USER MOD reduce.3.24.130724 H: found=0, std=0, add=1054, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1052 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 65 ASN : amide:sc= 1.28 K(o=2.3,f=-1.5) USER MOD Set 1.2: B 65 ASN : amide:sc= 1 K(o=2.3,f=0.21) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -168:sc=-1.86e-05 (180deg=-0.181) USER MOD Single : A 3 MET CE :methyl 175:sc= 0 (180deg=-0.0196) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0.973 (180deg=0.973) USER MOD Single : A 9 THR OG1 : rot 100:sc= 0.87 USER MOD Single : A -3 GLY N :NH3+ -136:sc= 0.069 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 106:sc= 1.2 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.756 K(o=0.76,f=-0.061) USER MOD Single : B 0 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 170:sc=-0.00677 (180deg=-0.149) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ -175:sc= 1.21 (180deg=1.19) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B -3 GLY N :NH3+ -140:sc= 0.0465 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot -59:sc= 0.0238 USER MOD Single : B 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 64 GLN : amide:sc= 0.979 K(o=0.98,f=-0.043) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 11.332 1.183 -6.555 1.00 0.00 N ATOM 2 CA GLY A -3 10.516 1.608 -7.710 1.00 0.00 C ATOM 3 C GLY A -3 9.372 2.523 -7.290 1.00 0.00 C ATOM 4 O GLY A -3 9.450 3.158 -6.228 1.00 0.00 O ATOM 0 H1 GLY A -3 12.341 1.251 -6.799 1.00 0.00 H new ATOM 0 H2 GLY A -3 11.130 1.799 -5.742 1.00 0.00 H new ATOM 0 H3 GLY A -3 11.101 0.199 -6.310 1.00 0.00 H new ATOM 0 HA2 GLY A -3 11.149 2.125 -8.431 1.00 0.00 H new ATOM 0 HA3 GLY A -3 10.112 0.729 -8.213 1.00 0.00 H new ATOM 10 N PRO A -2 8.301 2.616 -8.104 1.00 0.00 N ATOM 11 CA PRO A -2 7.126 3.449 -7.826 1.00 0.00 C ATOM 12 C PRO A -2 6.380 3.093 -6.528 1.00 0.00 C ATOM 13 O PRO A -2 6.417 1.951 -6.057 1.00 0.00 O ATOM 14 CB PRO A -2 6.199 3.289 -9.043 1.00 0.00 C ATOM 15 CG PRO A -2 7.165 2.922 -10.166 1.00 0.00 C ATOM 16 CD PRO A -2 8.199 2.059 -9.445 1.00 0.00 C ATOM 0 HA PRO A -2 7.452 4.477 -7.670 1.00 0.00 H new ATOM 0 HB2 PRO A -2 5.453 2.511 -8.882 1.00 0.00 H new ATOM 0 HB3 PRO A -2 5.657 4.209 -9.261 1.00 0.00 H new ATOM 0 HG2 PRO A -2 6.667 2.375 -10.967 1.00 0.00 H new ATOM 0 HG3 PRO A -2 7.617 3.805 -10.617 1.00 0.00 H new ATOM 0 HD2 PRO A -2 7.886 1.015 -9.414 1.00 0.00 H new ATOM 0 HD3 PRO A -2 9.161 2.089 -9.957 1.00 0.00 H new ATOM 24 N GLY A -1 5.659 4.071 -5.976 1.00 0.00 N ATOM 25 CA GLY A -1 4.877 3.941 -4.741 1.00 0.00 C ATOM 26 C GLY A -1 4.232 5.263 -4.301 1.00 0.00 C ATOM 27 O GLY A -1 4.352 6.295 -4.986 1.00 0.00 O ATOM 0 H GLY A -1 5.600 5.003 -6.386 1.00 0.00 H new ATOM 0 HA2 GLY A -1 4.098 3.193 -4.887 1.00 0.00 H new ATOM 0 HA3 GLY A -1 5.524 3.575 -3.944 1.00 0.00 H new ATOM 31 N SER A 0 3.546 5.246 -3.157 1.00 0.00 N ATOM 32 CA SER A 0 2.952 6.440 -2.532 1.00 0.00 C ATOM 33 C SER A 0 4.018 7.428 -2.022 1.00 0.00 C ATOM 34 O SER A 0 5.063 7.024 -1.501 1.00 0.00 O ATOM 35 CB SER A 0 2.004 6.026 -1.395 1.00 0.00 C ATOM 36 OG SER A 0 2.656 5.219 -0.418 1.00 0.00 O ATOM 0 H SER A 0 3.382 4.391 -2.626 1.00 0.00 H new ATOM 0 HA SER A 0 2.383 6.962 -3.301 1.00 0.00 H new ATOM 0 HB2 SER A 0 1.601 6.919 -0.917 1.00 0.00 H new ATOM 0 HB3 SER A 0 1.158 5.478 -1.811 1.00 0.00 H new ATOM 0 HG SER A 0 2.019 4.980 0.287 1.00 0.00 H new ATOM 42 N MET A 1 3.727 8.728 -2.149 1.00 0.00 N ATOM 43 CA MET A 1 4.619 9.848 -1.803 1.00 0.00 C ATOM 44 C MET A 1 3.920 10.911 -0.946 1.00 0.00 C ATOM 45 O MET A 1 2.703 11.094 -1.022 1.00 0.00 O ATOM 46 CB MET A 1 5.159 10.506 -3.084 1.00 0.00 C ATOM 47 CG MET A 1 6.107 9.606 -3.885 1.00 0.00 C ATOM 48 SD MET A 1 7.726 9.298 -3.122 1.00 0.00 S ATOM 49 CE MET A 1 8.472 10.953 -3.217 1.00 0.00 C ATOM 0 H MET A 1 2.827 9.045 -2.510 1.00 0.00 H new ATOM 0 HA MET A 1 5.438 9.432 -1.216 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.319 10.790 -3.718 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.682 11.424 -2.818 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.615 8.648 -4.052 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.267 10.057 -4.864 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.536 10.886 -2.988 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.342 11.354 -4.222 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.986 11.613 -2.498 1.00 0.00 H new ATOM 59 N CYS A 2 4.721 11.667 -0.190 1.00 0.00 N ATOM 60 CA CYS A 2 4.342 12.916 0.479 1.00 0.00 C ATOM 61 C CYS A 2 5.376 14.019 0.178 1.00 0.00 C ATOM 62 O CYS A 2 6.535 13.735 -0.139 1.00 0.00 O ATOM 63 CB CYS A 2 4.164 12.687 1.988 1.00 0.00 C ATOM 64 SG CYS A 2 2.659 11.783 2.437 1.00 0.00 S ATOM 0 H CYS A 2 5.694 11.415 -0.020 1.00 0.00 H new ATOM 0 HA CYS A 2 3.382 13.253 0.089 1.00 0.00 H new ATOM 0 HB2 CYS A 2 5.028 12.139 2.364 1.00 0.00 H new ATOM 0 HB3 CYS A 2 4.156 13.654 2.491 1.00 0.00 H new ATOM 69 N MET A 3 4.945 15.277 0.282 1.00 0.00 N ATOM 70 CA MET A 3 5.752 16.479 0.049 1.00 0.00 C ATOM 71 C MET A 3 5.211 17.670 0.856 1.00 0.00 C ATOM 72 O MET A 3 4.123 17.598 1.439 1.00 0.00 O ATOM 73 CB MET A 3 5.797 16.809 -1.460 1.00 0.00 C ATOM 74 CG MET A 3 4.424 17.099 -2.087 1.00 0.00 C ATOM 75 SD MET A 3 4.450 18.071 -3.617 1.00 0.00 S ATOM 76 CE MET A 3 5.624 17.134 -4.640 1.00 0.00 C ATOM 0 H MET A 3 3.983 15.497 0.542 1.00 0.00 H new ATOM 0 HA MET A 3 6.769 16.283 0.390 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.442 17.674 -1.611 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.255 15.973 -1.989 1.00 0.00 H new ATOM 0 HG2 MET A 3 3.929 16.149 -2.290 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.814 17.626 -1.353 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.666 17.570 -5.638 1.00 0.00 H new ATOM 0 HE2 MET A 3 6.614 17.172 -4.185 1.00 0.00 H new ATOM 0 HE3 MET A 3 5.297 16.097 -4.711 1.00 0.00 H new ATOM 86 N ALA A 4 5.945 18.780 0.870 1.00 0.00 N ATOM 87 CA ALA A 4 5.531 20.046 1.468 1.00 0.00 C ATOM 88 C ALA A 4 5.939 21.251 0.597 1.00 0.00 C ATOM 89 O ALA A 4 6.620 21.090 -0.423 1.00 0.00 O ATOM 90 CB ALA A 4 6.134 20.110 2.881 1.00 0.00 C ATOM 0 H ALA A 4 6.874 18.824 0.452 1.00 0.00 H new ATOM 0 HA ALA A 4 4.444 20.097 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.844 21.046 3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.765 19.272 3.472 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.221 20.058 2.816 1.00 0.00 H new ATOM 96 N LYS A 5 5.573 22.466 1.016 1.00 0.00 N ATOM 97 CA LYS A 5 6.247 23.704 0.606 1.00 0.00 C ATOM 98 C LYS A 5 6.974 24.340 1.793 1.00 0.00 C ATOM 99 O LYS A 5 6.459 24.349 2.912 1.00 0.00 O ATOM 100 CB LYS A 5 5.304 24.672 -0.132 1.00 0.00 C ATOM 101 CG LYS A 5 4.263 25.370 0.756 1.00 0.00 C ATOM 102 CD LYS A 5 3.501 26.449 -0.022 1.00 0.00 C ATOM 103 CE LYS A 5 2.596 27.243 0.927 1.00 0.00 C ATOM 104 NZ LYS A 5 1.864 28.308 0.206 1.00 0.00 N1+ ATOM 0 H LYS A 5 4.793 22.620 1.655 1.00 0.00 H new ATOM 0 HA LYS A 5 7.009 23.447 -0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.906 25.434 -0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.781 24.121 -0.913 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.560 24.633 1.143 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.759 25.820 1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.206 27.121 -0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.902 25.988 -0.807 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.885 26.569 1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.197 27.686 1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.260 28.828 0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.544 28.964 -0.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.272 27.882 -0.536 1.00 0.00 H new ATOM 118 N VAL A 6 8.166 24.881 1.556 1.00 0.00 N ATOM 119 CA VAL A 6 8.924 25.689 2.523 1.00 0.00 C ATOM 120 C VAL A 6 8.521 27.162 2.403 1.00 0.00 C ATOM 121 O VAL A 6 8.335 27.659 1.293 1.00 0.00 O ATOM 122 CB VAL A 6 10.442 25.478 2.350 1.00 0.00 C ATOM 123 CG1 VAL A 6 11.308 26.565 2.995 1.00 0.00 C ATOM 124 CG2 VAL A 6 10.841 24.134 2.972 1.00 0.00 C ATOM 0 H VAL A 6 8.649 24.770 0.665 1.00 0.00 H new ATOM 0 HA VAL A 6 8.679 25.361 3.533 1.00 0.00 H new ATOM 0 HB VAL A 6 10.624 25.512 1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.361 26.339 2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.069 27.532 2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.111 26.599 4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.914 23.981 2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.592 24.136 4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.302 23.328 2.474 1.00 0.00 H new ATOM 134 N VAL A 7 8.437 27.868 3.532 1.00 0.00 N ATOM 135 CA VAL A 7 8.337 29.337 3.605 1.00 0.00 C ATOM 136 C VAL A 7 9.415 29.912 4.536 1.00 0.00 C ATOM 137 O VAL A 7 9.685 29.358 5.603 1.00 0.00 O ATOM 138 CB VAL A 7 6.905 29.796 3.958 1.00 0.00 C ATOM 139 CG1 VAL A 7 6.416 29.296 5.321 1.00 0.00 C ATOM 140 CG2 VAL A 7 6.789 31.328 3.956 1.00 0.00 C ATOM 0 H VAL A 7 8.436 27.426 4.451 1.00 0.00 H new ATOM 0 HA VAL A 7 8.536 29.747 2.615 1.00 0.00 H new ATOM 0 HB VAL A 7 6.279 29.356 3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.404 29.658 5.500 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.419 28.206 5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.077 29.668 6.104 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.768 31.616 4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.476 31.746 4.692 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.040 31.711 2.967 1.00 0.00 H new ATOM 150 N LEU A 8 10.037 31.018 4.110 1.00 0.00 N ATOM 151 CA LEU A 8 11.147 31.702 4.793 1.00 0.00 C ATOM 152 C LEU A 8 11.185 33.202 4.466 1.00 0.00 C ATOM 153 O LEU A 8 10.551 33.648 3.509 1.00 0.00 O ATOM 154 CB LEU A 8 12.469 30.993 4.430 1.00 0.00 C ATOM 155 CG LEU A 8 12.921 31.095 2.954 1.00 0.00 C ATOM 156 CD1 LEU A 8 13.865 32.278 2.702 1.00 0.00 C ATOM 157 CD2 LEU A 8 13.677 29.833 2.548 1.00 0.00 C ATOM 0 H LEU A 8 9.770 31.483 3.242 1.00 0.00 H new ATOM 0 HA LEU A 8 10.997 31.640 5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.260 31.402 5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.372 29.938 4.686 1.00 0.00 H new ATOM 0 HG LEU A 8 12.010 31.231 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.149 32.299 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.359 33.208 2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.758 32.168 3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.990 29.916 1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.555 29.715 3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.026 28.966 2.663 1.00 0.00 H new ATOM 169 N THR A 9 11.947 33.980 5.243 1.00 0.00 N ATOM 170 CA THR A 9 12.094 35.438 5.058 1.00 0.00 C ATOM 171 C THR A 9 13.562 35.868 5.155 1.00 0.00 C ATOM 172 O THR A 9 14.278 35.462 6.074 1.00 0.00 O ATOM 173 CB THR A 9 11.231 36.225 6.066 1.00 0.00 C ATOM 174 OG1 THR A 9 9.944 35.661 6.199 1.00 0.00 O ATOM 175 CG2 THR A 9 11.008 37.676 5.632 1.00 0.00 C ATOM 0 H THR A 9 12.487 33.616 6.028 1.00 0.00 H new ATOM 0 HA THR A 9 11.738 35.672 4.055 1.00 0.00 H new ATOM 0 HB THR A 9 11.785 36.183 7.004 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.910 35.111 7.009 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.395 38.188 6.374 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.970 38.182 5.545 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.500 37.693 4.668 1.00 0.00 H new ATOM 183 N LYS A 10 14.021 36.682 4.196 1.00 0.00 N ATOM 184 CA LYS A 10 15.388 37.241 4.128 1.00 0.00 C ATOM 185 C LYS A 10 15.659 38.254 5.250 1.00 0.00 C ATOM 186 O LYS A 10 14.733 38.850 5.809 1.00 0.00 O ATOM 187 CB LYS A 10 15.608 37.929 2.765 1.00 0.00 C ATOM 188 CG LYS A 10 15.495 36.983 1.559 1.00 0.00 C ATOM 189 CD LYS A 10 15.680 37.773 0.255 1.00 0.00 C ATOM 190 CE LYS A 10 15.377 36.875 -0.949 1.00 0.00 C ATOM 191 NZ LYS A 10 15.602 37.581 -2.235 1.00 0.00 N1+ ATOM 0 H LYS A 10 13.435 36.983 3.417 1.00 0.00 H new ATOM 0 HA LYS A 10 16.081 36.409 4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.879 38.731 2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 10 16.595 38.392 2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 10 16.249 36.199 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.522 36.491 1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.019 38.640 0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.701 38.150 0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.007 35.987 -0.907 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.343 36.535 -0.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.386 36.940 -3.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 14.983 38.415 -2.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.595 37.883 -2.296 1.00 0.00 H new ATOM 205 N ALA A 11 16.940 38.548 5.485 1.00 0.00 N ATOM 206 CA ALA A 11 17.380 39.645 6.359 1.00 0.00 C ATOM 207 C ALA A 11 16.969 41.043 5.833 1.00 0.00 C ATOM 208 O ALA A 11 16.781 41.977 6.610 1.00 0.00 O ATOM 209 CB ALA A 11 18.902 39.539 6.513 1.00 0.00 C ATOM 0 H ALA A 11 17.712 38.026 5.070 1.00 0.00 H new ATOM 0 HA ALA A 11 16.884 39.544 7.325 1.00 0.00 H new ATOM 0 HB1 ALA A 11 19.259 40.342 7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.157 38.577 6.957 1.00 0.00 H new ATOM 0 HB3 ALA A 11 19.374 39.623 5.534 1.00 0.00 H new ATOM 215 N ASP A 12 16.782 41.176 4.512 1.00 0.00 N ATOM 216 CA ASP A 12 16.230 42.371 3.846 1.00 0.00 C ATOM 217 C ASP A 12 14.698 42.515 4.017 1.00 0.00 C ATOM 218 O ASP A 12 14.104 43.514 3.598 1.00 0.00 O ATOM 219 CB ASP A 12 16.614 42.294 2.356 1.00 0.00 C ATOM 220 CG ASP A 12 16.452 43.624 1.591 1.00 0.00 C ATOM 221 OD1 ASP A 12 16.082 43.587 0.391 1.00 0.00 O ATOM 222 OD2 ASP A 12 16.738 44.710 2.154 1.00 0.00 O1- ATOM 0 H ASP A 12 17.017 40.433 3.854 1.00 0.00 H new ATOM 0 HA ASP A 12 16.654 43.259 4.315 1.00 0.00 H new ATOM 0 HB2 ASP A 12 17.650 41.966 2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.001 41.533 1.873 1.00 0.00 H new ATOM 227 N GLY A 13 14.031 41.514 4.602 1.00 0.00 N ATOM 228 CA GLY A 13 12.580 41.465 4.813 1.00 0.00 C ATOM 229 C GLY A 13 11.780 40.866 3.649 1.00 0.00 C ATOM 230 O GLY A 13 10.547 40.906 3.678 1.00 0.00 O ATOM 0 H GLY A 13 14.506 40.683 4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.377 40.883 5.712 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.220 42.477 5.000 1.00 0.00 H new ATOM 234 N GLY A 14 12.445 40.322 2.621 1.00 0.00 N ATOM 235 CA GLY A 14 11.796 39.679 1.469 1.00 0.00 C ATOM 236 C GLY A 14 11.330 38.256 1.788 1.00 0.00 C ATOM 237 O GLY A 14 12.155 37.414 2.143 1.00 0.00 O ATOM 0 H GLY A 14 13.463 40.316 2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.941 40.278 1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.492 39.652 0.630 1.00 0.00 H new ATOM 241 N ARG A 15 10.031 37.969 1.666 1.00 0.00 N ATOM 242 CA ARG A 15 9.454 36.630 1.892 1.00 0.00 C ATOM 243 C ARG A 15 9.529 35.748 0.638 1.00 0.00 C ATOM 244 O ARG A 