USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.0372) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.56! USER MOD Single : A 9 LYS NZ :NH3+ -159:sc= 0.318 (180deg=-0.332) USER MOD Single : A 11 MET CE :methyl -157:sc= -1.77 (180deg=-3.58!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= -4.7! (180deg=-5.49!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot -130:sc= -1.67 USER MOD Single : A 37 HIS : no HD1:sc= -4.86! C(o=-4.9!,f=-7.3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -6.92! C(o=-6.9!,f=-5.3!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -172:sc= -0.402 USER MOD Single : A 79 ASN : amide:sc= -3.17! K(o=-3.2!,f=-0.053) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 163:sc= -0.0848 (180deg=-0.497) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.098 17.952 6.638 1.00 0.00 N ATOM 2 CA MET A 1 10.936 17.075 6.933 1.00 0.00 C ATOM 3 C MET A 1 9.694 17.895 7.269 1.00 0.00 C ATOM 4 O MET A 1 9.772 18.897 7.981 1.00 0.00 O ATOM 5 CB MET A 1 11.300 16.168 8.108 1.00 0.00 C ATOM 6 CG MET A 1 10.934 14.710 7.887 1.00 0.00 C ATOM 7 SD MET A 1 12.377 13.662 7.620 1.00 0.00 S ATOM 8 CE MET A 1 12.010 12.989 6.001 1.00 0.00 C ATOM 0 H1 MET A 1 12.927 17.366 6.413 1.00 0.00 H new ATOM 0 H2 MET A 1 11.875 18.562 5.826 1.00 0.00 H new ATOM 0 H3 MET A 1 12.307 18.543 7.468 1.00 0.00 H new ATOM 0 HA MET A 1 10.706 16.478 6.050 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.372 16.241 8.294 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.796 16.529 9.004 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.379 14.344 8.751 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.270 14.633 7.026 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.885 12.463 5.619 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.174 12.294 6.077 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.748 13.799 5.321 1.00 0.00 H new ATOM 20 N GLY A 2 8.554 17.462 6.745 1.00 0.00 N ATOM 21 CA GLY A 2 7.302 18.160 6.987 1.00 0.00 C ATOM 22 C GLY A 2 6.168 17.576 6.169 1.00 0.00 C ATOM 23 O GLY A 2 5.040 18.068 6.210 1.00 0.00 O ATOM 0 H GLY A 2 8.473 16.635 6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 2 7.053 18.104 8.047 1.00 0.00 H new ATOM 0 HA3 GLY A 2 7.421 19.216 6.743 1.00 0.00 H new ATOM 27 N ASP A 3 6.494 16.559 5.377 1.00 0.00 N ATOM 28 CA ASP A 3 5.514 15.897 4.523 1.00 0.00 C ATOM 29 C ASP A 3 4.845 14.730 5.242 1.00 0.00 C ATOM 30 O ASP A 3 5.399 14.171 6.186 1.00 0.00 O ATOM 31 CB ASP A 3 6.185 15.397 3.240 1.00 0.00 C ATOM 32 CG ASP A 3 6.392 16.505 2.225 1.00 0.00 C ATOM 33 OD1 ASP A 3 5.663 17.517 2.292 1.00 0.00 O ATOM 34 OD2 ASP A 3 7.283 16.360 1.361 1.00 0.00 O ATOM 0 H ASP A 3 7.436 16.174 5.309 1.00 0.00 H new ATOM 0 HA ASP A 3 4.745 16.628 4.272 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.148 14.950 3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.574 14.611 2.796 1.00 0.00 H new ATOM 39 N VAL A 4 3.652 14.368 4.783 1.00 0.00 N ATOM 40 CA VAL A 4 2.920 13.242 5.353 1.00 0.00 C ATOM 41 C VAL A 4 3.063 12.002 4.472 1.00 0.00 C ATOM 42 O VAL A 4 2.821 12.059 3.268 1.00 0.00 O ATOM 43 CB VAL A 4 1.422 13.562 5.532 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.957 13.160 6.924 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.146 15.037 5.276 1.00 0.00 C ATOM 0 H VAL A 4 3.170 14.838 4.017 1.00 0.00 H new ATOM 0 HA VAL A 4 3.353 13.049 6.334 1.00 0.00 H new ATOM 0 HB VAL A 4 0.859 12.984 4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.102 13.392 7.035 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.111 12.090 7.064 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.529 13.710 7.672 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.083 15.237 5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.719 15.642 5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.438 15.290 4.257 1.00 0.00 H new ATOM 55 N VAL A 5 3.450 10.883 5.077 1.00 0.00 N ATOM 56 CA VAL A 5 3.617 9.636 4.336 1.00 0.00 C ATOM 57 C VAL A 5 2.795 8.510 4.964 1.00 0.00 C ATOM 58 O VAL A 5 3.025 8.132 6.109 1.00 0.00 O ATOM 59 CB VAL A 5 5.101 9.210 4.278 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.236 7.731 3.933 1.00 0.00 C ATOM 61 CG2 VAL A 5 5.860 10.065 3.275 1.00 0.00 C ATOM 0 H VAL A 5 3.653 10.813 6.074 1.00 0.00 H new ATOM 0 HA VAL A 5 3.262 9.818 3.322 1.00 0.00 H new ATOM 0 HB VAL A 5 5.535 9.364 5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.291 7.460 3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.732 7.133 4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.781 7.541 2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.904 9.752 3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.418 9.945 2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.803 11.112 3.573 1.00 0.00 H new ATOM 71 N ALA A 6 1.848 7.969 4.201 1.00 0.00 N ATOM 72 CA ALA A 6 1.025 6.863 4.680 1.00 0.00 C ATOM 73 C ALA A 6 1.622 5.536 4.230 1.00 0.00 C ATOM 74 O ALA A 6 2.550 5.517 3.425 1.00 0.00 O ATOM 75 CB ALA A 6 -0.404 7.004 4.179 1.00 0.00 C ATOM 0 H ALA A 6 1.633 8.277 3.253 1.00 0.00 H new ATOM 0 HA ALA A 6 1.006 6.887 5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.002 6.170 4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.826 7.941 4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.409 7.002 3.089 1.00 0.00 H new ATOM 81 N THR A 7 1.108 4.429 4.760 1.00 0.00 N ATOM 82 CA THR A 7 1.621 3.115 4.385 1.00 0.00 C ATOM 83 C THR A 7 0.511 2.070 4.301 1.00 0.00 C ATOM 84 O THR A 7 -0.311 1.920 5.218 1.00 0.00 O ATOM 85 CB THR A 7 2.704 2.663 5.358 1.00 0.00 C ATOM 86 OG1 THR A 7 3.634 3.707 5.594 1.00 0.00 O ATOM 87 CG2 THR A 7 3.477 1.459 4.867 1.00 0.00 C ATOM 0 H THR A 7 0.348 4.414 5.440 1.00 0.00 H new ATOM 0 HA THR A 7 2.057 3.211 3.390 1.00 0.00 H new ATOM 0 HB THR A 7 2.179 2.391 6.274 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.320 3.398 6.222 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.233 1.187 5.604 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.794 0.622 4.722 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.962 1.699 3.921 1.00 0.00 H new ATOM 95 N ILE A 8 0.531 1.331 3.192 1.00 0.00 N ATOM 96 CA ILE A 8 -0.467 0.310 2.898 1.00 0.00 C ATOM 97 C ILE A 8 0.197 -1.057 2.675 1.00 0.00 C ATOM 98 O ILE A 8 0.878 -1.263 1.672 1.00 0.00 O ATOM 99 CB ILE A 8 -1.255 0.709 1.632 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.593 2.206 1.657 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.514 -0.116 1.503 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.643 2.586 2.684 1.00 0.00 C ATOM 0 H ILE A 8 1.245 1.427 2.470 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.143 0.233 3.749 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.627 0.512 0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.682 2.770 1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.942 2.506 0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.054 0.182 0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.252 -1.172 1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.146 0.046 2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.825 3.660 2.638 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.569 2.052 2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.290 2.320 3.680 1.00 0.00 H new ATOM 114 N LYS A 9 0.042 -1.970 3.639 1.00 0.00 N ATOM 115 CA LYS A 9 0.673 -3.297 3.560 1.00 0.00 C ATOM 116 C LYS A 9 -0.284 -4.364 3.031 1.00 0.00 C ATOM 117 O LYS A 9 -1.032 -4.971 3.793 1.00 0.00 O ATOM 118 CB LYS A 9 1.193 -3.722 4.929 1.00 0.00 C ATOM 119 CG LYS A 9 1.343 -2.577 5.920 1.00 0.00 C ATOM 120 CD LYS A 9 2.797 -2.202 6.133 1.00 0.00 C ATOM 121 CE LYS A 9 3.501 -3.194 7.044 1.00 0.00 C ATOM 122 NZ LYS A 9 2.855 -3.275 8.382 1.00 0.00 N ATOM 0 H LYS A 9 -0.512 -1.818 4.482 1.00 0.00 H new ATOM 0 HA LYS A 9 1.502 -3.210 2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.515 -4.465 5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.160 -4.208 4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.793 -1.708 5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.898 -2.861 6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.308 -2.164 5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.857 -1.203 6.566 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.497 -4.180 6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.544 -2.901 7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.531 -3.661 9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.559 -2.324 8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.022 -3.896 8.328 1.00 0.00 H new ATOM 136 N VAL A 10 -0.225 -4.619 1.734 1.00 0.00 N ATOM 137 CA VAL A 10 -1.125 -5.586 1.098 1.00 0.00 C ATOM 138 C VAL A 10 -0.492 -6.977 0.993 1.00 0.00 C ATOM 139 O VAL A 10 0.679 -7.111 0.644 1.00 0.00 O ATOM 140 CB VAL A 10 -1.577 -5.090 -0.304 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.126 -3.653 -0.528 1.00 0.00 C ATOM 142 CG2 VAL A 10 -1.077 -5.992 -1.427 1.00 0.00 C ATOM 0 H VAL A 10 0.434 -4.174 1.095 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.003 -5.670 1.738 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.666 -5.129 -0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.450 -3.320 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.566 -3.011 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.039 -3.599 -0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.419 -5.603 -2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.013 -6.019 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.466 -7.000 -1.285 1.00 0.00 H new ATOM 152 N MET A 11 -1.279 -8.013 1.304 1.00 0.00 N ATOM 153 CA MET A 11 -0.791 -9.391 1.231 1.00 0.00 C ATOM 154 C MET A 11 -1.908 -10.371 0.838 1.00 0.00 C ATOM 155 O MET A 11 -2.917 -10.503 1.541 1.00 0.00 O ATOM 156 CB MET A 11 -0.136 -9.800 2.566 1.00 0.00 C ATOM 157 CG MET A 11 -0.759 -11.011 3.251 1.00 0.00 C ATOM 158 SD MET A 11 0.369 -12.413 3.348 1.00 0.00 S ATOM 159 CE MET A 11 -0.773 -13.741 3.723 1.00 0.00 C ATOM 0 H MET A 11 -2.249 -7.923 1.606 1.00 0.00 H new ATOM 0 HA MET A 11 -0.036 -9.437 0.447 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.919 -10.007 2.386 1.00 0.00 H