USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 892 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 88 HIS : no HE2:sc= 0.964 K(o=0.97,f=-4.4!) USER MOD Set 1.2: A 93 SER OG : rot -85:sc= 0.0102 USER MOD Set 2.1: A 37 ASN : amide:sc= 0.411 K(o=1.1,f=-1.1!) USER MOD Set 2.2: A 106 THR OG1 : rot -150:sc= 0.712 USER MOD Single : A 1 MET CE :methyl -125:sc= -0.197 (180deg=-2.43!) USER MOD Single : A 1 MET N :NH3+ -149:sc= 0.934 (180deg=-0.276) USER MOD Single : A 2 LYS NZ :NH3+ -166:sc= 2.31 (180deg=1.75) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0216 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0041 USER MOD Single : A 10 GLN :FLIP amide:sc= -0.0711 F(o=-0.96,f=-0.071) USER MOD Single : A 14 HIS : no HD1:sc= -0.0765 X(o=-0.076,f=0) USER MOD Single : A 19 TYR OH : rot 30:sc= -0.0545 USER MOD Single : A 24 CYS SG : rot 1:sc= 0.223 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00527 USER MOD Single : A 32 THR OG1 : rot 100:sc= -0.937 USER MOD Single : A 43 HIS : no HD1:sc= -0.121 K(o=-0.12,f=-5.2!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.62) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.0708 F(o=-1.3!,f=-0.071) USER MOD Single : A 82 TYR OH : rot 82:sc= 0.812 USER MOD Single : A 83 HIS : no HE2:sc= 1.01 K(o=1,f=-5.4!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.196! C(o=-0.2!,f=-6.2!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 108:sc= 0.374 USER MOD Single : A 111 SER OG : rot -97:sc= 1.58 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 133 HIS : no HD1:sc= -0.0755 K(o=-0.075,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.831 -5.877 4.673 1.00 0.00 N ATOM 2 CA MET A 1 -8.881 -5.622 3.569 1.00 0.00 C ATOM 3 C MET A 1 -8.836 -6.804 2.608 1.00 0.00 C ATOM 4 O MET A 1 -8.382 -7.890 2.971 1.00 0.00 O ATOM 5 CB MET A 1 -7.475 -5.362 4.116 1.00 0.00 C ATOM 6 CG MET A 1 -6.412 -5.282 3.029 1.00 0.00 C ATOM 7 SD MET A 1 -4.740 -5.182 3.695 1.00 0.00 S ATOM 8 CE MET A 1 -3.775 -5.346 2.198 1.00 0.00 C ATOM 0 H1 MET A 1 -10.247 -4.977 4.988 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.587 -6.510 4.342 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.329 -6.323 5.467 1.00 0.00 H new ATOM 0 HA MET A 1 -9.228 -4.739 3.032 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.479 -4.429 4.680 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.212 -6.156 4.815 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.490 -6.158 2.385 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.602 -4.409 2.404 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.072 -6.172 2.307 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.439 -5.544 1.357 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.225 -4.423 2.017 1.00 0.00 H new ATOM 20 N LYS A 2 -9.307 -6.590 1.387 1.00 0.00 N ATOM 21 CA LYS A 2 -9.218 -7.603 0.346 1.00 0.00 C ATOM 22 C LYS A 2 -7.960 -7.391 -0.483 1.00 0.00 C ATOM 23 O LYS A 2 -7.604 -6.257 -0.807 1.00 0.00 O ATOM 24 CB LYS A 2 -10.441 -7.573 -0.580 1.00 0.00 C ATOM 25 CG LYS A 2 -11.647 -8.336 -0.056 1.00 0.00 C ATOM 26 CD LYS A 2 -12.328 -7.617 1.091 1.00 0.00 C ATOM 27 CE LYS A 2 -13.493 -8.428 1.630 1.00 0.00 C ATOM 28 NZ LYS A 2 -14.246 -7.686 2.669 1.00 0.00 N ATOM 0 H LYS A 2 -9.755 -5.722 1.093 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.182 -8.575 0.838 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.728 -6.535 -0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.158 -7.986 -1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.362 -8.482 -0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.333 -9.326 0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.608 -7.435 1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.684 -6.643 0.754 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.164 -8.689 0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.122 -9.364 2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.874 -8.341 3.