15 9.341 36.228 -0.481 1.00 0.00 O ATOM 245 CB ARG A 15 8.036 36.772 2.465 1.00 0.00 C ATOM 246 CG ARG A 15 7.433 35.431 2.914 1.00 0.00 C ATOM 247 CD ARG A 15 6.440 35.616 4.064 1.00 0.00 C ATOM 248 NE ARG A 15 7.150 35.906 5.324 1.00 0.00 N ATOM 249 CZ ARG A 15 6.631 36.287 6.473 1.00 0.00 C ATOM 250 NH1 ARG A 15 5.348 36.451 6.643 1.00 0.00 N1+ ATOM 251 NH2 ARG A 15 7.420 36.504 7.482 1.00 0.00 N ATOM 0 H ARG A 15 9.335 38.667 1.404 1.00 0.00 H new ATOM 0 HA ARG A 15 10.054 36.102 2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.060 37.456 3.314 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.389 37.221 1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.930 34.957 2.071 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.232 34.759 3.227 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.754 36.431 3.831 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.837 34.715 4.179 1.00 0.00 H new ATOM 0 HE ARG A 15 8.164 35.799 5.303 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.705 36.283 5.869 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.987 36.747 7.550 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.427 36.379 7.378 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.033 36.800 8.378 1.00 0.00 H new ATOM 265 N VAL A 16 9.814 34.466 0.843 1.00 0.00 N ATOM 266 CA VAL A 16 10.115 33.467 -0.195 1.00 0.00 C ATOM 267 C VAL A 16 9.390 32.164 0.114 1.00 0.00 C ATOM 268 O VAL A 16 9.356 31.709 1.261 1.00 0.00 O ATOM 269 CB VAL A 16 11.632 33.210 -0.275 1.00 0.00 C ATOM 270 CG1 VAL A 16 12.013 32.108 -1.277 1.00 0.00 C ATOM 271 CG2 VAL A 16 12.403 34.486 -0.654 1.00 0.00 C ATOM 0 H VAL A 16 9.845 34.069 1.782 1.00 0.00 H new ATOM 0 HA VAL A 16 9.774 33.853 -1.156 1.00 0.00 H new ATOM 0 HB VAL A 16 11.911 32.879 0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 16 13.095 31.979 -1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 16 11.538 31.171 -0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 16 11.676 32.391 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.470 34.266 -0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.063 34.841 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 16 12.224 35.256 0.097 1.00 0.00 H new ATOM 281 N GLU A 17 8.859 31.514 -0.920 1.00 0.00 N ATOM 282 CA GLU A 17 8.348 30.142 -0.838 1.00 0.00 C ATOM 283 C GLU A 17 8.996 29.210 -1.870 1.00 0.00 C ATOM 284 O GLU A 17 9.376 29.639 -2.962 1.00 0.00 O ATOM 285 CB GLU A 17 6.820 30.104 -0.985 1.00 0.00 C ATOM 286 CG GLU A 17 6.071 30.821 0.142 1.00 0.00 C ATOM 287 CD GLU A 17 4.572 30.466 0.175 1.00 0.00 C ATOM 288 OE1 GLU A 17 3.936 30.700 1.229 1.00 0.00 O ATOM 289 OE2 GLU A 17 4.008 29.936 -0.817 1.00 0.00 O1- ATOM 0 H GLU A 17 8.769 31.927 -1.848 1.00 0.00 H new ATOM 0 HA GLU A 17 8.618 29.777 0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.545 30.558 -1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.494 29.065 -1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.524 30.560 1.098 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.183 31.898 0.020 1.00 0.00 H new ATOM 296 N ILE A 18 9.083 27.920 -1.531 1.00 0.00 N ATOM 297 CA ILE A 18 9.637 26.853 -2.379 1.00 0.00 C ATOM 298 C ILE A 18 8.652 25.682 -2.368 1.00 0.00 C ATOM 299 O ILE A 18 8.434 25.074 -1.321 1.00 0.00 O ATOM 300 CB ILE A 18 11.046 26.409 -1.902 1.00 0.00 C ATOM 301 CG1 ILE A 18 12.019 27.607 -1.786 1.00 0.00 C ATOM 302 CG2 ILE A 18 11.611 25.323 -2.841 1.00 0.00 C ATOM 303 CD1 ILE A 18 13.366 27.225 -1.166 1.00 0.00 C ATOM 0 H ILE A 18 8.759 27.575 -0.627 1.00 0.00 H new ATOM 0 HA ILE A 18 9.766 27.225 -3.395 1.00 0.00 H new ATOM 0 HB ILE A 18 10.942 25.986 -0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.188 28.028 -2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 18 11.556 28.387 -1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.599 25.021 -2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 18 10.946 24.459 -2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.687 25.721 -3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.005 28.107 -1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.206 26.830 -0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 18 13.848 26.466 -1.782 1.00 0.00 H new ATOM 315 N GLY A 19 8.059 25.366 -3.517 1.00 0.00 N ATOM 316 CA GLY A 19 7.122 24.254 -3.688 1.00 0.00 C ATOM 317 C GLY A 19 7.804 22.905 -3.964 1.00 0.00 C ATOM 318 O GLY A 19 9.001 22.845 -4.266 1.00 0.00 O ATOM 0 H GLY A 19 8.220 25.889 -4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.511 24.165 -2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.446 24.484 -4.512 1.00 0.00 H new ATOM 322 N ASP A 20 7.028 21.822 -3.894 1.00 0.00 N ATOM 323 CA ASP A 20 7.454 20.450 -4.226 1.00 0.00 C ATOM 324 C ASP A 20 8.665 19.936 -3.415 1.00 0.00 C ATOM 325 O ASP A 20 9.471 19.145 -3.913 1.00 0.00 O ATOM 326 CB ASP A 20 7.627 20.264 -5.748 1.00 0.00 C ATOM 327 CG ASP A 20 6.479 20.807 -6.619 1.00 0.00 C ATOM 328 OD1 ASP A 20 6.739 21.194 -7.787 1.00 0.00 O ATOM 329 OD2 ASP A 20 5.307 20.846 -6.171 1.00 0.00 O1- ATOM 0 H ASP A 20 6.054 21.871 -3.596 1.00 0.00 H new ATOM 0 HA ASP A 20 6.635 19.806 -3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.553 20.752 -6.053 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.744 19.200 -5.955 1.00 0.00 H new ATOM 334 N VAL A 21 8.817 20.400 -2.171 1.00 0.00 N ATOM 335 CA VAL A 21 9.913 20.020 -1.269 1.00 0.00 C ATOM 336 C VAL A 21 9.735 18.588 -0.754 1.00 0.00 C ATOM 337 O VAL A 21 8.675 18.228 -0.233 1.00 0.00 O ATOM 338 CB VAL A 21 10.044 21.017 -0.100 1.00 0.00 C ATOM 339 CG1 VAL A 21 11.103 20.582 0.925 1.00 0.00 C ATOM 340 CG2 VAL A 21 10.449 22.399 -0.628 1.00 0.00 C ATOM 0 H VAL A 21 8.168 21.066 -1.752 1.00 0.00 H new ATOM 0 HA VAL A 21 10.840 20.055 -1.842 1.00 0.00 H new ATOM 0 HB VAL A 21 9.070 21.049 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.156 21.318 1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.831 19.611 1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.074 20.508 0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.539 23.095 0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.406 22.325 -1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.690 22.760 -1.322 1.00 0.00 H new ATOM 350 N LEU A 22 10.790 17.780 -0.881 1.00 0.00 N ATOM 351 CA LEU A 22 10.847 16.414 -0.358 1.00 0.00 C ATOM 352 C LEU A 22 11.604 16.309 0.977 1.00 0.00 C ATOM 353 O LEU A 22 11.310 15.406 1.762 1.00 0.00 O ATOM 354 CB LEU A 22 11.482 15.492 -1.416 1.00 0.00 C ATOM 355 CG LEU A 22 10.577 15.139 -2.617 1.00 0.00 C ATOM 356 CD1 LEU A 22 11.294 14.101 -3.483 1.00 0.00 C ATOM 357 CD2 LEU A 22 9.235 14.529 -2.211 1.00 0.00 C ATOM 0 H LEU A 22 11.645 18.063 -1.360 1.00 0.00 H new ATOM 0 HA LEU A 22 9.824 16.099 -0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.387 15.969 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.789 14.566 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 22 10.382 16.074 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.666 13.842 -4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.238 14.514 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.490 13.206 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.652 14.306 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.408 13.610 -1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.688 15.236 -1.587 1.00 0.00 H new ATOM 369 N GLU A 23 12.566 17.195 1.257 1.00 0.00 N ATOM 370 CA GLU A 23 13.348 17.161 2.504 1.00 0.00 C ATOM 371 C GLU A 23 13.962 18.528 2.872 1.00 0.00 C ATOM 372 O GLU A 23 14.159 19.392 2.011 1.00 0.00 O ATOM 373 CB GLU A 23 14.427 16.058 2.426 1.00 0.00 C ATOM 374 CG GLU A 23 15.583 16.361 1.460 1.00 0.00 C ATOM 375 CD GLU A 23 16.675 17.240 2.081 1.00 0.00 C ATOM 376 OE1 GLU A 23 17.130 18.210 1.433 1.00 0.00 O ATOM 377 OE2 GLU A 23 17.131 16.932 3.204 1.00 0.00 O1- ATOM 0 H GLU A 23 12.826 17.955 0.629 1.00 0.00 H new ATOM 0 HA GLU A 23 12.656 16.922 3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.837 15.898 3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.953 15.125 2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.026 15.422 1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.187 16.857 0.574 1.00 0.00 H new ATOM 384 N VAL A 24 14.286 18.691 4.160 1.00 0.00 N ATOM 385 CA VAL A 24 14.906 19.879 4.778 1.00 0.00 C ATOM 386 C VAL A 24 15.904 19.450 5.868 1.00 0.00 C ATOM 387 O VAL A 24 15.625 18.521 6.632 1.00 0.00 O ATOM 388 CB VAL A 24 13.832 20.822 5.373 1.00 0.00 C ATOM 389 CG1 VAL A 24 14.437 22.106 5.946 1.00 0.00 C ATOM 390 CG2 VAL A 24 12.765 21.226 4.342 1.00 0.00 C ATOM 0 H VAL A 24 14.114 17.954 4.844 1.00 0.00 H new ATOM 0 HA VAL A 24 15.442 20.426 4.002 1.00 0.00 H new ATOM 0 HB VAL A 24 13.368 20.244 6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.643 22.733 6.351 1.00 0.00 H new ATOM 0 HG12 VAL A 24 15.141 21.854 6.739 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.959 22.646 5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.037 21.887 4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.241 21.744 3.509 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.260 20.334 3.973 1.00 0.00 H new ATOM 400 N ARG A 25 17.048 20.128 5.969 1.00 0.00 N ATOM 401 CA ARG A 25 18.131 19.904 6.948 1.00 0.00 C ATOM 402 C ARG A 25 18.524 21.202 7.654 1.00 0.00 C ATOM 403 O ARG A 25 18.799 22.199 6.989 1.00 0.00 O ATOM 404 CB ARG A 25 19.371 19.339 6.231 1.00 0.00 C ATOM 405 CG ARG A 25 19.261 17.853 5.860 1.00 0.00 C ATOM 406 CD ARG A 25 20.226 17.484 4.728 1.00 0.00 C ATOM 407 NE ARG A 25 19.722 18.010 3.450 1.00 0.00 N ATOM 408 CZ ARG A 25 20.334 18.755 2.558 1.00 0.00 C ATOM 409 NH1 ARG A 25 21.596 19.050 2.592 1.00 0.00 N1+ ATOM 410 NH2 ARG A 25 19.671 19.251 1.563 1.00 0.00 N ATOM 0 H ARG A 25 17.264 20.897 5.334 1.00 0.00 H new ATOM 0 HA ARG A 25 17.764 19.197 7.692 1.00 0.00 H new ATOM 0 HB2 ARG A 25 19.547 19.916 5.323 1.00 0.00 H new ATOM 0 HB3 ARG A 25 20.242 19.479 6.871 1.00 0.00 H new ATOM 0 HG2 ARG A 25 19.475 17.241 6.736 1.00 0.00 H new ATOM 0 HG3 ARG A 25 18.239 17.627 5.556 1.00 0.00 H new ATOM 0 HD2 ARG A 25 21.216 17.892 4.934 1.00 0.00 H new ATOM 0 HD3 ARG A 25 20.334 16.401 4.669 1.00 0.00 H new ATOM 0 HE ARG A 25 18.759 17.760 3.224 1.00 0.00 H new ATOM 0 HH11 ARG A 25 22.182 18.696 3.348 1.00 0.00 H new ATOM 0 HH12 ARG A 25 22.003 19.636 1.863 1.00 0.00 H new ATOM 0 HH21 ARG A 25 18.673 19.063 1.471 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.147 19.829 0.871 1.00 0.00 H new ATOM 424 N ALA A 26 18.639 21.174 8.980 1.00 0.00 N ATOM 425 CA ALA A 26 19.333 22.210 9.744 1.00 0.00 C ATOM 426 C ALA A 26 20.852 21.944 9.758 1.00 0.00 C ATOM 427 O ALA A 26 21.309 20.876 10.171 1.00 0.00 O ATOM 428 CB ALA A 26 18.742 22.287 11.158 1.00 0.00 C ATOM 0 H ALA A 26 18.252 20.428 9.558 1.00 0.00 H new ATOM 0 HA ALA A 26 19.187 23.179 9.268 1.00 0.00 H new ATOM 0 HB1 ALA A 26 19.260 23.059 11.727 1.00 0.00 H new ATOM 0 HB2 ALA A 26 17.681 22.531 11.096 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.865 21.325 11.656 1.00 0.00 H new ATOM 434 N GLU A 27 21.632 22.922 9.307 1.00 0.00 N ATOM 435 CA GLU A 27 23.101 22.972 9.407 1.00 0.00 C ATOM 436 C GLU A 27 23.545 23.767 10.652 1.00 0.00 C ATOM 437 O GLU A 27 22.734 24.401 11.342 1.00 0.00 O ATOM 438 CB GLU A 27 23.683 23.625 8.137 1.00 0.00 C ATOM 439 CG GLU A 27 23.551 22.794 6.859 1.00 0.00 C ATOM 440 CD GLU A 27 24.680 21.761 6.685 1.00 0.00 C ATOM 441 OE1 GLU A 27 25.101 21.523 5.526 1.00 0.00 O ATOM 442 OE2 GLU A 27 25.165 21.184 7.689 1.00 0.00 O1- ATOM 0 H GLU A 27 21.247 23.742 8.839 1.00 0.00 H new ATOM 0 HA GLU A 27 23.475 21.953 9.502 1.00 0.00 H new ATOM 0 HB2 GLU A 27 23.188 24.583 7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 27 24.739 23.836 8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 27 22.592 22.276 6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 27 23.544 23.463 5.998 1.00 0.00 H new ATOM 449 N GLY A 28 24.850 23.789 10.928 1.00 0.00 N ATOM 450 CA GLY A 28 25.461 24.715 11.889 1.00 0.00 C ATOM 451 C GLY A 28 25.423 26.163 11.387 1.00 0.00 C ATOM 452 O GLY A 28 26.390 26.644 10.795 1.00 0.00 O ATOM 0 H GLY A 28 25.521 23.159 10.488 1.00 0.00 H new ATOM 0 HA2 GLY A 28 24.937 24.647 12.843 1.00 0.00 H new ATOM 0 HA3 GLY A 28 26.495 24.420 12.071 1.00 0.00 H new ATOM 456 N GLY A 29 24.303 26.855 11.616 1.00 0.00 N ATOM 457 CA GLY A 29 24.093 28.262 11.256 1.00 0.00 C ATOM 458 C GLY A 29 23.342 28.521 9.940 1.00 0.00 C ATOM 459 O GLY A 29 23.393 29.644 9.428 1.00 0.00 O ATOM 0 H GLY A 29 23.491 26.439 12.072 1.00 0.00 H new ATOM 0 HA2 GLY A 29 23.544 28.744 12.065 1.00 0.00 H new ATOM 0 HA3 GLY A 29 25.066 28.749 11.197 1.00 0.00 H new ATOM 463 N ALA A 30 22.673 27.516 9.367 1.00 0.00 N ATOM 464 CA ALA A 30 21.913 27.620 8.113 1.00 0.00 C ATOM 465 C ALA A 30 20.817 26.535 8.005 1.00 0.00 C ATOM 466 O ALA A 30 20.796 25.582 8.785 1.00 0.00 O ATOM 467 CB ALA A 30 22.896 27.516 6.936 1.00 0.00 C ATOM 0 H ALA A 30 22.643 26.580 9.772 1.00 0.00 H new ATOM 0 HA ALA A 30 21.401 28.582 8.093 1.00 0.00 H new ATOM 0 HB1 ALA A 30 22.348 27.591 5.997 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.624 28.325 6.997 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.414 26.558 6.978 1.00 0.00 H new ATOM 473 N VAL A 31 19.935 26.651 7.006 1.00 0.00 N ATOM 474 CA VAL A 31 19.019 25.572 6.567 1.00 0.00 C ATOM 475 C VAL A 31 19.224 25.250 5.079 1.00 0.00 C ATOM 476 O VAL A 31 19.479 26.150 4.274 1.00 0.00 O ATOM 477 CB VAL A 31 17.547 25.908 6.886 1.00 0.00 C ATOM 478 CG1 VAL A 31 16.553 24.919 6.271 1.00 0.00 C ATOM 479 CG2 VAL A 31 17.292 25.896 8.399 1.00 0.00 C ATOM 0 H VAL A 31 19.830 27.509 6.465 1.00 0.00 H new ATOM 0 HA VAL A 31 19.266 24.675 7.135 1.00 0.00 H new ATOM 0 HB VAL A 31 17.390 26.898 6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.537 25.213 6.534 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.662 24.920 5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.751 23.918 6.654 1.00 0.00 H new ATOM 0 HG21 VAL A 31 16.247 26.136 8.594 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.518 24.907 8.798 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.930 26.636 8.881 1.00 0.00 H new ATOM 489 N ARG A 32 19.116 23.965 4.715 1.00 0.00 N ATOM 490 CA ARG A 32 19.180 23.430 3.340 1.00 0.00 C ATOM 491 C ARG A 32 17.896 22.671 2.987 1.00 0.00 C ATOM 492 O ARG A 32 17.285 22.056 3.862 1.00 0.00 O ATOM 493 CB ARG A 32 20.431 22.540 3.172 1.00 0.00 C ATOM 494 CG ARG A 32 21.736 23.346 3.294 1.00 0.00 C ATOM 495 CD ARG A 32 22.983 22.456 3.391 1.00 0.00 C ATOM 496 NE ARG A 32 23.347 21.791 2.129 1.00 0.00 N ATOM 497 CZ ARG A 32 24.491 21.182 1.872 1.00 0.00 C ATOM 498 NH1 ARG A 32 25.431 21.048 2.767 1.00 0.00 N1+ ATOM 499 NH2 ARG A 32 24.709 20.670 0.694 1.00 0.00 N ATOM 0 H ARG A 32 18.974 23.228 5.406 1.00 0.00 H new ATOM 0 HA ARG A 32 19.264 24.264 2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 32 20.420 21.753 3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.398 22.049 