USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 712 hydrogens (62 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 62 ASN : amide:sc= -0.808 K(o=-0.14,f=0.55) USER MOD Set 1.2: A 64 ASN : amide:sc= 0.669 K(o=-0.14,f=-3.3!) USER MOD Set 2.1: A 11 LYS NZ :NH3+ -135:sc= -1.69! (180deg=-8.94!) USER MOD Set 2.2: A 92 COA O2B : rot 65:sc= 0.257 USER MOD Set 3.1: A 8 SER OG : rot 151:sc= -0.0421 USER MOD Set 3.2: A 9 LYS NZ :NH3+ -135:sc= 1.15 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ 137:sc= -1.71! (180deg=-4.34!) USER MOD Single : A 2 ASN : amide:sc= 0.367 K(o=0.37,f=-3.8!) USER MOD Single : A 5 GLN : amide:sc= -0.354 K(o=-0.35,f=-1.8!) USER MOD Single : A 10 MET CE :methyl -160:sc= -7.62! (180deg=-10.2!) USER MOD Single : A 15 THR OG1 : rot 113:sc= -0.696! USER MOD Single : A 16 TYR OH : rot -156:sc= 0.772 USER MOD Single : A 18 GLN : amide:sc= -4.51! C(o=-4.5!,f=-5.3!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -2.85! C(o=-2.8!,f=-5.1!) USER MOD Single : A 35 HIS : no HE2:sc= 0.763 K(o=0.76,f=-3.1!) USER MOD Single : A 36 ASN : amide:sc= -1.79 K(o=-1.8,f=-9.6!) USER MOD Single : A 37 GLN : amide:sc= -3.02 K(o=-3,f=-8.3!) USER MOD Single : A 39 GLN : amide:sc= 1.22 K(o=1.2,f=-0.022) USER MOD Single : A 40 SER OG : rot -89:sc= 0.273! USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 2.13 K(o=2.1,f=-11!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.495 USER MOD Single : A 49 ASN : amide:sc= 0.535 K(o=0.53,f=-0.52) USER MOD Single : A 52 LYS NZ :NH3+ 150:sc= 0.987 (180deg=0.226) USER MOD Single : A 59 HIS : no HE2:sc= 0.15! C(o=0.15!,f=-4.8!) USER MOD Single : A 60 ASN : amide:sc= -0.71 K(o=-0.71,f=-0.023) USER MOD Single : A 65 ASN : amide:sc= -15.2! C(o=-15!,f=-25!) USER MOD Single : A 68 SER OG : rot -18:sc= 0.451! USER MOD Single : A 71 SER OG : rot 180:sc= -0.0108! USER MOD Single : A 72 LYS NZ :NH3+ -147:sc= -0.0908 (180deg=-0.924) USER MOD Single : A 74 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.21) USER MOD Single : A 76 ASN : amide:sc= -0.425 X(o=-0.43,f=-0.69) USER MOD Single : A 79 TYR OH : rot 70:sc= -3.04! USER MOD Single : A 80 THR OG1 : rot -159:sc= -0.0591 USER MOD Single : A 82 SER OG : rot 72:sc= 0.732 USER MOD Single : A 88 SER OG : rot 6:sc= 0.889 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 COA OAP : rot 103:sc= 0.0457 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -3.939 8.848 5.091 1.00 0.00 N ATOM 2 CA LEU A 1 -4.629 9.449 6.277 1.00 0.00 C ATOM 3 C LEU A 1 -5.408 8.338 7.034 1.00 0.00 C ATOM 4 O LEU A 1 -4.937 7.924 8.076 1.00 0.00 O ATOM 5 CB LEU A 1 -5.615 10.572 5.800 1.00 0.00 C ATOM 6 CG LEU A 1 -5.464 11.847 6.673 1.00 0.00 C ATOM 7 CD1 LEU A 1 -4.124 12.531 6.352 1.00 0.00 C ATOM 8 CD2 LEU A 1 -6.597 12.835 6.321 1.00 0.00 C ATOM 0 H1 LEU A 1 -4.053 9.474 4.269 1.00 0.00 H new ATOM 0 H2 LEU A 1 -2.927 8.732 5.300 1.00 0.00 H new ATOM 0 H3 LEU A 1 -4.357 7.920 4.880 1.00 0.00 H new ATOM 0 HA LEU A 1 -3.892 9.890 6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -5.418 10.815 4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -6.641 10.208 5.854 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.506 11.569 7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -4.017 13.426 6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -3.305 11.845 6.566 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -4.100 12.807 5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -6.498 13.734 6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -6.532 13.102 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.562 12.367 6.518 1.00 0.00 H new ATOM 22 N ASN A 2 -6.529 7.840 6.554 1.00 0.00 N ATOM 23 CA ASN A 2 -7.277 6.754 7.306 1.00 0.00 C ATOM 24 C ASN A 2 -6.586 5.432 6.887 1.00 0.00 C ATOM 25 O ASN A 2 -7.215 4.484 6.462 1.00 0.00 O ATOM 26 CB ASN A 2 -8.778 6.754 6.853 1.00 0.00 C ATOM 27 CG ASN A 2 -9.296 8.149 6.525 1.00 0.00 C ATOM 28 OD1 ASN A 2 -8.830 8.798 5.615 1.00 0.00 O ATOM 29 ND2 ASN A 2 -10.253 8.666 7.221 1.00 0.00 N ATOM 0 H ASN A 2 -6.962 8.133 5.678 1.00 0.00 H new ATOM 0 HA ASN A 2 -7.258 6.895 8.387 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.888 6.115 5.977 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.391 6.320 7.643 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -10.599 9.600 6.999 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -10.663 8.141 7.993 1.00 0.00 H new ATOM 36 N CYS A 3 -5.291 5.444 7.047 1.00 0.00 N ATOM 37 CA CYS A 3 -4.431 4.297 6.684 1.00 0.00 C ATOM 38 C CYS A 3 -3.515 3.613 7.730 1.00 0.00 C ATOM 39 O CYS A 3 -2.307 3.616 7.605 1.00 0.00 O ATOM 40 CB CYS A 3 -3.684 4.864 5.470 1.00 0.00 C ATOM 41 SG CYS A 3 -4.604 4.862 3.912 1.00 0.00 S ATOM 0 H CYS A 3 -4.780 6.239 7.431 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.052 3.416 6.522 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.388 5.889 5.695 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.767 4.291 5.330 1.00 0.00 H new ATOM 46 N GLY A 4 -4.125 3.020 8.732 1.00 0.00 N ATOM 47 CA GLY A 4 -3.321 2.314 9.801 1.00 0.00 C ATOM 48 C GLY A 4 -2.826 1.048 9.105 1.00 0.00 C ATOM 49 O GLY A 4 -1.638 0.832 8.975 1.00 0.00 O ATOM 0 H GLY A 4 -5.136 2.991 8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.492 2.929 10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.932 2.079 10.672 1.00 0.00 H new ATOM 53 N GLN A 5 -3.753 0.228 8.667 1.00 0.00 N ATOM 54 CA GLN A 5 -3.388 -1.045 7.945 1.00 0.00 C ATOM 55 C GLN A 5 -2.243 -0.752 6.956 1.00 0.00 C ATOM 56 O GLN A 5 -1.389 -1.580 6.714 1.00 0.00 O ATOM 57 CB GLN A 5 -4.574 -1.598 7.120 1.00 0.00 C ATOM 58 CG GLN A 5 -5.596 -2.416 7.952 1.00 0.00 C ATOM 59 CD GLN A 5 -6.592 -3.038 6.974 1.00 0.00 C ATOM 60 OE1 GLN A 5 -6.241 -3.852 6.146 1.00 0.00 O ATOM 61 NE2 GLN A 5 -7.831 -2.684 7.034 1.00 0.00 N ATOM 0 H GLN A 5 -4.755 0.383 8.777 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.100 -1.778 8.699 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.092 -0.765 6.645 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.184 -2.229 6.321 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.089 -3.191 8.528 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.111 -1.773 8.666 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.133 -2.000 7.728 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.509 -3.088 6.388 1.00 0.00 H new ATOM 70 N VAL A 6 -2.269 0.437 6.411 1.00 0.00 N ATOM 71 CA VAL A 6 -1.224 0.861 5.432 1.00 0.00 C ATOM 72 C VAL A 6 0.100 0.999 6.223 1.00 0.00 C ATOM 73 O VAL A 6 1.049 0.285 5.937 1.00 0.00 O ATOM 74 CB VAL A 6 -1.647 2.213 4.789 1.00 0.00 C ATOM 75 CG1 VAL A 6 -0.738 2.476 3.652 1.00 0.00 C ATOM 76 CG2 VAL A 6 -3.076 2.152 4.212 1.00 0.00 C ATOM 0 H VAL A 6 -2.980 1.142 6.606 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.099 0.139 4.625 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.605 2.984 5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.010 3.420 3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.289 2.534 4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.822 1.669 2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.332 3.116 3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.126 1.379 3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.781 1.918 5.010 1.00 0.00 H new ATOM 86 N ASP A 7 0.113 1.903 7.168 1.00 0.00 N ATOM 87 CA ASP A 7 1.295 2.160 8.046 1.00 0.00 C ATOM 88 C ASP A 7 1.970 0.813 8.449 1.00 0.00 C ATOM 89 O ASP A 7 3.167 0.623 8.546 1.00 0.00 O ATOM 90 CB ASP A 7 0.728 2.897 9.242 1.00 0.00 C ATOM 91 CG ASP A 7 1.778 3.191 10.294 1.00 0.00 C ATOM 92 OD1 ASP A 7 2.931 3.368 9.938 1.00 0.00 O ATOM 93 OD2 ASP A 7 1.309 3.234 11.414 1.00 0.00 O ATOM 0 H ASP A 7 -0.687 2.501 7.376 1.00 0.00 H new ATOM 0 HA ASP A 7 2.074 2.744 7.556 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.280 3.833 8.909 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.070 2.302 9.686 1.00 0.00 H new ATOM 98 N SER A 8 1.061 -0.095 8.679 1.00 0.00 N ATOM 99 CA SER A 8 1.454 -1.476 9.089 1.00 0.00 C ATOM 100 C SER A 8 1.859 -2.477 8.008 1.00 0.00 C ATOM 101 O SER A 8 2.844 -3.143 8.261 1.00 0.00 O ATOM 102 CB SER A 8 0.318 -2.153 9.878 1.00 0.00 C ATOM 103 OG SER A 8 0.858 -3.441 10.218 1.00 0.00 O ATOM 0 H SER A 8 0.056 0.060 8.600 1.00 0.00 H new ATOM 0 HA SER A 8 2.356 -1.268 9.665 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.054 -1.582 10.768 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.587 -2.244 9.278 1.00 0.00 H new ATOM 0 HG SER A 8 0.458 -3.753 11.057 1.00 0.00 H new ATOM 109 N LYS A 9 1.177 -2.629 6.893 1.00 0.00 N ATOM 110 CA LYS A 9 1.644 -3.647 5.881 1.00 0.00 C ATOM 111 C LYS A 9 2.195 -3.045 4.546 1.00 0.00 C ATOM 112 O LYS A 9 2.626 -3.785 3.677 1.00 0.00 O ATOM 113 CB LYS A 9 0.424 -4.645 5.564 1.00 0.00 C ATOM 114 CG LYS A 9 -0.807 -4.655 6.507 1.00 0.00 C ATOM 115 CD LYS A 9 -0.457 -4.897 7.971 1.00 0.00 C ATOM 116 CE LYS A 9 -0.149 -6.325 8.365 1.00 0.00 C ATOM 117 NZ LYS A 9 0.474 -6.191 9.723 1.00 0.00 N ATOM 0 H LYS A 9 0.337 -2.108 6.640 1.00 0.00 H new ATOM 0 HA LYS A 9 2.491 -4.166 6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.067 -4.418 4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.826 -5.658 5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.328 -3.701 6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.501 -5.428 6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.406 -4.280 8.222 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.288 -4.546 8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.051 -6.935 8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.531 -6.798 7.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.320 -6.794 9.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.744 -5.200 9.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.209 -6.486 10.449 1.00 0.00 H new ATOM 131 N MET A 10 2.168 -1.744 4.425 1.00 0.00 N ATOM 132 CA MET A 10 2.663 -1.073 3.186 1.00 0.00 C ATOM 133 C MET A 10 3.813 -0.105 3.449 1.00 0.00 C ATOM 134 O MET A 10 4.640 0.106 2.580 1.00 0.00 O ATOM 135 CB MET A 10 1.509 -0.338 2.570 1.00 0.00 C ATOM 136 CG MET A 10 0.233 -1.263 2.562 1.00 0.00 C ATOM 137 SD MET A 10 0.536 -2.948 1.974 1.00 0.00 S ATOM 138 CE MET A 10 1.261 -2.635 0.353 1.00 0.00 C ATOM 0 H MET A 10 1.819 -1.109 5.142 1.00 0.00 H new ATOM 0 HA MET A 10 3.056 -1.838 2.516 1.00 0.00 H new ATOM 0 HB2 MET A 10 1.305 0.574 3.131 1.00 0.00 H new ATOM 0 HB3 MET A 10 1.758 -0.037 1.552 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.172 -1.311 3.573 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.530 -0.804 1.934 1.00 0.00 H new ATOM 0 HE1 MET A 10 1.174 -3.530 -0.264 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.735 -1.810 -0.128 1.00 0.00 H new ATOM 0 HE3 MET A 10 2.313 -2.376 0.469 1.00 0.00 H new ATOM 148 N LYS A 11 3.791 0.464 4.626 1.00 0.00 N ATOM 149 CA LYS A 11 4.835 1.418 5.073 1.00 0.00 C ATOM 150 C LYS A 11 6.224 1.154 4.426 1.00 0.00 C ATOM 151 O LYS A 11 6.671 1.975 3.650 1.00 0.00 O ATOM 152 CB LYS A 11 4.754 1.260 6.574 1.00 0.00 C ATOM 153 CG LYS A 11 5.905 1.790 7.396 1.00 0.00 C ATOM 154 CD LYS A 11 5.865 3.336 7.439 1.00 0.00 C ATOM 155 CE LYS A 11 6.822 3.816 6.407 1.00 0.00 C ATOM 156 NZ LYS A 11 6.842 5.295 6.367 1.00 0.00 N ATOM 0 H LYS A 11 3.061 0.296 5.318 1.00 0.00 H new ATOM 0 HA LYS A 11 4.682 2.452 4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.843 1.752 6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.644 0.198 6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.853 1.390 8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.850 1.455 6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.859 3.703 7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.144 3.703 8.427 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.821 3.439 6.625 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.540 3.424 5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.812 5.616 5.