new ATOM 0 HB3 MET A 11 -0.182 -8.952 3.250 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.073 -10.732 4.257 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.656 -11.309 2.708 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.236 -14.557 4.206 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.551 -13.374 4.392 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.228 -14.101 2.800 1.00 0.00 H new ATOM 169 N PRO A 12 -1.720 -11.100 -0.283 1.00 0.00 N ATOM 170 CA PRO A 12 -2.682 -12.096 -0.774 1.00 0.00 C ATOM 171 C PRO A 12 -2.704 -13.347 0.100 1.00 0.00 C ATOM 172 O PRO A 12 -1.692 -14.032 0.249 1.00 0.00 O ATOM 173 CB PRO A 12 -2.171 -12.436 -2.186 1.00 0.00 C ATOM 174 CG PRO A 12 -1.190 -11.361 -2.505 1.00 0.00 C ATOM 175 CD PRO A 12 -0.574 -10.989 -1.188 1.00 0.00 C ATOM 0 HA PRO A 12 -3.703 -11.715 -0.763 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.702 -13.420 -2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.987 -12.454 -2.908 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.435 -11.713 -3.208 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.681 -10.504 -2.967 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.235 -11.664 -0.909 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.158 -9.982 -1.200 1.00 0.00 H new ATOM 183 N GLU A 13 -3.861 -13.621 0.688 1.00 0.00 N ATOM 184 CA GLU A 13 -4.033 -14.779 1.557 1.00 0.00 C ATOM 185 C GLU A 13 -3.662 -16.067 0.835 1.00 0.00 C ATOM 186 O GLU A 13 -3.256 -17.047 1.460 1.00 0.00 O ATOM 187 CB GLU A 13 -5.478 -14.860 2.054 1.00 0.00 C ATOM 188 CG GLU A 13 -5.820 -13.818 3.107 1.00 0.00 C ATOM 189 CD GLU A 13 -5.774 -14.374 4.516 1.00 0.00 C ATOM 190 OE1 GLU A 13 -6.669 -15.169 4.871 1.00 0.00 O ATOM 191 OE2 GLU A 13 -4.842 -14.014 5.267 1.00 0.00 O ATOM 0 H GLU A 13 -4.701 -13.052 0.578 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.366 -14.659 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.152 -14.742 1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.656 -15.853 2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.123 -12.984 3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.816 -13.421 2.910 1.00 0.00 H new ATOM 198 N SER A 14 -3.823 -16.065 -0.483 1.00 0.00 N ATOM 199 CA SER A 14 -3.511 -17.235 -1.291 1.00 0.00 C ATOM 200 C SER A 14 -2.007 -17.374 -1.498 1.00 0.00 C ATOM 201 O SER A 14 -1.284 -16.379 -1.545 1.00 0.00 O ATOM 202 CB SER A 14 -4.215 -17.144 -2.647 1.00 0.00 C ATOM 203 OG SER A 14 -5.393 -17.932 -2.666 1.00 0.00 O ATOM 0 H SER A 14 -4.168 -15.265 -1.014 1.00 0.00 H new ATOM 0 HA SER A 14 -3.868 -18.117 -0.758 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.466 -16.105 -2.861 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.539 -17.477 -3.434 1.00 0.00 H new ATOM 0 HG SER A 14 -5.824 -17.855 -3.543 1.00 0.00 H new ATOM 209 N PRO A 15 -1.513 -18.619 -1.632 1.00 0.00 N ATOM 210 CA PRO A 15 -0.087 -18.879 -1.848 1.00 0.00 C ATOM 211 C PRO A 15 0.390 -18.350 -3.195 1.00 0.00 C ATOM 212 O PRO A 15 1.585 -18.370 -3.495 1.00 0.00 O ATOM 213 CB PRO A 15 0.013 -20.407 -1.806 1.00 0.00 C ATOM 214 CG PRO A 15 -1.355 -20.889 -2.148 1.00 0.00 C ATOM 215 CD PRO A 15 -2.303 -19.863 -1.596 1.00 0.00 C ATOM 0 HA PRO A 15 0.537 -18.383 -1.104 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.751 -20.775 -2.519 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.320 -20.756 -0.820 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.475 -20.991 -3.227 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.544 -21.870 -1.712 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.207 -19.784 -2.200 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.618 -20.110 -0.582 1.00 0.00 H new ATOM 223 N ASP A 16 -0.556 -17.896 -4.011 1.00 0.00 N ATOM 224 CA ASP A 16 -0.240 -17.351 -5.324 1.00 0.00 C ATOM 225 C ASP A 16 -0.067 -15.838 -5.252 1.00 0.00 C ATOM 226 O ASP A 16 -0.450 -15.115 -6.172 1.00 0.00 O ATOM 227 CB ASP A 16 -1.343 -17.706 -6.325 1.00 0.00 C ATOM 228 CG ASP A 16 -0.881 -18.706 -7.366 1.00 0.00 C ATOM 229 OD1 ASP A 16 0.282 -18.606 -7.811 1.00 0.00 O ATOM 230 OD2 ASP A 16 -1.683 -19.587 -7.739 1.00 0.00 O ATOM 0 H ASP A 16 -1.550 -17.895 -3.784 1.00 0.00 H new ATOM 0 HA ASP A 16 0.699 -17.791 -5.660 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.199 -18.115 -5.788 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.683 -16.798 -6.823 1.00 0.00 H new ATOM 235 N VAL A 17 0.502 -15.365 -4.148 1.00 0.00 N ATOM 236 CA VAL A 17 0.721 -13.937 -3.956 1.00 0.00 C ATOM 237 C VAL A 17 1.765 -13.425 -4.956 1.00 0.00 C ATOM 238 O VAL A 17 2.973 -13.468 -4.713 1.00 0.00 O ATOM 239 CB VAL A 17 1.101 -13.589 -2.486 1.00 0.00 C ATOM 240 CG1 VAL A 17 1.566 -14.819 -1.734 1.00 0.00 C ATOM 241 CG2 VAL A 17 2.133 -12.468 -2.388 1.00 0.00 C ATOM 0 H VAL A 17 0.819 -15.949 -3.374 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.220 -13.423 -4.150 1.00 0.00 H new ATOM 0 HB VAL A 17 0.191 -13.218 -2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.824 -14.544 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.767 -15.560 -1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.442 -15.239 -2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.357 -12.271 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.045 -12.767 -2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.734 -11.565 -2.850 1.00 0.00 H new ATOM 251 N ASP A 18 1.276 -13.042 -6.130 1.00 0.00 N ATOM 252 CA ASP A 18 2.127 -12.515 -7.193 1.00 0.00 C ATOM 253 C ASP A 18 2.685 -11.162 -6.799 1.00 0.00 C ATOM 254 O ASP A 18 1.965 -10.170 -6.755 1.00 0.00 O ATOM 255 CB ASP A 18 1.337 -12.402 -8.495 1.00 0.00 C ATOM 256 CG ASP A 18 1.223 -13.730 -9.219 1.00 0.00 C ATOM 257 OD1 ASP A 18 2.232 -14.463 -9.275 1.00 0.00 O ATOM 258 OD2 ASP A 18 0.126 -14.034 -9.731 1.00 0.00 O ATOM 0 H ASP A 18 0.286 -13.087 -6.372 1.00 0.00 H new ATOM 0 HA ASP A 18 2.958 -13.203 -7.347 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.338 -12.022 -8.279 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.820 -11.675 -9.148 1.00 0.00 H new ATOM 263 N LEU A 19 3.971 -11.142 -6.487 1.00 0.00 N ATOM 264 CA LEU A 19 4.643 -9.926 -6.061 1.00 0.00 C ATOM 265 C LEU A 19 4.585 -8.848 -7.132 1.00 0.00 C ATOM 266 O LEU A 19 4.130 -7.733 -6.877 1.00 0.00 O ATOM 267 CB LEU A 19 6.108 -10.242 -5.734 1.00 0.00 C ATOM 268 CG LEU A 19 6.674 -9.574 -4.479 1.00 0.00 C ATOM 269 CD1 LEU A 19 6.599 -8.059 -4.599 1.00 0.00 C ATOM 270 CD2 LEU A 19 5.939 -10.059 -3.237 1.00 0.00 C ATOM 0 H LEU A 19 4.575 -11.963 -6.522 1.00 0.00 H new ATOM 0 HA LEU A 19 4.130 -9.549 -5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.210 -11.322 -5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.721 -9.948 -6.586 1.00 0.00 H new ATOM 0 HG LEU A 19 7.723 -9.854 -4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.006 -7.602 -3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.177 -7.733 -5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.560 -7.755 -4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.355 -9.573 -2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.881 -9.813 -3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.054 -11.139 -3.145 1.00 0.00 H new ATOM 282 N GLU A 20 5.045 -9.183 -8.332 1.00 0.00 N ATOM 283 CA GLU A 20 5.089 -8.214 -9.420 1.00 0.00 C ATOM 284 C GLU A 20 3.696 -7.894 -9.929 1.00 0.00 C ATOM 285 O GLU A 20 3.419 -6.762 -10.326 1.00 0.00 O ATOM 286 CB GLU A 20 5.959 -8.720 -10.560 1.00 0.00 C ATOM 287 CG GLU A 20 5.368 -9.912 -11.285 1.00 0.00 C ATOM 288 CD GLU A 20 6.072 -11.211 -10.948 1.00 0.00 C ATOM 289 OE1 GLU A 20 6.351 -11.444 -9.753 1.00 0.00 O ATOM 290 OE2 GLU A 20 6.348 -11.996 -11.880 1.00 0.00 O ATOM 0 H GLU A 20 5.390 -10.111 -8.575 1.00 0.00 H new ATOM 0 HA GLU A 20 5.527 -7.297 -9.025 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.116 -7.911 -11.274 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.938 -8.992 -10.166 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.312 -10.000 -11.030 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.424 -9.742 -12.360 1.00 0.00 H new ATOM 297 N ALA A 21 2.813 -8.883 -9.919 1.00 0.00 N ATOM 298 CA ALA A 21 1.442 -8.643 -10.330 1.00 0.00 C ATOM 299 C ALA A 21 0.770 -7.743 -9.311 1.00 0.00 C ATOM 300 O ALA A 21 -0.023 -6.867 -9.657 1.00 0.00 O ATOM 301 CB ALA A 21 0.678 -9.945 -10.501 1.00 0.00 C ATOM 0 H ALA A 21 3.018 -9.841 -9.636 1.00 0.00 H new ATOM 0 HA ALA A 21 1.443 -8.149 -11.301 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.345 -9.729 -10.809 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.165 -10.555 -11.262 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.665 -10.486 -9.555 1.00 0.00 H new ATOM 307 N LEU A 22 1.137 -7.941 -8.050 1.00 0.00 N ATOM 308 CA LEU A 22 0.643 -7.103 -6.973 1.00 0.00 C ATOM 309 C LEU A 22 1.170 -5.691 -7.156 1.00 0.00 C ATOM 310 O LEU A 22 0.484 -4.713 -6.869 1.00 0.00 O ATOM 311 CB LEU A 22 1.080 -7.653 -5.606 1.00 0.00 C ATOM 312 CG LEU A 22 0.129 -7.361 -4.431 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.302 -7.143 -4.907 1.00 0.00 C ATOM 314 CD2 LEU A 22 0.180 -8.489 -3.412 1.00 0.00 C ATOM 0 H LEU A 22 1.777 -8.677 -7.752 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.447 -7.097 -7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.200 -8.733 -5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.060 -7.241 -5.366 1.00 0.00 H new ATOM 0 HG LEU A 22 0.466 -6.439 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.944 -6.940 -4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.332 -6.296 -5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.655 -8.037 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.498 -8.266 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.121 -9.423 -3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.196 -8.588 -3.029 1.00 0.00 H new ATOM 326 N LYS A 23 2.397 -5.609 -7.657 1.00 0.00 N ATOM 327 CA LYS A 23 3.041 -4.332 -7.925 1.00 0.00 C ATOM 328 C LYS A 23 2.175 -3.497 -8.851 1.00 0.00 C ATOM 329 O LYS A 23 1.944 -2.313 -8.608 1.00 0.00 O ATOM 330 CB LYS A 23 4.411 -4.566 -8.573 1.00 0.00 C ATOM 331 CG LYS A 23 5.594 -4.288 -7.659 1.00 0.00 C ATOM 332 CD LYS A 23 6.177 -5.567 -7.084 1.00 0.00 C ATOM 333 CE LYS A 23 7.619 -5.759 -7.524 1.00 0.00 C ATOM 334 NZ LYS A 23 8.374 -6.648 -6.598 1.00 0.00 N ATOM 0 H LYS A 23 2.969 -6.421 -7.887 1.00 0.00 H new ATOM 0 HA LYS A 23 3.174 -3.799 -6.983 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.466 -5.600 -8.914 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.494 -3.934 -9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.365 -3.755 -8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.279 -3.635 -6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.127 -5.536 -5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.579 -6.420 -7.406 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.638 -6.183 -8.528 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.113 -4.789 -7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.388 -6.604 -6.