USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 597 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 7 THR OG1 : rot 180:sc= -0.66 USER MOD Single : A 9 LYS NZ :NH3+ -157:sc= -0.185 (180deg=-0.868) USER MOD Single : A 11 MET CE :methyl 177:sc= -1.61 (180deg=-1.66) USER MOD Single : A 14 SER OG : rot -170:sc= 0.0566 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= -1.17 K(o=-1.2,f=-0.16) USER MOD Single : A 34 THR OG1 : rot -130:sc= -1.24 USER MOD Single : A 37 HIS : no HD1:sc= -3.73! C(o=-3.7!,f=-6.3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -8.51! C(o=-8.5!,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 -59:sc= -0.0502 USER MOD Single : A 72 SER OG : rot -83:sc= 0.0131 USER MOD Single : A 78 SER OG : rot 180:sc= -1 USER MOD Single : A 79 ASN : amide:sc= -3.14! K(o=-3.1!,f=-0.8) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N VAL A 4 3.363 14.084 4.763 1.00 0.00 N ATOM 40 CA VAL A 4 2.489 13.087 5.371 1.00 0.00 C ATOM 41 C VAL A 4 2.545 11.781 4.582 1.00 0.00 C ATOM 42 O VAL A 4 1.933 11.663 3.522 1.00 0.00 O ATOM 43 CB VAL A 4 1.028 13.570 5.451 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.352 13.010 6.692 1.00 0.00 C ATOM 45 CG2 VAL A 4 0.960 15.091 5.437 1.00 0.00 C ATOM 0 HA VAL A 4 2.849 12.924 6.387 1.00 0.00 H new ATOM 0 HB VAL A 4 0.495 13.202 4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.679 13.360 6.734 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.364 11.921 6.653 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.886 13.347 7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.081 15.409 5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.508 15.488 6.292 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.404 15.467 4.515 1.00 0.00 H new ATOM 55 N VAL A 5 3.289 10.807 5.097 1.00 0.00 N ATOM 56 CA VAL A 5 3.448 9.532 4.408 1.00 0.00 C ATOM 57 C VAL A 5 2.626 8.426 5.065 1.00 0.00 C ATOM 58 O VAL A 5 2.791 8.135 6.248 1.00 0.00 O ATOM 59 CB VAL A 5 4.930 9.105 4.371 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.071 7.653 3.934 1.00 0.00 C ATOM 61 CG2 VAL A 5 5.724 10.023 3.454 1.00 0.00 C ATOM 0 H VAL A 5 3.788 10.876 5.984 1.00 0.00 H new ATOM 0 HA VAL A 5 3.086 9.679 3.391 1.00 0.00 H new ATOM 0 HB VAL A 5 5.333 9.190 5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.126 7.379 3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.540 7.009 4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.648 7.530 2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.767 9.708 3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.315 9.972 2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.659 11.048 3.820 1.00 0.00 H new ATOM 71 N ALA A 6 1.751 7.801 4.281 1.00 0.00 N ATOM 72 CA ALA A 6 0.946 6.683 4.767 1.00 0.00 C ATOM 73 C ALA A 6 1.590 5.367 4.352 1.00 0.00 C ATOM 74 O ALA A 6 2.441 5.350 3.467 1.00 0.00 O ATOM 75 CB ALA A 6 -0.476 6.772 4.230 1.00 0.00 C ATOM 0 H ALA A 6 1.581 8.050 3.306 1.00 0.00 H new ATOM 0 HA ALA A 6 0.901 6.729 5.855 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.059 5.930 4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.932 7.705 4.561 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.456 6.744 3.141 1.00 0.00 H new ATOM 81 N THR A 7 1.193 4.270 4.987 1.00 0.00 N ATOM 82 CA THR A 7 1.746 2.968 4.634 1.00 0.00 C ATOM 83 C THR A 7 0.675 1.884 4.635 1.00 0.00 C ATOM 84 O THR A 7 -0.001 1.637 5.647 1.00 0.00 O ATOM 85 CB THR A 7 2.894 2.585 5.559 1.00 0.00 C ATOM 86 OG1 THR A 7 3.760 3.686 5.774 1.00 0.00 O ATOM 87 CG2 THR A 7 3.723 1.439 5.020 1.00 0.00 C ATOM 0 H THR A 7 0.502 4.255 5.737 1.00 0.00 H new ATOM 0 HA THR A 7 2.138 3.051 3.620 1.00 0.00 H new ATOM 0 HB THR A 7 2.428 2.273 6.493 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.489 3.417 6.372 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.526 1.210 5.721 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.090 0.561 4.893 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.151 1.720 4.058 1.00 0.00 H new ATOM 95 N ILE A 8 0.557 1.232 3.484 1.00 0.00 N ATOM 96 CA ILE A 8 -0.440 0.200 3.255 1.00 0.00 C ATOM 97 C ILE A 8 0.229 -1.123 2.855 1.00 0.00 C ATOM 98 O ILE A 8 0.808 -1.227 1.775 1.00 0.00 O ATOM 99 CB ILE A 8 -1.399 0.668 2.155 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.866 2.089 2.480 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.572 -0.275 2.031 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.892 2.634 1.521 1.00 0.00 C ATOM 0 H ILE A 8 1.157 1.408 2.678 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.997 0.027 4.176 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.883 0.670 1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.283 2.101 3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.001 2.752 2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.240 0.076 1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.212 -1.273 1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.112 -0.310 2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.170 3.644 1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.474 2.657 0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.776 1.996 1.532 1.00 0.00 H new ATOM 114 N LYS A 9 0.225 -2.096 3.769 1.00 0.00 N ATOM 115 CA LYS A 9 0.895 -3.383 3.537 1.00 0.00 C ATOM 116 C LYS A 9 -0.071 -4.456 3.046 1.00 0.00 C ATOM 117 O LYS A 9 -0.708 -5.141 3.841 1.00 0.00 O ATOM 118 CB LYS A 9 1.574 -3.863 4.815 1.00 0.00 C ATOM 119 CG LYS A 9 1.733 -2.786 5.880 1.00 0.00 C ATOM 120 CD LYS A 9 3.184 -2.396 6.079 1.00 0.00 C ATOM 121 CE LYS A 9 3.941 -3.442 6.882 1.00 0.00 C ATOM 122 NZ LYS A 9 3.293 -3.715 8.196 1.00 0.00 N ATOM 0 H LYS A 9 -0.234 -2.020 4.677 1.00 0.00 H new ATOM 0 HA LYS A 9 1.639 -3.218 2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.997 -4.688 5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.558 -4.258 4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.157 -1.906 5.595 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.321 -3.145 6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.662 -2.266 5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.236 -1.435 6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.000 -4.367 6.308 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.964 -3.103 7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.996 -4.105 8.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.908 -2.830 8.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.522 -4.401 8.067 1.00 0.00 H new ATOM 136 N VAL A 10 -0.133 -4.637 1.738 1.00 0.00 N ATOM 137 CA VAL A 10 -1.058 -5.604 1.144 1.00 0.00 C ATOM 138 C VAL A 10 -0.408 -6.980 0.974 1.00 0.00 C ATOM 139 O VAL A 10 0.740 -7.087 0.548 1.00 0.00 O ATOM 140 CB VAL A 10 -1.607 -5.093 -0.214 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.385 -3.591 -0.347 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.991 -5.832 -1.395 1.00 0.00 C ATOM 0 H VAL A 10 0.442 -4.132 1.064 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.894 -5.713 1.835 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.678 -5.296 -0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.776 -3.249 -1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.902 -3.074 0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.318 -3.375 -0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.405 -5.441 -2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.090 -5.689 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.216 -6.896 -1.316 1.00 0.00 H new ATOM 152 N MET A 11 -1.152 -8.031 1.324 1.00 0.00 N ATOM 153 CA MET A 11 -0.643 -9.397 1.216 1.00 0.00 C ATOM 154 C MET A 11 -1.750 -10.379 0.802 1.00 0.00 C ATOM 155 O MET A 11 -2.800 -10.462 1.445 1.00 0.00 O ATOM 156 CB MET A 11 0.004 -9.832 2.544 1.00 0.00 C ATOM 157 CG MET A 11 -0.970 -10.401 3.566 1.00 0.00 C ATOM 158 SD MET A 11 -0.257 -11.738 4.541 1.00 0.00 S ATOM 159 CE MET A 11 -0.625 -13.151 3.505 1.00 0.00 C ATOM 0 H MET A 11 -2.104 -7.962 1.683 1.00 0.00 H new ATOM 0 HA MET A 11 0.117 -9.412 0.435 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.768 -10.581 2.333 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.512 -8.974 2.984 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.295 -9.604 4.234 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.858 -10.767 3.050 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.198 -14.050 3.950 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.705 -13.267 3.418 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.196 -12.998 2.515 1.00 0.00 H new ATOM 169 N PRO A 12 -1.524 -11.135 -0.293 1.00 0.00 N ATOM 170 CA PRO A 12 -2.490 -12.116 -0.806 1.00 0.00 C ATOM 171 C PRO A 12 -2.628 -13.322 0.117 1.00 0.00 C ATOM 172 O PRO A 12 -1.640 -13.976 0.450 1.00 0.00 O ATOM 173 CB PRO A 12 -1.901 -12.547 -2.160 1.00 0.00 C ATOM 174 CG PRO A 12 -0.817 -11.565 -2.455 1.00 0.00 C ATOM 175 CD PRO A 12 -0.317 -11.091 -1.124 1.00 0.00 C ATOM 0 HA PRO A 12 -3.491 -11.691 -0.884 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.508 -13.562 -2.111 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.662 -12.537 -2.940 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.016 -12.029 -3.030 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.195 -10.733 -3.049 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.468 -11.738 -0.732 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.098 -10.085 -1.182 1.00 0.00 H new ATOM 183 N GLU A 13 -3.858 -13.600 0.538 1.00 0.00 N ATOM 184 CA GLU A 13 -4.129 -14.724 1.427 1.00 0.00 C ATOM 185 C GLU A 13 -3.664 -16.041 0.818 1.00 0.00 C ATOM 186 O GLU A 13 -3.261 -16.958 1.533 1.00 0.00 O ATOM 187 CB GLU A 13 -5.622 -14.797 1.750 1.00 0.00 C ATOM 188 CG GLU A 13 -6.008 -14.035 3.007 1.00 0.00 C ATOM 189 CD GLU A 13 -5.987 -14.906 4.247 1.00 0.00 C ATOM 190 OE1 GLU A 13 -6.519 -16.036 4.189 1.00 0.00 O ATOM 191 OE2 GLU A 13 -5.439 -14.460 5.277 1.00 0.00 O ATOM 0 H GLU A 13 -4.684 -13.061 0.277 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.569 -14.561 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.188 -14.401 0.907 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.910 -15.842 1.865 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.324 -13.198 3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.005 -13.614 2.880 1.00 0.00 H new ATOM 198 N SER A 14 -3.739 -16.138 -0.506 1.00 0.00 N ATOM 199 CA SER A 14 -3.333 -17.351 -1.204 1.00 0.00 C ATOM 200 C SER A 14 -1.816 -17.445 -1.304 1.00 0.00 C ATOM 201 O SER A 14 -1.126 -16.427 -1.323 1.00 0.00 O ATOM 202 CB SER A 14 -3.944 -17.387 -2.607 1.00 0.00 C ATOM 203 OG SER A 14 -3.087 -16.769 -3.552 1.00 0.00 O ATOM 0 H SER A 14 -4.076 -15.393 -1.115 1.00 0.00 H new ATOM 0 HA SER A 14 -3.696 -18.203 -0.630 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.129 -18.420 -2.900 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.909 -16.880 -2.600 1.00 0.00 H new ATOM 0 HG SER A 14 -3.561 -16.663 -4.403 1.00 0.00 H new ATOM 209 N PRO A 15 -1.275 -18.674 -1.391 1.00 0.00 N ATOM 210 CA PRO A 15 0.167 -18.884 -1.520 1.00 0.00 C ATOM 211 C PRO A 15 0.685 -18.400 -2.868 1.00 0.00 C ATOM 212 O PRO A 15 1.885 -18.449 -3.142 1.00 0.00 O ATOM 213 CB PRO A 15 0.328 -20.399 -1.391 1.00 0.00 C ATOM 214 CG PRO A 15 -0.989 -20.957 -1.810 1.00 0.00 C ATOM 215 CD PRO A 15 -2.021 -19.946 -1.392 1.00 0.00 C ATOM 0 HA PRO A 15 0.734 -18.329 -0.773 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.134 -20.767 -2.026 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.572 -20.686 -0.368 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.018 -21.121 -2.887 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.173 -21.921 -1.336 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.861 -19.919 -2.087 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.429 -20.173 -0.407 1.00 0.00 H new ATOM 223 N ASP A 16 -0.235 -17.940 -3.711 1.00 0.00 N ATOM 224 CA ASP A 16 0.119 -17.414 -5.020 1.00 0.00 C ATOM 225 C ASP A 16 0.365 -15.916 -4.925 1.00 0.00 C ATOM 226 O ASP A 16 -0.088 -15.142 -5.767 1.00 0.00 O ATOM 227 CB ASP A 16 -0.991 -17.704 -6.033 1.00 0.00 C ATOM 228 CG ASP A 16 -0.774 -19.012 -6.767 1.00 0.00 C ATOM 229 OD1 ASP A 16 0.191 -19.098 -7.556 1.00 0.00 O ATOM 230 OD2 ASP A 16 -1.569 -19.952 -6.553 1.00 0.00 O ATOM 0 H ASP A 16 -1.234 -17.922 -3.507 1.00 0.00 H new ATOM 0 HA ASP A 16 1.031 -17.904 -5.360 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.951 -17.734 -5.518 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.042 -16.889 -6.755 1.00 0.00 H new ATOM 235 N VAL A 17 1.084 -15.522 -3.878 1.00 0.00 N ATOM 236 CA VAL A 17 1.380 -14.117 -3.622 1.00 0.00 C ATOM 237 C VAL A 17 2.281 -13.522 -4.709 1.00 0.00 C ATOM 238 O VAL A 17 3.481 -13.333 -4.502 1.00 0.00 O ATOM 239 CB VAL A 17 2.061 -13.935 -2.248 1.00 0.00 C ATOM 240 CG1 VAL A 17 2.474 -12.486 -2.029 1.00 0.00 C ATOM 241 CG2 VAL A 17 1.142 -14.405 -1.133 1.00 0.00 C ATOM 0 H VAL A 17 1.475 -16.163 -3.188 1.00 0.00 H new ATOM 0 HA VAL A 17 0.426 -13.589 -3.627 1.00 0.00 H new ATOM 0 HB VAL A 17 2.963 -14.546 -2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.951 -12.387 -1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.175 -12.186 -2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.592 -11.846 -2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.638 -14.270 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.221 -13.823 -1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.908 -15.460 -1.275 1.00 0.00 H new ATOM 251 N ASP A 18 1.705 -13.255 -5.875 1.00 0.00 N ATOM 252 CA ASP A 18 2.448 -12.629 -6.959 1.00 0.00 C ATOM 253 C ASP A 18 2.715 -11.167 -6.623 1.00 0.00 C ATOM 254 O ASP A 18 1.865 -10.309 -6.845 1.00 0.00 O ATOM 255 CB ASP A 18 1.675 -12.733 -8.273 1.00 0.00 C ATOM 256 CG ASP A 18 0.173 -12.699 -8.071 1.00 0.00 C ATOM 257 OD1 ASP A 18 -0.300 -11.867 -7.269 1.00 0.00 O ATOM 258 OD2 ASP A 18 -0.532 -13.504 -8.716 1.00 0.00 O ATOM 0 H ASP A 18 0.730 -13.462 -6.093 1.00 0.00 H new ATOM 0 HA ASP A 18 3.398 -13.150 -7.078 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.968 -11.913 -8.928 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.949 -13.659 -8.779 1.00 0.00 H new ATOM 263 N LEU A 19 3.869 -10.901 -6.023 1.00 0.00 N ATOM 264 CA LEU A 19 4.221 -9.547 -5.613 1.00 0.00 C ATOM 265 C LEU A 19 4.340 -8.610 -6.812 1.00 0.00 C ATOM 266 O LEU A 19 3.840 -7.487 -6.776 1.00 0.00 O ATOM 267 CB LEU A 19 5.523 -9.556 -4.801 1.00 0.00 C ATOM 268 CG LEU A 19 6.815 -9.490 -5.620 1.00 0.00 C ATOM 269 CD1 LEU A 19 7.399 -8.087 -5.576 1.00 0.00 C ATOM 270 CD2 LEU A 19 7.824 -10.507 -5.107 1.00 0.00 C ATOM 0 H LEU A 19 4.576 -11.604 -5.810 1.00 0.00 H new ATOM 0 HA LEU A 19 3.416 -9.170 -4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.507 -8.711 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.545 -10.461 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 19 6.581 -9.733 -6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.317 -8.056 -6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.680 -7.380 -5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.619 -7.817 -4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.736 -10.446 -5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.056 -10.295 -4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.404 -11.509 -5.189 1.00 0.00 H new ATOM 282 N GLU A 20 4.957 -9.090 -7.888 1.00 0.00 N ATOM 283 CA GLU A 20 5.142 -8.270 -9.080 1.00 0.00 C ATOM 284 C GLU A 20 3.812 -8.035 -9.768 1.00 0.00 C ATOM 285 O GLU A 20 3.554 -6.953 -10.294 1.00 0.00 O ATOM 286 CB GLU A 20 6.130 -8.933 -10.039 1.00 0.00 C ATOM 287 CG GLU A 20 6.093 -8.368 -11.452 1.00 0.00 C ATOM 288 CD GLU A 20 6.645 -9.334 -12.482 1.00 0.00 C ATOM 289 OE1 GLU A 20 6.306 -10.534 -12.411 1.00 0.00 O ATOM 290 OE2 GLU A 20 7.414 -8.890 -13.360 1.00 0.00 O ATOM 0 H GLU A 20 5.334 -10.035 -7.959 1.00 0.00 H new ATOM 0 HA GLU A 20 5.552 -7.306 -8.777 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.138 -8.822 -9.640 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.920 -10.002 -10.080 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.065 -8.115 -11.711 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.667 -7.442 -11.484 1.00 0.00 H new ATOM 297 N ALA A 21 2.958 -9.047 -9.747 1.00 0.00 N ATOM 298 CA ALA A 21 1.625 -8.903 -10.308 1.00 0.00 C ATOM 299 C ALA A 21 0.812 -7.960 -9.435 1.00 0.00 C ATOM 300 O ALA A 21 0.029 -7.148 -9.927 1.00 0.00 O ATOM 301 CB ALA A 21 0.939 -10.254 -10.434 1.00 0.00 C ATOM 0 H ALA A 21 3.161 -9.966 -9.353 1.00 0.00 H new ATOM 0 HA ALA A 21 1.703 -8.483 -11.311 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.057 -10.118 -10.856 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.525 -10.900 -11.087 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.856 -10.713 -9.449 1.00 0.00 H new ATOM 307 N LEU A 22 1.025 -8.075 -8.130 1.00 0.00 N ATOM 308 CA LEU A 22 0.368 -7.211 -7.162 1.00 0.00 C ATOM 309 C LEU A 22 0.867 -5.784 -7.316 1.00 0.00 C ATOM 310 O LEU A 22 0.168 -4.829 -6.984 1.00 0.00 O ATOM 311 CB LEU A 22 0.635 -7.710 -5.742 1.00 0.00 C ATOM 312 CG LEU A 22 -0.613 -7.985 -4.901 1.00 0.00 C ATOM 313 CD1 LEU A 22 -0.215 -8.451 -3.510 1.00 0.00 C ATOM 314 CD2 LEU A 22 -1.494 -6.747 -4.815 1.00 0.00 C ATOM 0 H LEU A 22 1.653 -8.764 -7.717 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.706 -7.232 -7.344 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.223 -8.626 -5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.247 -6.972 -5.224 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.187 -8.775 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.111 -8.644 -2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.372 -9.366 -3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.380 -7.678 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.375 -6.968 -4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.934 -5.933 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.805 -6.452 -5.817 1.00 0.00 H new ATOM 326 N LYS A 23 2.093 -5.657 -7.811 1.00 0.00 N ATOM 327 CA LYS A 23 2.708 -4.357 -8.027 1.00 0.00 C ATOM 328 C LYS A 23 1.831 -3.499 -8.929 1.00 0.00 C ATOM 329 O LYS A 23 1.577 -2.329 -8.638 1.00 0.00 O ATOM 330 CB LYS A 23 4.093 -4.530 -8.659 1.00 0.00 C ATOM 331 CG LYS A 23 5.247 -4.158 -7.742 1.00 0.00 C ATOM 332 CD LYS A 23 6.011 -5.382 -7.273 1.00 0.00 C ATOM 333 CE LYS A 23 7.501 -5.100 -7.176 1.00 0.00 C ATOM 334 NZ LYS A 23 8.170 -5.178 -8.504 1.00 0.00 N ATOM 0 H LYS A 23 2.683 -6.447 -8.072 1.00 0.00 H new ATOM 0 HA LYS A 23 2.815 -3.858 -7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.211 -5.568 -8.970 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.148 -3.919 -9.560 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.925 -3.485 -8.266 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.864 -3.615 -6.878 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.634 -5.697 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.839 -6.207 -7.964 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.656 -4.109 -6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.962 -5.815 -6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.185 -4.979 -8.