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.015 5.667 6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.712 5.643 6.818 1.00 0.00 H new ATOM 170 N PRO A 12 6.858 0.038 4.735 1.00 0.00 N ATOM 171 CA PRO A 12 8.217 -0.290 4.206 1.00 0.00 C ATOM 172 C PRO A 12 8.250 -0.457 2.683 1.00 0.00 C ATOM 173 O PRO A 12 9.274 -0.304 2.044 1.00 0.00 O ATOM 174 CB PRO A 12 8.590 -1.559 4.933 1.00 0.00 C ATOM 175 CG PRO A 12 7.188 -2.228 5.101 1.00 0.00 C ATOM 176 CD PRO A 12 6.362 -1.071 5.615 1.00 0.00 C ATOM 0 HA PRO A 12 8.926 0.519 4.381 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.276 -2.179 4.356 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.070 -1.360 5.891 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.805 -2.619 4.159 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.212 -3.060 5.805 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.292 -1.243 5.500 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.541 -0.872 6.672 1.00 0.00 H new ATOM 184 N CYS A 13 7.090 -0.745 2.155 1.00 0.00 N ATOM 185 CA CYS A 13 7.000 -0.953 0.671 1.00 0.00 C ATOM 186 C CYS A 13 6.978 0.359 -0.061 1.00 0.00 C ATOM 187 O CYS A 13 7.700 0.566 -1.026 1.00 0.00 O ATOM 188 CB CYS A 13 5.741 -1.724 0.343 1.00 0.00 C ATOM 189 SG CYS A 13 5.750 -3.439 0.894 1.00 0.00 S ATOM 0 H CYS A 13 6.215 -0.845 2.670 1.00 0.00 H new ATOM 0 HA CYS A 13 7.879 -1.514 0.353 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.890 -1.215 0.795 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.588 -1.703 -0.736 1.00 0.00 H new ATOM 194 N LEU A 14 6.162 1.262 0.403 1.00 0.00 N ATOM 195 CA LEU A 14 6.176 2.537 -0.343 1.00 0.00 C ATOM 196 C LEU A 14 7.498 3.200 0.010 1.00 0.00 C ATOM 197 O LEU A 14 8.175 3.602 -0.918 1.00 0.00 O ATOM 198 CB LEU A 14 5.029 3.400 0.071 1.00 0.00 C ATOM 199 CG LEU A 14 4.751 4.316 -1.102 1.00 0.00 C ATOM 200 CD1 LEU A 14 3.313 4.766 -0.972 1.00 0.00 C ATOM 201 CD2 LEU A 14 5.643 5.552 -0.953 1.00 0.00 C ATOM 0 H LEU A 14 5.534 1.184 1.203 1.00 0.00 H new ATOM 0 HA LEU A 14 6.078 2.378 -1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.153 2.797 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.275 3.974 0.964 1.00 0.00 H new ATOM 0 HG LEU A 14 4.935 3.819 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.064 5.431 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.656 3.896 -0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.181 5.295 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.464 6.232 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.411 6.057 -0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.690 5.247 -0.951 1.00 0.00 H new ATOM 213 N THR A 15 7.866 3.308 1.278 1.00 0.00 N ATOM 214 CA THR A 15 9.204 3.968 1.613 1.00 0.00 C ATOM 215 C THR A 15 10.184 3.431 0.574 1.00 0.00 C ATOM 216 O THR A 15 10.814 4.146 -0.184 1.00 0.00 O ATOM 217 CB THR A 15 9.665 3.575 3.039 1.00 0.00 C ATOM 218 OG1 THR A 15 9.392 2.188 3.135 1.00 0.00 O ATOM 219 CG2 THR A 15 8.774 4.207 4.078 1.00 0.00 C ATOM 0 H THR A 15 7.323 2.982 2.078 1.00 0.00 H new ATOM 0 HA THR A 15 9.136 5.056 1.592 1.00 0.00 H new ATOM 0 HB THR A 15 10.703 3.869 3.196 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.235 1.691 3.186 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.114 3.919 5.073 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.814 5.292 3.981 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.748 3.868 3.933 1.00 0.00 H new ATOM 227 N TYR A 16 10.277 2.134 0.584 1.00 0.00 N ATOM 228 CA TYR A 16 11.169 1.407 -0.382 1.00 0.00 C ATOM 229 C TYR A 16 11.143 2.054 -1.790 1.00 0.00 C ATOM 230 O TYR A 16 12.174 2.456 -2.298 1.00 0.00 O ATOM 231 CB TYR A 16 10.673 -0.032 -0.418 1.00 0.00 C ATOM 232 CG TYR A 16 11.115 -0.879 -1.617 1.00 0.00 C ATOM 233 CD1 TYR A 16 12.435 -1.186 -1.875 1.00 0.00 C ATOM 234 CD2 TYR A 16 10.140 -1.372 -2.453 1.00 0.00 C ATOM 235 CE1 TYR A 16 12.765 -1.988 -2.962 1.00 0.00 C ATOM 236 CE2 TYR A 16 10.483 -2.164 -3.523 1.00 0.00 C ATOM 237 CZ TYR A 16 11.783 -2.479 -3.786 1.00 0.00 C ATOM 238 OH TYR A 16 12.046 -3.298 -4.862 1.00 0.00 O ATOM 0 H TYR A 16 9.768 1.529 1.228 1.00 0.00 H new ATOM 0 HA TYR A 16 12.209 1.456 -0.061 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.006 -0.530 0.493 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.583 -0.018 -0.394 1.00 0.00 H new ATOM 0 HD1 TYR A 16 13.213 -0.803 -1.232 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.102 -1.136 -2.268 1.00 0.00 H new ATOM 0 HE1 TYR A 16 13.800 -2.226 -3.159 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.706 -2.545 -4.169 1.00 0.00 H new ATOM 0 HH TYR A 16 11.318 -3.225 -5.514 1.00 0.00 H new ATOM 248 N VAL A 17 9.988 2.166 -2.409 1.00 0.00 N ATOM 249 CA VAL A 17 9.955 2.795 -3.787 1.00 0.00 C ATOM 250 C VAL A 17 10.508 4.194 -3.818 1.00 0.00 C ATOM 251 O VAL A 17 11.242 4.509 -4.731 1.00 0.00 O ATOM 252 CB VAL A 17 8.519 2.848 -4.389 1.00 0.00 C ATOM 253 CG1 VAL A 17 7.874 1.555 -4.061 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.584 3.953 -3.903 1.00 0.00 C ATOM 0 H VAL A 17 9.088 1.861 -2.039 1.00 0.00 H new ATOM 0 HA VAL A 17 10.589 2.141 -4.386 1.00 0.00 H new ATOM 0 HB VAL A 17 8.663 3.057 -5.449 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.861 1.542 -4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.449 0.740 -4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.837 1.431 -2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.622 3.864 -4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.439 3.859 -2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.023 4.925 -4.127 1.00 0.00 H new ATOM 264 N GLN A 18 10.145 5.009 -2.863 1.00 0.00 N ATOM 265 CA GLN A 18 10.687 6.399 -2.855 1.00 0.00 C ATOM 266 C GLN A 18 12.126 6.407 -2.272 1.00 0.00 C ATOM 267 O GLN A 18 12.737 7.456 -2.228 1.00 0.00 O ATOM 268 CB GLN A 18 9.703 7.295 -2.029 1.00 0.00 C ATOM 269 CG GLN A 18 9.345 6.606 -0.670 1.00 0.00 C ATOM 270 CD GLN A 18 8.402 7.385 0.238 1.00 0.00 C ATOM 271 OE1 GLN A 18 7.759 6.825 1.095 1.00 0.00 O ATOM 272 NE2 GLN A 18 8.271 8.661 0.113 1.00 0.00 N ATOM 0 H GLN A 18 9.508 4.778 -2.101 1.00 0.00 H new ATOM 0 HA GLN A 18 10.760 6.799 -3.867 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.158 8.268 -1.842 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.794 7.473 -2.604 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.896 5.636 -0.883 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.270 6.416 -0.125 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.801 9.161 -0.601 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.638 9.171 0.728 1.00 0.00 H new ATOM 281 N GLY A 19 12.602 5.261 -1.835 1.00 0.00 N ATOM 282 CA GLY A 19 13.989 5.110 -1.257 1.00 0.00 C ATOM 283 C GLY A 19 14.116 5.147 0.275 1.00 0.00 C ATOM 284 O GLY A 19 14.994 5.811 0.794 1.00 0.00 O ATOM 0 H GLY A 19 12.069 4.391 -1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.401 4.164 -1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.615 5.902 -1.668 1.00 0.00 H new ATOM 288 N GLY A 20 13.259 4.446 0.962 1.00 0.00 N ATOM 289 CA GLY A 20 13.318 4.432 2.470 1.00 0.00 C ATOM 290 C GLY A 20 13.618 3.040 3.046 1.00 0.00 C ATOM 291 O GLY A 20 13.984 2.140 2.316 1.00 0.00 O ATOM 0 H GLY A 20 12.516 3.878 0.554 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.085 5.131 2.805 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.368 4.787 2.869 1.00 0.00 H new ATOM 295 N PRO A 21 13.471 2.868 4.344 1.00 0.00 N ATOM 296 CA PRO A 21 13.566 1.505 4.966 1.00 0.00 C ATOM 297 C PRO A 21 12.723 0.484 4.165 1.00 0.00 C ATOM 298 O PRO A 21 11.697 0.863 3.634 1.00 0.00 O ATOM 299 CB PRO A 21 13.088 1.753 6.418 1.00 0.00 C ATOM 300 CG PRO A 21 12.292 3.086 6.307 1.00 0.00 C ATOM 301 CD PRO A 21 13.169 3.913 5.360 1.00 0.00 C ATOM 0 HA PRO A 21 14.562 1.062 4.960 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.461 0.938 6.780 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.927 1.841 7.109 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.292 2.930 5.903 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.172 3.570 7.276 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.642 4.769 4.939 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.065 4.298 5.846 1.00 0.00 H new ATOM 309 N GLY A 22 13.146 -0.754 4.109 1.00 0.00 N ATOM 310 CA GLY A 22 12.388 -1.821 3.343 1.00 0.00 C ATOM 311 C GLY A 22 13.203 -2.291 2.111 1.00 0.00 C ATOM 312 O GLY A 22 14.287 -1.790 1.896 1.00 0.00 O ATOM 0 H GLY A 22 13.996 -1.086 4.565 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.184 -2.669 3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.424 -1.429 3.020 1.00 0.00 H new ATOM 316 N PRO A 23 12.692 -3.232 1.340 1.00 0.00 N ATOM 317 CA PRO A 23 11.383 -3.929 1.547 1.00 0.00 C ATOM 318 C PRO A 23 11.573 -5.126 2.514 1.00 0.00 C ATOM 319 O PRO A 23 10.765 -5.447 3.368 1.00 0.00 O ATOM 320 CB PRO A 23 11.006 -4.294 0.125 1.00 0.00 C ATOM 321 CG PRO A 23 12.367 -4.730 -0.483 1.00 0.00 C ATOM 322 CD PRO A 23 13.383 -3.725 0.102 1.00 0.00 C ATOM 0 HA PRO A 23 10.593 -3.351 2.025 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.271 -5.099 0.094 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.575 -3.448 -0.410 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.616 -5.755 -0.207 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.348 -4.689 -1.572 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.335 -4.202 0.334 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.594 -2.913 -0.594 1.00 0.00 H new ATOM 330 N SER A 24 12.705 -5.718 2.290 1.00 0.00 N ATOM 331 CA SER A 24 13.212 -6.899 3.038 1.00 0.00 C ATOM 332 C SER A 24 12.215 -7.996 3.462 1.00 0.00 C ATOM 333 O SER A 24 12.116 -8.996 2.780 1.00 0.00 O ATOM 334 CB SER A 24 13.921 -6.253 4.209 1.00 0.00 C ATOM 335 OG SER A 24 14.967 -5.534 3.551 1.00 0.00 O ATOM 0 H SER A 24 13.347 -5.405 1.562 1.00 0.00 H new ATOM 0 HA SER A 24 13.834 -7.510 2.384 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.262 -5.593 4.773 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.310 -6.991 4.911 1.00 0.00 H new ATOM 0 HG SER A 