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.224 -6.335 -5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.037 -7.626 -6.704 1.00 0.00 H new ATOM 348 N LYS A 24 1.695 -4.131 -9.914 1.00 0.00 N ATOM 349 CA LYS A 24 0.842 -3.456 -10.880 1.00 0.00 C ATOM 350 C LYS A 24 -0.492 -3.075 -10.251 1.00 0.00 C ATOM 351 O LYS A 24 -1.004 -1.977 -10.475 1.00 0.00 O ATOM 352 CB LYS A 24 0.607 -4.353 -12.098 1.00 0.00 C ATOM 353 CG LYS A 24 1.862 -5.057 -12.589 1.00 0.00 C ATOM 354 CD LYS A 24 1.647 -5.699 -13.950 1.00 0.00 C ATOM 355 CE LYS A 24 1.313 -7.176 -13.824 1.00 0.00 C ATOM 356 NZ LYS A 24 0.162 -7.563 -14.685 1.00 0.00 N ATOM 0 H LYS A 24 1.883 -5.111 -10.127 1.00 0.00 H new ATOM 0 HA LYS A 24 1.347 -2.545 -11.201 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.145 -5.102 -11.847 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.198 -3.750 -12.909 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.682 -4.341 -12.649 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.157 -5.820 -11.869 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.839 -5.186 -14.472 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.545 -5.579 -14.556 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.186 -7.770 -14.097 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.082 -7.408 -12.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.032 -8.578 -14.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.678 -7.016 -14.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.391 -7.366 -15.680 1.00 0.00 H new ATOM 370 N GLU A 25 -1.069 -4.001 -9.491 1.00 0.00 N ATOM 371 CA GLU A 25 -2.355 -3.763 -8.846 1.00 0.00 C ATOM 372 C GLU A 25 -2.234 -2.697 -7.767 1.00 0.00 C ATOM 373 O GLU A 25 -3.204 -2.025 -7.423 1.00 0.00 O ATOM 374 CB GLU A 25 -2.891 -5.063 -8.242 1.00 0.00 C ATOM 375 CG GLU A 25 -3.069 -6.176 -9.263 1.00 0.00 C ATOM 376 CD GLU A 25 -3.635 -7.443 -8.653 1.00 0.00 C ATOM 377 OE1 GLU A 25 -2.994 -7.999 -7.737 1.00 0.00 O ATOM 378 OE2 GLU A 25 -4.721 -7.879 -9.089 1.00 0.00 O ATOM 0 H GLU A 25 -0.667 -4.920 -9.307 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.054 -3.406 -9.602 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.208 -5.401 -7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.849 -4.864 -7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.732 -5.832 -10.057 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.107 -6.398 -9.724 1.00 0.00 H new ATOM 385 N ILE A 26 -1.044 -2.576 -7.208 1.00 0.00 N ATOM 386 CA ILE A 26 -0.792 -1.603 -6.162 1.00 0.00 C ATOM 387 C ILE A 26 -0.986 -0.184 -6.680 1.00 0.00 C ATOM 388 O ILE A 26 -1.558 0.662 -5.996 1.00 0.00 O ATOM 389 CB ILE A 26 0.630 -1.767 -5.580 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.587 -2.685 -4.358 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.231 -0.418 -5.207 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.838 -3.514 -4.181 1.00 0.00 C ATOM 0 H ILE A 26 -0.234 -3.142 -7.462 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.513 -1.783 -5.365 1.00 0.00 H new ATOM 0 HB ILE A 26 1.264 -2.215 -6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.432 -2.080 -3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.271 -3.351 -4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.232 -0.565 -4.800 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.289 0.212 -6.094 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.603 0.066 -4.459 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.737 -4.141 -3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.983 -4.145 -5.058 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.698 -2.855 -4.063 1.00 0.00 H new ATOM 404 N GLN A 27 -0.479 0.075 -7.880 1.00 0.00 N ATOM 405 CA GLN A 27 -0.580 1.398 -8.478 1.00 0.00 C ATOM 406 C GLN A 27 -2.033 1.790 -8.709 1.00 0.00 C ATOM 407 O GLN A 27 -2.395 2.960 -8.581 1.00 0.00 O ATOM 408 CB GLN A 27 0.189 1.446 -9.801 1.00 0.00 C ATOM 409 CG GLN A 27 1.611 0.921 -9.699 1.00 0.00 C ATOM 410 CD GLN A 27 2.607 1.788 -10.445 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.557 1.896 -11.670 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.518 2.413 -9.707 1.00 0.00 N ATOM 0 H GLN A 27 0.005 -0.614 -8.456 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.140 2.112 -7.782 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.352 0.863 -10.547 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.216 2.475 -10.159 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.899 0.864 -8.649 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.649 -0.094 -10.096 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.522 2.295 -8.694 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.213 3.011 -10.154 1.00 0.00 H new ATOM 421 N GLU A 28 -2.853 0.820 -9.100 1.00 0.00 N ATOM 422 CA GLU A 28 -4.259 1.092 -9.375 1.00 0.00 C ATOM 423 C GLU A 28 -5.060 1.228 -8.089 1.00 0.00 C ATOM 424 O GLU A 28 -6.134 1.831 -8.076 1.00 0.00 O ATOM 425 CB GLU A 28 -4.854 0.003 -10.257 1.00 0.00 C ATOM 426 CG GLU A 28 -4.987 -1.333 -9.565 1.00 0.00 C ATOM 427 CD GLU A 28 -6.397 -1.606 -9.078 1.00 0.00 C ATOM 428 OE1 GLU A 28 -7.352 -1.263 -9.805 1.00 0.00 O ATOM 429 OE2 GLU A 28 -6.544 -2.162 -7.969 1.00 0.00 O ATOM 0 H GLU A 28 -2.572 -0.152 -9.233 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.314 2.042 -9.907 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.837 0.323 -10.601 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.230 -0.117 -11.142 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.685 -2.124 -10.252 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.302 -1.368 -8.718 1.00 0.00 H new ATOM 436 N ARG A 29 -4.545 0.649 -7.013 1.00 0.00 N ATOM 437 CA ARG A 29 -5.226 0.702 -5.727 1.00 0.00 C ATOM 438 C ARG A 29 -4.780 1.918 -4.919 1.00 0.00 C ATOM 439 O ARG A 29 -5.389 2.256 -3.905 1.00 0.00 O ATOM 440 CB ARG A 29 -4.990 -0.595 -4.943 1.00 0.00 C ATOM 441 CG ARG A 29 -3.758 -0.580 -4.052 1.00 0.00 C ATOM 442 CD ARG A 29 -3.908 -1.557 -2.894 1.00 0.00 C ATOM 443 NE ARG A 29 -4.333 -2.880 -3.343 1.00 0.00 N ATOM 444 CZ ARG A 29 -3.490 -3.874 -3.605 1.00 0.00 C ATOM 445 NH1 ARG A 29 -2.184 -3.693 -3.471 1.00 0.00 N ATOM 446 NH2 ARG A 29 -3.953 -5.050 -4.002 1.00 0.00 N ATOM 0 H ARG A 29 -3.662 0.139 -7.005 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.296 0.802 -5.911 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.866 -0.796 -4.326 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.901 -1.420 -5.649 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.877 -0.840 -4.639 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.598 0.426 -3.665 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.958 -1.642 -2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.634 -1.166 -2.182 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.332 -3.051 -3.462 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.823 -2.789 -3.166 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.540 -4.458 -3.673 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.957 -5.194 -4.107 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.305 -5.812 -4.203 1.00 0.00 H new ATOM 460 N ILE A 30 -3.710 2.567 -5.372 1.00 0.00 N ATOM 461 CA ILE A 30 -3.202 3.759 -4.698 1.00 0.00 C ATOM 462 C ILE A 30 -4.249 4.874 -4.700 1.00 0.00 C ATOM 463 O ILE A 30 -4.929 5.088 -5.704 1.00 0.00 O ATOM 464 CB ILE A 30 -1.904 4.270 -5.362 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.735 3.345 -5.010 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.601 5.710 -4.949 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.234 3.496 -3.587 1.00 0.00 C ATOM 0 H ILE A 30 -3.180 2.289 -6.198 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.980 3.478 -3.668 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.045 4.261 -6.443 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.043 2.311 -5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.089 3.540 -5.697 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.682 6.041 -5.432 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.424 6.357 -5.253 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.480 5.760 -3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.593 2.807 -3.418 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.107 4.519 -3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.042 3.271 -2.891 1.00 0.00 H new ATOM 479 N PRO A 31 -4.387 5.607 -3.578 1.00 0.00 N ATOM 480 CA PRO A 31 -5.343 6.714 -3.463 1.00 0.00 C ATOM 481 C PRO A 31 -5.276 7.668 -4.653 1.00 0.00 C ATOM 482 O PRO A 31 -4.256 8.315 -4.887 1.00 0.00 O ATOM 483 CB PRO A 31 -4.917 7.435 -2.173 1.00 0.00 C ATOM 484 CG PRO A 31 -3.608 6.828 -1.784 1.00 0.00 C ATOM 485 CD PRO A 31 -3.625 5.437 -2.336 1.00 0.00 C ATOM 0 HA PRO A 31 -6.372 6.355 -3.443 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.817 8.508 -2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.660 7.302 -1.386 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.775 7.400 -2.192 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.488 6.818 -0.701 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.619 5.061 -2.523 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.106 4.735 -1.656 1.00 0.00 H new ATOM 493 N GLU A 32 -6.371 7.735 -5.407 1.00 0.00 N ATOM 494 CA GLU A 32 -6.456 8.601 -6.583 1.00 0.00 C ATOM 495 C GLU A 32 -6.239 10.075 -6.230 1.00 