USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 THR OG1 : rot -8:sc= -2.65! USER MOD Set 1.2: A 21 GLN : amide:sc= -4.37! C(o=-7!,f=-14!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 96:sc= -0.268 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -145:sc=-0.00104 (180deg=-0.0405) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -109:sc= 0.85 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0301 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 CYS SG : rot 180:sc=-0.00358 USER MOD Single : A 39 SER OG : rot 27:sc= 0.00142 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.18 K(o=-0.18,f=-2!) USER MOD Single : A 46 THR OG1 : rot 13:sc= 1.07 USER MOD Single : A 50 LYS NZ :NH3+ -135:sc= -0.377 (180deg=-2.57!) USER MOD Single : A 52 ASN : amide:sc= -0.268 K(o=-0.27,f=0.34) USER MOD Single : A 53 ASN : amide:sc= -0.0619 K(o=-0.062,f=-1.3) USER MOD Single : A 66 CYS SG : rot -76:sc= -5.14! USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.496 X(o=-0.5,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.941 12.258 -12.533 1.00 0.00 N ATOM 2 CA GLY A 1 -16.563 12.382 -11.225 1.00 0.00 C ATOM 3 C GLY A 1 -17.919 11.674 -11.194 1.00 0.00 C ATOM 4 O GLY A 1 -18.961 12.325 -11.129 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.023 12.746 -12.528 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.797 11.252 -12.755 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.557 12.687 -13.253 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.908 11.955 -10.465 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.693 13.436 -10.979 1.00 0.00 H new ATOM 8 N SER A 2 -17.862 10.352 -11.242 1.00 0.00 N ATOM 9 CA SER A 2 -19.073 9.549 -11.220 1.00 0.00 C ATOM 10 C SER A 2 -19.402 9.137 -9.784 1.00 0.00 C ATOM 11 O SER A 2 -18.735 8.275 -9.213 1.00 0.00 O ATOM 12 CB SER A 2 -18.929 8.311 -12.108 1.00 0.00 C ATOM 13 OG SER A 2 -20.127 7.540 -12.147 1.00 0.00 O ATOM 0 H SER A 2 -16.996 9.816 -11.296 1.00 0.00 H new ATOM 0 HA SER A 2 -19.891 10.152 -11.614 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.663 8.619 -13.119 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.112 7.692 -11.738 1.00 0.00 H new ATOM 0 HG SER A 2 -19.995 6.760 -12.725 1.00 0.00 H new ATOM 19 N SER A 3 -20.430 9.772 -9.240 1.00 0.00 N ATOM 20 CA SER A 3 -20.855 9.482 -7.882 1.00 0.00 C ATOM 21 C SER A 3 -19.682 9.666 -6.916 1.00 0.00 C ATOM 22 O SER A 3 -18.973 8.711 -6.607 1.00 0.00 O ATOM 23 CB SER A 3 -21.416 8.063 -7.771 1.00 0.00 C ATOM 24 OG SER A 3 -22.807 8.062 -7.463 1.00 0.00 O ATOM 0 H SER A 3 -20.981 10.486 -9.716 1.00 0.00 H new ATOM 0 HA SER A 3 -21.650 10.179 -7.616 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.252 7.534 -8.710 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.873 7.518 -6.999 1.00 0.00 H new ATOM 0 HG SER A 3 -23.128 7.138 -7.402 1.00 0.00 H new ATOM 30 N GLY A 4 -19.516 10.902 -6.466 1.00 0.00 N ATOM 31 CA GLY A 4 -18.441 11.223 -5.542 1.00 0.00 C ATOM 32 C GLY A 4 -18.379 10.207 -4.400 1.00 0.00 C ATOM 33 O GLY A 4 -19.362 10.006 -3.688 1.00 0.00 O ATOM 0 H GLY A 4 -20.107 11.692 -6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.490 11.235 -6.075 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.592 12.223 -5.136 1.00 0.00 H new ATOM 37 N SER A 5 -17.213 9.593 -4.259 1.00 0.00 N ATOM 38 CA SER A 5 -17.010 8.603 -3.215 1.00 0.00 C ATOM 39 C SER A 5 -16.532 9.286 -1.932 1.00 0.00 C ATOM 40 O SER A 5 -16.021 10.405 -1.973 1.00 0.00 O ATOM 41 CB SER A 5 -16.004 7.538 -3.655 1.00 0.00 C ATOM 42 OG SER A 5 -16.628 6.479 -4.377 1.00 0.00 O ATOM 0 H SER A 5 -16.399 9.762 -4.850 1.00 0.00 H new ATOM 0 HA SER A 5 -17.962 8.108 -3.023 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.237 7.999 -4.278 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.500 7.131 -2.778 1.00 0.00 H new ATOM 0 HG SER A 5 -15.952 5.821 -4.642 1.00 0.00 H new ATOM 48 N SER A 6 -16.715 8.585 -0.823 1.00 0.00 N ATOM 49 CA SER A 6 -16.309 9.110 0.469 1.00 0.00 C ATOM 50 C SER A 6 -14.908 8.606 0.822 1.00 0.00 C ATOM 51 O SER A 6 -13.984 9.400 0.990 1.00 0.00 O ATOM 52 CB SER A 6 -17.306 8.716 1.561 1.00 0.00 C ATOM 53 OG SER A 6 -18.539 9.418 1.437 1.00 0.00 O ATOM 0 H SER A 6 -17.139 7.658 -0.793 1.00 0.00 H new ATOM 0 HA SER A 6 -16.291 10.198 0.406 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.493 7.643 1.511 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.871 8.918 2.540 1.00 0.00 H new ATOM 0 HG SER A 6 -19.149 9.137 2.151 1.00 0.00 H new ATOM 59 N GLY A 7 -14.795 7.290 0.924 1.00 0.00 N ATOM 60 CA GLY A 7 -13.523 6.671 1.254 1.00 0.00 C ATOM 61 C GLY A 7 -13.682 5.662 2.392 1.00 0.00 C ATOM 62 O GLY A 7 -14.286 5.970 3.419 1.00 0.00 O ATOM 0 H GLY A 7 -15.564 6.635 0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.119 6.171 0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.805 7.439 1.542 1.00 0.00 H new ATOM 66 N ASP A 8 -13.131 4.477 2.172 1.00 0.00 N ATOM 67 CA ASP A 8 -13.205 3.421 3.167 1.00 0.00 C ATOM 68 C ASP A 8 -12.287 2.270 2.752 1.00 0.00 C ATOM 69 O ASP A 8 -11.915 2.158 1.584 1.00 0.00 O ATOM 70 CB ASP A 8 -14.628 2.872 3.283 1.00 0.00 C ATOM 71 CG ASP A 8 -15.013 2.360 4.672 1.00 0.00 C ATOM 72 OD1 ASP A 8 -14.490 2.932 5.653 1.00 0.00 O ATOM 73 OD2 ASP A 8 -15.822 1.408 4.723 1.00 0.00 O ATOM 0 H ASP A 8 -12.631 4.225 1.319 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.901 3.840 4.126 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.328 3.656 2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.747 2.059 2.567 1.00 0.00 H new ATOM 78 N SER A 9 -11.947 1.444 3.730 1.00 0.00 N ATOM 79 CA SER A 9 -11.079 0.305 3.481 1.00 0.00 C ATOM 80 C SER A 9 -11.913 -0.971 3.357 1.00 0.00 C ATOM 81 O SER A 9 -12.891 -1.150 4.081 1.00 0.00 O ATOM 82 CB SER A 9 -10.037 0.154 4.590 1.00 0.00 C ATOM 83 OG SER A 9 -9.427 -1.134 4.578 1.00 0.00 O ATOM 0 H SER A 9 -12.257 1.540 4.697 1.00 0.00 H new ATOM 0 HA SER A 9 -10.549 0.477 2.544 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.270 0.919 4.473 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.510 0.322 5.557 1.00 0.00 H new ATOM 0 HG SER A 9 -8.587 -1.093 4.075 1.00 0.00 H new ATOM 89 N LYS A 10 -11.495 -1.826 2.435 1.00 0.00 N ATOM 90 CA LYS A 10 -12.191 -3.081 2.208 1.00 0.00 C ATOM 91 C LYS A 10 -11.167 -4.209 2.067 1.00 0.00 C ATOM 92 O LYS A 10 -9.963 -3.959 2.037 1.00 0.00 O ATOM 93 CB LYS A 10 -13.140 -2.959 1.014 1.00 0.00 C ATOM 94 CG LYS A 10 -12.475 -3.465 -0.268 1.00 0.00 C ATOM 95 CD LYS A 10 -12.952 -2.668 -1.484 1.00 0.00 C ATOM 96 CE LYS A 10 -13.206 -3.590 -2.678 1.00 0.00 C ATOM 97 NZ LYS A 10 -14.545 -3.332 -3.255 1.00 0.00 N ATOM 0 H LYS A 10 -10.683 -1.674 1.837 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.821 -3.327 3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -14.048 -3.530 1.207 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.439 -1.918 0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.392 -3.383 -0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.704 -4.521 -0.408 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.866 -2.130 -1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.204 -1.921 -1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.440 -3.432 -3.437 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.133 -4.631 -2.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.702 -3.966 -4.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.273 -3.505 -2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.601 -2.343 -3.573 1.00 0.00 H new ATOM 111 N PRO A 11 -11.697 -5.459 1.983 1.00 0.00 N ATOM 112 CA PRO A 11 -10.842 -6.626 1.846 1.00 0.00 C ATOM 113 C PRO A 11 -10.280 -6.731 0.426 1.00 0.00 C ATOM 114 O PRO A 11 -11.029 -6.928 -0.529 1.00 0.00 O ATOM 115 CB PRO A 11 -11.724 -7.805 2.224 1.00 0.00 C ATOM 116 CG PRO A 11 -13.156 -7.309 2.108 1.00 0.00 C ATOM 117 CD PRO A 11 -13.118 -5.793 2.015 1.00 0.00 C ATOM 0 HA PRO A 11 -9.962 -6.581 2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.549 -8.652 1.560 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.509 -8.144 3.237 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.637 -7.734 1.227 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.740 -7.624 2.973 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.628 -5.438 1.120 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.614 -5.331 2.869 1.00 0.00 H new ATOM 125 N ILE A 12 -8.965 -6.594 0.334 1.00 0.00 N ATOM 126 CA ILE A 12 -8.294 -6.670 -0.953 1.00 0.00 C ATOM 127 C ILE A 12 -7.417 -7.923 -0.991 1.00 0.00 C ATOM 128 O ILE A 12 -7.114 -8.505 0.049 1.00 0.00 O ATOM 129 CB ILE A 12 -7.530 -5.375 -1.236 1.00 0.00 C ATOM 130 CG1 ILE A 12 -6.309 -5.248 -0.323 1.00 0.00 C ATOM 131 CG2 ILE A 12 -8.454 -4.160 -1.131 1.00 0.00 C ATOM 132 CD1 ILE A 12 -5.325 -4.209 -0.866 1.00 0.00 C ATOM 0 H ILE A 12 -8.347 -6.431 1.129 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.022 -6.765 -1.758 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.162 -5.412 -2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.628 -4.963 0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.812 -6.215 -0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.886 -3.252 -1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.263 -4.254 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.872 -4.107 -0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.466 -4.138 -0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.990 -4.509 -1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.818 -3.239 -0.928 1.00 0.00 H new ATOM 144 N LYS A 13 -7.033 -8.300 -2.202 1.00 0.00 N ATOM 145 CA LYS A 13 -6.196 -9.473 -2.390 1.00 0.00 C ATOM 146 C LYS A 13 -4.870 -9.052 -3.027 1.00 0.00 C ATOM 147 O LYS A 13 -4.856 -8.466 -4.109 1.00 0.00 O ATOM 148 CB LYS A 13 -6.946 -10.545 -3.183 1.00 0.00 C ATOM 149 CG LYS A 13 -7.226 -11.774 -2.316 1.00 0.00 C ATOM 150 CD LYS A 13 -6.079 -12.783 -2.408 1.00 0.00 C ATOM 151 CE LYS A 13 -6.092 -13.739 -1.214 1.00 0.00 C ATOM 152 NZ LYS A 13 -6.423 -15.113 -1.654 1.00 0.00 N ATOM 0 H LYS A 13 -7.286 -7.814 -3.062 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.958 -9.928 -1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.886 -10.136 -3.555 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.358 -10.836 -4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.364 -11.468 -1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.156 -12.245 -2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.163 -13.351 -3.334 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.127 -12.254 -2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.118 -13.732 -0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.821 -13.401 -0.