24 15.508 -5.061 4.217 1.00 0.00 H new ATOM 341 N GLY A 25 11.522 -7.778 4.548 1.00 0.00 N ATOM 342 CA GLY A 25 10.512 -8.762 5.093 1.00 0.00 C ATOM 343 C GLY A 25 9.145 -8.119 5.340 1.00 0.00 C ATOM 344 O GLY A 25 8.154 -8.561 4.780 1.00 0.00 O ATOM 0 H GLY A 25 11.611 -6.929 5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.400 -9.589 4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.886 -9.183 6.026 1.00 0.00 H new ATOM 348 N GLU A 26 9.147 -7.099 6.180 1.00 0.00 N ATOM 349 CA GLU A 26 7.870 -6.377 6.505 1.00 0.00 C ATOM 350 C GLU A 26 7.188 -5.894 5.223 1.00 0.00 C ATOM 351 O GLU A 26 5.974 -5.866 5.156 1.00 0.00 O ATOM 352 CB GLU A 26 8.166 -5.165 7.495 1.00 0.00 C ATOM 353 CG GLU A 26 9.250 -4.128 7.018 1.00 0.00 C ATOM 354 CD GLU A 26 9.240 -2.863 7.909 1.00 0.00 C ATOM 355 OE1 GLU A 26 8.194 -2.240 8.005 1.00 0.00 O ATOM 356 OE2 GLU A 26 10.309 -2.602 8.433 1.00 0.00 O ATOM 0 H GLU A 26 9.977 -6.739 6.651 1.00 0.00 H new ATOM 0 HA GLU A 26 7.188 -7.066 7.004 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.233 -4.629 7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.483 -5.575 8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.237 -4.589 7.047 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.059 -3.848 5.982 1.00 0.00 H new ATOM 363 N CYS A 27 7.949 -5.528 4.225 1.00 0.00 N ATOM 364 CA CYS A 27 7.273 -5.067 2.983 1.00 0.00 C ATOM 365 C CYS A 27 6.474 -6.201 2.351 1.00 0.00 C ATOM 366 O CYS A 27 5.307 -6.069 2.076 1.00 0.00 O ATOM 367 CB CYS A 27 8.291 -4.605 2.000 1.00 0.00 C ATOM 368 SG CYS A 27 7.580 -4.131 0.404 1.00 0.00 S ATOM 0 H CYS A 27 8.969 -5.528 4.214 1.00 0.00 H new ATOM 0 HA CYS A 27 6.599 -4.252 3.246 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.829 -3.754 2.417 1.00 0.00 H new ATOM 0 HB3 CYS A 27 9.022 -5.399 1.843 1.00 0.00 H new ATOM 373 N CYS A 28 7.119 -7.306 2.144 1.00 0.00 N ATOM 374 CA CYS A 28 6.423 -8.463 1.525 1.00 0.00 C ATOM 375 C CYS A 28 5.283 -9.015 2.352 1.00 0.00 C ATOM 376 O CYS A 28 4.165 -9.101 1.873 1.00 0.00 O ATOM 377 CB CYS A 28 7.477 -9.536 1.255 1.00 0.00 C ATOM 378 SG CYS A 28 8.628 -9.139 -0.078 1.00 0.00 S ATOM 0 H CYS A 28 8.100 -7.461 2.376 1.00 0.00 H new ATOM 0 HA CYS A 28 5.949 -8.125 0.603 1.00 0.00 H new ATOM 0 HB2 CYS A 28 8.045 -9.707 2.169 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.971 -10.471 1.014 1.00 0.00 H new ATOM 383 N ASN A 29 5.562 -9.352 3.588 1.00 0.00 N ATOM 384 CA ASN A 29 4.434 -9.906 4.388 1.00 0.00 C ATOM 385 C ASN A 29 3.362 -8.840 4.554 1.00 0.00 C ATOM 386 O ASN A 29 2.212 -9.187 4.684 1.00 0.00 O ATOM 387 CB ASN A 29 4.945 -10.384 5.768 1.00 0.00 C ATOM 388 CG ASN A 29 5.467 -9.264 6.641 1.00 0.00 C ATOM 389 OD1 ASN A 29 4.848 -8.258 6.883 1.00 0.00 O ATOM 390 ND2 ASN A 29 6.631 -9.375 7.175 1.00 0.00 N ATOM 0 H ASN A 29 6.466 -9.274 4.053 1.00 0.00 H new ATOM 0 HA ASN A 29 4.005 -10.762 3.868 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.135 -10.893 6.290 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.738 -11.117 5.619 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.991 -8.631 7.773 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.195 -10.207 7.001 1.00 0.00 H new ATOM 397 N GLY A 30 3.779 -7.602 4.537 1.00 0.00 N ATOM 398 CA GLY A 30 2.845 -6.468 4.684 1.00 0.00 C ATOM 399 C GLY A 30 1.992 -6.427 3.412 1.00 0.00 C ATOM 400 O GLY A 30 0.807 -6.630 3.478 1.00 0.00 O ATOM 0 H GLY A 30 4.756 -7.332 4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.217 -6.596 5.566 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.390 -5.533 4.814 1.00 0.00 H new ATOM 404 N VAL A 31 2.599 -6.163 2.297 1.00 0.00 N ATOM 405 CA VAL A 31 1.904 -6.111 0.979 1.00 0.00 C ATOM 406 C VAL A 31 0.954 -7.296 0.869 1.00 0.00 C ATOM 407 O VAL A 31 -0.209 -7.166 0.541 1.00 0.00 O ATOM 408 CB VAL A 31 3.037 -6.133 -0.043 1.00 0.00 C ATOM 409 CG1 VAL A 31 2.550 -6.630 -1.357 1.00 0.00 C ATOM 410 CG2 VAL A 31 3.507 -4.761 -0.298 1.00 0.00 C ATOM 0 H VAL A 31 3.599 -5.971 2.239 1.00 0.00 H new ATOM 0 HA VAL A 31 1.281 -5.229 0.828 1.00 0.00 H new ATOM 0 HB VAL A 31 3.822 -6.772 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.374 -6.638 -2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.160 -7.641 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.759 -5.976 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.316 -4.783 -1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.684 -4.161 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.869 -4.322 0.631 1.00 0.00 H new ATOM 420 N ARG A 32 1.509 -8.442 1.160 1.00 0.00 N ATOM 421 CA ARG A 32 0.731 -9.712 1.109 1.00 0.00 C ATOM 422 C ARG A 32 -0.457 -9.570 2.101 1.00 0.00 C ATOM 423 O ARG A 32 -1.614 -9.622 1.717 1.00 0.00 O ATOM 424 CB ARG A 32 1.783 -10.781 1.459 1.00 0.00 C ATOM 425 CG ARG A 32 1.368 -12.186 0.974 1.00 0.00 C ATOM 426 CD ARG A 32 0.248 -12.726 1.864 1.00 0.00 C ATOM 427 NE ARG A 32 0.856 -13.072 3.208 1.00 0.00 N ATOM 428 CZ ARG A 32 0.768 -12.268 4.195 1.00 0.00 C ATOM 429 NH1 ARG A 32 -0.352 -12.033 4.709 1.00 0.00 N ATOM 430 NH2 ARG A 32 1.800 -11.712 4.643 1.00 0.00 N ATOM 0 H ARG A 32 2.485 -8.552 1.435 1.00 0.00 H new ATOM 0 HA ARG A 32 0.266 -9.975 0.159 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.738 -10.510 1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.934 -10.801 2.538 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.033 -12.140 -0.062 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.225 -12.859 1.002 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.540 -11.982 1.981 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.209 -13.607 1.412 1.00 0.00 H new ATOM 0 HE ARG A 32 1.343 -13.961 3.326 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.188 -12.484 4.338 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.426 -11.391 5.498 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.707 -11.903 4.218 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.731 -11.069 5.432 1.00 0.00 H new ATOM 444 N ASP A 33 -0.129 -9.404 3.359 1.00 0.00 N ATOM 445 CA ASP A 33 -1.169 -9.233 4.443 1.00 0.00 C ATOM 446 C ASP A 33 -2.273 -8.343 3.901 1.00 0.00 C ATOM 447 O ASP A 33 -3.432 -8.686 3.907 1.00 0.00 O ATOM 448 CB ASP A 33 -0.538 -8.575 5.666 1.00 0.00 C ATOM 449 CG ASP A 33 -0.285 -9.535 6.798 1.00 0.00 C ATOM 450 OD1 ASP A 33 0.612 -10.336 6.646 1.00 0.00 O ATOM 451 OD2 ASP A 33 -1.017 -9.430 7.760 1.00 0.00 O ATOM 0 H ASP A 33 0.834 -9.378 3.695 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.571 -10.203 4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.405 -8.112 5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.191 -7.775 6.017 1.00 0.00 H new ATOM 456 N LEU A 34 -1.858 -7.205 3.441 1.00 0.00 N ATOM 457 CA LEU A 34 -2.781 -6.205 2.859 1.00 0.00 C ATOM 458 C LEU A 34 -3.581 -6.945 1.787 1.00 0.00 C ATOM 459 O LEU A 34 -4.787 -6.955 1.885 1.00 0.00 O ATOM 460 CB LEU A 34 -1.915 -5.062 2.303 1.00 0.00 C ATOM 461 CG LEU A 34 -2.051 -3.704 3.077 1.00 0.00 C ATOM 462 CD1 LEU A 34 -2.583 -2.631 2.158 1.00 0.00 C ATOM 463 CD2 LEU A 34 -2.989 -3.676 4.244 1.00 0.00 C ATOM 0 H LEU A 34 -0.880 -6.917 3.445 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.483 -5.764 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.870 -5.373 2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.180 -4.898 1.258 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.036 -3.549 3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.673 -1.694 2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.898 -2.497 1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.562 -2.927 1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.988 -2.680 4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.996 -3.922 3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.667 -4.405 4.988 1.00 0.00 H new ATOM 475 N HIS A 35 -2.954 -7.557 0.814 1.00 0.00 N ATOM 476 CA HIS A 35 -3.757 -8.285 -0.233 1.00 0.00 C ATOM 477 C HIS A 35 -4.691 -9.332 0.445 1.00 0.00 C ATOM 478 O HIS A 35 -5.592 -9.867 -0.165 1.00 0.00 O ATOM 479 CB HIS A 35 -2.736 -8.935 -1.225 1.00 0.00 C ATOM 480 CG HIS A 35 -3.411 -9.356 -2.550 1.00 0.00 C ATOM 481 ND1 HIS A 35 -2.832 -9.967 -3.537 1.00 0.00 N ATOM 482 CD2 HIS A 35 -4.715 -9.195 -2.993 1.00 0.00 C ATOM 483 CE1 HIS A 35 -3.682 -10.169 -4.495 1.00 0.00 C ATOM 484 NE2 HIS A 35 -4.865 -9.704 -4.199 1.00 0.00 N ATOM 0 H HIS A 35 -1.942 -7.589 0.694 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.411 -7.611 -0.786 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.933 -8.228 -1.435 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.279 -9.807 -0.757 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -1.852 -10.247 -3.557 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.501 -8.717 -2.427 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.440 -10.662 -5.425 1.00 0.00 H new ATOM 492 N ASN A 36 -4.456 -9.610 1.704 1.00 0.00 N ATOM 493 CA ASN A 36 -5.285 -10.599 2.489 1.00 0.00 C ATOM 494 C ASN A 36 -6.342 -9.938 3.389 1.00 0.00 C ATOM 495 O ASN A 36 -7.349 -10.554 3.668 1.00 0.00 O ATOM 496 CB ASN A 36 -4.359 -11.473 3.393 1.00 0.00 C ATOM 497 CG ASN A 36 -3.309 -12.188 2.576 1.00 0.00 C ATOM 498 OD1 ASN A 36 -2.372 -12.757 3.090 1.00 0.00 O ATOM 499 ND2 ASN A 36 -3.401 -12.208 1.293 1.00 0.00 N ATOM 0 H ASN A 36 -3.702 -9.183 2.242 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.808 -11.203 1.747 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.875 -10.842 4.139 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.960 -12.203 3.935 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.696 -12.694 0.739 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.179 -11.738 0.830 1.00 0.00 H new ATOM 506 N GLN A 37 -6.085 -8.728 3.803 1.00 0.00 N ATOM 507 CA GLN A 37 -7.035 -7.978 4.699 1.00 0.00 C ATOM 508 C GLN A 37 -7.699 -6.707 4.112 1.00 0.00 C ATOM 509 O GLN A 37 -8.753 -6.299 4.553 1.00 0.00 O ATOM 510 CB GLN A 37 -6.304 -7.560 6.023 1.00 0.00 C ATOM 511 CG GLN A 37 -4.900 -6.901 5.781 1.00 0.00 C ATOM 512 CD GLN A 37 -3.766 -7.559 6.581 1.00 0.00 C ATOM 513 OE1 GLN A 37 -2.976 -6.877 7.194 1.00 0.00 O ATOM 514 NE2 GLN A 37 -3.602 -8.837 6.642 1.00 0.00 N ATOM 0 H GLN A 37 -5.241 -8.210 3.557 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.844 -8.691 4.856 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.935 -6.861 6.572 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.180 -8.440 6.654 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.662 -6.953 4.719 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.954 -5.845 6.044 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.240 -9.457 6.144 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.834 -9.227 7.189 1.00 0.00 H new ATOM 523 N ALA A 38 -7.080 -6.114 3.126 1.00 0.00 N ATOM 524 CA ALA A 38 -7.676 -4.872 2.518 1.00 0.00 C ATOM 525 C ALA A 38 -8.741 -5.199 1.448 1.00 0.00 C ATOM 526 O ALA A 38 -9.192 -4.315 0.744 1.00 0.00 O ATOM 527 CB ALA A 38 -6.528 -4.025 1.884 1.00 0.00 C ATOM 0 H ALA A 38 -6.200 -6.425 