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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.762 USER MOD Single : A 9 LYS NZ :NH3+ -163:sc= 0.0875 (180deg=-0.372) USER MOD Single : A 11 MET CE :methyl 179:sc= -2 (180deg=-2) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.012) USER MOD Single : A 34 THR OG1 : rot -49:sc= -1.96! USER MOD Single : A 37 HIS : no HD1:sc= -3.53! C(o=-3.5!,f=-7.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN :FLIP amide:sc= -6.19! C(o=-7.6!,f=-6.2!) 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 -82:sc= -2.1 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.0604 F(o=-3.6!,f=-0.06) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -119:sc= -0.217 (180deg=-2.86!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.670 17.735 5.077 1.00 0.00 N ATOM 2 CA MET A 1 10.292 17.667 6.512 1.00 0.00 C ATOM 3 C MET A 1 8.951 18.344 6.768 1.00 0.00 C ATOM 4 O MET A 1 8.890 19.414 7.376 1.00 0.00 O ATOM 5 CB MET A 1 11.386 18.331 7.342 1.00 0.00 C ATOM 6 CG MET A 1 11.782 17.525 8.568 1.00 0.00 C ATOM 7 SD MET A 1 13.561 17.260 8.681 1.00 0.00 S ATOM 8 CE MET A 1 13.617 15.746 9.634 1.00 0.00 C ATOM 0 H1 MET A 1 11.587 17.265 4.937 1.00 0.00 H new ATOM 0 H2 MET A 1 9.945 17.257 4.504 1.00 0.00 H new ATOM 0 H3 MET A 1 10.742 18.730 4.784 1.00 0.00 H new ATOM 0 HA MET A 1 10.188 16.621 6.799 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.265 18.483 6.716 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.045 19.317 7.658 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.438 18.042 9.464 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.276 16.560 8.542 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.655 15.451 9.788 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.138 15.906 10.600 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.092 14.957 9.095 1.00 0.00 H new ATOM 20 N GLY A 2 7.882 17.723 6.295 1.00 0.00 N ATOM 21 CA GLY A 2 6.555 18.280 6.484 1.00 0.00 C ATOM 22 C GLY A 2 5.496 17.501 5.732 1.00 0.00 C ATOM 23 O GLY A 2 4.322 17.869 5.733 1.00 0.00 O ATOM 0 H GLY A 2 7.907 16.842 5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 2 6.313 18.286 7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 2 6.547 19.317 6.149 1.00 0.00 H new ATOM 27 N ASP A 3 5.930 16.454 5.038 1.00 0.00 N ATOM 28 CA ASP A 3 5.021 15.619 4.262 1.00 0.00 C ATOM 29 C ASP A 3 4.456 14.483 5.102 1.00 0.00 C ATOM 30 O ASP A 3 5.069 14.050 6.077 1.00 0.00 O ATOM 31 CB ASP A 3 5.732 15.039 3.040 1.00 0.00 C ATOM 32 CG ASP A 3 5.753 16.003 1.870 1.00 0.00 C ATOM 33 OD1 ASP A 3 4.672 16.502 1.494 1.00 0.00 O ATOM 34 OD2 ASP A 3 6.850 16.257 1.330 1.00 0.00 O ATOM 0 H ASP A 3 6.907 16.164 4.997 1.00 0.00 H new ATOM 0 HA ASP A 3 4.198 16.254 3.935 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.755 14.777 3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.235 14.117 2.738 1.00 0.00 H new ATOM 39 N VAL A 4 3.288 13.999 4.705 1.00 0.00 N ATOM 40 CA VAL A 4 2.659 12.874 5.379 1.00 0.00 C ATOM 41 C VAL A 4 2.770 11.615 4.514 1.00 0.00 C ATOM 42 O VAL A 4 2.341 11.603 3.360 1.00 0.00 O ATOM 43 CB VAL A 4 1.181 13.185 5.716 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.258 12.060 5.286 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.026 13.471 7.200 1.00 0.00 C ATOM 0 H VAL A 4 2.756 14.369 3.917 1.00 0.00 H new ATOM 0 HA VAL A 4 3.181 12.697 6.319 1.00 0.00 H new ATOM 0 HB VAL A 4 0.892 14.074 5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.771 12.316 5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.340 11.913 4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.540 11.141 5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.019 13.688 7.422 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.345 12.601 7.774 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.640 14.330 7.471 1.00 0.00 H new ATOM 55 N VAL A 5 3.388 10.575 5.057 1.00 0.00 N ATOM 56 CA VAL A 5 3.575 9.330 4.320 1.00 0.00 C ATOM 57 C VAL A 5 2.719 8.207 4.904 1.00 0.00 C ATOM 58 O VAL A 5 2.958 7.751 6.020 1.00 0.00 O ATOM 59 CB VAL A 5 5.057 8.896 4.325 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.207 7.460 3.840 1.00 0.00 C ATOM 61 CG2 VAL A 5 5.887 9.841 3.471 1.00 0.00 C ATOM 0 H VAL A 5 3.768 10.567 6.003 1.00 0.00 H new ATOM 0 HA VAL A 5 3.262 9.517 3.293 1.00 0.00 H new ATOM 0 HB VAL A 5 5.423 8.943 5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.260 7.180 3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.646 6.794 4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.822 7.377 2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.929 9.523 3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.516 9.826 2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.812 10.853 3.870 1.00 0.00 H new ATOM 71 N ALA A 6 1.730 7.756 4.136 1.00 0.00 N ATOM 72 CA ALA A 6 0.861 6.668 4.570 1.00 0.00 C ATOM 73 C ALA A 6 1.377 5.337 4.037 1.00 0.00 C ATOM 74 O ALA A 6 1.870 5.269 2.914 1.00 0.00 O ATOM 75 CB ALA A 6 -0.568 6.910 4.104 1.00 0.00 C ATOM 0 H ALA A 6 1.512 8.127 3.211 1.00 0.00 H new ATOM 0 HA ALA A 6 0.866 6.632 5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.203 6.089 4.436 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.935 7.846 4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.591 6.969 3.016 1.00 0.00 H new ATOM 81 N THR A 7 1.268 4.281 4.839 1.00 0.00 N ATOM 82 CA THR A 7 1.766 2.974 4.426 1.00 0.00 C ATOM 83 C THR A 7 0.670 1.910 4.448 1.00 0.00 C ATOM 84 O THR A 7 -0.030 1.718 5.454 1.00 0.00 O ATOM 85 CB THR A 7 2.937 2.542 5.301 1.00 0.00 C ATOM 86 OG1 THR A 7 3.857 3.607 5.472 1.00 0.00 O ATOM 87 CG2 THR A 7 3.697 1.361 4.737 1.00 0.00 C ATOM 0 H THR A 7 0.845 4.304 5.767 1.00 0.00 H new ATOM 0 HA THR A 7 2.109 3.073 3.396 1.00 0.00 H new ATOM 0 HB THR A 7 2.496 2.249 6.253 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.600 3.310 6.038 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.518 1.103 5.406 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.025 0.508 4.641 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.096 1.620 3.756 1.00 0.00 H new ATOM 95 N ILE A 8 0.570 1.204 3.324 1.00 0.00 N ATOM 96 CA ILE A 8 -0.432 0.166 3.122 1.00 0.00 C ATOM 97 C ILE A 8 0.237 -1.187 2.839 1.00 0.00 C ATOM 98 O ILE A 8 0.840 -1.374 1.785 1.00 0.00 O ATOM 99 CB ILE A 8 -1.337 0.547 1.931 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.712 2.039 1.995 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.567 -0.329 1.894 1.00 0.00 C ATOM 102 CD1 ILE A 8 -3.014 2.333 2.717 1.00 0.00 C ATOM 0 H ILE A 8 1.188 1.339 2.523 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.029 0.079 4.030 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.784 0.380 1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.907 2.582 2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.780 2.427 0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.191 -0.044 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.268 -1.372 1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.131 -0.204 2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.198 3.407 2.713 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.834 1.823 2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.947 1.980 3.746 1.00 0.00 H new ATOM 114 N LYS A 9 0.176 -2.108 3.805 1.00 0.00 N ATOM 115 CA LYS A 9 0.823 -3.420 3.663 1.00 0.00 C ATOM 116 C LYS A 9 -0.141 -4.488 3.157 1.00 0.00 C ATOM 117 O LYS A 9 -0.818 -5.149 3.939 1.00 0.00 O ATOM 118 CB LYS A 9 1.419 -3.869 4.993 1.00 0.00 C ATOM 119 CG LYS A 9 1.606 -2.747 6.002 1.00 0.00 C ATOM 120 CD LYS A 9 3.068 -2.394 6.190 1.00 0.00 C ATOM 121 CE LYS A 9 3.778 -3.401 7.082 1.00 0.00 C ATOM 122 NZ LYS A 9 3.209 -3.422 8.458 1.00 0.00 N ATOM 0 H LYS A 9 -0.312 -1.973 4.691 1.00 0.00 H new ATOM 0 HA LYS A 9 1.615 -3.301 2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.773 -4.631 5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.385 -4.339 4.806 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.059 -1.865 5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.178 -3.045 6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.561 -2.356 5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.149 -1.399 6.628 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.700 -4.395 6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.839 -3.157 7.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.878 -3.888 9.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.040 -2.447 8.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.310 -3.946 8.454 1.00 0.00 H new ATOM 136 N VAL A 10 -0.163 -4.686 1.849 1.00 0.00 N ATOM 137 CA VAL A 10 -1.079 -5.650 1.236 1.00 0.00 C ATOM 138 C VAL A 10 -0.432 -7.029 1.080 1.00 0.00 C ATOM 139 O VAL A 10 0.720 -7.143 0.667 1.00 0.00 O ATOM 140 CB VAL A 10 -1.598 -5.139 -0.136 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.311 -3.651 -0.294 1.00 0.00 C ATOM 142 CG2 VAL A 10 -1.006 -5.922 -1.303 1.00 0.00 C ATOM 0 H VAL A 10 0.439 -4.196 1.188 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.929 -5.753 1.910 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.676 -5.298 -0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.681 -3.310 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.810 -3.098 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.236 -3.480 -0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.398 -5.529 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.080 -5.824 -1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.276 -6.974 -1.210 1.00 0.00 H new ATOM 152 N MET A 11 -1.186 -8.077 1.420 1.00 0.00 N ATOM 153 CA MET A 11 -0.689 -9.446 1.308 1.00 0.00 C ATOM 154 C MET A 11 -1.806 -10.414 0.889 1.00 0.00 C ATOM 155 O MET A 11 -2.861 -10.483 1.526 1.00 0.00 O ATOM 156 CB MET A 11 -0.044 -9.892 2.632 1.00 0.00 C ATOM 157 CG MET A 11 -1.008 -10.507 3.637 1.00 0.00 C ATOM 158 SD MET A 11 -0.269 -11.858 4.573 1.00 0.00 S ATOM 159 CE MET A 11 -0.579 -13.240 3.477 1.00 0.00 C ATOM 0 H MET A 11 -2.140 -8.002 1.774 1.00 0.00 H new ATOM 0 HA MET A 11 0.072 -9.466 0.528 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.740 -10.616 2.412 