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.987 -15.586 -0.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.969 -15.072 -2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.545 -15.647 -1.814 1.00 0.00 H new ATOM 166 N VAL A 14 -3.789 -9.366 -2.329 1.00 0.00 N ATOM 167 CA VAL A 14 -2.461 -9.028 -2.813 1.00 0.00 C ATOM 168 C VAL A 14 -1.700 -10.313 -3.143 1.00 0.00 C ATOM 169 O VAL A 14 -1.380 -11.096 -2.250 1.00 0.00 O ATOM 170 CB VAL A 14 -1.739 -8.151 -1.788 1.00 0.00 C ATOM 171 CG1 VAL A 14 -0.321 -7.816 -2.256 1.00 0.00 C ATOM 172 CG2 VAL A 14 -2.536 -6.878 -1.496 1.00 0.00 C ATOM 0 H VAL A 14 -3.805 -9.851 -1.432 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.526 -8.445 -3.732 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.661 -8.716 -0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.171 -7.192 -1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.246 -8.738 -2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.368 -7.280 -3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.000 -6.273 -0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.661 -6.308 -2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.515 -7.145 -1.099 1.00 0.00 H new ATOM 182 N THR A 15 -1.432 -10.491 -4.428 1.00 0.00 N ATOM 183 CA THR A 15 -0.714 -11.668 -4.887 1.00 0.00 C ATOM 184 C THR A 15 0.795 -11.426 -4.837 1.00 0.00 C ATOM 185 O THR A 15 1.293 -10.464 -5.420 1.00 0.00 O ATOM 186 CB THR A 15 -1.227 -12.019 -6.286 1.00 0.00 C ATOM 187 OG1 THR A 15 -2.584 -12.399 -6.073 1.00 0.00 O ATOM 188 CG2 THR A 15 -0.571 -13.281 -6.850 1.00 0.00 C ATOM 0 H THR A 15 -1.699 -9.840 -5.166 1.00 0.00 H new ATOM 0 HA THR A 15 -0.896 -12.522 -4.234 1.00 0.00 H new ATOM 0 HB THR A 15 -1.044 -11.182 -6.960 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.759 -12.462 -5.111 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.970 -13.485 -7.844 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.507 -13.133 -6.915 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.782 -14.125 -6.194 1.00 0.00 H new ATOM 196 N LEU A 16 1.482 -12.315 -4.134 1.00 0.00 N ATOM 197 CA LEU A 16 2.925 -12.210 -3.999 1.00 0.00 C ATOM 198 C LEU A 16 3.575 -12.386 -5.373 1.00 0.00 C ATOM 199 O LEU A 16 2.948 -12.898 -6.299 1.00 0.00 O ATOM 200 CB LEU A 16 3.438 -13.193 -2.946 1.00 0.00 C ATOM 201 CG LEU A 16 2.724 -13.160 -1.593 1.00 0.00 C ATOM 202 CD1 LEU A 16 2.749 -14.536 -0.925 1.00 0.00 C ATOM 203 CD2 LEU A 16 3.312 -12.073 -0.690 1.00 0.00 C ATOM 0 H LEU A 16 1.066 -13.112 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 16 3.203 -11.220 -3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.360 -14.202 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.497 -12.997 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 16 1.678 -12.906 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.235 -14.484 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.248 -15.261 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.782 -14.845 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.787 -12.070 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.370 -12.273 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.198 -11.101 -1.169 1.00 0.00 H new ATOM 215 N PRO A 17 4.857 -11.940 -5.464 1.00 0.00 N ATOM 216 CA PRO A 17 5.599 -12.044 -6.709 1.00 0.00 C ATOM 217 C PRO A 17 6.045 -13.485 -6.963 1.00 0.00 C ATOM 218 O PRO A 17 6.736 -13.761 -7.943 1.00 0.00 O ATOM 219 CB PRO A 17 6.763 -11.079 -6.554 1.00 0.00 C ATOM 220 CG PRO A 17 6.895 -10.821 -5.062 1.00 0.00 C ATOM 221 CD PRO A 17 5.631 -11.329 -4.387 1.00 0.00 C ATOM 0 HA PRO A 17 4.998 -11.785 -7.581 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.681 -11.506 -6.959 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.576 -10.152 -7.096 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.772 -11.330 -4.663 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.029 -9.757 -4.869 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.863 -12.053 -3.606 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.080 -10.516 -3.915 1.00 0.00 H new ATOM 229 N ASP A 18 5.632 -14.366 -6.064 1.00 0.00 N ATOM 230 CA ASP A 18 5.981 -15.772 -6.179 1.00 0.00 C ATOM 231 C ASP A 18 4.802 -16.537 -6.783 1.00 0.00 C ATOM 232 O ASP A 18 4.966 -17.657 -7.265 1.00 0.00 O ATOM 233 CB ASP A 18 6.284 -16.377 -4.807 1.00 0.00 C ATOM 234 CG ASP A 18 7.756 -16.331 -4.391 1.00 0.00 C ATOM 235 OD1 ASP A 18 8.278 -15.201 -4.276 1.00 0.00 O ATOM 236 OD2 ASP A 18 8.326 -17.426 -4.197 1.00 0.00 O ATOM 0 H ASP A 18 5.059 -14.134 -5.253 1.00 0.00 H new ATOM 0 HA ASP A 18 6.865 -15.850 -6.811 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.693 -15.852 -4.056 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.953 -17.416 -4.803 1.00 0.00 H new ATOM 241 N GLY A 19 3.640 -15.903 -6.738 1.00 0.00 N ATOM 242 CA GLY A 19 2.434 -16.511 -7.275 1.00 0.00 C ATOM 243 C GLY A 19 1.378 -16.692 -6.183 1.00 0.00 C ATOM 244 O GLY A 19 0.181 -16.616 -6.453 1.00 0.00 O ATOM 0 H GLY A 19 3.508 -14.974 -6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.033 -15.887 -8.074 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.675 -17.478 -7.716 1.00 0.00 H new ATOM 248 N LYS A 20 1.860 -16.929 -4.971 1.00 0.00 N ATOM 249 CA LYS A 20 0.973 -17.122 -3.837 1.00 0.00 C ATOM 250 C LYS A 20 0.095 -15.881 -3.665 1.00 0.00 C ATOM 251 O LYS A 20 0.326 -14.858 -4.308 1.00 0.00 O ATOM 252 CB LYS A 20 1.774 -17.487 -2.586 1.00 0.00 C ATOM 253 CG LYS A 20 1.729 -18.994 -2.325 1.00 0.00 C ATOM 254 CD LYS A 20 0.824 -19.317 -1.134 1.00 0.00 C ATOM 255 CE LYS A 20 -0.525 -19.865 -1.604 1.00 0.00 C ATOM 256 NZ LYS A 20 -1.239 -20.515 -0.482 1.00 0.00 N ATOM 0 H LYS A 20 2.854 -16.992 -4.750 1.00 0.00 H new ATOM 0 HA LYS A 20 0.304 -17.964 -4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.809 -17.166 -2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.373 -16.953 -1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.365 -19.510 -3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.736 -19.364 -2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.313 -20.047 -0.489 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.668 -18.418 -0.537 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.132 -19.055 -2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.372 -20.583 -2.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.153 -20.882 -0.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.665 -21.300 -0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.402 -19.820 0.275 1.00 0.00 H new ATOM 270 N GLN A 21 -0.896 -16.012 -2.795 1.00 0.00 N ATOM 271 CA GLN A 21 -1.810 -14.914 -2.530 1.00 0.00 C ATOM 272 C GLN A 21 -1.876 -14.629 -1.029 1.00 0.00 C ATOM 273 O GLN A 21 -1.537 -15.486 -0.214 1.00 0.00 O ATOM 274 CB GLN A 21 -3.201 -15.212 -3.093 1.00 0.00 C ATOM 275 CG GLN A 21 -3.149 -15.403 -4.610 1.00 0.00 C ATOM 276 CD GLN A 21 -4.057 -14.397 -5.321 1.00 0.00 C ATOM 277 OE1 GLN A 21 -4.489 -13.405 -4.757 1.00 0.00 O ATOM 278 NE2 GLN A 21 -4.321 -14.707 -6.587 1.00 0.00 N ATOM 0 H GLN A 21 -1.086 -16.862 -2.264 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.433 -14.023 -3.033 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.603 -16.110 -2.623 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.879 -14.394 -2.849 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.124 -15.284 -4.960 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.456 -16.418 -4.863 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.927 -15.553 -6.998 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.918 -14.098 -7.147 1.00 0.00 H new ATOM 287 N VAL A 22 -2.313 -13.420 -0.707 1.00 0.00 N ATOM 288 CA VAL A 22 -2.428 -13.010 0.682 1.00 0.00 C ATOM 289 C VAL A 22 -3.695 -12.172 0.859 1.00 0.00 C ATOM 290 O VAL A 22 -4.291 -11.726 -0.120 1.00 0.00 O ATOM 291 CB VAL A 22 -1.159 -12.275 1.117 1.00 0.00 C ATOM 292 CG1 VAL A 22 -1.217 -11.913 2.603 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.089 -13.103 0.803 1.00 0.00 C ATOM 0 H VAL A 22 -2.592 -12.711 -1.385 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.522 -13.881 1.331 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.098 -11.347 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.303 -11.391 2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.075 -11.267 2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.314 -12.823 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.977 -12.558 1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.037 -14.054 1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.143 -13.288 -0.270 1.00 0.00 H new ATOM 303 N ASP A 23 -4.070 -11.982 2.116 1.00 0.00 N ATOM 304 CA ASP A 23 -5.256 -11.205 2.434 1.00 0.00 C ATOM 305 C ASP A 23 -4.834 -9.830 2.957 1.00 0.00 C ATOM 306 O ASP A 23 -4.096 -9.734 3.937 1.00 0.00 O ATOM 307 CB ASP A 23 -6.088 -11.889 3.520 1.00 0.00 C ATOM 308 CG ASP A 23 -7.228 -12.769 3.004 1.00 0.00 C ATOM 309 OD1 ASP A 23 -7.976 -12.274 2.133 1.00 0.00 O ATOM 310 OD2 ASP A 23 -7.326 -13.915 3.491 1.00 0.00 O ATOM 0 H ASP A 23 -3.573 -12.353 2.926 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.853 -11.114 1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.426 -12.501 4.132 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.507 -11.123 4.172 1.00 0.00 H new ATOM 315 N ALA A 24 -5.320 -8.800 2.280 1.00 0.00 N ATOM 316 CA ALA A 24 -5.003 -7.435 2.665 1.00 0.00 C ATOM 317 C ALA A 24 -6.266 -6.577 2.570 1.00 0.00 C ATOM 318 O ALA A 24 -7.318 -7.058 2.153 1.00 0.00 O ATOM 319 CB ALA A 24 -3.871 -6.907 1.782 1.00 0.00 C ATOM 0 H ALA A 24 -5.931 -8.883 1.467 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.656 -7.397 3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.632 -5.883 2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.989 -7.534 1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.184 -6.927 0.738 1.00 0.00 H new ATOM 325 N GLU A 25 -6.119 -5.320 2.963 1.00 0.00 N ATOM 326 CA GLU A 25 -7.235 -4.390 2.928 1.00 0.00 C ATOM 327 C GLU A 25 -6.781 -3.037 2.377 1.00 0.00 C ATOM 328 O GLU A 25 -5.695 -2.561 2.707 1.00 0.00 O ATOM 329 CB GLU A 25 -7.864 -4.235 4.314 1.00 0.00 C ATOM 330 CG GLU A 25 -8.788 -5.412 4.632 1.00 0.00 C ATOM 331 CD GLU A 25 -9.147 -5.441 6.119 1.00 0.00 C ATOM 332 OE1 GLU A 25 -8.242 -5.773 6.915 1.00 0.00 O ATOM 333 OE2 GLU A 25 -10.318 -5.131 6.426 1.00 0.00 O ATOM 0 H GLU A 25 -5.244 -4.924 3.307 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.998 -4.794 2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.080 -4.170 5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.428 -3.303 4.359 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.698 -5.336 4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.301 -6.347 4.353 1.00 0.00 H new ATOM 340 N SER A 26 -7.634 -2.455 1.548 1.00 0.00 N ATOM 341 CA SER A 26 -7.334 -1.165 0.948 1.00 0.00 C ATOM 342 C SER A 26 -7.144 -0.112 2.041 1.00 0.00 C ATOM 343 O SER A 26 -7.988 0.032 2.924 1.00 0.00 O ATOM 344 CB SER A 26 -8.441 -0.736 -0.017 1.00 0.00 C ATOM 345 OG SER A 26 -9.735 -0.855 0.568 1.00 0.00 O ATOM 0 H SER A 26 -8.533 -2.852 1.277 1.00 0.00 H new ATOM 0 HA SER A 26 -6.409 -1.259 0.378 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.275 0.297 -0.323 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.393 -1.347 -0.918 1.00 0.00 H new ATOM 0 HG SER A 26 -10.216 -1.599 0.150 1.00 0.00 H new ATOM 351 N TRP A 27 -6.030 0.599 1.947 1.00 0.00 N ATOM 352 CA TRP A 27 -5.718 1.635 2.916 1.00 0.00 C ATOM 353 C TRP A 27 -5.628 0.980 4.296 1.00 0.00 C ATOM 354 O TRP A 27 -6.022 1.576 5.297 1.00 0.00 O ATOM 355 CB TRP A 27 -6.745 2.767 2.858 1.00 0.00 C ATOM 356 CG TRP A 27 -7.133 3.184 1.438 1.00 0.00 C ATOM 357 CD1 TRP A 27 -8.231 2.844 0.749 1.00 0.00 C ATOM 358 CD2 TRP A 27 -6.374 4.037 0.555 1.00 0.00 C ATOM 359 NE1 TRP A 27 -8.235 3.414 -0.508 1.00 0.00 N ATOM 360 CE2 TRP A 27 -7.070 4.163 -0.630 1.00 0.00 C ATOM 361 CE3 TRP A 27 -5.140 4.682 0.751 1.00 0.00 C ATOM 362 CZ2 TRP A 27 -6.614 4.927 -1.710 1.00 0.00 C ATOM 363 CZ3 TRP A 27 -4.697 5.441 -0.338 1.00 0.00 C ATOM 364 CH2 TRP A 27 -5.386 5.578 -1.538 1.00 0.00 C ATOM 0 H TRP A 27 -5.332 0.478 1.214 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.759 2.100 2.688 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.643 2.457 3.393 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.345 3.634 3.384 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.014 2.205 1.129 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.960 3.306 -1.217 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.578 4.598 1.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.179 5.010 -2.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.753 5.957 -0.239 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.976 6.183 -2.333 1.00 0.00 H new ATOM 375 N LYS A 28 -5.106 -0.238 4.304 1.00 0.00 N ATOM 376 CA LYS A 28 -4.959 -0.980 5.545 1.00 0.00 C ATOM 377 C LYS A 28 -3.563 -1.605 5.598 1.00 0.00 C ATOM 378 O LYS A 28 -2.700 -1.141 6.342 1.00 0.00 O ATOM 379 CB LYS A 28 -6.093 -1.996 5.699 1.00 0.00 C ATOM 380 CG LYS A 28 -7.186 -1.461 6.627 1.00 0.00 C ATOM 381 CD LYS A 28 -7.999 -2.606 7.233 1.00 0.00 C ATOM 382 CE LYS A 28 -8.910 -2.098 8.353 1.00 0.00 C ATOM 383 NZ LYS A 28 -8.426 -2.573 9.669 1.00 0.00 N ATOM 0 H LYS A 28 -4.780 -0.729 3.472 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.042 -0.311 6.401 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.519 -2.222 4.721 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.698 -2.930 6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.734 -0.870 7.423 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.847 -0.796 6.071 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.600 -3.080 6.457 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.325 -3.368 7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.939 -1.008 8.341 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.930 -2.446 8.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.055 -2.220 10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.421 -3.613 9.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.461 -2.220 9.832 1.00 0.00 H new ATOM 397 N THR A 29 -3.385 -2.647 4.799 1.00 0.00 N ATOM 398 CA THR A 29 -2.109 -3.339 4.746 1.00 0.00 C ATOM 399 C THR A 29 -1.179 -2.666 3.735 1.00 0.00 C ATOM 400 O THR A 29 -1.611 -1.817 2.958 1.00 0.00 O ATOM 401 CB THR A 29 -2.382 -4.812 4.435 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.130 -5.271 5.557 1.00 0.00 O ATOM 403 CG2 THR A 29 -1.110 -5.662 4.460 1.00 0.00 C ATOM 0 H THR A 29 -4.103 -3.028 4.183 1.00 0.00 H new ATOM 0 HA THR A 29 -1.590 -3.285 5.703 1.00 0.00 H new ATOM 0 HB THR A 29 -2.853 -4.895 3.456 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.351 -6.218 5.437 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.360 -6.698 4.233 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.407 -5.287 3.716 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.655 -5.607 5.449 1.00 0.00 H new ATOM 411 N THR A 30 0.082 -3.072 3.777 1.00 0.00 N ATOM 412 CA THR A 30 1.077 -2.519 2.874 1.00 0.00 C ATOM 413 C THR A 30 1.893 -3.641 2.229 1.00 0.00 C ATOM 414 O THR A 30 1.829 -4.789 2.663 1.00 0.00 O ATOM 415 CB THR A 30 1.930 -1.523 3.663 1.00 0.00 C ATOM 416 OG1 THR A 30 1.921 -2.035 4.993 1.00 0.00 O ATOM 417 CG2 THR A 30 1.264 -0.152 3.787 1.00 0.00 C ATOM 0 H THR A 30 0.437 -3.777 4.422 1.00 0.00 H new ATOM 0 HA THR A 30 0.608 -1.984 2.048 1.00 0.00 H new ATOM 0 HB THR A 30 2.900 -1.413 3.179 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.453 -1.450 5.572 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.911 0.517 4.355 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.097 0.263 2.793 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.309 -0.257 4.301 1.00 0.00 H new ATOM 425 N PRO A 31 2.662 -3.258 1.174 1.00 0.00 N ATOM 426 CA PRO A 31 3.489 -4.218 0.464 1.00 0.00 C ATOM 427 C PRO A 31 4.731 -4.582 1.281 1.00 0.00 C ATOM 428 O PRO A 31 5.352 -5.617 1.045 1.00 0.00 O ATOM 429 CB PRO A 31 3.824 -3.547 -0.858 1.00 0.00 C ATOM 430 CG PRO A 31 3.564 -2.064 -0.651 1.00 0.00 C ATOM 431 CD PRO A 31 2.763 -1.907 0.631 1.00 0.00 C ATOM 0 HA PRO A 31 2.981 -5.168 0.296 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.863 -3.726 -1.135 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.207 -3.943 -1.664 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.504 -1.517 -0.583 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.015 -1.651 -1.497 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.262 -1.236 1.330 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.778 -1.485 0.433 1.00 0.00 H new ATOM 439 N TYR A 32 5.055 -3.711 2.225 1.00 0.00 N ATOM 440 CA TYR A 32 6.211 -3.927 3.079 1.00 0.00 C ATOM 441 C TYR A 32 5.881 -4.901 4.212 1.00 0.00 C ATOM 442 O TYR A 32 6.740 -5.666 4.648 1.00 0.00 O ATOM 443 CB TYR A 32 6.553 -2.562 3.679 1.00 0.00 C ATOM 444 CG TYR A 32 8.006 -2.433 4.140 1.00 0.00 C ATOM 445 CD1 TYR A 32 9.036 -2.649 3.247 1.00 0.00 C ATOM 446 CD2 TYR A 32 8.288 -2.099 5.449 1.00 0.00 C ATOM 447 CE1 TYR A 32 10.403 -2.526 3.681 1.00 0.00 C ATOM 448 CE2 TYR A 32 9.655 -1.977 5.884 1.00 0.00 C ATOM 449 CZ TYR A 32 10.645 -2.197 4.978 1.00 0.00 C ATOM 450 OH TYR A 32 11.937 -2.081 5.388 1.00 0.00 O ATOM 0 H TYR A 32 4.537 -2.854 2.418 1.00 0.00 H new ATOM 0 HA TYR A 32 7.037 -4.351 2.507 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.347 -1.789 2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.895 -2.374 4.527 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.816 -2.910 2.222 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.482 -1.929 6.148 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.218 -2.691 2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.889 -1.717 6.906 1.00 0.00 H new ATOM 0 HH TYR A 32 11.958 -1.840 6.338 1.00 0.00 H new ATOM 460 N GLN A 33 4.634 -4.841 4.657 1.00 0.00 N ATOM 461 CA GLN A 33 4.180 -5.708 5.731 1.00 0.00 C ATOM 462 C GLN A 33 3.996 -7.137 5.217 1.00 0.00 C ATOM 463 O GLN A 33 4.463 -8.090 5.840 1.00 0.00 O ATOM 464 CB GLN A 33 2.887 -5.178 6.353 1.00 0.00 C ATOM 465 CG GLN A 33 3.187 -4.230 