2.715 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.177 -4.311 3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.945 -3.122 1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.809 -3.751 2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.027 -4.611 1.113 1.00 0.00 H new ATOM 533 N GLN A 39 -9.148 -6.440 1.346 1.00 0.00 N ATOM 534 CA GLN A 39 -10.183 -6.836 0.332 1.00 0.00 C ATOM 535 C GLN A 39 -11.613 -6.469 0.848 1.00 0.00 C ATOM 536 O GLN A 39 -12.548 -7.244 0.858 1.00 0.00 O ATOM 537 CB GLN A 39 -10.000 -8.376 0.080 1.00 0.00 C ATOM 538 CG GLN A 39 -10.208 -9.212 1.391 1.00 0.00 C ATOM 539 CD GLN A 39 -10.046 -10.709 1.111 1.00 0.00 C ATOM 540 OE1 GLN A 39 -10.744 -11.313 0.327 1.00 0.00 O ATOM 541 NE2 GLN A 39 -9.131 -11.372 1.732 1.00 0.00 N ATOM 0 H GLN A 39 -8.806 -7.206 1.926 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.062 -6.299 -0.609 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.710 -8.707 -0.678 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.002 -8.563 -0.315 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.487 -8.898 2.146 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.201 -9.019 1.798 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.523 -10.899 2.400 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.015 -12.370 1.555 1.00 0.00 H new ATOM 550 N SER A 40 -11.722 -5.235 1.276 1.00 0.00 N ATOM 551 CA SER A 40 -12.998 -4.644 1.819 1.00 0.00 C ATOM 552 C SER A 40 -13.480 -3.313 1.154 1.00 0.00 C ATOM 553 O SER A 40 -12.822 -2.707 0.333 1.00 0.00 O ATOM 554 CB SER A 40 -12.780 -4.462 3.340 1.00 0.00 C ATOM 555 OG SER A 40 -13.768 -3.530 3.771 1.00 0.00 O ATOM 0 H SER A 40 -10.942 -4.578 1.272 1.00 0.00 H new ATOM 0 HA SER A 40 -13.809 -5.333 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.884 -5.411 3.865 1.00 0.00 H new ATOM 0 HB3 SER A 40 -11.777 -4.091 3.548 1.00 0.00 H new ATOM 0 HG SER A 40 -13.418 -2.619 3.684 1.00 0.00 H new ATOM 561 N SER A 41 -14.654 -2.923 1.571 1.00 0.00 N ATOM 562 CA SER A 41 -15.398 -1.687 1.119 1.00 0.00 C ATOM 563 C SER A 41 -14.628 -0.537 0.415 1.00 0.00 C ATOM 564 O SER A 41 -14.749 -0.319 -0.778 1.00 0.00 O ATOM 565 CB SER A 41 -16.129 -1.148 2.373 1.00 0.00 C ATOM 566 OG SER A 41 -16.939 -0.088 1.872 1.00 0.00 O ATOM 0 H SER A 41 -15.177 -3.454 2.267 1.00 0.00 H new ATOM 0 HA SER A 41 -16.039 -2.024 0.304 1.00 0.00 H new ATOM 0 HB2 SER A 41 -16.733 -1.922 2.846 1.00 0.00 H new ATOM 0 HB3 SER A 41 -15.424 -0.791 3.123 1.00 0.00 H new ATOM 0 HG SER A 41 -17.445 0.314 2.609 1.00 0.00 H new ATOM 572 N GLY A 42 -13.840 0.179 1.175 1.00 0.00 N ATOM 573 CA GLY A 42 -13.037 1.339 0.614 1.00 0.00 C ATOM 574 C GLY A 42 -11.540 1.077 0.614 1.00 0.00 C ATOM 575 O GLY A 42 -10.796 1.596 -0.190 1.00 0.00 O ATOM 0 H GLY A 42 -13.709 0.017 2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.365 1.542 -0.405 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.244 2.235 1.200 1.00 0.00 H new ATOM 579 N ASP A 43 -11.188 0.251 1.544 1.00 0.00 N ATOM 580 CA ASP A 43 -9.814 -0.226 1.837 1.00 0.00 C ATOM 581 C ASP A 43 -8.699 -0.026 0.804 1.00 0.00 C ATOM 582 O ASP A 43 -7.792 0.745 1.042 1.00 0.00 O ATOM 583 CB ASP A 43 -9.991 -1.702 2.184 1.00 0.00 C ATOM 584 CG ASP A 43 -10.815 -1.880 3.447 1.00 0.00 C ATOM 585 OD1 ASP A 43 -11.974 -1.490 3.438 1.00 0.00 O ATOM 586 OD2 ASP A 43 -10.221 -2.416 4.360 1.00 0.00 O ATOM 0 H ASP A 43 -11.875 -0.154 2.180 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.425 0.410 2.632 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.477 -2.216 1.355 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.014 -2.166 2.317 1.00 0.00 H new ATOM 591 N ARG A 44 -8.738 -0.649 -0.346 1.00 0.00 N ATOM 592 CA ARG A 44 -7.608 -0.417 -1.279 1.00 0.00 C ATOM 593 C ARG A 44 -7.812 1.062 -1.724 1.00 0.00 C ATOM 594 O ARG A 44 -6.937 1.891 -1.609 1.00 0.00 O ATOM 595 CB ARG A 44 -7.675 -1.252 -2.549 1.00 0.00 C ATOM 596 CG ARG A 44 -8.929 -2.051 -2.873 1.00 0.00 C ATOM 597 CD ARG A 44 -9.503 -2.945 -1.780 1.00 0.00 C ATOM 598 NE ARG A 44 -10.949 -2.554 -1.517 1.00 0.00 N ATOM 599 CZ ARG A 44 -11.666 -1.780 -2.250 1.00 0.00 C ATOM 600 NH1 ARG A 44 -11.700 -1.961 -3.500 1.00 0.00 N ATOM 601 NH2 ARG A 44 -12.332 -0.855 -1.720 1.00 0.00 N ATOM 0 H ARG A 44 -9.472 -1.281 -0.666 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.668 -0.662 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.494 -0.580 -3.388 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.843 -1.955 -2.518 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -9.706 -1.348 -3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.713 -2.677 -3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -9.447 -3.991 -2.083 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.916 -2.845 -0.867 1.00 0.00 H new ATOM 0 HE ARG A 44 -11.390 -2.942 -0.683 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -11.160 -2.718 -3.921 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.267 -1.351 -4.088 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.303 -0.720 -0.709 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.902 -0.240 -2.301 1.00 0.00 H new ATOM 615 N GLN A 45 -8.985 1.357 -2.235 1.00 0.00 N ATOM 616 CA GLN A 45 -9.306 2.744 -2.689 1.00 0.00 C ATOM 617 C GLN A 45 -9.042 3.750 -1.505 1.00 0.00 C ATOM 618 O GLN A 45 -8.925 4.942 -1.681 1.00 0.00 O ATOM 619 CB GLN A 45 -10.780 2.616 -3.214 1.00 0.00 C ATOM 620 CG GLN A 45 -10.721 1.556 -4.420 1.00 0.00 C ATOM 621 CD GLN A 45 -12.083 1.032 -4.854 1.00 0.00 C ATOM 622 OE1 GLN A 45 -12.791 0.376 -4.121 1.00 0.00 O ATOM 623 NE2 GLN A 45 -12.485 1.296 -6.040 1.00 0.00 N ATOM 0 H GLN A 45 -9.742 0.684 -2.357 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.689 3.156 -3.488 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.449 2.274 -2.424 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.159 3.579 -3.557 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.233 2.023 -5.276 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.099 0.713 -4.119 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.898 1.847 -6.666 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.392 0.955 -6.359 1.00 0.00 H new ATOM 632 N THR A 46 -8.937 3.239 -0.302 1.00 0.00 N ATOM 633 CA THR A 46 -8.667 4.096 0.914 1.00 0.00 C ATOM 634 C THR A 46 -7.159 4.326 0.828 1.00 0.00 C ATOM 635 O THR A 46 -6.690 5.450 0.859 1.00 0.00 O ATOM 636 CB THR A 46 -8.982 3.353 2.231 1.00 0.00 C ATOM 637 OG1 THR A 46 -10.392 3.166 2.246 1.00 0.00 O ATOM 638 CG2 THR A 46 -8.673 4.282 3.387 1.00 0.00 C ATOM 0 H THR A 46 -9.028 2.243 -0.100 1.00 0.00 H new ATOM 0 HA THR A 46 -9.276 5.000 0.922 1.00 0.00 H new ATOM 0 HB THR A 46 -8.419 2.423 2.307 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.651 2.694 3.065 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.889 3.776 4.328 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.620 4.561 3.358 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.288 5.179 3.308 1.00 0.00 H new ATOM 646 N VAL A 47 -6.446 3.228 0.745 1.00 0.00 N ATOM 647 CA VAL A 47 -4.945 3.275 0.625 1.00 0.00 C ATOM 648 C VAL A 47 -4.632 4.318 -0.456 1.00 0.00 C ATOM 649 O VAL A 47 -3.787 5.166 -0.292 1.00 0.00 O ATOM 650 CB VAL A 47 -4.382 1.903 0.168 1.00 0.00 C ATOM 651 CG1 VAL A 47 -3.521 1.996 -1.094 1.00 0.00 C ATOM 652 CG2 VAL A 47 -3.609 1.286 1.258 1.00 0.00 C ATOM 0 H VAL A 47 -6.841 2.288 0.755 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.496 3.521 1.587 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.241 1.280 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.158 1.003 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.118 2.396 -1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.673 2.655 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.218 0.324 0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.781 1.939 1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.255 1.137 2.123 1.00 0.00 H new ATOM 662 N CYS A 48 -5.346 4.149 -1.540 1.00 0.00 N ATOM 663 CA CYS A 48 -5.255 5.025 -2.743 1.00 0.00 C ATOM 664 C CYS A 48 -5.315 6.451 -2.239 1.00 0.00 C ATOM 665 O CYS A 48 -4.384 7.208 -2.440 1.00 0.00 O ATOM 666 CB CYS A 48 -6.429 4.691 -3.635 1.00 0.00 C ATOM 667 SG CYS A 48 -7.601 6.037 -3.919 1.00 0.00 S ATOM 0 H CYS A 48 -6.026 3.395 -1.641 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.339 4.885 -3.317 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.046 4.357 -4.599 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.968 3.850 -3.197 1.00 0.00 H new ATOM 672 N ASN A 49 -6.423 6.763 -1.611 1.00 0.00 N ATOM 673 CA ASN A 49 -6.587 8.123 -1.056 1.00 0.00 C ATOM 674 C ASN A 49 -5.323 8.469 -0.253 1.00 0.00 C ATOM 675 O ASN A 49 -4.968 9.631 -0.242 1.00 0.00 O ATOM 676 CB ASN A 49 -7.891 8.115 -0.221 1.00 0.00 C ATOM 677 CG ASN A 49 -9.036 8.300 -1.212 1.00 0.00 C ATOM 678 OD1 ASN A 49 -9.207 9.357 -1.768 1.00 0.00 O ATOM 679 ND2 ASN A 49 -9.865 7.363 -1.515 1.00 0.00 N ATOM 0 H ASN A 49 -7.211 6.132 -1.464 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.688 8.898 -1.816 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.997 7.178 0.325 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.884 8.916 0.519 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.610 7.539 -2.189 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.777 6.444 -1.081 1.00 0.00 H new ATOM 686 N CYS A 50 -4.640 7.535 0.395 1.00 0.00 N ATOM 687 CA CYS A 50 -3.409 7.988 1.134 1.00 0.00 C ATOM 688 C CYS A 50 -2.314 8.189 0.055 1.00 0.00 C ATOM 689 O CYS A 50 -1.745 9.269 0.003 1.00 0.00 O ATOM 690 CB CYS A 50 -3.120 6.900 2.169 1.00 0.00 C ATOM 691 SG CYS A 50 -4.475 6.793 3.358 1.00 0.00 S ATOM 0 H CYS A 50 -4.865 6.541 0.443 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.492 8.929 1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.988 5.940 1.670 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.187 7.121 2.688 1.00 0.00 H new ATOM 696 N LEU A 51 -2.032 7.187 -0.764 1.00 0.00 N ATOM 697 CA LEU A 51 -1.003 7.313 -1.861 1.00 0.00 C ATOM 698 C LEU A 51 -1.052 8.722 -2.428 1.00 0.00 C ATOM 699 O LEU A 51 -0.048 9.377 -2.587 1.00 0.00 O ATOM 700 CB LEU A 51 -1.277 6.314 -3.041 1.00 0.00 C ATOM 701 CG LEU A 51 -1.000 4.843 -2.676 1.00 0.00 C ATOM 702 CD1 LEU A 51 -0.647 3.985 -3.888 1.00 0.00 C ATOM 703 CD2 LEU A 51 0.111 4.802 -1.707 1.00 0.00 C ATOM 0 H LEU A 51 -2.481 6.272 -0.715 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.030 7.086 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.316 6.413 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.657 6.592 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.914 4.429 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.463 2.960 -3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.474 4.000 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.249 4.382 -4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.321 3.767 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.000 5.248 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.165 5.361 -0.813 1.00 0.00 H new ATOM 715 N LYS A 52 -2.246 9.122 -2.733 1.00 0.00 N ATOM 716 CA LYS A 52 -2.498 10.480 -3.292 1.00 0.00 C ATOM 717 C LYS A 52 -1.780 11.662 -2.532 1.00 0.00 C ATOM 718 O LYS A 52 -1.265 12.554 -3.180 1.00 0.00 O ATOM 719 CB LYS A 52 -4.042 10.602 -3.303 1.00 0.00 C ATOM 720 CG LYS A 52 -4.655 9.622 -4.366 1.00 0.00 C ATOM 721 CD LYS A 52 -4.530 10.105 -5.865 1.00 0.00 C ATOM 722 CE LYS A 52 -4.539 8.851 -6.774 1.00 0.00 C ATOM 723 NZ LYS A 52 -4.721 9.173 -8.239 1.00 0.00 N ATOM 0 H LYS A 52 -3.084 8.552 -2.617 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.062 10.578 -4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.439 10.373 -2.314 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.332 11.627 -3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.166 8.653 -4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.709 9.471 -4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.356 10.768 -6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.610 10.672 -6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.602 8.309 -6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.340 8.185 -6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.238 8.454 -8.