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.439 -9.030 3.093 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.348 -9.735 4.328 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.889 -10.874 3.111 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.163 -14.149 3.911 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.653 -13.362 3.340 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.110 -13.051 2.512 1.00 0.00 H new ATOM 169 N PRO A 12 -1.588 -11.163 -0.211 1.00 0.00 N ATOM 170 CA PRO A 12 -2.562 -12.128 -0.733 1.00 0.00 C ATOM 171 C PRO A 12 -2.692 -13.354 0.165 1.00 0.00 C ATOM 172 O PRO A 12 -1.701 -14.009 0.487 1.00 0.00 O ATOM 173 CB PRO A 12 -1.992 -12.532 -2.104 1.00 0.00 C ATOM 174 CG PRO A 12 -0.891 -11.564 -2.379 1.00 0.00 C ATOM 175 CD PRO A 12 -0.379 -11.128 -1.039 1.00 0.00 C ATOM 0 HA PRO A 12 -3.562 -11.698 -0.789 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.619 -13.556 -2.088 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.759 -12.484 -2.877 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.100 -12.030 -2.966 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.255 -10.712 -2.954 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.392 -11.800 -0.661 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.058 -10.130 -1.077 1.00 0.00 H new ATOM 183 N GLU A 13 -3.919 -13.642 0.584 1.00 0.00 N ATOM 184 CA GLU A 13 -4.188 -14.780 1.456 1.00 0.00 C ATOM 185 C GLU A 13 -3.727 -16.091 0.828 1.00 0.00 C ATOM 186 O GLU A 13 -3.316 -17.014 1.531 1.00 0.00 O ATOM 187 CB GLU A 13 -5.682 -14.855 1.778 1.00 0.00 C ATOM 188 CG GLU A 13 -6.041 -14.279 3.139 1.00 0.00 C ATOM 189 CD GLU A 13 -5.895 -15.291 4.257 1.00 0.00 C ATOM 190 OE1 GLU A 13 -6.433 -16.410 4.121 1.00 0.00 O ATOM 191 OE2 GLU A 13 -5.242 -14.965 5.271 1.00 0.00 O ATOM 0 H GLU A 13 -4.746 -13.101 0.333 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.624 -14.632 2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.238 -14.320 1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.002 -15.896 1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.403 -13.420 3.346 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.068 -13.914 3.116 1.00 0.00 H new ATOM 198 N SER A 14 -3.830 -16.180 -0.494 1.00 0.00 N ATOM 199 CA SER A 14 -3.443 -17.392 -1.208 1.00 0.00 C ATOM 200 C SER A 14 -1.928 -17.487 -1.357 1.00 0.00 C ATOM 201 O SER A 14 -1.236 -16.470 -1.378 1.00 0.00 O ATOM 202 CB SER A 14 -4.106 -17.429 -2.587 1.00 0.00 C ATOM 203 OG SER A 14 -5.511 -17.275 -2.482 1.00 0.00 O ATOM 0 H SER A 14 -4.177 -15.430 -1.091 1.00 0.00 H new ATOM 0 HA SER A 14 -3.782 -18.247 -0.623 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.696 -16.636 -3.212 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.876 -18.374 -3.079 1.00 0.00 H new ATOM 0 HG SER A 14 -5.911 -17.300 -3.376 1.00 0.00 H new ATOM 209 N PRO A 15 -1.389 -18.717 -1.474 1.00 0.00 N ATOM 210 CA PRO A 15 0.052 -18.931 -1.634 1.00 0.00 C ATOM 211 C PRO A 15 0.559 -18.417 -2.977 1.00 0.00 C ATOM 212 O PRO A 15 1.755 -18.467 -3.263 1.00 0.00 O ATOM 213 CB PRO A 15 0.206 -20.452 -1.546 1.00 0.00 C ATOM 214 CG PRO A 15 -1.125 -20.992 -1.942 1.00 0.00 C ATOM 215 CD PRO A 15 -2.139 -19.989 -1.465 1.00 0.00 C ATOM 0 HA PRO A 15 0.631 -18.394 -0.882 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.992 -20.809 -2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.476 -20.765 -0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.186 -21.125 -3.022 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.300 -21.968 -1.490 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.006 -19.949 -2.124 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.507 -20.232 -0.468 1.00 0.00 H new ATOM 223 N ASP A 16 -0.366 -17.937 -3.799 1.00 0.00 N ATOM 224 CA ASP A 16 -0.027 -17.381 -5.101 1.00 0.00 C ATOM 225 C ASP A 16 0.220 -15.887 -4.973 1.00 0.00 C ATOM 226 O ASP A 16 -0.244 -15.094 -5.792 1.00 0.00 O ATOM 227 CB ASP A 16 -1.151 -17.648 -6.105 1.00 0.00 C ATOM 228 CG ASP A 16 -1.847 -18.972 -5.856 1.00 0.00 C ATOM 229 OD1 ASP A 16 -1.269 -20.022 -6.209 1.00 0.00 O ATOM 230 OD2 ASP A 16 -2.970 -18.959 -5.309 1.00 0.00 O ATOM 0 H ASP A 16 -1.363 -17.922 -3.584 1.00 0.00 H new ATOM 0 HA ASP A 16 0.881 -17.862 -5.465 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.882 -16.841 -6.051 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.741 -17.640 -7.115 1.00 0.00 H new ATOM 235 N VAL A 17 0.948 -15.517 -3.926 1.00 0.00 N ATOM 236 CA VAL A 17 1.248 -14.118 -3.643 1.00 0.00 C ATOM 237 C VAL A 17 2.133 -13.506 -4.731 1.00 0.00 C ATOM 238 O VAL A 17 3.340 -13.335 -4.547 1.00 0.00 O ATOM 239 CB VAL A 17 1.948 -13.970 -2.275 1.00 0.00 C ATOM 240 CG1 VAL A 17 2.371 -12.528 -2.029 1.00 0.00 C ATOM 241 CG2 VAL A 17 1.039 -14.460 -1.160 1.00 0.00 C ATOM 0 H VAL A 17 1.345 -16.173 -3.253 1.00 0.00 H new ATOM 0 HA VAL A 17 0.298 -13.585 -3.621 1.00 0.00 H new ATOM 0 HB VAL A 17 2.848 -14.585 -2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.861 -12.453 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.063 -12.213 -2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.492 -11.884 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.546 -14.349 -0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.121 -13.873 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.797 -15.510 -1.323 1.00 0.00 H new ATOM 251 N ASP A 18 1.535 -13.211 -5.880 1.00 0.00 N ATOM 252 CA ASP A 18 2.260 -12.575 -6.969 1.00 0.00 C ATOM 253 C ASP A 18 2.560 -11.124 -6.616 1.00 0.00 C ATOM 254 O ASP A 18 1.753 -10.235 -6.879 1.00 0.00 O ATOM 255 CB ASP A 18 1.456 -12.646 -8.267 1.00 0.00 C ATOM 256 CG ASP A 18 1.461 -14.035 -8.876 1.00 0.00 C ATOM 257 OD1 ASP A 18 1.226 -15.011 -8.132 1.00 0.00 O ATOM 258 OD2 ASP A 18 1.700 -14.148 -10.098 1.00 0.00 O ATOM 0 H ASP A 18 0.553 -13.402 -6.079 1.00 0.00 H new ATOM 0 HA ASP A 18 3.199 -13.107 -7.118 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.428 -12.342 -8.071 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.867 -11.936 -8.985 1.00 0.00 H new ATOM 263 N LEU A 19 3.688 -10.904 -5.954 1.00 0.00 N ATOM 264 CA LEU A 19 4.080 -9.563 -5.534 1.00 0.00 C ATOM 265 C LEU A 19 4.320 -8.661 -6.737 1.00 0.00 C ATOM 266 O LEU A 19 3.912 -7.500 -6.742 1.00 0.00 O ATOM 267 CB LEU A 19 5.335 -9.620 -4.654 1.00 0.00 C ATOM 268 CG LEU A 19 6.669 -9.624 -5.406 1.00 0.00 C ATOM 269 CD1 LEU A 19 7.287 -8.234 -5.403 1.00 0.00 C ATOM 270 CD2 LEU A 19 7.624 -10.638 -4.793 1.00 0.00 C ATOM 0 H LEU A 19 4.349 -11.637 -5.696 1.00 0.00 H new ATOM 0 HA LEU A 19 3.261 -9.142 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.322 -8.765 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.284 -10.517 -4.036 1.00 0.00 H new ATOM 0 HG LEU A 19 6.481 -9.913 -6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.234 -8.256 -5.942 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.609 -7.533 -5.890 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.461 -7.916 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.567 -10.627 -5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.807 -10.381 -3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.183 -11.633 -4.850 1.00 0.00 H new ATOM 282 N GLU A 20 4.926 -9.219 -7.779 1.00 0.00 N ATOM 283 CA GLU A 20 5.228 -8.450 -8.975 1.00 0.00 C ATOM 284 C GLU A 20 3.942 -8.074 -9.688 1.00 0.00 C ATOM 285 O GLU A 20 3.803 -6.960 -10.195 1.00 0.00 O ATOM 286 CB GLU A 20 6.135 -9.256 -9.910 1.00 0.00 C ATOM 287 CG GLU A 20 6.291 -8.644 -11.294 1.00 0.00 C ATOM 288 CD GLU A 20 7.593 -7.882 -11.451 1.00 0.00 C ATOM 289 OE1 GLU A 20 7.655 -6.715 -11.010 1.00 0.00 O ATOM 290 OE2 GLU A 20 8.550 -8.452 -12.016 1.00 0.00 O ATOM 0 H GLU A 20 5.216 -10.196 -7.818 1.00 0.00 H new ATOM 0 HA GLU A 20 5.751 -7.539 -8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.120 -9.351 -9.452 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.732 -10.264 -10.012 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.244 -9.434 -12.044 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.455 -7.971 -11.486 1.00 0.00 H new ATOM 297 N ALA A 21 2.995 -9.001 -9.711 1.00 0.00 N ATOM 298 CA ALA A 21 1.701 -8.735 -10.317 1.00 0.00 C ATOM 299 C ALA A 21 0.896 -7.784 -9.445 1.00 0.00 C ATOM 300 O ALA A 21 0.140 -6.949 -9.943 1.00 0.00 O ATOM 301 CB ALA A 21 0.937 -10.028 -10.553 1.00 0.00 C ATOM 0 H ALA A 21 3.098 -9.937 -9.320 1.00 0.00 H new ATOM 0 HA ALA A 21 1.865 -8.262 -11.285 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.028 -9.803 -11.007 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.510 -10.673 -11.219 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.780 -10.537 -9.602 1.00 0.00 H new ATOM 307 N LEU A 22 1.047 -7.940 -8.135 1.00 0.00 N ATOM 308 CA LEU A 22 0.373 -7.077 -7.178 1.00 0.00 C ATOM 309 C LEU A 22 0.928 -5.668 -7.270 1.00 0.00 C ATOM 310 O LEU A 22 0.236 -4.692 -6.986 1.00 0.00 O ATOM 311 CB LEU A 22 0.551 -7.623 -5.758 1.00 0.00 C ATOM 312 CG LEU A 22 -0.748 -7.968 -5.024 1.00 0.00 C ATOM 313 CD1 LEU A 22 -0.448 -8.426 -3.607 1.00 0.00 C ATOM 314 CD2 LEU A 22 -1.697 -6.778 -5.013 1.00 0.00 C ATOM 0 H LEU A 22 1.633 -8.660 -7.712 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.691 -7.053 -7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.171 -8.518 -5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.098 -6.887 -5.169 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.236 -8.784 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.381 -8.668 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.189 -9.310 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.064 -7.629 -3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.612 -7.047 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.221 -5.938 -4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.938 -6.495 -6.038 1.00 0.00 H new ATOM 326 N LYS A 23 2.188 -5.581 -7.677 1.00 0.00 N ATOM 327 CA LYS A 23 2.861 -4.303 -7.834 1.00 0.00 C ATOM 328 C LYS A 23 2.100 -3.422 -8.812 1.00 0.00 C ATOM 329 O LYS A 23 1.899 -2.232 -8.569 1.00 0.00 O ATOM 330 CB LYS A 23 4.289 -4.530 -8.327 1.00 0.00 C ATOM 331 CG LYS A 23 5.339 -4.312 -7.250 1.00 0.00 C ATOM 332 CD LYS A 23 6.587 -3.658 -7.813 1.00 0.00 C ATOM 333 CE LYS A 23 7.831 -4.467 -7.493 1.00 0.00 C ATOM 334 NZ LYS A 23 8.882 -3.637 -6.839 1.00 0.00 N ATOM 0 H LYS A 23 2.767 -6.389 -7.905 1.00 0.00 H new ATOM 0 HA LYS A 23 2.894 -3.798 -6.869 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.377 -5.547 -8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.489 -3.858 -9.161 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.925 -3.687 -6.458 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.601 -5.268 -6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.488 -3.553 -8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.689 -2.653 -7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.565 -5.298 -6.839 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.229 -4.899 -8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.714 -4.227 -6.