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.045 -6.131 -8.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.748 -4.478 -9.147 1.00 0.00 H new ATOM 348 N LYS A 24 1.366 -4.092 -10.024 1.00 0.00 N ATOM 349 CA LYS A 24 0.505 -3.384 -10.964 1.00 0.00 C ATOM 350 C LYS A 24 -0.840 -3.064 -10.328 1.00 0.00 C ATOM 351 O LYS A 24 -1.402 -1.991 -10.550 1.00 0.00 O ATOM 352 CB LYS A 24 0.297 -4.207 -12.237 1.00 0.00 C ATOM 353 CG LYS A 24 1.435 -5.169 -12.543 1.00 0.00 C ATOM 354 CD LYS A 24 1.487 -5.523 -14.020 1.00 0.00 C ATOM 355 CE LYS A 24 0.878 -6.890 -14.286 1.00 0.00 C ATOM 356 NZ LYS A 24 1.554 -7.589 -15.414 1.00 0.00 N ATOM 0 H LYS A 24 1.570 -5.058 -10.281 1.00 0.00 H new ATOM 0 HA LYS A 24 0.999 -2.449 -11.229 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.629 -4.774 -12.144 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.172 -3.528 -13.080 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.382 -4.721 -12.242 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.312 -6.078 -11.955 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.953 -4.767 -14.596 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.522 -5.512 -14.362 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.949 -7.500 -13.386 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.182 -6.777 -14.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.109 -8.517 -15.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.465 -7.019 -16.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.561 -7.720 -15.188 1.00 0.00 H new ATOM 370 N GLU A 25 -1.366 -4.010 -9.555 1.00 0.00 N ATOM 371 CA GLU A 25 -2.641 -3.812 -8.876 1.00 0.00 C ATOM 372 C GLU A 25 -2.515 -2.706 -7.840 1.00 0.00 C ATOM 373 O GLU A 25 -3.463 -1.964 -7.580 1.00 0.00 O ATOM 374 CB GLU A 25 -3.097 -5.110 -8.208 1.00 0.00 C ATOM 375 CG GLU A 25 -3.748 -6.092 -9.170 1.00 0.00 C ATOM 376 CD GLU A 25 -4.977 -6.756 -8.582 1.00 0.00 C ATOM 377 OE1 GLU A 25 -4.828 -7.533 -7.616 1.00 0.00 O ATOM 378 OE2 GLU A 25 -6.090 -6.500 -9.089 1.00 0.00 O ATOM 0 H GLU A 25 -0.931 -4.917 -9.384 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.388 -3.521 -9.615 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.238 -5.589 -7.739 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.803 -4.871 -7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.025 -5.569 -10.085 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.023 -6.858 -9.447 1.00 0.00 H new ATOM 385 N ILE A 26 -1.335 -2.620 -7.237 1.00 0.00 N ATOM 386 CA ILE A 26 -1.044 -1.591 -6.250 1.00 0.00 C ATOM 387 C ILE A 26 -1.129 -0.216 -6.894 1.00 0.00 C ATOM 388 O ILE A 26 -1.622 0.739 -6.297 1.00 0.00 O ATOM 389 CB ILE A 26 0.353 -1.797 -5.623 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.253 -2.732 -4.415 1.00 0.00 C ATOM 391 CG2 ILE A 26 0.973 -0.468 -5.215 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.386 -3.730 -4.328 1.00 0.00 C ATOM 0 H ILE A 26 -0.559 -3.257 -7.418 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.785 -1.664 -5.454 1.00 0.00 H new ATOM 0 HB ILE A 26 1.000 -2.252 -6.373 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.235 -2.134 -3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.693 -3.272 -4.461 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.955 -0.644 -4.777 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.076 0.170 -6.093 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.332 0.023 -4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.250 -4.359 -3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.392 -4.353 -5.222 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.334 -3.198 -4.250 1.00 0.00 H new ATOM 404 N GLN A 27 -0.647 -0.132 -8.124 1.00 0.00 N ATOM 405 CA GLN A 27 -0.675 1.106 -8.877 1.00 0.00 C ATOM 406 C GLN A 27 -2.106 1.598 -9.048 1.00 0.00 C ATOM 407 O GLN A 27 -2.386 2.792 -8.932 1.00 0.00 O ATOM 408 CB GLN A 27 -0.040 0.874 -10.245 1.00 0.00 C ATOM 409 CG GLN A 27 0.958 1.942 -10.649 1.00 0.00 C ATOM 410 CD GLN A 27 0.358 3.333 -10.662 1.00 0.00 C ATOM 411 OE1 GLN A 27 -0.055 3.836 -11.708 1.00 0.00 O ATOM 412 NE2 GLN A 27 0.310 3.967 -9.495 1.00 0.00 N ATOM 0 H GLN A 27 -0.228 -0.917 -8.624 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.114 1.866 -8.333 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.460 -0.094 -10.243 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.828 0.824 -10.997 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.803 1.922 -9.960 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.349 1.711 -11.640 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.663 3.513 -8.653 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.080 4.908 -9.441 1.00 0.00 H new ATOM 421 N GLU A 28 -3.002 0.665 -9.345 1.00 0.00 N ATOM 422 CA GLU A 28 -4.407 0.986 -9.565 1.00 0.00 C ATOM 423 C GLU A 28 -5.138 1.257 -8.255 1.00 0.00 C ATOM 424 O GLU A 28 -6.200 1.878 -8.244 1.00 0.00 O ATOM 425 CB GLU A 28 -5.095 -0.159 -10.310 1.00 0.00 C ATOM 426 CG GLU A 28 -4.242 -0.759 -11.415 1.00 0.00 C ATOM 427 CD GLU A 28 -4.874 -1.989 -12.037 1.00 0.00 C ATOM 428 OE1 GLU A 28 -5.865 -1.837 -12.780 1.00 0.00 O ATOM 429 OE2 GLU A 28 -4.376 -3.106 -11.780 1.00 0.00 O ATOM 0 H GLU A 28 -2.779 -0.326 -9.440 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.446 1.895 -10.166 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.356 -0.941 -9.597 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.028 0.206 -10.739 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.077 -0.009 -12.189 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.264 -1.022 -11.012 1.00 0.00 H new ATOM 436 N ARG A 29 -4.579 0.765 -7.155 1.00 0.00 N ATOM 437 CA ARG A 29 -5.203 0.929 -5.847 1.00 0.00 C ATOM 438 C ARG A 29 -4.758 2.224 -5.174 1.00 0.00 C ATOM 439 O ARG A 29 -5.373 2.665 -4.203 1.00 0.00 O ATOM 440 CB ARG A 29 -4.881 -0.269 -4.955 1.00 0.00 C ATOM 441 CG ARG A 29 -3.519 -0.190 -4.293 1.00 0.00 C ATOM 442 CD ARG A 29 -3.322 -1.315 -3.291 1.00 0.00 C ATOM 443 NE ARG A 29 -2.185 -1.067 -2.412 1.00 0.00 N ATOM 444 CZ ARG A 29 -2.112 -0.042 -1.567 1.00 0.00 C ATOM 445 NH1 ARG A 29 -3.113 0.824 -1.475 1.00 0.00 N ATOM 446 NH2 ARG A 29 -1.037 0.113 -0.809 1.00 0.00 N ATOM 0 H ARG A 29 -3.698 0.251 -7.142 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.281 0.984 -5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.646 -0.351 -4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.932 -1.179 -5.552 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.740 -0.238 -5.054 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.413 0.771 -3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.225 -1.430 -2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.171 -2.254 -3.824 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.400 -1.717 -2.447 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.944 0.706 -2.054 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.051 1.608 -0.825 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.267 -0.553 -0.874 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.979 0.898 -0.161 1.00 0.00 H new ATOM 460 N ILE A 30 -3.682 2.820 -5.678 1.00 0.00 N ATOM 461 CA ILE A 30 -3.171 4.065 -5.108 1.00 0.00 C ATOM 462 C ILE A 30 -4.229 5.167 -5.167 1.00 0.00 C ATOM 463 O ILE A 30 -4.905 5.329 -6.184 1.00 0.00 O ATOM 464 CB ILE A 30 -1.900 4.552 -5.836 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.763 3.542 -5.654 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.488 5.935 -5.334 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.175 3.516 -4.258 1.00 0.00 C ATOM 0 H ILE A 30 -3.150 2.466 -6.473 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.919 3.852 -4.069 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.118 4.633 -6.901 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.133 2.547 -5.899 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.030 3.772 -6.366 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.590 6.260 -5.860 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.294 6.645 -5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.285 5.888 -4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.623 2.775 -4.213 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.228 4.499 -4.015 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.953 3.255 -3.540 1.00 0.00 H new ATOM 479 N PRO A 