0.00 C ATOM 496 O GLU A 32 -6.293 10.940 -7.106 1.00 0.00 O ATOM 497 CB GLU A 32 -7.818 8.433 -7.260 1.00 0.00 C ATOM 498 CG GLU A 32 -7.800 7.465 -8.433 1.00 0.00 C ATOM 499 CD GLU A 32 -9.189 6.999 -8.824 1.00 0.00 C ATOM 500 OE1 GLU A 32 -9.675 6.014 -8.230 1.00 0.00 O ATOM 501 OE2 GLU A 32 -9.791 7.621 -9.726 1.00 0.00 O ATOM 0 H GLU A 32 -7.218 7.196 -5.223 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.661 8.300 -7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.540 8.083 -6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.164 9.406 -7.608 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.327 7.946 -9.289 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.189 6.600 -8.176 1.00 0.00 H new ATOM 508 N GLY A 33 -5.996 10.359 -4.954 1.00 0.00 N ATOM 509 CA GLY A 33 -5.803 11.732 -4.524 1.00 0.00 C ATOM 510 C GLY A 33 -4.387 12.228 -4.743 1.00 0.00 C ATOM 511 O GLY A 33 -4.182 13.354 -5.197 1.00 0.00 O ATOM 0 H GLY A 33 -5.929 9.664 -4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.496 12.377 -5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.051 11.814 -3.466 1.00 0.00 H new ATOM 515 N THR A 34 -3.404 11.392 -4.420 1.00 0.00 N ATOM 516 CA THR A 34 -2.003 11.769 -4.578 1.00 0.00 C ATOM 517 C THR A 34 -1.221 10.692 -5.329 1.00 0.00 C ATOM 518 O THR A 34 -1.715 10.118 -6.300 1.00 0.00 O ATOM 519 CB THR A 34 -1.370 12.026 -3.209 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.351 12.433 -2.272 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.290 13.087 -3.236 1.00 0.00 C ATOM 0 H THR A 34 -3.551 10.453 -4.049 1.00 0.00 H new ATOM 0 HA THR A 34 -1.963 12.685 -5.167 1.00 0.00 H new ATOM 0 HB THR A 34 -0.916 11.079 -2.919 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.048 13.244 -1.813 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.116 13.219 -2.233 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.507 12.778 -3.912 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.714 14.029 -3.582 1.00 0.00 H new ATOM 529 N GLU A 35 0.001 10.421 -4.874 1.00 0.00 N ATOM 530 CA GLU A 35 0.855 9.428 -5.509 1.00 0.00 C ATOM 531 C GLU A 35 1.525 8.541 -4.468 1.00 0.00 C ATOM 532 O GLU A 35 1.465 8.817 -3.270 1.00 0.00 O ATOM 533 CB GLU A 35 1.918 10.120 -6.363 1.00 0.00 C ATOM 534 CG GLU A 35 2.742 11.142 -5.597 1.00 0.00 C ATOM 535 CD GLU A 35 4.073 11.436 -6.263 1.00 0.00 C ATOM 536 OE1 GLU A 35 4.088 12.202 -7.249 1.00 0.00 O ATOM 537 OE2 GLU A 35 5.101 10.901 -5.796 1.00 0.00 O ATOM 0 H GLU A 35 0.420 10.879 -4.065 1.00 0.00 H new ATOM 0 HA GLU A 35 0.232 8.801 -6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.586 9.366 -6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.432 10.614 -7.204 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.173 12.067 -5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.919 10.776 -4.586 1.00 0.00 H new ATOM 544 N LEU A 36 2.159 7.474 -4.937 1.00 0.00 N ATOM 545 CA LEU A 36 2.835 6.535 -4.047 1.00 0.00 C ATOM 546 C LEU A 36 4.166 7.103 -3.550 1.00 0.00 C ATOM 547 O LEU A 36 4.505 8.253 -3.831 1.00 0.00 O ATOM 548 CB LEU A 36 3.068 5.176 -4.734 1.00 0.00 C ATOM 549 CG LEU A 36 3.240 5.188 -6.262 1.00 0.00 C ATOM 550 CD1 LEU A 36 1.892 5.328 -6.956 1.00 0.00 C ATOM 551 CD2 LEU A 36 4.195 6.287 -6.708 1.00 0.00 C ATOM 0 H LEU A 36 2.220 7.236 -5.927 1.00 0.00 H new ATOM 0 HA LEU A 36 2.180 6.380 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.958 4.723 -4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.227 4.526 -4.493 1.00 0.00 H new ATOM 0 HG LEU A 36 3.678 4.233 -6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.038 5.334 -8.036 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.252 4.489 -6.681 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.419 6.261 -6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.293 6.266 -7.793 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.805 7.256 -6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.172 6.127 -6.253 1.00 0.00 H new ATOM 563 N HIS A 37 4.902 6.289 -2.798 1.00 0.00 N ATOM 564 CA HIS A 37 6.189 6.694 -2.240 1.00 0.00 C ATOM 565 C HIS A 37 7.254 5.644 -2.512 1.00 0.00 C ATOM 566 O HIS A 37 8.116 5.813 -3.374 1.00 0.00 O ATOM 567 CB HIS A 37 6.056 6.890 -0.730 1.00 0.00 C ATOM 568 CG HIS A 37 7.336 7.270 -0.052 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.830 8.552 -0.110 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.181 6.503 0.682 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.954 8.540 0.583 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.207 7.320 1.081 1.00 0.00 N ATOM 0 H HIS A 37 4.626 5.337 -2.559 1.00 0.00 H new ATOM 0 HA HIS A 37 6.487 7.629 -2.715 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.311 7.663 -0.538 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.681 5.968 -0.286 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.067 5.453 0.908 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.588 9.402 0.730 1.00 0.00 H new ATOM 0 HE2 HIS A 37 10.011 7.051 1.649 1.00 0.00 H new ATOM 580 N LYS A 38 7.166 4.552 -1.766 1.00 0.00 N ATOM 581 CA LYS A 38 8.114 3.455 -1.875 1.00 0.00 C ATOM 582 C LYS A 38 7.538 2.209 -1.204 1.00 0.00 C ATOM 583 O LYS A 38 7.050 2.270 -0.075 1.00 0.00 O ATOM 584 CB LYS A 38 9.453 3.856 -1.240 1.00 0.00 C ATOM 585 CG LYS A 38 10.045 2.818 -0.297 1.00 0.00 C ATOM 586 CD LYS A 38 10.749 1.706 -1.059 1.00 0.00 C ATOM 587 CE LYS A 38 11.758 0.981 -0.183 1.00 0.00 C ATOM 588 NZ LYS A 38 13.149 1.447 -0.437 1.00 0.00 N ATOM 0 H LYS A 38 6.436 4.403 -1.069 1.00 0.00 H new ATOM 0 HA LYS A 38 8.292 3.228 -2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.171 4.057 -2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.315 4.788 -0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.751 3.300 0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.253 2.393 0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.011 0.995 -1.431 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.255 2.124 -1.929 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.508 1.139 0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.695 -0.091 -0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.807 0.929 0.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.397 1.273 -1.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.216 2.465 -0.236 1.00 0.00 H new ATOM 602 N ILE A 39 7.556 1.093 -1.924 1.00 0.00 N ATOM 603 CA ILE A 39 6.972 -0.144 -1.424 1.00 0.00 C ATOM 604 C ILE A 39 7.996 -1.024 -0.713 1.00 0.00 C ATOM 605 O ILE A 39 9.196 -0.942 -0.974 1.00 0.00 O ATOM 606 CB ILE A 39 6.317 -0.944 -2.558 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.572 0.006 -3.504 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.377 -1.989 -1.977 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.619 -0.686 -4.453 1.00 0.00 C ATOM 0 H ILE A 39 7.968 1.020 -2.854 1.00 0.00 H new ATOM 0 HA ILE A 39 6.213 0.149 -0.699 1.00 0.00 H new ATOM 0 HB ILE A 39 7.087 -1.460 -3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.014 0.729 -2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.302 0.568 -4.086 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.915 -2.553 -2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.939 -2.668 -1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.602 -1.495 -1.391 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.133 0.056 -5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.172 -1.389 -5.076 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.864 -1.225 -3.881 1.00 0.00 H new ATOM 621 N ASP A 40 7.498 -1.880 0.177 1.00 0.00 N ATOM 622 CA ASP A 40 8.339 -2.782 0.945 1.00 0.00 C ATOM 623 C ASP A 40 8.002 -4.236 0.638 1.00 0.00 C ATOM 624 O ASP A 40 6.859 -4.661 0.786 1.00 0.00 O ATOM 625 CB ASP A 40 8.135 -2.524 2.433 1.00 0.00 C ATOM 626 CG ASP A 40 8.560 -1.128 2.847 1.00 0.00 C ATOM 627 OD1 ASP A 40 7.964 -0.152 2.345 1.00 0.00 O ATOM 628 OD2 ASP A 40 9.487 -1.011 3.675 1.00 0.00 O ATOM 0 H ASP A 40 6.502 -1.964 0.382 1.00 0.00 H new ATOM 0 HA ASP A 40 9.378 -2.599 0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.084 -2.669 2.682 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.702 -3.257 3.006 1.00 0.00 H new ATOM 633 N GLU A 41 8.998 -4.992 0.200 1.00 0.00 N ATOM 634 CA GLU A 41 8.809 -6.406 -0.099 1.00 0.00 C ATOM 635 C GLU A 41 9.043 -7.243 1.153 1.00 0.00 C ATOM 636 O GLU A 41 10.032 -7.968 1.254 1.00 0.00 O ATOM 637 CB GLU A 41 9.755 -6.842 -1.216 1.00 0.00 C ATOM 638 CG GLU A 41 11.157 -6.285 -1.064 1.00 0.00 C ATOM 639 CD GLU A 41 12.187 -7.060 -1.863 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.808 -7.677 -2.881 1.00 0.00 O ATOM 641 OE2 GLU A 41 13.374 -7.050 -1.471 1.00 0.00 O ATOM 0 H GLU A 41 9.946 -4.651 0.043 1.00 0.00 H new ATOM 0 HA GLU A 41 7.783 -6.560 -0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.804 -7.931 -1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.346 -6.523 -2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.166 -5.243 -1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.436 -6.298 -0.010 1.00 0.00 H new ATOM 648 N GLU A 42 8.150 -7.096 2.124 1.00 0.00 N ATOM 649 CA GLU A 42 8.271 -7.809 3.385 1.00 0.00 C ATOM 650 C GLU A 42 7.366 -9.030 3.420 1.00 0.00 C ATOM 651 O GLU A 42 6.302 -9.035 2.815 1.00 0.00 O ATOM 652 CB GLU A 42 7.955 -6.877 4.548 1.00 0.00 C ATOM 653 CG GLU A 42 9.196 -6.335 5.237 1.00 0.00 C ATOM 654 CD GLU A 42 10.400 -6.253 4.317 1.00 0.00 C ATOM 655 OE1 GLU A 42 10.438 -5.336 3.470 1.00 0.00 O ATOM 656 OE2 GLU A 42 11.306 -7.102 4.448 1.00 0.00 O ATOM 0 H GLU A 42 7.334 -6.488 2.060 1.00 0.00 H new ATOM 0 HA GLU A 42 9.300 -8.156 3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.356 -6.042 4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.346 -7.411 5.278 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.980 -5.342 5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.439 -6.971 6.088 1.00 0.00 H new ATOM 663 N PRO A 43 7.785 -10.088 4.133 1.00 0.00 N ATOM 664 CA PRO A 43 7.045 -11.336 4.206 1.00 0.00 C ATOM 665 C PRO A 43 6.089 -11.399 5.386 1.00 0.00 C ATOM 666 O PRO A 43 6.213 -10.643 6.348 1.00 0.00 O ATOM 667 CB PRO A 43 8.153 -12.382 4.348 1.00 0.00 C ATOM 668 CG PRO A 43 