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.579 -7.256 3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.814 -6.940 2.220 1.00 0.00 H new ATOM 42 N THR A 3 -7.278 -8.472 -0.802 1.00 0.00 N ATOM 43 CA THR A 3 -6.126 -8.402 -1.678 1.00 0.00 C ATOM 44 C THR A 3 -5.867 -9.770 -2.302 1.00 0.00 C ATOM 45 O THR A 3 -6.536 -10.747 -1.960 1.00 0.00 O ATOM 46 CB THR A 3 -4.870 -7.885 -0.938 1.00 0.00 C ATOM 47 OG1 THR A 3 -3.827 -7.599 -1.878 1.00 0.00 O ATOM 48 CG2 THR A 3 -4.374 -8.896 0.084 1.00 0.00 C ATOM 0 H THR A 3 -7.501 -9.410 -0.468 1.00 0.00 H new ATOM 0 HA THR A 3 -6.345 -7.685 -2.469 1.00 0.00 H new ATOM 0 HB THR A 3 -5.146 -6.972 -0.410 1.00 0.00 H new ATOM 0 HG1 THR A 3 -3.037 -7.271 -1.400 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.490 -8.502 0.586 1.00 0.00 H new ATOM 0 HG22 THR A 3 -5.156 -9.084 0.820 1.00 0.00 H new ATOM 0 HG23 THR A 3 -4.119 -9.828 -0.420 1.00 0.00 H new ATOM 56 N THR A 4 -4.920 -9.833 -3.220 1.00 0.00 N ATOM 57 CA THR A 4 -4.615 -11.064 -3.923 1.00 0.00 C ATOM 58 C THR A 4 -3.143 -11.435 -3.761 1.00 0.00 C ATOM 59 O THR A 4 -2.306 -10.571 -3.476 1.00 0.00 O ATOM 60 CB THR A 4 -4.961 -10.935 -5.420 1.00 0.00 C ATOM 61 OG1 THR A 4 -4.518 -9.664 -5.914 1.00 0.00 O ATOM 62 CG2 THR A 4 -6.461 -11.078 -5.647 1.00 0.00 C ATOM 0 H THR A 4 -4.345 -9.038 -3.497 1.00 0.00 H new ATOM 0 HA THR A 4 -5.223 -11.856 -3.486 1.00 0.00 H new ATOM 0 HB THR A 4 -4.452 -11.735 -5.958 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.739 -9.588 -6.866 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.679 -10.983 -6.711 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.791 -12.055 -5.295 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.988 -10.298 -5.098 1.00 0.00 H new ATOM 70 N PRO A 5 -2.821 -12.729 -3.922 1.00 0.00 N ATOM 71 CA PRO A 5 -1.448 -13.240 -3.824 1.00 0.00 C ATOM 72 C PRO A 5 -0.472 -12.463 -4.703 1.00 0.00 C ATOM 73 O PRO A 5 0.694 -12.290 -4.348 1.00 0.00 O ATOM 74 CB PRO A 5 -1.560 -14.695 -4.308 1.00 0.00 C ATOM 75 CG PRO A 5 -2.931 -14.830 -4.887 1.00 0.00 C ATOM 76 CD PRO A 5 -3.777 -13.806 -4.200 1.00 0.00 C ATOM 0 HA PRO A 5 -1.058 -13.146 -2.811 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.797 -14.918 -5.054 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.414 -15.393 -3.484 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -2.917 -14.664 -5.964 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.325 -15.833 -4.724 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.596 -13.466 -4.834 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.223 -14.197 -3.286 1.00 0.00 H new ATOM 84 N ASP A 6 -0.966 -11.993 -5.845 1.00 0.00 N ATOM 85 CA ASP A 6 -0.175 -11.200 -6.768 1.00 0.00 C ATOM 86 C ASP A 6 0.386 -9.973 -6.069 1.00 0.00 C ATOM 87 O ASP A 6 1.578 -9.687 -6.145 1.00 0.00 O ATOM 88 CB ASP A 6 -1.040 -10.744 -7.933 1.00 0.00 C ATOM 89 CG ASP A 6 -1.887 -11.850 -8.521 1.00 0.00 C ATOM 90 OD1 ASP A 6 -2.994 -12.089 -7.995 1.00 0.00 O ATOM 91 OD2 ASP A 6 -1.468 -12.463 -9.520 1.00 0.00 O ATOM 0 H ASP A 6 -1.925 -12.153 -6.152 1.00 0.00 H new ATOM 0 HA ASP A 6 0.646 -11.818 -7.132 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.691 -9.937 -7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.399 -10.334 -8.713 1.00 0.00 H new ATOM 96 N ILE A 7 -0.490 -9.256 -5.376 1.00 0.00 N ATOM 97 CA ILE A 7 -0.114 -8.027 -4.690 1.00 0.00 C ATOM 98 C ILE A 7 0.842 -8.328 -3.545 1.00 0.00 C ATOM 99 O ILE A 7 1.870 -7.665 -3.393 1.00 0.00 O ATOM 100 CB ILE A 7 -1.361 -7.291 -4.142 1.00 0.00 C ATOM 101 CG1 ILE A 7 -2.343 -6.970 -5.276 1.00 0.00 C ATOM 102 CG2 ILE A 7 -0.961 -6.020 -3.405 1.00 0.00 C ATOM 103 CD1 ILE A 7 -1.763 -6.083 -6.357 1.00 0.00 C ATOM 0 H ILE A 7 -1.473 -9.508 -5.274 1.00 0.00 H new ATOM 0 HA ILE A 7 0.382 -7.382 -5.415 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.859 -7.953 -3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.679 -7.903 -5.727 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.223 -6.484 -4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.854 -5.521 -3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.309 -6.274 -2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.433 -5.354 -4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.518 -5.901 -7.122 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.453 -5.133 -5.921 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.901 -6.575 -6.807 1.00 0.00 H new ATOM 115 N LEU A 8 0.511 -9.352 -2.767 1.00 0.00 N ATOM 116 CA LEU A 8 1.317 -9.738 -1.614 1.00 0.00 C ATOM 117 C LEU A 8 2.741 -10.097 -2.026 1.00 0.00 C ATOM 118 O LEU A 8 3.705 -9.714 -1.363 1.00 0.00 O ATOM 119 CB LEU A 8 0.671 -10.920 -0.891 1.00 0.00 C ATOM 120 CG LEU A 8 -0.709 -10.641 -0.294 1.00 0.00 C ATOM 121 CD1 LEU A 8 -1.287 -11.903 0.331 1.00 0.00 C ATOM 122 CD2 LEU A 8 -0.628 -9.524 0.737 1.00 0.00 C ATOM 0 H LEU A 8 -0.314 -9.933 -2.915 1.00 0.00 H new ATOM 0 HA LEU A 8 1.365 -8.883 -0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.585 -11.751 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.337 -11.244 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.372 -10.321 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.269 -11.684 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.382 -12.676 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.624 -12.253 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.619 -9.339 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.051 -9.816 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.258 -8.616 0.261 1.00 0.00 H new ATOM 134 N ASP A 9 2.873 -10.830 -3.125 1.00 0.00 N ATOM 135 CA ASP A 9 4.185 -11.235 -3.606 1.00 0.00 C ATOM 136 C ASP A 9 4.959 -10.030 -4.127 1.00 0.00 C ATOM 137 O ASP A 9 6.154 -9.893 -3.869 1.00 0.00 O ATOM 138 CB ASP A 9 4.063 -12.291 -4.700 1.00 0.00 C ATOM 139 CG ASP A 9 5.362 -13.037 -4.912 1.00 0.00 C ATOM 140 OD1 ASP A 9 5.687 -13.907 -4.074 1.00 0.00 O ATOM 141 OD2 ASP A 9 6.064 -12.763 -5.902 1.00 0.00 O ATOM 0 H ASP A 9 2.092 -11.154 -3.696 1.00 0.00 H new ATOM 0 HA ASP A 9 4.730 -11.669 -2.768 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.277 -12.999 -4.435 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.762 -11.814 -5.633 1.00 0.00 H new ATOM 146 N GLN A 10 4.262 -9.151 -4.847 1.00 0.00 N ATOM 147 CA GLN A 10 4.862 -7.921 -5.356 1.00 0.00 C ATOM 148 C GLN A 10 5.432 -7.074 -4.221 1.00 0.00 C ATOM 149 O GLN A 10 6.495 -6.472 -4.368 1.00 0.00 O ATOM 150 CB GLN A 10 3.835 -7.112 -6.151 1.00 0.00 C ATOM 151 CG GLN A 10 3.452 -7.756 -7.469 1.00 0.00 C ATOM 152 CD GLN A 10 2.448 -6.935 -8.253 1.00 0.00 C ATOM 153 OE1 GLN A 10 1.171 -7.194 -8.027 1.00 0.00 O flip ATOM 154 NE2 GLN A 10 2.816 -6.075 -9.055 1.00 0.00 N flip ATOM 0 H GLN A 10 3.279 -9.270 -5.091 1.00 0.00 H new ATOM 0 HA GLN