31 -4.373 5.958 -4.085 1.00 0.00 N ATOM 480 CA PRO A 31 -5.341 7.055 -4.027 1.00 0.00 C ATOM 481 C PRO A 31 -5.253 7.975 -5.237 1.00 0.00 C ATOM 482 O PRO A 31 -4.188 8.495 -5.568 1.00 0.00 O ATOM 483 CB PRO A 31 -4.966 7.818 -2.754 1.00 0.00 C ATOM 484 CG PRO A 31 -3.661 7.254 -2.312 1.00 0.00 C ATOM 485 CD PRO A 31 -3.618 5.851 -2.832 1.00 0.00 C ATOM 0 HA PRO A 31 -6.364 6.680 -4.024 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.884 8.887 -2.949 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.727 7.692 -1.984 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.830 7.841 -2.704 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.578 7.270 -1.225 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.596 5.511 -3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.078 5.146 -2.139 1.00 0.00 H new ATOM 493 N GLU A 32 -6.385 8.144 -5.903 1.00 0.00 N ATOM 494 CA GLU A 32 -6.478 8.996 -7.086 1.00 0.00 C ATOM 495 C GLU A 32 -6.120 10.448 -6.772 1.00 0.00 C ATOM 496 O GLU A 32 -6.089 11.292 -7.668 1.00 0.00 O ATOM 497 CB GLU A 32 -7.888 8.929 -7.676 1.00 0.00 C ATOM 498 CG GLU A 32 -8.080 7.796 -8.670 1.00 0.00 C ATOM 499 CD GLU A 32 -7.150 7.902 -9.862 1.00 0.00 C ATOM 500 OE1 GLU A 32 -7.343 8.820 -10.686 1.00 0.00 O ATOM 501 OE2 GLU A 32 -6.228 7.066 -9.974 1.00 0.00 O ATOM 0 H GLU A 32 -7.264 7.697 -5.642 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.757 8.623 -7.814 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.607 8.815 -6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.112 9.875 -8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.912 6.844 -8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.113 7.795 -9.019 1.00 0.00 H new ATOM 508 N GLY A 33 -5.860 10.739 -5.501 1.00 0.00 N ATOM 509 CA GLY A 33 -5.543 12.099 -5.104 1.00 0.00 C ATOM 510 C GLY A 33 -4.084 12.453 -5.316 1.00 0.00 C ATOM 511 O GLY A 33 -3.766 13.372 -6.071 1.00 0.00 O ATOM 0 H GLY A 33 -5.863 10.059 -4.741 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.165 12.792 -5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.794 12.233 -4.052 1.00 0.00 H new ATOM 515 N THR A 34 -3.196 11.739 -4.632 1.00 0.00 N ATOM 516 CA THR A 34 -1.765 11.999 -4.739 1.00 0.00 C ATOM 517 C THR A 34 -1.049 10.867 -5.472 1.00 0.00 C ATOM 518 O THR A 34 -1.602 10.260 -6.389 1.00 0.00 O ATOM 519 CB THR A 34 -1.159 12.184 -3.347 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.167 12.477 -2.396 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.129 13.291 -3.284 1.00 0.00 C ATOM 0 H THR A 34 -3.441 10.978 -3.999 1.00 0.00 H new ATOM 0 HA THR A 34 -1.632 12.914 -5.316 1.00 0.00 H new ATOM 0 HB THR A 34 -0.665 11.239 -3.119 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.906 13.265 -1.875 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.260 13.368 -2.269 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.688 13.067 -3.970 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.593 14.236 -3.568 1.00 0.00 H new ATOM 529 N GLU A 35 0.186 10.589 -5.058 1.00 0.00 N ATOM 530 CA GLU A 35 0.984 9.536 -5.668 1.00 0.00 C ATOM 531 C GLU A 35 1.604 8.648 -4.601 1.00 0.00 C ATOM 532 O GLU A 35 1.532 8.948 -3.408 1.00 0.00 O ATOM 533 CB GLU A 35 2.082 10.142 -6.544 1.00 0.00 C ATOM 534 CG GLU A 35 1.595 11.264 -7.448 1.00 0.00 C ATOM 535 CD GLU A 35 2.560 12.432 -7.501 1.00 0.00 C ATOM 536 OE1 GLU A 35 3.461 12.500 -6.638 1.00 0.00 O ATOM 537 OE2 GLU A 35 2.416 13.280 -8.406 1.00 0.00 O ATOM 0 H GLU A 35 0.654 11.083 -4.299 1.00 0.00 H new ATOM 0 HA GLU A 35 0.328 8.928 -6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.877 10.523 -5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.519 9.355 -7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.446 10.875 -8.455 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.625 11.615 -7.095 1.00 0.00 H new ATOM 544 N LEU A 36 2.217 7.559 -5.039 1.00 0.00 N ATOM 545 CA LEU A 36 2.840 6.614 -4.120 1.00 0.00 C ATOM 546 C LEU A 36 4.155 7.169 -3.571 1.00 0.00 C ATOM 547 O LEU A 36 4.502 8.325 -3.809 1.00 0.00 O ATOM 548 CB LEU A 36 3.088 5.274 -4.819 1.00 0.00 C ATOM 549 CG LEU A 36 3.477 5.368 -6.296 1.00 0.00 C ATOM 550 CD1 LEU A 36 4.481 4.283 -6.653 1.00 0.00 C ATOM 551 CD2 LEU A 36 2.242 5.264 -7.178 1.00 0.00 C ATOM 0 H LEU A 36 2.297 7.306 -6.024 1.00 0.00 H new ATOM 0 HA LEU A 36 2.158 6.458 -3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.878 4.746 -4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.186 4.667 -4.736 1.00 0.00 H new ATOM 0 HG LEU A 36 3.944 6.338 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.746 4.365 -7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.377 4.401 -6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.041 3.304 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.536 5.333 -8.225 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.748 4.308 -7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.555 6.076 -6.940 1.00 0.00 H new ATOM 563 N HIS A 37 4.872 6.334 -2.824 1.00 0.00 N ATOM 564 CA HIS A 37 6.140 6.725 -2.221 1.00 0.00 C ATOM 565 C HIS A 37 7.214 5.690 -2.506 1.00 0.00 C ATOM 566 O HIS A 37 8.090 5.889 -3.348 1.00 0.00 O ATOM 567 CB HIS A 37 5.966 6.863 -0.709 1.00 0.00 C ATOM 568 CG HIS A 37 7.229 7.194 0.022 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.745 8.468 0.028 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.036 6.387 0.755 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.846 8.411 0.756 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.062 7.169 1.215 1.00 0.00 N ATOM 0 H HIS A 37 4.592 5.374 -2.621 1.00 0.00 H new ATOM 0 HA HIS A 37 6.447 7.678 -2.651 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.228 7.640 -0.508 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.563 5.931 -0.313 1.00 0.00 H new ATOM 0 HD2 HIS A 37 7.897 5.332 0.940 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.489 9.255 0.956 1.00 0.00 H new ATOM 0 HE2 HIS A 37 9.843 6.865 1.797 1.00 0.00 H new ATOM 580 N LYS A 38 7.114 4.573 -1.803 1.00 0.00 N ATOM 581 CA LYS A 38 8.064 3.482 -1.939 1.00 0.00 C ATOM 582 C LYS A 38 7.494 2.217 -1.300 1.00 0.00 C ATOM 583 O LYS A 38 7.061 2.232 -0.147 1.00 0.00 O ATOM 584 CB LYS A 38 9.403 3.874 -1.298 1.00 0.00 C ATOM 585 CG LYS A 38 10.020 2.807 -0.406 1.00 0.00 C ATOM 586 CD LYS A 38 10.694 1.713 -1.220 1.00 0.00 C ATOM 587 CE LYS A 38 11.764 0.996 -0.412 1.00 0.00 C ATOM 588 NZ LYS A 38 13.010 0.789 -1.201 1.00 0.00 N ATOM 0 H LYS A 38 6.374 4.398 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 38 8.240 3.280 -2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.111 4.119 -2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.257 4.780 -0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.750 3.267 0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.247 2.368 0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.946 0.994 -1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.141 2.147 -2.114 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.993 1.575 0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.381 0.032 -0.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.714 0.297 -0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.797 0.215 -2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.390 1.710 -1.498 1.00 0.00 H new ATOM 602 N ILE A 39 7.454 1.138 -2.075 1.00 0.00 N ATOM 603 CA ILE A 39 6.882 -0.117 -1.606 1.00 0.00 C ATOM 604 C ILE A 39 7.940 -1.028 -0.989 1.00 0.00 C ATOM 605 O ILE A 39 9.125 -0.933 -1.315 1.00 0.00 O ATOM 606 CB ILE A 39 6.164 -0.858 -2.745 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.376 0.146 -3.598 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.247 -1.928 -2.173 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.347 -0.487 -4.511 1.00 0.00 C ATOM 0 H ILE A 39 7.811 1.108 -3.030 1.00 0.00 H new ATOM 0 HA ILE A 39 6.157 0.138 -0.833 1.00 0.00 H new ATOM 0 HB ILE A 39 6.900 -1.349 -3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.873 0.851 -2.937 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.077 0.721 -4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.742 -2.448 -2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.836 -2.642 -1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.505 -1.462 -1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.836 0.291 -5.078 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.843 -1.171 -5.200 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.620 -1.038 -3.914 1.00 0.00 H new ATOM 621 N ASP A 40 7.501 -1.906 -0.090 1.00 0.00 N ATOM 622 CA ASP A 40 8.404 -2.821 0.599 1.00 0.00 C ATOM 623 C ASP A 40 8.020 -4.275 0.353 1.00 0.00 C ATOM 624 O ASP A 40 6.870 -4.657 0.534 1.00 0.00 O ATOM 625 CB ASP A 40 8.375 -2.546 2.100 1.00 0.00 C ATOM 626 CG ASP A 40 9.756 -2.568 2.726 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.745 -2.733 1.979 1.00 0.00 O ATOM 628 OD2 ASP A 40 9.850 -2.419 3.962 1.00 0.00 O ATOM 0 H ASP A 40 6.522 -2.002 0.178 1.00 0.00 H new ATOM 0 HA ASP A 40 9.407 -2.656 0.205 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.915 -1.574 2.278 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.747 -3.290 2.589 1.00 0.00 H