9.359 -11.651 4.871 1.00 0.00 C ATOM 669 CD PRO A 43 9.043 -10.172 4.877 1.00 0.00 C ATOM 0 HA PRO A 43 6.403 -11.478 3.337 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.853 -13.176 5.032 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.369 -12.852 3.389 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.605 -11.992 5.877 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.228 -11.852 4.245 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.935 -9.789 5.892 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.832 -9.591 4.399 1.00 0.00 H new ATOM 677 N ILE A 44 5.122 -12.303 5.282 1.00 0.00 N ATOM 678 CA ILE A 44 4.097 -12.459 6.305 1.00 0.00 C ATOM 679 C ILE A 44 3.970 -13.915 6.743 1.00 0.00 C ATOM 680 O ILE A 44 4.539 -14.320 7.756 1.00 0.00 O ATOM 681 CB ILE A 44 2.735 -11.966 5.785 1.00 0.00 C ATOM 682 CG1 ILE A 44 2.937 -10.767 4.850 1.00 0.00 C ATOM 683 CG2 ILE A 44 1.817 -11.606 6.945 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.480 -9.535 5.547 1.00 0.00 C ATOM 0 H ILE A 44 5.027 -12.943 4.493 1.00 0.00 H new ATOM 0 HA ILE A 44 4.398 -11.859 7.163 1.00 0.00 H new ATOM 0 HB ILE A 44 2.259 -12.768 5.221 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.621 -11.052 4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.985 -10.518 4.381 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.859 -11.260 6.557 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.659 -12.485 7.570 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.275 -10.815 7.540 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.596 -8.729 4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.787 -9.224 6.328 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.448 -9.766 5.992 1.00 0.00 H new ATOM 696 N ALA A 45 3.215 -14.694 5.973 1.00 0.00 N ATOM 697 CA ALA A 45 3.017 -16.107 6.271 1.00 0.00 C ATOM 698 C ALA A 45 4.319 -16.886 6.108 1.00 0.00 C ATOM 699 O ALA A 45 5.407 -16.336 6.274 1.00 0.00 O ATOM 700 CB ALA A 45 1.930 -16.682 5.373 1.00 0.00 C ATOM 0 H ALA A 45 2.730 -14.369 5.137 1.00 0.00 H new ATOM 0 HA ALA A 45 2.700 -16.201 7.310 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.789 -17.738 5.603 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.996 -16.146 5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.225 -16.574 4.329 1.00 0.00 H new ATOM 706 N PHE A 46 4.206 -18.168 5.777 1.00 0.00 N ATOM 707 CA PHE A 46 5.380 -19.010 5.588 1.00 0.00 C ATOM 708 C PHE A 46 6.101 -18.646 4.294 1.00 0.00 C ATOM 709 O PHE A 46 7.317 -18.802 4.186 1.00 0.00 O ATOM 710 CB PHE A 46 4.980 -20.488 5.566 1.00 0.00 C ATOM 711 CG PHE A 46 4.878 -21.104 6.932 1.00 0.00 C ATOM 712 CD1 PHE A 46 3.783 -20.848 7.743 1.00 0.00 C ATOM 713 CD2 PHE A 46 5.875 -21.942 7.405 1.00 0.00 C ATOM 714 CE1 PHE A 46 3.687 -21.416 9.000 1.00 0.00 C ATOM 715 CE2 PHE A 46 5.784 -22.513 8.661 1.00 0.00 C ATOM 716 CZ PHE A 46 4.688 -22.248 9.459 1.00 0.00 C ATOM 0 H PHE A 46 3.316 -18.645 5.635 1.00 0.00 H new ATOM 0 HA PHE A 46 6.058 -18.840 6.424 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.020 -20.589 5.059 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.711 -21.045 4.979 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.997 -20.198 7.389 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.734 -22.152 6.785 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.829 -21.209 9.622 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.568 -23.165 9.017 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.614 -22.691 10.441 1.00 0.00 H new ATOM 726 N GLY A 47 5.345 -18.143 3.321 1.00 0.00 N ATOM 727 CA GLY A 47 5.934 -17.763 2.048 1.00 0.00 C ATOM 728 C GLY A 47 5.171 -16.652 1.346 1.00 0.00 C ATOM 729 O GLY A 47 5.496 -16.295 0.212 1.00 0.00 O ATOM 0 H GLY A 47 4.339 -17.992 3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.963 -17.442 2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.973 -18.637 1.397 1.00 0.00 H new ATOM 733 N LEU A 48 4.153 -16.109 2.009 1.00 0.00 N ATOM 734 CA LEU A 48 3.353 -15.033 1.429 1.00 0.00 C ATOM 735 C LEU A 48 3.909 -13.667 1.824 1.00 0.00 C ATOM 736 O LEU A 48 3.750 -13.227 2.962 1.00 0.00 O ATOM 737 CB LEU A 48 1.887 -15.161 1.865 1.00 0.00 C ATOM 738 CG LEU A 48 1.312 -16.586 1.854 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.209 -16.547 1.910 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.773 -17.356 0.624 1.00 0.00 C ATOM 0 H LEU A 48 3.863 -16.395 2.944 1.00 0.00 H new ATOM 0 HA LEU A 48 3.403 -15.119 0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.790 -14.757 2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.277 -14.537 1.212 1.00 0.00 H new ATOM 0 HG LEU A 48 1.685 -17.104 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.600 -17.565 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.527 -16.044 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.591 -16.004 1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.350 -18.360 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.438 -16.839 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.861 -17.420 0.622 1.00 0.00 H new ATOM 752 N VAL A 49 4.553 -12.998 0.870 1.00 0.00 N ATOM 753 CA VAL A 49 5.163 -11.695 1.119 1.00 0.00 C ATOM 754 C VAL A 49 4.210 -10.549 0.785 1.00 0.00 C ATOM 755 O VAL A 49 3.620 -10.510 -0.295 1.00 0.00 O ATOM 756 CB VAL A 49 6.466 -11.529 0.303 1.00 0.00 C ATOM 757 CG1 VAL A 49 6.896 -10.069 0.228 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.572 -12.388 0.895 1.00 0.00 C ATOM 0 H VAL A 49 4.666 -13.338 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 49 5.394 -11.655 2.183 1.00 0.00 H new ATOM 0 HB VAL A 49 6.270 -11.864 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.815 -9.990 -0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.112 -9.483 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.069 -9.688 1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.483 -12.261 0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.756 -12.084 1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.270 -13.435 0.874 1.00 0.00 H new ATOM 768 N ALA A 50 4.105 -9.599 1.709 1.00 0.00 N ATOM 769 CA ALA A 50 3.264 -8.425 1.521 1.00 0.00 C ATOM 770 C ALA A 50 4.081 -7.251 1.007 1.00 0.00 C ATOM 771 O ALA A 50 5.309 -7.248 1.095 1.00 0.00 O ATOM 772 CB ALA A 50 2.591 -8.036 2.824 1.00 0.00 C ATOM 0 H ALA A 50 4.597 -9.622 2.602 1.00 0.00 H new ATOM 0 HA ALA A 50 2.502 -8.678 0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.967 -7.157 2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.971 -8.862 3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.350 -7.810 3.572 1.00 0.00 H new ATOM 778 N LEU A 51 3.390 -6.252 0.478 1.00 0.00 N ATOM 779 CA LEU A 51 4.045 -5.061 -0.033 1.00 0.00 C ATOM 780 C LEU A 51 3.551 -3.823 0.703 1.00 0.00 C ATOM 781 O LEU A 51 2.374 -3.471 0.623 1.00 0.00 O ATOM 782 CB LEU A 51 3.789 -4.920 -1.534 1.00 0.00 C ATOM 783 CG LEU A 51 4.714 -5.755 -2.419 1.00 0.00 C ATOM 784 CD1 LEU A 51 4.466 -7.235 -2.183 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.521 -5.403 -3.885 1.00 0.00 C ATOM 0 H LEU A 51 2.374 -6.244 0.392 1.00 0.00 H new ATOM 0 HA LEU A 51 5.118 -5.158 0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.757 -5.203 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.894 -3.871 -1.810 1.00 0.00 H new ATOM 0 HG LEU A 51 5.747 -5.529 -2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.130 -7.821 -2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.660 -7.474 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.430 -7.473 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.190 -6.010 -4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.488 -5.599 -4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.747 -4.348 -4.039 1.00 0.00 H new ATOM 797 N ASN A 52 4.456 -3.165 1.416 1.00 0.00 N ATOM 798 CA ASN A 52 4.109 -1.965 2.161 1.00 0.00 C ATOM 799 C ASN A 52 4.293 -0.739 1.287 1.00 0.00 C ATOM 800 O ASN A 52 5.374 -0.150 1.227 1.00 0.00 O ATOM 801 CB ASN A 52 4.970 -1.850 3.421 1.00 0.00 C ATOM 802 CG ASN A 52 5.200 -3.192 4.095 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.261 -3.434 4.671 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.206 -4.069 4.030 1.00 0.00 N ATOM 0 H ASN A 52 5.434 -3.443 1.493 1.00 0.00 H new ATOM 0 HA ASN A 52 3.063 -2.031 2.462 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.932 -1.409 3.160 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.488 -1.172 4.125 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.305 -4.985 4.468 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.343 -3.827 3.542 1.00 0.00 H new ATOM 811 N VAL A 53 3.221 -0.368 0.605 1.00 0.00 N ATOM 812 CA VAL A 53 3.240 0.753 -0.315 1.00 0.00 C ATOM 813 C VAL A 53 2.947 2.065 0.396 1.00 0.00 C ATOM 814 O VAL A 53 1.797 2.371 0.712 1.00 0.00 O ATOM 815 CB VAL A 53 2.208 0.561 -1.440 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.494 1.508 -2.595 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.189 -0.883 -1.910 1.00 0.00 C ATOM 0 H VAL A 53 2.317 -0.835 0.675 1.00 0.00 H new ATOM 0 HA VAL A 53 4.243 0.793 -0.739 1.00 0.00 H new ATOM 0 HB VAL A 53 1.220 0.798 -1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.754 1.357 -3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.444 2.538 -2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.490 1.308 -2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.453 -0.997 -2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.175 -1.156 -2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.926 -1.534 -1.076 1.00 0.00 H new ATOM 827 N MET A 54 3.988 2.863 0.584 1.00 0.00 N ATOM 828 CA MET A 54 3.846 4.164 1.220 1.00 0.00 C ATOM 829 C MET A 54 3.438 5.204 0.188 1.00 0.00 C ATOM 830 O MET A 54 3.497 4.948 -1.014 1.00 0.00 O ATOM 831 CB MET A 54 5.161 4.576 1.888 1.00 0.00 C ATOM 832 CG MET A 54 5.580 3.659 3.026 1.00 0.00 C ATOM 833 SD MET A 54 7.227 4.038 3.652 1.00 0.00 S ATOM 834 CE MET A 54 7.518 2.627 4.716 1.00 0.00 C ATOM 0 H MET A 54 4.941 2.632 0.305 1.00 0.00 H new ATOM 0 HA MET A 54 3.072 4.098 1.984 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.951 4.593 1.137 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.062 5.592 