2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 32 21.832 24.004 2.431 1.00 0.00 H new ATOM 0 HG3 ARG A 32 21.682 23.984 4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.824 23.063 3.725 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.815 21.696 4.154 1.00 0.00 H new ATOM 0 HE ARG A 32 22.651 21.801 1.383 1.00 0.00 H new ATOM 0 HH11 ARG A 32 25.297 21.421 3.707 1.00 0.00 H new ATOM 0 HH12 ARG A 32 26.300 20.571 2.527 1.00 0.00 H new ATOM 0 HH21 ARG A 32 23.996 20.739 -0.032 1.00 0.00 H new ATOM 0 HH22 ARG A 32 25.593 20.200 0.498 1.00 0.00 H new ATOM 513 N VAL A 33 17.473 22.727 1.725 1.00 0.00 N ATOM 514 CA VAL A 33 16.152 22.277 1.228 1.00 0.00 C ATOM 515 C VAL A 33 16.321 21.597 -0.138 1.00 0.00 C ATOM 516 O VAL A 33 17.044 22.141 -0.971 1.00 0.00 O ATOM 517 CB VAL A 33 15.203 23.490 1.085 1.00 0.00 C ATOM 518 CG1 VAL A 33 13.833 23.100 0.531 1.00 0.00 C ATOM 519 CG2 VAL A 33 14.987 24.237 2.410 1.00 0.00 C ATOM 0 H VAL A 33 18.060 23.102 0.980 1.00 0.00 H new ATOM 0 HA VAL A 33 15.726 21.569 1.938 1.00 0.00 H new ATOM 0 HB VAL A 33 15.708 24.149 0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.207 23.988 0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.954 22.651 -0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.360 22.382 1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.313 25.078 2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.551 23.559 3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.944 24.605 2.780 1.00 0.00 H new ATOM 529 N THR A 34 15.636 20.481 -0.415 1.00 0.00 N ATOM 530 CA THR A 34 15.680 19.811 -1.742 1.00 0.00 C ATOM 531 C THR A 34 14.289 19.474 -2.294 1.00 0.00 C ATOM 532 O THR A 34 13.417 18.976 -1.576 1.00 0.00 O ATOM 533 CB THR A 34 16.569 18.553 -1.750 1.00 0.00 C ATOM 534 OG1 THR A 34 17.793 18.783 -1.097 1.00 0.00 O ATOM 535 CG2 THR A 34 16.913 18.068 -3.159 1.00 0.00 C ATOM 0 H THR A 34 15.036 20.011 0.263 1.00 0.00 H new ATOM 0 HA THR A 34 16.132 20.548 -2.405 1.00 0.00 H new ATOM 0 HB THR A 34 15.978 17.796 -1.234 1.00 0.00 H new ATOM 0 HG1 THR A 34 17.789 18.333 -0.226 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.541 17.179 -3.095 1.00 0.00 H new ATOM 0 HG22 THR A 34 15.995 17.826 -3.695 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.448 18.853 -3.693 1.00 0.00 H new ATOM 543 N THR A 35 14.074 19.756 -3.583 1.00 0.00 N ATOM 544 CA THR A 35 12.812 19.524 -4.308 1.00 0.00 C ATOM 545 C THR A 35 12.676 18.106 -4.881 1.00 0.00 C ATOM 546 O THR A 35 13.635 17.334 -4.950 1.00 0.00 O ATOM 547 CB THR A 35 12.640 20.541 -5.452 1.00 0.00 C ATOM 548 OG1 THR A 35 13.582 20.295 -6.475 1.00 0.00 O ATOM 549 CG2 THR A 35 12.782 21.991 -4.988 1.00 0.00 C ATOM 0 H THR A 35 14.797 20.167 -4.174 1.00 0.00 H new ATOM 0 HA THR A 35 12.028 19.651 -3.562 1.00 0.00 H new ATOM 0 HB THR A 35 11.625 20.408 -5.827 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.460 20.947 -7.196 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.651 22.660 -5.839 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.024 22.208 -4.235 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.773 22.140 -4.559 1.00 0.00 H new ATOM 557 N LEU A 36 11.475 17.789 -5.374 1.00 0.00 N ATOM 558 CA LEU A 36 11.132 16.615 -6.185 1.00 0.00 C ATOM 559 C LEU A 36 12.045 16.435 -7.417 1.00 0.00 C ATOM 560 O LEU A 36 12.280 15.307 -7.856 1.00 0.00 O ATOM 561 CB LEU A 36 9.651 16.793 -6.582 1.00 0.00 C ATOM 562 CG LEU A 36 9.075 15.760 -7.567 1.00 0.00 C ATOM 563 CD1 LEU A 36 9.110 14.330 -7.023 1.00 0.00 C ATOM 564 CD2 LEU A 36 7.613 16.102 -7.863 1.00 0.00 C ATOM 0 H LEU A 36 10.663 18.384 -5.207 1.00 0.00 H new ATOM 0 HA LEU A 36 11.286 15.702 -5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.049 16.771 -5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.532 17.784 -7.019 1.00 0.00 H new ATOM 0 HG LEU A 36 9.697 15.804 -8.461 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.691 13.649 -7.763 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.141 14.046 -6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.523 14.275 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.203 15.372 -8.561 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.040 16.081 -6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.554 17.097 -8.303 1.00 0.00 H new ATOM 576 N PHE A 37 12.591 17.534 -7.946 1.00 0.00 N ATOM 577 CA PHE A 37 13.471 17.563 -9.123 1.00 0.00 C ATOM 578 C PHE A 37 14.971 17.617 -8.761 1.00 0.00 C ATOM 579 O PHE A 37 15.809 17.935 -9.610 1.00 0.00 O ATOM 580 CB PHE A 37 12.985 18.674 -10.066 1.00 0.00 C ATOM 581 CG PHE A 37 11.501 18.527 -10.378 1.00 0.00 C ATOM 582 CD1 PHE A 37 10.551 19.341 -9.726 1.00 0.00 C ATOM 583 CD2 PHE A 37 11.062 17.482 -11.213 1.00 0.00 C ATOM 584 CE1 PHE A 37 9.177 19.106 -9.903 1.00 0.00 C ATOM 585 CE2 PHE A 37 9.687 17.245 -11.392 1.00 0.00 C ATOM 586 CZ PHE A 37 8.747 18.051 -10.731 1.00 0.00 C ATOM 0 H PHE A 37 12.428 18.462 -7.554 1.00 0.00 H new ATOM 0 HA PHE A 37 13.399 16.618 -9.662 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.168 19.647 -9.610 1.00 0.00 H new ATOM 0 HB3 PHE A 37 13.558 18.644 -10.993 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.881 20.148 -9.088 1.00 0.00 H new ATOM 0 HD2 PHE A 37 11.785 16.859 -11.719 1.00 0.00 H new ATOM 0 HE1 PHE A 37 8.452 19.733 -9.405 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.355 16.445 -12.037 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.691 17.862 -10.858 1.00 0.00 H new ATOM 596 N ASP A 38 15.314 17.263 -7.514 1.00 0.00 N ATOM 597 CA ASP A 38 16.676 17.176 -6.961 1.00 0.00 C ATOM 598 C ASP A 38 17.457 18.515 -6.975 1.00 0.00 C ATOM 599 O ASP A 38 18.689 18.520 -6.961 1.00 0.00 O ATOM 600 CB ASP A 38 17.432 15.992 -7.603 1.00 0.00 C ATOM 601 CG ASP A 38 18.655 15.496 -6.805 1.00 0.00 C ATOM 602 OD1 ASP A 38 19.566 14.889 -7.422 1.00 0.00 O ATOM 603 OD2 ASP A 38 18.698 15.639 -5.557 1.00 0.00 O1- ATOM 0 H ASP A 38 14.607 17.015 -6.822 1.00 0.00 H new ATOM 0 HA ASP A 38 16.585 16.968 -5.895 1.00 0.00 H new ATOM 0 HB2 ASP A 38 16.737 15.162 -7.730 1.00 0.00 H new ATOM 0 HB3 ASP A 38 17.761 16.287 -8.599 1.00 0.00 H new ATOM 608 N GLU A 39 16.754 19.654 -7.016 1.00 0.00 N ATOM 609 CA GLU A 39 17.375 20.980 -6.903 1.00 0.00 C ATOM 610 C GLU A 39 17.535 21.359 -5.424 1.00 0.00 C ATOM 611 O GLU A 39 16.547 21.467 -4.693 1.00 0.00 O ATOM 612 CB GLU A 39 16.559 22.050 -7.649 1.00 0.00 C ATOM 613 CG GLU A 39 16.441 21.749 -9.152 1.00 0.00 C ATOM 614 CD GLU A 39 15.941 22.949 -9.981 1.00 0.00 C ATOM 615 OE1 GLU A 39 15.143 23.775 -9.471 1.00 0.00 O ATOM 616 OE2 GLU A 39 16.339 23.068 -11.166 1.00 0.00 O1- ATOM 0 H GLU A 39 15.741 19.682 -7.128 1.00 0.00 H new ATOM 0 HA GLU A 39 18.359 20.934 -7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.562 22.113 -7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 39 17.029 23.024 -7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 39 17.415 21.437 -9.530 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.760 20.910 -9.294 1.00 0.00 H new ATOM 623 N GLU A 40 18.779 21.553 -4.965 1.00 0.00 N ATOM 624 CA GLU A 40 19.071 22.028 -3.611 1.00 0.00 C ATOM 625 C GLU A 40 19.063 23.569 -3.520 1.00 0.00 C ATOM 626 O GLU A 40 19.581 24.264 -4.402 1.00 0.00 O ATOM 627 CB GLU A 40 20.387 21.429 -3.089 1.00 0.00 C ATOM 628 CG GLU A 40 20.639 21.828 -1.623 1.00 0.00 C ATOM 629 CD GLU A 40 21.803 21.075 -0.958 1.00 0.00 C ATOM 630 OE1 GLU A 40 21.655 20.663 0.217 1.00 0.00 O ATOM 631 OE2 GLU A 40 22.914 20.970 -1.533 1.00 0.00 O1- ATOM 0 H GLU A 40 19.613 21.383 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 40 18.268 21.678 -2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 40 20.353 20.343 -3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 40 21.216 21.770 -3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 40 20.840 22.898 -1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 40 19.730 21.651 -1.048 1.00 0.00 H new ATOM 638 N HIS A 41 18.532 24.091 -2.413 1.00 0.00 N ATOM 639 CA HIS A 41 18.547 25.501 -2.007 1.00 0.00 C ATOM 640 C HIS A 41 19.137 25.627 -0.588 1.00 0.00 C ATOM 641 O HIS A 41 18.989 24.698 0.213 1.00 0.00 O ATOM 642 CB HIS A 41 17.122 26.074 -2.062 1.00 0.00 C ATOM 643 CG HIS A 41 16.389 25.817 -3.361 1.00 0.00 C ATOM 644 ND1 HIS A 41 16.483 26.594 -4.524 1.00 0.00 N ATOM 645 CD2 HIS A 41 15.560 24.761 -3.603 1.00 0.00 C ATOM 646 CE1 HIS A 41 15.691 25.993 -5.430 1.00 0.00 C ATOM 647 NE2 HIS A 41 15.129 24.888 -4.906 1.00 0.00 N ATOM 0 H HIS A 41 18.049 23.505 -1.732 1.00 0.00 H new ATOM 0 HA HIS A 41 19.173 26.072 -2.693 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.542 25.649 -1.243 1.00 0.00 H new ATOM 0 HB3 HIS A 41 17.170 27.150 -1.894 1.00 0.00 H new ATOM 0 HD2 HIS A 41 15.293 23.978 -2.909 1.00 0.00 H new ATOM 0 HE1 HIS A 41 15.529 26.348 -6.437 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.493 24.254 -5.390 1.00 0.00 H new ATOM 655 N ALA A 42 19.787 26.746 -0.262 1.00 0.00 N ATOM 656 CA ALA A 42 20.464 26.954 1.023 1.00 0.00 C ATOM 657 C ALA A 42 20.343 28.405 1.526 1.00 0.00 C ATOM 658 O ALA A 42 20.461 29.354 0.744 1.00 0.00 O ATOM 659 CB ALA A 42 21.928 26.523 0.887 1.00 0.00 C ATOM 0 H ALA A 42 19.860 27.546 -0.891 1.00 0.00 H new ATOM 0 HA ALA A 42 19.972 26.340 1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 42 22.441 26.673 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 42 21.973 25.469 0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 42 22.413 27.120 0.114 1.00 0.00 H new ATOM 665 N PHE A 43 20.127 28.561 2.835 1.00 0.00 N ATOM 666 CA PHE A 43 19.754 29.828 3.481 1.00 0.00 C ATOM 667 C PHE A 43 20.426 29.990 4.862 1.00 0.00 C ATOM 668 O PHE A 43 20.012 29.334 5.826 1.00 0.00 O ATOM 669 CB PHE A 43 18.221 29.880 3.603 1.00 0.00 C ATOM 670 CG PHE A 43 17.496 29.787 2.275 1.00 0.00 C ATOM 671 CD1 PHE A 43 16.974 28.554 1.842 1.00 0.00 C ATOM 672 CD2 PHE A 43 17.387 30.929 1.450 1.00 0.00 C ATOM 673 CE1 PHE A 43 16.365 28.451 0.578 1.00 0.00 C ATOM 674 CE2 PHE A 43 16.779 30.820 0.185 1.00 0.00 C ATOM 675 CZ PHE A 43 16.274 29.585 -0.253 1.00 0.00 C ATOM 0 H PHE A 43 20.209 27.788 3.496 1.00 0.00 H new ATOM 0 HA PHE A 43 20.107 30.658 2.868 1.00 0.00 H new ATOM 0 HB2 PHE A 43 17.889 29.064 4.245 1.00 0.00 H new ATOM 0 HB3 PHE A 43 17.937 30.809 4.097 1.00 0.00 H new ATOM 0 HD1 PHE A 43 17.041 27.686 2.481 1.00 0.00 H new ATOM 0 HD2 PHE A 43 17.768 31.881 1.788 1.00 0.00 H new ATOM 0 HE1 PHE A 43 15.968 27.504 0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 43 16.701 31.689 -0.451 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.816 29.504 -1.228 1.00 0.00 H new ATOM 685 N PRO A 44 21.456 30.851 4.994 1.00 0.00 N ATOM 686 CA PRO A 44 22.097 31.134 6.274 1.00 0.00 C ATOM 687 C PRO A 44 21.162 31.797 7.296 1.00 0.00 C ATOM 688 O PRO A 44 20.252 32.549 6.942 1.00 0.00 O ATOM 689 CB PRO A 44 23.299 32.031 5.955 1.00 0.00 C ATOM 690 CG PRO A 44 23.617 31.697 4.504 1.00 0.00 C ATOM 691 CD PRO A 44 22.227 31.461 3.920 1.00 0.00 C ATOM 0 HA PRO A 44 22.397 30.200 6.750 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.057 33.086 6.080 1.00 0.00 H new ATOM 0 HB3 PRO A 44 24.144 31.818 6.610 1.00 0.00 H new ATOM 0 HG2 PRO A 44 24.137 32.513 4.002 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.251 30.814 4.418 1.00 0.00 H new ATOM 0 HD2 PRO A 44 21.774 32.397 3.593 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.272 30.808 3.049 1.00 0.00 H new ATOM 699 N GLY A 45 21.420 31.552 8.583 1.00 0.00 N ATOM 700 CA GLY A 45 20.762 32.228 9.713 1.00 0.00 C ATOM 701 C GLY A 45 19.345 31.744 10.046 1.00 0.00 C ATOM 702 O GLY A 45 18.692 32.333 10.906 1.00 0.00 O ATOM 0 H GLY A 45 22.109 30.861 8.880 1.00 0.00 H new ATOM 0 HA2 GLY A 45 21.385 32.105 10.599 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.720 33.296 9.499 1.00 0.00 H new ATOM 706 N LEU A 46 18.860 30.689 9.387 1.00 0.00 N ATOM 707 CA LEU A 46 17.557 30.072 9.653 1.00 0.00 C ATOM 708 C LEU A 46 17.647 28.837 10.569 1.00 0.00 C ATOM 709 O LEU A 46 18.708 28.228 10.735 1.00 0.00 O ATOM 710 CB LEU A 46 16.859 29.721 8.319 1.00 0.00 C ATOM 711 CG LEU A 46 16.582 30.913 7.386 1.00 0.00 C ATOM 712 CD1 LEU A 46 15.764 30.428 6.192 1.00 0.00 C ATOM 713 CD2 LEU A 46 15.789 32.038 8.056 1.00 0.00 C ATOM 0 H LEU A 46 19.374 30.229 8.636 1.00 0.00 H new ATOM 0 HA LEU A 46 16.959 30.805 10.195 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.476 28.999 7.785 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.913 29.228 8.542 1.00 0.00 H new ATOM 0 HG LEU A 46 17.554 31.311 7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.562 31.266 5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.324 29.662 5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.821 30.009 6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 46 15.629 32.846 7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.825 31.654 8.391 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.347 32.416 8.913 1.00 0.00 H new ATOM 725 N ALA A 47 16.495 28.453 11.112 1.00 0.00 N ATOM 726 CA ALA A 47 16.217 27.195 11.802 1.00 0.00 C ATOM 727 C ALA A 47 14.803 26.688 11.441 1.00 0.00 C ATOM 728 O ALA A 47 13.937 27.468 11.035 1.00 0.00 O ATOM 729 CB ALA A 47 16.389 27.408 13.316 1.00 0.00 C ATOM 0 H ALA A 47 15.672 29.055 11.079 1.00 0.00 H new ATOM 0 HA ALA A 47 16.920 26.426 11.483 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.184 26.475 13.840 1.00 0.00 H new ATOM 0 HB2 ALA A 47 17.411 27.725 13.525 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.694 28.176 13.657 1.00 0.00 H new ATOM 735 N ILE A 48 14.552 25.385 11.577 1.00 0.00 N ATOM 736 CA ILE A 48 13.242 24.780 11.272 1.00 0.00 C ATOM 737 C ILE A 48 12.271 25.073 12.430 1.00 0.00 C ATOM 738 O ILE A 48 12.483 24.605 13.555 1.00 0.00 O ATOM 739 CB ILE A 48 13.377 23.266 10.971 1.00 0.00 C ATOM 740 CG1 ILE A 48 14.404 22.986 9.842 1.00 0.00 C ATOM 741 CG2 ILE A 48 11.997 22.689 10.602 1.00 0.00 C ATOM 742 CD1 ILE A 48 14.739 21.495 9.672 1.00 0.00 C ATOM 0 H ILE A 48 15.248 24.714 11.902 1.00 0.00 H new ATOM 0 HA ILE A 48 12.834 25.226 10.365 1.00 0.00 H new ATOM 0 HB ILE A 48 13.750 22.775 11.870 1.00 0.00 H new ATOM 0 HG12 ILE A 48 14.011 23.371 8.901 1.00 0.00 H new ATOM 0 HG13 ILE A 48 15.322 23.535 10.053 1.00 0.00 H new ATOM 0 HG21 ILE A 48 12.093 21.624 10.390 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.308 22.833 11.434 1.00 0.00 H new ATOM 0 HG23 ILE A 48 11.613 23.201 9.720 1.00 0.00 H new ATOM 0 HD11 ILE A 48 15.463 21.374 8.866 1.00 0.00 H new ATOM 0 HD12 ILE A 48 15.162 21.109 10.600 1.00 0.00 H new ATOM 0 HD13 ILE A 48 13.831 20.943 9.430 1.00 0.00 H new ATOM 754 N GLY A 49 11.232 25.875 12.182 1.00 0.00 N ATOM 755 CA GLY A 49 10.315 26.399 13.205 1.00 0.00 C ATOM 756 C GLY A 49 9.027 25.592 13.381 1.00 0.00 C ATOM 757 O GLY A 49 8.608 25.339 14.513 1.00 0.00 O ATOM 0 H GLY A 49 10.997 26.188 11.240 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.839 26.434 14.160 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.053 27.425 12.947 1.00 0.00 H new ATOM 761 N ARG A 50 8.392 