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.154 -2.859 -7.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.512 -3.245 -5.950 1.00 0.00 H new ATOM 348 N LYS A 24 1.669 -4.024 -9.913 1.00 0.00 N ATOM 349 CA LYS A 24 0.902 -3.312 -10.922 1.00 0.00 C ATOM 350 C LYS A 24 -0.458 -2.902 -10.369 1.00 0.00 C ATOM 351 O LYS A 24 -0.922 -1.784 -10.600 1.00 0.00 O ATOM 352 CB LYS A 24 0.718 -4.183 -12.167 1.00 0.00 C ATOM 353 CG LYS A 24 1.879 -5.130 -12.428 1.00 0.00 C ATOM 354 CD LYS A 24 2.247 -5.167 -13.903 1.00 0.00 C ATOM 355 CE LYS A 24 1.502 -6.273 -14.634 1.00 0.00 C ATOM 356 NZ LYS A 24 2.273 -6.787 -15.800 1.00 0.00 N ATOM 0 H LYS A 24 1.839 -5.006 -10.129 1.00 0.00 H new ATOM 0 HA LYS A 24 1.453 -2.414 -11.199 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.197 -4.765 -12.060 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.585 -3.537 -13.035 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.744 -4.816 -11.844 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.614 -6.133 -12.093 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.015 -4.206 -14.361 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.321 -5.319 -14.008 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.300 -7.092 -13.944 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.537 -5.897 -14.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.730 -7.539 -16.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.445 -6.012 -16.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.183 -7.169 -15.473 1.00 0.00 H new ATOM 370 N GLU A 25 -1.102 -3.821 -9.652 1.00 0.00 N ATOM 371 CA GLU A 25 -2.409 -3.549 -9.065 1.00 0.00 C ATOM 372 C GLU A 25 -2.298 -2.481 -7.987 1.00 0.00 C ATOM 373 O GLU A 25 -3.250 -1.750 -7.714 1.00 0.00 O ATOM 374 CB GLU A 25 -3.006 -4.830 -8.477 1.00 0.00 C ATOM 375 CG GLU A 25 -3.460 -5.827 -9.531 1.00 0.00 C ATOM 376 CD GLU A 25 -4.597 -6.709 -9.054 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.301 -6.310 -8.101 1.00 0.00 O ATOM 378 OE2 GLU A 25 -4.788 -7.798 -9.635 1.00 0.00 O ATOM 0 H GLU A 25 -0.740 -4.756 -9.465 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.069 -3.183 -9.851 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.265 -5.305 -7.834 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.855 -4.569 -7.845 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.775 -5.287 -10.424 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.616 -6.454 -9.819 1.00 0.00 H new ATOM 385 N ILE A 26 -1.126 -2.413 -7.370 1.00 0.00 N ATOM 386 CA ILE A 26 -0.861 -1.442 -6.319 1.00 0.00 C ATOM 387 C ILE A 26 -0.980 -0.016 -6.849 1.00 0.00 C ATOM 388 O ILE A 26 -1.564 0.850 -6.199 1.00 0.00 O ATOM 389 CB ILE A 26 0.540 -1.660 -5.704 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.450 -2.628 -4.523 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.160 -0.341 -5.263 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.629 -3.569 -4.419 1.00 0.00 C ATOM 0 H ILE A 26 -0.338 -3.025 -7.582 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.610 -1.588 -5.541 1.00 0.00 H new ATOM 0 HB ILE A 26 1.184 -2.092 -6.470 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.371 -2.055 -3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.465 -3.214 -4.613 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.145 -0.527 -4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.258 0.321 -6.124 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.522 0.129 -4.515 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.496 -4.225 -3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.697 -4.169 -5.326 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.546 -2.992 -4.297 1.00 0.00 H new ATOM 404 N GLN A 27 -0.405 0.229 -8.018 1.00 0.00 N ATOM 405 CA GLN A 27 -0.457 1.552 -8.623 1.00 0.00 C ATOM 406 C GLN A 27 -1.904 1.970 -8.865 1.00 0.00 C ATOM 407 O GLN A 27 -2.259 3.140 -8.714 1.00 0.00 O ATOM 408 CB GLN A 27 0.317 1.563 -9.943 1.00 0.00 C ATOM 409 CG GLN A 27 1.724 1.000 -9.829 1.00 0.00 C ATOM 410 CD GLN A 27 2.789 2.009 -10.213 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.784 2.542 -11.322 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.708 2.279 -9.293 1.00 0.00 N ATOM 0 H GLN A 27 0.101 -0.468 -8.564 1.00 0.00 H new ATOM 0 HA GLN A 27 0.004 2.263 -7.937 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.237 0.987 -10.684 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.373 2.587 -10.313 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.896 0.667 -8.805 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.813 0.122 -10.469 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.674 1.813 -8.386 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.448 2.952 -9.493 1.00 0.00 H new ATOM 421 N GLU A 28 -2.732 1.001 -9.242 1.00 0.00 N ATOM 422 CA GLU A 28 -4.139 1.258 -9.528 1.00 0.00 C ATOM 423 C GLU A 28 -4.948 1.460 -8.250 1.00 0.00 C ATOM 424 O GLU A 28 -6.015 2.077 -8.274 1.00 0.00 O ATOM 425 CB GLU A 28 -4.728 0.100 -10.334 1.00 0.00 C ATOM 426 CG GLU A 28 -3.792 -0.430 -11.408 1.00 0.00 C ATOM 427 CD GLU A 28 -3.838 0.390 -12.682 1.00 0.00 C ATOM 428 OE1 GLU A 28 -3.665 1.624 -12.601 1.00 0.00 O ATOM 429 OE2 GLU A 28 -4.047 -0.201 -13.762 1.00 0.00 O ATOM 0 H GLU A 28 -2.451 0.027 -9.357 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.196 2.178 -10.110 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.984 -0.712 -9.654 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.656 0.429 -10.802 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.772 -0.439 -11.023 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.055 -1.463 -11.636 1.00 0.00 H new ATOM 436 N ARG A 29 -4.457 0.914 -7.142 1.00 0.00 N ATOM 437 CA ARG A 29 -5.157 1.018 -5.867 1.00 0.00 C ATOM 438 C ARG A 29 -4.744 2.277 -5.109 1.00 0.00 C ATOM 439 O ARG A 29 -5.396 2.671 -4.142 1.00 0.00 O ATOM 440 CB ARG A 29 -4.887 -0.227 -5.014 1.00 0.00 C ATOM 441 CG ARG A 29 -3.501 -0.258 -4.396 1.00 0.00 C ATOM 442 CD ARG A 29 -3.487 -0.991 -3.064 1.00 0.00 C ATOM 443 NE ARG A 29 -2.916 -0.162 -2.007 1.00 0.00 N ATOM 444 CZ ARG A 29 -1.654 0.256 -2.001 1.00 0.00 C ATOM 445 NH1 ARG A 29 -0.831 -0.095 -2.980 1.00 0.00 N ATOM 446 NH2 ARG A 29 -1.213 1.020 -1.015 1.00 0.00 N ATOM 0 H ARG A 29 -3.579 0.396 -7.101 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.225 1.086 -6.073 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.630 -0.279 -4.219 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.019 -1.115 -5.632 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.808 -0.743 -5.084 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.145 0.762 -4.252 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.503 -1.279 -2.794 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.910 -1.911 -3.159 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.518 0.112 -1.231 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.166 -0.687 -3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.137 0.227 -2.973 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.842 1.289 -0.258 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.244 1.340 -1.012 1.00 0.00 H new ATOM 460 N ILE A 30 -3.652 2.898 -5.547 1.00 0.00 N ATOM 461 CA ILE A 30 -3.151 4.111 -4.909 1.00 0.00 C ATOM 462 C ILE A 30 -4.193 5.231 -4.951 1.00 0.00 C ATOM 463 O ILE A 30 -4.849 5.436 -5.972 1.00 0.00 O ATOM 464 CB ILE A 30 -1.855 4.605 -5.587 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.706 3.631 -5.298 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.500 6.017 -5.128 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.220 3.660 -3.863 1.00 0.00 C ATOM 0 H ILE A 30 -3.097 2.581 -6.342 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.939 3.857 -3.870 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.020 4.640 -6.664 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.031 2.619 -5.540 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.129 3.864 -5.959 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.583 6.340 -5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.311 6.698 -5.387 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.352 6.022 -4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.593 2.944 -3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.138 4.661 -3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.040 3.396 -3.196 1.00 0.00 H new ATOM 479 N PRO A 31 -4.337 5.995 -3.848 1.00 0.00 N ATOM 480 CA PRO A 31 -5.278 7.116 -3.777 1.00 0.00 C ATOM 481 C PRO A 31 -5.111 8.080 -4.948 1.00 0.00 C ATOM 482 O PRO A 31 -4.091 8.760 -5.066 1.00 0.00 O ATOM 483 CB PRO A 31 -4.927 7.811 -2.451 1.00 0.00 C ATOM 484 CG PRO A 31 -3.625 7.222 -2.019 1.00 0.00 C ATOM 485 CD PRO A 31 -3.596 5.836 -2.588 1.00 0.00 C ATOM 0 HA PRO A 31 -6.313 6.779 -3.826 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.844 8.890 -2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.701 7.641 -1.703 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.787 7.814 -2.387 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.547 7.200 -0.932 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.577 5.488 -2.757 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.073 5.115 -1.925 1.00 0.00 H new ATOM 493 N GLU A 32 -6.115 8.115 -5.822 1.00 0.00 N ATOM 494 CA GLU A 32 -6.093 8.978 -7.003 1.00 0.00 C ATOM 495 C GLU A 32 -5.963 10.460 -6.643 1.00 