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.735 9.178 -8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.316 10.109 -8.442 1.00 0.00 H new ATOM 737 N GLY A 53 -1.711 11.668 -1.218 1.00 0.00 N ATOM 738 CA GLY A 53 -1.039 12.806 -0.485 1.00 0.00 C ATOM 739 C GLY A 53 0.424 12.483 -0.303 1.00 0.00 C ATOM 740 O GLY A 53 1.273 13.336 -0.462 1.00 0.00 O ATOM 0 H GLY A 53 -2.090 10.936 -0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.152 13.733 -1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.513 12.961 0.484 1.00 0.00 H new ATOM 744 N ILE A 54 0.694 11.251 0.032 1.00 0.00 N ATOM 745 CA ILE A 54 2.138 10.855 0.215 1.00 0.00 C ATOM 746 C ILE A 54 2.806 11.247 -1.087 1.00 0.00 C ATOM 747 O ILE A 54 3.743 12.017 -1.154 1.00 0.00 O ATOM 748 CB ILE A 54 2.180 9.333 0.492 1.00 0.00 C ATOM 749 CG1 ILE A 54 3.409 8.532 0.053 1.00 0.00 C ATOM 750 CG2 ILE A 54 0.883 8.576 0.416 1.00 0.00 C ATOM 751 CD1 ILE A 54 3.157 7.903 -1.338 1.00 0.00 C ATOM 0 H ILE A 54 0.006 10.513 0.185 1.00 0.00 H new ATOM 0 HA ILE A 54 2.647 11.336 1.050 1.00 0.00 H new ATOM 0 HB ILE A 54 2.361 9.422 1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.283 9.182 0.015 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.624 7.751 0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.063 7.523 0.632 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.182 8.981 1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.463 8.674 -0.585 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.035 7.335 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.294 7.239 -1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.964 8.692 -2.065 1.00 0.00 H new ATOM 763 N ALA A 55 2.241 10.661 -2.095 1.00 0.00 N ATOM 764 CA ALA A 55 2.715 10.905 -3.502 1.00 0.00 C ATOM 765 C ALA A 55 2.796 12.428 -3.676 1.00 0.00 C ATOM 766 O ALA A 55 3.858 12.904 -4.027 1.00 0.00 O ATOM 767 CB ALA A 55 1.722 10.256 -4.472 1.00 0.00 C ATOM 0 H ALA A 55 1.458 10.012 -2.016 1.00 0.00 H new ATOM 0 HA ALA A 55 3.693 10.468 -3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.052 10.424 -5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.672 9.185 -4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.735 10.697 -4.332 1.00 0.00 H new ATOM 773 N ARG A 56 1.701 13.116 -3.420 1.00 0.00 N ATOM 774 CA ARG A 56 1.694 14.619 -3.553 1.00 0.00 C ATOM 775 C ARG A 56 3.019 15.239 -3.026 1.00 0.00 C ATOM 776 O ARG A 56 3.518 16.202 -3.577 1.00 0.00 O ATOM 777 CB ARG A 56 0.451 15.152 -2.775 1.00 0.00 C ATOM 778 CG ARG A 56 0.300 16.691 -2.808 1.00 0.00 C ATOM 779 CD ARG A 56 0.259 17.212 -4.238 1.00 0.00 C ATOM 780 NE ARG A 56 -0.291 18.608 -4.138 1.00 0.00 N ATOM 781 CZ ARG A 56 0.437 19.635 -4.354 1.00 0.00 C ATOM 782 NH1 ARG A 56 0.532 20.077 -5.541 1.00 0.00 N ATOM 783 NH2 ARG A 56 1.013 20.143 -3.346 1.00 0.00 N ATOM 0 H ARG A 56 0.815 12.705 -3.126 1.00 0.00 H new ATOM 0 HA ARG A 56 1.626 14.909 -4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.448 14.700 -3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.518 14.826 -1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.613 16.980 -2.287 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.131 17.152 -2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.253 17.212 -4.685 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.373 16.585 -4.867 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.272 18.738 -3.891 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.032 19.613 -6.300 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.108 20.896 -5.736 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.883 19.730 -2.422 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.607 20.965 -3.458 1.00 0.00 H new ATOM 797 N GLY A 57 3.522 14.655 -1.964 1.00 0.00 N ATOM 798 CA GLY A 57 4.809 15.106 -1.309 1.00 0.00 C ATOM 799 C GLY A 57 5.954 14.060 -1.285 1.00 0.00 C ATOM 800 O GLY A 57 6.783 14.059 -0.396 1.00 0.00 O ATOM 0 H GLY A 57 3.084 13.857 -1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.166 15.996 -1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.589 15.400 -0.283 1.00 0.00 H new ATOM 804 N ILE A 58 6.000 13.179 -2.250 1.00 0.00 N ATOM 805 CA ILE A 58 7.094 12.137 -2.292 1.00 0.00 C ATOM 806 C ILE A 58 8.445 12.627 -2.836 1.00 0.00 C ATOM 807 O ILE A 58 8.622 13.774 -3.187 1.00 0.00 O ATOM 808 CB ILE A 58 6.489 10.925 -3.105 1.00 0.00 C ATOM 809 CG1 ILE A 58 5.749 10.081 -2.014 1.00 0.00 C ATOM 810 CG2 ILE A 58 7.522 10.057 -3.947 1.00 0.00 C ATOM 811 CD1 ILE A 58 6.262 8.675 -1.987 1.00 0.00 C ATOM 0 H ILE A 58 5.330 13.128 -3.017 1.00 0.00 H new ATOM 0 HA ILE A 58 7.368 11.846 -1.278 1.00 0.00 H new ATOM 0 HB ILE A 58 5.839 11.294 -3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.888 10.542 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.678 10.078 -2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.990 9.256 -4.461 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.018 10.692 -4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.267 9.627 -3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.732 8.109 -1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.100 8.210 -2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.328 8.681 -1.761 1.00 0.00 H new ATOM 823 N HIS A 59 9.397 11.738 -2.878 1.00 0.00 N ATOM 824 CA HIS A 59 10.793 12.065 -3.369 1.00 0.00 C ATOM 825 C HIS A 59 11.483 11.316 -4.557 1.00 0.00 C ATOM 826 O HIS A 59 11.650 11.885 -5.618 1.00 0.00 O ATOM 827 CB HIS A 59 11.594 11.980 -2.062 1.00 0.00 C ATOM 828 CG HIS A 59 11.619 13.350 -1.359 1.00 0.00 C ATOM 829 ND1 HIS A 59 10.738 14.284 -1.492 1.00 0.00 N ATOM 830 CD2 HIS A 59 12.528 13.883 -0.463 1.00 0.00 C ATOM 831 CE1 HIS A 59 11.055 15.303 -0.759 1.00 0.00 C ATOM 832 NE2 HIS A 59 12.165 15.096 -0.099 1.00 0.00 N ATOM 0 H HIS A 59 9.275 10.768 -2.587 1.00 0.00 H new ATOM 0 HA HIS A 59 10.740 13.017 -3.897 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.150 11.234 -1.403 1.00 0.00 H new ATOM 0 HB3 HIS A 59 12.612 11.653 -2.272 1.00 0.00 H new ATOM 0 HD1 HIS A 59 9.912 14.227 -2.088 1.00 0.00 H new ATOM 0 HD2 HIS A 59 13.413 13.375 -0.110 1.00 0.00 H new ATOM 0 HE1 HIS A 59 10.474 16.212 -0.700 1.00 0.00 H new ATOM 840 N ASN A 60 11.882 10.082 -4.380 1.00 0.00 N ATOM 841 CA ASN A 60 12.550 9.336 -5.508 1.00 0.00 C ATOM 842 C ASN A 60 11.778 8.079 -5.885 1.00 0.00 C ATOM 843 O ASN A 60 12.236 6.965 -5.754 1.00 0.00 O ATOM 844 CB ASN A 60 14.004 8.988 -5.076 1.00 0.00 C ATOM 845 CG ASN A 60 14.945 10.155 -5.348 1.00 0.00 C ATOM 846 OD1 ASN A 60 16.143 10.054 -5.223 1.00 0.00 O ATOM 847 ND2 ASN A 60 14.505 11.310 -5.728 1.00 0.00 N ATOM 0 H ASN A 60 11.779 9.556 -3.513 1.00 0.00 H new ATOM 0 HA ASN A 60 12.568 9.969 -6.395 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.023 8.740 -4.015 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.347 8.105 -5.616 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.159 12.072 -5.904 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.504 11.459 -5.852 1.00 0.00 H new ATOM 854 N LEU A 61 10.592 8.324 -6.361 1.00 0.00 N ATOM 855 CA LEU A 61 9.714 7.190 -6.774 1.00 0.00 C ATOM 856 C LEU A 61 10.400 6.281 -7.835 1.00 0.00 C ATOM 857 O LEU A 61 10.374 6.537 -9.022 1.00 0.00 O ATOM 858 CB LEU A 61 8.403 7.846 -7.276 1.00 0.00 C ATOM 859 CG LEU A 61 7.263 6.823 -7.528 1.00 0.00 C ATOM 860 CD1 LEU A 61 7.468 5.530 -6.721 1.00 0.00 C ATOM 861 CD2 LEU A 61 5.959 7.486 -7.012 1.00 0.00 C ATOM 0 H LEU A 61 10.191 9.254 -6.483 1.00 0.00 H new ATOM 0 HA LEU A 61 9.506 6.511 -5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.068 8.580 -6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.606 8.388 -8.200 1.00 0.00 H new ATOM 0 HG LEU A 61 7.235 6.568 -8.587 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.649 4.840 -6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.412 5.068 -7.008 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.488 5.765 -5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.120 6.807 -7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.059 7.706 -5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.781 8.412 -7.559 1.00 0.00 H new ATOM 873 N ASN A 62 10.997 5.220 -7.386 1.00 0.00 N ATOM 874 CA ASN A 62 11.696 4.285 -8.304 1.00 0.00 C ATOM 875 C ASN A 62 10.740 3.194 -8.780 1.00 0.00 C ATOM 876 O ASN A 62 10.938 2.032 -8.489 1.00 0.00 O ATOM 877 CB ASN A 62 12.856 3.784 -7.473 1.00 0.00 C ATOM 878 CG ASN A 62 13.892 3.001 -8.264 1.00 0.00 C ATOM 879 OD1 ASN A 62 14.969 2.743 -7.780 1.00 0.00 O ATOM 880 ND2 ASN A 62 13.693 2.574 -9.468 1.00 0.00 N ATOM 0 H ASN A 62 11.031 4.955 -6.402 1.00 0.00 H new ATOM 0 HA ASN A 62 12.053 4.736 -9.230 1.00 0.00 H new ATOM 0 HB2 ASN A 62 13.344 4.635 -6.998 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.470 3.151 -6.674 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.424 2.053 -9.952 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.805 2.758 -9.934 1.00 0.00 H new ATOM 887 N LEU A 63 9.728 3.622 -9.486 1.00 0.00 N ATOM 888 CA LEU A 63 8.674 2.699 -10.046 1.00 0.00 C ATOM 889 C LEU A 63 9.125 1.223 -10.261 1.00 0.00 C ATOM 890 O LEU A 63 8.460 0.294 -9.847 1.00 0.00 O ATOM 891 CB LEU A 63 8.153 3.266 -11.430 1.00 0.00 C ATOM 892 CG LEU A 63 7.237 4.529 -11.385 1.00 0.00 C ATOM 893 CD1 LEU A 63 6.063 4.293 -10.431 1.00 0.00 C ATOM 894 CD2 LEU A 63 7.988 5.798 -10.978 1.00 0.00 C ATOM 0 H LEU A 63 9.576 4.606 -9.710 1.00 0.00 H new ATOM 0 HA LEU A 63 7.893 2.672 -9.286 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.021 3.500 -12.047 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.607 2.470 -11.937 1.00 0.00 H new ATOM 0 HG LEU A 63 6.870 4.687 -12.399 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.430 5.180 -10.407 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.479 