new ATOM 633 N GLU A 41 8.991 -5.081 -0.054 1.00 0.00 N ATOM 634 CA GLU A 41 8.756 -6.503 -0.278 1.00 0.00 C ATOM 635 C GLU A 41 9.009 -7.287 1.005 1.00 0.00 C ATOM 636 O GLU A 41 10.002 -8.004 1.121 1.00 0.00 O ATOM 637 CB GLU A 41 9.656 -7.024 -1.401 1.00 0.00 C ATOM 638 CG GLU A 41 9.577 -6.203 -2.678 1.00 0.00 C ATOM 639 CD GLU A 41 10.945 -5.840 -3.224 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.678 -5.096 -2.541 1.00 0.00 O ATOM 641 OE2 GLU A 41 11.280 -6.299 -4.336 1.00 0.00 O ATOM 0 H GLU A 41 9.947 -4.777 -0.236 1.00 0.00 H new ATOM 0 HA GLU A 41 7.716 -6.640 -0.575 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.688 -7.037 -1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.383 -8.055 -1.625 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.026 -6.764 -3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.013 -5.290 -2.484 1.00 0.00 H new ATOM 648 N GLU A 42 8.130 -7.107 1.986 1.00 0.00 N ATOM 649 CA GLU A 42 8.283 -7.767 3.275 1.00 0.00 C ATOM 650 C GLU A 42 7.391 -8.994 3.385 1.00 0.00 C ATOM 651 O GLU A 42 6.309 -9.034 2.812 1.00 0.00 O ATOM 652 CB GLU A 42 7.987 -6.788 4.407 1.00 0.00 C ATOM 653 CG GLU A 42 9.240 -6.253 5.080 1.00 0.00 C ATOM 654 CD GLU A 42 10.464 -6.301 4.183 1.00 0.00 C ATOM 655 OE1 GLU A 42 10.531 -5.500 3.227 1.00 0.00 O ATOM 656 OE2 GLU A 42 11.352 -7.141 4.436 1.00 0.00 O ATOM 0 H GLU A 42 7.306 -6.510 1.912 1.00 0.00 H new ATOM 0 HA GLU A 42 9.317 -8.103 3.358 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.409 -5.952 4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.365 -7.283 5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.066 -5.223 5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.436 -6.831 5.983 1.00 0.00 H new ATOM 663 N PRO A 43 7.841 -10.018 4.131 1.00 0.00 N ATOM 664 CA PRO A 43 7.113 -11.268 4.283 1.00 0.00 C ATOM 665 C PRO A 43 6.169 -11.271 5.477 1.00 0.00 C ATOM 666 O PRO A 43 6.353 -10.521 6.436 1.00 0.00 O ATOM 667 CB PRO A 43 8.228 -12.299 4.475 1.00 0.00 C ATOM 668 CG PRO A 43 9.460 -11.529 4.871 1.00 0.00 C ATOM 669 CD PRO A 43 9.117 -10.059 4.846 1.00 0.00 C ATOM 0 HA PRO A 43 6.466 -11.463 3.428 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.959 -13.022 5.245 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.400 -12.860 3.556 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.792 -11.826 5.866 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.280 -11.741 4.184 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.026 -9.651 5.853 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.883 -9.477 4.334 1.00 0.00 H new ATOM 677 N ILE A 44 5.153 -12.125 5.401 1.00 0.00 N ATOM 678 CA ILE A 44 4.150 -12.231 6.453 1.00 0.00 C ATOM 679 C ILE A 44 4.017 -13.671 6.941 1.00 0.00 C ATOM 680 O ILE A 44 4.604 -14.049 7.954 1.00 0.00 O ATOM 681 CB ILE A 44 2.778 -11.730 5.963 1.00 0.00 C ATOM 682 CG1 ILE A 44 2.960 -10.556 4.994 1.00 0.00 C ATOM 683 CG2 ILE A 44 1.904 -11.328 7.142 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.598 -9.336 5.629 1.00 0.00 C ATOM 0 H ILE A 44 5.003 -12.758 4.615 1.00 0.00 H new ATOM 0 HA ILE A 44 4.483 -11.604 7.280 1.00 0.00 H new ATOM 0 HB ILE A 44 2.278 -12.541 5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.574 -10.881 4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.988 -10.277 4.588 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.939 -10.977 6.777 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.754 -12.189 7.794 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.392 -10.530 7.702 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.695 -8.547 4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.974 -8.985 6.451 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.585 -9.598 6.010 1.00 0.00 H new ATOM 696 N ALA A 45 3.241 -14.469 6.211 1.00 0.00 N ATOM 697 CA ALA A 45 3.040 -15.871 6.561 1.00 0.00 C ATOM 698 C ALA A 45 4.332 -16.668 6.387 1.00 0.00 C ATOM 699 O ALA A 45 5.430 -16.122 6.502 1.00 0.00 O ATOM 700 CB ALA A 45 1.924 -16.466 5.718 1.00 0.00 C ATOM 0 H ALA A 45 2.742 -14.168 5.374 1.00 0.00 H new ATOM 0 HA ALA A 45 2.752 -15.926 7.611 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.783 -17.513 5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.000 -15.917 5.898 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.188 -16.396 4.663 1.00 0.00 H new ATOM 706 N PHE A 46 4.196 -17.960 6.102 1.00 0.00 N ATOM 707 CA PHE A 46 5.355 -18.822 5.909 1.00 0.00 C ATOM 708 C PHE A 46 6.048 -18.508 4.587 1.00 0.00 C ATOM 709 O PHE A 46 7.260 -18.678 4.455 1.00 0.00 O ATOM 710 CB PHE A 46 4.933 -20.293 5.942 1.00 0.00 C ATOM 711 CG PHE A 46 4.982 -20.901 7.315 1.00 0.00 C ATOM 712 CD1 PHE A 46 4.115 -20.473 8.307 1.00 0.00 C ATOM 713 CD2 PHE A 46 5.893 -21.902 7.612 1.00 0.00 C ATOM 714 CE1 PHE A 46 4.158 -21.030 9.572 1.00 0.00 C ATOM 715 CE2 PHE A 46 5.940 -22.464 8.874 1.00 0.00 C ATOM 716 CZ PHE A 46 5.072 -22.026 9.855 1.00 0.00 C ATOM 0 H PHE A 46 3.297 -18.431 6.000 1.00 0.00 H new ATOM 0 HA PHE A 46 6.058 -18.636 6.721 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.919 -20.381 5.551 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.582 -20.864 5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.397 -19.696 8.090 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.574 -22.247 6.848 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.478 -20.687 10.337 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.654 -23.244 9.093 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.108 -22.462 10.842 1.00 0.00 H new ATOM 726 N GLY A 47 5.274 -18.026 3.619 1.00 0.00 N ATOM 727 CA GLY A 47 5.832 -17.691 2.322 1.00 0.00 C ATOM 728 C GLY A 47 5.068 -16.585 1.617 1.00 0.00 C ATOM 729 O GLY A 47 5.365 -16.255 0.468 1.00 0.00 O ATOM 0 H GLY A 47 4.271 -17.862 3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.871 -17.385 2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.835 -18.581 1.693 1.00 0.00 H new ATOM 733 N LEU A 48 4.079 -16.013 2.298 1.00 0.00 N ATOM 734 CA LEU A 48 3.274 -14.941 1.720 1.00 0.00 C ATOM 735 C LEU A 48 3.867 -13.574 2.050 1.00 0.00 C ATOM 736 O LEU A 48 3.718 -13.072 3.163 1.00 0.00 O ATOM 737 CB LEU A 48 1.828 -15.025 2.219 1.00 0.00 C ATOM 738 CG LEU A 48 1.209 -16.431 2.232 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.312 -16.345 2.261 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.670 -17.244 1.031 1.00 0.00 C ATOM 0 H LEU A 48 3.816 -16.273 3.249 1.00 0.00 H new ATOM 0 HA LEU A 48 3.279 -15.064 0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.788 -14.621 3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.209 -14.381 1.594 1.00 0.00 H new ATOM 0 HG LEU A 48 1.548 -16.938 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.733 -17.350 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.629 -15.811 3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.663 -15.812 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.216 -18.234 1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.369 -16.739 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.755 -17.341 1.052 1.00 0.00 H new ATOM 752 N VAL A 49 4.527 -12.973 1.064 1.00 0.00 N ATOM 753 CA VAL A 49 5.171 -11.677 1.242 1.00 0.00 C ATOM 754 C VAL A 49 4.244 -10.528 0.853 1.00 0.00 C ATOM 755 O VAL A 49 3.740 -10.474 -0.268 1.00 0.00 O ATOM 756 CB VAL A 49 6.465 -11.590 0.404 1.00 0.00 C ATOM 757 CG1 VAL A 49 6.960 -10.153 0.288 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.542 -12.484 0.995 1.00 0.00 C ATOM 0 H VAL A 49 4.630 -13.366 0.129 1.00 0.00 H new ATOM 0 HA VAL A 49 5.414 -11.585 2.301 1.00 0.00 H new ATOM 0 HB VAL A 49 6.235 -11.940 -0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.872 -10.129 -0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.196 -9.543 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.166 -9.758 1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.447 -12.411 0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.759 -12.167 2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.194 -13.517 1.002 1.00 0.00 H new ATOM 768 N ALA A 50 4.108 -9.565 1.757 1.00 0.00 N ATOM 769 CA ALA A 50 3.278 -8.396 1.520 1.00 0.00 C ATOM 770 C ALA A 50 4.106 -7.235 0.989 1.00 0.00 C ATOM 771 O ALA A 50 5.334 -7.241 1.070 1.00 0.00 O ATOM 772 CB ALA A 50 2.595 -7.968 2.807 1.00 0.00 C ATOM 0 H ALA A 50 4.567 -9.574 2.668 1.00 0.00 H new ATOM 0 HA ALA A 50 2.529 -8.666 0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.976 -7.091 2.616 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.969 -8.781 3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.349 -7.724 3.555 1.00 0.00 H new ATOM 778 N LEU A 51 3.417 -6.232 0.466 1.00 0.00 N ATOM 779 CA LEU A 51 4.068 -5.045 -0.058 1.00 0.00 C ATOM 780 C LEU A 51 3.590 -3.808 0.691 1.00 0.00 C ATOM 781 O LEU A 51 2.399 -3.494 0.696 1.00 0.00 O ATOM 782 CB LEU A 51 3.781 -4.901 -1.554 1.00 0.00 C ATOM 783 CG LEU A 51 4.739 -5.663 -2.472 1.00 0.00 C ATOM 784 CD1 LEU A 51 4.618 -7.161 -2.241 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.468 -5.322 -3.929 1.00 0.00 C ATOM 0 H LEU A 51 2.400 -6.219 0.394 1.00 0.00 H new ATOM 0 HA LEU A 51 5.144 -5.145 