0.00 C ATOM 496 O GLU A 32 -5.982 11.318 -7.526 1.00 0.00 O ATOM 497 CB GLU A 32 -7.360 8.762 -7.832 1.00 0.00 C ATOM 498 CG GLU A 32 -7.085 8.424 -9.288 1.00 0.00 C ATOM 499 CD GLU A 32 -8.198 8.876 -10.213 1.00 0.00 C ATOM 500 OE1 GLU A 32 -8.353 10.101 -10.401 1.00 0.00 O ATOM 501 OE2 GLU A 32 -8.916 8.006 -10.748 1.00 0.00 O ATOM 0 H GLU A 32 -6.960 7.551 -5.734 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.213 8.703 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.944 7.957 -7.385 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.972 9.663 -7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.150 8.892 -9.595 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.950 7.347 -9.388 1.00 0.00 H new ATOM 508 N GLY A 33 -5.830 10.762 -5.355 1.00 0.00 N ATOM 509 CA GLY A 33 -5.720 12.145 -4.929 1.00 0.00 C ATOM 510 C GLY A 33 -4.308 12.688 -5.051 1.00 0.00 C ATOM 511 O GLY A 33 -4.112 13.828 -5.473 1.00 0.00 O ATOM 0 H GLY A 33 -5.797 10.076 -4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.393 12.759 -5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.048 12.228 -3.893 1.00 0.00 H new ATOM 515 N THR A 34 -3.326 11.872 -4.686 1.00 0.00 N ATOM 516 CA THR A 34 -1.926 12.283 -4.754 1.00 0.00 C ATOM 517 C THR A 34 -1.085 11.229 -5.477 1.00 0.00 C ATOM 518 O THR A 34 -1.471 10.746 -6.542 1.00 0.00 O ATOM 519 CB THR A 34 -1.387 12.533 -3.343 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.439 12.895 -2.466 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.340 13.623 -3.278 1.00 0.00 C ATOM 0 H THR A 34 -3.471 10.923 -4.340 1.00 0.00 H new ATOM 0 HA THR A 34 -1.861 13.210 -5.323 1.00 0.00 H new ATOM 0 HB THR A 34 -0.922 11.594 -3.043 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.977 13.604 -2.876 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.005 13.744 -2.248 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.508 13.351 -3.906 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.768 14.560 -3.633 1.00 0.00 H new ATOM 529 N GLU A 35 0.067 10.880 -4.906 1.00 0.00 N ATOM 530 CA GLU A 35 0.950 9.891 -5.513 1.00 0.00 C ATOM 531 C GLU A 35 1.552 8.975 -4.455 1.00 0.00 C ATOM 532 O GLU A 35 1.540 9.292 -3.265 1.00 0.00 O ATOM 533 CB GLU A 35 2.064 10.588 -6.297 1.00 0.00 C ATOM 534 CG GLU A 35 1.579 11.271 -7.565 1.00 0.00 C ATOM 535 CD GLU A 35 2.563 12.298 -8.089 1.00 0.00 C ATOM 536 OE1 GLU A 35 3.583 11.893 -8.687 1.00 0.00 O ATOM 537 OE2 GLU A 35 2.314 13.507 -7.904 1.00 0.00 O ATOM 0 H GLU A 35 0.408 11.267 -4.026 1.00 0.00 H new ATOM 0 HA GLU A 35 0.358 9.282 -6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.540 11.329 -5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.827 9.855 -6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.402 10.518 -8.333 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.623 11.757 -7.368 1.00 0.00 H new ATOM 544 N LEU A 36 2.080 7.837 -4.896 1.00 0.00 N ATOM 545 CA LEU A 36 2.684 6.872 -3.985 1.00 0.00 C ATOM 546 C LEU A 36 4.068 7.338 -3.535 1.00 0.00 C ATOM 547 O LEU A 36 4.470 8.469 -3.808 1.00 0.00 O ATOM 548 CB LEU A 36 2.763 5.488 -4.642 1.00 0.00 C ATOM 549 CG LEU A 36 3.903 5.281 -5.647 1.00 0.00 C ATOM 550 CD1 LEU A 36 3.867 3.863 -6.198 1.00 0.00 C ATOM 551 CD2 LEU A 36 3.820 6.295 -6.781 1.00 0.00 C ATOM 0 H LEU A 36 2.102 7.561 -5.878 1.00 0.00 H new ATOM 0 HA LEU A 36 2.051 6.797 -3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.860 4.740 -3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.818 5.295 -5.151 1.00 0.00 H new ATOM 0 HG LEU A 36 4.849 5.432 -5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.681 3.729 -6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.980 3.152 -5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.914 3.692 -6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.639 6.127 -7.480 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.869 6.181 -7.302 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.892 7.303 -6.373 1.00 0.00 H new ATOM 563 N HIS A 37 4.774 6.473 -2.812 1.00 0.00 N ATOM 564 CA HIS A 37 6.098 6.803 -2.294 1.00 0.00 C ATOM 565 C HIS A 37 7.104 5.704 -2.605 1.00 0.00 C ATOM 566 O HIS A 37 7.897 5.816 -3.540 1.00 0.00 O ATOM 567 CB HIS A 37 6.029 7.011 -0.781 1.00 0.00 C ATOM 568 CG HIS A 37 7.331 7.425 -0.168 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.763 8.729 -0.209 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.250 6.675 0.488 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.928 8.745 0.415 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.262 7.524 0.854 1.00 0.00 N ATOM 0 H HIS A 37 4.450 5.536 -2.571 1.00 0.00 H new ATOM 0 HA HIS A 37 6.427 7.721 -2.781 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.277 7.769 -0.562 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.695 6.086 -0.311 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.195 5.614 0.684 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.533 9.629 0.553 1.00 0.00 H new ATOM 0 HE2 HIS A 37 10.109 7.274 1.364 1.00 0.00 H new ATOM 580 N LYS A 38 7.034 4.628 -1.829 1.00 0.00 N ATOM 581 CA LYS A 38 7.952 3.504 -1.970 1.00 0.00 C ATOM 582 C LYS A 38 7.362 2.255 -1.328 1.00 0.00 C ATOM 583 O LYS A 38 6.868 2.299 -0.201 1.00 0.00 O ATOM 584 CB LYS A 38 9.293 3.826 -1.302 1.00 0.00 C ATOM 585 CG LYS A 38 10.180 4.767 -2.102 1.00 0.00 C ATOM 586 CD LYS A 38 10.616 4.146 -3.418 1.00 0.00 C ATOM 587 CE LYS A 38 12.024 4.576 -3.797 1.00 0.00 C ATOM 588 NZ LYS A 38 12.950 3.414 -3.909 1.00 0.00 N ATOM 0 H LYS A 38 6.343 4.511 -1.088 1.00 0.00 H new ATOM 0 HA LYS A 38 8.110 3.324 -3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.102 4.269 -0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.833 2.895 -1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.643 5.695 -2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.060 5.026 -1.513 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.575 3.060 -3.340 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.921 4.436 -4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.997 5.111 -4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.404 5.272 -3.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.899 3.750 -4.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.996 2.918 -2.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.602 2.762 -4.640 1.00 0.00 H new ATOM 602 N ILE A 39 7.404 1.144 -2.056 1.00 0.00 N ATOM 603 CA ILE A 39 6.848 -0.111 -1.567 1.00 0.00 C ATOM 604 C ILE A 39 7.910 -0.966 -0.877 1.00 0.00 C ATOM 605 O ILE A 39 9.108 -0.773 -1.081 1.00 0.00 O ATOM 606 CB ILE A 39 6.202 -0.913 -2.706 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.409 0.032 -3.617 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.306 -2.003 -2.135 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.416 -0.665 -4.522 1.00 0.00 C ATOM 0 H ILE A 39 7.817 1.088 -2.987 1.00 0.00 H new ATOM 0 HA ILE A 39 6.082 0.147 -0.836 1.00 0.00 H new ATOM 0 HB ILE A 39 6.980 -1.393 -3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.875 0.752 -2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.109 0.598 -4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.853 -2.566 -2.951 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.900 -2.676 -1.516 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.522 -1.549 -1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.898 0.075 -5.132 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.943 -1.365 -5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.690 -1.208 -3.916 1.00 0.00 H new ATOM 621 N ASP A 40 7.455 -1.907 -0.051 1.00 0.00 N ATOM 622 CA ASP A 40 8.356 -2.777 0.697 1.00 0.00 C ATOM 623 C ASP A 40 8.005 -4.247 0.506 1.00 0.00 C ATOM 624 O ASP A 40 6.884 -4.663 0.787 1.00 0.00 O ATOM 625 CB ASP A 40 8.279 -2.438 2.182 1.00 0.00 C ATOM 626 CG ASP A 40 9.646 -2.371 2.837 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.630 -2.076 2.128 1.00 0.00 O ATOM 628 OD2 ASP A 40 9.730 -2.612 4.059 1.00 0.00 O ATOM 0 H ASP A 40 6.465 -2.085 0.116 1.00 0.00 H new ATOM 0 HA ASP A 40 9.365 -2.613 0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.773 -1.480 2.307 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.673 -3.187 2.691 1.00 0.00 H new ATOM 633 N GLU A 41 8.979 -5.040 0.076 1.00 0.00 N ATOM 634 CA GLU A 41 8.768 -6.473 -0.102 1.00 0.00 C ATOM 635 C GLU A 41 9.000 -7.214 1.214 1.00 0.00 C ATOM 636 O GLU A 41 10.034 -7.857 1.403 1.00 0.00 O ATOM 637 CB GLU A 41 9.700 -7.017 -1.187 1.00 0.00 C ATOM 638 CG GLU A 41 9.692 -6.195 -2.465 1.00 0.00 C ATOM 639 CD GLU A 41 11.078 -6.010 -3.049 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.819 -7.011 -3.148 1.00 0.00 O ATOM 641 OE2 GLU A 41 11.423 -4.865 -3.407 1.00 0.00 O ATOM 0 H GLU A 41 9.919 -4.718 -0.155 1.00 0.00 H new ATOM 0 HA GLU A 41 7.736 -6.634 -0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.717 -7.054 -0.796 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.411 -8.041 -1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.054 -6.682 -3.202 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.255 -5.218 -2.261 1.00 0.00 H new ATOM 648 N GLU A 42 8.048 -7.085 2.134 1.00 0.00 N ATOM 649 CA GLU A 42 8.145 -7.730 3.441 1.00 0.00 C ATOM 650 C GLU A 42 7.305 -9.002 3.482 1.00 0.00 C ATOM 651 O GLU A 42 6.162 -9.004 3.037 1.00 0.00 O ATOM 652 CB GLU A 42 7.683 -6.770 4.540 1.00 0.00 C ATOM 653 CG GLU A 42 8.802 -6.321 5.464 1.00 0.00 C ATOM 654 CD GLU A 42 8.354 -6.211 6.909 1.00 0.00 C ATOM 655 OE1 GLU A 42 7.351 -5.511 7.168 1.00 0.00 O ATOM 656 OE2 GLU A 42 9.005 -6.823 7.781 1.00 0.00 O ATOM 0 H GLU A 42 7.198 -6.538 1.998 1.00 0.00 H new ATOM 0 HA GLU A 42 9.188 -7.996 3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.230 -5.893 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.907 -7.255 5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.630 -7.027 5.396 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.179 -5.355 5.129 1.00 0.00 H new ATOM 663 N PRO A 43 7.855 -10.103 4.024 1.00 0.00 N ATOM 664 CA PRO A 43 7.147 -11.372 4.110 1.00 0.00 C ATOM 665 C PRO A 43 6.261 -11.464 5.345 1.00 0.00 C ATOM 666 O PRO A 43 6.481 -10.769 6.336 1.00 0.00 O ATOM 667 CB PRO A 43 8.268 -12.411 4.166 