7.516 1.00 0.00 C ATOM 466 CD GLN A 33 2.025 -4.198 8.511 1.00 0.00 C ATOM 467 OE1 GLN A 33 2.106 -4.707 9.617 1.00 0.00 O ATOM 468 NE2 GLN A 33 0.941 -3.574 8.058 1.00 0.00 N ATOM 0 H GLN A 33 3.924 -4.205 4.293 1.00 0.00 H new ATOM 0 HA GLN A 33 4.942 -5.719 6.511 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.302 -4.656 5.596 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.280 -6.012 6.706 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.097 -4.549 8.024 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.371 -3.226 7.133 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.939 -3.169 7.122 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.112 -3.500 8.647 1.00 0.00 H new ATOM 477 N ILE A 34 3.315 -7.242 4.085 1.00 0.00 N ATOM 478 CA ILE A 34 3.064 -8.540 3.481 1.00 0.00 C ATOM 479 C ILE A 34 4.343 -9.377 3.530 1.00 0.00 C ATOM 480 O ILE A 34 4.339 -10.493 4.048 1.00 0.00 O ATOM 481 CB ILE A 34 2.492 -8.372 2.072 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.106 -7.726 2.115 1.00 0.00 C ATOM 483 CG2 ILE A 34 2.479 -9.707 1.323 1.00 0.00 C ATOM 484 CD1 ILE A 34 0.126 -8.467 1.204 1.00 0.00 C ATOM 0 H ILE A 34 2.930 -6.450 3.571 1.00 0.00 H new ATOM 0 HA ILE A 34 2.306 -9.083 4.046 1.00 0.00 H new ATOM 0 HB ILE A 34 3.144 -7.697 1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.731 -7.730 3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.177 -6.683 1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.068 -9.560 0.324 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.497 -10.090 1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.863 -10.423 1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.851 -7.987 1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.492 -8.440 0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.038 -9.503 1.531 1.00 0.00 H new ATOM 496 N ALA A 35 5.407 -8.806 2.985 1.00 0.00 N ATOM 497 CA ALA A 35 6.691 -9.486 2.960 1.00 0.00 C ATOM 498 C ALA A 35 7.141 -9.769 4.395 1.00 0.00 C ATOM 499 O ALA A 35 7.322 -10.924 4.776 1.00 0.00 O ATOM 500 CB ALA A 35 7.704 -8.638 2.188 1.00 0.00 C ATOM 0 H ALA A 35 5.406 -7.880 2.557 1.00 0.00 H new ATOM 0 HA ALA A 35 6.608 -10.443 2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.667 -9.148 2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.352 -8.490 1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.816 -7.670 2.677 1.00 0.00 H new ATOM 506 N CYS A 36 7.310 -8.694 5.151 1.00 0.00 N ATOM 507 CA CYS A 36 7.736 -8.812 6.535 1.00 0.00 C ATOM 508 C CYS A 36 6.969 -9.970 7.177 1.00 0.00 C ATOM 509 O CYS A 36 7.573 -10.920 7.673 1.00 0.00 O ATOM 510 CB CYS A 36 7.538 -7.502 7.301 1.00 0.00 C ATOM 511 SG CYS A 36 9.144 -6.649 7.507 1.00 0.00 S ATOM 0 H CYS A 36 7.160 -7.737 4.831 1.00 0.00 H new ATOM 0 HA CYS A 36 8.805 -9.021 6.573 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.841 -6.859 6.764 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.097 -7.705 8.277 1.00 0.00 H new ATOM 0 HG CYS A 36 8.965 -5.537 8.157 1.00 0.00 H new ATOM 517 N GLY A 37 5.650 -9.853 7.146 1.00 0.00 N ATOM 518 CA GLY A 37 4.794 -10.878 7.718 1.00 0.00 C ATOM 519 C GLY A 37 5.290 -12.277 7.346 1.00 0.00 C ATOM 520 O GLY A 37 5.230 -13.197 8.160 1.00 0.00 O ATOM 0 H GLY A 37 5.153 -9.064 6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.770 -10.773 8.803 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.772 -10.744 7.362 1.00 0.00 H new ATOM 524 N ILE A 38 5.768 -12.392 6.116 1.00 0.00 N ATOM 525 CA ILE A 38 6.273 -13.663 5.626 1.00 0.00 C ATOM 526 C ILE A 38 7.660 -13.919 6.220 1.00 0.00 C ATOM 527 O ILE A 38 7.875 -14.926 6.893 1.00 0.00 O ATOM 528 CB ILE A 38 6.244 -13.698 4.097 1.00 0.00 C ATOM 529 CG1 ILE A 38 4.823 -13.481 3.571 1.00 0.00 C ATOM 530 CG2 ILE A 38 6.860 -14.994 3.566 1.00 0.00 C ATOM 531 CD1 ILE A 38 4.842 -13.063 2.099 1.00 0.00 C ATOM 0 H ILE A 38 5.816 -11.626 5.444 1.00 0.00 H new ATOM 0 HA ILE A 38 5.629 -14.480 5.953 1.00 0.00 H new ATOM 0 HB ILE A 38 6.855 -12.876 3.725 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.245 -14.398 3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.325 -12.714 4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.827 -14.993 2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.896 -15.067 3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.297 -15.847 3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.820 -12.915 1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.400 -12.133 1.992 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.319 -13.843 1.505 1.00 0.00 H new ATOM 543 N SER A 39 8.565 -12.989 5.950 1.00 0.00 N ATOM 544 CA SER A 39 9.925 -13.101 6.450 1.00 0.00 C ATOM 545 C SER A 39 10.479 -11.712 6.773 1.00 0.00 C ATOM 546 O SER A 39 10.337 -10.783 5.980 1.00 0.00 O ATOM 547 CB SER A 39 10.827 -13.810 5.437 1.00 0.00 C ATOM 548 OG SER A 39 10.873 -15.217 5.657 1.00 0.00 O ATOM 0 H SER A 39 8.383 -12.155 5.392 1.00 0.00 H new ATOM 0 HA SER A 39 9.907 -13.699 7.361 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.465 -13.612 4.428 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.835 -13.400 5.500 1.00 0.00 H new ATOM 0 HG SER A 39 10.047 -15.506 6.098 1.00 0.00 H new ATOM 554 N GLN A 40 11.099 -11.614 7.940 1.00 0.00 N ATOM 555 CA GLN A 40 11.675 -10.355 8.378 1.00 0.00 C ATOM 556 C GLN A 40 13.133 -10.252 7.926 1.00 0.00 C ATOM 557 O GLN A 40 13.999 -10.955 8.446 1.00 0.00 O ATOM 558 CB GLN A 40 11.559 -10.197 9.896 1.00 0.00 C ATOM 559 CG GLN A 40 10.529 -9.126 10.259 1.00 0.00 C ATOM 560 CD GLN A 40 11.214 -7.846 10.740 1.00 0.00 C ATOM 561 OE1 GLN A 40 11.815 -7.108 9.977 1.00 0.00 O ATOM 562 NE2 GLN A 40 11.091 -7.625 12.046 1.00 0.00 N ATOM 0 H GLN A 40 11.215 -12.387 8.596 1.00 0.00 H new ATOM 0 HA GLN A 40 11.114 -9.542 7.917 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.272 -11.149 10.343 1.00 0.00 H new ATOM 0 HB3 GLN A 40 12.530 -9.929 10.312 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.907 -8.906 9.391 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.867 -9.503 11.038 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.574 -8.284 12.628 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.514 -6.797 12.465 1.00 0.00 H new ATOM 571 N GLY A 41 13.360 -9.372 6.963 1.00 0.00 N ATOM 572 CA GLY A 41 14.698 -9.168 6.435 1.00 0.00 C ATOM 573 C GLY A 41 14.648 -8.679 4.986 1.00 0.00 C ATOM 574 O GLY A 41 14.906 -7.508 4.713 1.00 0.00 O ATOM 0 H GLY A 41 12.639 -8.791 6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.228 -8.441 7.050 1.00 0.00 H new ATOM 0 HA3 GLY A 41 15.260 -10.100 6.489 1.00 0.00 H new ATOM 578 N LEU A 42 14.314 -9.601 4.095 1.00 0.00 N ATOM 579 CA LEU A 42 14.226 -9.278 2.681 1.00 0.00 C ATOM 580 C LEU A 42 13.540 -7.921 2.514 1.00 0.00 C ATOM 581 O LEU A 42 13.947 -7.114 1.679 1.00 0.00 O ATOM 582 CB LEU A 42 13.542 -10.411 1.914 1.00 0.00 C ATOM 583 CG LEU A 42 12.012 -10.382 1.898 1.00 0.00 C ATOM 584 CD1 LEU A 42 11.493 -9.480 0.776 1.00 0.00 C ATOM 585 CD2 LEU A 42 11.438 -11.798 1.807 1.00 0.00 C ATOM 0 H LEU A 42 14.101 -10.572 4.325 1.00 0.00 H new ATOM 0 HA LEU A 42 15.222 -9.187 2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.897 -10.391 0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.863 -11.360 2.344 1.00 0.00 H new ATOM 0 HG LEU A 42 11.668 -9.955 2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.403 -9.477 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 42 11.860 -8.465 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.846 -9.855 -0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.349 -11.749 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.788 -12.274 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.767 -12.380 2.668 1.00 0.00 H new ATOM 597 N ALA A 43 12.511 -7.710 3.321 1.00 0.00 N ATOM 598 CA ALA A 43 11.765 -6.464 3.273 1.00 0.00 C ATOM 599 C ALA A 43 12.732 -5.289 3.428 1.00 0.00 C ATOM 600 O ALA A 43 12.700 -4.346 2.638 1.00 0.00 O ATOM 601 CB ALA A 43 10.682 -6.475 4.354 1.00 0.00 C ATOM 0 H ALA A 43 12.176 -8.381 4.012 1.00 0.00 H new ATOM 0 HA ALA A 43 11.264 -6.354 2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.122 -5.540 4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.004 -7.311 4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.147 -6.582 5.334 1.00 0.00 H new ATOM 607 N ASP A 44 13.569 -5.384 4.450 1.00 0.00 N ATOM 608 CA ASP A 44 14.544 -4.341 4.719 1.00 0.00 C ATOM 609 C ASP A 44 15.308 -4.019 3.433 1.00 0.00 C ATOM 610 O ASP A 44 15.568 -2.855 3.135 1.00 0.00 O ATOM 611 CB ASP A 44 15.558 -4.792 5.771 1.00 0.00 C ATOM 612 CG ASP A 44 16.685 -3.796 6.053 1.00 0.00 C ATOM 613 OD1 ASP A 44 17.379 -3.434 5.078 1.00 0.00 O ATOM 614 OD2 ASP A 44 16.827 -3.419 7.236 1.00 0.00 O ATOM 0 H ASP A 44 13.592 -6.168 5.102 1.00 0.00 H new ATOM 0 HA ASP A 44 14.008 -3.466 5.087 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.028 -4.991 6.702 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.999 -5.735 5.448 1.00 0.00 H new ATOM 619 N ASN A 45 15.647 -5.073 2.705 1.00 0.00 N ATOM 620 CA ASN A 45 16.376 -4.918 1.457 1.00 0.00 C ATOM 621 C ASN A 45 15.409 -5.080 0.283 1.00 0.00 C ATOM 622 O ASN A 45 15.313 -6.158 -0.303 1.00 0.00 O ATOM 623 CB ASN A 45 17.467 -5.982 1.322 1.00 0.00 C ATOM 624 CG ASN A 45 18.614 -5.481 0.442 1.00 0.00 C ATOM 625 OD1 ASN A 45 18.780 -4.296 0.208 1.00 0.00 O ATOM 626 ND2 ASN A 45 19.395 -6.449 -0.032 1.00 0.00 N ATOM 0 H ASN A 45 15.430 -6.038 2.955 1.00 0.00 H new ATOM 0 HA ASN A 45 16.834 -3.929 1.454 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.849 -6.244 2.309 1.00 0.00 H new ATOM 0 HB3 ASN A 45 17.044 -6.890 0.892 