0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.765 -5.244 -1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.815 -3.843 -1.815 1.00 0.00 H new ATOM 0 HG LEU A 51 5.759 -5.360 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.306 -7.688 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.864 -7.390 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.597 -7.480 -2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.159 -5.874 -4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.444 -5.596 -4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.607 -4.252 -4.084 1.00 0.00 H new ATOM 797 N ASN A 52 4.523 -3.111 1.325 1.00 0.00 N ATOM 798 CA ASN A 52 4.197 -1.912 2.083 1.00 0.00 C ATOM 799 C ASN A 52 4.271 -0.693 1.180 1.00 0.00 C ATOM 800 O ASN A 52 5.325 -0.074 1.028 1.00 0.00 O ATOM 801 CB ASN A 52 5.152 -1.754 3.268 1.00 0.00 C ATOM 802 CG ASN A 52 5.519 -3.082 3.907 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.606 -3.234 4.465 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.610 -4.049 3.838 1.00 0.00 N ATOM 0 H ASN A 52 5.513 -3.356 1.329 1.00 0.00 H new ATOM 0 HA ASN A 52 3.182 -2.005 2.469 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.060 -1.254 2.933 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.691 -1.110 4.017 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.801 -4.959 4.257 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.722 -3.881 3.366 1.00 0.00 H new ATOM 811 N VAL A 53 3.137 -0.366 0.580 1.00 0.00 N ATOM 812 CA VAL A 53 3.051 0.740 -0.357 1.00 0.00 C ATOM 813 C VAL A 53 2.782 2.060 0.353 1.00 0.00 C ATOM 814 O VAL A 53 1.635 2.400 0.644 1.00 0.00 O ATOM 815 CB VAL A 53 1.939 0.501 -1.395 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.055 1.493 -2.542 1.00 0.00 C ATOM 817 CG2 VAL A 53 1.986 -0.930 -1.909 1.00 0.00 C ATOM 0 H VAL A 53 2.256 -0.858 0.729 1.00 0.00 H new ATOM 0 HA VAL A 53 4.016 0.798 -0.860 1.00 0.00 H new ATOM 0 HB VAL A 53 0.975 0.656 -0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.261 1.308 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.965 2.508 -2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.023 1.375 -3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.193 -1.080 -2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.952 -1.117 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.847 -1.620 -1.077 1.00 0.00 H new ATOM 827 N MET A 54 3.843 2.826 0.565 1.00 0.00 N ATOM 828 CA MET A 54 3.734 4.128 1.204 1.00 0.00 C ATOM 829 C MET A 54 3.375 5.188 0.173 1.00 0.00 C ATOM 830 O MET A 54 3.498 4.960 -1.029 1.00 0.00 O ATOM 831 CB MET A 54 5.050 4.491 1.895 1.00 0.00 C ATOM 832 CG MET A 54 5.518 3.448 2.897 1.00 0.00 C ATOM 833 SD MET A 54 7.242 3.666 3.372 1.00 0.00 S ATOM 834 CE MET A 54 7.610 2.052 4.058 1.00 0.00 C ATOM 0 H MET A 54 4.793 2.566 0.302 1.00 0.00 H new ATOM 0 HA MET A 54 2.945 4.084 1.955 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.822 4.628 1.138 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.931 5.446 2.406 1.00 0.00 H new ATOM 0 HG2 MET A 54 4.891 3.498 3.787 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.386 2.454 2.469 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.645 2.029 4.398 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.947 1.855 4.901 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.462 1.289 3.294 1.00 0.00 H new ATOM 844 N VAL A 55 2.896 6.335 0.645 1.00 0.00 N ATOM 845 CA VAL A 55 2.486 7.410 -0.250 1.00 0.00 C ATOM 846 C VAL A 55 2.925 8.776 0.276 1.00 0.00 C ATOM 847 O VAL A 55 2.792 9.068 1.464 1.00 0.00 O ATOM 848 CB VAL A 55 0.955 7.404 -0.457 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.462 5.997 -0.749 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.236 7.977 0.755 1.00 0.00 C ATOM 0 H VAL A 55 2.783 6.543 1.637 1.00 0.00 H new ATOM 0 HA VAL A 55 2.977 7.233 -1.207 1.00 0.00 H new ATOM 0 HB VAL A 55 0.730 8.038 -1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.618 6.012 -0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.942 5.624 -1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.708 5.344 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.840 7.960 0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.471 7.377 1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.561 9.004 0.919 1.00 0.00 H new ATOM 860 N VAL A 56 3.477 9.599 -0.613 1.00 0.00 N ATOM 861 CA VAL A 56 3.924 10.937 -0.236 1.00 0.00 C ATOM 862 C VAL A 56 2.864 11.984 -0.565 1.00 0.00 C ATOM 863 O VAL A 56 2.573 12.238 -1.733 1.00 0.00 O ATOM 864 CB VAL A 56 5.240 11.330 -0.943 1.00 0.00 C ATOM 865 CG1 VAL A 56 6.239 11.882 0.061 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.830 10.148 -1.696 1.00 0.00 C ATOM 0 H VAL A 56 3.625 9.364 -1.595 1.00 0.00 H new ATOM 0 HA VAL A 56 4.096 10.909 0.840 1.00 0.00 H new ATOM 0 HB VAL A 56 5.014 12.110 -1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.160 12.154 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.820 12.764 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.455 11.124 0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.756 10.453 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.038 9.338 -0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.120 9.804 -2.448 1.00 0.00 H new ATOM 876 N VAL A 57 2.299 12.598 0.471 1.00 0.00 N ATOM 877 CA VAL A 57 1.287 13.632 0.280 1.00 0.00 C ATOM 878 C VAL A 57 1.627 14.883 1.085 1.00 0.00 C ATOM 879 O VAL A 57 2.164 14.797 2.189 1.00 0.00 O ATOM 880 CB VAL A 57 -0.123 13.135 0.668 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.401 11.778 0.038 1.00 0.00 C ATOM 882 CG2 VAL A 57 -0.288 13.067 2.180 1.00 0.00 C ATOM 0 H VAL A 57 2.523 12.399 1.446 1.00 0.00 H new ATOM 0 HA VAL A 57 1.283 13.878 -0.782 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.849 13.852 0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.399 11.443 0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.341 11.862 -1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.337 11.056 0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.291 12.714 2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.449 12.380 2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.140 14.059 2.607 1.00 0.00 H new ATOM 892 N GLY A 58 1.327 16.047 0.516 1.00 0.00 N ATOM 893 CA GLY A 58 1.615 17.299 1.191 1.00 0.00 C ATOM 894 C GLY A 58 0.957 18.485 0.516 1.00 0.00 C ATOM 895 O GLY A 58 0.069 19.118 1.087 1.00 0.00 O ATOM 0 H GLY A 58 0.890 16.145 -0.400 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.274 17.238 2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.694 17.453 1.220 1.00 0.00 H new ATOM 899 N ASP A 59 1.391 18.785 -0.705 1.00 0.00 N ATOM 900 CA ASP A 59 0.831 19.898 -1.461 1.00 0.00 C ATOM 901 C ASP A 59 -0.478 19.492 -2.124 1.00 0.00 C ATOM 902 O ASP A 59 -1.189 20.325 -2.686 1.00 0.00 O ATOM 903 CB ASP A 59 1.827 20.378 -2.520 1.00 0.00 C ATOM 904 CG ASP A 59 1.995 19.382 -3.650 1.00 0.00 C ATOM 905 OD1 ASP A 59 2.102 18.171 -3.365 1.00 0.00 O ATOM 906 OD2 ASP A 59 2.018 19.813 -4.822 1.00 0.00 O ATOM 0 H ASP A 59 2.128 18.273 -1.190 1.00 0.00 H new ATOM 0 HA ASP A 59 0.632 20.715 -0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.489 21.331 -2.927 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.794 20.557 -2.050 1.00 0.00 H new ATOM 911 N ALA A 60 -0.786 18.202 -2.052 1.00 0.00 N ATOM 912 CA ALA A 60 -2.011 17.669 -2.630 1.00 0.00 C ATOM 913 C ALA A 60 -3.242 18.173 -1.878 1.00 0.00 C ATOM 914 O ALA A 60 -3.260 19.300 -1.381 1.00 0.00 O ATOM 915 CB ALA A 60 -1.964 16.150 -2.626 1.00 0.00 C ATOM 0 H ALA A 60 -0.199 17.503 -1.596 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.088 18.019 -3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.883 15.756 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.111 15.811 -3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.864 15.792 -1.601 1.00 0.00 H new ATOM 921 N GLU A 61 -4.266 17.328 -1.789 1.00 0.00 N ATOM 922 CA GLU A 61 -5.498 17.687 -1.097 1.00 0.00 C ATOM 923 C GLU A 61 -6.129 16.462 -0.448 1.00 0.00 C ATOM 924 O GLU A 61 -5.486 15.422 -0.306 1.00 0.00 O ATOM 925 CB GLU A 61 -6.489 18.326 -2.074 1.00 0.00 C ATOM 926 CG GLU A 61 -6.301 17.880 -3.516 1.00 0.00 C ATOM 927 CD GLU A 61 -6.522 19.004 -4.508 1.00 0.00 C ATOM 928 OE1 GLU A 61 -5.882 20.066 -4.355 1.00 0.00 O ATOM 929 OE2 GLU A 61 -7.334 18.824 -5.440 1.00 0.00 O ATOM 0 H GLU A 61 -4.266 16.389 -2.188 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.252 18.407 -0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.504 18.085 -1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.388 19.410 -2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.294 17.483 -3.641 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.993 17.067 -3.734 1.00 0.00 H new ATOM 936 N GLY A 62 -7.398 16.586 -0.073 1.00 0.00 N ATOM 937 CA GLY A 62 -8.100 15.471 0.530 1.00 0.00 C ATOM 938 C GLY A 62 -8.599 14.497 -0.516 1.00 0.00 C ATOM 939 O GLY A 62 -9.417 13.624 -0.228 1.00 0.00 O ATOM 0 H GLY A 62 -7.951 17.437 -0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.436 14.954 1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.942 15.843 1.113 