25.170 12.279 1.00 0.00 N ATOM 762 CA ARG A 50 7.159 24.360 12.285 1.00 0.00 C ATOM 763 C ARG A 50 7.080 23.449 11.060 1.00 0.00 C ATOM 764 O ARG A 50 7.506 23.833 9.971 1.00 0.00 O ATOM 765 CB ARG A 50 5.928 25.284 12.415 1.00 0.00 C ATOM 766 CG ARG A 50 4.595 24.527 12.502 1.00 0.00 C ATOM 767 CD ARG A 50 3.415 25.472 12.783 1.00 0.00 C ATOM 768 NE ARG A 50 2.146 24.722 12.822 1.00 0.00 N ATOM 769 CZ ARG A 50 1.325 24.476 11.816 1.00 0.00 C ATOM 770 NH1 ARG A 50 1.480 24.969 10.618 1.00 0.00 N1+ ATOM 771 NH2 ARG A 50 0.310 23.692 11.990 1.00 0.00 N ATOM 0 H ARG A 50 8.725 25.384 11.339 1.00 0.00 H new ATOM 0 HA ARG A 50 7.174 23.698 13.151 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.042 25.904 13.304 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.898 25.957 11.558 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.419 23.994 11.568 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.655 23.777 13.290 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.570 25.984 13.733 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.366 26.240 12.011 1.00 0.00 H new ATOM 0 HE ARG A 50 1.870 24.350 13.731 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.270 25.582 10.417 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.811 24.741 9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.145 23.266 12.902 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.325 23.500 11.215 1.00 0.00 H new ATOM 785 N VAL A 51 6.495 22.268 11.238 1.00 0.00 N ATOM 786 CA VAL A 51 6.189 21.268 10.205 1.00 0.00 C ATOM 787 C VAL A 51 4.716 20.866 10.324 1.00 0.00 C ATOM 788 O VAL A 51 4.243 20.610 11.429 1.00 0.00 O ATOM 789 CB VAL A 51 7.098 20.026 10.354 1.00 0.00 C ATOM 790 CG1 VAL A 51 6.858 19.002 9.236 1.00 0.00 C ATOM 791 CG2 VAL A 51 8.588 20.405 10.353 1.00 0.00 C ATOM 0 H VAL A 51 6.201 21.959 12.164 1.00 0.00 H new ATOM 0 HA VAL A 51 6.375 21.700 9.222 1.00 0.00 H new ATOM 0 HB VAL A 51 6.836 19.581 11.314 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.517 18.146 9.379 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.820 18.670 9.264 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.066 19.462 8.270 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.193 19.504 10.460 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.837 20.900 9.414 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.792 21.080 11.184 1.00 0.00 H new ATOM 801 N ASP A 52 3.987 20.788 9.215 1.00 0.00 N ATOM 802 CA ASP A 52 2.562 20.444 9.163 1.00 0.00 C ATOM 803 C ASP A 52 2.272 19.574 7.935 1.00 0.00 C ATOM 804 O ASP A 52 2.284 20.053 6.797 1.00 0.00 O ATOM 805 CB ASP A 52 1.747 21.748 9.199 1.00 0.00 C ATOM 806 CG ASP A 52 0.220 21.562 9.217 1.00 0.00 C ATOM 807 OD1 ASP A 52 -0.296 20.470 8.879 1.00 0.00 O ATOM 808 OD2 ASP A 52 -0.468 22.552 9.568 1.00 0.00 O1- ATOM 0 H ASP A 52 4.383 20.968 8.292 1.00 0.00 H new ATOM 0 HA ASP A 52 2.269 19.846 10.026 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.039 22.316 10.082 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.014 22.349 8.330 1.00 0.00 H new ATOM 813 N LEU A 53 2.040 18.279 8.166 1.00 0.00 N ATOM 814 CA LEU A 53 1.857 17.264 7.132 1.00 0.00 C ATOM 815 C LEU A 53 0.423 17.234 6.577 1.00 0.00 C ATOM 816 O LEU A 53 0.218 16.868 5.418 1.00 0.00 O ATOM 817 CB LEU A 53 2.249 15.874 7.683 1.00 0.00 C ATOM 818 CG LEU A 53 3.674 15.668 8.236 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.747 16.297 7.349 1.00 0.00 C ATOM 820 CD2 LEU A 53 3.869 16.145 9.682 1.00 0.00 C ATOM 0 H LEU A 53 1.973 17.899 9.110 1.00 0.00 H new ATOM 0 HA LEU A 53 2.511 17.528 6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.547 15.625 8.479 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.097 15.148 6.885 1.00 0.00 H new ATOM 0 HG LEU A 53 3.794 14.585 8.232 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.730 16.121 7.787 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.707 15.849 6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.571 17.370 7.271 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.899 15.962 9.990 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.655 17.212 9.745 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.192 15.600 10.339 1.00 0.00 H new ATOM 832 N ARG A 54 -0.573 17.657 7.371 1.00 0.00 N ATOM 833 CA ARG A 54 -1.977 17.800 6.948 1.00 0.00 C ATOM 834 C ARG A 54 -2.155 18.982 5.985 1.00 0.00 C ATOM 835 O ARG A 54 -2.841 18.847 4.972 1.00 0.00 O ATOM 836 CB ARG A 54 -2.861 17.928 8.199 1.00 0.00 C ATOM 837 CG ARG A 54 -4.353 18.038 7.858 1.00 0.00 C ATOM 838 CD ARG A 54 -5.251 17.922 9.093 1.00 0.00 C ATOM 839 NE ARG A 54 -4.965 18.975 10.090 1.00 0.00 N ATOM 840 CZ ARG A 54 -5.468 19.058 11.306 1.00 0.00 C ATOM 841 NH1 ARG A 54 -6.316 18.183 11.767 1.00 0.00 N1+ ATOM 842 NH2 ARG A 54 -5.120 20.033 12.099 1.00 0.00 N ATOM 0 H ARG A 54 -0.423 17.915 8.346 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.284 16.914 6.393 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.702 17.062 8.842 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.556 18.807 8.767 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.540 18.993 7.366 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.618 17.256 7.146 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.296 17.986 8.788 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.112 16.943 9.551 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.315 19.709 9.810 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.611 17.402 11.182 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.684 18.279 12.713 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.455 20.737 11.780 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.513 20.091 13.038 1.00 0.00 H new ATOM 856 N SER A 55 -1.503 20.109 6.273 1.00 0.00 N ATOM 857 CA SER A 55 -1.462 21.294 5.401 1.00 0.00 C ATOM 858 C SER A 55 -0.453 21.153 4.247 1.00 0.00 C ATOM 859 O SER A 55 -0.677 21.679 3.152 1.00 0.00 O ATOM 860 CB SER A 55 -1.152 22.527 6.251 1.00 0.00 C ATOM 861 OG SER A 55 -1.273 23.718 5.491 1.00 0.00 O ATOM 0 H SER A 55 -0.975 20.231 7.137 1.00 0.00 H new ATOM 0 HA SER A 55 -2.440 21.401 4.932 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.832 22.565 7.102 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.142 22.450 6.653 1.00 0.00 H new ATOM 0 HG SER A 55 -1.071 24.491 6.059 1.00 0.00 H new ATOM 867 N GLY A 56 0.650 20.427 4.459 1.00 0.00 N ATOM 868 CA GLY A 56 1.755 20.283 3.501 1.00 0.00 C ATOM 869 C GLY A 56 2.698 21.491 3.508 1.00 0.00 C ATOM 870 O GLY A 56 3.057 22.003 2.442 1.00 0.00 O ATOM 0 H GLY A 56 0.804 19.909 5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.322 19.382 3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.348 20.150 2.499 1.00 0.00 H new ATOM 874 N VAL A 57 3.081 21.982 4.694 1.00 0.00 N ATOM 875 CA VAL A 57 3.866 23.216 4.892 1.00 0.00 C ATOM 876 C VAL A 57 4.990 23.025 5.912 1.00 0.00 C ATOM 877 O VAL A 57 4.807 22.384 6.947 1.00 0.00 O ATOM 878 CB VAL A 57 2.949 24.404 5.279 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.724 25.697 5.547 1.00 0.00 C ATOM 880 CG2 VAL A 57 1.939 24.719 4.169 1.00 0.00 C ATOM 0 H VAL A 57 2.847 21.519 5.573 1.00 0.00 H new ATOM 0 HA VAL A 57 4.340 23.453 3.939 1.00 0.00 H new ATOM 0 HB VAL A 57 2.447 24.080 6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.026 26.491 5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.423 25.539 6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.275 25.983 4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.312 25.557 4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.472 24.979 3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.313 23.845 3.988 1.00 0.00 H new ATOM 890 N ILE A 58 6.142 23.637 5.644 1.00 0.00 N ATOM 891 CA ILE A 58 7.280 23.792 6.563 1.00 0.00 C ATOM 892 C ILE A 58 7.609 25.288 6.694 1.00 0.00 C ATOM 893 O ILE A 58 7.839 25.965 5.691 1.00 0.00 O ATOM 894 CB ILE A 58 8.498 22.965 6.082 1.00 0.00 C ATOM 895 CG1 ILE A 58 8.194 21.450 6.102 1.00 0.00 C ATOM 896 CG2 ILE A 58 9.751 23.261 6.927 1.00 0.00 C ATOM 897 CD1 ILE A 58 9.157 20.620 5.242 1.00 0.00 C ATOM 0 H ILE A 58 6.321 24.062 4.734 1.00 0.00 H new ATOM 0 HA ILE A 58 7.017 23.405 7.548 1.00 0.00 H new ATOM 0 HB ILE A 58 8.698 23.265 5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.238 21.092 7.131 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.175 21.288 5.752 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.586 22.663 6.561 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.001 24.319 6.849 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.554 23.010 7.969 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.884 19.567 5.304 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.096 20.951 4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.176 20.752 5.606 1.00 0.00 H new ATOM 909 N SER A 59 7.639 25.809 7.918 1.00 0.00 N ATOM 910 CA SER A 59 7.987 27.204 8.214 1.00 0.00 C ATOM 911 C SER A 59 9.385 27.302 8.822 1.00 0.00 C ATOM 912 O SER A 59 9.672 26.665 9.844 1.00 0.00 O ATOM 913 CB SER A 59 6.940 27.827 9.140 1.00 0.00 C ATOM 914 OG SER A 59 7.221 29.204 9.346 1.00 0.00 O ATOM 0 H SER A 59 7.418 25.265 8.752 1.00 0.00 H new ATOM 0 HA SER A 59 7.994 27.763 7.278 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.947 27.713 8.706 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.932 27.303 10.096 1.00 0.00 H new ATOM 0 HG SER A 59 6.543 29.591 9.939 1.00 0.00 H new ATOM 920 N LEU A 60 10.263 28.087 8.196 1.00 0.00 N ATOM 921 CA LEU A 60 11.593 28.426 8.715 1.00 0.00 C ATOM 922 C LEU A 60 11.576 29.787 9.423 1.00 0.00 C ATOM 923 O LEU A 60 10.892 30.724 8.998 1.00 0.00 O ATOM 924 CB LEU A 60 12.630 28.404 7.580 1.00 0.00 C ATOM 925 CG LEU A 60 12.667 27.107 6.747 1.00 0.00 C ATOM 926 CD1 LEU A 60 13.793 27.204 5.716 1.00 0.00 C ATOM 927 CD2 LEU A 60 12.889 25.857 7.598 1.00 0.00 C ATOM 0 H LEU A 60 10.066 28.516 7.292 1.00 0.00 H new ATOM 0 HA LEU A 60 11.877 27.675 9.452 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.430 29.241 6.911 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.618 28.569 8.010 1.00 0.00 H new ATOM 0 HG LEU A 60 11.694 27.009 6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.824 26.289 5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.613 28.055 5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.746 27.337 6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.905 24.977 6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.840 25.939 8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.080 25.762 8.323 1.00 0.00 H new ATOM 939 N ILE A 61 12.344 29.895 10.510 1.00 0.00 N ATOM 940 CA ILE A 61 12.407 31.063 11.405 1.00 0.00 C ATOM 941 C ILE A 61 13.857 31.503 11.637 1.00 0.00 C ATOM 942 O ILE A 61 14.795 30.732 11.428 1.00 0.00 O ATOM 943 CB ILE A 61 11.663 30.791 12.736 1.00 0.00 C ATOM 944 CG1 ILE A 61 12.316 29.677 13.589 1.00 0.00 C ATOM 945 CG2 ILE A 61 10.181 30.472 12.466 1.00 0.00 C ATOM 946 CD1 ILE A 61 13.201 30.214 14.715 1.00 0.00 C ATOM 0 H ILE A 61 12.966 29.143 10.806 1.00 0.00 H new ATOM 0 HA ILE A 61 11.894 31.891 10.916 1.00 0.00 H new ATOM 0 HB ILE A 61 11.736 31.706 13.324 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.533 29.053 14.019 1.00 0.00 H new ATOM 0 HG13 ILE A 61 12.914 29.037 12.941 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.671 30.283 13.411 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.712 31.318 11.964 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.109 29.588 11.832 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.627 29.380 15.273 1.00 0.00 H new ATOM 0 HD12 ILE A 61 14.005 30.815 14.291 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.603 30.831 15.385 1.00 0.00 H new ATOM 958 N GLU A 62 14.045 32.748 12.068 1.00 0.00 N ATOM 959 CA GLU A 62 15.357 33.352 12.322 1.00 0.00 C ATOM 960 C GLU A 62 16.024 32.736 13.567 1.00 0.00 C ATOM 961 O GLU A 62 15.522 32.854 14.689 1.00 0.00 O ATOM 962 CB GLU A 62 15.239 34.880 12.478 1.00 0.00 C ATOM 963 CG GLU A 62 14.678 35.604 11.243 1.00 0.00 C ATOM 964 CD GLU A 62 13.139 35.582 11.100 1.00 0.00 C ATOM 965 OE1 GLU A 62 12.631 36.106 10.074 1.00 0.00 O ATOM 966 OE2 GLU A 62 12.413 35.075 11.990 1.00 0.00 O1- ATOM 0 H GLU A 62 13.270 33.384 12.256 1.00 0.00 H new ATOM 0 HA GLU A 62 15.988 33.141 11.459 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.599 35.097 13.333 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.224 35.287 12.706 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.008 36.642 11.271 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.115 35.155 10.351 1.00 0.00 H new ATOM 973 N GLU A 63 17.168 32.080 13.371 1.00 0.00 N ATOM 974 CA GLU A 63 17.934 31.426 14.431 1.00 0.00 C ATOM 975 C GLU A 63 18.444 32.453 15.463 1.00 0.00 C ATOM 976 O GLU A 63 19.034 33.476 15.107 1.00 0.00 O ATOM 977 CB GLU A 63 19.082 30.629 13.798 1.00 0.00 C ATOM 978 CG GLU A 63 19.781 29.712 14.810 1.00 0.00 C ATOM 979 CD GLU A 63 21.096 29.123 14.261 1.00 0.00 C ATOM 980 OE1 GLU A 63 21.882 29.856 13.621 1.00 0.00 O ATOM 981 OE2 GLU A 63 21.400 27.939 14.559 1.00 0.00 O1- ATOM 0 H GLU A 63 17.597 31.987 12.450 1.00 0.00 H new ATOM 0 HA GLU A 63 17.289 30.736 14.975 1.00 0.00 H new ATOM 0 HB2 GLU A 63 18.694 30.029 12.975 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.810 31.320 13.373 1.00 0.00 H new ATOM 0 HG2 GLU A 63 19.990 30.273 15.721 1.00 0.00 H new ATOM 0 HG3 GLU A 63 19.109 28.899 15.084 1.00 0.00 H new ATOM 988 N GLN A 64 18.238 32.179 16.756 1.00 0.00 N ATOM 989 CA GLN A 64 18.549 33.104 17.853 1.00 0.00 C ATOM 990 C GLN A 64 20.020 33.040 18.319 1.00 0.00 C ATOM 991 O GLN A 64 20.438 33.769 19.222 1.00 0.00 O ATOM 992 CB GLN A 64 17.553 32.886 19.008 1.00 0.00 C ATOM 993 CG GLN A 64 16.082 33.100 18.598 1.00 0.00 C ATOM 994 CD GLN A 64 15.797 34.526 18.131 1.00 0.00 C ATOM 995 OE1 GLN A 64 15.886 35.486 18.890 1.00 0.00 O ATOM 996 NE2 GLN A 64 15.441 34.734 16.880 1.00 0.00 N ATOM 0 H GLN A 64 17.844 31.294 17.075 1.00 0.00 H new ATOM 0 HA GLN A 64 18.431 34.119 17.473 1.00 0.00 H new ATOM 0 HB2 GLN A 64 17.671 31.873 19.393 1.00 0.00 H new ATOM 0 HB3 GLN A 64 17.798 33.568 19.823 1.00 0.00 H new ATOM 0 HG2 GLN A 64 15.828 32.404 17.799 1.00 0.00 H new ATOM 0 HG3 GLN A 64 15.436 32.864 19.444 1.00 0.00 H new ATOM 0 HE21 GLN A 64 15.362 33.948 16.235 1.00 0.00 H new ATOM 0 HE22 GLN A 64 15.244 35.681 16.556 1.00 0.00 H new ATOM 1005 N ASN A 65 20.809 32.172 17.679 1.00 0.00 N ATOM 1006 CA ASN A 65 22.237 31.985 17.892 1.00 0.00 C ATOM 1007 C ASN A 65 23.108 33.070 17.207 1.00 0.00 C ATOM 1008 O ASN A 65 24.279 33.238 17.568 1.00 0.00 O ATOM 1009 CB ASN A 65 22.579 30.583 17.346 1.00 0.00 C ATOM 1010 CG ASN A 65 21.871 29.434 18.055 1.00 0.00 C ATOM 1011 OD1 ASN A 65 21.531 29.515 19.224 1.00 0.00 O ATOM 1012 ND2 ASN A 65 21.595 28.339 17.393 1.00 0.00 N ATOM 0 H ASN A 65 20.443 31.549 16.959 1.00 0.00 H new ATOM 0 HA ASN A 65 22.460 32.076 18.955 1.00 0.00 H new ATOM 0 HB2 ASN A 65 22.326 30.549 16.286 1.00 0.00 H new ATOM 0 HB3 ASN