A 65 -9.063 0.447 -6.721 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.476 0.799 -5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.424 2.318 -5.923 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.377 2.757 -7.326 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.892 4.004 -6.075 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.768 2.966 -4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.524 3.767 -4.151 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.373 4.555 -5.709 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.743 5.551 -3.322 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.399 6.112 -6.818 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.935 7.787 -6.642 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.368 7.600 -3.209 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.467 8.600 -4.662 1.00 0.00 H new ATOM 1048 N ALA A 66 -11.784 0.815 -8.636 1.00 0.00 N ATOM 1049 CA ALA A 66 -12.753 0.620 -9.717 1.00 0.00 C ATOM 1050 C ALA A 66 -13.541 -0.688 -9.567 1.00 0.00 C ATOM 1051 O ALA A 66 -14.723 -0.753 -9.903 1.00 0.00 O ATOM 1052 CB ALA A 66 -12.063 0.606 -11.064 1.00 0.00 C ATOM 0 H ALA A 66 -10.821 0.918 -8.956 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.447 1.458 -9.655 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.803 0.460 -11.851 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.550 1.555 -11.220 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.338 -0.207 -11.093 1.00 0.00 H new ATOM 1058 N GLU A 67 -12.862 -1.737 -9.078 1.00 0.00 N ATOM 1059 CA GLU A 67 -13.443 -3.061 -8.893 1.00 0.00 C ATOM 1060 C GLU A 67 -14.490 -3.024 -7.811 1.00 0.00 C ATOM 1061 O GLU A 67 -15.569 -3.600 -7.897 1.00 0.00 O ATOM 1062 CB GLU A 67 -12.373 -4.026 -8.393 1.00 0.00 C ATOM 1063 CG GLU A 67 -11.101 -4.001 -9.204 1.00 0.00 C ATOM 1064 CD GLU A 67 -11.270 -4.670 -10.562 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -11.284 -5.923 -10.615 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -11.346 -3.947 -11.582 1.00 0.00 O ATOM 0 H GLU A 67 -11.883 -1.681 -8.799 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.864 -3.373 -9.849 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.136 -3.786 -7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.778 -5.038 -8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.784 -2.968 -9.347 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.309 -4.504 -8.649 1.00 0.00 H new ATOM 1073 N LEU A 68 -14.066 -2.398 -6.728 1.00 0.00 N ATOM 1074 CA LEU A 68 -14.792 -2.214 -5.497 1.00 0.00 C ATOM 1075 C LEU A 68 -16.003 -1.310 -5.575 1.00 0.00 C ATOM 1076 O LEU A 68 -16.965 -1.436 -4.831 1.00 0.00 O ATOM 1077 CB LEU A 68 -13.777 -1.913 -4.444 1.00 0.00 C ATOM 1078 CG LEU A 68 -13.248 -3.219 -3.887 1.00 0.00 C ATOM 1079 CD1 LEU A 68 -12.216 -2.795 -2.938 1.00 0.00 C ATOM 1080 CD2 LEU A 68 -14.244 -3.919 -2.967 1.00 0.00 C ATOM 0 H LEU A 68 -13.138 -1.977 -6.689 1.00 0.00 H new ATOM 0 HA LEU A 68 -15.315 -3.130 -5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.961 -1.324 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -14.224 -1.317 -3.648 1.00 0.00 H new ATOM 0 HG LEU A 68 -12.969 -3.869 -4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.765 -3.673 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.448 -2.228 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.665 -2.168 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.809 -4.848 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.479 -3.270 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -15.157 -4.140 -3.520 1.00 0.00 H new ATOM 1092 N GLU A 69 -15.878 -0.324 -6.451 1.00 0.00 N ATOM 1093 CA GLU A 69 -16.827 0.685 -6.865 1.00 0.00 C ATOM 1094 C GLU A 69 -17.891 0.121 -7.798 1.00 0.00 C ATOM 1095 O GLU A 69 -19.042 0.562 -7.798 1.00 0.00 O ATOM 1096 CB GLU A 69 -15.994 1.723 -7.600 1.00 0.00 C ATOM 1097 CG GLU A 69 -15.666 2.996 -6.816 1.00 0.00 C ATOM 1098 CD GLU A 69 -15.263 4.106 -7.774 1.00 0.00 C ATOM 1099 OE1 GLU A 69 -14.058 4.232 -8.086 1.00 0.00 O ATOM 1100 OE2 GLU A 69 -16.163 4.867 -8.203 1.00 0.00 O ATOM 0 H GLU A 69 -14.995 -0.203 -6.947 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.363 1.093 -6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.057 1.257 -7.907 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.523 2.006 -8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.532 3.306 -6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.858 2.801 -6.111 1.00 0.00 H new ATOM 1107 N ASP A 70 -17.486 -0.881 -8.585 1.00 0.00 N ATOM 1108 CA ASP A 70 -18.430 -1.840 -9.187 1.00 0.00 C ATOM 1109 C ASP A 70 -19.040 -2.724 -8.107 1.00 0.00 C ATOM 1110 O ASP A 70 -20.168 -3.200 -8.252 1.00 0.00 O ATOM 1111 CB ASP A 70 -17.754 -2.752 -10.222 1.00 0.00 C ATOM 1112 CG ASP A 70 -18.726 -3.245 -11.317 1.00 0.00 C ATOM 1113 OD1 ASP A 70 -19.100 -2.443 -12.213 1.00 0.00 O ATOM 1114 OD2 ASP A 70 -19.102 -4.442 -11.293 1.00 0.00 O ATOM 0 H ASP A 70 -16.509 -1.053 -8.823 1.00 0.00 H new ATOM 0 HA ASP A 70 -19.197 -1.249 -9.688 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.931 -2.213 -10.691 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.322 -3.613 -9.712 1.00 0.00 H new ATOM 1119 N SER A 71 -18.289 -2.905 -7.012 1.00 0.00 N ATOM 1120 CA SER A 71 -18.726 -3.738 -5.890 1.00 0.00 C ATOM 1121 C SER A 71 -19.403 -2.920 -4.749 1.00 0.00 C ATOM 1122 O SER A 71 -19.383 -3.320 -3.577 1.00 0.00 O ATOM 1123 CB SER A 71 -17.562 -4.594 -5.370 1.00 0.00 C ATOM 1124 OG SER A 71 -18.022 -5.776 -4.742 1.00 0.00 O ATOM 0 H SER A 71 -17.370 -2.481 -6.882 1.00 0.00 H new ATOM 0 HA SER A 71 -19.500 -4.405 -6.269 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.903 -4.855 -6.198 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.970 -4.013 -4.663 1.00 0.00 H new ATOM 0 HG SER A 71 -18.720 -5.551 -4.092 1.00 0.00 H new ATOM 1130 N ASP A 72 -19.951 -1.734 -5.075 1.00 0.00 N ATOM 1131 CA ASP A 72 -20.455 -0.700 -4.137 1.00 0.00 C ATOM 1132 C ASP A 72 -21.552 -1.189 -3.154 1.00 0.00 C ATOM 1133 O ASP A 72 -21.843 -0.514 -2.159 1.00 0.00 O ATOM 1134 CB ASP A 72 -20.996 0.521 -4.906 1.00 0.00 C ATOM 1135 CG ASP A 72 -22.359 0.299 -5.601 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -22.437 -0.483 -6.579 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -23.365 0.915 -5.172 1.00 0.00 O ATOM 0 H ASP A 72 -20.062 -1.452 -6.049 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.586 -0.435 -3.535 