1.00 0.00 H new ATOM 0 HD21 ASN A 45 20.188 -6.217 -0.630 1.00 0.00 H new ATOM 0 HD22 ASN A 45 19.200 -7.422 0.203 1.00 0.00 H new ATOM 633 N THR A 46 14.717 -3.994 -0.027 1.00 0.00 N ATOM 634 CA THR A 46 13.761 -4.002 -1.121 1.00 0.00 C ATOM 635 C THR A 46 13.496 -2.576 -1.608 1.00 0.00 C ATOM 636 O THR A 46 12.781 -1.816 -0.956 1.00 0.00 O ATOM 637 CB THR A 46 12.500 -4.724 -0.642 1.00 0.00 C ATOM 638 OG1 THR A 46 12.777 -6.101 -0.884 1.00 0.00 O ATOM 639 CG2 THR A 46 11.285 -4.428 -1.523 1.00 0.00 C ATOM 0 H THR A 46 14.799 -3.102 0.461 1.00 0.00 H new ATOM 0 HA THR A 46 14.153 -4.540 -1.984 1.00 0.00 H new ATOM 0 HB THR A 46 12.282 -4.432 0.385 1.00 0.00 H new ATOM 0 HG1 THR A 46 13.730 -6.213 -1.082 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.418 -4.965 -1.139 1.00 0.00 H new ATOM 0 HG22 THR A 46 11.082 -3.357 -1.515 1.00 0.00 H new ATOM 0 HG23 THR A 46 11.489 -4.751 -2.544 1.00 0.00 H new ATOM 647 N VAL A 47 14.086 -2.255 -2.750 1.00 0.00 N ATOM 648 CA VAL A 47 13.923 -0.934 -3.332 1.00 0.00 C ATOM 649 C VAL A 47 12.473 -0.478 -3.153 1.00 0.00 C ATOM 650 O VAL A 47 12.137 0.156 -2.153 1.00 0.00 O ATOM 651 CB VAL A 47 14.368 -0.948 -4.796 1.00 0.00 C ATOM 652 CG1 VAL A 47 15.848 -0.581 -4.922 1.00 0.00 C ATOM 653 CG2 VAL A 47 14.082 -2.305 -5.443 1.00 0.00 C ATOM 0 H VAL A 47 14.678 -2.888 -3.288 1.00 0.00 H new ATOM 0 HA VAL A 47 14.558 -0.211 -2.820 1.00 0.00 H new ATOM 0 HB VAL A 47 13.789 -0.194 -5.330 1.00 0.00 H new ATOM 0 HG11 VAL A 47 16.139 -0.598 -5.972 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.011 0.418 -4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 47 16.450 -1.301 -4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 47 14.408 -2.288 -6.483 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.622 -3.085 -4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 47 13.012 -2.510 -5.401 1.00 0.00 H new ATOM 663 N ILE A 48 11.653 -0.819 -4.136 1.00 0.00 N ATOM 664 CA ILE A 48 10.247 -0.453 -4.099 1.00 0.00 C ATOM 665 C ILE A 48 9.403 -1.639 -4.568 1.00 0.00 C ATOM 666 O ILE A 48 9.863 -2.457 -5.363 1.00 0.00 O ATOM 667 CB ILE A 48 10.006 0.828 -4.900 1.00 0.00 C ATOM 668 CG1 ILE A 48 9.176 1.830 -4.096 1.00 0.00 C ATOM 669 CG2 ILE A 48 9.371 0.515 -6.256 1.00 0.00 C ATOM 670 CD1 ILE A 48 9.557 3.269 -4.451 1.00 0.00 C ATOM 0 H ILE A 48 11.935 -1.345 -4.963 1.00 0.00 H new ATOM 0 HA ILE A 48 9.939 -0.226 -3.078 1.00 0.00 H new ATOM 0 HB ILE A 48 10.971 1.295 -5.096 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.116 1.671 -4.294 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.329 1.662 -3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.210 1.443 -6.805 1.00 0.00 H new ATOM 0 HG22 ILE A 48 10.034 -0.135 -6.827 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.415 0.014 -6.103 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.952 3.961 -3.865 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.612 3.432 -4.229 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.379 3.441 -5.513 1.00 0.00 H new ATOM 682 N ALA A 49 8.183 -1.695 -4.055 1.00 0.00 N ATOM 683 CA ALA A 49 7.270 -2.768 -4.411 1.00 0.00 C ATOM 684 C ALA A 49 6.343 -2.293 -5.531 1.00 0.00 C ATOM 685 O ALA A 49 5.961 -1.124 -5.571 1.00 0.00 O ATOM 686 CB ALA A 49 6.500 -3.217 -3.167 1.00 0.00 C ATOM 0 H ALA A 49 7.805 -1.015 -3.396 1.00 0.00 H new ATOM 0 HA ALA A 49 7.820 -3.632 -4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.815 -4.022 -3.434 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.202 -3.573 -2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.933 -2.376 -2.767 1.00 0.00 H new ATOM 692 N LYS A 50 6.007 -3.223 -6.413 1.00 0.00 N ATOM 693 CA LYS A 50 5.132 -2.913 -7.531 1.00 0.00 C ATOM 694 C LYS A 50 3.706 -3.353 -7.194 1.00 0.00 C ATOM 695 O LYS A 50 3.487 -4.486 -6.766 1.00 0.00 O ATOM 696 CB LYS A 50 5.676 -3.526 -8.823 1.00 0.00 C ATOM 697 CG LYS A 50 6.667 -2.580 -9.504 1.00 0.00 C ATOM 698 CD LYS A 50 6.993 -3.055 -10.921 1.00 0.00 C ATOM 699 CE LYS A 50 7.524 -1.904 -11.777 1.00 0.00 C ATOM 700 NZ LYS A 50 8.941 -2.135 -12.135 1.00 0.00 N ATOM 0 H LYS A 50 6.325 -4.191 -6.376 1.00 0.00 H new ATOM 0 HA LYS A 50 5.101 -1.837 -7.704 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.166 -4.474 -8.602 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.851 -3.744 -9.501 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.248 -1.574 -9.541 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.583 -2.523 -8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.734 -3.853 -10.879 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.099 -3.474 -11.383 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.925 -1.810 -12.683 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.429 -0.964 -11.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.481 -1.257 -11.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.335 -2.883 -11.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.004 -2.427 -13.131 1.00 0.00 H new ATOM 714 N VAL A 51 2.773 -2.435 -7.398 1.00 0.00 N ATOM 715 CA VAL A 51 1.374 -2.715 -7.121 1.00 0.00 C ATOM 716 C VAL A 51 0.573 -2.620 -8.421 1.00 0.00 C ATOM 717 O VAL A 51 0.356 -1.527 -8.943 1.00 0.00 O ATOM 718 CB VAL A 51 0.859 -1.773 -6.031 1.00 0.00 C ATOM 719 CG1 VAL A 51 -0.670 -1.792 -5.968 1.00 0.00 C ATOM 720 CG2 VAL A 51 1.468 -2.123 -4.672 1.00 0.00 C ATOM 0 H VAL A 51 2.958 -1.496 -7.752 1.00 0.00 H new ATOM 0 HA VAL A 51 1.255 -3.729 -6.739 1.00 0.00 H new ATOM 0 HB VAL A 51 1.171 -0.761 -6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.010 -1.114 -5.185 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.078 -1.473 -6.927 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.013 -2.803 -5.747 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.086 -1.439 -3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.200 -3.145 -4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.553 -2.035 -4.726 1.00 0.00 H new ATOM 730 N ASN A 52 0.154 -3.780 -8.906 1.00 0.00 N ATOM 731 CA ASN A 52 -0.619 -3.841 -10.135 1.00 0.00 C ATOM 732 C ASN A 52 0.312 -3.625 -11.330 1.00 0.00 C ATOM 733 O ASN A 52 -0.133 -3.223 -12.403 1.00 0.00 O ATOM 734 CB ASN A 52 -1.690 -2.749 -10.167 1.00 0.00 C ATOM 735 CG ASN A 52 -2.916 -3.207 -10.960 1.00 0.00 C ATOM 736 OD1 ASN A 52 -2.944 -3.181 -12.180 1.00 0.00 O ATOM 737 ND2 ASN A 52 -3.925 -3.627 -10.202 1.00 0.00 N ATOM 0 H ASN A 52 0.335 -4.684 -8.470 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.099 -4.819 -10.183 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.985 -2.494 -9.149 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.279 -1.845 -10.616 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.788 -3.953 -10.637 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.836 -3.623 -9.186 1.00 0.00 H new ATOM 744 N ASN A 53 1.588 -3.902 -11.103 1.00 0.00 N ATOM 745 CA ASN A 53 2.586 -3.744 -12.147 1.00 0.00 C ATOM 746 C ASN A 53 3.019 -2.278 -12.213 1.00 0.00 C ATOM 747 O ASN A 53 3.552 -1.830 -13.227 1.00 0.00 O ATOM 748 CB ASN A 53 2.019 -4.131 -13.514 1.00 0.00 C ATOM 749 CG ASN A 53 3.132 -4.580 -14.462 1.00 0.00 C ATOM 750 OD1 ASN A 53 4.312 -4.451 -14.181 1.00 0.00 O ATOM 751 ND2 ASN A 53 2.693 -5.113 -15.599 1.00 0.00 N ATOM 0 H ASN A 53 1.953 -4.235 -10.211 1.00 0.00 H new ATOM 0 HA ASN A 53 3.429 -4.393 -11.910 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.291 -4.934 -13.396 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.489 -3.282 -13.946 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.359 -5.443 -16.298 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.691 -5.192 -15.772 1.00 0.00 H new ATOM 758 N VAL A 54 2.775 -1.571 -11.119 1.00 0.00 N ATOM 759 CA VAL A 54 3.133 -0.166 -11.041 1.00 0.00 C ATOM 760 C VAL A 54 3.885 0.092 -9.733 1.00 0.00 C ATOM 761 O VAL A 54 3.512 -0.433 -8.685 1.00 0.00 O ATOM 762 CB VAL A 54 1.882 0.703 -11.192 1.00 0.00 C ATOM 763 CG1 VAL A 54 0.795 -0.035 -11.976 1.00 0.00 C ATOM 764 CG2 VAL A 54 1.362 1.157 -9.827 1.00 0.00 C ATOM 0 H VAL A 54 2.333 -1.946 -10.279 1.00 0.00 H new ATOM 0 HA VAL A 54 3.800 0.104 -11.859 1.00 0.00 H new ATOM 0 HB VAL A 54 2.157 1.593 -11.758 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.083 0.604 -12.069 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.169 -0.285 -12.969 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.524 -0.950 -11.449 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.473 1.773 -9.963 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.110 0.284 -9.225 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.132 1.738 -9.319 1.00 0.00 H new ATOM 774 N VAL A 55 4.929 0.901 -9.838 1.00 0.00 N ATOM 775 CA VAL A 55 5.736 1.234 -8.677 1.00 0.00 C ATOM 776 C VAL A 55 4.817 1.611 -7.513 1.00 0.00 C ATOM 777 O VAL A 55 3.842 2.337 -7.698 1.00 0.00 O ATOM 778 CB VAL A 55 6.734 2.339 -9.033 1.00 0.00 C ATOM 779 CG1 VAL A 55 7.419 2.884 -7.778 1.00 0.00 C ATOM 780 CG2 VAL A 55 7.764 1.841 -10.048 1.00 0.00 C ATOM 0 H VAL A 55 5.234 1.335 -10.709 1.00 0.00 H new ATOM 0 HA VAL A 55 6.324 0.372 -8.361 1.00 0.00 H new ATOM 0 HB VAL A 55 6.179 3.157 -9.493 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.123 3.667 -8.059 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.668 3.295 -7.103 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.955 2.078 -7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.461 2.645 -10.284 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.312 0.998 -9.627 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.254 1.524 -10.958 1.00 0.00 H new ATOM 790 N TRP A 56 5.161 1.100 -6.340 1.00 0.00 N ATOM 791 CA TRP A 56 4.379 1.374 -5.146 1.00 0.00 C ATOM 792 C TRP A 56 5.339 1.440 -3.957 1.00 0.00 C ATOM 793 O TRP A 56 6.129 0.522 -3.740 1.00 0.00 O ATOM 794 CB TRP A 56 3.273 0.332 -4.965 1.00 0.00 C ATOM 795 CG TRP A 56 1.993 0.887 -4.337 1.00 0.00 C ATOM 796 CD1 TRP A 56 1.693 1.000 -3.036 1.00 0.00 C ATOM 797 CD2 TRP A 56 0.844 1.404 -5.042 1.00 0.00 C ATOM 798 NE1 TRP A 56 0.441 1.549 -2.851 1.00 0.00 N ATOM 799 CE2 TRP A 56 -0.092 1.802 -4.109 1.00 0.00 C ATOM 800 CE3 TRP A 56 0.604 1.530 -6.421 1.00 0.00 C ATOM 801 CZ2 TRP A 56 -1.332 2.354 -4.455 1.00 0.00 C ATOM 802 CZ3 TRP A 56 -0.640 2.083 -6.750 1.00 0.00 C ATOM 803 CH2 TRP A 56 -1.593 2.489 -5.824 1.00 0.00 C ATOM 0 H TRP A 56 5.971 0.498 -6.191 1.00 0.00 H new ATOM 0 HA TRP A 56 3.866 2.332 -5.232 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.032 -0.099 -5.936 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.650 -0.479 -4.341 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.349 0.699 -2.233 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.010 1.735 -1.955 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.322 1.225 -7.