A 65 23.656 30.431 17.422 1.00 0.00 H new ATOM 0 HD21 ASN A 65 21.104 27.574 17.855 1.00 0.00 H new ATOM 0 HD22 ASN A 65 21.871 28.251 16.415 1.00 0.00 H new ATOM 1019 N ARG A 66 22.559 33.772 16.203 1.00 0.00 N ATOM 1020 CA ARG A 66 23.253 34.746 15.335 1.00 0.00 C ATOM 1021 C ARG A 66 23.579 36.070 16.048 1.00 0.00 C ATOM 1022 O ARG A 66 24.726 36.555 15.904 1.00 0.00 O ATOM 1023 CB ARG A 66 22.417 34.992 14.062 1.00 0.00 C ATOM 1024 CG ARG A 66 22.043 33.729 13.258 1.00 0.00 C ATOM 1025 CD ARG A 66 23.230 32.865 12.810 1.00 0.00 C ATOM 1026 NE ARG A 66 24.127 33.564 11.868 1.00 0.00 N ATOM 1027 CZ ARG A 66 25.245 33.082 11.358 1.00 0.00 C ATOM 1028 NH1 ARG A 66 25.705 31.905 11.678 1.00 0.00 N1+ ATOM 1029 NH2 ARG A 66 25.939 33.787 10.508 1.00 0.00 N ATOM 1030 OXT ARG A 66 22.688 36.628 16.732 1.00 0.00 O1- ATOM 0 H ARG A 66 21.573 33.674 15.960 1.00 0.00 H new ATOM 0 HA ARG A 66 24.215 34.312 15.064 1.00 0.00 H new ATOM 0 HB2 ARG A 66 21.499 35.506 14.345 1.00 0.00 H new ATOM 0 HB3 ARG A 66 22.971 35.666 13.409 1.00 0.00 H new ATOM 0 HG2 ARG A 66 21.376 33.116 13.864 1.00 0.00 H new ATOM 0 HG3 ARG A 66 21.481 34.033 12.375 1.00 0.00 H new ATOM 0 HD2 ARG A 66 23.800 32.558 13.687 1.00 0.00 H new ATOM 0 HD3 ARG A 66 22.854 31.956 12.340 1.00 0.00 H new ATOM 0 HE ARG A 66 23.858 34.506 11.585 1.00 0.00 H new ATOM 0 HH11 ARG A 66 25.197 31.323 12.344 1.00 0.00 H new ATOM 0 HH12 ARG A 66 26.573 31.566 11.263 1.00 0.00 H new ATOM 0 HH21 ARG A 66 25.619 34.716 10.234 1.00 0.00 H new ATOM 0 HH22 ARG A 66 26.802 33.410 10.117 1.00 0.00 H new TER 1044 ARG A 66 ATOM 1045 N GLY B -3 -2.894 4.417 3.343 1.00 0.00 N ATOM 1046 CA GLY B -3 -1.672 5.244 3.253 1.00 0.00 C ATOM 1047 C GLY B -3 -1.975 6.699 2.898 1.00 0.00 C ATOM 1048 O GLY B -3 -3.081 7.179 3.171 1.00 0.00 O ATOM 0 H1 GLY B -3 -2.812 3.762 4.147 1.00 0.00 H new ATOM 0 H2 GLY B -3 -3.721 5.033 3.482 1.00 0.00 H new ATOM 0 H3 GLY B -3 -3.011 3.873 2.464 1.00 0.00 H new ATOM 0 HA2 GLY B -3 -1.142 5.208 4.205 1.00 0.00 H new ATOM 0 HA3 GLY B -3 -1.006 4.821 2.501 1.00 0.00 H new ATOM 1054 N PRO B -2 -1.014 7.424 2.286 1.00 0.00 N ATOM 1055 CA PRO B -2 -1.169 8.823 1.869 1.00 0.00 C ATOM 1056 C PRO B -2 -2.319 9.072 0.876 1.00 0.00 C ATOM 1057 O PRO B -2 -2.732 8.179 0.128 1.00 0.00 O ATOM 1058 CB PRO B -2 0.175 9.216 1.247 1.00 0.00 C ATOM 1059 CG PRO B -2 1.175 8.303 1.945 1.00 0.00 C ATOM 1060 CD PRO B -2 0.371 7.010 2.095 1.00 0.00 C ATOM 0 HA PRO B -2 -1.436 9.428 2.736 1.00 0.00 H new ATOM 0 HB2 PRO B -2 0.177 9.062 0.168 1.00 0.00 H new ATOM 0 HB3 PRO B -2 0.404 10.268 1.420 1.00 0.00 H new ATOM 0 HG2 PRO B -2 2.077 8.156 1.351 1.00 0.00 H new ATOM 0 HG3 PRO B -2 1.489 8.703 2.909 1.00 0.00 H new ATOM 0 HD2 PRO B -2 0.473 6.381 1.210 1.00 0.00 H new ATOM 0 HD3 PRO B -2 0.725 6.425 2.944 1.00 0.00 H new ATOM 1068 N GLY B -1 -2.801 10.315 0.837 1.00 0.00 N ATOM 1069 CA GLY B -1 -3.866 10.788 -0.054 1.00 0.00 C ATOM 1070 C GLY B -1 -4.007 12.313 0.020 1.00 0.00 C ATOM 1071 O GLY B -1 -3.020 13.035 -0.127 1.00 0.00 O ATOM 0 H GLY B -1 -2.447 11.050 1.449 1.00 0.00 H new ATOM 0 HA2 GLY B -1 -3.647 10.489 -1.079 1.00 0.00 H new ATOM 0 HA3 GLY B -1 -4.810 10.318 0.221 1.00 0.00 H new ATOM 1075 N SER B 0 -5.219 12.806 0.303 1.00 0.00 N ATOM 1076 CA SER B 0 -5.465 14.226 0.616 1.00 0.00 C ATOM 1077 C SER B 0 -4.774 14.664 1.918 1.00 0.00 C ATOM 1078 O SER B 0 -4.356 15.815 2.045 1.00 0.00 O ATOM 1079 CB SER B 0 -6.973 14.489 0.734 1.00 0.00 C ATOM 1080 OG SER B 0 -7.650 14.112 -0.458 1.00 0.00 O ATOM 0 H SER B 0 -6.062 12.232 0.322 1.00 0.00 H new ATOM 0 HA SER B 0 -5.044 14.809 -0.203 1.00 0.00 H new ATOM 0 HB2 SER B 0 -7.378 13.932 1.579 1.00 0.00 H new ATOM 0 HB3 SER B 0 -7.147 15.546 0.937 1.00 0.00 H new ATOM 0 HG SER B 0 -8.609 14.287 -0.359 1.00 0.00 H new ATOM 1086 N MET B 1 -4.607 13.739 2.872 1.00 0.00 N ATOM 1087 CA MET B 1 -3.728 13.870 4.042 1.00 0.00 C ATOM 1088 C MET B 1 -2.349 13.227 3.812 1.00 0.00 C ATOM 1089 O MET B 1 -2.204 12.255 3.066 1.00 0.00 O ATOM 1090 CB MET B 1 -4.380 13.229 5.278 1.00 0.00 C ATOM 1091 CG MET B 1 -5.568 14.035 5.812 1.00 0.00 C ATOM 1092 SD MET B 1 -6.409 13.315 7.259 1.00 0.00 S ATOM 1093 CE MET B 1 -5.080 13.336 8.501 1.00 0.00 C ATOM 0 H MET B 1 -5.099 12.846 2.850 1.00 0.00 H new ATOM 0 HA MET B 1 -3.582 14.938 4.206 1.00 0.00 H new ATOM 0 HB2 MET B 1 -4.715 12.223 5.025 1.00 0.00 H new ATOM 0 HB3 MET B 1 -3.633 13.128 6.065 1.00 0.00 H new ATOM 0 HG2 MET B 1 -5.220 15.034 6.075 1.00 0.00 H new ATOM 0 HG3 MET B 1 -6.297 14.152 5.010 1.00 0.00 H new ATOM 0 HE1 MET B 1 -5.493 13.093 9.480 1.00 0.00 H new ATOM 0 HE2 MET B 1 -4.321 12.600 8.234 1.00 0.00 H new ATOM 0 HE3 MET B 1 -4.628 14.328 8.534 1.00 0.00 H new ATOM 1103 N CYS B 2 -1.358 13.721 4.551 1.00 0.00 N ATOM 1104 CA CYS B 2 -0.061 13.088 4.797 1.00 0.00 C ATOM 1105 C CYS B 2 0.247 13.098 6.301 1.00 0.00 C ATOM 1106 O CYS B 2 -0.285 13.915 7.059 1.00 0.00 O ATOM 1107 CB CYS B 2 1.026 13.806 3.979 1.00 0.00 C ATOM 1108 SG CYS B 2 1.197 13.200 2.282 1.00 0.00 S ATOM 0 H CYS B 2 -1.441 14.623 5.020 1.00 0.00 H new ATOM 0 HA CYS B 2 -0.086 12.047 4.475 1.00 0.00 H new ATOM 0 HB2 CYS B 2 0.800 14.872 3.951 1.00 0.00 H new ATOM 0 HB3 CYS B 2 1.982 13.696 4.491 1.00 0.00 H new ATOM 1113 N MET B 3 1.117 12.184 6.732 1.00 0.00 N ATOM 1114 CA MET B 3 1.568 12.006 8.121 1.00 0.00 C ATOM 1115 C MET B 3 3.080 11.744 8.173 1.00 0.00 C ATOM 1116 O MET B 3 3.693 11.331 7.183 1.00 0.00 O ATOM 1117 CB MET B 3 0.823 10.829 8.778 1.00 0.00 C ATOM 1118 CG MET B 3 -0.658 11.107 9.078 1.00 0.00 C ATOM 1119 SD MET B 3 -1.845 9.925 8.375 1.00 0.00 S ATOM 1120 CE MET B 3 -1.364 8.414 9.257 1.00 0.00 C ATOM 0 H MET B 3 1.549 11.514 6.096 1.00 0.00 H new ATOM 0 HA MET B 3 1.349 12.924 8.666 1.00 0.00 H new ATOM 0 HB2 MET B 3 0.892 9.960 8.124 1.00 0.00 H new ATOM 0 HB3 MET B 3 1.328 10.569 9.708 1.00 0.00 H new ATOM 0 HG2 MET B 3 -0.792 11.127 10.160 1.00 0.00 H new ATOM 0 HG3 MET B 3 -0.903 12.102 8.708 1.00 0.00 H new ATOM 0 HE1 MET B 3 -2.000 7.588 8.938 1.00 0.00 H new ATOM 0 HE2 MET B 3 -0.324 8.178 9.034 1.00 0.00 H new ATOM 0 HE3 MET B 3 -1.479 8.567 10.330 1.00 0.00 H new ATOM 1130 N ALA B 4 3.671 11.939 9.351 1.00 0.00 N ATOM 1131 CA ALA B 4 5.061 11.601 9.647 1.00 0.00 C ATOM 1132 C ALA B 4 5.196 10.850 10.979 1.00 0.00 C ATOM 1133 O ALA B 4 4.220 10.664 11.716 1.00 0.00 O ATOM 1134 CB ALA B 4 5.905 12.890 9.620 1.00 0.00 C ATOM 0 H ALA B 4 3.182 12.348 10.147 1.00 0.00 H new ATOM 0 HA ALA B 4 5.434 10.918 8.883 1.00 0.00 H new ATOM 0 HB1 ALA B 4 6.945 12.649 9.840 1.00 0.00 H new ATOM 0 HB2 ALA B 4 5.840 13.347 8.633 1.00 0.00 H new ATOM 0 HB3 ALA B 4 5.528 13.587 10.368 1.00 0.00 H new ATOM 1140 N LYS B 5 6.424 10.444 11.309 1.00 0.00 N ATOM 1141 CA LYS B 5 6.827 9.993 12.646 1.00 0.00 C ATOM 1142 C LYS B 5 8.023 10.793 13.171 1.00 0.00 C ATOM 1143 O LYS B 5 8.939 11.132 12.414 1.00 0.00 O ATOM 1144 CB LYS B 5 7.037 8.469 12.679 1.00 0.00 C ATOM 1145 CG LYS B 5 8.244 7.970 11.865 1.00 0.00 C ATOM 1146 CD LYS B 5 8.344 6.448 11.995 1.00 0.00 C ATOM 1147 CE LYS B 5 9.657 5.922 11.414 1.00 0.00 C ATOM 1148 NZ LYS B 5 9.828 4.490 11.746 1.00 0.00 N1+ ATOM 0 H LYS B 5 7.189 10.419 10.635 1.00 0.00 H new ATOM 0 HA LYS B 5 6.012 10.197 13.340 1.00 0.00 H new ATOM 0 HB2 LYS B 5 7.160 8.155 13.716 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.136 7.983 12.303 1.00 0.00 H new ATOM 0 HG2 LYS B 5 8.133 8.251 10.818 1.00 0.00 H new ATOM 0 HG3 LYS B 5 9.160 8.439 12.225 1.00 0.00 H new ATOM 0 HD2 LYS B 5 8.270 6.166 13.045 1.00 0.00 H new ATOM 0 HD3 LYS B 5 7.504 5.982 11.480 1.00 0.00 H new ATOM 0 HE2 LYS B 5 9.663 6.055 10.332 1.00 0.00 H new ATOM 0 HE3 LYS B 5 10.494 6.497 11.810 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 10.761 4.167 11.419 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 9.758 4.362 12.776 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 9.085 3.934 11.277 1.00 0.00 H new ATOM 1162 N VAL B 6 7.998 11.112 14.459 1.00 0.00 N ATOM 1163 CA VAL B 6 9.068 11.815 15.181 1.00 0.00 C ATOM 1164 C VAL B 6 10.002 10.814 15.857 1.00 0.00 C ATOM 1165 O VAL B 6 9.538 9.812 16.399 1.00 0.00 O ATOM 1166 CB VAL B 6 8.475 12.820 16.185 1.00 0.00 C ATOM 1167 CG1 VAL B 6 9.512 13.394 17.155 1.00 0.00 C ATOM 1168 CG2 VAL B 6 7.862 14.000 15.431 1.00 0.00 C ATOM 0 H VAL B 6 7.205 10.883 15.058 1.00 0.00 H new ATOM 0 HA VAL B 6 9.662 12.385 14.466 1.00 0.00 H new ATOM 0 HB VAL B 6 7.733 12.266 16.760 1.00 0.00 H new ATOM 0 HG11 VAL B 6 9.026 14.095 17.834 1.00 0.00 H new ATOM 0 HG12 VAL B 6 9.961 12.584 17.730 1.00 0.00 H new ATOM 0 HG13 VAL B 6 10.288 13.913 16.593 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.443 14.710 16.144 1.00 0.00 H new ATOM 0 HG22 VAL B 6 8.633 14.493 14.839 1.00 0.00 H new ATOM 0 HG23 VAL B 6 7.072 13.640 14.771 1.00 0.00 H new ATOM 1178 N VAL B 7 11.311 11.101 15.874 1.00 0.00 N ATOM 1179 CA VAL B 7 12.328 10.330 16.609 1.00 0.00 C ATOM 1180 C VAL B 7 13.330 11.237 17.339 1.00 0.00 C ATOM 1181 O VAL B 7 13.735 12.285 16.826 1.00 0.00 O ATOM 1182 CB VAL B 7 13.006 9.297 15.685 1.00 0.00 C ATOM 1183 CG1 VAL B 7 13.797 9.929 14.531 1.00 0.00 C ATOM 1184 CG2 VAL B 7 13.937 8.351 16.451 1.00 0.00 C ATOM 0 H VAL B 7 11.703 11.894 15.366 1.00 0.00 H new ATOM 0 HA VAL B 7 11.822 9.769 17.395 1.00 0.00 H new ATOM 0 HB VAL B 7 12.175 8.733 15.263 1.00 0.00 H new ATOM 0 HG11 VAL B 7 14.246 9.143 13.924 1.00 0.00 H new ATOM 0 HG12 VAL B 7 13.126 10.526 13.914 1.00 0.00 H new ATOM 0 HG13 VAL B 7 14.582 10.568 14.935 1.00 0.00 H new ATOM 0 HG21 VAL B 7 14.389 7.644 15.756 1.00 0.00 H new ATOM 0 HG22 VAL B 7 14.720 8.929 16.941 1.00 0.00 H new ATOM 0 HG23 VAL B 7 13.365 7.806 17.202 1.00 0.00 H new ATOM 1194 N LEU B 8 13.730 10.813 18.541 1.00 0.00 N ATOM 1195 CA LEU B 8 14.713 11.469 19.414 1.00 0.00 C ATOM 1196 C LEU B 8 15.445 10.442 20.298 1.00 0.00 C ATOM 1197 O LEU B 8 14.940 9.342 20.536 1.00 0.00 O ATOM 1198 CB LEU B 8 14.004 12.547 20.270 1.00 0.00 C ATOM 1199 CG LEU B 8 13.039 12.008 21.347 1.00 0.00 C ATOM 1200 CD1 LEU B 8 13.693 11.934 22.731 1.00 0.00 C ATOM 1201 CD2 LEU B 8 11.805 12.903 21.467 1.00 0.00 C ATOM 0 H LEU B 8 13.358 9.958 18.955 1.00 0.00 H new ATOM 0 HA LEU B 8 15.469 11.953 18.796 1.00 0.00 H new ATOM 0 HB2 LEU B 8 14.764 13.156 20.759 1.00 0.00 H new ATOM 0 HB3 LEU B 8 13.447 13.207 19.605 1.00 0.00 H new ATOM 0 HG LEU B 8 12.761 11.004 21.026 1.00 0.00 H new ATOM 0 HD11 LEU B 8 12.973 11.549 23.453 1.00 0.00 H new ATOM 0 HD12 LEU B 8 14.557 11.270 22.690 1.00 0.00 H new ATOM 0 HD13 LEU B 8 14.015 12.930 23.035 1.00 0.00 H new ATOM 0 HD21 LEU B 8 11.139 12.504 22.232 1.00 0.00 H new ATOM 0 HD22 LEU B 8 12.112 13.911 21.744 1.00 0.00 H new ATOM 0 HD23 LEU B 8 11.283 12.933 20.511 1.00 0.00 H new ATOM 1213 N THR B 9 16.603 10.829 20.836 1.00 0.00 N ATOM 1214 CA THR B 9 17.342 10.076 21.868 1.00 0.00 C ATOM 1215 C THR B 9 17.848 11.018 22.963 1.00 0.00 C ATOM 1216 O THR B 9 18.455 12.049 22.669 1.00 0.00 O ATOM 1217 CB THR B 9 18.497 9.255 21.267 1.00 0.00 C ATOM 1218 OG1 THR B 9 18.029 8.382 20.262 1.00 0.00 O ATOM 1219 CG2 THR B 9 19.194 8.362 22.295 1.00 0.00 C ATOM 0 H THR B 9 17.070 11.694 20.564 1.00 0.00 H new ATOM 0 HA THR B 9 16.647 9.366 22.316 1.00 0.00 H new ATOM 0 HB THR B 9 19.193 9.998 20.878 1.00 0.00 H new ATOM 0 HG1 THR B 9 18.781 7.873 19.895 1.00 0.00 H new ATOM 0 HG21 THR B 9 19.999 7.809 21.810 1.00 0.00 H new ATOM 0 HG22 THR B 9 19.607 8.979 23.093 1.00 0.00 H new ATOM 0 HG23 THR B 9 18.474 7.660 22.716 1.00 0.00 H new ATOM 1227 N LYS B 10 17.581 10.673 24.228 1.00 0.00 N ATOM 1228 CA LYS B 10 17.974 11.441 25.428 1.00 0.00 C ATOM 1229 C LYS B 10 19.487 11.421 25.667 1.00 0.00 C ATOM 1230 O LYS B 10 20.191 10.528 25.199 1.00 0.00 O ATOM 1231 CB LYS B 10 17.253 10.868 26.664 1.00 0.00 C ATOM 1232 CG LYS B 10 15.721 10.944 26.574 1.00 0.00 C ATOM 1233 CD LYS B 10 15.070 10.248 27.780 1.00 0.00 C ATOM 1234 CE LYS B 10 13.566 10.103 27.542 1.00 0.00 C ATOM 1235 NZ LYS B 10 12.885 9.516 28.726 1.00 0.00 N1+ ATOM 0 H LYS B 10 17.068 9.822 24.459 1.00 0.00 H new ATOM 0 HA LYS B 10 17.683 12.478 25.261 1.00 0.00 H new ATOM 0 HB2 LYS B 10 17.549 9.828 26.797 1.00 0.00 H new ATOM 0 HB3 LYS B 10 17.584 11.409 27.550 1.00 0.00 H new ATOM 0 HG2 LYS B 10 15.405 11.987 26.536 1.00 0.00 H new ATOM 0 HG3 LYS B 10 15.382 10.474 25.650 1.00 0.00 H new ATOM 0 HD2 LYS B 10 15.520 9.267 27.932 1.00 0.00 H new ATOM 0 HD3 LYS B 10 15.250 10.826 28.686 1.00 0.00 H new ATOM 0 HE2 LYS B 10 13.135 11.079 27.319 1.00 0.00 H new ATOM 0 HE3 LYS B 10 13.393 9.472 26.670 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 11.867 9.430 28.534 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 13.281 8.574 28.923 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 13.031 10.132 29.551 1.00 0.00 H new ATOM 1249 N ALA B 11 19.973 12.337 26.505 1.00 0.00 N ATOM 1250 CA ALA B 11 21.359 12.333 27.000 1.00 0.00 C ATOM 1251 C ALA B 11 21.709 11.066 27.815 1.00 0.00 C ATOM 1252 O ALA B 11 22.864 10.637 27.854 1.00 0.00 O ATOM 1253 CB ALA B 11 21.569 13.598 27.841 1.00 0.00 C ATOM 0 H ALA B 11 19.415 13.111 26.865 1.00 0.00 H new ATOM 0 HA ALA B 11 22.031 12.323 26.142 1.00 0.00 H new ATOM 0 HB1 ALA B 11 22.591 13.618 28.220 1.00 0.00 H new ATOM 0 HB2 ALA B 11 21.394 14.479 27.223 1.00 0.00 H new ATOM 0 HB3 ALA B 11 20.872 13.598 28.679 1.00 0.00 H new ATOM 1259 N ASP B 12 20.705 10.434 28.430 1.00 0.00 N ATOM 1260 CA ASP B 12 20.790 9.147 29.131 1.00 0.00 C ATOM 1261 C ASP B 12 20.834 7.926 28.186 1.00 0.00 C ATOM 1262 O ASP B 12 20.979 6.789 28.641 1.00 0.00 O ATOM 1263 CB ASP B 12 19.590 9.053 30.090 1.00 0.00 C ATOM 1264 CG ASP B 12 19.576 10.100 31.220 1.00 0.00 C ATOM 1265 OD1 ASP B 12 18.483 10.344 31.788 1.00 0.00 O ATOM 1266 OD2 ASP B 12 20.638 10.671 31.573 1.00 0.00 O1- ATOM 0 H ASP B 12 19.763 10.825 28.454 1.00 0.00 H new ATOM 0 HA ASP B 12 21.734 9.118 29.675 1.00 0.00 H new ATOM 0 HB2 ASP B 12 18.672 9.154 29.511 1.00 0.00 H new ATOM 0 HB3 ASP B 12 19.578 8.059 30.536 1.00 0.00 H new ATOM 1271 N GLY B 13 20.705 8.137 26.869 1.00 0.00 N ATOM 1272 CA GLY B 13 20.670 7.088 25.839 1.00 0.00 C ATOM 1273 C GLY B 13 19.279 6.495 25.583 1.00 0.00 C ATOM 1274 O GLY B 13 19.158 5.530 24.824 1.00 0.00 O ATOM 0 H GLY B 13 20.619 9.075 26.477 1.00 0.00 H new ATOM 0 HA2 GLY B 13 21.053 7.500 24.905 1.00 0.00 H new ATOM 0 HA3 GLY B 13 21.345 6.285 26.133 1.00 0.00 H new ATOM 1278 N GLY B 14 18.224 7.040 26.194 1.00 0.00 N ATOM 1279 CA GLY B 14 16.841 6.583 26.017 1.00 0.00 C ATOM 1280 C GLY B 14 16.241 7.063 24.694 1.00 0.00 C ATOM 1281 O GLY B 14 15.987 8.259 24.536 1.00 0.00 O ATOM 0 H GLY B 14 18.308 7.826 26.838 1.00 0.00 H new ATOM 0 HA2 GLY B 14 16.812 5.494 26.054 1.00 0.00 H new ATOM 0 HA3 GLY B 14 16.231 6.946 26.844 1.00 0.00 H new ATOM 1285 N ARG B 15 16.020 6.162 23.733 1.00 0.00 N ATOM 1286 CA ARG B 15 15.358 6.459 22.452 1.00 0.00 C ATOM 1287 C ARG B 15 13.830 6.507 22.600 1.00 0.00 C ATOM 1288 O ARG B 15 13.244 5.672 23.293 1.00 0.00 O ATOM 1289 CB ARG B 15 15.812 5.426 21.406 1.00 0.00 C ATOM 