3.440 -10.777 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.443 4.091 -9.430 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.297 6.641 -10.965 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.416 5.665 -9.985 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.786 5.994 -11.694 1.00 0.00 H new ATOM 906 N ASN A 64 10.247 1.048 -10.906 1.00 0.00 N ATOM 907 CA ASN A 64 10.810 -0.325 -11.190 1.00 0.00 C ATOM 908 C ASN A 64 10.819 -1.213 -9.918 1.00 0.00 C ATOM 909 O ASN A 64 10.404 -2.356 -9.907 1.00 0.00 O ATOM 910 CB ASN A 64 12.272 -0.187 -11.726 1.00 0.00 C ATOM 911 CG ASN A 64 12.455 1.133 -12.463 1.00 0.00 C ATOM 912 OD1 ASN A 64 12.405 2.186 -11.864 1.00 0.00 O ATOM 913 ND2 ASN A 64 12.667 1.168 -13.733 1.00 0.00 N ATOM 0 H ASN A 64 10.819 1.814 -11.261 1.00 0.00 H new ATOM 0 HA ASN A 64 10.173 -0.801 -11.935 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.976 -0.246 -10.896 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.499 -1.017 -12.395 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.787 2.064 -14.205 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.715 0.300 -14.266 1.00 0.00 H new ATOM 920 N ASN A 65 11.295 -0.617 -8.860 1.00 0.00 N ATOM 921 CA ASN A 65 11.387 -1.323 -7.554 1.00 0.00 C ATOM 922 C ASN A 65 9.982 -1.627 -7.033 1.00 0.00 C ATOM 923 O ASN A 65 9.760 -2.692 -6.484 1.00 0.00 O ATOM 924 CB ASN A 65 12.245 -0.379 -6.631 1.00 0.00 C ATOM 925 CG ASN A 65 11.533 0.142 -5.395 1.00 0.00 C ATOM 926 OD1 ASN A 65 10.339 0.149 -5.235 1.00 0.00 O ATOM 927 ND2 ASN A 65 12.162 0.637 -4.399 1.00 0.00 N ATOM 0 H ASN A 65 11.630 0.346 -8.847 1.00 0.00 H new ATOM 0 HA ASN A 65 11.872 -2.298 -7.608 1.00 0.00 H new ATOM 0 HB2 ASN A 65 13.137 -0.920 -6.315 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.581 0.473 -7.223 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.645 0.982 -3.590 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.181 0.687 -4.413 1.00 0.00 H new ATOM 934 N ALA A 66 9.084 -0.695 -7.224 1.00 0.00 N ATOM 935 CA ALA A 66 7.694 -0.923 -6.738 1.00 0.00 C ATOM 936 C ALA A 66 7.102 -2.091 -7.552 1.00 0.00 C ATOM 937 O ALA A 66 6.523 -3.019 -7.012 1.00 0.00 O ATOM 938 CB ALA A 66 6.893 0.358 -6.952 1.00 0.00 C ATOM 0 H ALA A 66 9.250 0.198 -7.687 1.00 0.00 H new ATOM 0 HA ALA A 66 7.668 -1.174 -5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.871 0.211 -6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.354 1.173 -6.394 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.881 0.606 -8.013 1.00 0.00 H new ATOM 944 N ALA A 67 7.277 -2.029 -8.851 1.00 0.00 N ATOM 945 CA ALA A 67 6.757 -3.109 -9.754 1.00 0.00 C ATOM 946 C ALA A 67 7.540 -4.426 -9.536 1.00 0.00 C ATOM 947 O ALA A 67 7.313 -5.423 -10.192 1.00 0.00 O ATOM 948 CB ALA A 67 6.895 -2.630 -11.213 1.00 0.00 C ATOM 0 H ALA A 67 7.762 -1.270 -9.330 1.00 0.00 H new ATOM 0 HA ALA A 67 5.710 -3.308 -9.527 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.522 -3.402 -11.886 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.317 -1.717 -11.352 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.944 -2.432 -11.433 1.00 0.00 H new ATOM 954 N SER A 68 8.447 -4.389 -8.603 1.00 0.00 N ATOM 955 CA SER A 68 9.279 -5.573 -8.264 1.00 0.00 C ATOM 956 C SER A 68 8.733 -6.145 -6.965 1.00 0.00 C ATOM 957 O SER A 68 9.100 -7.253 -6.618 1.00 0.00 O ATOM 958 CB SER A 68 10.748 -5.139 -8.087 1.00 0.00 C ATOM 959 OG SER A 68 11.450 -6.298 -7.642 1.00 0.00 O ATOM 0 H SER A 68 8.652 -3.560 -8.045 1.00 0.00 H new ATOM 0 HA SER A 68 9.243 -6.322 -9.055 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.161 -4.769 -9.025 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.831 -4.330 -7.361 1.00 0.00 H new ATOM 0 HG SER A 68 10.811 -6.951 -7.287 1.00 0.00 H new ATOM 965 N ILE A 69 7.871 -5.415 -6.287 1.00 0.00 N ATOM 966 CA ILE A 69 7.340 -5.975 -5.012 1.00 0.00 C ATOM 967 C ILE A 69 6.353 -7.097 -5.315 1.00 0.00 C ATOM 968 O ILE A 69 6.586 -8.180 -4.824 1.00 0.00 O ATOM 969 CB ILE A 69 6.642 -4.840 -4.158 1.00 0.00 C ATOM 970 CG1 ILE A 69 7.613 -4.060 -3.253 1.00 0.00 C ATOM 971 CG2 ILE A 69 5.513 -5.384 -3.265 1.00 0.00 C ATOM 972 CD1 ILE A 69 8.578 -4.986 -2.457 1.00 0.00 C ATOM 0 H ILE A 69 7.527 -4.492 -6.553 1.00 0.00 H new ATOM 0 HA ILE A 69 8.168 -6.379 -4.430 1.00 0.00 H new ATOM 0 HB ILE A 69 6.237 -4.164 -4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.199 -3.373 -3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.040 -3.453 -2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.068 -4.564 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.750 -5.852 -3.887 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.920 -6.122 -2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 69 9.237 -4.378 -1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.998 -5.655 -1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.175 -5.574 -3.154 1.00 0.00 H new ATOM 984 N PRO A 70 5.301 -6.901 -6.083 1.00 0.00 N ATOM 985 CA PRO A 70 4.229 -7.941 -6.175 1.00 0.00 C ATOM 986 C PRO A 70 4.782 -9.355 -6.353 1.00 0.00 C ATOM 987 O PRO A 70 4.255 -10.301 -5.786 1.00 0.00 O ATOM 988 CB PRO A 70 3.354 -7.431 -7.332 1.00 0.00 C ATOM 989 CG PRO A 70 3.497 -5.887 -7.204 1.00 0.00 C ATOM 990 CD PRO A 70 5.006 -5.713 -6.942 1.00 0.00 C ATOM 0 HA PRO A 70 3.651 -8.056 -5.258 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.706 -7.793 -8.298 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.318 -7.753 -7.230 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.181 -5.373 -8.112 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.895 -5.490 -6.387 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.586 -5.721 -7.865 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.228 -4.775 -6.434 1.00 0.00 H new ATOM 998 N SER A 71 5.831 -9.408 -7.136 1.00 0.00 N ATOM 999 CA SER A 71 6.518 -10.689 -7.429 1.00 0.00 C ATOM 1000 C SER A 71 7.440 -10.957 -6.235 1.00 0.00 C ATOM 1001 O SER A 71 7.219 -11.933 -5.553 1.00 0.00 O ATOM 1002 CB SER A 71 7.287 -10.494 -8.714 1.00 0.00 C ATOM 1003 OG SER A 71 8.185 -9.431 -8.416 1.00 0.00 O ATOM 0 H SER A 71 6.244 -8.594 -7.591 1.00 0.00 H new ATOM 0 HA SER A 71 5.846 -11.537 -7.560 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.821 -11.400 -9.002 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.625 -10.238 -9.541 1.00 0.00 H new ATOM 0 HG SER A 71 8.733 -9.235 -9.204 1.00 0.00 H new ATOM 1009 N LYS A 72 8.425 -10.120 -5.996 1.00 0.00 N ATOM 1010 CA LYS A 72 9.370 -10.304 -4.837 1.00 0.00 C ATOM 1011 C LYS A 72 8.702 -10.865 -3.580 1.00 0.00 C ATOM 1012 O LYS A 72 9.232 -11.735 -2.918 1.00 0.00 O ATOM 1013 CB LYS A 72 10.001 -8.932 -4.539 1.00 0.00 C ATOM 1014 CG LYS A 72 10.686 -8.842 -3.135 1.00 0.00 C ATOM 1015 CD LYS A 72 11.533 -7.531 -3.114 1.00 0.00 C ATOM 1016 CE LYS A 72 12.835 -7.789 -3.840 1.00 0.00 C ATOM 1017 NZ LYS A 72 13.643 -8.678 -2.940 1.00 0.00 N ATOM 0 H LYS A 72 8.620 -9.298 -6.567 1.00 0.00 H new ATOM 0 HA LYS A 72 10.119 -11.045 -5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.740 -8.708 -5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.229 -8.165 -4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.938 -8.829 -2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.320 -9.712 -2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.986 -6.719 -3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.727 -7.222 -2.087 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.656 -8.268 -4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.361 -6.856 -4.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.654 -8.459 -3.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.362 -8.519 -1.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.474 -9.673 -3.192 1.00 0.00 H new ATOM 1031 N CYS A 73 7.549 -10.305 -3.337 1.00 0.00 N ATOM 1032 CA CYS A 73 6.689 -10.648 -2.173 1.00 0.00 C ATOM 1033 C CYS A 73 5.598 -11.723 -2.327 1.00 0.00 C ATOM 1034 O CYS A 73 4.787 -11.877 -1.434 1.00 0.00 O ATOM 1035 CB CYS A 73 6.118 -9.300 -1.756 1.00 0.00 C ATOM 1036 SG CYS A 73 7.392 -8.099 -1.294 1.00 0.00 S ATOM 0 H CYS A 73 7.149 -9.582 -3.936 1.00 0.00 H new ATOM 0 HA CYS A 73 7.305 -11.157 -1.432 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.525 -8.894 -2.576 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.441 -9.444 -0.914 1.00 0.00 H new ATOM 1041 N ASN A 74 5.574 -12.441 -3.412 1.00 0.00 N ATOM 1042 CA ASN A 74 4.548 -13.521 -3.645 1.00 0.00 C ATOM 1043 C ASN A 74 3.145 -13.098 -3.141 1.00 0.00 C ATOM 1044 O ASN A 74 2.485 -13.777 -2.379 1.00 0.00 O ATOM 1045 CB ASN A 74 5.085 -14.806 -2.917 1.00 0.00 C ATOM 1046 CG ASN A 74 4.214 -16.026 -3.217 1.00 0.00 C ATOM 1047 OD1 ASN A 74 3.860 -16.304 -4.341 1.00 0.00 O ATOM 1048 ND2 ASN A 74 3.842 -16.804 -2.254 1.00 0.00 N ATOM 0 H ASN A 74 6.239 -12.328 -4.177 1.00 0.00 H new ATOM 0 HA ASN A 74 4.416 -13.715 -4.710 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.110 -15.003 -3.233 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.111 -14.632 -1.841 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.268 -17.623 -2.453 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.123 -16.599 -1.295 1.00 0.00 H new ATOM 1055 N VAL A 75 2.777 -11.936 -3.613 1.00 0.00 N ATOM 1056 CA VAL A 75 1.446 -11.274 -3.295 1.00 0.00 C ATOM 1057 C VAL A 75 0.669 -11.085 -4.608 1.00 0.00 C ATOM 1058 O VAL A 75 -0.542 -11.033 -4.576 1.00 0.00 O ATOM 1059 CB VAL A 75 1.653 -9.853 -2.623 1.00 0.00 C ATOM 1060 CG1 VAL A 75 2.632 -9.124 -3.505 1.00 0.00 C ATOM 1061 CG2 VAL A 75 0.387 -8.980 -2.546 1.00 0.00 C ATOM 0 H VAL A 75 3.364 -11.383 -4.237 1.00 0.00 H new ATOM 0 HA VAL A 75 0.900 -11.910 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 75 1.977 -10.019 -1.596 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.820 -8.131 -3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.568 -9.682 -3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.218 -9.031 -4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.629 -8.029 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.009 -8.798 -3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.375 -9.494 -1.960 1.00 0.00 H new ATOM 1071 N ASN A 76 1.428 -10.973 -5.677 1.00 0.00 N ATOM 1072 CA ASN A 76 0.929 -10.784 -7.073 1.00 0.00 C ATOM 1073 C ASN A 76 -0.472 -10.184 -7.296 1.00 0.00 C ATOM 1074 O ASN A 76 -1.475 -10.864 -7.403 1.00 0.00 O ATOM 1075 CB ASN A 76 1.040 -12.158 -7.757 1.00 0.00 C ATOM 1076 CG ASN A 76 0.615 -13.237 -6.788 1.00 0.00 C ATOM 1077 OD1 ASN A 76 1.429 -13.784 -6.081 1.00 0.00 O ATOM 1078 ND2 ASN A 76 -0.622 -13.582 -6.692 1.00 0.00 N ATOM 0 H ASN A 76 2.446 -11.009 -5.625 1.00 0.00 H new ATOM 0 HA ASN A 76 1.555 -10.001 -7.502 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.412 -12.185 -8.647 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.065 -12.332 -8.085 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.900 -14.305 -6.028 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.324 -13.132 -7.280 1.00 0.00 H new ATOM 1085 N