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.048 2.659 -3.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -0.875 2.202 -7.797 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.531 2.907 -6.159 1.00 0.00 H new ATOM 814 N ASP A 57 5.239 2.535 -3.217 1.00 0.00 N ATOM 815 CA ASP A 57 6.089 2.733 -2.055 1.00 0.00 C ATOM 816 C ASP A 57 5.737 1.694 -0.989 1.00 0.00 C ATOM 817 O ASP A 57 4.570 1.346 -0.817 1.00 0.00 O ATOM 818 CB ASP A 57 5.879 4.122 -1.450 1.00 0.00 C ATOM 819 CG ASP A 57 6.868 4.503 -0.346 1.00 0.00 C ATOM 820 OD1 ASP A 57 7.832 3.730 -0.156 1.00 0.00 O ATOM 821 OD2 ASP A 57 6.638 5.558 0.283 1.00 0.00 O ATOM 0 H ASP A 57 4.582 3.294 -3.400 1.00 0.00 H new ATOM 0 HA ASP A 57 7.126 2.632 -2.374 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.944 4.863 -2.247 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.868 4.177 -1.046 1.00 0.00 H new ATOM 826 N LEU A 58 6.768 1.228 -0.299 1.00 0.00 N ATOM 827 CA LEU A 58 6.583 0.236 0.746 1.00 0.00 C ATOM 828 C LEU A 58 5.876 0.884 1.938 1.00 0.00 C ATOM 829 O LEU A 58 5.400 0.189 2.835 1.00 0.00 O ATOM 830 CB LEU A 58 7.917 -0.420 1.105 1.00 0.00 C ATOM 831 CG LEU A 58 8.865 -0.697 -0.065 1.00 0.00 C ATOM 832 CD1 LEU A 58 10.251 -0.106 0.201 1.00 0.00 C ATOM 833 CD2 LEU A 58 8.929 -2.193 -0.376 1.00 0.00 C ATOM 0 H LEU A 58 7.735 1.520 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 58 5.942 -0.572 0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.433 0.220 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.711 -1.363 1.611 1.00 0.00 H new ATOM 0 HG LEU A 58 8.469 -0.201 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.905 -0.317 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.167 0.972 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.670 -0.552 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.609 -2.362 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.289 -2.732 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.934 -2.553 -0.640 1.00 0.00 H new ATOM 845 N ASP A 59 5.830 2.208 1.910 1.00 0.00 N ATOM 846 CA ASP A 59 5.189 2.957 2.977 1.00 0.00 C ATOM 847 C ASP A 59 3.736 3.242 2.594 1.00 0.00 C ATOM 848 O ASP A 59 2.869 3.339 3.461 1.00 0.00 O ATOM 849 CB ASP A 59 5.889 4.299 3.206 1.00 0.00 C ATOM 850 CG ASP A 59 5.698 4.899 4.600 1.00 0.00 C ATOM 851 OD1 ASP A 59 6.090 4.216 5.570 1.00 0.00 O ATOM 852 OD2 ASP A 59 5.164 6.027 4.663 1.00 0.00 O ATOM 0 H ASP A 59 6.226 2.781 1.165 1.00 0.00 H new ATOM 0 HA ASP A 59 5.245 2.360 3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.956 4.170 3.026 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.525 5.012 2.467 1.00 0.00 H new ATOM 857 N ARG A 60 3.514 3.368 1.293 1.00 0.00 N ATOM 858 CA ARG A 60 2.181 3.640 0.784 1.00 0.00 C ATOM 859 C ARG A 60 1.338 2.362 0.795 1.00 0.00 C ATOM 860 O ARG A 60 1.746 1.341 0.243 1.00 0.00 O ATOM 861 CB ARG A 60 2.238 4.193 -0.641 1.00 0.00 C ATOM 862 CG ARG A 60 0.840 4.561 -1.142 1.00 0.00 C ATOM 863 CD ARG A 60 0.904 5.180 -2.540 1.00 0.00 C ATOM 864 NE ARG A 60 -0.285 6.031 -2.772 1.00 0.00 N ATOM 865 CZ ARG A 60 -0.504 6.724 -3.898 1.00 0.00 C ATOM 866 NH1 ARG A 60 0.383 6.672 -4.900 1.00 0.00 N ATOM 867 NH2 ARG A 60 -1.610 7.470 -4.020 1.00 0.00 N ATOM 0 H ARG A 60 4.236 3.287 0.577 1.00 0.00 H new ATOM 0 HA ARG A 60 1.724 4.387 1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.881 5.073 -0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.683 3.452 -1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.211 3.671 -1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.375 5.263 -0.450 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.812 5.774 -2.642 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.951 4.393 -3.293 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.981 6.094 -2.029 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.226 6.105 -4.806 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.216 7.200 -5.757 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.285 7.510 -3.256 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.777 7.998 -4.877 1.00 0.00 H new ATOM 881 N PRO A 61 0.148 2.464 1.445 1.00 0.00 N ATOM 882 CA PRO A 61 -0.755 1.330 1.534 1.00 0.00 C ATOM 883 C PRO A 61 -1.465 1.088 0.201 1.00 0.00 C ATOM 884 O PRO A 61 -1.748 2.031 -0.536 1.00 0.00 O ATOM 885 CB PRO A 61 -1.713 1.677 2.662 1.00 0.00 C ATOM 886 CG PRO A 61 -1.605 3.182 2.852 1.00 0.00 C ATOM 887 CD PRO A 61 -0.367 3.658 2.110 1.00 0.00 C ATOM 0 HA PRO A 61 -0.236 0.395 1.744 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.733 1.387 2.411 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.447 1.148 3.577 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.495 3.680 2.468 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.534 3.429 3.911 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.613 4.438 1.389 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.369 4.078 2.796 1.00 0.00 H new ATOM 895 N LEU A 62 -1.733 -0.182 -0.069 1.00 0.00 N ATOM 896 CA LEU A 62 -2.404 -0.560 -1.300 1.00 0.00 C ATOM 897 C LEU A 62 -3.691 0.256 -1.446 1.00 0.00 C ATOM 898 O LEU A 62 -4.053 1.016 -0.549 1.00 0.00 O ATOM 899 CB LEU A 62 -2.627 -2.073 -1.347 1.00 0.00 C ATOM 900 CG LEU A 62 -1.414 -2.940 -1.001 1.00 0.00 C ATOM 901 CD1 LEU A 62 -0.110 -2.230 -1.368 1.00 0.00 C ATOM 902 CD2 LEU A 62 -1.444 -3.361 0.470 1.00 0.00 C ATOM 0 H LEU A 62 -1.497 -0.962 0.545 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.778 -0.327 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.435 -2.323 -0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.966 -2.340 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.463 -3.851 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.736 -2.868 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.097 -2.023 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.038 -1.293 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.572 -3.976 0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.431 -2.474 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.350 -3.934 0.666 1.00 0.00 H new ATOM 914 N GLU A 63 -4.346 0.069 -2.582 1.00 0.00 N ATOM 915 CA GLU A 63 -5.585 0.778 -2.856 1.00 0.00 C ATOM 916 C GLU A 63 -6.742 -0.212 -3.002 1.00 0.00 C ATOM 917 O GLU A 63 -7.858 0.063 -2.564 1.00 0.00 O ATOM 918 CB GLU A 63 -5.451 1.652 -4.105 1.00 0.00 C ATOM 919 CG GLU A 63 -5.050 3.082 -3.733 1.00 0.00 C ATOM 920 CD GLU A 63 -5.797 4.102 -4.594 1.00 0.00 C ATOM 921 OE1 GLU A 63 -7.044 4.023 -4.615 1.00 0.00 O ATOM 922 OE2 GLU A 63 -5.104 4.939 -5.212 1.00 0.00 O ATOM 0 H GLU A 63 -4.043 -0.563 -3.323 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.799 1.435 -2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.705 1.224 -4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.396 1.665 -4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.266 3.262 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.975 3.208 -3.864 1.00 0.00 H new ATOM 929 N GLU A 64 -6.436 -1.344 -3.619 1.00 0.00 N ATOM 930 CA GLU A 64 -7.437 -2.377 -3.827 1.00 0.00 C ATOM 931 C GLU A 64 -6.789 -3.633 -4.412 1.00 0.00 C ATOM 932 O GLU A 64 -5.577 -3.674 -4.615 1.00 0.00 O ATOM 933 CB GLU A 64 -8.566 -1.872 -4.728 1.00 0.00 C ATOM 934 CG GLU A 64 -8.051 -1.572 -6.137 1.00 0.00 C ATOM 935 CD GLU A 64 -8.638 -0.263 -6.668 1.00 0.00 C ATOM 936 OE1 GLU A 64 -8.519 0.748 -5.943 1.00 0.00 O ATOM 937 OE2 GLU A 64 -9.191 -0.302 -7.788 1.00 0.00 O ATOM 0 H GLU A 64 -5.509 -1.569 -3.982 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.874 -2.633 -2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.358 -2.619 -4.778 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.004 -0.971 -4.298 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.963 -1.508 -6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.315 -2.391 -6.806 1.00 0.00 H new ATOM 944 N ASP A 65 -7.626 -4.628 -4.666 1.00 0.00 N ATOM 945 CA ASP A 65 -7.150 -5.883 -5.224 1.00 0.00 C ATOM 946 C ASP A 65 -6.099 -5.593 -6.297 1.00 0.00 C ATOM 947 O ASP A 65 -6.425 -5.087 -7.370 1.00 0.00 O ATOM 948 CB ASP A 65 -8.292 -6.663 -5.879 1.00 0.00 C ATOM 949 CG ASP A 65 -9.393 -7.123 -4.922 1.00 0.00 C ATOM 950 OD1 ASP A 65 -10.331 -6.324 -4.709 1.00 0.00 O ATOM 951 OD2 ASP A 65 -9.273 -8.263 -4.424 1.00 0.00 O ATOM 0 H ASP A 65 -8.631 -4.591 -4.496 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.729 -6.475 -4.412 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.741 -6.040 -6.652 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.875 -7.538 -6.377 1.00 0.00 H new ATOM 956 N CYS A 66 -4.859 -5.926 -5.971 1.00 0.00 N ATOM 957 CA CYS A 66 -3.758 -5.707 -6.893 1.00 0.00 C ATOM 958 C CYS A 66 -2.673 -6.746 -6.601 1.00 0.00 C ATOM 959 O CYS A 66 -2.851 -7.610 -5.744 1.00 0.00 O ATOM 960 CB CYS A 66 -3.219 -4.278 -6.803 1.00 0.00 C ATOM 961 SG CYS A 66 -2.695 -3.914 -5.088 1.00 0.00 S ATOM 0 H CYS A 66 -4.592 -6.346 -5.081 1.00 0.00 H new ATOM 0 HA CYS A 66 -4.110 -5.828 -7.918 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.376 -4.155 -7.483 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.987 -3.570 -7.115 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.743 -3.697 -4.351 1.00 0.00 H new ATOM 967 N THR A 67 -1.572 -6.626 -7.329 1.00 0.00 N ATOM 968 CA THR A 67 -0.458 -7.543 -7.158 1.00 0.00 C ATOM 969 C THR A 67 0.653 -6.885 -6.339 1.00 0.00 C ATOM 970 O THR A 67 0.592 -5.692 -6.048 1.00 0.00 O ATOM 971 CB THR A 67 -0.003 -7.997 -8.546 1.00 0.00 C ATOM 972 OG1 THR A 67 0.316 -6.783 -9.221 1.00 0.00 O ATOM 973 CG2 THR A 67 -1.145 -8.593 -9.372 1.00 0.00 C ATOM 0 H THR A 67 -1.428 -5.908 -8.039 1.00 0.00 H new ATOM 0 HA THR A 67 -0.755 -8.426 -6.593 1.00 0.00 H new ATOM 0 HB THR A 67 0.793 -8.734 -8.443 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.622 -6.985 -10.130 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.767 -8.899 -10.348 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.555 -9.460 -8.854 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.927 -7.846 -9.504 1.00 0.00 H new ATOM 981 N LEU A 68 1.644 -7.693 -5.989 1.00 0.00 N ATOM 982 CA LEU A 68 2.768 -7.204 -5.209 1.00 0.00 C ATOM 983 C LEU A 68 4.064 -7.802 -5.759 1.00 0.00 C ATOM 984 O LEU A 68 4.189 -9.020 -5.878 1.00 0.00 O ATOM 985 CB LEU A 68 2.547 -7.480 -3.720 1.00 0.00 C ATOM 986 CG LEU A 68 3.729 -7.172 -2.799 1.00 0.00 C ATOM 987 CD1 LEU A 68 4.320 -5.795 -3.105 1.00 0.00 C ATOM 988 CD2 LEU A 68 3.328 -7.310 -1.328 1.00 0.00 C ATOM 0 H LEU A 68 1.691 -8.683 -6.231 1.00 0.00 H new ATOM 0 HA LEU A 68 2.852 -6.121 -5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.690 -6.896 -3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.283 -8.531 -3.601 1.00 0.00 H new ATOM 0 HG LEU A 68 4.511 -7.907 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.158 -5.602 -2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.667 -5.769 -4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.556 -5.031 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.186 -7.086 -0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.520 -6.614 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.992 -8.329 -1.137 1.00 0.00 H new ATOM 1000 N GLU A 69 4.997 -6.918 -6.082 1.00 0.00 N ATOM 1001 CA GLU A 69 6.279 -7.344 -6.617 1.00 0.00 C ATOM 1002 C GLU A 69 7.396 -6.432 -6.106 1.00 0.00 C ATOM 1003 O GLU A 69 7.466 -5.262 -6.479 1.00 0.00 O ATOM 1004 CB GLU A 69 6.252 -7.374 -8.146 1.00 0.00 C ATOM 1005 CG GLU A 69 7.657 -7.577 -8.716 1.00 0.00 C ATOM 1006 CD GLU A 69 7.596 -8.085 -10.158 1.00 0.00 C ATOM 1007 OE1 GLU A 69 7.208 -9.261 -10.329 1.00 0.00 O ATOM 1008 OE2 GLU A 69 7.939 -7.287 -11.056 1.00 0.00 O ATOM 0 H GLU A 69 4.890 -5.908 -5.983 1.00 0.00 H new ATOM 0 HA GLU A 69 6.477 -8.358 -6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.598 -8.177 -8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.834 -6.441 -8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.207 -6.636 -8.681 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.204 -8.289 -8.099 1.00 0.00 H new ATOM 1015 N LEU A 70 8.242 -7.002 -5.261 1.00 0.00 N ATOM 1016 CA LEU A 70 9.353 -6.255 -4.696 1.00 0.00 C ATOM 1017 C LEU A 70 10.511 -6.236 -5.696 1.00 0.00 C ATOM 1018 O LEU A 70 10.942 -7.284 -6.173 1.00 0.00 O ATOM 1019 CB LEU A 70 9.735 -6.818 -3.325 1.00 0.00 C ATOM 1020 CG LEU A 70 8.625 -6.828 -2.272 1.00 0.00 C ATOM 1021 CD1 LEU A 70 8.170 -5.406 -1.941 1.00 0.00 C ATOM 1022 CD2 LEU A 70 7.459 -7.715 -2.713 1.00 0.00 C ATOM 0 H LEU A 70 8.181 -7.973 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 70 9.065 -5.218 -4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.090 -7.840 -3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.572 -6.238 -2.936 1.00 0.00 H new ATOM 0 HG LEU A 70 9.028 -7.258 -1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.381 -5.442 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.014 -4.835 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.791 -4.926 -2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.684 -7.705 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.049 -7.337 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.813 -8.736 -2.857 1.00 0.00 H new ATOM 1034 N LEU A 71 10.981 -5.031 -5.985 1.00 0.00 N ATOM 1035 CA LEU A 71 12.080 -4.861 -6.920 1.00 0.00 C ATOM 1036 C LEU A 71 13.404 -5.116 -6.196 1.00 0.00 C ATOM 1037 O LEU A 71 13.494 -4.946 -4.981 1.00 0.00 O ATOM 1038 CB LEU A 71 12.002 -3.490 -7.594 1.00 0.00 C ATOM 1039 CG LEU A 71 11.008 -3.366 -8.750 1.00 0.00 C ATOM 1040 CD1 LEU A 71 9.807 -4.291 -8.541 1.00 0.00 C ATOM 1041 CD2 LEU A 71 10.582 -1.911 -8.954 1.00 0.00 C ATOM 0 H LEU A 71 10.621 -4.163 -5.588 1.00 0.00 H new ATOM 0 HA LEU A 71 12.011 -5.591 -7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.743 -2.750 -6.837 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.994 -3.233 -7.965 1.00 0.00 H new ATOM 0 HG LEU A 71 11.506 -3.686 -9.665 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.115 -4.184 -9.377 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.149 -5.324 -8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.300 -4.025 -7.614 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.875 -1.851 -9.782 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.108 -1.540 -8.045 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.458 -1.304 -9.181 1.00 0.00 H new ATOM 1053 N LYS A 72 14.398 -5.520 -6.973 1.00 0.00 N ATOM 1054 CA LYS A 72 15.712 -5.801 -6.422 1.00 0.00 C ATOM 1055 C LYS A 72 16.577 -4.542 -6.511 1.00 0.00 C ATOM 1056 O LYS A 72 17.530 -4.383 -5.749 1.00 0.00 O ATOM 1057 CB LYS A 72 16.331 -7.022 -7.105 1.00 0.00 C ATOM 1058 CG LYS A 72 16.213 -8.264 -6.220 1.00 0.00 C ATOM 1059 CD LYS A 72 17.582 -8.687 -5.683 1.00 0.00 C ATOM 1060 CE LYS A 72 17.698 -10.211 -5.618 1.00 0.00 C ATOM 1061 NZ LYS A 72 18.813 -10.608 -4.730 1.00 0.00 N ATOM 0 H LYS A 72 14.319 -5.659 -7.980 1.00 0.00 H new ATOM 0 HA LYS A 72 15.634 -6.062 -5.366 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.833 -7.201 -8.058 1.00 0.00 H new ATOM 0 HB3 LYS A 72 17.380 -6.827 -7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.539 -8.059 -5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.774 -9.082 -6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 72 18.368 -8.286 -6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 72 17.733 -8.264 -4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.764 -10.637 -5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 72 17.861 -10.612 -6.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 18.878 -11.645 -4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 19.704 -10.217 -5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 18.641 -10.241 -3.772 1.00 0.00 H new ATOM 1075 N PHE A 73 16.215 -3.679 -7.449 1.00 0.00 N ATOM 1076 CA PHE A 73 16.946 -2.439 -7.648 1.00 0.00 C ATOM 1077 C PHE A 73 16.561 -1.783 -8.976 1.00 0.00 C ATOM 1078 O PHE A 73 16.383 -2.467 -9.982 1.00 0.00 O ATOM 1079 CB PHE A 73 18.433 -2.797 -7.682 1.00 0.00 C ATOM 1080 CG PHE A 73 19.294 -1.805 -8.465 1.00 0.00 C ATOM 1081 CD1 PHE A 73 19.662 -0.626 -7.895 1.00 0.00 C ATOM 1082 CD2 PHE A 73 19.693 -2.101 -9.731 1.00 0.00 C ATOM 1083 CE1 PHE A 73 20.462 0.295 -8.622 1.00 0.00 C ATOM 1084 CE2 PHE A 73 20.492 -1.180 -10.458 1.00 0.00 C ATOM 1085 CZ PHE A 73 20.860 -0.001 -9.888 1.00 0.00 C ATOM 0 H PHE A 73 15.425 -3.814 -8.080 1.00 0.00 H new ATOM 0 HA PHE A 73 16.715 -1.738 -6.846 1.00 0.00 H new ATOM 0 HB2 PHE A 73 18.805 -2.857 -6.659 1.00 0.00 H new ATOM 0 HB3 PHE A 73 18.548 -3.788 -8.122 1.00 0.00 H new ATOM 0 HD1 PHE A 73 19.346 -0.390 -6.890 1.00 0.00 H new ATOM 0 HD2 PHE A 73 19.402 -3.037 -10.184 1.00 0.00 H new ATOM 0 HE1 PHE A 73 20.754 1.231 -8.169 1.00 0.00 H new ATOM 0 HE2 PHE A 73 20.808 -1.415 -11.464 1.00 0.00 H new ATOM 0 HZ PHE A 73 21.468 0.700 -10.441 1.00 0.00 H new ATOM 1095 N GLU A 74 16.444 -0.464 -8.935 1.00 0.00 N ATOM 1096 CA GLU A 74 16.084 0.293 -10.122 1.00 0.00 C ATOM 1097 C GLU A 74 17.330 0.922 -10.749 1.00 0.00 C ATOM 1098 O GLU A 74 18.391 0.956 -10.129 1.00 0.00 O ATOM 1099 CB GLU A 74 15.035 1.358 -9.797 1.00 0.00 C ATOM 1100 CG GLU A 74 13.710 1.056 -10.499 1.00 0.00 C ATOM 1101 CD GLU A 74 13.007 2.347 -10.921 1.00 0.00 C ATOM 1102 OE1 GLU A 74 13.383 2.875 -11.990 1.00 0.00 O ATOM 1103 OE2 GLU A 74 12.108 2.778 -10.166 1.00 0.00 O ATOM 0 H GLU A 74 16.592 0.100 -8.098 1.00 0.00 H new ATOM 0 HA GLU A 74 15.644 -0.392 -10.846 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.878 1.401 -8.719 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.399 2.338 -10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.892 0.434 -11.375 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.063 0.486 -9.832 1.00 0.00 H new ATOM 1110 N ASP A 75 17.158 1.407 -11.970 1.00 0.00 N ATOM 1111 CA ASP A 75 18.256 2.034 -12.687 1.00 0.00 C ATOM 1112 C ASP A 75 17.695 3.070 -13.663 1.00 0.00 C ATOM 1113 O ASP A 75 17.638 2.827 -14.867 1.00 0.00 O ATOM 1114 CB ASP A 75 19.046 1.003 -13.495 1.00 0.00 C ATOM 1115 CG ASP A 75 20.504 1.377 -13.771 1.00 0.00 C ATOM 1116 OD1 ASP A 75 20.710 2.250 -14.642 1.00 0.00 O ATOM 1117 OD2 ASP A 75 