1290 CG ARG B 15 15.335 5.738 19.978 1.00 0.00 C ATOM 1291 CD ARG B 15 15.880 4.678 19.007 1.00 0.00 C ATOM 1292 NE ARG B 15 15.381 4.877 17.631 1.00 0.00 N ATOM 1293 CZ ARG B 15 14.183 4.565 17.174 1.00 0.00 C ATOM 1294 NH1 ARG B 15 13.243 4.053 17.911 1.00 0.00 N1+ ATOM 1295 NH2 ARG B 15 13.860 4.761 15.935 1.00 0.00 N ATOM 0 H ARG B 15 16.300 5.185 23.822 1.00 0.00 H new ATOM 0 HA ARG B 15 15.653 7.452 22.114 1.00 0.00 H new ATOM 0 HB2 ARG B 15 16.901 5.371 21.412 1.00 0.00 H new ATOM 0 HB3 ARG B 15 15.442 4.443 21.696 1.00 0.00 H new ATOM 0 HG2 ARG B 15 14.246 5.752 19.943 1.00 0.00 H new ATOM 0 HG3 ARG B 15 15.676 6.729 19.679 1.00 0.00 H new ATOM 0 HD2 ARG B 15 16.969 4.714 19.006 1.00 0.00 H new ATOM 0 HD3 ARG B 15 15.594 3.686 19.356 1.00 0.00 H new ATOM 0 HE ARG B 15 16.029 5.299 16.966 1.00 0.00 H new ATOM 0 HH11 ARG B 15 13.412 3.872 18.900 1.00 0.00 H new ATOM 0 HH12 ARG B 15 12.336 3.833 17.500 1.00 0.00 H new ATOM 0 HH21 ARG B 15 14.538 5.165 15.289 1.00 0.00 H new ATOM 0 HH22 ARG B 15 12.927 4.512 15.605 1.00 0.00 H new ATOM 1309 N VAL B 16 13.182 7.457 21.919 1.00 0.00 N ATOM 1310 CA VAL B 16 11.720 7.645 21.868 1.00 0.00 C ATOM 1311 C VAL B 16 11.276 7.892 20.422 1.00 0.00 C ATOM 1312 O VAL B 16 11.936 8.617 19.674 1.00 0.00 O ATOM 1313 CB VAL B 16 11.250 8.775 22.811 1.00 0.00 C ATOM 1314 CG1 VAL B 16 9.730 8.979 22.772 1.00 0.00 C ATOM 1315 CG2 VAL B 16 11.659 8.527 24.275 1.00 0.00 C ATOM 0 H VAL B 16 13.681 8.150 21.361 1.00 0.00 H new ATOM 0 HA VAL B 16 11.245 6.731 22.225 1.00 0.00 H new ATOM 0 HB VAL B 16 11.747 9.671 22.440 1.00 0.00 H new ATOM 0 HG11 VAL B 16 9.453 9.784 23.453 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.424 9.239 21.759 1.00 0.00 H new ATOM 0 HG13 VAL B 16 9.231 8.059 23.077 1.00 0.00 H new ATOM 0 HG21 VAL B 16 11.305 9.350 24.896 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.217 7.593 24.623 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.745 8.462 24.343 1.00 0.00 H new ATOM 1325 N GLU B 17 10.161 7.281 20.008 1.00 0.00 N ATOM 1326 CA GLU B 17 9.603 7.340 18.652 1.00 0.00 C ATOM 1327 C GLU B 17 8.068 7.449 18.691 1.00 0.00 C ATOM 1328 O GLU B 17 7.403 6.707 19.425 1.00 0.00 O ATOM 1329 CB GLU B 17 10.106 6.110 17.872 1.00 0.00 C ATOM 1330 CG GLU B 17 9.548 5.988 16.447 1.00 0.00 C ATOM 1331 CD GLU B 17 10.141 4.792 15.666 1.00 0.00 C ATOM 1332 OE1 GLU B 17 11.138 4.170 16.110 1.00 0.00 O ATOM 1333 OE2 GLU B 17 9.639 4.484 14.555 1.00 0.00 O1- ATOM 0 H GLU B 17 9.598 6.707 20.636 1.00 0.00 H new ATOM 0 HA GLU B 17 9.942 8.237 18.134 1.00 0.00 H new ATOM 0 HB2 GLU B 17 11.194 6.148 17.820 1.00 0.00 H new ATOM 0 HB3 GLU B 17 9.845 5.210 18.429 1.00 0.00 H new ATOM 0 HG2 GLU B 17 8.464 5.882 16.495 1.00 0.00 H new ATOM 0 HG3 GLU B 17 9.754 6.909 15.902 1.00 0.00 H new ATOM 1340 N ILE B 18 7.492 8.378 17.917 1.00 0.00 N ATOM 1341 CA ILE B 18 6.054 8.730 17.926 1.00 0.00 C ATOM 1342 C ILE B 18 5.513 8.711 16.494 1.00 0.00 C ATOM 1343 O ILE B 18 5.980 9.484 15.654 1.00 0.00 O ATOM 1344 CB ILE B 18 5.815 10.113 18.578 1.00 0.00 C ATOM 1345 CG1 ILE B 18 6.276 10.154 20.050 1.00 0.00 C ATOM 1346 CG2 ILE B 18 4.328 10.519 18.500 1.00 0.00 C ATOM 1347 CD1 ILE B 18 6.533 11.587 20.545 1.00 0.00 C ATOM 0 H ILE B 18 8.026 8.927 17.243 1.00 0.00 H new ATOM 0 HA ILE B 18 5.521 7.990 18.524 1.00 0.00 H new ATOM 0 HB ILE B 18 6.416 10.824 18.011 1.00 0.00 H new ATOM 0 HG12 ILE B 18 5.518 9.686 20.678 1.00 0.00 H new ATOM 0 HG13 ILE B 18 7.187 9.566 20.159 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.192 11.495 18.966 1.00 0.00 H new ATOM 0 HG22 ILE B 18 4.019 10.570 17.456 1.00 0.00 H new ATOM 0 HG23 ILE B 18 3.721 9.780 19.023 1.00 0.00 H new ATOM 0 HD11 ILE B 18 6.855 11.560 21.586 1.00 0.00 H new ATOM 0 HD12 ILE B 18 7.311 12.048 19.936 1.00 0.00 H new ATOM 0 HD13 ILE B 18 5.616 12.170 20.464 1.00 0.00 H new ATOM 1359 N GLY B 19 4.535 7.849 16.210 1.00 0.00 N ATOM 1360 CA GLY B 19 3.889 7.718 14.895 1.00 0.00 C ATOM 1361 C GLY B 19 2.622 8.566 14.720 1.00 0.00 C ATOM 1362 O GLY B 19 2.132 9.181 15.670 1.00 0.00 O ATOM 0 H GLY B 19 4.158 7.204 16.904 1.00 0.00 H new ATOM 0 HA2 GLY B 19 4.606 7.996 14.123 1.00 0.00 H new ATOM 0 HA3 GLY B 19 3.635 6.671 14.732 1.00 0.00 H new ATOM 1366 N ASP B 20 2.076 8.568 13.499 1.00 0.00 N ATOM 1367 CA ASP B 20 0.808 9.220 13.117 1.00 0.00 C ATOM 1368 C ASP B 20 0.738 10.733 13.431 1.00 0.00 C ATOM 1369 O ASP B 20 -0.323 11.284 13.747 1.00 0.00 O ATOM 1370 CB ASP B 20 -0.392 8.409 13.646 1.00 0.00 C ATOM 1371 CG ASP B 20 -0.372 6.916 13.244 1.00 0.00 C ATOM 1372 OD1 ASP B 20 0.165 6.559 12.166 1.00 0.00 O ATOM 1373 OD2 ASP B 20 -0.922 6.087 14.007 1.00 0.00 O1- ATOM 0 H ASP B 20 2.521 8.096 12.712 1.00 0.00 H new ATOM 0 HA ASP B 20 0.760 9.206 12.028 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -0.414 8.481 14.733 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -1.313 8.861 13.278 1.00 0.00 H new ATOM 1378 N VAL B 21 1.882 11.417 13.336 1.00 0.00 N ATOM 1379 CA VAL B 21 2.050 12.858 13.596 1.00 0.00 C ATOM 1380 C VAL B 21 1.491 13.683 12.435 1.00 0.00 C ATOM 1381 O VAL B 21 1.827 13.426 11.273 1.00 0.00 O ATOM 1382 CB VAL B 21 3.533 13.195 13.856 1.00 0.00 C ATOM 1383 CG1 VAL B 21 3.774 14.688 14.114 1.00 0.00 C ATOM 1384 CG2 VAL B 21 4.058 12.415 15.074 1.00 0.00 C ATOM 0 H VAL B 21 2.756 10.967 13.065 1.00 0.00 H new ATOM 0 HA VAL B 21 1.486 13.115 14.493 1.00 0.00 H new ATOM 0 HB VAL B 21 4.064 12.911 12.948 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.836 14.860 14.290 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.452 15.264 13.246 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.206 15.002 14.989 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.105 12.665 15.242 1.00 0.00 H new ATOM 0 HG22 VAL B 21 3.475 12.682 15.956 1.00 0.00 H new ATOM 0 HG23 VAL B 21 3.966 11.345 14.888 1.00 0.00 H new ATOM 1394 N LEU B 22 0.670 14.692 12.745 1.00 0.00 N ATOM 1395 CA LEU B 22 0.167 15.678 11.777 1.00 0.00 C ATOM 1396 C LEU B 22 0.961 16.986 11.789 1.00 0.00 C ATOM 1397 O LEU B 22 1.075 17.633 10.748 1.00 0.00 O ATOM 1398 CB LEU B 22 -1.319 15.982 12.045 1.00 0.00 C ATOM 1399 CG LEU B 22 -2.276 14.789 11.890 1.00 0.00 C ATOM 1400 CD1 LEU B 22 -3.712 15.298 12.046 1.00 0.00 C ATOM 1401 CD2 LEU B 22 -2.155 14.105 10.528 1.00 0.00 C ATOM 0 H LEU B 22 0.329 14.851 13.693 1.00 0.00 H new ATOM 0 HA LEU B 22 0.289 15.230 10.791 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -1.415 16.373 13.058 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -1.639 16.773 11.366 1.00 0.00 H new ATOM 0 HG LEU B 22 -2.014 14.056 12.653 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.407 14.465 11.939 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -3.834 15.748 13.031 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -3.919 16.044 11.279 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -2.854 13.271 10.477 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -2.386 14.821 9.739 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -1.138 13.735 10.396 1.00 0.00 H new ATOM 1413 N GLU B 23 1.526 17.389 12.930 1.00 0.00 N ATOM 1414 CA GLU B 23 2.346 18.604 13.038 1.00 0.00 C ATOM 1415 C GLU B 23 3.379 18.547 14.179 1.00 0.00 C ATOM 1416 O GLU B 23 3.190 17.859 15.186 1.00 0.00 O ATOM 1417 CB GLU B 23 1.457 19.862 13.168 1.00 0.00 C ATOM 1418 CG GLU B 23 0.613 19.919 14.452 1.00 0.00 C ATOM 1419 CD GLU B 23 -0.198 21.222 14.551 1.00 0.00 C ATOM 1420 OE1 GLU B 23 0.375 22.328 14.377 1.00 0.00 O ATOM 1421 OE2 GLU B 23 -1.429 21.165 14.803 1.00 0.00 O1- ATOM 0 H GLU B 23 1.429 16.882 13.810 1.00 0.00 H new ATOM 0 HA GLU B 23 2.916 18.666 12.111 1.00 0.00 H new ATOM 0 HB2 GLU B 23 2.093 20.746 13.127 1.00 0.00 H new ATOM 0 HB3 GLU B 23 0.790 19.910 12.308 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -0.066 19.067 14.478 1.00 0.00 H new ATOM 0 HG3 GLU B 23 1.267 19.832 15.320 1.00 0.00 H new ATOM 1428 N VAL B 24 4.458 19.316 14.010 1.00 0.00 N ATOM 1429 CA VAL B 24 5.530 19.519 14.994 1.00 0.00 C ATOM 1430 C VAL B 24 5.895 21.002 15.038 1.00 0.00 C ATOM 1431 O VAL B 24 6.106 21.621 13.997 1.00 0.00 O ATOM 1432 CB VAL B 24 6.778 18.665 14.677 1.00 0.00 C ATOM 1433 CG1 VAL B 24 7.852 18.800 15.766 1.00 0.00 C ATOM 1434 CG2 VAL B 24 6.441 17.177 14.550 1.00 0.00 C ATOM 0 H VAL B 24 4.617 19.837 13.148 1.00 0.00 H new ATOM 0 HA VAL B 24 5.165 19.197 15.969 1.00 0.00 H new ATOM 0 HB VAL B 24 7.153 19.044 13.726 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.713 18.184 15.506 1.00 0.00 H new ATOM 0 HG12 VAL B 24 8.161 19.842 15.845 1.00 0.00 H new ATOM 0 HG13 VAL B 24 7.445 18.469 16.722 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.349 16.616 14.327 1.00 0.00 H new ATOM 0 HG22 VAL B 24 6.015 16.819 15.487 1.00 0.00 H new ATOM 0 HG23 VAL B 24 5.720 17.035 13.745 1.00 0.00 H new ATOM 1444 N ARG B 25 5.990 21.574 16.239 1.00 0.00 N ATOM 1445 CA ARG B 25 6.404 22.964 16.509 1.00 0.00 C ATOM 1446 C ARG B 25 7.690 22.996 17.326 1.00 0.00 C ATOM 1447 O ARG B 25 7.829 22.208 18.260 1.00 0.00 O ATOM 1448 CB ARG B 25 5.299 23.708 17.278 1.00 0.00 C ATOM 1449 CG ARG B 25 4.093 24.093 16.410 1.00 0.00 C ATOM 1450 CD ARG B 25 2.976 24.737 17.251 1.00 0.00 C ATOM 1451 NE ARG B 25 3.458 25.919 18.002 1.00 0.00 N ATOM 1452 CZ ARG B 25 3.434 27.194 17.657 1.00 0.00 C ATOM 1453 NH1 ARG B 25 2.853 27.615 16.567 1.00 0.00 N1+ ATOM 1454 NH2 ARG B 25 4.012 28.077 18.421 1.00 0.00 N ATOM 0 H ARG B 25 5.772 21.063 17.094 1.00 0.00 H new ATOM 0 HA ARG B 25 6.578 23.455 15.552 1.00 0.00 H new ATOM 0 HB2 ARG B 25 4.957 23.081 18.101 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.721 24.611 17.719 1.00 0.00 H new ATOM 0 HG2 ARG B 25 4.410 24.787 15.632 1.00 0.00 H new ATOM 0 HG3 ARG B 25 3.707 23.206 15.908 1.00 0.00 H new ATOM 0 HD2 ARG B 25 2.155 25.033 16.598 1.00 0.00 H new ATOM 0 HD3 ARG B 25 2.578 24.001 17.950 1.00 0.00 H new ATOM 0 HE ARG B 25 3.866 25.720 18.915 1.00 0.00 H new ATOM 0 HH11 ARG B 25 2.394 26.950 15.944 1.00 0.00 H new ATOM 0 HH12 ARG B 25 2.858 28.609 16.338 1.00 0.00 H new ATOM 0 HH21 ARG B 25 4.479 27.782 19.279 1.00 0.00 H new ATOM 0 HH22 ARG B 25 3.998 29.063 18.161 1.00 0.00 H new ATOM 1468 N ALA B 26 8.578 23.946 17.039 1.00 0.00 N ATOM 1469 CA ALA B 26 9.635 24.381 17.947 1.00 0.00 C ATOM 1470 C ALA B 26 9.224 25.710 18.614 1.00 0.00 C ATOM 1471 O ALA B 26 9.052 26.738 17.953 1.00 0.00 O ATOM 1472 CB ALA B 26 10.963 24.462 17.184 1.00 0.00 C ATOM 0 H ALA B 26 8.582 24.445 16.149 1.00 0.00 H new ATOM 0 HA ALA B 26 9.781 23.660 18.751 1.00 0.00 H new ATOM 0 HB1 ALA B 26 11.753 24.787 17.862 1.00 0.00 H new ATOM 0 HB2 ALA B 26 11.212 23.480 16.781 1.00 0.00 H new ATOM 0 HB3 ALA B 26 10.870 25.177 16.366 1.00 0.00 H new ATOM 1478 N GLU B 27 9.045 25.671 19.931 1.00 0.00 N ATOM 1479 CA GLU B 27 8.745 26.810 20.807 1.00 0.00 C ATOM 1480 C GLU B 27 10.032 27.535 21.260 1.00 0.00 C ATOM 1481 O GLU B 27 11.139 27.188 20.840 1.00 0.00 O ATOM 1482 CB GLU B 27 7.945 26.314 22.032 1.00 0.00 C ATOM 1483 CG GLU B 27 6.691 25.469 21.737 1.00 0.00 C ATOM 1484 CD GLU B 27 5.604 26.158 20.886 1.00 0.00 C ATOM 1485 OE1 GLU B 27 5.662 27.377 20.597 1.00 0.00 O ATOM 1486 OE2 GLU B 27 4.632 25.474 20.495 1.00 0.00 O1- ATOM 0 H GLU B 27 9.108 24.795 20.450 1.00 0.00 H new ATOM 0 HA GLU B 27 8.149 27.530 20.246 1.00 0.00 H new ATOM 0 HB2 GLU B 27 8.613 25.725 22.660 1.00 0.00 H new ATOM 0 HB3 GLU B 27 7.641 27.183 22.616 1.00 0.00 H new ATOM 0 HG2 GLU B 27 7.002 24.557 21.227 1.00 0.00 H new ATOM 0 HG3 GLU B 27 6.247 25.168 22.686 1.00 0.00 H new ATOM 1493 N GLY B 28 9.908 28.534 22.146 1.00 0.00 N ATOM 1494 CA GLY B 28 11.029 29.322 22.687 1.00 0.00 C ATOM 1495 C GLY B 28 12.027 28.555 23.574 1.00 0.00 C ATOM 1496 O GLY B 28 13.086 29.102 23.894 1.00 0.00 O ATOM 0 H GLY B 28 9.003 28.825 22.516 1.00 0.00 H new ATOM 0 HA2 GLY B 28 11.577 29.759 21.852 1.00 0.00 H new ATOM 0 HA3 GLY B 28 10.619 30.149 23.267 1.00 0.00 H new ATOM 1500 N GLY B 29 11.733 27.308 23.961 1.00 0.00 N ATOM 1501 CA GLY B 29 12.610 26.452 24.790 1.00 0.00 C ATOM 1502 C GLY B 29 12.303 24.948 24.746 1.00 0.00 C ATOM 1503 O GLY B 29 12.774 24.200 25.604 1.00 0.00 O ATOM 0 H GLY B 29 10.859 26.849 23.704 1.00 0.00 H new ATOM 0 HA2 GLY B 29 13.641 26.604 24.472 1.00 0.00 H new ATOM 0 HA3 GLY B 29 12.543 26.788 25.825 1.00 0.00 H new ATOM 1507 N ALA B 30 11.497 24.491 23.784 1.00 0.00 N ATOM 1508 CA ALA B 30 11.008 23.116 23.667 1.00 0.00 C ATOM 1509 C ALA B 30 10.555 22.792 22.235 1.00 0.00 C ATOM 1510 O ALA B 30 10.362 23.694 21.419 1.00 0.00 O ATOM 1511 CB ALA B 30 9.831 22.944 24.645 1.00 0.00 C ATOM 0 H ALA B 30 11.154 25.093 23.036 1.00 0.00 H new ATOM 0 HA ALA B 30 11.818 22.428 23.909 1.00 0.00 H new ATOM 0 HB1 ALA B 30 9.448 21.926 24.577 1.00 0.00 H new ATOM 0 HB2 ALA B 30 10.172 23.136 25.662 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.039 23.648 24.389 1.00 0.00 H new ATOM 1517 N VAL B 31 10.284 21.515 21.951 1.00 0.00 N ATOM 1518 CA VAL B 31 9.406 21.110 20.831 1.00 0.00 C ATOM 1519 C VAL B 31 8.104 20.487 21.332 1.00 0.00 C ATOM 1520 O VAL B 31 8.040 19.937 22.434 1.00 0.00 O ATOM 1521 CB VAL B 31 10.091 20.208 19.788 1.00 0.00 C ATOM 1522 CG1 VAL B 31 11.372 20.829 19.222 1.00 0.00 C ATOM 1523 CG2 VAL B 31 10.408 18.815 20.326 1.00 0.00 C ATOM 0 H VAL B 31 10.661 20.731 22.483 1.00 0.00 H new ATOM 0 HA VAL B 31 9.167 22.035 20.307 1.00 0.00 H new ATOM 0 HB VAL B 31 9.362 20.112 18.984 1.00 0.00 H new ATOM 0 HG11 VAL B 31 11.813 20.151 18.492 1.00 0.00 H new ATOM 0 HG12 VAL B 31 11.134 21.777 18.739 1.00 0.00 H new ATOM 0 HG13 VAL B 31 12.081 21.002 20.032 1.00 0.00 H new ATOM 0 HG21 VAL B 31 10.890 18.225 19.546 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.077 18.899 21.183 1.00 0.00 H new ATOM 0 HG23 VAL B 31 9.484 18.325 20.634 1.00 0.00 H new ATOM 1533 N ARG B 32 7.069 20.558 20.489 1.00 0.00 N ATOM 1534 CA ARG B 32 5.737 19.960 20.684 1.00 0.00 C ATOM 1535 C ARG B 32 5.330 19.159 19.446 1.00 0.00 C ATOM 1536 O ARG B 32 5.532 19.617 18.320 1.00 0.00 O ATOM 1537 CB ARG B 32 4.707 21.053 20.999 1.00 0.00 C ATOM 1538 CG ARG B 32 4.847 21.598 22.428 1.00 0.00 C ATOM 1539 CD ARG B 32 3.998 22.850 22.662 1.00 0.00 C ATOM 1540 NE ARG B 32 2.564 22.618 22.421 1.00 0.00 N ATOM 1541 CZ ARG B 32 1.737 23.314 21.668 1.00 0.00 C ATOM 1542 NH1 ARG B 32 2.096 24.375 20.994 1.00 0.00 N1+ ATOM 1543 NH2 ARG B 32 0.494 22.949 21.575 1.00 0.00 N ATOM 0 H ARG B 32 7.138 21.060 19.604 1.00 0.00 H new ATOM 0 HA ARG B 32 5.775 19.276 21.532 1.00 0.00 H new ATOM 0 HB2 ARG B 32 4.822 21.872 20.288 1.00 0.00 H new ATOM 0 HB3 ARG B 32 3.703 20.651 20.863 1.00 0.00 H new ATOM 0 HG2 ARG B 32 4.553 20.825 23.139 1.00 0.00 H new ATOM 0 HG3 ARG B 32 5.894 21.830 22.624 1.00 0.00 H new ATOM 0 HD2 ARG B 32 4.139 23.193 23.687 1.00 0.00 H new ATOM 0 HD3 ARG B 32 4.348 23.648 22.008 1.00 0.00 H new ATOM 0 HE ARG B 32 2.158 21.814 22.899 1.00 0.00 H new ATOM 0 HH11 ARG B 32 3.061 24.703 21.035 1.00 0.00 H new ATOM 0 HH12 ARG B 32 1.411 24.875 20.427 1.00 0.00 H new ATOM 0 HH21 ARG B 32 0.164 22.128 