1.00 0.00 C ATOM 668 CG PRO A 43 9.511 -11.675 4.574 1.00 0.00 C ATOM 669 CD PRO A 43 9.204 -10.197 4.591 1.00 0.00 C ATOM 0 HA PRO A 43 6.468 -11.513 3.269 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.031 -13.199 4.881 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.402 -12.890 3.196 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.842 -12.005 5.559 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.323 -11.886 3.878 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.239 -9.795 5.603 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.925 -9.634 3.999 1.00 0.00 H new ATOM 677 N ILE A 44 5.242 -12.314 5.264 1.00 0.00 N ATOM 678 CA ILE A 44 4.290 -12.481 6.354 1.00 0.00 C ATOM 679 C ILE A 44 4.196 -13.941 6.784 1.00 0.00 C ATOM 680 O ILE A 44 4.825 -14.354 7.758 1.00 0.00 O ATOM 681 CB ILE A 44 2.892 -11.978 5.948 1.00 0.00 C ATOM 682 CG1 ILE A 44 3.016 -10.773 5.007 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.075 -11.621 7.182 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.674 -9.564 5.642 1.00 0.00 C ATOM 0 H ILE A 44 5.055 -12.900 4.450 1.00 0.00 H new ATOM 0 HA ILE A 44 4.653 -11.888 7.193 1.00 0.00 H new ATOM 0 HB ILE A 44 2.372 -12.776 5.418 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.590 -11.068 4.129 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.022 -10.493 4.659 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.090 -11.267 6.877 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.964 -12.503 7.813 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.585 -10.837 7.741 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.725 -8.754 4.915 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.089 -9.242 6.503 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.681 -9.826 5.965 1.00 0.00 H new ATOM 696 N ALA A 45 3.397 -14.717 6.056 1.00 0.00 N ATOM 697 CA ALA A 45 3.226 -16.134 6.352 1.00 0.00 C ATOM 698 C ALA A 45 4.516 -16.907 6.090 1.00 0.00 C ATOM 699 O ALA A 45 5.609 -16.344 6.136 1.00 0.00 O ATOM 700 CB ALA A 45 2.080 -16.710 5.532 1.00 0.00 C ATOM 0 H ALA A 45 2.858 -14.386 5.256 1.00 0.00 H new ATOM 0 HA ALA A 45 2.983 -16.235 7.410 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.964 -17.769 5.763 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.158 -16.182 5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.297 -16.592 4.470 1.00 0.00 H new ATOM 706 N PHE A 46 4.381 -18.197 5.799 1.00 0.00 N ATOM 707 CA PHE A 46 5.536 -19.040 5.520 1.00 0.00 C ATOM 708 C PHE A 46 6.136 -18.698 4.160 1.00 0.00 C ATOM 709 O PHE A 46 7.330 -18.886 3.933 1.00 0.00 O ATOM 710 CB PHE A 46 5.137 -20.515 5.561 1.00 0.00 C ATOM 711 CG PHE A 46 5.227 -21.121 6.932 1.00 0.00 C ATOM 712 CD1 PHE A 46 6.458 -21.418 7.493 1.00 0.00 C ATOM 713 CD2 PHE A 46 4.079 -21.393 7.660 1.00 0.00 C ATOM 714 CE1 PHE A 46 6.544 -21.975 8.755 1.00 0.00 C ATOM 715 CE2 PHE A 46 4.159 -21.950 8.922 1.00 0.00 C ATOM 716 CZ PHE A 46 5.393 -22.242 9.470 1.00 0.00 C ATOM 0 H PHE A 46 3.484 -18.680 5.751 1.00 0.00 H new ATOM 0 HA PHE A 46 6.288 -18.855 6.287 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.116 -20.618 5.193 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.779 -21.076 4.881 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.361 -21.212 6.938 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.112 -21.167 7.236 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.510 -22.201 9.181 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.257 -22.157 9.480 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.458 -22.678 10.456 1.00 0.00 H new ATOM 726 N GLY A 47 5.300 -18.177 3.267 1.00 0.00 N ATOM 727 CA GLY A 47 5.763 -17.813 1.940 1.00 0.00 C ATOM 728 C GLY A 47 4.965 -16.678 1.320 1.00 0.00 C ATOM 729 O GLY A 47 5.203 -16.305 0.171 1.00 0.00 O ATOM 0 H GLY A 47 4.310 -18.000 3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.812 -17.524 1.995 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.707 -18.686 1.290 1.00 0.00 H new ATOM 733 N LEU A 48 4.012 -16.132 2.073 1.00 0.00 N ATOM 734 CA LEU A 48 3.186 -15.034 1.580 1.00 0.00 C ATOM 735 C LEU A 48 3.802 -13.687 1.945 1.00 0.00 C ATOM 736 O LEU A 48 3.708 -13.240 3.089 1.00 0.00 O ATOM 737 CB LEU A 48 1.763 -15.132 2.144 1.00 0.00 C ATOM 738 CG LEU A 48 1.149 -16.539 2.169 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.367 -16.461 2.310 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.523 -17.320 0.919 1.00 0.00 C ATOM 0 H LEU A 48 3.794 -16.431 3.023 1.00 0.00 H new ATOM 0 HA LEU A 48 3.138 -15.111 0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.768 -14.740 3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.114 -14.483 1.556 1.00 0.00 H new ATOM 0 HG LEU A 48 1.553 -17.065 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.783 -17.468 2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.620 -15.949 3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.783 -15.910 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.075 -18.313 0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.155 -16.794 0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.607 -17.414 0.859 1.00 0.00 H new ATOM 752 N VAL A 49 4.426 -13.042 0.964 1.00 0.00 N ATOM 753 CA VAL A 49 5.083 -11.758 1.184 1.00 0.00 C ATOM 754 C VAL A 49 4.163 -10.587 0.848 1.00 0.00 C ATOM 755 O VAL A 49 3.629 -10.497 -0.257 1.00 0.00 O ATOM 756 CB VAL A 49 6.372 -11.641 0.343 1.00 0.00 C ATOM 757 CG1 VAL A 49 6.998 -10.260 0.494 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.364 -12.726 0.733 1.00 0.00 C ATOM 0 H VAL A 49 4.490 -13.389 0.007 1.00 0.00 H new ATOM 0 HA VAL A 49 5.335 -11.715 2.244 1.00 0.00 H new ATOM 0 HB VAL A 49 6.107 -11.777 -0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.905 -10.204 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.291 -9.501 0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.247 -10.086 1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.266 -12.628 0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.620 -12.623 1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.918 -13.706 0.562 1.00 0.00 H new ATOM 768 N ALA A 50 4.052 -9.652 1.785 1.00 0.00 N ATOM 769 CA ALA A 50 3.231 -8.463 1.595 1.00 0.00 C ATOM 770 C ALA A 50 4.070 -7.299 1.095 1.00 0.00 C ATOM 771 O ALA A 50 5.296 -7.306 1.204 1.00 0.00 O ATOM 772 CB ALA A 50 2.552 -8.071 2.895 1.00 0.00 C ATOM 0 H ALA A 50 4.523 -9.696 2.688 1.00 0.00 H new ATOM 0 HA ALA A 50 2.473 -8.700 0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.943 -7.181 2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.916 -8.889 3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.308 -7.861 3.652 1.00 0.00 H new ATOM 778 N LEU A 51 3.397 -6.294 0.555 1.00 0.00 N ATOM 779 CA LEU A 51 4.067 -5.109 0.050 1.00 0.00 C ATOM 780 C LEU A 51 3.575 -3.870 0.781 1.00 0.00 C ATOM 781 O LEU A 51 2.386 -3.551 0.755 1.00 0.00 O ATOM 782 CB LEU A 51 3.822 -4.966 -1.454 1.00 0.00 C ATOM 783 CG LEU A 51 4.793 -5.741 -2.346 1.00 0.00 C ATOM 784 CD1 LEU A 51 4.635 -7.238 -2.126 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.574 -5.387 -3.809 1.00 0.00 C ATOM 0 H LEU A 51 2.382 -6.278 0.456 1.00 0.00 H new ATOM 0 HA LEU A 51 5.138 -5.213 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.807 -5.297 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.876 -3.909 -1.716 1.00 0.00 H new ATOM 0 HG LEU A 51 5.811 -5.459 -2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.333 -7.776 -2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.844 -7.477 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.615 -7.536 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.274 -5.948 -4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.553 -5.640 -4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.738 -4.319 -3.953 1.00 0.00 H new ATOM 797 N ASN A 52 4.496 -3.175 1.434 1.00 0.00 N ATOM 798 CA ASN A 52 4.159 -1.966 2.166 1.00 0.00 C ATOM 799 C ASN A 52 4.276 -0.761 1.250 1.00 0.00 C ATOM 800 O ASN A 52 5.346 -0.167 1.110 1.00 0.00 O ATOM 801 CB ASN A 52 5.078 -1.803 3.378 1.00 0.00 C ATOM 802 CG ASN A 52 5.420 -3.130 4.032 1.00 0.00 C ATOM 803 OD1 ASN A 52 4.476 -4.064 4.015 1.00 0.00 O flip ATOM 804 ND2 ASN A 52 6.521 -3.311 4.551 1.00 0.00 N flip ATOM 0 H ASN A 52 5.483 -3.430 1.471 1.00 0.00 H new ATOM 0 HA ASN A 52 3.132 -2.043 2.522 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.998 -1.307 3.068 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.597 -1.154 4.110 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.218 -2.566 4.542 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.737 -4.206 4.990 1.00 0.00 H new ATOM 811 N VAL A 53 3.164 -0.421 0.616 1.00 0.00 N ATOM 812 CA VAL A 53 3.126 0.675 -0.335 1.00 0.00 C ATOM 813 C VAL A 53 2.878 2.006 0.360 1.00 0.00 C ATOM 814 O VAL A 53 1.755 2.314 0.758 1.00 0.00 O ATOM 815 CB VAL A 53 2.031 0.452 -1.394 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.172 1.456 -2.528 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.081 -0.974 -1.922 1.00 0.00 C ATOM 0 H VAL A 53 2.270 -0.894 0.746 1.00 0.00 H new ATOM 0 HA VAL A 53 4.101 0.704 -0.822 1.00 0.00 H new ATOM 0 HB VAL A 53 1.060 0.606 -0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.389 1.283 -3.267 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.080 2.467 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.148 1.338 -2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.300 -1.113 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.054 -1.160 -2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.925 -1.672 -1.100 1.00 0.00 H new ATOM 827 N MET A 54 3.930 2.808 0.458 1.00 0.00 N ATOM 828 CA MET A 54 3.835 4.122 1.076 1.00 0.00 C ATOM 829 C MET A 54 3.361 5.146 0.058 1.00 0.00 C ATOM 830 O MET A 54 3.409 4.901 -1.146 1.00 0.00 O ATOM 831 CB MET A 54 5.192 4.538 1.650 1.00 0.00 C ATOM 832 CG MET A 54 5.632 3.703 2.841 1.00 0.00 C ATOM 833 SD MET A 54 7.425 3.550 2.960 1.00 0.00 S ATOM 834 CE MET A 54 7.577 2.053 3.930 1.00 0.00 C ATOM 0 H MET A 54 4.861 2.570 0.116 1.00 0.00 H new ATOM 0 HA MET A 54 3.112 4.074 1.890 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.946 4.464 0.867 