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -21.090 1.357 -4.213 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -20.263 0.812 -5.659 1.00 0.00 H new ATOM 1142 N ASP A 73 -22.172 -2.340 -3.458 1.00 0.00 N ATOM 1143 CA ASP A 73 -23.236 -3.022 -2.696 1.00 0.00 C ATOM 1144 C ASP A 73 -22.963 -3.142 -1.187 1.00 0.00 C ATOM 1145 O ASP A 73 -21.864 -3.533 -0.778 1.00 0.00 O ATOM 1146 CB ASP A 73 -23.435 -4.407 -3.316 1.00 0.00 C ATOM 1147 CG ASP A 73 -24.578 -5.242 -2.701 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -24.377 -5.855 -1.626 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -25.671 -5.316 -3.317 1.00 0.00 O ATOM 0 H ASP A 73 -21.927 -2.857 -4.302 1.00 0.00 H new ATOM 0 HA ASP A 73 -24.136 -2.412 -2.766 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -23.627 -4.286 -4.382 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -22.505 -4.967 -3.221 1.00 0.00 H new ATOM 1154 N GLU A 74 -23.977 -2.841 -0.363 1.00 0.00 N ATOM 1155 CA GLU A 74 -23.943 -2.940 1.114 1.00 0.00 C ATOM 1156 C GLU A 74 -25.164 -3.633 1.708 1.00 0.00 C ATOM 1157 O GLU A 74 -26.302 -3.262 1.405 1.00 0.00 O ATOM 1158 CB GLU A 74 -23.743 -1.590 1.771 1.00 0.00 C ATOM 1159 CG GLU A 74 -22.242 -1.307 1.802 1.00 0.00 C ATOM 1160 CD GLU A 74 -21.414 -2.210 2.727 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -21.935 -2.687 3.764 1.00 0.00 O ATOM 1162 OE2 GLU A 74 -20.223 -2.427 2.417 1.00 0.00 O ATOM 0 H GLU A 74 -24.876 -2.510 -0.712 1.00 0.00 H new ATOM 0 HA GLU A 74 -23.079 -3.569 1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.267 -0.813 1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.153 -1.592 2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -21.852 -1.401 0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -22.092 -0.271 2.106 1.00 0.00 H new ATOM 1169 N VAL A 75 -24.916 -4.630 2.564 1.00 0.00 N ATOM 1170 CA VAL A 75 -25.844 -5.660 3.106 1.00 0.00 C ATOM 1171 C VAL A 75 -26.613 -6.488 2.067 1.00 0.00 C ATOM 1172 O VAL A 75 -26.541 -7.720 2.038 1.00 0.00 O ATOM 1173 CB VAL A 75 -26.820 -5.057 4.145 1.00 0.00 C ATOM 1174 CG1 VAL A 75 -27.934 -6.030 4.571 1.00 0.00 C ATOM 1175 CG2 VAL A 75 -26.069 -4.626 5.411 1.00 0.00 C ATOM 0 H VAL A 75 -23.976 -4.759 2.937 1.00 0.00 H new ATOM 0 HA VAL A 75 -25.177 -6.372 3.592 1.00 0.00 H new ATOM 0 HB VAL A 75 -27.278 -4.202 3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -28.582 -5.544 5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -28.520 -6.316 3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -27.489 -6.920 5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -26.775 -4.205 6.127 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -25.575 -5.491 5.854 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -25.322 -3.875 5.153 1.00 0.00 H new ATOM 1185 N GLU A 76 -27.368 -5.784 1.242 1.00 0.00 N ATOM 1186 CA GLU A 76 -28.406 -6.270 0.326 1.00 0.00 C ATOM 1187 C GLU A 76 -28.515 -5.464 -0.972 1.00 0.00 C ATOM 1188 O GLU A 76 -28.965 -6.001 -1.989 1.00 0.00 O ATOM 1189 CB GLU A 76 -29.768 -6.242 1.030 1.00 0.00 C ATOM 1190 CG GLU A 76 -30.291 -4.830 1.308 1.00 0.00 C ATOM 1191 CD GLU A 76 -31.658 -4.905 1.977 1.00 0.00 C ATOM 1192 OE1 GLU A 76 -32.676 -4.959 1.252 1.00 0.00 O ATOM 1193 OE2 GLU A 76 -31.713 -4.905 