22.083 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -0.152 23.483 20.994 1.00 0.00 H new ATOM 1557 N VAL B 33 4.758 17.976 19.658 1.00 0.00 N ATOM 1558 CA VAL B 33 4.402 16.969 18.637 1.00 0.00 C ATOM 1559 C VAL B 33 2.920 16.610 18.769 1.00 0.00 C ATOM 1560 O VAL B 33 2.496 16.247 19.864 1.00 0.00 O ATOM 1561 CB VAL B 33 5.264 15.706 18.836 1.00 0.00 C ATOM 1562 CG1 VAL B 33 4.915 14.604 17.826 1.00 0.00 C ATOM 1563 CG2 VAL B 33 6.768 15.998 18.730 1.00 0.00 C ATOM 0 H VAL B 33 4.512 17.668 20.599 1.00 0.00 H new ATOM 0 HA VAL B 33 4.587 17.377 17.643 1.00 0.00 H new ATOM 0 HB VAL B 33 5.037 15.363 19.845 1.00 0.00 H new ATOM 0 HG11 VAL B 33 5.547 13.734 18.004 1.00 0.00 H new ATOM 0 HG12 VAL B 33 3.868 14.322 17.942 1.00 0.00 H new ATOM 0 HG13 VAL B 33 5.081 14.972 16.814 1.00 0.00 H new ATOM 0 HG21 VAL B 33 7.329 15.075 18.878 1.00 0.00 H new ATOM 0 HG22 VAL B 33 6.991 16.404 17.743 1.00 0.00 H new ATOM 0 HG23 VAL B 33 7.053 16.722 19.493 1.00 0.00 H new ATOM 1573 N THR B 34 2.134 16.677 17.686 1.00 0.00 N ATOM 1574 CA THR B 34 0.672 16.423 17.724 1.00 0.00 C ATOM 1575 C THR B 34 0.246 15.355 16.717 1.00 0.00 C ATOM 1576 O THR B 34 0.569 15.442 15.529 1.00 0.00 O ATOM 1577 CB THR B 34 -0.129 17.719 17.503 1.00 0.00 C ATOM 1578 OG1 THR B 34 0.224 18.687 18.476 1.00 0.00 O ATOM 1579 CG2 THR B 34 -1.639 17.516 17.608 1.00 0.00 C ATOM 0 H THR B 34 2.485 16.908 16.756 1.00 0.00 H new ATOM 0 HA THR B 34 0.448 16.045 18.721 1.00 0.00 H new ATOM 0 HB THR B 34 0.117 18.047 16.493 1.00 0.00 H new ATOM 0 HG1 THR B 34 -0.291 19.507 18.324 1.00 0.00 H new ATOM 0 HG21 THR B 34 -2.146 18.466 17.442 1.00 0.00 H new ATOM 0 HG22 THR B 34 -1.963 16.796 16.856 1.00 0.00 H new ATOM 0 HG23 THR B 34 -1.887 17.140 18.601 1.00 0.00 H new ATOM 1587 N THR B 35 -0.486 14.345 17.189 1.00 0.00 N ATOM 1588 CA THR B 35 -0.985 13.201 16.400 1.00 0.00 C ATOM 1589 C THR B 35 -2.416 13.411 15.891 1.00 0.00 C ATOM 1590 O THR B 35 -3.154 14.267 16.384 1.00 0.00 O ATOM 1591 CB THR B 35 -0.931 11.885 17.198 1.00 0.00 C ATOM 1592 OG1 THR B 35 -1.871 11.907 18.246 1.00 0.00 O ATOM 1593 CG2 THR B 35 0.446 11.583 17.792 1.00 0.00 C ATOM 0 H THR B 35 -0.762 14.293 18.169 1.00 0.00 H new ATOM 0 HA THR B 35 -0.317 13.133 15.541 1.00 0.00 H new ATOM 0 HB THR B 35 -1.162 11.098 16.480 1.00 0.00 H new ATOM 0 HG1 THR B 35 -1.684 12.666 18.837 1.00 0.00 H new ATOM 0 HG21 THR B 35 0.407 10.641 18.340 1.00 0.00 H new ATOM 0 HG22 THR B 35 1.180 11.506 16.989 1.00 0.00 H new ATOM 0 HG23 THR B 35 0.734 12.386 18.471 1.00 0.00 H new ATOM 1601 N LEU B 36 -2.851 12.583 14.931 1.00 0.00 N ATOM 1602 CA LEU B 36 -4.236 12.563 14.431 1.00 0.00 C ATOM 1603 C LEU B 36 -5.287 12.131 15.478 1.00 0.00 C ATOM 1604 O LEU B 36 -6.482 12.330 15.264 1.00 0.00 O ATOM 1605 CB LEU B 36 -4.313 11.754 13.119 1.00 0.00 C ATOM 1606 CG LEU B 36 -4.079 10.231 13.198 1.00 0.00 C ATOM 1607 CD1 LEU B 36 -5.309 9.440 13.646 1.00 0.00 C ATOM 1608 CD2 LEU B 36 -3.700 9.739 11.793 1.00 0.00 C ATOM 0 H LEU B 36 -2.246 11.901 14.474 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.511 13.595 14.213 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.297 11.919 12.681 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.582 12.170 12.426 1.00 0.00 H new ATOM 0 HG LEU B 36 -3.297 10.066 13.940 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.067 8.378 13.677 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.614 9.772 14.638 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.124 9.606 12.942 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.528 8.663 11.818 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.511 9.961 11.099 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.792 10.244 11.463 1.00 0.00 H new ATOM 1620 N PHE B 37 -4.853 11.578 16.620 1.00 0.00 N ATOM 1621 CA PHE B 37 -5.697 11.241 17.773 1.00 0.00 C ATOM 1622 C PHE B 37 -6.001 12.448 18.684 1.00 0.00 C ATOM 1623 O PHE B 37 -6.633 12.293 19.731 1.00 0.00 O ATOM 1624 CB PHE B 37 -5.028 10.106 18.565 1.00 0.00 C ATOM 1625 CG PHE B 37 -4.642 8.899 17.733 1.00 0.00 C ATOM 1626 CD1 PHE B 37 -3.287 8.660 17.423 1.00 0.00 C ATOM 1627 CD2 PHE B 37 -5.637 8.028 17.245 1.00 0.00 C ATOM 1628 CE1 PHE B 37 -2.928 7.554 16.630 1.00 0.00 C ATOM 1629 CE2 PHE B 37 -5.275 6.918 16.460 1.00 0.00 C ATOM 1630 CZ PHE B 37 -3.920 6.683 16.154 1.00 0.00 C ATOM 0 H PHE B 37 -3.871 11.346 16.770 1.00 0.00 H new ATOM 0 HA PHE B 37 -6.665 10.915 17.392 1.00 0.00 H new ATOM 0 HB2 PHE B 37 -4.134 10.497 19.051 1.00 0.00 H new ATOM 0 HB3 PHE B 37 -5.705 9.784 19.356 1.00 0.00 H new ATOM 0 HD1 PHE B 37 -2.523 9.327 17.795 1.00 0.00 H new ATOM 0 HD2 PHE B 37 -6.676 8.213 17.473 1.00 0.00 H new ATOM 0 HE1 PHE B 37 -1.891 7.376 16.388 1.00 0.00 H new ATOM 0 HE2 PHE B 37 -6.036 6.246 16.092 1.00 0.00 H new ATOM 0 HZ PHE B 37 -3.644 5.830 15.551 1.00 0.00 H new ATOM 1640 N ASP B 38 -5.536 13.648 18.304 1.00 0.00 N ATOM 1641 CA ASP B 38 -5.515 14.889 19.101 1.00 0.00 C ATOM 1642 C ASP B 38 -4.691 14.785 20.407 1.00 0.00 C ATOM 1643 O ASP B 38 -4.775 15.653 21.280 1.00 0.00 O ATOM 1644 CB ASP B 38 -6.933 15.458 19.321 1.00 0.00 C ATOM 1645 CG ASP B 38 -7.767 15.624 18.032 1.00 0.00 C ATOM 1646 OD1 ASP B 38 -9.011 15.451 18.098 1.00 0.00 O ATOM 1647 OD2 ASP B 38 -7.211 15.973 16.966 1.00 0.00 O1- ATOM 0 H ASP B 38 -5.140 13.789 17.375 1.00 0.00 H new ATOM 0 HA ASP B 38 -4.974 15.619 18.498 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -7.472 14.801 20.004 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -6.849 16.428 19.811 1.00 0.00 H new ATOM 1652 N GLU B 39 -3.859 13.746 20.547 1.00 0.00 N ATOM 1653 CA GLU B 39 -2.860 13.620 21.616 1.00 0.00 C ATOM 1654 C GLU B 39 -1.604 14.450 21.302 1.00 0.00 C ATOM 1655 O GLU B 39 -1.146 14.491 20.156 1.00 0.00 O ATOM 1656 CB GLU B 39 -2.480 12.147 21.846 1.00 0.00 C ATOM 1657 CG GLU B 39 -3.654 11.261 22.290 1.00 0.00 C ATOM 1658 CD GLU B 39 -4.308 11.685 23.622 1.00 0.00 C ATOM 1659 OE1 GLU B 39 -5.524 11.430 23.806 1.00 0.00 O ATOM 1660 OE2 GLU B 39 -3.620 12.250 24.509 1.00 0.00 O1- ATOM 0 H GLU B 39 -3.861 12.952 19.907 1.00 0.00 H new ATOM 0 HA GLU B 39 -3.308 14.008 22.531 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -2.061 11.742 20.925 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.696 12.098 22.601 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -4.414 11.268 21.508 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -3.302 10.234 22.383 1.00 0.00 H new ATOM 1667 N GLU B 40 -1.030 15.093 22.322 1.00 0.00 N ATOM 1668 CA GLU B 40 0.181 15.921 22.229 1.00 0.00 C ATOM 1669 C GLU B 40 1.302 15.392 23.141 1.00 0.00 C ATOM 1670 O GLU B 40 1.054 14.982 24.280 1.00 0.00 O ATOM 1671 CB GLU B 40 -0.170 17.394 22.538 1.00 0.00 C ATOM 1672 CG GLU B 40 1.036 18.349 22.495 1.00 0.00 C ATOM 1673 CD GLU B 40 0.671 19.789 22.876 1.00 0.00 C ATOM 1674 OE1 GLU B 40 1.412 20.408 23.676 1.00 0.00 O ATOM 1675 OE2 GLU B 40 -0.309 20.368 22.349 1.00 0.00 O1- ATOM 0 H GLU B 40 -1.407 15.052 23.269 1.00 0.00 H new ATOM 0 HA GLU B 40 0.565 15.866 21.210 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -0.917 17.736 21.822 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -0.628 17.448 23.526 1.00 0.00 H new ATOM 0 HG2 GLU B 40 1.807 17.983 23.173 1.00 0.00 H new ATOM 0 HG3 GLU B 40 1.464 18.341 21.492 1.00 0.00 H new ATOM 1682 N HIS B 41 2.541 15.461 22.653 1.00 0.00 N ATOM 1683 CA HIS B 41 3.787 15.188 23.383 1.00 0.00 C ATOM 1684 C HIS B 41 4.694 16.425 23.357 1.00 0.00 C ATOM 1685 O HIS B 41 4.654 17.197 22.397 1.00 0.00 O ATOM 1686 CB HIS B 41 4.495 13.958 22.782 1.00 0.00 C ATOM 1687 CG HIS B 41 3.604 12.752 22.574 1.00 0.00 C ATOM 1688 ND1 HIS B 41 3.318 11.763 23.523 1.00 0.00 N ATOM 1689 CD2 HIS B 41 2.911 12.478 21.428 1.00 0.00 C ATOM 1690 CE1 HIS B 41 2.470 10.915 22.918 1.00 0.00 C ATOM 1691 NE2 HIS B 41 2.210 11.317 21.659 1.00 0.00 N ATOM 0 H HIS B 41 2.716 15.724 21.683 1.00 0.00 H new ATOM 0 HA HIS B 41 3.553 14.964 24.424 1.00 0.00 H new ATOM 0 HB2 HIS B 41 4.931 14.240 21.824 1.00 0.00 H new ATOM 0 HB3 HIS B 41 5.319 13.675 23.437 1.00 0.00 H new ATOM 0 HD2 HIS B 41 2.913 13.060 20.518 1.00 0.00 H new ATOM 0 HE1 HIS B 41 2.053 10.031 23.378 1.00 0.00 H new ATOM 0 HE2 HIS B 41 1.600 10.843 20.993 1.00 0.00 H new ATOM 1699 N ALA B 42 5.527 16.627 24.385 1.00 0.00 N ATOM 1700 CA ALA B 42 6.393 17.803 24.504 1.00 0.00 C ATOM 1701 C ALA B 42 7.758 17.467 25.122 1.00 0.00 C ATOM 1702 O ALA B 42 7.848 16.638 26.034 1.00 0.00 O ATOM 1703 CB ALA B 42 5.656 18.886 25.308 1.00 0.00 C ATOM 0 H ALA B 42 5.619 15.973 25.163 1.00 0.00 H new ATOM 0 HA ALA B 42 6.608 18.178 23.504 1.00 0.00 H new ATOM 0 HB1 ALA B 42 6.293 19.766 25.402 1.00 0.00 H new ATOM 0 HB2 ALA B 42 4.735 19.158 24.793 1.00 0.00 H new ATOM 0 HB3 ALA B 42 5.417 18.503 26.300 1.00 0.00 H new ATOM 1709 N PHE B 43 8.818 18.120 24.631 1.00 0.00 N ATOM 1710 CA PHE B 43 10.215 17.825 24.976 1.00 0.00 C ATOM 1711 C PHE B 43 11.043 19.122 25.107 1.00 0.00 C ATOM 1712 O PHE B 43 11.319 19.771 24.092 1.00 0.00 O ATOM 1713 CB PHE B 43 10.815 16.872 23.923 1.00 0.00 C ATOM 1714 CG PHE B 43 10.049 15.569 23.756 1.00 0.00 C ATOM 1715 CD1 PHE B 43 9.084 15.436 22.738 1.00 0.00 C ATOM 1716 CD2 PHE B 43 10.265 14.501 24.651 1.00 0.00 C ATOM 1717 CE1 PHE B 43 8.341 14.248 22.619 1.00 0.00 C ATOM 1718 CE2 PHE B 43 9.521 13.312 24.533 1.00 0.00 C ATOM 1719 CZ PHE B 43 8.558 13.183 23.516 1.00 0.00 C ATOM 0 H PHE B 43 8.726 18.888 23.966 1.00 0.00 H new ATOM 0 HA PHE B 43 10.245 17.332 25.948 1.00 0.00 H new ATOM 0 HB2 PHE B 43 10.851 17.386 22.962 1.00 0.00 H new ATOM 0 HB3 PHE B 43 11.844 16.643 24.200 1.00 0.00 H new ATOM 0 HD1 PHE B 43 8.914 16.249 22.047 1.00 0.00 H new ATOM 0 HD2 PHE B 43 11.005 14.596 25.431 1.00 0.00 H new ATOM 0 HE1 PHE B 43 7.602 14.151 21.838 1.00 0.00 H new ATOM 0 HE2 PHE B 43 9.690 12.499 25.223 1.00 0.00 H new ATOM 0 HZ PHE B 43 7.987 12.271 23.423 1.00 0.00 H new ATOM 1729 N PRO B 44 11.430 19.539 26.331 1.00 0.00 N ATOM 1730 CA PRO B 44 12.226 20.747 26.545 1.00 0.00 C ATOM 1731 C PRO B 44 13.678 20.567 26.083 1.00 0.00 C ATOM 1732 O PRO B 44 14.256 19.479 26.180 1.00 0.00 O ATOM 1733 CB PRO B 44 12.130 21.047 28.045 1.00 0.00 C ATOM 1734 CG PRO B 44 11.941 19.664 28.667 1.00 0.00 C ATOM 1735 CD PRO B 44 11.112 18.919 27.613 1.00 0.00 C ATOM 0 HA PRO B 44 11.848 21.580 25.953 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.031 21.536 28.416 1.00 0.00 H new ATOM 0 HB3 PRO B 44 11.293 21.708 28.271 1.00 0.00 H new ATOM 0 HG2 PRO B 44 12.896 19.171 28.851 1.00 0.00 H new ATOM 0 HG3 PRO B 44 11.421 19.720 29.623 1.00 0.00 H new ATOM 0 HD2 PRO B 44 11.358 17.857 27.603 1.00 0.00 H new ATOM 0 HD3 PRO B 44 10.047 18.997 27.829 1.00 0.00 H new ATOM 1743 N GLY B 45 14.288 21.654 25.594 1.00 0.00 N ATOM 1744 CA GLY B 45 15.702 21.717 25.202 1.00 0.00 C ATOM 1745 C GLY B 45 16.063 21.007 23.891 1.00 0.00 C ATOM 1746 O GLY B 45 17.246 20.923 23.548 1.00 0.00 O ATOM 0 H GLY B 45 13.798 22.538 25.456 1.00 0.00 H new ATOM 0 HA2 GLY B 45 15.990 22.765 25.117 1.00 0.00 H new ATOM 0 HA3 GLY B 45 16.301 21.286 26.004 1.00 0.00 H new ATOM 1750 N LEU B 46 15.074 20.500 23.146 1.00 0.00 N ATOM 1751 CA LEU B 46 15.241 19.992 21.778 1.00 0.00 C ATOM 1752 C LEU B 46 14.892 21.057 20.719 1.00 0.00 C ATOM 1753 O LEU B 46 14.244 22.068 21.007 1.00 0.00 O ATOM 1754 CB LEU B 46 14.416 18.705 21.574 1.00 0.00 C ATOM 1755 CG LEU B 46 14.734 17.540 22.533 1.00 0.00 C ATOM 1756 CD1 LEU B 46 13.986 16.289 22.065 1.00 0.00 C ATOM 1757 CD2 LEU B 46 16.225 17.187 22.582 1.00 0.00 C ATOM 0 H LEU B 46 14.114 20.430 23.484 1.00 0.00 H new ATOM 0 HA LEU B 46 16.295 19.749 21.643 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.360 18.954 21.674 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.566 18.359 20.551 1.00 0.00 H new ATOM 0 HG LEU B 46 14.426 17.864 23.527 1.00 0.00 H new ATOM 0 HD11 LEU B 46 14.206 15.460 22.738 1.00 0.00 H new ATOM 0 HD12 LEU B 46 12.914 16.484 22.068 1.00 0.00 H new ATOM 0 HD13 LEU B 46 14.305 16.031 21.055 1.00 0.00 H new ATOM 0 HD21 LEU B 46 16.381 16.360 23.275 1.00 0.00 H new ATOM 0 HD22 LEU B 46 16.563 16.896 21.587 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.793 18.054 22.919 1.00 0.00 H new ATOM 1769 N ALA B 47 15.294 20.789 19.479 1.00 0.00 N ATOM 1770 CA ALA B 47 14.955 21.519 18.259 1.00 0.00 C ATOM 1771 C ALA B 47 14.750 20.542 17.077 1.00 0.00 C ATOM 1772 O ALA B 47 15.209 19.394 17.121 1.00 0.00 O ATOM 1773 CB ALA B 47 16.070 22.534 17.975 1.00 0.00 C ATOM 0 H ALA B 47 15.910 19.999 19.286 1.00 0.00 H new ATOM 0 HA ALA B 47 14.014 22.054 18.389 1.00 0.00 H new ATOM 0 HB1 ALA B 47 15.834 23.089 17.067 1.00 0.00 H new ATOM 0 HB2 ALA B 47 16.153 23.227 18.812 1.00 0.00 H new ATOM 0 HB3 ALA B 47 17.016 22.008 17.844 1.00 0.00 H new ATOM 1779 N ILE B 48 14.053 20.979 16.020 1.00 0.00 N ATOM 1780 CA ILE B 48 13.853 20.181 14.803 1.00 0.00 C ATOM 1781 C ILE B 48 15.147 20.209 13.970 1.00 0.00 C ATOM 1782 O ILE B 48 15.585 21.285 13.550 1.00 0.00 O ATOM 1783 CB ILE B 48 12.615 20.662 14.005 1.00 0.00 C ATOM 1784 CG1 ILE B 48 11.323 20.669 14.856 1.00 0.00 C ATOM 1785 CG2 ILE B 48 12.434 19.777 12.760 1.00 0.00 C ATOM 1786 CD1 ILE B 48 10.163 21.433 14.205 1.00 0.00 C ATOM 0 H ILE B 48 13.611 21.898 15.985 1.00 0.00 H new ATOM 0 HA ILE B 48 13.642 19.146 15.073 1.00 0.00 H new ATOM 0 HB ILE B 48 12.795 21.694 13.705 1.00 0.00 H new ATOM 0 HG12 ILE B 48 11.012 19.640 15.038 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.540 21.113 15.827 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.563 20.114 12.197 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.322 19.847 12.131 1.00 0.00 H new ATOM 0 HG23 ILE B 48 12.288 18.742 13.068 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.291 21.396 14.858 1.00 0.00 H new ATOM 0 HD12 ILE B 48 10.454 22.471 14.047 1.00 0.00 H new ATOM 0 HD13 ILE B 48 9.918 20.975 13.246 1.00 0.00 H new ATOM 1798 N GLY B 49 15.772 19.048 13.744 1.00 0.00 N ATOM 1799 CA GLY B 49 17.055 18.920 13.044 1.00 0.00 C ATOM 1800 C GLY B 49 16.938 18.521 11.568 1.00 0.00 C ATOM 1801 O GLY B 49 17.693 19.031 10.736 1.00 0.00 O ATOM 0 H GLY B 49 15.392 18.152 14.049 1.00 0.00 H new ATOM 0 HA2 GLY B 49 17.586 19.870 13.109 1.00 0.00 H new ATOM 0 HA3 GLY B 49 17.664 18.178 13.561 1.00 0.00 H new ATOM 1805 N ARG B 50 15.992 17.638 11.220 1.00 0.00 N ATOM 1806 CA ARG B 50 15.782 17.149 9.842 1.00 0.00 C ATOM 1807 C ARG B 50 14.316 16.792 9.595 1.00 0.00 C ATOM 1808 O ARG B 50 13.655 16.242 10.478 1.00 0.00 O ATOM 1809 CB ARG B 50 16.731 15.960 9.570 1.00 0.00 C ATOM 1810 CG ARG B 50 17.223 15.833 8.129 1.00 0.00 C ATOM 1811 CD ARG B 50 16.320 15.007 7.213 1.00 0.00 C ATOM 1812 NE ARG B 50 16.818 15.064 5.834 1.00 0.00 N ATOM 1813 CZ ARG B 50 17.602 14.197 5.223 1.00 0.00 C ATOM 1814 NH1 ARG B 50 17.982 13.075 5.765 1.00 0.00 N1+ ATOM 1815 NH2 ARG B 50 18.037 14.469 4.030 1.00 0.00 N ATOM 0 H ARG B 50 15.340 17.235 11.893 1.00 0.00 H new ATOM 0 HA ARG B 50 16.022 17.945 9.137 1.00 0.00 H new ATOM 0 HB2 ARG B 50 17.597 16.051 10.225 