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.145 5.585 1.949 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.248 4.153 3.757 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.191 2.709 2.765 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.632 1.827 4.088 1.00 0.00 H new ATOM 0 HE2 MET A 54 7.088 2.193 4.894 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.104 1.226 3.400 1.00 0.00 H new ATOM 844 N VAL A 55 2.852 6.271 0.547 1.00 0.00 N ATOM 845 CA VAL A 55 2.337 7.315 -0.327 1.00 0.00 C ATOM 846 C VAL A 55 2.735 8.699 0.173 1.00 0.00 C ATOM 847 O VAL A 55 2.696 8.972 1.374 1.00 0.00 O ATOM 848 CB VAL A 55 0.798 7.234 -0.451 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.350 5.795 -0.654 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.117 7.835 0.770 1.00 0.00 C ATOM 0 H VAL A 55 2.786 6.482 1.543 1.00 0.00 H new ATOM 0 HA VAL A 55 2.778 7.155 -1.311 1.00 0.00 H new ATOM 0 HB VAL A 55 0.503 7.816 -1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.736 5.761 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.798 5.400 -1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.667 5.192 0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.965 7.764 0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.423 7.290 1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.404 8.882 0.868 1.00 0.00 H new ATOM 860 N VAL A 56 3.133 9.568 -0.750 1.00 0.00 N ATOM 861 CA VAL A 56 3.523 10.924 -0.393 1.00 0.00 C ATOM 862 C VAL A 56 2.340 11.876 -0.504 1.00 0.00 C ATOM 863 O VAL A 56 2.003 12.340 -1.593 1.00 0.00 O ATOM 864 CB VAL A 56 4.664 11.447 -1.285 1.00 0.00 C ATOM 865 CG1 VAL A 56 5.360 12.620 -0.614 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.653 10.339 -1.603 1.00 0.00 C ATOM 0 H VAL A 56 3.193 9.357 -1.746 1.00 0.00 H new ATOM 0 HA VAL A 56 3.872 10.886 0.639 1.00 0.00 H new ATOM 0 HB VAL A 56 4.237 11.792 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.165 12.981 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.641 13.423 -0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.774 12.299 0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.450 10.733 -2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.080 9.955 -0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.140 9.533 -2.127 1.00 0.00 H new ATOM 876 N VAL A 57 1.705 12.154 0.627 1.00 0.00 N ATOM 877 CA VAL A 57 0.562 13.056 0.658 1.00 0.00 C ATOM 878 C VAL A 57 0.723 14.109 1.747 1.00 0.00 C ATOM 879 O VAL A 57 1.187 13.813 2.846 1.00 0.00 O ATOM 880 CB VAL A 57 -0.759 12.293 0.880 1.00 0.00 C ATOM 881 CG1 VAL A 57 -1.012 11.317 -0.256 1.00 0.00 C ATOM 882 CG2 VAL A 57 -0.745 11.569 2.214 1.00 0.00 C ATOM 0 H VAL A 57 1.962 11.768 1.535 1.00 0.00 H new ATOM 0 HA VAL A 57 0.523 13.547 -0.314 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.572 13.019 0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.949 10.789 -0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.074 11.863 -1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.194 10.598 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.687 11.038 2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.080 10.856 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.618 12.292 3.019 1.00 0.00 H new ATOM 892 N GLY A 58 0.367 15.342 1.425 1.00 0.00 N ATOM 893 CA GLY A 58 0.475 16.420 2.387 1.00 0.00 C ATOM 894 C GLY A 58 -0.020 17.741 1.835 1.00 0.00 C ATOM 895 O GLY A 58 -0.953 18.338 2.374 1.00 0.00 O ATOM 0 H GLY A 58 0.004 15.617 0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.097 16.165 3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.515 16.525 2.695 1.00 0.00 H new ATOM 899 N ASP A 59 0.605 18.198 0.753 1.00 0.00 N ATOM 900 CA ASP A 59 0.217 19.454 0.120 1.00 0.00 C ATOM 901 C ASP A 59 -0.993 19.246 -0.780 1.00 0.00 C ATOM 902 O ASP A 59 -1.572 20.202 -1.294 1.00 0.00 O ATOM 903 CB ASP A 59 1.382 20.025 -0.692 1.00 0.00 C ATOM 904 CG ASP A 59 2.719 19.814 -0.010 1.00 0.00 C ATOM 905 OD1 ASP A 59 3.282 18.706 -0.134 1.00 0.00 O ATOM 906 OD2 ASP A 59 3.205 20.758 0.650 1.00 0.00 O ATOM 0 H ASP A 59 1.381 17.718 0.297 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.047 20.165 0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.401 19.555 -1.675 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.222 21.091 -0.851 1.00 0.00 H new ATOM 911 N ALA A 60 -1.362 17.984 -0.964 1.00 0.00 N ATOM 912 CA ALA A 60 -2.510 17.628 -1.784 1.00 0.00 C ATOM 913 C ALA A 60 -3.813 18.093 -1.138 1.00 0.00 C ATOM 914 O ALA A 60 -3.882 19.185 -0.574 1.00 0.00 O ATOM 915 CB ALA A 60 -2.526 16.126 -2.016 1.00 0.00 C ATOM 0 H ALA A 60 -0.878 17.186 -0.552 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.424 18.134 -2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.387 15.862 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.610 15.827 -2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.592 15.611 -1.058 1.00 0.00 H new ATOM 921 N GLU A 61 -4.837 17.253 -1.209 1.00 0.00 N ATOM 922 CA GLU A 61 -6.136 17.578 -0.632 1.00 0.00 C ATOM 923 C GLU A 61 -6.827 16.324 -0.117 1.00 0.00 C ATOM 924 O GLU A 61 -6.190 15.288 0.079 1.00 0.00 O ATOM 925 CB GLU A 61 -7.024 18.270 -1.670 1.00 0.00 C ATOM 926 CG GLU A 61 -6.724 17.860 -3.103 1.00 0.00 C ATOM 927 CD GLU A 61 -7.883 18.133 -4.042 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.252 19.315 -4.200 1.00 0.00 O ATOM 929 OE2 GLU A 61 -8.420 17.165 -4.618 1.00 0.00 O ATOM 0 H GLU A 61 -4.794 16.340 -1.661 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.973 18.256 0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.068 18.047 -1.449 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.902 19.349 -1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.843 18.397 -3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.482 16.798 -3.130 1.00 0.00 H new ATOM 936 N GLY A 62 -8.135 16.420 0.094 1.00 0.00 N ATOM 937 CA GLY A 62 -8.891 15.279 0.568 1.00 0.00 C ATOM 938 C GLY A 62 -9.222 14.323 -0.554 1.00 0.00 C ATOM 939 O GLY A 62 -10.028 13.408 -0.387 1.00 0.00 O ATOM 0 H GLY A 62 -8.683 17.267 -0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.319 14.756 1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.813 15.623 1.037 1.00 0.00 H new ATOM 943 N GLY A 63 -8.589 14.537 -1.705 1.00 0.00 N ATOM 944 CA GLY A 63 -8.821 13.681 -2.853 1.00 0.00 C ATOM 945 C GLY A 63 -8.239 12.296 -2.669 1.00 0.00 C ATOM 946 O GLY A 63 -8.539 11.384 -3.440 1.00 0.00 O ATOM 0 H GLY A 63 -7.919 15.290 -1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.893 13.600 -3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.384 14.141 -3.739 1.00 0.00 H new ATOM 950 N THR A 64 -7.407 12.133 -1.643 1.00 0.00 N ATOM 951 CA THR A 64 -6.802 10.838 -1.360 1.00 0.00 C ATOM 952 C THR A 64 -7.829 9.899 -0.750 1.00 0.00 C ATOM 953 O THR A 64 -7.550 8.725 -0.507 1.00 0.00 O ATOM 954 CB THR A 64 -5.606 10.986 -0.420 1.00 0.00 C ATOM 955 OG1 THR A 64 -6.023 10.942 0.933 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.833 12.269 -0.624 1.00 0.00 C ATOM 0 H THR A 64 -7.139 12.877 -0.999 1.00 0.00 H new ATOM 0 HA THR A 64 -6.449 10.417 -2.301 1.00 0.00 H new ATOM 0 HB THR A 64 -4.949 10.149 -0.658 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.243 11.037 1.519 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.999 12.307 0.077 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.452 12.306 -1.644 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.490 13.121 -0.451 1.00 0.00 H new ATOM 964 N GLU A 65 -9.025 10.430 -0.507 1.00 0.00 N ATOM 965 CA GLU A 65 -10.122 9.637 0.027 1.00 0.00 C ATOM 966 C GLU A 65 -10.367 8.426 -0.855 1.00 0.00 C ATOM 967 O GLU A 65 -10.883 7.401 -0.407 1.00 0.00 O ATOM 968 CB GLU A 65 -11.392 10.479 0.096 1.00 0.00 C ATOM 969 CG GLU A 65 -11.795 11.085 -1.239 1.00 0.00 C ATOM 970 CD GLU A 65 -13.073 10.483 -1.789 1.00 0.00 C ATOM 971 OE1 GLU A 65 -13.033 9.322 -2.248 1.00 0.00 O ATOM 972 OE2 GLU A 65 -14.115 11.170 -1.757 1.00 0.00 O ATOM 0 H GLU A 65 -9.256 11.409 -0.673 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.855 9.304 1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.209 9.859 0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.247 11.281 0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.926 12.161 -1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.989 10.939 -1.959 1.00 0.00 H new ATOM 979 N ALA A 66 -9.964 8.558 -2.111 1.00 0.00 N ATOM 980 CA ALA A 66 -10.139 7.495 -3.093 1.00 0.00 C ATOM 981 C ALA A 66 -9.504 6.197 -2.612 1.00 0.00 C ATOM 982 O ALA A 66 -9.973 5.112 -2.945 1.00 0.00 O ATOM 983 CB ALA A 66 -9.541 7.910 -4.428 1.00 0.00 C ATOM 0 H ALA A 66 -9.511 9.396 -2.476 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.208 7.323 -3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.678 7.108 -5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.039 8.811 -4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.477 8.109 -4.304 1.00 0.00 H new ATOM 989 N ALA A 67 -8.473 6.315 -1.781 1.00 0.00 N ATOM 990 CA ALA A 67 -7.796 5.142 -1.244 1.00 0.00 C ATOM 991 C ALA A 67 -8.765 4.297 -0.432 1.00 0.00 C ATOM 992 O ALA A 67 -8.996 3.128 -0.743 1.00 0.00 O ATOM 993 CB ALA A 67 -6.609 5.560 -0.389 1.00 0.00 C ATOM 0 H ALA A 67 -8.090 7.207 -1.467 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.428 4.542 -2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.114 4.672 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.905 6.129 -0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.956 6.179 0.438 1.00 0.00 H new ATOM 999 N GLU A 68 -9.360 4.907 0.589 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.332 4.218 1.427 1.00 0.00 C ATOM 1001 C GLU A 68 -11.498 3.710 0.586 1.00 0.00 C ATOM 1002 O GLU A 68 -12.082 2.667 0.883 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.848 5.152 2.523 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.743 5.837 3.309 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.108 6.049 4.765 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -9.962 5.095 5.559 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -10.539 7.169 5.112 1.00 0.00 O ATOM 0 H GLU A 68 -9.185 5.876 0.855 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.838 