3.230 1.00 0.00 O ATOM 0 H GLU A 76 -27.268 -4.770 1.185 1.00 0.00 H new ATOM 0 HA GLU A 76 -28.114 -7.284 0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -30.495 -6.774 0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -29.690 -6.783 1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -29.592 -4.294 1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -30.363 -4.269 0.376 1.00 0.00 H new ATOM 1200 N GLU A 77 -28.158 -4.169 -0.919 1.00 0.00 N ATOM 1201 CA GLU A 77 -28.297 -3.214 -2.034 1.00 0.00 C ATOM 1202 C GLU A 77 -27.426 -1.968 -1.868 1.00 0.00 C ATOM 1203 O GLU A 77 -26.654 -1.619 -2.760 1.00 0.00 O ATOM 1204 CB GLU A 77 -29.760 -2.767 -2.196 1.00 0.00 C ATOM 1205 CG GLU A 77 -29.994 -2.112 -3.557 1.00 0.00 C ATOM 1206 CD GLU A 77 -31.472 -1.798 -3.732 1.00 0.00 C ATOM 1207 OE1 GLU A 77 -31.932 -0.765 -3.201 1.00 0.00 O ATOM 1208 OE2 GLU A 77 -32.175 -2.596 -4.397 1.00 0.00 O ATOM 0 H GLU A 77 -27.756 -3.747 -0.082 1.00 0.00 H new ATOM 0 HA GLU A 77 -27.961 -3.749 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -30.420 -3.628 -2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -30.018 -2.065 -1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -29.407 -1.197 -3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -29.657 -2.776 -4.353 1.00 0.00 H new ATOM 1215 N SER A 78 -27.583 -1.272 -0.736 1.00 0.00 N ATOM 1216 CA SER A 78 -27.161 0.134 -0.560 1.00 0.00 C ATOM 1217 C SER A 78 -27.145 0.629 0.912 1.00 0.00 C ATOM 1218 O SER A 78 -27.209 1.836 1.167 1.00 0.00 O ATOM 1219 CB SER A 78 -28.107 1.018 -1.406 1.00 0.00 C ATOM 1220 OG SER A 78 -29.477 0.790 -1.081 1.00 0.00 O ATOM 0 H SER A 78 -28.012 -1.670 0.099 1.00 0.00 H new ATOM 0 HA SER A 78 -26.124 0.205 -0.889 1.00 0.00 H new ATOM 0 HB2 SER A 78 -27.865 2.068 -1.244 1.00 0.00 H new ATOM 0 HB3 SER A 78 -27.946 0.814 -2.464 1.00 0.00 H new ATOM 0 HG SER A 78 -30.045 1.367 -1.634 1.00 0.00 H new ATOM 1226 N PHE A 79 -27.132 -0.295 1.885 1.00 0.00 N ATOM 1227 CA PHE A 79 -27.311 -0.019 3.323 1.00 0.00 C ATOM 1228 C PHE A 79 -26.325 1.032 3.899 1.00 0.00 C ATOM 1229 O PHE A 79 -26.799 1.979 4.567 1.00 0.00 O ATOM 1230 CB PHE A 79 -27.230 -1.348 4.082 1.00 0.00 C ATOM 1231 CG PHE A 79 -27.528 -1.260 5.567 1.00 0.00 C ATOM 1232 CD1 PHE A 79 -28.859 -1.305 6.019 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -26.475 -1.144 6.497 1.00 0.00 C ATOM 1234 CE1 PHE A 79 -29.137 -1.229 7.397 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -26.759 -1.075 7.874 1.00 0.00 C ATOM 1236 CZ PHE A 79 -28.087 -1.113 8.325 1.00 0.00 C ATOM 1237 OXT PHE A 79 -25.094 0.903 3.702 1.00 0.00 O ATOM 0 H PHE A 79 -26.992 -1.286 1.689 1.00 0.00 H new ATOM 0 HA PHE A 79 -28.292 0.438 3.454 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -27.928 -2.051 3.628 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -26.230 -1.763 3.952 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -29.668 -1.398 5.309 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -25.452 -1.108 6.153 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -30.160 -1.260 7.742 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -25.951 -0.992 8.586 1.00 0.00 H new ATOM 0 HZ PHE A 79 -28.302 -1.053 9.382 1.00 0.00 H new TER 1247 PHE A 79