VAL A 77 -0.449 -8.881 -7.361 1.00 0.00 N ATOM 1086 CA VAL A 77 -1.690 -8.072 -7.580 1.00 0.00 C ATOM 1087 C VAL A 77 -1.758 -7.577 -9.049 1.00 0.00 C ATOM 1088 O VAL A 77 -0.737 -7.383 -9.677 1.00 0.00 O ATOM 1089 CB VAL A 77 -1.695 -6.818 -6.681 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -1.938 -7.127 -5.219 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -0.324 -6.084 -6.760 1.00 0.00 C ATOM 0 H VAL A 77 0.401 -8.325 -7.269 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.538 -8.714 -7.344 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.512 -6.202 -7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.929 -6.201 -4.645 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.907 -7.614 -5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.154 -7.789 -4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.346 -5.202 -6.120 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.468 -6.755 -6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.133 -5.780 -7.789 1.00 0.00 H new ATOM 1101 N PRO A 78 -2.934 -7.365 -9.591 1.00 0.00 N ATOM 1102 CA PRO A 78 -3.104 -6.325 -10.651 1.00 0.00 C ATOM 1103 C PRO A 78 -2.826 -4.917 -10.078 1.00 0.00 C ATOM 1104 O PRO A 78 -2.065 -4.148 -10.617 1.00 0.00 O ATOM 1105 CB PRO A 78 -4.543 -6.567 -11.132 1.00 0.00 C ATOM 1106 CG PRO A 78 -5.256 -7.141 -9.873 1.00 0.00 C ATOM 1107 CD PRO A 78 -4.205 -8.086 -9.273 1.00 0.00 C ATOM 0 HA PRO A 78 -2.405 -6.388 -11.485 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -5.012 -5.644 -11.473 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.575 -7.268 -11.966 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.534 -6.353 -9.174 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.171 -7.672 -10.136 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -4.341 -8.222 -8.200 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.238 -9.077 -9.727 1.00 0.00 H new ATOM 1115 N TYR A 79 -3.478 -4.665 -8.981 1.00 0.00 N ATOM 1116 CA TYR A 79 -3.420 -3.389 -8.189 1.00 0.00 C ATOM 1117 C TYR A 79 -2.511 -2.190 -8.674 1.00 0.00 C ATOM 1118 O TYR A 79 -1.514 -1.901 -8.049 1.00 0.00 O ATOM 1119 CB TYR A 79 -3.039 -3.834 -6.802 1.00 0.00 C ATOM 1120 CG TYR A 79 -3.257 -2.778 -5.772 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -4.541 -2.541 -5.382 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -2.212 -2.083 -5.211 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -4.784 -1.620 -4.433 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -2.465 -1.141 -4.240 1.00 0.00 C ATOM 1125 CZ TYR A 79 -3.759 -0.916 -3.851 1.00 0.00 C ATOM 1126 OH TYR A 79 -4.045 -0.002 -2.877 1.00 0.00 O ATOM 0 H TYR A 79 -4.105 -5.352 -8.562 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.394 -2.912 -8.297 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.620 -4.718 -6.537 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -1.990 -4.129 -6.796 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.356 -3.088 -5.831 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.198 -2.275 -5.530 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.801 -1.431 -4.124 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.654 -0.587 -3.791 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.340 -0.468 -2.067 1.00 0.00 H new ATOM 1136 N THR A 80 -2.905 -1.539 -9.744 1.00 0.00 N ATOM 1137 CA THR A 80 -2.188 -0.353 -10.391 1.00 0.00 C ATOM 1138 C THR A 80 -0.639 -0.286 -10.382 1.00 0.00 C ATOM 1139 O THR A 80 -0.011 -0.208 -11.418 1.00 0.00 O ATOM 1140 CB THR A 80 -2.686 0.950 -9.736 1.00 0.00 C ATOM 1141 OG1 THR A 80 -4.100 0.938 -9.860 1.00 0.00 O ATOM 1142 CG2 THR A 80 -2.359 2.151 -10.576 1.00 0.00 C ATOM 0 H THR A 80 -3.759 -1.793 -10.241 1.00 0.00 H new ATOM 0 HA THR A 80 -2.443 -0.492 -11.442 1.00 0.00 H new ATOM 0 HB THR A 80 -2.260 1.001 -8.734 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.444 1.852 -9.775 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.725 3.051 -10.082 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.279 2.222 -10.705 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.835 2.053 -11.552 1.00 0.00 H new ATOM 1150 N ILE A 81 -0.045 -0.289 -9.221 1.00 0.00 N ATOM 1151 CA ILE A 81 1.460 -0.236 -9.072 1.00 0.00 C ATOM 1152 C ILE A 81 2.056 0.943 -9.886 1.00 0.00 C ATOM 1153 O ILE A 81 3.123 0.858 -10.461 1.00 0.00 O ATOM 1154 CB ILE A 81 1.937 -1.661 -9.549 1.00 0.00 C ATOM 1155 CG1 ILE A 81 1.434 -2.804 -8.626 1.00 0.00 C ATOM 1156 CG2 ILE A 81 3.481 -1.777 -9.592 1.00 0.00 C ATOM 1157 CD1 ILE A 81 1.899 -2.644 -7.157 1.00 0.00 C ATOM 0 H ILE A 81 -0.547 -0.327 -8.334 1.00 0.00 H new ATOM 0 HA ILE A 81 1.798 -0.039 -8.055 1.00 0.00 H new ATOM 0 HB ILE A 81 1.512 -1.768 -10.547 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.345 -2.835 -8.655 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.790 -3.759 -9.012 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.762 -2.776 -9.926 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.882 -1.037 -10.284 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.887 -1.600 -8.596 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.516 -3.473 -6.562 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.988 -2.642 -7.118 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.520 -1.704 -6.756 1.00 0.00 H new ATOM 1169 N SER A 82 1.348 2.043 -9.892 1.00 0.00 N ATOM 1170 CA SER A 82 1.831 3.247 -10.663 1.00 0.00 C ATOM 1171 C SER A 82 1.887 4.499 -9.759 1.00 0.00 C ATOM 1172 O SER A 82 1.280 4.502 -8.710 1.00 0.00 O ATOM 1173 CB SER A 82 0.858 3.451 -11.851 1.00 0.00 C ATOM 1174 OG SER A 82 0.861 2.222 -12.586 1.00 0.00 O ATOM 0 H SER A 82 0.462 2.168 -9.403 1.00 0.00 H new ATOM 0 HA SER A 82 2.845 3.087 -11.029 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.145 3.690 -11.496 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.180 4.281 -12.480 1.00 0.00 H new ATOM 0 HG SER A 82 0.384 1.535 -12.076 1.00 0.00 H new ATOM 1180 N PRO A 83 2.576 5.555 -10.128 1.00 0.00 N ATOM 1181 CA PRO A 83 2.904 6.640 -9.144 1.00 0.00 C ATOM 1182 C PRO A 83 1.675 7.524 -8.876 1.00 0.00 C ATOM 1183 O PRO A 83 1.375 7.934 -7.774 1.00 0.00 O ATOM 1184 CB PRO A 83 4.064 7.383 -9.799 1.00 0.00 C ATOM 1185 CG PRO A 83 3.724 7.268 -11.318 1.00 0.00 C ATOM 1186 CD PRO A 83 3.105 5.851 -11.496 1.00 0.00 C ATOM 0 HA PRO A 83 3.183 6.272 -8.157 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.117 8.422 -9.472 1.00 0.00 H new ATOM 0 HB3 PRO A 83 5.024 6.925 -9.562 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.023 8.044 -11.624 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.618 7.386 -11.931 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.315 5.845 -12.247 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.849 5.119 -11.810 1.00 0.00 H new ATOM 1194 N ASP A 84 0.989 7.767 -9.944 1.00 0.00 N ATOM 1195 CA ASP A 84 -0.256 8.598 -10.020 1.00 0.00 C ATOM 1196 C ASP A 84 -1.506 7.725 -9.704 1.00 0.00 C ATOM 1197 O ASP A 84 -2.648 8.137 -9.824 1.00 0.00 O ATOM 1198 CB ASP A 84 -0.208 9.135 -11.465 1.00 0.00 C ATOM 1199 CG ASP A 84 -0.012 7.957 -12.467 1.00 0.00 C ATOM 1200 OD1 ASP A 84 -0.272 6.822 -12.083 1.00 0.00 O ATOM 1201 OD2 ASP A 84 0.398 8.263 -13.565 1.00 0.00 O ATOM 0 H ASP A 84 1.261 7.392 -10.853 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.319 9.411 -9.296 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.131 9.668 -11.694 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.608 9.851 -11.569 1.00 0.00 H new ATOM 1206 N ILE A 85 -1.193 6.540 -9.260 1.00 0.00 N ATOM 1207 CA ILE A 85 -2.173 5.479 -8.898 1.00 0.00 C ATOM 1208 C ILE A 85 -3.658 5.844 -8.783 1.00 0.00 C ATOM 1209 O ILE A 85 -4.089 6.618 -7.955 1.00 0.00 O ATOM 1210 CB ILE A 85 -1.648 4.844 -7.567 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -2.515 3.618 -7.089 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -1.501 5.935 -6.474 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -3.740 3.987 -6.222 1.00 0.00 C ATOM 0 H ILE A 85 -0.225 6.248 -9.125 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.204 4.799 -9.749 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.659 4.430 -7.764 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.860 3.072 -7.967 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.878 2.940 -6.522 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.135 5.481 -5.553 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.794 6.694 -6.810 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.470 6.398 -6.290 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.274 3.079 -5.942 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.407 4.504 -5.322 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.405 4.638 -6.790 1.00 0.00 H new ATOM 1225 N ASP A 86 -4.429 5.246 -9.645 1.00 0.00 N ATOM 1226 CA ASP A 86 -5.892 5.495 -9.649 1.00 0.00 C ATOM 1227 C ASP A 86 -6.582 4.383 -8.863 1.00 0.00 C ATOM 1228 O ASP A 86 -6.111 3.260 -8.852 1.00 0.00 O ATOM 1229 CB ASP A 86 -6.366 5.549 -11.140 1.00 0.00 C ATOM 1230 CG ASP A 86 -7.057 6.865 -11.462 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -7.449 7.561 -10.541 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -7.168 7.087 -12.652 1.00 0.00 O ATOM 0 H ASP A 86 -4.103 4.589 -10.354 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.146 6.441 -9.171 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.508 5.417 -11.800 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.049 4.722 -11.335 1.00 0.00 H new ATOM 1237 N CYS A 87 -7.672 4.774 -8.260 1.00 0.00 N ATOM 1238 CA CYS A 87 -8.534 3.881 -7.412 1.00 0.00 C ATOM 1239 C CYS A 87 -9.741 3.352 -8.217 1.00 0.00 C ATOM 1240 O CYS A 87 -10.724 2.865 -7.683 1.00 0.00 O ATOM 1241 CB CYS A 87 -8.939 4.767 -6.239 1.00 0.00 C ATOM 1242 SG CYS A 87 -7.778 6.113 -5.917 1.00 0.00 S ATOM 0 H CYS A 87 -8.023 5.730 -8.322 1.00 0.00 H new ATOM 0 HA CYS A 87 -8.022 2.981 -7.070 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.925 5.188 -6.435 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -9.027 4.152 -5.343 1.00 0.00 H new ATOM 1247 N SER A 88 -9.550 3.489 -9.503 1.00 0.00 N ATOM 1248 CA SER A 88 -10.555 3.061 -10.521 1.00 0.00 C ATOM 1249 C SER A 88 -10.183 1.736 -11.209 1.00 0.00 C ATOM 1250 O SER A 88 -11.058 1.161 -11.823 1.00 0.00 O ATOM 1251 CB SER A 88 -10.687 4.216 -11.543 1.00 0.00 C ATOM 1252 OG SER A 88 -11.440 3.699 -12.642 1.00 0.00 O ATOM 0 H SER A 88 -8.705 3.896 -9.904 1.00 0.00 H new ATOM 0 HA SER A 88 -11.509 2.864 -10.032 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.190 5.074 -11.097 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.706 4.558 -11.871 1.00 0.00 H new ATOM 0 HG SER A 88 -11.751 2.794 -12.429 1.00 0.00 H new ATOM 1258 N ARG A 89 -8.946 1.294 -11.124 1.00 0.00 N ATOM 1259 CA ARG A 89 -8.542 -0.012 -11.773 1.00 0.00 C ATOM 1260 C ARG A 89 -7.896 -0.980 -10.735 1.00 0.00 C ATOM 1261 O ARG A 89 -6.997 -1.746 -11.028 1.00 0.00 O ATOM 1262 CB ARG A 89 -7.530 0.254 -12.986 1.00 0.00 C ATOM 1263 CG ARG A 89 -6.245 1.080 -12.687 