2.269 1.00 0.00 H new ATOM 0 HG2 MET A 54 4.859 3.742 3.839 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.555 2.625 2.682 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.501 2.716 5.178 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.754 2.593 5.493 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.476 1.712 4.126 1.00 0.00 H new ATOM 844 N VAL A 55 2.981 6.359 0.658 1.00 0.00 N ATOM 845 CA VAL A 55 2.530 7.413 -0.241 1.00 0.00 C ATOM 846 C VAL A 55 2.995 8.789 0.229 1.00 0.00 C ATOM 847 O VAL A 55 2.944 9.101 1.419 1.00 0.00 O ATOM 848 CB VAL A 55 0.990 7.410 -0.378 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.472 5.997 -0.586 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.329 8.044 0.838 1.00 0.00 C ATOM 0 H VAL A 55 2.913 6.588 1.650 1.00 0.00 H new ATOM 0 HA VAL A 55 2.975 7.208 -1.215 1.00 0.00 H new ATOM 0 HB VAL A 55 0.732 8.007 -1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.614 6.018 -0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.907 5.580 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.751 5.378 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.754 8.028 0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.600 7.484 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.667 9.075 0.940 1.00 0.00 H new ATOM 860 N VAL A 56 3.464 9.603 -0.711 1.00 0.00 N ATOM 861 CA VAL A 56 3.918 10.952 -0.390 1.00 0.00 C ATOM 862 C VAL A 56 2.801 11.965 -0.610 1.00 0.00 C ATOM 863 O VAL A 56 2.439 12.265 -1.749 1.00 0.00 O ATOM 864 CB VAL A 56 5.137 11.371 -1.237 1.00 0.00 C ATOM 865 CG1 VAL A 56 6.079 12.243 -0.420 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.865 10.152 -1.782 1.00 0.00 C ATOM 0 H VAL A 56 3.540 9.354 -1.697 1.00 0.00 H new ATOM 0 HA VAL A 56 4.210 10.938 0.660 1.00 0.00 H new ATOM 0 HB VAL A 56 4.779 11.954 -2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.933 12.529 -1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.552 13.139 -0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.427 11.686 0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.720 10.474 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.211 9.534 -0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.186 9.573 -2.408 1.00 0.00 H new ATOM 876 N VAL A 57 2.260 12.494 0.481 1.00 0.00 N ATOM 877 CA VAL A 57 1.192 13.481 0.399 1.00 0.00 C ATOM 878 C VAL A 57 1.557 14.746 1.170 1.00 0.00 C ATOM 879 O VAL A 57 2.117 14.679 2.264 1.00 0.00 O ATOM 880 CB VAL A 57 -0.143 12.923 0.931 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.534 11.664 0.171 1.00 0.00 C ATOM 882 CG2 VAL A 57 -0.061 12.646 2.424 1.00 0.00 C ATOM 0 H VAL A 57 2.543 12.256 1.431 1.00 0.00 H new ATOM 0 HA VAL A 57 1.068 13.726 -0.656 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.914 13.676 0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.479 11.283 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.645 11.898 -0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.241 10.908 0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.016 12.253 2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.725 11.915 2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.167 13.571 2.954 1.00 0.00 H new ATOM 892 N GLY A 58 1.253 15.897 0.582 1.00 0.00 N ATOM 893 CA GLY A 58 1.557 17.161 1.224 1.00 0.00 C ATOM 894 C GLY A 58 0.937 18.339 0.499 1.00 0.00 C ATOM 895 O GLY A 58 0.146 19.085 1.077 1.00 0.00 O ATOM 0 H GLY A 58 0.801 15.977 -0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.196 17.140 2.252 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.638 17.293 1.268 1.00 0.00 H new ATOM 899 N ASP A 59 1.289 18.501 -0.772 1.00 0.00 N ATOM 900 CA ASP A 59 0.750 19.585 -1.582 1.00 0.00 C ATOM 901 C ASP A 59 -0.631 19.220 -2.105 1.00 0.00 C ATOM 902 O ASP A 59 -1.392 20.082 -2.547 1.00 0.00 O ATOM 903 CB ASP A 59 1.689 19.896 -2.750 1.00 0.00 C ATOM 904 CG ASP A 59 1.193 21.049 -3.602 1.00 0.00 C ATOM 905 OD1 ASP A 59 1.385 22.214 -3.194 1.00 0.00 O ATOM 906 OD2 ASP A 59 0.614 20.786 -4.676 1.00 0.00 O ATOM 0 H ASP A 59 1.946 17.894 -1.263 1.00 0.00 H new ATOM 0 HA ASP A 59 0.664 20.473 -0.956 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.679 20.135 -2.362 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.796 19.008 -3.373 1.00 0.00 H new ATOM 911 N ALA A 60 -0.944 17.933 -2.047 1.00 0.00 N ATOM 912 CA ALA A 60 -2.234 17.431 -2.494 1.00 0.00 C ATOM 913 C ALA A 60 -3.359 17.907 -1.577 1.00 0.00 C ATOM 914 O ALA A 60 -3.313 19.017 -1.045 1.00 0.00 O ATOM 915 CB ALA A 60 -2.195 15.915 -2.559 1.00 0.00 C ATOM 0 H ALA A 60 -0.315 17.213 -1.691 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.437 17.825 -3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.162 15.540 -2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.421 15.601 -3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.973 15.514 -1.570 1.00 0.00 H new ATOM 921 N GLU A 61 -4.362 17.055 -1.382 1.00 0.00 N ATOM 922 CA GLU A 61 -5.495 17.390 -0.528 1.00 0.00 C ATOM 923 C GLU A 61 -6.036 16.146 0.165 1.00 0.00 C ATOM 924 O GLU A 61 -5.369 15.113 0.214 1.00 0.00 O ATOM 925 CB GLU A 61 -6.607 18.047 -1.351 1.00 0.00 C ATOM 926 CG GLU A 61 -6.519 17.762 -2.843 1.00 0.00 C ATOM 927 CD GLU A 61 -7.723 18.277 -3.606 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.132 19.432 -3.363 1.00 0.00 O ATOM 929 OE2 GLU A 61 -8.257 17.525 -4.449 1.00 0.00 O ATOM 0 H GLU A 61 -4.412 16.128 -1.804 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.150 18.092 0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.572 17.701 -0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.573 19.125 -1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.615 18.221 -3.244 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.427 16.687 -2.999 1.00 0.00 H new ATOM 936 N GLY A 62 -7.254 16.249 0.689 1.00 0.00 N ATOM 937 CA GLY A 62 -7.871 15.115 1.346 1.00 0.00 C ATOM 938 C GLY A 62 -8.481 14.158 0.346 1.00 0.00 C ATOM 939 O GLY A 62 -9.254 13.271 0.710 1.00 0.00 O ATOM 0 H GLY A 62 -7.822 17.096 0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.126 14.591 1.945 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.642 15.466 2.032 1.00 0.00 H new ATOM 943 N GLY A 63 -8.120 14.339 -0.922 1.00 0.00 N ATOM 944 CA GLY A 63 -8.635 13.485 -1.975 1.00 0.00 C ATOM 945 C GLY A 63 -8.077 12.078 -1.910 1.00 0.00 C ATOM 946 O GLY A 63 -8.436 11.225 -2.722 1.00 0.00 O ATOM 0 H GLY A 63 -7.477 15.065 -1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.722 13.444 -1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.394 13.923 -2.943 1.00 0.00 H new ATOM 950 N THR A 64 -7.198 11.832 -0.942 1.00 0.00 N ATOM 951 CA THR A 64 -6.607 10.510 -0.774 1.00 0.00 C ATOM 952 C THR A 64 -7.621 9.555 -0.162 1.00 0.00 C ATOM 953 O THR A 64 -7.353 8.365 -0.001 1.00 0.00 O ATOM 954 CB THR A 64 -5.357 10.579 0.103 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.707 10.570 1.477 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.515 11.808 -0.150 1.00 0.00 C ATOM 0 H THR A 64 -6.881 12.527 -0.266 1.00 0.00 H new ATOM 0 HA THR A 64 -6.317 10.140 -1.757 1.00 0.00 H new ATOM 0 HB THR A 64 -4.771 9.699 -0.160 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.894 10.613 2.022 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.644 11.794 0.505 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.187 11.816 -1.189 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.106 12.702 0.051 1.00 0.00 H new ATOM 964 N GLU A 65 -8.787 10.094 0.179 1.00 0.00 N ATOM 965 CA GLU A 65 -9.871 9.298 0.736 1.00 0.00 C ATOM 966 C GLU A 65 -10.205 8.140 -0.189 1.00 0.00 C ATOM 967 O GLU A 65 -10.731 7.112 0.238 1.00 0.00 O ATOM 968 CB GLU A 65 -11.109 10.169 0.929 1.00 0.00 C ATOM 969 CG GLU A 65 -11.531 10.911 -0.329 1.00 0.00 C ATOM 970 CD GLU A 65 -13.007 11.259 -0.332 1.00 0.00 C ATOM 971 OE1 GLU A 65 -13.834 10.336 -0.489 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.336 12.454 -0.176 1.00 0.00 O ATOM 0 H GLU A 65 -9.005 11.085 0.078 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.552 8.902 1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.935 9.543 1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.914 10.893 1.720 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.945 11.826 -0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.304 10.298 -1.201 1.00 0.00 H new ATOM 979 N ALA A 66 -9.871 8.320 -1.458 1.00 0.00 N ATOM 980 CA ALA A 66 -10.133 7.312 -2.477 1.00 0.00 C ATOM 981 C ALA A 66 -9.483 5.984 -2.116 1.00 0.00 C ATOM 982 O ALA A 66 -9.961 4.924 -2.517 1.00 0.00 O ATOM 983 CB ALA A 66 -9.633 7.788 -3.832 1.00 0.00 C ATOM 0 H ALA A 66 -9.414 9.162 -1.810 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.211 7.160 -2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.836 7.025 -4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.145 8.711 -4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.560 7.970 -3.780 1.00 0.00 H new ATOM 989 N ALA A 67 -8.419 6.040 -1.322 1.00 0.00 N ATOM 990 CA ALA A 67 -7.721 4.833 -0.903 1.00 0.00 C ATOM 991 C ALA A 67 -8.654 3.936 -0.104 1.00 0.00 C ATOM 992 O ALA A 67 -8.883 2.781 -0.467 1.00 0.00 O ATOM 993 CB ALA A 67 -6.491 5.187 -0.080 1.00 0.00 C ATOM 0 H ALA A 67 -8.023 6.906 -0.957 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.396 4.294 -1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.982 4.273 0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.815 5.796 -0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.794 5.746 0.805 1.00 0.00 H new ATOM 999 N GLU A 68 -9.214 4.484 0.968 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.155 3.746 1.797 1.00 0.00 C ATOM 1001 C GLU A 68 -11.353 3.296 0.965 1.00 0.00 C ATOM 1002 O GLU A 68 -11.936 2.240 1.214 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.627 4.610 2.967 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.527 4.941 3.962 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.051 5.117 5.374 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -11.059 5.835 5.548 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -9.456 4.536 6.305 1.00 0.00 O ATOM 0 H GLU A 68 -9.032 5.437 1.282 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.649 