1.00 0.00 H new ATOM 943 N GLY A 63 -8.092 14.650 -1.737 1.00 0.00 N ATOM 944 CA GLY A 63 -8.488 13.777 -2.826 1.00 0.00 C ATOM 945 C GLY A 63 -7.957 12.368 -2.663 1.00 0.00 C ATOM 946 O GLY A 63 -8.293 11.478 -3.444 1.00 0.00 O ATOM 0 H GLY A 63 -7.412 15.366 -1.991 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.576 13.747 -2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.128 14.191 -3.768 1.00 0.00 H new ATOM 950 N THR A 64 -7.130 12.160 -1.642 1.00 0.00 N ATOM 951 CA THR A 64 -6.571 10.840 -1.376 1.00 0.00 C ATOM 952 C THR A 64 -7.628 9.931 -0.769 1.00 0.00 C ATOM 953 O THR A 64 -7.393 8.743 -0.554 1.00 0.00 O ATOM 954 CB THR A 64 -5.364 10.935 -0.441 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.765 10.788 0.910 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.612 12.242 -0.559 1.00 0.00 C ATOM 0 H THR A 64 -6.834 12.885 -0.989 1.00 0.00 H new ATOM 0 HA THR A 64 -6.239 10.417 -2.324 1.00 0.00 H new ATOM 0 HB THR A 64 -4.699 10.127 -0.747 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.980 10.850 1.493 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.769 12.240 0.132 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.245 12.360 -1.579 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.279 13.069 -0.316 1.00 0.00 H new ATOM 964 N GLU A 65 -8.794 10.507 -0.495 1.00 0.00 N ATOM 965 CA GLU A 65 -9.918 9.754 0.045 1.00 0.00 C ATOM 966 C GLU A 65 -10.236 8.572 -0.854 1.00 0.00 C ATOM 967 O GLU A 65 -10.816 7.576 -0.421 1.00 0.00 O ATOM 968 CB GLU A 65 -11.143 10.655 0.151 1.00 0.00 C ATOM 969 CG GLU A 65 -11.486 11.371 -1.145 1.00 0.00 C ATOM 970 CD GLU A 65 -12.956 11.731 -1.242 1.00 0.00 C ATOM 971 OE1 GLU A 65 -13.532 12.158 -0.219 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.531 11.585 -2.341 1.00 0.00 O ATOM 0 H GLU A 65 -8.985 11.499 -0.639 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.650 9.388 1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.998 10.056 0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.972 11.396 0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.888 12.279 -1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.215 10.737 -1.989 1.00 0.00 H new ATOM 979 N ALA A 66 -9.830 8.697 -2.108 1.00 0.00 N ATOM 980 CA ALA A 66 -10.061 7.659 -3.105 1.00 0.00 C ATOM 981 C ALA A 66 -9.467 6.332 -2.657 1.00 0.00 C ATOM 982 O ALA A 66 -9.984 5.268 -2.994 1.00 0.00 O ATOM 983 CB ALA A 66 -9.467 8.073 -4.443 1.00 0.00 C ATOM 0 H ALA A 66 -9.334 9.514 -2.463 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.137 7.531 -3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.646 7.289 -5.179 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.935 8.999 -4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.394 8.228 -4.332 1.00 0.00 H new ATOM 989 N ALA A 67 -8.405 6.402 -1.862 1.00 0.00 N ATOM 990 CA ALA A 67 -7.750 5.200 -1.362 1.00 0.00 C ATOM 991 C ALA A 67 -8.713 4.387 -0.508 1.00 0.00 C ATOM 992 O ALA A 67 -8.925 3.199 -0.756 1.00 0.00 O ATOM 993 CB ALA A 67 -6.506 5.564 -0.566 1.00 0.00 C ATOM 0 H ALA A 67 -7.981 7.276 -1.551 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.447 4.591 -2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.029 4.655 -0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.810 6.106 -1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.786 6.192 0.279 1.00 0.00 H new ATOM 999 N GLU A 68 -9.319 5.041 0.478 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.289 4.384 1.344 1.00 0.00 C ATOM 1001 C GLU A 68 -11.445 3.830 0.519 1.00 0.00 C ATOM 1002 O GLU A 68 -11.983 2.765 0.819 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.820 5.365 2.392 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.730 6.013 3.228 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.284 6.801 4.399 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -10.913 6.185 5.285 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -10.089 8.035 4.429 1.00 0.00 O ATOM 0 H GLU A 68 -9.155 6.024 0.696 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.792 3.559 1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.393 6.145 1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.509 4.839 3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.056 5.242 3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.138 6.676 2.596 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.834 4.575 -0.514 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.904 4.150 -1.405 1.00 0.00 C ATOM 1016 C GLU A 69 -12.537 2.839 -2.083 1.00 0.00 C ATOM 1017 O GLU A 69 -13.321 1.890 -2.099 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.176 5.226 -2.458 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.655 5.476 -2.708 1.00 0.00 C ATOM 1020 CD GLU A 69 -15.010 5.455 -4.182 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -14.110 5.196 -5.009 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -16.191 5.699 -4.511 1.00 0.00 O ATOM 0 H GLU A 69 -11.421 5.477 -0.752 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.808 3.999 -0.814 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.707 6.158 -2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.703 4.933 -3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.241 4.719 -2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.933 6.441 -2.285 1.00 0.00 H new ATOM 1029 N SER A 70 -11.339 2.805 -2.656 1.00 0.00 N ATOM 1030 CA SER A 70 -10.841 1.615 -3.325 1.00 0.00 C ATOM 1031 C SER A 70 -10.672 0.472 -2.334 1.00 0.00 C ATOM 1032 O SER A 70 -10.651 -0.694 -2.718 1.00 0.00 O ATOM 1033 CB SER A 70 -9.505 1.914 -4.009 1.00 0.00 C ATOM 1034 OG SER A 70 -8.415 1.491 -3.209 1.00 0.00 O ATOM 0 H SER A 70 -10.693 3.595 -2.669 1.00 0.00 H new ATOM 0 HA SER A 70 -11.569 1.316 -4.079 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.467 1.411 -4.975 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.424 2.984 -4.203 1.00 0.00 H new ATOM 0 HG SER A 70 -8.444 1.954 -2.346 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.566 0.820 -1.054 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.390 -0.173 -0.002 1.00 0.00 C ATOM 1042 C LEU A 71 -11.689 -0.931 0.251 1.00 0.00 C ATOM 1043 O LEU A 71 -11.672 -2.097 0.648 1.00 0.00 O ATOM 1044 CB LEU A 71 -9.920 0.504 1.286 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.518 0.110 1.763 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.414 -1.397 1.943 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.464 0.609 0.786 1.00 0.00 C ATOM 0 H LEU A 71 -10.599 1.784 -0.722 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.633 -0.887 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.945 1.584 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.633 0.274 2.078 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.340 0.580 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.411 -1.655 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.143 -1.726 2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.614 -1.892 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.474 0.321 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.641 0.169 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.521 1.695 0.713 1.00 0.00 H new ATOM 1059 N SER A 72 -12.811 -0.262 0.011 1.00 0.00 N ATOM 1060 CA SER A 72 -14.124 -0.870 0.197 1.00 0.00 C ATOM 1061 C SER A 72 -14.329 -2.031 -0.774 1.00 0.00 C ATOM 1062 O SER A 72 -15.251 -2.831 -0.617 1.00 0.00 O ATOM 1063 CB SER A 72 -15.221 0.178 0.005 1.00 0.00 C ATOM 1064 OG SER A 72 -15.801 0.081 -1.284 1.00 0.00 O ATOM 0 H SER A 72 -12.838 0.705 -0.314 1.00 0.00 H new ATOM 0 HA SER A 72 -14.179 -1.261 1.213 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.992 0.045 0.764 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.804 1.175 0.145 1.00 0.00 H new ATOM 0 HG SER A 72 -15.248 0.569 -1.929 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.458 -2.113 -1.775 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.545 -3.176 -2.759 1.00 0.00 C ATOM 1072 C GLY A 73 -12.190 -3.518 -3.341 1.00 0.00 C ATOM 1073 O GLY A 73 -12.085 -3.959 -4.487 1.00 0.00 O ATOM 0 H GLY A 73 -12.690 -1.458 -1.922 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.976 -4.064 -2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.219 -2.874 -3.561 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.153 -3.302 -2.544 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.782 -3.561 -2.963 1.00 0.00 C ATOM 1079 C ILE A 74 -9.497 -5.065 -3.015 1.00 0.00 C ATOM 1080 O ILE A 74 -10.421 -5.877 -3.021 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.782 -2.855 -2.013 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.475 -2.533 -2.742 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.518 -3.695 -0.771 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -6.765 -1.312 -2.198 1.00 0.00 C ATOM 0 H ILE A 74 -11.237 -2.944 -1.593 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.655 -3.157 -3.967 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.232 -1.916 -1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.808 -3.392 -2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.687 -2.379 -3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.813 -3.175 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.453 -3.856 -0.235 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.099 -4.657 -1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.847 -1.144 -2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.414 -0.441 -2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.522 -1.471 -1.147 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.215 -5.422 -3.059 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.792 -6.817 -3.097 1.00 0.00 C ATOM 1098 C GLU A 75 -8.451 -7.617 -1.973 1.00 0.00 C ATOM 1099 O GLU A 75 -7.939 -7.679 -0.855 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.266 -6.882 -2.979 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.695 -5.938 -1.932 1.00 0.00 C ATOM 1102 CD GLU A 75 -4.899 -4.799 -2.540 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -4.964 -4.620 -3.774 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -4.212 -4.083 -1.779 1.00 0.00 O ATOM 0 H GLU A 75 -7.444 -4.754 -3.069 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.103 -7.259 -4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.972 -7.903 -2.734 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.825 -6.647 -3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.510 -5.528 -1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.055 -6.501 -1.253 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.602 -8.214 -2.282 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.338 -8.986 -1.292 1.00 0.00 C ATOM 1113 C GLY A 76 -9.565 -10.190 -0.795 1.00 0.00 C ATOM 1114 O GLY A 76 -9.786 -10.660 0.321 1.00 0.00 O ATOM 0 H GLY A 76 -10.039 -8.176 -3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.584 -8.344 -0.447 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.281 -9.319 -1.725 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.651 -10.683 -1.622 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.827 -11.828 -1.255 1.00 0.00 C ATOM 1120 C VAL A 77 -6.603 -11.366 -0.490 1.00 0.00 C ATOM 1121 O VAL A 77 -6.151 -12.021 0.448 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.383 -12.622 -2.498 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.207 -11.951 -3.194 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -7.039 -14.055 -2.115 1.00 0.00 C ATOM 0 H VAL A 77 -8.462 -10.308 -2.551 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.430 -12.482 -0.625 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.215 -12.640 -3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.918 -12.537 -4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.495 -10.948 -3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.365 -11.887 -2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.727 -14.604 -3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.228 -14.052 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.915 -14.536 -1.680 1.00 0.00 H new ATOM 1134 N SER A 78 -6.108 -10.203 -0.873 1.00 0.00 N ATOM 1135 CA SER A 78 -4.937 -9.624 -0.245 1.00 0.00 C ATOM 1136 C SER A 78 -5.345 -8.633 0.837 1.00 0.00 C ATOM 1137 O SER A 78 -5.512 -7.445 0.569 1.00 0.00 O ATOM 1138 CB SER A 78 -4.070 -8.922 -1.296 1.00 0.00 C ATOM 1139 OG SER A 78 -4.352 -9.408 -2.596 1.00 0.00 O ATOM 0 H SER A 78 -6.504 -9.637 -1.623 1.00 0.00 H new ATOM 0 HA SER A 78 -4.360 -10.426 0.217 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.248 -7.847 -1.260 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.016 -9.079 -1.066 1.00 0.00 H new ATOM 0 HG SER A 78 -3.787 -8.943 -3.249 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.495 -9.121 2.066 1.00 0.00 N ATOM 1146 CA ASN A 79 -5.845 -8.240 3.171 1.00 0.00 C ATOM 1147 C ASN A 79 -4.630 -7.432 3.549 1.00 0.00 C ATOM 1148 O ASN A 79 -3.533 -7.965 3.711 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.362 -9.016 4.383 1.00 0.00 C ATOM 1150 CG ASN A 79 -6.123 -8.296 5.713 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -5.784 -8.937 6.708 1.00 0.00 O ATOM 1152 ND2 ASN A 79 -6.310 -6.966 5.758 1.00 0.00 N ATOM 0 H ASN A 79 -5.382 -10.103 2.317 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.652 -7.583 2.847 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.430 -9.195 4.262 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.877 -9.992 4.414 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.171 -6.461 6.633 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.591 -6.462 4.917 1.00 0.00 H new ATOM 1159 N ILE A 80 -4.833 -6.143 3.665 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.750 -5.234 3.917 1.00 0.00 C ATOM 1161 C ILE A 80 -3.669 -4.816 5.373 1.00 0.00 C ATOM 1162 O ILE A 80 -4.685 -4.690 6.058 1.00 0.00 O ATOM 1163 CB ILE A 80 -3.929 -3.975 3.064 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.224 -4.347 1.611 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.705 -3.095 3.162 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.681 -4.192 1.234 1.00 0.00 C ATOM 0 H ILE A 80 -5.748 -5.700 3.588 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.829 -5.758 3.661 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.782 -3.414 3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.618 -3.723 0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.920 -5.380 1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.847 -2.204 2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.550 -2.801 4.200 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.833 -3.644 2.806 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.819 -4.473 0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.291 -4.837 1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.985 -3.154 1.374 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.450 -4.547 5.817 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.225 -4.006 7.137 1.00 0.00 C ATOM 1180 C GLU A 81 -2.364 -2.503 7.022 1.00 0.00 C ATOM 1181 O GLU A 81 -1.377 -1.764 7.002 1.00 0.00 O ATOM 1182 CB GLU A 81 -0.838 -4.387 7.658 1.00 0.00 C ATOM 1183 CG GLU A 81 -0.558 -3.888 9.067 1.00 0.00 C ATOM 1184 CD GLU A 81 -1.316 -4.667 10.124 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -1.500 -5.888 9.943 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -1.727 -4.053 11.132 1.00 0.00 O ATOM 0 H GLU A 81 -1.600 -4.698 5.273 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.946 -4.410 7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.738 -5.472 7.639 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.083 -3.985 6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.511 -3.957 9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.827 -2.834 9.135 1.00 0.00 H new ATOM 1193 N VAL A 82 -3.602 -2.085 6.808 1.00 0.00 N ATOM 1194 CA VAL A 82 -3.920 -0.693 6.564 1.00 0.00 C ATOM 1195 C VAL A 82 -3.995 0.084 7.873 1.00 0.00 C ATOM 1196 O VAL A 82 -5.007 0.704 8.199 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.256 -0.583 5.796 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.579 0.870 5.483 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.203 -1.403 4.518 1.00 0.00 C ATOM 0 H VAL A 82 -4.413 -2.704 6.799 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.126 -0.258 5.957 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.049 -0.980 6.430 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.524 0.924 4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.660 1.433 6.413 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.785 1.295 4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.152 -1.314 3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.398 -1.035 3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.021 -2.449 4.764 1.00 0.00 H new ATOM 1209 N THR A 83 -2.922 -0.007 8.649 1.00 0.00 N ATOM 1210 CA THR A 83 -2.847 0.683 9.927 1.00 0.00 C ATOM 1211 C THR A 83 -1.524 1.426 10.090 1.00 0.00 C ATOM 1212 O THR A 83 -1.250 1.973 11.159 1.00 0.00 O ATOM 1213 CB THR A 83 -3.030 -0.313 11.074 1.00 0.00 C ATOM 1214 OG1 THR A 83 -3.981 -1.304 10.730 1.00 0.00 O ATOM 1215 CG2 THR A 83 -3.487 0.337 12.362 1.00 0.00 C ATOM 0 H THR A 83 -2.093 -0.552 8.414 1.00 0.00 H new ATOM 0 HA THR A 83 -3.650 1.420 9.953 1.00 0.00 H new ATOM 0 HB THR A 83 -2.046 -0.752 11.237 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.083 -1.932 11.475 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.597 -0.424 13.134 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.748 1.073 12.680 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.445 0.831 12.200 1.00 0.00 H new ATOM 1223 N ASP A 84 -0.664 1.385 9.072 1.00 0.00 N ATOM 1224 CA ASP A 84 0.623 2.051 9.167 1.00 0.00 C ATOM 1225 C ASP A 84 0.498 3.523 8.794 1.00 0.00 C ATOM 1226 O ASP A 84 -0.248 3.883 7.883 1.00 0.00 O ATOM 1227 CB ASP A 84 1.649 1.348 8.284 1.00 0.00 C ATOM 1228 CG ASP A 84 1.864 -0.098 8.687 1.00 0.00 C ATOM 1229 OD1 ASP A 84 0.920 -0.902 8.537 1.00 0.00 O ATOM 1230 OD2 ASP A 84 2.976 -0.426 9.151 1.00 0.00 O ATOM 0 H ASP A 84 -0.836 0.905 8.189 1.00 0.00 H new ATOM 0 HA ASP A 84 0.966 1.997 10.200 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.319 1.388 7.246 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.598 1.882 8.338 1.00 0.00 H new