1.00 0.00 C ATOM 1264 CD ARG A 89 -6.524 2.590 -12.576 1.00 0.00 C ATOM 1265 NE ARG A 89 -7.148 3.109 -13.850 1.00 0.00 N ATOM 1266 CZ ARG A 89 -8.276 3.724 -13.833 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -9.327 3.018 -13.914 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -8.303 4.995 -13.731 1.00 0.00 N ATOM 0 H ARG A 89 -8.194 1.778 -10.634 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.443 -0.484 -12.163 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.222 -0.713 -13.384 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.080 0.764 -13.777 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.799 0.727 -11.757 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.514 0.906 -13.477 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.189 2.782 -11.734 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.595 3.124 -12.376 1.00 0.00 H new ATOM 0 HE ARG A 89 -6.666 2.969 -14.738 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -9.255 2.003 -13.989 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -10.244 3.465 -13.904 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -7.431 5.520 -13.663 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -9.197 5.487 -13.717 1.00 0.00 H new ATOM 1282 N ILE A 90 -8.436 -0.887 -9.548 1.00 0.00 N ATOM 1283 CA ILE A 90 -8.009 -1.707 -8.366 1.00 0.00 C ATOM 1284 C ILE A 90 -9.184 -2.601 -7.965 1.00 0.00 C ATOM 1285 O ILE A 90 -10.300 -2.415 -8.415 1.00 0.00 O ATOM 1286 CB ILE A 90 -7.603 -0.720 -7.266 1.00 0.00 C ATOM 1287 CG1 ILE A 90 -6.092 -0.417 -7.474 1.00 0.00 C ATOM 1288 CG2 ILE A 90 -7.864 -1.260 -5.863 1.00 0.00 C ATOM 1289 CD1 ILE A 90 -5.535 0.553 -6.437 1.00 0.00 C ATOM 0 H ILE A 90 -9.197 -0.241 -9.337 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.161 -2.360 -8.573 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.206 0.185 -7.343 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.530 -1.350 -7.431 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.943 -0.001 -8.470 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.557 -0.519 -5.125 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.927 -1.470 -5.746 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.294 -2.177 -5.714 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.477 0.727 -6.633 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.075 1.498 -6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.655 0.128 -5.440 1.00 0.00 H new ATOM 1301 N TYR A 91 -8.840 -3.538 -7.130 1.00 0.00 N ATOM 1302 CA TYR A 91 -9.816 -4.523 -6.609 1.00 0.00 C ATOM 1303 C TYR A 91 -9.560 -4.559 -5.094 1.00 0.00 C ATOM 1304 O TYR A 91 -10.507 -4.355 -4.362 1.00 0.00 O ATOM 1305 CB TYR A 91 -9.516 -5.869 -7.329 1.00 0.00 C ATOM 1306 CG TYR A 91 -9.329 -5.516 -8.814 1.00 0.00 C ATOM 1307 CD1 TYR A 91 -10.410 -5.388 -9.656 1.00 0.00 C ATOM 1308 CD2 TYR A 91 -8.061 -5.274 -9.309 1.00 0.00 C ATOM 1309 CE1 TYR A 91 -10.222 -5.019 -10.973 1.00 0.00 C ATOM 1310 CE2 TYR A 91 -7.879 -4.905 -10.627 1.00 0.00 C ATOM 1311 CZ TYR A 91 -8.963 -4.776 -11.458 1.00 0.00 C ATOM 1312 OH TYR A 91 -8.803 -4.387 -12.768 1.00 0.00 O ATOM 1313 OXT TYR A 91 -8.412 -4.778 -4.749 1.00 0.00 O ATOM 0 H TYR A 91 -7.891 -3.663 -6.778 1.00 0.00 H new ATOM 0 HA TYR A 91 -10.867 -4.292 -6.786 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.620 -6.339 -6.923 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.335 -6.575 -7.195 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.407 -5.577 -9.286 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.205 -5.375 -8.659 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -11.075 -4.921 -11.628 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.884 -4.718 -11.003 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.850 -4.253 -12.956 1.00 0.00 H new TER 1323 TYR A 91 HETATM 1324 N1A COA A 92 0.089 6.731 9.337 1.00 0.00 N HETATM 1325 C2A COA A 92 1.367 6.417 9.084 1.00 0.00 C HETATM 1326 N3A COA A 92 2.344 7.250 8.739 1.00 0.00 N HETATM 1327 C4A COA A 92 1.927 8.547 8.656 1.00 0.00 C HETATM 1328 C5A COA A 92 0.653 9.010 8.888 1.00 0.00 C HETATM 1329 C6A COA A 92 -0.305 8.020 9.248 1.00 0.00 C HETATM 1330 N6A COA A 92 -1.586 8.287 9.508 1.00 0.00 N HETATM 1331 N7A COA A 92 0.592 10.385 8.708 1.00 0.00 N HETATM 1332 C8A COA A 92 1.817 10.710 8.377 1.00 0.00 C HETATM 1333 N9A COA A 92 2.695 9.647 8.325 1.00 0.00 N HETATM 1334 C1B COA A 92 4.165 9.646 8.006 1.00 0.00 C HETATM 1335 C2B COA A 92 4.498 8.670 6.861 1.00 0.00 C HETATM 1336 O2B COA A 92 5.230 7.527 7.357 1.00 0.00 O HETATM 1337 C3B COA A 92 5.418 9.463 5.933 1.00 0.00 C HETATM 1338 O3B COA A 92 6.834 9.256 6.289 1.00 0.00 O HETATM 1339 P3B COA A 92 7.794 8.088 5.690 1.00 0.00 P HETATM 1340 O7A COA A 92 8.237 7.328 6.886 1.00 0.00 O HETATM 1341 O8A COA A 92 6.863 7.288 4.875 1.00 0.00 O HETATM 1342 O9A COA A 92 8.842 8.809 4.940 1.00 0.00 O HETATM 1343 C4B COA A 92 5.019 10.925 6.208 1.00 0.00 C HETATM 1344 O4B COA A 92 4.562 10.967 7.575 1.00 0.00 O HETATM 1345 C5B COA A 92 3.855 11.458 5.282 1.00 0.00 C HETATM 1346 O5B COA A 92 2.522 10.970 5.561 1.00 0.00 O HETATM 1347 P1A COA A 92 1.268 10.916 4.537 1.00 0.00 P HETATM 1348 O1A COA A 92 1.647 9.983 3.462 1.00 0.00 O HETATM 1349 O2A COA A 92 0.799 12.287 4.248 1.00 0.00 O HETATM 1350 O3A COA A 92 0.381 10.221 5.576 1.00 0.00 O HETATM 1351 P2A COA A 92 -1.038 9.928 5.124 1.00 0.00 P HETATM 1352 O4A COA A 92 -1.516 10.841 4.070 1.00 0.00 O HETATM 1353 O5A COA A 92 -1.819 9.839 6.372 1.00 0.00 O HETATM 1354 O6A COA A 92 -1.333 8.458 4.495 1.00 0.00 O HETATM 1355 CBP COA A 92 0.410 6.712 4.830 1.00 0.00 C HETATM 1356 CCP COA A 92 -1.071 7.129 5.025 1.00 0.00 C HETATM 1357 CDP COA A 92 1.225 7.530 5.776 1.00 0.00 C HETATM 1358 CEP COA A 92 0.687 7.060 3.358 1.00 0.00 C HETATM 1359 CAP COA A 92 0.666 5.223 5.211 1.00 0.00 C HETATM 1360 OAP COA A 92 0.179 5.105 6.550 1.00 0.00 O HETATM 1361 C9P COA A 92 2.195 4.856 5.124 1.00 0.00 C HETATM 1362 O9P COA A 92 2.533 3.723 5.400 1.00 0.00 O HETATM 1363 N8P COA A 92 3.038 5.798 4.739 1.00 0.00 N HETATM 1364 C7P COA A 92 4.502 5.605 4.621 1.00 0.00 C HETATM 1365 C6P COA A 92 4.847 5.544 3.127 1.00 0.00 C HETATM 1366 C5P COA A 92 3.977 4.384 2.752 1.00 0.00 C HETATM 1367 O5P COA A 92 4.395 3.244 2.759 1.00 0.00 O HETATM 1368 N4P COA A 92 2.748 4.694 2.450 1.00 0.00 N HETATM 1369 C3P COA A 92 1.813 3.616 2.091 1.00 0.00 C HETATM 1370 C2P COA A 92 0.725 4.158 1.204 1.00 0.00 C HETATM 1371 S1P COA A 92 -0.715 3.126 0.754 1.00 0.00 S HETATM 0 HO2A COA A 92 4.662 7.016 7.970 1.00 0.00 H new HETATM 0 H62A COA A 92 -1.928 9.246 9.453 1.00 0.00 H new HETATM 0 H61A COA A 92 -2.223 7.532 9.762 1.00 0.00 H new HETATM 0 H52A COA A 92 3.839 12.546 5.349 1.00 0.00 H new HETATM 0 H51A COA A 92 4.100 11.206 4.250 1.00 0.00 H new HETATM 0 H143 COA A 92 0.009 6.497 2.717 1.00 0.00 H new HETATM 0 H142 COA A 92 0.532 8.127 3.201 1.00 0.00 H new HETATM 0 H141 COA A 92 1.717 6.803 3.111 1.00 0.00 H new HETATM 0 H133 COA A 92 1.091 8.588 5.551 1.00 0.00 H new HETATM 0 H132 COA A 92 0.902 7.333 6.798 1.00 0.00 H new HETATM 0 H131 COA A 92 2.278 7.267 5.671 1.00 0.00 H new HETATM 0 H122 COA A 92 -1.318 7.106 6.086 1.00 0.00 H new HETATM 0 H121 COA A 92 -1.720 6.406 4.531 1.00 0.00 H new HETATM 0 HO1 COA A 92 -0.695 4.662 6.542 1.00 0.00 H new HETATM 0 HN8 COA A 92 2.657 6.716 4.509 1.00 0.00 H new HETATM 0 HN4 COA A 92 2.440 5.666 2.462 1.00 0.00 H new HETATM 0 H8A COA A 92 2.118 11.735 8.161 1.00 0.00 H new HETATM 0 H72 COA A 92 5.036 6.424 5.103 1.00 0.00 H new HETATM 0 H71 COA A 92 4.808 4.686 5.122 1.00 0.00 H new HETATM 0 H62 COA A 92 4.587 6.459 2.594 1.00 0.00 H new HETATM 0 H61 COA A 92 5.905 5.357 2.943 1.00 0.00 H new HETATM 0 H4B COA A 92 5.883 11.559 6.009 1.00 0.00 H new HETATM 0 H3B COA A 92 5.317 9.168 4.889 1.00 0.00 H new HETATM 0 H32 COA A 92 2.347 2.815 1.579 1.00 0.00 H new HETATM 0 H31 COA A 92 1.378 3.184 2.992 1.00 0.00 H new HETATM 0 H2B COA A 92 3.594 8.304 6.375 1.00 0.00 H new HETATM 0 H2A COA A 92 1.635 5.364 9.171 1.00 0.00 H new HETATM 0 H22 COA A 92 0.338 5.056 1.684 1.00 0.00 H new HETATM 0 H21 COA A 92 1.197 4.473 0.273 1.00 0.00 H new HETATM 0 H1B COA A 92 4.694 9.340 8.908 1.00 0.00 H new HETATM 0 H10 COA A 92 0.166 4.536 4.528 1.00 0.00 H new HETATM 1403 C1 PLM A 96 -0.287 1.946 -0.567 1.00 0.00 C HETATM 1404 O1 PLM A 96 -0.798 1.909 -1.668 1.00 0.00 O HETATM 1405 C2 PLM A 96 0.776 0.965 -0.166 1.00 0.00 C HETATM 1406 C3 PLM A 96 1.598 0.406 -1.338 1.00 0.00 C HETATM 1407 C4 PLM A 96 2.349 1.524 -2.069 1.00 0.00 C HETATM 1408 C5 PLM A 96 3.254 0.904 -3.128 1.00 0.00 C HETATM 1409 C6 PLM A 96 4.414 0.196 -2.397 1.00 0.00 C HETATM 1410 C7 PLM A 96 5.487 -0.312 -3.359 1.00 0.00 C HETATM 1411 C8 PLM A 96 5.238 -1.768 -3.734 1.00 0.00 C HETATM 1412 C9 PLM A 96 4.125 -1.927 -4.780 1.00 0.00 C HETATM 1413 CA PLM A 96 3.199 -3.106 -4.404 1.00 0.00 C HETATM 1414 CB PLM A 96 1.850 -2.581 -3.876 1.00 0.00 C HETATM 1415 CC PLM A 96 0.994 -3.803 -3.501 1.00 0.00 C HETATM 1416 CD PLM A 96 -0.242 -3.330 -2.736 1.00 0.00 C HETATM 1417 CE PLM A 96 -1.122 -4.536 -2.387 1.00 0.00 C HETATM 1418 CF PLM A 96 -2.048 -4.137 -1.248 1.00 0.00 C HETATM 1419 CG PLM A 96 -3.170 -5.191 -1.109 1.00 0.00 C HETATM 0 HG3 PLM A 96 -3.737 -5.244 -2.039 1.00 0.00 H new HETATM 0 HG2 PLM A 96 -2.730 -6.165 -0.897 1.00 0.00 H new HETATM 0 HG1 PLM A 96 -3.836 -4.908 -0.294 1.00 0.00 H new HETATM 0 HF2 PLM A 96 -1.486 -4.062 -0.317 1.00 0.00 H new HETATM 0 HF1 PLM A 96 -2.478 -3.154 -1.441 1.00 0.00 H new HETATM 0 HE2 PLM A 96 -1.701 -4.848 -3.256 1.00 0.00 H new HETATM 0 HE1 PLM A 96 -0.504 -5.385 -2.095 1.00 0.00 H new HETATM 0 HD2 PLM A 96 0.058 -2.810 -1.826 1.00 0.00 H new HETATM 0 HD1 PLM A 96 -0.805 -2.618 -3.339 1.00 0.00 H new HETATM 0 HC2 PLM A 96 0.696 -4.344 -4.399 1.00 0.00 H new HETATM 0 HC1 PLM A 96 1.573 -4.495 -2.889 1.00 0.00 H new HETATM 0 HB2 PLM A 96 2.001 -1.938 -3.009 1.00 0.00 H new HETATM 0 HB1 PLM A 96 1.349 -1.980 -4.635 1.00 0.00 H new HETATM 0 HA2 PLM A 96 3.034 -3.740 -5.275 1.00 0.00 H new HETATM 0 HA1 PLM A 96 3.678 -3.725 -3.645 1.00 0.00 H new HETATM 0 H92 PLM A 96 3.545 -1.007 -4.846 1.00 0.00 H new HETATM 0 H91 PLM A 96 4.563 -2.099 -5.763 1.00 0.00 H new HETATM 0 H82 PLM A 96 6.160 -2.202 -4.121 1.00 0.00 H new HETATM 0 H81 PLM A 96 4.973 -2.330 -2.838 1.00 0.00 H new HETATM 0 H72 PLM A 96 5.495 0.303 -4.259 1.00 0.00 H new HETATM 0 H71 PLM A 96 6.470 -0.214 -2.898 1.00 0.00 H new HETATM 0 H62 PLM A 96 4.866 0.886 -1.685 1.00 0.00 H new HETATM 0 H61 PLM A 96 4.020 -0.642 -1.822 1.00 0.00 H new HETATM 0 H52 PLM A 96 2.697 0.194 -3.739 1.00 0.00 H new HETATM 0 H51 PLM A 96 3.637 1.671 -3.801 1.00 0.00 H new HETATM 0 H42 PLM A 96 1.642 2.211 -2.534 1.00 0.00 H new HETATM 0 H41 PLM A 96 2.941 2.105 -1.362 1.00 0.00 H new HETATM 0 H32 PLM A 96 2.309 -0.332 -0.968 1.00 0.00 H new HETATM 0 H31 PLM A 96 0.938 -0.109 -2.036 1.00 0.00 H new HETATM 0 H22 PLM A 96 1.453 1.449 0.539 1.00 0.00 H new HETATM 0 H21 PLM A 96 0.307 0.135 0.362 1.00 0.00 H new