2.866 2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.044 5.539 2.577 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.433 4.093 3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.782 4.146 3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.022 5.855 3.649 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.731 4.123 -0.007 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.840 3.804 -0.895 1.00 0.00 C ATOM 1016 C GLU A 69 -12.536 2.539 -1.687 1.00 0.00 C ATOM 1017 O GLU A 69 -13.343 1.611 -1.733 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.110 4.969 -1.849 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.419 5.691 -1.572 1.00 0.00 C ATOM 1020 CD GLU A 69 -15.558 5.196 -2.444 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -15.367 4.188 -3.155 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -16.641 5.817 -2.413 1.00 0.00 O ATOM 0 H GLU A 69 -11.283 5.019 -0.198 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.730 3.634 -0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.289 5.683 -1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.121 4.595 -2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.686 5.560 -0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.281 6.760 -1.734 1.00 0.00 H new ATOM 1029 N SER A 70 -11.364 2.519 -2.313 1.00 0.00 N ATOM 1030 CA SER A 70 -10.924 1.366 -3.083 1.00 0.00 C ATOM 1031 C SER A 70 -10.766 0.155 -2.175 1.00 0.00 C ATOM 1032 O SER A 70 -10.745 -0.982 -2.639 1.00 0.00 O ATOM 1033 CB SER A 70 -9.601 1.671 -3.787 1.00 0.00 C ATOM 1034 OG SER A 70 -9.536 1.036 -5.052 1.00 0.00 O ATOM 0 H SER A 70 -10.700 3.293 -2.301 1.00 0.00 H new ATOM 0 HA SER A 70 -11.679 1.144 -3.837 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.492 2.748 -3.912 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.770 1.337 -3.166 1.00 0.00 H new ATOM 0 HG SER A 70 -8.681 1.249 -5.481 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.672 0.415 -0.874 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.530 -0.645 0.116 1.00 0.00 C ATOM 1042 C LEU A 71 -11.850 -1.384 0.299 1.00 0.00 C ATOM 1043 O LEU A 71 -11.872 -2.574 0.612 1.00 0.00 O ATOM 1044 CB LEU A 71 -10.072 -0.057 1.453 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.689 -0.507 1.931 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.660 -2.014 2.133 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.613 -0.075 0.945 1.00 0.00 C ATOM 0 H LEU A 71 -10.692 1.356 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.780 -1.352 -0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.073 1.030 1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.805 -0.320 2.216 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.484 -0.029 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.669 -2.317 2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.402 -2.295 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.888 -2.512 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.638 -0.405 1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.812 -0.522 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.618 1.011 0.854 1.00 0.00 H new ATOM 1059 N SER A 72 -12.949 -0.666 0.090 1.00 0.00 N ATOM 1060 CA SER A 72 -14.283 -1.243 0.209 1.00 0.00 C ATOM 1061 C SER A 72 -14.507 -2.314 -0.856 1.00 0.00 C ATOM 1062 O SER A 72 -15.485 -3.061 -0.808 1.00 0.00 O ATOM 1063 CB SER A 72 -15.337 -0.144 0.081 1.00 0.00 C ATOM 1064 OG SER A 72 -16.387 -0.330 1.014 1.00 0.00 O ATOM 0 H SER A 72 -12.941 0.322 -0.164 1.00 0.00 H new ATOM 0 HA SER A 72 -14.372 -1.712 1.189 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.873 0.829 0.241 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.742 -0.141 -0.931 1.00 0.00 H new ATOM 0 HG SER A 72 -17.046 0.388 0.912 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.587 -2.381 -1.813 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.675 -3.363 -2.879 1.00 0.00 C ATOM 1072 C GLY A 73 -12.305 -3.743 -3.399 1.00 0.00 C ATOM 1073 O GLY A 73 -12.155 -4.169 -4.545 1.00 0.00 O ATOM 0 H GLY A 73 -12.775 -1.767 -1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.186 -4.254 -2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.277 -2.963 -3.695 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.307 -3.578 -2.542 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.923 -3.875 -2.886 1.00 0.00 C ATOM 1079 C ILE A 74 -9.680 -5.384 -2.952 1.00 0.00 C ATOM 1080 O ILE A 74 -10.623 -6.173 -2.925 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.966 -3.230 -1.857 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.628 -2.876 -2.509 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.757 -4.140 -0.653 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -7.336 -1.391 -2.510 1.00 0.00 C ATOM 0 H ILE A 74 -11.433 -3.235 -1.590 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.725 -3.455 -3.872 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.428 -2.309 -1.502 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.827 -3.396 -1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.625 -3.240 -3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -8.080 -3.660 0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.715 -4.327 -0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.327 -5.086 -0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.373 -1.210 -2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.117 -0.867 -3.060 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.307 -1.025 -1.484 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.407 -5.770 -3.022 1.00 0.00 N ATOM 1097 CA GLU A 75 -8.015 -7.168 -3.072 1.00 0.00 C ATOM 1098 C GLU A 75 -8.670 -7.969 -1.951 1.00 0.00 C ATOM 1099 O GLU A 75 -8.149 -8.040 -0.837 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.493 -7.257 -2.961 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.819 -7.715 -4.241 1.00 0.00 C ATOM 1102 CD GLU A 75 -5.956 -6.716 -5.376 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -6.536 -5.634 -5.152 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -5.483 -7.022 -6.491 1.00 0.00 O ATOM 0 H GLU A 75 -7.622 -5.119 -3.045 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.348 -7.594 -4.018 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.099 -6.280 -2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.235 -7.946 -2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.761 -7.890 -4.045 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.248 -8.668 -4.550 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.818 -8.572 -2.257 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.526 -9.370 -1.273 1.00 0.00 C ATOM 1113 C GLY A 76 -9.683 -10.517 -0.760 1.00 0.00 C ATOM 1114 O GLY A 76 -9.869 -10.982 0.366 1.00 0.00 O ATOM 0 H GLY A 76 -10.269 -8.521 -3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.822 -8.736 -0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.442 -9.763 -1.716 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.742 -10.961 -1.585 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.840 -12.038 -1.207 1.00 0.00 C ATOM 1120 C VAL A 77 -6.620 -11.475 -0.494 1.00 0.00 C ATOM 1121 O VAL A 77 -6.182 -11.999 0.528 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.395 -12.859 -2.435 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.310 -12.142 -3.227 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -6.924 -14.242 -2.006 1.00 0.00 C ATOM 0 H VAL A 77 -8.585 -10.590 -2.522 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.380 -12.702 -0.533 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.258 -12.971 -3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.022 -12.751 -4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.689 -11.181 -3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.441 -11.980 -2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.613 -14.809 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.082 -14.143 -1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.739 -14.765 -1.506 1.00 0.00 H new ATOM 1134 N SER A 78 -6.122 -10.361 -1.014 1.00 0.00 N ATOM 1135 CA SER A 78 -4.973 -9.689 -0.436 1.00 0.00 C ATOM 1136 C SER A 78 -5.431 -8.573 0.491 1.00 0.00 C ATOM 1137 O SER A 78 -5.615 -7.436 0.059 1.00 0.00 O ATOM 1138 CB SER A 78 -4.082 -9.118 -1.549 1.00 0.00 C ATOM 1139 OG SER A 78 -4.236 -9.854 -2.751 1.00 0.00 O ATOM 0 H SER A 78 -6.502 -9.903 -1.842 1.00 0.00 H new ATOM 0 HA SER A 78 -4.396 -10.411 0.142 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.337 -8.073 -1.723 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.039 -9.144 -1.234 1.00 0.00 H new ATOM 0 HG SER A 78 -3.571 -9.555 -3.405 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.663 -8.910 1.758 1.00 0.00 N ATOM 1146 CA ASN A 79 -6.090 -7.902 2.722 1.00 0.00 C ATOM 1147 C ASN A 79 -4.900 -7.085 3.150 1.00 0.00 C ATOM 1148 O ASN A 79 -3.824 -7.618 3.424 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.761 -8.511 3.952 1.00 0.00 C ATOM 1150 CG ASN A 79 -7.792 -7.572 4.576 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -8.926 -7.976 4.830 1.00 0.00 O ATOM 1152 ND2 ASN A 79 -7.413 -6.308 4.828 1.00 0.00 N ATOM 0 H ASN A 79 -5.565 -9.853 2.134 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.831 -7.273 2.229 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.247 -9.446 3.672 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.001 -8.756 4.694 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.074 -5.651 5.242 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.465 -6.006 4.605 1.00 0.00 H new ATOM 1159 N ILE A 80 -5.098 -5.790 3.201 1.00 0.00 N ATOM 1160 CA ILE A 80 -4.030 -4.884 3.522 1.00 0.00 C ATOM 1161 C ILE A 80 -4.090 -4.403 4.960 1.00 0.00 C ATOM 1162 O ILE A 80 -5.168 -4.199 5.519 1.00 0.00 O ATOM 1163 CB ILE A 80 -4.089 -3.659 2.608 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.291 -4.075 1.152 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.834 -2.835 2.768 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.525 -3.473 0.517 1.00 0.00 C ATOM 0 H ILE A 80 -5.996 -5.341 3.023 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.101 -5.435 3.379 