3.365 1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.485 5.912 2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.472 4.581 3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.835 5.237 3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.520 6.800 2.850 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.853 4.471 -0.447 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.934 4.088 -1.343 1.00 0.00 C ATOM 1016 C GLU A 69 -12.604 2.777 -2.041 1.00 0.00 C ATOM 1017 O GLU A 69 -13.400 1.839 -2.039 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.185 5.186 -2.378 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.617 5.695 -2.390 1.00 0.00 C ATOM 1020 CD GLU A 69 -15.030 6.247 -3.740 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -14.647 5.651 -4.768 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -15.738 7.275 -3.768 1.00 0.00 O ATOM 0 H GLU A 69 -11.405 5.357 -0.682 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.839 3.952 -0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.513 6.021 -2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.936 4.804 -3.368 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.289 4.883 -2.113 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.728 6.473 -1.634 1.00 0.00 H new ATOM 1029 N SER A 70 -11.426 2.732 -2.654 1.00 0.00 N ATOM 1030 CA SER A 70 -10.965 1.538 -3.344 1.00 0.00 C ATOM 1031 C SER A 70 -10.777 0.393 -2.359 1.00 0.00 C ATOM 1032 O SER A 70 -10.785 -0.773 -2.742 1.00 0.00 O ATOM 1033 CB SER A 70 -9.651 1.818 -4.077 1.00 0.00 C ATOM 1034 OG SER A 70 -9.778 1.567 -5.467 1.00 0.00 O ATOM 0 H SER A 70 -10.772 3.514 -2.686 1.00 0.00 H new ATOM 0 HA SER A 70 -11.721 1.252 -4.075 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.356 2.855 -3.917 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.860 1.194 -3.662 1.00 0.00 H new ATOM 0 HG SER A 70 -8.926 1.755 -5.913 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.630 0.740 -1.083 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.434 -0.254 -0.035 1.00 0.00 C ATOM 1042 C LEU A 71 -11.730 -1.004 0.244 1.00 0.00 C ATOM 1043 O LEU A 71 -11.713 -2.162 0.660 1.00 0.00 O ATOM 1044 CB LEU A 71 -9.938 0.421 1.244 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.524 0.031 1.687 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.418 -1.475 1.880 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.496 0.519 0.677 1.00 0.00 C ATOM 0 H LEU A 71 -10.643 1.704 -0.751 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.685 -0.969 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.971 1.501 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.631 0.185 2.051 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.318 0.511 2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.406 -1.731 2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.127 -1.795 2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.644 -1.979 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.497 0.233 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.699 0.069 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.554 1.604 0.594 1.00 0.00 H new ATOM 1059 N SER A 72 -12.852 -0.335 0.001 1.00 0.00 N ATOM 1060 CA SER A 72 -14.164 -0.936 0.210 1.00 0.00 C ATOM 1061 C SER A 72 -14.369 -2.125 -0.723 1.00 0.00 C ATOM 1062 O SER A 72 -15.255 -2.953 -0.506 1.00 0.00 O ATOM 1063 CB SER A 72 -15.257 0.108 -0.018 1.00 0.00 C ATOM 1064 OG SER A 72 -16.354 -0.101 0.854 1.00 0.00 O ATOM 0 H SER A 72 -12.879 0.625 -0.341 1.00 0.00 H new ATOM 0 HA SER A 72 -14.221 -1.295 1.238 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.849 1.106 0.139 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.597 0.062 -1.053 1.00 0.00 H new ATOM 0 HG SER A 72 -17.038 0.581 0.688 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.537 -2.205 -1.756 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.625 -3.296 -2.711 1.00 0.00 C ATOM 1072 C GLY A 73 -12.282 -3.603 -3.341 1.00 0.00 C ATOM 1073 O GLY A 73 -12.204 -4.027 -4.493 1.00 0.00 O ATOM 0 H GLY A 73 -12.798 -1.529 -1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.004 -4.187 -2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.342 -3.039 -3.491 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.226 -3.376 -2.573 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.862 -3.594 -3.038 1.00 0.00 C ATOM 1079 C ILE A 74 -9.542 -5.090 -3.128 1.00 0.00 C ATOM 1080 O ILE A 74 -10.449 -5.920 -3.182 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.854 -2.879 -2.103 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.582 -2.501 -2.865 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.523 -3.735 -0.887 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -6.927 -1.238 -2.353 1.00 0.00 C ATOM 0 H ILE A 74 -11.289 -3.037 -1.613 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.773 -3.171 -4.039 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.324 -1.963 -1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.870 -3.323 -2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.824 -2.374 -3.920 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.814 -3.205 -0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.435 -3.936 -0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.083 -4.677 -1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.031 -1.030 -2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.623 -0.404 -2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.654 -1.369 -1.306 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.251 -5.420 -3.156 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.799 -6.805 -3.220 1.00 0.00 C ATOM 1098 C GLU A 75 -8.460 -7.641 -2.123 1.00 0.00 C ATOM 1099 O GLU A 75 -7.958 -7.732 -1.003 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.271 -6.842 -3.081 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.739 -5.944 -1.977 1.00 0.00 C ATOM 1102 CD GLU A 75 -4.763 -4.903 -2.489 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -3.914 -5.253 -3.336 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -4.844 -3.740 -2.041 1.00 0.00 O ATOM 0 H GLU A 75 -7.494 -4.737 -3.135 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.085 -7.233 -4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.957 -7.868 -2.887 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.821 -6.545 -4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.574 -5.443 -1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.247 -6.557 -1.221 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.608 -8.230 -2.457 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.358 -9.023 -1.497 1.00 0.00 C ATOM 1113 C GLY A 76 -9.580 -10.212 -0.971 1.00 0.00 C ATOM 1114 O GLY A 76 -9.847 -10.698 0.127 1.00 0.00 O ATOM 0 H GLY A 76 -10.033 -8.171 -3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.650 -8.389 -0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.277 -9.376 -1.965 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.615 -10.679 -1.754 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.792 -11.811 -1.352 1.00 0.00 C ATOM 1120 C VAL A 77 -6.608 -11.336 -0.532 1.00 0.00 C ATOM 1121 O VAL A 77 -6.178 -11.996 0.414 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.284 -12.601 -2.575 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.068 -11.937 -3.209 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -6.967 -14.037 -2.182 1.00 0.00 C ATOM 0 H VAL A 77 -8.384 -10.292 -2.669 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.414 -12.472 -0.748 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.079 -12.607 -3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.740 -12.523 -4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.332 -10.931 -3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.261 -11.881 -2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.610 -14.583 -3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.197 -14.042 -1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.868 -14.516 -1.798 1.00 0.00 H new ATOM 1134 N SER A 78 -6.111 -10.166 -0.890 1.00 0.00 N ATOM 1135 CA SER A 78 -4.977 -9.575 -0.212 1.00 0.00 C ATOM 1136 C SER A 78 -5.439 -8.577 0.838 1.00 0.00 C ATOM 1137 O SER A 78 -5.636 -7.401 0.540 1.00 0.00 O ATOM 1138 CB SER A 78 -4.065 -8.875 -1.224 1.00 0.00 C ATOM 1139 OG SER A 78 -3.016 -8.180 -0.571 1.00 0.00 O ATOM 0 H SER A 78 -6.482 -9.603 -1.655 1.00 0.00 H new ATOM 0 HA SER A 78 -4.421 -10.371 0.283 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.646 -9.611 -1.910 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.650 -8.177 -1.823 1.00 0.00 H new ATOM 0 HG SER A 78 -3.343 -7.309 -0.262 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.608 -9.040 2.071 1.00 0.00 N ATOM 1146 CA ASN A 79 -5.989 -8.130 3.144 1.00 0.00 C ATOM 1147 C ASN A 79 -4.777 -7.334 3.549 1.00 0.00 C ATOM 1148 O ASN A 79 -3.690 -7.880 3.738 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.562 -8.850 4.363 1.00 0.00 C ATOM 1150 CG ASN A 79 -7.521 -7.967 5.159 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -7.141 -6.704 5.414 1.00 0.00 O flip ATOM 1152 ND2 ASN A 79 -8.603 -8.413 5.541 1.00 0.00 N flip ATOM 0 H ASN A 79 -5.491 -10.015 2.349 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.779 -7.482 2.766 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.085 -9.750 4.039 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.746 -9.171 5.010 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.860 -9.377 5.330 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.242 -7.818 6.068 1.00 0.00 H new ATOM 1159 N ILE A 80 -4.964 -6.041 3.653 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.868 -5.153 3.931 1.00 0.00 C ATOM 1161 C ILE A 80 -3.821 -4.727 5.386 1.00 0.00 C ATOM 1162 O ILE A 80 -4.853 -4.550 6.034 1.00 0.00 O ATOM 1163 CB ILE A 80 -3.985 -3.895 3.068 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.240 -4.263 1.607 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.739 -3.051 3.204 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.501 -3.647 1.040 1.00 0.00 C ATOM 0 H ILE A 80 -5.869 -5.582 3.549 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.954 -5.702 3.703 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.836 -3.310 3.418 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.388 -3.945 1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.304 -5.348 1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.835 -2.159 2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.610 -2.758 4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.872 -3.627 2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.618 -3.951 -0.000 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.362 -3.985 1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.432 -2.561 1.095 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.608 -4.503 5.868 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.404 -3.948 7.185 1.00 0.00 C ATOM 1180 C GLU A 81 -2.471 -2.443 7.035 1.00 0.00 C ATOM 1181 O GLU A 81 -1.453 -1.750 7.020 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.055 -4.381 7.766 1.00 0.00 C ATOM 1183 CG GLU A 81 -0.842 -3.938 9.204 1.00 0.00 C ATOM 1184 CD GLU A 81 -1.030 -5.069 10.196 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -0.635 -6.210 9.878 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -1.571 -4.814 11.293 1.00 0.00 O ATOM 0 H GLU A 81 -1.748 -4.701 5.357 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.166 -4.306 7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.978 -5.467 7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.255 -3.975 7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.163 -3.530 9.310 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.539 -3.133 9.439 1.00 0.00 H new ATOM 1193 N VAL A 82 -3.686 -1.976 6.785 1.00 0.00 N ATOM 1194 CA VAL A 82 -3.939 -0.580 6.493 1.00 0.00 C ATOM 1195 C VAL A 82 -3.976 0.247 7.774 1.00 0.00 C ATOM 1196 O VAL A 82 -4.973 0.895 8.096 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.268 -0.443 5.718 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.568 1.017 5.407 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.222 -1.260 4.439 1.00 0.00 C ATOM 0 H VAL A 82 -4.523 -2.559 6.780 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.126 -0.199 5.875 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.070 -0.827 6.348 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.509 1.087 4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.646 1.579 6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.764 1.432 4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.166 -1.153 3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.406 -0.905 3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.061 -2.310 4.684 1.00 0.00 H new ATOM 1209 N THR A 83 -2.893 0.161 8.536 1.00 0.00 N ATOM 1210 CA THR A 83 -2.779 0.898 9.784 1.00 0.00 C ATOM 1211 C THR A 83 -1.431 1.608 9.903 1.00 0.00 C ATOM 1212 O THR A 83 -1.127 2.184 10.948 1.00 0.00 O ATOM 1213 CB THR A 83 -2.970 -0.047 10.971 1.00 0.00 C ATOM 1214 OG1 THR A 83 -3.923 -1.051 10.665 1.00 0.00 O ATOM 1215 CG2 THR A 83 -3.430 0.658 12.228 1.00 0.00 C ATOM 0 H THR A 83 -2.081 -0.413 8.310 1.00 0.00 H new ATOM 0 HA THR A 83 -3.560 1.658 9.789 1.00 0.00 H new ATOM 0 HB THR A 83 -1.987 -0.481 11.157 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.030 -1.646 11.436 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.546 -0.069 13.031 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.690 1.404 12.518 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.386 1.148 12.041 1.00 0.00 H new ATOM 1223 N ASP A 84 -0.584 1.500 8.877 1.00 0.00 N ATOM 1224 CA ASP A 84 0.732 2.116 8.934 1.00 0.00 C ATOM 1225 C ASP A 84 0.677 3.578 8.505 1.00 0.00 C ATOM 1226 O ASP A 84 -0.004 3.930 7.542 1.00 0.00 O ATOM 1227 CB ASP A 84 1.717 1.336 8.069 1.00 0.00 C ATOM 1228 CG ASP A 84 1.968 -0.064 8.596 1.00 0.00 C ATOM 1229 OD1 ASP A 84 1.028 -0.885 8.568 1.00 0.00 O ATOM 1230 OD2 ASP A 84 3.105 -0.337 9.036 1.00 0.00 O ATOM 0 H ASP A 84 -0.786 0.999 8.012 1.00 0.00 H new ATOM 0 HA ASP A 84 1.076 2.088 9.968 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.332 1.274 7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.662 1.878 8.021 1.00 0.00 H new ATOM 1235 N VAL A 85 1.410 4.421 9.224 1.00 0.00 N ATOM 1236 CA VAL A 85 1.441 5.848 8.937 1.00 0.00 C ATOM 1237 C VAL A 85 2.796 6.455 9.299 1.00 0.00 C ATOM 1238 O VAL A 85 3.523 5.922 10.138 1.00 0.00 O ATOM 1239 CB VAL A 85 0.326 6.587 9.702 1.00 0.00 C ATOM 1240 CG1 VAL A 85 0.688 6.745 11.173 1.00 0.00 C ATOM 1241 CG2 VAL A 85 0.041 7.939 9.065 1.00 0.00 C ATOM 0 H VAL A 85 1.992 4.138 10.012 1.00 0.00 H new ATOM 0 HA VAL A 85 1.278 5.967 7.866 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.581 5.986 9.643 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.115 7.270 11.691 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.827 5.761 11.621 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.611 7.318 11.261 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.749 8.444 9.621 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.945 8.548 9.085 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.277 7.795 8.032 1.00 0.00 H new ATOM 1251 N ARG A 86 3.127 7.572 8.657 1.00 0.00 N ATOM 1252 CA ARG A 86 4.393 8.254 8.898 1.00 0.00 C ATOM 1253 C ARG A 86 4.250 9.757 8.700 1.00 0.00 C ATOM 1254 O ARG A 86 4.520 10.278 7.621 1.00 0.00 O ATOM 1255 CB ARG A 86 5.472 7.712 7.963 1.00 0.00 C ATOM 1256 CG ARG A 86 6.131 6.445 8.471 1.00 0.00 C ATOM 1257 CD ARG A 86 7.644 6.511 8.332 1.00 0.00 C ATOM 1258 NE ARG A 86 8.309 5.420 9.041 1.00 0.00 N ATOM 1259 CZ ARG A 86 8.472 4.202 8.534 1.00 0.00 C ATOM 1260 NH1 ARG A 86 8.018 3.917 7.321 1.00 0.00 N ATOM 1261 NH2 ARG A 86 9.090 3.265 9.242 1.00 0.00 N ATOM 0 H ARG A 86 2.532 8.025 7.963 1.00 0.00 H new ATOM 0 HA ARG A 86 4.684 8.067 9.932 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.030 7.516 6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.235 8.477 7.820 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.867 6.290 9.517 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.750 5.588 7.916 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.913 6.474 7.276 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.002 7.465 8.718 1.00 0.00 H new ATOM 0 HE ARG A 86 8.668 5.603 9.978 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.542 4.634 6.773 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.145 2.981 6.936 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.440 3.479 10.176 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.215 2.331 8.852 1.00 0.00 H new ATOM 1275 N ARG A 87 3.818 10.446 9.746 1.00 0.00 N ATOM 1276 CA ARG A 87 3.635 11.891 9.685 1.00 0.00 C ATOM 1277 C ARG A 87 4.966 12.623 9.833 1.00 0.00 C ATOM 1278 O ARG A 87 5.367 12.978 10.942 1.00 0.00 O ATOM 1279 CB ARG A 87 2.666 12.346 10.778 1.00 0.00 C ATOM 1280 CG ARG A 87 1.243 11.854 10.572 1.00 0.00 C ATOM 1281 CD ARG A 87 0.249 13.003 10.584 1.00 0.00 C ATOM 1282 NE ARG A 87 -0.869 12.751 11.488 1.00 0.00 N ATOM 1283 CZ ARG A 87 -1.970 13.495 11.527 1.00 0.00 C ATOM 1284 NH1 ARG A 87 -2.101 14.535 10.714 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -2.942 13.199 12.380 1.00 0.00 N ATOM 0 H ARG A 87 3.587 10.029 10.648 1.00 0.00 H new ATOM 0 HA ARG A 87 3.218 12.136 8.708 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.028 11.992 11.743 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.663 13.435 10.819 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.175 11.322 9.623 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.986 11.141 11.356 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.758 13.919 10.884 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.130 13.165 9.575 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.802 11.958 12.127 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.356 14.766 10.057 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.947 15.104 10.746 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.845 12.400 13.007 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.786 13.770 12.409 1.00 0.00 H new ATOM 1299 N LEU A 88 5.647 12.854 8.712 1.00 0.00 N ATOM 1300 CA LEU A 88 6.924 13.564 8.734 1.00 0.00 C ATOM 1301 C LEU A 88 6.699 15.069 8.774 1.00 0.00 C ATOM 1302 O LEU A 88 6.577 15.711 7.728 1.00 0.00 O ATOM 1303 CB LEU A 88 7.782 13.219 7.516 1.00 0.00 C ATOM 1304 CG LEU A 88 7.262 12.081 6.641 1.00 0.00 C ATOM 1305 CD1 LEU A 88 7.980 12.088 5.300 1.00 0.00 C ATOM 1306 CD2 LEU A 88 7.442 10.751 7.349 1.00 0.00 C ATOM 0 H LEU A 88 5.339 12.563 7.784 1.00 0.00 H new ATOM 0 HA LEU A 88 7.452 13.247 9.633 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.880 14.112 6.899 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.783 12.959 7.861 1.00 0.00 H new ATOM 0 HG LEU A 88 6.197 12.226 6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.604 11.273 4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.801 13.038 4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.050 11.958 5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.067 9.948 6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.500 10.588 7.554 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.888 10.761 8.288 1.00 0.00 H new ATOM 1318 N MET A 89 6.648 15.626 9.979 1.00 0.00 N ATOM 1319 CA MET A 89 6.440 17.059 10.154 1.00 0.00 C ATOM 1320 C MET A 89 7.771 17.797 10.241 1.00 0.00 C ATOM 1321 O MET A 89 7.801 19.003 9.918 1.00 0.00 O ATOM 1322 CB MET A 89 5.614 17.328 11.412 1.00 0.00 C ATOM 1323 CG MET A 89 4.129 17.508 11.139 1.00 0.00 C ATOM 1324 SD MET A 89 3.110 17.153 12.583 1.00 0.00 S ATOM 1325 CE MET A 89 3.268 15.372 12.680 1.00 0.00 C ATOM 1326 OXT MET A 89 8.773 17.163 10.634 1.00 0.00 O ATOM 0 H MET A 89 6.748 15.106 10.851 1.00 0.00 H new ATOM 0 HA MET A 89 5.896 17.428 9.284 1.00 0.00 H new ATOM 0 HB2 MET A 89 5.749 16.501 12.109 1.00 0.00 H new ATOM 0 HB3 MET A 89 5.996 18.223 11.902 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.945 18.531 10.812 1.00 0.00 H new ATOM 0 HG3 MET A 89 3.832 16.853 10.320 1.00 0.00 H new ATOM 0 HE1 MET A 89 2.285 14.913 12.570 1.00 0.00 H new ATOM 0 HE2 MET A 89 3.924 15.021 11.883 1.00 0.00 H new ATOM 0 HE3 MET A 89 3.691 15.096 13.646 1.00 0.00 H new TER 1336 MET A 89