21.378 0.782 -13.106 1.00 0.00 O ATOM 0 H ASP A 75 16.276 1.379 -12.481 1.00 0.00 H new ATOM 0 HA ASP A 75 18.915 2.500 -11.955 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.025 0.052 -12.962 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.540 0.845 -14.448 1.00 0.00 H new ATOM 1122 N GLU A 76 17.296 4.204 -13.107 1.00 0.00 N ATOM 1123 CA GLU A 76 16.742 5.279 -13.913 1.00 0.00 C ATOM 1124 C GLU A 76 17.154 6.637 -13.342 1.00 0.00 C ATOM 1125 O GLU A 76 17.808 7.427 -14.021 1.00 0.00 O ATOM 1126 CB GLU A 76 15.219 5.163 -14.009 1.00 0.00 C ATOM 1127 CG GLU A 76 14.804 4.455 -15.300 1.00 0.00 C ATOM 1128 CD GLU A 76 13.330 4.717 -15.619 1.00 0.00 C ATOM 1129 OE1 GLU A 76 12.511 4.553 -14.690 1.00 0.00 O ATOM 1130 OE2 GLU A 76 13.057 5.075 -16.785 1.00 0.00 O ATOM 0 H GLU A 76 17.345 4.402 -12.108 1.00 0.00 H new ATOM 0 HA GLU A 76 17.144 5.195 -14.923 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.838 4.612 -13.149 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.772 6.157 -13.975 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.426 4.802 -16.125 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.974 3.383 -15.202 1.00 0.00 H new ATOM 1137 N GLU A 77 16.753 6.868 -12.101 1.00 0.00 N ATOM 1138 CA GLU A 77 17.073 8.117 -11.431 1.00 0.00 C ATOM 1139 C GLU A 77 17.457 7.855 -9.973 1.00 0.00 C ATOM 1140 O GLU A 77 17.490 6.707 -9.533 1.00 0.00 O ATOM 1141 CB GLU A 77 15.905 9.102 -11.521 1.00 0.00 C ATOM 1142 CG GLU A 77 14.677 8.565 -10.783 1.00 0.00 C ATOM 1143 CD GLU A 77 13.445 9.425 -11.072 1.00 0.00 C ATOM 1144 OE1 GLU A 77 13.308 10.466 -10.395 1.00 0.00 O ATOM 1145 OE2 GLU A 77 12.667 9.021 -11.964 1.00 0.00 O ATOM 0 H GLU A 77 16.209 6.211 -11.541 1.00 0.00 H new ATOM 0 HA GLU A 77 17.927 8.569 -11.936 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.200 10.061 -11.095 1.00 0.00 H new ATOM 0 HB3 GLU A 77 15.656 9.281 -12.567 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.486 7.536 -11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.871 8.549 -9.710 1.00 0.00 H new ATOM 1152 N ALA A 78 17.738 8.938 -9.265 1.00 0.00 N ATOM 1153 CA ALA A 78 18.119 8.840 -7.866 1.00 0.00 C ATOM 1154 C ALA A 78 17.091 9.581 -7.009 1.00 0.00 C ATOM 1155 O ALA A 78 16.112 10.114 -7.529 1.00 0.00 O ATOM 1156 CB ALA A 78 19.535 9.389 -7.682 1.00 0.00 C ATOM 0 H ALA A 78 17.710 9.889 -9.634 1.00 0.00 H new ATOM 0 HA ALA A 78 18.129 7.799 -7.543 1.00 0.00 H new ATOM 0 HB1 ALA A 78 19.820 9.315 -6.633 1.00 0.00 H new ATOM 0 HB2 ALA A 78 20.231 8.810 -8.289 1.00 0.00 H new ATOM 0 HB3 ALA A 78 19.564 10.433 -7.993 1.00 0.00 H new ATOM 1162 N GLN A 79 17.349 9.591 -5.709 1.00 0.00 N ATOM 1163 CA GLN A 79 16.458 10.258 -4.775 1.00 0.00 C ATOM 1164 C GLN A 79 15.073 9.609 -4.806 1.00 0.00 C ATOM 1165 O GLN A 79 14.421 9.580 -5.849 1.00 0.00 O ATOM 1166 CB GLN A 79 16.369 11.756 -5.075 1.00 0.00 C ATOM 1167 CG GLN A 79 17.409 12.539 -4.271 1.00 0.00 C ATOM 1168 CD GLN A 79 16.800 13.092 -2.980 1.00 0.00 C ATOM 1169 OE1 GLN A 79 16.488 14.265 -2.863 1.00 0.00 O ATOM 1170 NE2 GLN A 79 16.650 12.183 -2.021 1.00 0.00 N ATOM 0 H GLN A 79 18.162 9.148 -5.281 1.00 0.00 H new ATOM 0 HA GLN A 79 16.867 10.146 -3.771 1.00 0.00 H new ATOM 0 HB2 GLN A 79 16.524 11.927 -6.140 1.00 0.00 H new ATOM 0 HB3 GLN A 79 15.370 12.120 -4.836 1.00 0.00 H new ATOM 0 HG2 GLN A 79 18.252 11.891 -4.031 1.00 0.00 H new ATOM 0 HG3 GLN A 79 17.799 13.359 -4.874 1.00 0.00 H new ATOM 0 HE21 GLN A 79 16.932 11.217 -2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 79 16.253 12.452 -1.121 1.00 0.00 H new ATOM 1179 N ALA A 80 14.664 9.105 -3.651 1.00 0.00 N ATOM 1180 CA ALA A 80 13.368 8.459 -3.533 1.00 0.00 C ATOM 1181 C ALA A 80 13.396 7.130 -4.291 1.00 0.00 C ATOM 1182 O ALA A 80 12.501 6.845 -5.086 1.00 0.00 O ATOM 1183 CB ALA A 80 12.279 9.401 -4.049 1.00 0.00 C ATOM 0 H ALA A 80 15.208 9.131 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 80 13.142 8.240 -2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.307 8.916 -3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 80 12.282 10.318 -3.460 1.00 0.00 H new ATOM 0 HB3 ALA A 80 12.471 9.641 -5.095 1.00 0.00 H new ATOM 1189 N VAL A 81 14.432 6.351 -4.017 1.00 0.00 N ATOM 1190 CA VAL A 81 14.588 5.058 -4.663 1.00 0.00 C ATOM 1191 C VAL A 81 14.977 4.013 -3.615 1.00 0.00 C ATOM 1192 O VAL A 81 14.247 3.048 -3.394 1.00 0.00 O ATOM 1193 CB VAL A 81 15.598 5.163 -5.807 1.00 0.00 C ATOM 1194 CG1 VAL A 81 16.206 3.796 -6.128 1.00 0.00 C ATOM 1195 CG2 VAL A 81 14.957 5.784 -7.049 1.00 0.00 C ATOM 0 H VAL A 81 15.172 6.590 -3.357 1.00 0.00 H new ATOM 0 HA VAL A 81 13.646 4.737 -5.108 1.00 0.00 H new ATOM 0 HB VAL A 81 16.405 5.821 -5.483 1.00 0.00 H new ATOM 0 HG11 VAL A 81 16.921 3.898 -6.945 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.716 3.408 -5.246 1.00 0.00 H new ATOM 0 HG13 VAL A 81 15.415 3.106 -6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.697 5.847 -7.847 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.122 5.164 -7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.595 6.784 -6.810 1.00 0.00 H new ATOM 1205 N TYR A 82 16.127 4.241 -2.997 1.00 0.00 N ATOM 1206 CA TYR A 82 16.622 3.332 -1.978 1.00 0.00 C ATOM 1207 C TYR A 82 17.015 4.091 -0.709 1.00 0.00 C ATOM 1208 O TYR A 82 17.886 4.959 -0.746 1.00 0.00 O ATOM 1209 CB TYR A 82 17.869 2.673 -2.571 1.00 0.00 C ATOM 1210 CG TYR A 82 18.765 1.991 -1.535 1.00 0.00 C ATOM 1211 CD1 TYR A 82 18.547 0.671 -1.197 1.00 0.00 C ATOM 1212 CD2 TYR A 82 19.790 2.696 -0.938 1.00 0.00 C ATOM 1213 CE1 TYR A 82 19.390 0.029 -0.222 1.00 0.00 C ATOM 1214 CE2 TYR A 82 20.633 2.054 0.038 1.00 0.00 C ATOM 1215 CZ TYR A 82 20.391 0.752 0.348 1.00 0.00 C ATOM 1216 OH TYR A 82 21.187 0.146 1.269 1.00 0.00 O ATOM 0 H TYR A 82 16.730 5.042 -3.183 1.00 0.00 H new ATOM 0 HA TYR A 82 15.855 2.607 -1.706 1.00 0.00 H new ATOM 0 HB2 TYR A 82 17.560 1.935 -3.311 1.00 0.00 H new ATOM 0 HB3 TYR A 82 18.451 3.429 -3.098 1.00 0.00 H new ATOM 0 HD1 TYR A 82 17.744 0.119 -1.664 1.00 0.00 H new ATOM 0 HD2 TYR A 82 19.960 3.729 -1.202 1.00 0.00 H new ATOM 0 HE1 TYR A 82 19.231 -1.004 0.051 1.00 0.00 H new ATOM 0 HE2 TYR A 82 21.439 2.594 0.513 1.00 0.00 H new ATOM 0 HH TYR A 82 21.859 0.783 1.590 1.00 0.00 H new ATOM 1226 N SER A 83 16.354 3.737 0.383 1.00 0.00 N ATOM 1227 CA SER A 83 16.623 4.374 1.661 1.00 0.00 C ATOM 1228 C SER A 83 17.827 3.712 2.332 1.00 0.00 C ATOM 1229 O SER A 83 18.295 2.666 1.884 1.00 0.00 O ATOM 1230 CB SER A 83 15.401 4.308 2.578 1.00 0.00 C ATOM 1231 OG SER A 83 14.927 2.974 2.741 1.00 0.00 O ATOM 0 H SER A 83 15.632 3.017 0.409 1.00 0.00 H new ATOM 0 HA SER A 83 16.849 5.425 1.478 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.656 4.724 3.553 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.605 4.928 2.166 1.00 0.00 H new ATOM 0 HG SER A 83 14.147 2.974 3.335 1.00 0.00 H new ATOM 1237 N GLY A 84 18.295 4.347 3.397 1.00 0.00 N ATOM 1238 CA GLY A 84 19.436 3.833 4.135 1.00 0.00 C ATOM 1239 C GLY A 84 19.422 4.328 5.582 1.00 0.00 C ATOM 1240 O GLY A 84 18.362 4.420 6.200 1.00 0.00 O ATOM 0 H GLY A 84 17.904 5.214 3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.422 2.743 4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 84 20.359 4.147 3.649 1.00 0.00 H new ATOM 1244 N PRO A 85 20.642 4.643 6.094 1.00 0.00 N ATOM 1245 CA PRO A 85 20.779 5.127 7.457 1.00 0.00 C ATOM 1246 C PRO A 85 20.317 6.581 7.572 1.00 0.00 C ATOM 1247 O PRO A 85 19.616 6.941 8.516 1.00 0.00 O ATOM 1248 CB PRO A 85 22.250 4.943 7.793 1.00 0.00 C ATOM 1249 CG PRO A 85 22.967 4.799 6.461 1.00 0.00 C ATOM 1250 CD PRO A 85 21.918 4.547 5.391 1.00 0.00 C ATOM 0 HA PRO A 85 20.151 4.582 8.162 1.00 0.00 H new ATOM 0 HB2 PRO A 85 22.633 5.797 8.352 1.00 0.00 H new ATOM 0 HB3 PRO A 85 22.401 4.061 8.415 1.00 0.00 H new ATOM 0 HG2 PRO A 85 23.535 5.701 6.234 1.00 0.00 H new ATOM 0 HG3 PRO A 85 23.680 3.975 6.498 1.00 0.00 H new ATOM 0 HD2 PRO A 85 21.985 5.283 4.590 1.00 0.00 H new ATOM 0 HD3 PRO A 85 22.046 3.566 4.934 1.00 0.00 H new ATOM 1258 N SER A 86 20.729 7.378 6.597 1.00 0.00 N ATOM 1259 CA SER A 86 20.367 8.785 6.576 1.00 0.00 C ATOM 1260 C SER A 86 20.751 9.405 5.232 1.00 0.00 C ATOM 1261 O SER A 86 21.911 9.752 5.013 1.00 0.00 O ATOM 1262 CB SER A 86 21.039 9.544 7.722 1.00 0.00 C ATOM 1263 OG SER A 86 20.388 10.781 7.998 1.00 0.00 O ATOM 0 H SER A 86 21.310 7.076 5.815 1.00 0.00 H new ATOM 0 HA SER A 86 19.288 8.862 6.709 1.00 0.00 H new ATOM 0 HB2 SER A 86 21.035 8.924 8.619 1.00 0.00 H new ATOM 0 HB3 SER A 86 22.083 9.732 7.469 1.00 0.00 H new ATOM 0 HG SER A 86 20.846 11.234 8.737 1.00 0.00 H new ATOM 1269 N SER A 87 19.756 9.526 4.365 1.00 0.00 N ATOM 1270 CA SER A 87 19.975 10.098 3.048 1.00 0.00 C ATOM 1271 C SER A 87 19.677 11.598 3.073 1.00 0.00 C ATOM 1272 O SER A 87 18.535 12.004 3.286 1.00 0.00 O ATOM 1273 CB SER A 87 19.111 9.402 1.994 1.00 0.00 C ATOM 1274 OG SER A 87 19.007 10.169 0.798 1.00 0.00 O ATOM 0 H SER A 87 18.795 9.237 4.550 1.00 0.00 H new ATOM 0 HA SER A 87 21.020 9.946 2.779 1.00 0.00 H new ATOM 0 HB2 SER A 87 19.537 8.426 1.763 1.00 0.00 H new ATOM 0 HB3 SER A 87 18.115 9.227 2.400 1.00 0.00 H new ATOM 0 HG SER A 87 18.449 9.690 0.150 1.00 0.00 H new ATOM 1280 N GLY A 88 20.722 12.381 2.852 1.00 0.00 N ATOM 1281 CA GLY A 88 20.587 13.828 2.846 1.00 0.00 C ATOM 1282 C GLY A 88 21.830 14.493 2.253 1.00 0.00 C ATOM 1283 O GLY A 88 22.770 13.811 1.848 1.00 0.00 O ATOM 0 H GLY A 88 21.667 12.041 2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 88 19.708 14.112 2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 88 20.429 14.186 3.863 1.00 0.00 H new TER 1287 GLY A 88