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.944 -3.048 2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.415 -3.781 0.574 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.358 -5.162 1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.884 -1.965 2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.744 -2.506 3.803 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.966 -3.439 2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.605 -3.812 -0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.409 -3.787 1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.451 -2.386 0.538 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.916 -4.159 5.525 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.816 -3.554 6.834 1.00 0.00 C ATOM 1180 C GLU A 81 -2.865 -2.053 6.627 1.00 0.00 C ATOM 1181 O GLU A 81 -1.844 -1.364 6.672 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.519 -3.966 7.535 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.385 -3.415 8.946 1.00 0.00 C ATOM 1184 CD GLU A 81 -1.860 -4.391 10.004 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -1.839 -5.612 9.739 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -2.248 -3.936 11.101 1.00 0.00 O ATOM 0 H GLU A 81 -2.019 -4.374 5.090 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.633 -3.885 7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.467 -5.054 7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.671 -3.627 6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.342 -3.161 9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.958 -2.491 9.027 1.00 0.00 H new ATOM 1193 N VAL A 82 -4.052 -1.588 6.264 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.268 -0.200 5.908 1.00 0.00 C ATOM 1195 C VAL A 82 -4.420 0.668 7.153 1.00 0.00 C ATOM 1196 O VAL A 82 -5.402 1.392 7.322 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.514 -0.075 5.007 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.751 1.372 4.601 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.364 -0.954 3.777 1.00 0.00 C ATOM 0 H VAL A 82 -4.891 -2.166 6.209 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.396 0.154 5.358 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.381 -0.412 5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.635 1.432 3.966 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.903 1.980 5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.885 1.742 4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.250 -0.856 3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.484 -0.644 3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.250 -1.994 4.084 1.00 0.00 H new ATOM 1209 N THR A 83 -3.452 0.544 8.049 1.00 0.00 N ATOM 1210 CA THR A 83 -3.448 1.318 9.279 1.00 0.00 C ATOM 1211 C THR A 83 -2.081 1.947 9.537 1.00 0.00 C ATOM 1212 O THR A 83 -1.847 2.505 10.609 1.00 0.00 O ATOM 1213 CB THR A 83 -3.844 0.431 10.461 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.857 -0.485 10.084 1.00 0.00 O ATOM 1215 CG2 THR A 83 -4.351 1.215 11.651 1.00 0.00 C ATOM 0 H THR A 83 -2.658 -0.087 7.946 1.00 0.00 H new ATOM 0 HA THR A 83 -4.176 2.122 9.170 1.00 0.00 H new ATOM 0 HB THR A 83 -2.932 -0.090 10.751 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.095 -1.044 10.853 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.615 0.527 12.454 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.573 1.895 11.997 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.231 1.788 11.361 1.00 0.00 H new ATOM 1223 N ASP A 84 -1.150 1.789 8.594 1.00 0.00 N ATOM 1224 CA ASP A 84 0.186 2.328 8.774 1.00 0.00 C ATOM 1225 C ASP A 84 0.252 3.788 8.347 1.00 0.00 C ATOM 1226 O ASP A 84 -0.344 4.182 7.344 1.00 0.00 O ATOM 1227 CB ASP A 84 1.201 1.491 7.999 1.00 0.00 C ATOM 1228 CG ASP A 84 1.317 0.077 8.535 1.00 0.00 C ATOM 1229 OD1 ASP A 84 0.287 -0.627 8.579 1.00 0.00 O ATOM 1230 OD2 ASP A 84 2.439 -0.324 8.909 1.00 0.00 O ATOM 0 H ASP A 84 -1.299 1.298 7.712 1.00 0.00 H new ATOM 0 HA ASP A 84 0.433 2.282 9.835 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.912 1.455 6.949 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.177 1.975 8.045 1.00 0.00 H new ATOM 1235 N VAL A 85 0.992 4.583 9.111 1.00 0.00 N ATOM 1236 CA VAL A 85 1.131 6.005 8.832 1.00 0.00 C ATOM 1237 C VAL A 85 2.503 6.520 9.258 1.00 0.00 C ATOM 1238 O VAL A 85 3.169 5.917 10.100 1.00 0.00 O ATOM 1239 CB VAL A 85 0.033 6.820 9.545 1.00 0.00 C ATOM 1240 CG1 VAL A 85 0.355 6.989 11.024 1.00 0.00 C ATOM 1241 CG2 VAL A 85 -0.155 8.172 8.875 1.00 0.00 C ATOM 0 H VAL A 85 1.507 4.264 9.932 1.00 0.00 H new ATOM 0 HA VAL A 85 1.025 6.133 7.755 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.903 6.268 9.465 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.434 7.567 11.504 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.425 6.009 11.495 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.305 7.512 11.132 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.934 8.730 9.394 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.780 8.731 8.915 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.446 8.025 7.835 1.00 0.00 H new ATOM 1251 N ARG A 86 2.921 7.632 8.664 1.00 0.00 N ATOM 1252 CA ARG A 86 4.219 8.226 8.968 1.00 0.00 C ATOM 1253 C ARG A 86 4.180 9.740 8.809 1.00 0.00 C ATOM 1254 O ARG A 86 4.429 10.266 7.724 1.00 0.00 O ATOM 1255 CB ARG A 86 5.294 7.645 8.050 1.00 0.00 C ATOM 1256 CG ARG A 86 5.796 6.282 8.486 1.00 0.00 C ATOM 1257 CD ARG A 86 7.306 6.183 8.360 1.00 0.00 C ATOM 1258 NE ARG A 86 7.751 4.806 8.163 1.00 0.00 N ATOM 1259 CZ ARG A 86 9.029 4.437 8.152 1.00 0.00 C ATOM 1260 NH1 ARG A 86 9.986 5.339 8.325 1.00 0.00 N ATOM 1261 NH2 ARG A 86 9.350 3.164 7.967 1.00 0.00 N ATOM 0 H ARG A 86 2.379 8.142 7.967 1.00 0.00 H new ATOM 0 HA ARG A 86 4.459 7.991 10.005 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.894 7.569 7.039 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.136 8.336 8.008 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.502 6.098 9.519 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.327 5.508 7.879 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.640 6.795 7.522 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.772 6.589 9.258 1.00 0.00 H new ATOM 0 HE ARG A 86 7.041 4.086 8.026 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.743 6.319 8.467 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.965 5.052 8.316 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.617 2.467 7.833 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.330 2.881 7.959 1.00 0.00 H new ATOM 1275 N ARG A 87 3.860 10.437 9.890 1.00 0.00 N ATOM 1276 CA ARG A 87 3.802 11.893 9.869 1.00 0.00 C ATOM 1277 C ARG A 87 5.199 12.494 9.991 1.00 0.00 C ATOM 1278 O ARG A 87 5.676 12.755 11.096 1.00 0.00 O ATOM 1279 CB ARG A 87 2.910 12.404 11.002 1.00 0.00 C ATOM 1280 CG ARG A 87 1.432 12.420 10.652 1.00 0.00 C ATOM 1281 CD ARG A 87 0.929 13.836 10.419 1.00 0.00 C ATOM 1282 NE ARG A 87 0.037 14.282 11.485 1.00 0.00 N ATOM 1283 CZ ARG A 87 -0.437 15.521 11.580 1.00 0.00 C ATOM 1284 NH1 ARG A 87 -0.105 16.433 10.678 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -1.245 15.847 12.581 1.00 0.00 N ATOM 0 H ARG A 87 3.636 10.019 10.793 1.00 0.00 H new ATOM 0 HA ARG A 87 3.376 12.203 8.915 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.060 11.778 11.882 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.222 13.413 11.272 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.263 11.821 9.757 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.861 11.958 11.458 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.778 14.516 10.349 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.405 13.882 9.465 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.238 13.605 12.197 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.516 16.186 9.908 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.470 17.382 10.754 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.502 15.147 13.277 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.609 16.797 12.654 1.00 0.00 H new ATOM 1299 N LEU A 88 5.857 12.713 8.853 1.00 0.00 N ATOM 1300 CA LEU A 88 7.197 13.294 8.853 1.00 0.00 C ATOM 1301 C LEU A 88 7.125 14.808 8.991 1.00 0.00 C ATOM 1302 O LEU A 88 7.055 15.525 7.992 1.00 0.00 O ATOM 1303 CB LEU A 88 7.965 12.944 7.578 1.00 0.00 C ATOM 1304 CG LEU A 88 7.300 11.925 6.658 1.00 0.00 C ATOM 1305 CD1 LEU A 88 7.960 11.949 5.288 1.00 0.00 C ATOM 1306 CD2 LEU A 88 7.371 10.537 7.273 1.00 0.00 C ATOM 0 H LEU A 88 5.487 12.499 7.927 1.00 0.00 H new ATOM 0 HA LEU A 88 7.728 12.872 9.706 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.130 13.861 7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.946 12.563 7.861 1.00 0.00 H new ATOM 0 HG LEU A 88 6.249 12.188 6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.478 11.218 4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.859 12.943 4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.017 11.703 5.389 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.893 9.819 6.607 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.414 10.257 7.420 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.857 10.538 8.234 1.00 0.00 H new ATOM 1318 N MET A 89 7.136 15.283 10.232 1.00 0.00 N ATOM 1319 CA MET A 89 7.074 16.715 10.507 1.00 0.00 C ATOM 1320 C MET A 89 8.473 17.301 10.667 1.00 0.00 C ATOM 1321 O MET A 89 8.584 18.539 10.796 1.00 0.00 O ATOM 1322 CB MET A 89 6.249 16.980 11.770 1.00 0.00 C ATOM 1323 CG MET A 89 6.497 15.977 12.884 1.00 0.00 C ATOM 1324 SD MET A 89 5.637 16.406 14.410 1.00 0.00 S ATOM 1325 CE MET A 89 3.932 16.350 13.866 1.00 0.00 C ATOM 1326 OXT MET A 89 9.446 16.519 10.666 1.00 0.00 O ATOM 0 H MET A 89 7.187 14.697 11.065 1.00 0.00 H new ATOM 0 HA MET A 89 6.592 17.200 9.658 1.00 0.00 H new ATOM 0 HB2 MET A 89 6.475 17.981 12.138 1.00 0.00 H new ATOM 0 HB3 MET A 89 5.190 16.967 11.511 1.00 0.00 H new ATOM 0 HG2 MET A 89 6.175 14.989 12.556 1.00 0.00 H new ATOM 0 HG3 MET A 89 7.567 15.915 13.080 1.00 0.00 H new ATOM 0 HE1 MET A 89 3.275 16.292 14.734 1.00 0.00 H new ATOM 0 HE2 MET A 89 3.702 17.250 13.296 1.00 0.00 H new ATOM 0 HE3 MET A 89 3.780 15.474 13.236 1.00 0.00 H new TER 1336 MET A 89