1.00 0.00 H new ATOM 0 HB3 ARG B 50 16.219 15.038 9.844 1.00 0.00 H new ATOM 0 HG2 ARG B 50 17.328 16.832 7.707 1.00 0.00 H new ATOM 0 HG3 ARG B 50 18.216 15.384 8.137 1.00 0.00 H new ATOM 0 HD2 ARG B 50 16.290 13.973 7.555 1.00 0.00 H new ATOM 0 HD3 ARG B 50 15.299 15.387 7.256 1.00 0.00 H new ATOM 0 HE ARG B 50 16.523 15.870 5.282 1.00 0.00 H new ATOM 0 HH11 ARG B 50 17.672 12.832 6.706 1.00 0.00 H new ATOM 0 HH12 ARG B 50 18.590 12.439 5.248 1.00 0.00 H new ATOM 0 HH21 ARG B 50 17.772 15.344 3.578 1.00 0.00 H new ATOM 0 HH22 ARG B 50 18.644 13.808 3.545 1.00 0.00 H new ATOM 1829 N VAL B 51 13.831 17.046 8.383 1.00 0.00 N ATOM 1830 CA VAL B 51 12.494 16.664 7.893 1.00 0.00 C ATOM 1831 C VAL B 51 12.645 15.964 6.544 1.00 0.00 C ATOM 1832 O VAL B 51 13.341 16.475 5.671 1.00 0.00 O ATOM 1833 CB VAL B 51 11.586 17.906 7.761 1.00 0.00 C ATOM 1834 CG1 VAL B 51 10.165 17.530 7.313 1.00 0.00 C ATOM 1835 CG2 VAL B 51 11.482 18.696 9.075 1.00 0.00 C ATOM 0 H VAL B 51 14.376 17.545 7.679 1.00 0.00 H new ATOM 0 HA VAL B 51 12.026 15.986 8.606 1.00 0.00 H new ATOM 0 HB VAL B 51 12.058 18.531 7.003 1.00 0.00 H new ATOM 0 HG11 VAL B 51 9.558 18.432 7.232 1.00 0.00 H new ATOM 0 HG12 VAL B 51 10.208 17.034 6.343 1.00 0.00 H new ATOM 0 HG13 VAL B 51 9.719 16.857 8.045 1.00 0.00 H new ATOM 0 HG21 VAL B 51 10.833 19.559 8.930 1.00 0.00 H new ATOM 0 HG22 VAL B 51 11.066 18.056 9.853 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.474 19.034 9.376 1.00 0.00 H new ATOM 1845 N ASP B 52 12.005 14.811 6.354 1.00 0.00 N ATOM 1846 CA ASP B 52 12.071 14.028 5.114 1.00 0.00 C ATOM 1847 C ASP B 52 10.711 13.378 4.817 1.00 0.00 C ATOM 1848 O ASP B 52 10.319 12.390 5.440 1.00 0.00 O ATOM 1849 CB ASP B 52 13.217 13.013 5.228 1.00 0.00 C ATOM 1850 CG ASP B 52 13.502 12.252 3.923 1.00 0.00 C ATOM 1851 OD1 ASP B 52 12.683 12.287 2.978 1.00 0.00 O ATOM 1852 OD2 ASP B 52 14.586 11.630 3.816 1.00 0.00 O1- ATOM 0 H ASP B 52 11.415 14.385 7.068 1.00 0.00 H new ATOM 0 HA ASP B 52 12.286 14.674 4.263 1.00 0.00 H new ATOM 0 HB2 ASP B 52 14.122 13.534 5.539 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.977 12.295 6.012 1.00 0.00 H new ATOM 1857 N LEU B 53 9.977 13.949 3.859 1.00 0.00 N ATOM 1858 CA LEU B 53 8.622 13.525 3.492 1.00 0.00 C ATOM 1859 C LEU B 53 8.612 12.249 2.623 1.00 0.00 C ATOM 1860 O LEU B 53 7.572 11.599 2.509 1.00 0.00 O ATOM 1861 CB LEU B 53 7.881 14.674 2.775 1.00 0.00 C ATOM 1862 CG LEU B 53 7.720 16.025 3.506 1.00 0.00 C ATOM 1863 CD1 LEU B 53 7.412 15.880 4.994 1.00 0.00 C ATOM 1864 CD2 LEU B 53 8.913 16.963 3.324 1.00 0.00 C ATOM 0 H LEU B 53 10.314 14.736 3.305 1.00 0.00 H new ATOM 0 HA LEU B 53 8.101 13.279 4.417 1.00 0.00 H new ATOM 0 HB2 LEU B 53 8.400 14.866 1.836 1.00 0.00 H new ATOM 0 HB3 LEU B 53 6.884 14.315 2.520 1.00 0.00 H new ATOM 0 HG LEU B 53 6.854 16.476 3.021 1.00 0.00 H new ATOM 0 HD11 LEU B 53 7.312 16.868 5.443 1.00 0.00 H new ATOM 0 HD12 LEU B 53 6.481 15.328 5.121 1.00 0.00 H new ATOM 0 HD13 LEU B 53 8.223 15.340 5.483 1.00 0.00 H new ATOM 0 HD21 LEU B 53 8.731 17.892 3.864 1.00 0.00 H new ATOM 0 HD22 LEU B 53 9.813 16.487 3.713 1.00 0.00 H new ATOM 0 HD23 LEU B 53 9.047 17.180 2.264 1.00 0.00 H new ATOM 1876 N ARG B 54 9.761 11.865 2.050 1.00 0.00 N ATOM 1877 CA ARG B 54 9.940 10.620 1.277 1.00 0.00 C ATOM 1878 C ARG B 54 9.884 9.407 2.203 1.00 0.00 C ATOM 1879 O ARG B 54 9.175 8.437 1.925 1.00 0.00 O ATOM 1880 CB ARG B 54 11.284 10.628 0.523 1.00 0.00 C ATOM 1881 CG ARG B 54 11.595 11.924 -0.238 1.00 0.00 C ATOM 1882 CD ARG B 54 13.052 11.962 -0.720 1.00 0.00 C ATOM 1883 NE ARG B 54 13.983 12.061 0.421 1.00 0.00 N ATOM 1884 CZ ARG B 54 15.305 12.111 0.364 1.00 0.00 C ATOM 1885 NH1 ARG B 54 15.954 12.170 -0.768 1.00 0.00 N1+ ATOM 1886 NH2 ARG B 54 16.002 12.088 1.458 1.00 0.00 N ATOM 0 H ARG B 54 10.614 12.422 2.110 1.00 0.00 H new ATOM 0 HA ARG B 54 9.130 10.559 0.550 1.00 0.00 H new ATOM 0 HB2 ARG B 54 12.085 10.444 1.238 1.00 0.00 H new ATOM 0 HB3 ARG B 54 11.291 9.799 -0.184 1.00 0.00 H new ATOM 0 HG2 ARG B 54 10.926 12.013 -1.094 1.00 0.00 H new ATOM 0 HG3 ARG B 54 11.403 12.781 0.408 1.00 0.00 H new ATOM 0 HD2 ARG B 54 13.272 11.064 -1.297 1.00 0.00 H new ATOM 0 HD3 ARG B 54 13.196 12.812 -1.387 1.00 0.00 H new ATOM 0 HE ARG B 54 13.564 12.094 1.351 1.00 0.00 H new ATOM 0 HH11 ARG B 54 15.441 12.179 -1.650 1.00 0.00 H new ATOM 0 HH12 ARG B 54 16.973 12.207 -0.770 1.00 0.00 H new ATOM 0 HH21 ARG B 54 15.532 12.031 2.361 1.00 0.00 H new ATOM 0 HH22 ARG B 54 17.020 12.126 1.415 1.00 0.00 H new ATOM 1900 N SER B 55 10.594 9.494 3.333 1.00 0.00 N ATOM 1901 CA SER B 55 10.566 8.517 4.432 1.00 0.00 C ATOM 1902 C SER B 55 9.369 8.711 5.381 1.00 0.00 C ATOM 1903 O SER B 55 8.947 7.758 6.041 1.00 0.00 O ATOM 1904 CB SER B 55 11.861 8.607 5.248 1.00 0.00 C ATOM 1905 OG SER B 55 13.002 8.324 4.454 1.00 0.00 O ATOM 0 H SER B 55 11.227 10.273 3.516 1.00 0.00 H new ATOM 0 HA SER B 55 10.466 7.536 3.968 1.00 0.00 H new ATOM 0 HB2 SER B 55 11.953 9.606 5.675 1.00 0.00 H new ATOM 0 HB3 SER B 55 11.815 7.907 6.082 1.00 0.00 H new ATOM 0 HG SER B 55 13.809 8.392 5.005 1.00 0.00 H new ATOM 1911 N GLY B 56 8.834 9.935 5.475 1.00 0.00 N ATOM 1912 CA GLY B 56 7.818 10.332 6.457 1.00 0.00 C ATOM 1913 C GLY B 56 8.408 10.494 7.863 1.00 0.00 C ATOM 1914 O GLY B 56 7.805 10.036 8.832 1.00 0.00 O ATOM 0 H GLY B 56 9.104 10.697 4.853 1.00 0.00 H new ATOM 0 HA2 GLY B 56 7.361 11.271 6.146 1.00 0.00 H new ATOM 0 HA3 GLY B 56 7.025 9.584 6.481 1.00 0.00 H new ATOM 1918 N VAL B 57 9.597 11.092 7.989 1.00 0.00 N ATOM 1919 CA VAL B 57 10.373 11.154 9.242 1.00 0.00 C ATOM 1920 C VAL B 57 10.745 12.591 9.617 1.00 0.00 C ATOM 1921 O VAL B 57 11.158 13.385 8.767 1.00 0.00 O ATOM 1922 CB VAL B 57 11.617 10.240 9.170 1.00 0.00 C ATOM 1923 CG1 VAL B 57 12.540 10.376 10.389 1.00 0.00 C ATOM 1924 CG2 VAL B 57 11.213 8.762 9.075 1.00 0.00 C ATOM 0 H VAL B 57 10.061 11.558 7.209 1.00 0.00 H new ATOM 0 HA VAL B 57 9.733 10.780 10.041 1.00 0.00 H new ATOM 0 HB VAL B 57 12.152 10.564 8.277 1.00 0.00 H new ATOM 0 HG11 VAL B 57 13.394 9.708 10.275 1.00 0.00 H new ATOM 0 HG12 VAL B 57 12.892 11.405 10.466 1.00 0.00 H new ATOM 0 HG13 VAL B 57 11.991 10.112 11.293 1.00 0.00 H new ATOM 0 HG21 VAL B 57 12.108 8.142 9.026 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.629 8.487 9.954 1.00 0.00 H new ATOM 0 HG23 VAL B 57 10.614 8.606 8.178 1.00 0.00 H new ATOM 1934 N ILE B 58 10.646 12.904 10.910 1.00 0.00 N ATOM 1935 CA ILE B 58 11.132 14.138 11.540 1.00 0.00 C ATOM 1936 C ILE B 58 12.140 13.755 12.635 1.00 0.00 C ATOM 1937 O ILE B 58 11.802 13.034 13.580 1.00 0.00 O ATOM 1938 CB ILE B 58 9.955 14.983 12.089 1.00 0.00 C ATOM 1939 CG1 ILE B 58 9.032 15.436 10.937 1.00 0.00 C ATOM 1940 CG2 ILE B 58 10.466 16.203 12.877 1.00 0.00 C ATOM 1941 CD1 ILE B 58 7.706 16.056 11.392 1.00 0.00 C ATOM 0 H ILE B 58 10.204 12.275 11.581 1.00 0.00 H new ATOM 0 HA ILE B 58 11.634 14.766 10.804 1.00 0.00 H new ATOM 0 HB ILE B 58 9.382 14.356 12.772 1.00 0.00 H new ATOM 0 HG12 ILE B 58 9.566 16.162 10.324 1.00 0.00 H new ATOM 0 HG13 ILE B 58 8.818 14.577 10.301 1.00 0.00 H new ATOM 0 HG21 ILE B 58 9.618 16.777 13.250 1.00 0.00 H new ATOM 0 HG22 ILE B 58 11.073 15.865 13.717 1.00 0.00 H new ATOM 0 HG23 ILE B 58 11.070 16.832 12.223 1.00 0.00 H new ATOM 0 HD11 ILE B 58 7.121 16.345 10.519 1.00 0.00 H new ATOM 0 HD12 ILE B 58 7.146 15.328 11.979 1.00 0.00 H new ATOM 0 HD13 ILE B 58 7.907 16.937 12.002 1.00 0.00 H new ATOM 1953 N SER B 59 13.379 14.233 12.511 1.00 0.00 N ATOM 1954 CA SER B 59 14.469 13.972 13.462 1.00 0.00 C ATOM 1955 C SER B 59 14.707 15.183 14.366 1.00 0.00 C ATOM 1956 O SER B 59 14.889 16.302 13.874 1.00 0.00 O ATOM 1957 CB SER B 59 15.743 13.596 12.700 1.00 0.00 C ATOM 1958 OG SER B 59 16.786 13.252 13.597 1.00 0.00 O ATOM 0 H SER B 59 13.662 14.826 11.731 1.00 0.00 H new ATOM 0 HA SER B 59 14.185 13.136 14.101 1.00 0.00 H new ATOM 0 HB2 SER B 59 15.539 12.757 12.034 1.00 0.00 H new ATOM 0 HB3 SER B 59 16.057 14.431 12.074 1.00 0.00 H new ATOM 0 HG SER B 59 17.589 13.014 13.089 1.00 0.00 H new ATOM 1964 N LEU B 60 14.707 14.965 15.684 1.00 0.00 N ATOM 1965 CA LEU B 60 14.990 15.977 16.701 1.00 0.00 C ATOM 1966 C LEU B 60 16.451 15.919 17.185 1.00 0.00 C ATOM 1967 O LEU B 60 17.059 14.848 17.248 1.00 0.00 O ATOM 1968 CB LEU B 60 14.012 15.833 17.878 1.00 0.00 C ATOM 1969 CG LEU B 60 12.519 15.911 17.503 1.00 0.00 C ATOM 1970 CD1 LEU B 60 11.680 15.672 18.758 1.00 0.00 C ATOM 1971 CD2 LEU B 60 12.148 17.270 16.909 1.00 0.00 C ATOM 0 H LEU B 60 14.503 14.049 16.084 1.00 0.00 H new ATOM 0 HA LEU B 60 14.849 16.956 16.244 1.00 0.00 H new ATOM 0 HB2 LEU B 60 14.198 14.878 18.369 1.00 0.00 H new ATOM 0 HB3 LEU B 60 14.228 16.614 18.607 1.00 0.00 H new ATOM 0 HG LEU B 60 12.321 15.150 16.748 1.00 0.00 H new ATOM 0 HD11 LEU B 60 10.621 15.725 18.504 1.00 0.00 H new ATOM 0 HD12 LEU B 60 11.906 14.686 19.165 1.00 0.00 H new ATOM 0 HD13 LEU B 60 11.913 16.434 19.502 1.00 0.00 H new ATOM 0 HD21 LEU B 60 11.087 17.281 16.659 1.00 0.00 H new ATOM 0 HD22 LEU B 60 12.357 18.054 17.636 1.00 0.00 H new ATOM 0 HD23 LEU B 60 12.735 17.445 16.007 1.00 0.00 H new ATOM 1983 N ILE B 61 16.993 17.080 17.562 1.00 0.00 N ATOM 1984 CA ILE B 61 18.374 17.280 18.048 1.00 0.00 C ATOM 1985 C ILE B 61 18.385 18.173 19.300 1.00 0.00 C ATOM 1986 O ILE B 61 17.432 18.907 19.560 1.00 0.00 O ATOM 1987 CB ILE B 61 19.294 17.845 16.937 1.00 0.00 C ATOM 1988 CG1 ILE B 61 18.875 19.254 16.443 1.00 0.00 C ATOM 1989 CG2 ILE B 61 19.374 16.868 15.748 1.00 0.00 C ATOM 1990 CD1 ILE B 61 19.696 20.391 17.057 1.00 0.00 C ATOM 0 H ILE B 61 16.462 17.951 17.538 1.00 0.00 H new ATOM 0 HA ILE B 61 18.775 16.306 18.327 1.00 0.00 H new ATOM 0 HB ILE B 61 20.280 17.954 17.390 1.00 0.00 H new ATOM 0 HG12 ILE B 61 18.972 19.293 15.358 1.00 0.00 H new ATOM 0 HG13 ILE B 61 17.822 19.412 16.675 1.00 0.00 H new ATOM 0 HG21 ILE B 61 20.025 17.284 14.979 1.00 0.00 H new ATOM 0 HG22 ILE B 61 19.777 15.914 16.088 1.00 0.00 H new ATOM 0 HG23 ILE B 61 18.377 16.715 15.335 1.00 0.00 H new ATOM 0 HD11 ILE B 61 19.346 21.346 16.664 1.00 0.00 H new ATOM 0 HD12 ILE B 61 19.580 20.380 18.141 1.00 0.00 H new ATOM 0 HD13 ILE B 61 20.748 20.258 16.804 1.00 0.00 H new ATOM 2002 N GLU B 62 19.461 18.118 20.087 1.00 0.00 N ATOM 2003 CA GLU B 62 19.648 18.942 21.294 1.00 0.00 C ATOM 2004 C GLU B 62 19.980 20.393 20.918 1.00 0.00 C ATOM 2005 O GLU B 62 20.971 20.655 20.229 1.00 0.00 O ATOM 2006 CB GLU B 62 20.737 18.352 22.205 1.00 0.00 C ATOM 2007 CG GLU B 62 20.370 16.972 22.756 1.00 0.00 C ATOM 2008 CD GLU B 62 21.461 16.399 23.682 1.00 0.00 C ATOM 2009 OE1 GLU B 62 21.792 15.194 23.554 1.00 0.00 O ATOM 2010 OE2 GLU B 62 21.992 17.129 24.559 1.00 0.00 O1- ATOM 0 H GLU B 62 20.244 17.490 19.905 1.00 0.00 H new ATOM 0 HA GLU B 62 18.710 18.940 21.849 1.00 0.00 H new ATOM 0 HB2 GLU B 62 21.670 18.278 21.646 1.00 0.00 H new ATOM 0 HB3 GLU B 62 20.916 19.034 23.036 1.00 0.00 H new ATOM 0 HG2 GLU B 62 19.431 17.041 23.305 1.00 0.00 H new ATOM 0 HG3 GLU B 62 20.204 16.285 21.926 1.00 0.00 H new ATOM 2017 N GLU B 63 19.161 21.343 21.362 1.00 0.00 N ATOM 2018 CA GLU B 63 19.264 22.759 20.990 1.00 0.00 C ATOM 2019 C GLU B 63 20.581 23.400 21.474 1.00 0.00 C ATOM 2020 O GLU B 63 20.899 23.390 22.669 1.00 0.00 O ATOM 2021 CB GLU B 63 18.035 23.510 21.531 1.00 0.00 C ATOM 2022 CG GLU B 63 17.947 24.948 21.004 1.00 0.00 C ATOM 2023 CD GLU B 63 16.802 25.738 21.662 1.00 0.00 C ATOM 2024 OE1 GLU B 63 16.111 26.510 20.958 1.00 0.00 O ATOM 2025 OE2 GLU B 63 16.627 25.661 22.900 1.00 0.00 O1- ATOM 0 H GLU B 63 18.391 21.151 22.003 1.00 0.00 H new ATOM 0 HA GLU B 63 19.282 22.831 19.903 1.00 0.00 H new ATOM 0 HB2 GLU B 63 17.131 22.969 21.253 1.00 0.00 H new ATOM 0 HB3 GLU B 63 18.074 23.527 22.620 1.00 0.00 H new ATOM 0 HG2 GLU B 63 18.892 25.459 21.188 1.00 0.00 H new ATOM 0 HG3 GLU B 63 17.800 24.929 19.924 1.00 0.00 H new ATOM 2032 N GLN B 64 21.353 23.987 20.553 1.00 0.00 N ATOM 2033 CA GLN B 64 22.692 24.544 20.813 1.00 0.00 C ATOM 2034 C GLN B 64 22.675 25.997 21.339 1.00 0.00 C ATOM 2035 O GLN B 64 23.730 26.609 21.539 1.00 0.00 O ATOM 2036 CB GLN B 64 23.568 24.399 19.548 1.00 0.00 C ATOM 2037 CG GLN B 64 23.743 22.942 19.082 1.00 0.00 C ATOM 2038 CD GLN B 64 24.429 22.058 20.129 1.00 0.00 C ATOM 2039 OE1 GLN B 64 25.589 22.243 20.481 1.00 0.00 O ATOM 2040 NE2 GLN B 64 23.763 21.050 20.651 1.00 0.00 N ATOM 0 H GLN B 64 21.060 24.092 19.582 1.00 0.00 H new ATOM 0 HA GLN B 64 23.130 23.963 21.625 1.00 0.00 H new ATOM 0 HB2 GLN B 64 23.123 24.979 18.740 1.00 0.00 H new ATOM 0 HB3 GLN B 64 24.550 24.829 19.745 1.00 0.00 H new ATOM 0 HG2 GLN B 64 22.766 22.522 18.844 1.00 0.00 H new ATOM 0 HG3 GLN B 64 24.328 22.928 18.163 1.00 0.00 H new ATOM 0 HE21 GLN B 64 22.797 20.878 20.372 1.00 0.00 H new ATOM 0 HE22 GLN B 64 24.213 20.441 21.334 1.00 0.00 H new ATOM 2049 N ASN B 65 21.486 26.554 21.589 1.00 0.00 N ATOM 2050 CA ASN B 65 21.280 27.915 22.085 1.00 0.00 C ATOM 2051 C ASN B 65 21.662 28.104 23.575 1.00 0.00 C ATOM 2052 O ASN B 65 21.955 29.220 24.014 1.00 0.00 O ATOM 2053 CB ASN B 65 19.797 28.262 21.837 1.00 0.00 C ATOM 2054 CG ASN B 65 19.471 29.718 22.124 1.00 0.00 C ATOM 2055 OD1 ASN B 65 18.826 30.058 23.109 1.00 0.00 O ATOM 2056 ND2 ASN B 65 19.891 30.625 21.268 1.00 0.00 N ATOM 0 H ASN B 65 20.611 26.050 21.446 1.00 0.00 H new ATOM 0 HA ASN B 65 21.946 28.592 21.549 1.00 0.00 H new ATOM 0 HB2 ASN B 65 19.545 28.037 20.801 1.00 0.00 H new ATOM 0 HB3 ASN B 65 19.171 27.625 22.462 1.00 0.00 H new ATOM 0 HD21 ASN B 65 19.680 31.611 21.425 1.00 0.00 H new ATOM 0 HD22 ASN B 65 20.428 30.342 20.448 1.00 0.00 H new ATOM 2063 N ARG B 66 21.643 27.012 24.356 1.00 0.00 N ATOM 2064 CA ARG B 66 21.768 26.998 25.825 1.00 0.00 C ATOM 2065 C ARG B 66 23.220 26.870 26.308 1.00 0.00 C ATOM 2066 O ARG B 66 23.619 27.653 27.201 1.00 0.00 O ATOM 2067 CB ARG B 66 20.866 25.897 26.423 1.00 0.00 C ATOM 2068 CG ARG B 66 19.426 25.860 25.868 1.00 0.00 C ATOM 2069 CD ARG B 66 18.658 27.187 25.998 1.00 0.00 C ATOM 2070 NE ARG B 66 17.503 27.219 25.089 1.00 0.00 N ATOM 2071 CZ ARG B 66 16.595 28.159 24.978 1.00 0.00 C ATOM 2072 NH1 ARG B 66 15.728 28.049 24.023 1.00 0.00 N1+ ATOM 2073 NH2 ARG B 66 16.524 29.190 25.769 1.00 0.00 N ATOM 2074 OXT ARG B 66 23.958 25.995 25.795 1.00 0.00 O1- ATOM 0 H ARG B 66 21.536 26.075 23.966 1.00 0.00 H new ATOM 0 HA ARG B 66 21.427 27.968 26.188 1.00 0.00 H new ATOM 0 HB2 ARG B 66 21.333 24.929 26.244 1.00 0.00 H new ATOM 0 HB3 ARG B 66 20.819 26.034 27.503 1.00 0.00 H new ATOM 0 HG2 ARG B 66 19.463 25.578 24.816 1.00 0.00 H new ATOM 0 HG3 ARG B 66 18.870 25.080 26.388 1.00 0.00 H new ATOM 0 HD2 ARG B 66 18.320 27.316 27.026 1.00 0.00 H new ATOM 0 HD3 ARG B 66 19.324 28.020 25.775 1.00 0.00 H new ATOM 0 HE ARG B 66 17.395 26.415 24.471 1.00 0.00 H new ATOM 0 HH11 ARG B 66 15.766 27.251 23.389 1.00 0.00 H new ATOM 0 HH12 ARG B 66 15.007 28.760 23.905 1.00 0.00 H new ATOM 0 HH21 ARG B 66 17.199 29.299 26.526 1.00 0.00 H new ATOM 0 HH22 ARG B 66 15.794 29.889 25.632 1.00 0.00 H new TER 2088 ARG B 66