A 10 5.682 -8.200 -6.018 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.939 -6.981 -5.545 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.237 -6.118 -6.344 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.348 -7.899 -8.073 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.036 -8.745 -7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.811 -5.906 -9.200 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.125 -5.532 -9.573 1.00 0.00 H new ATOM 163 N ILE A 11 4.730 -7.040 -3.091 1.00 0.00 N ATOM 164 CA ILE A 11 5.202 -6.306 -1.921 1.00 0.00 C ATOM 165 C ILE A 11 6.548 -6.853 -1.453 1.00 0.00 C ATOM 166 O ILE A 11 7.451 -6.092 -1.108 1.00 0.00 O ATOM 167 CB ILE A 11 4.188 -6.369 -0.752 1.00 0.00 C ATOM 168 CG1 ILE A 11 2.844 -5.764 -1.173 1.00 0.00 C ATOM 169 CG2 ILE A 11 4.733 -5.638 0.468 1.00 0.00 C ATOM 170 CD1 ILE A 11 1.760 -5.887 -0.122 1.00 0.00 C ATOM 0 H ILE A 11 3.835 -7.511 -2.961 1.00 0.00 H new ATOM 0 HA ILE A 11 5.313 -5.264 -2.221 1.00 0.00 H new ATOM 0 HB ILE A 11 4.033 -7.416 -0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.989 -4.710 -1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.507 -6.252 -2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.007 -5.693 1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.666 -6.104 0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.916 -4.594 0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.840 -5.436 -0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.585 -6.940 0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.074 -5.374 0.787 1.00 0.00 H new ATOM 182 N ARG A 12 6.686 -8.177 -1.466 1.00 0.00 N ATOM 183 CA ARG A 12 7.933 -8.813 -1.054 1.00 0.00 C ATOM 184 C ARG A 12 9.062 -8.452 -2.011 1.00 0.00 C ATOM 185 O ARG A 12 10.135 -8.022 -1.587 1.00 0.00 O ATOM 186 CB ARG A 12 7.788 -10.336 -1.002 1.00 0.00 C ATOM 187 CG ARG A 12 6.685 -10.824 -0.083 1.00 0.00 C ATOM 188 CD ARG A 12 6.823 -12.312 0.208 1.00 0.00 C ATOM 189 NE ARG A 12 6.802 -13.126 -1.006 1.00 0.00 N ATOM 190 CZ ARG A 12 7.239 -14.386 -1.062 1.00 0.00 C ATOM 191 NH1 ARG A 12 7.769 -14.960 0.011 1.00 0.00 N ATOM 192 NH2 ARG A 12 7.145 -15.063 -2.198 1.00 0.00 N ATOM 0 H ARG A 12 5.954 -8.826 -1.756 1.00 0.00 H new ATOM 0 HA ARG A 12 8.170 -8.446 -0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.597 -10.706 -2.009 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.734 -10.769 -0.678 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.714 -10.265 0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.715 -10.630 -0.541 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.756 -12.489 0.744 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.013 -12.627 0.866 1.00 0.00 H new ATOM 0 HE ARG A 12 6.432 -12.707 -1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.844 -14.438 0.884 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.101 -15.923 -0.038 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.740 -14.621 -3.023 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.477 -16.026 -2.247 1.00 0.00 H new ATOM 206 N VAL A 13 8.803 -8.611 -3.305 1.00 0.00 N ATOM 207 CA VAL A 13 9.820 -8.372 -4.322 1.00 0.00 C ATOM 208 C VAL A 13 10.206 -6.899 -4.374 1.00 0.00 C ATOM 209 O VAL A 13 11.383 -6.563 -4.337 1.00 0.00 O ATOM 210 CB VAL A 13 9.339 -8.821 -5.718 1.00 0.00 C ATOM 211 CG1 VAL A 13 10.428 -8.604 -6.758 1.00 0.00 C ATOM 212 CG2 VAL A 13 8.905 -10.279 -5.692 1.00 0.00 C ATOM 0 H VAL A 13 7.898 -8.904 -3.674 1.00 0.00 H new ATOM 0 HA VAL A 13 10.693 -8.963 -4.044 1.00 0.00 H new ATOM 0 HB VAL A 13 8.478 -8.212 -5.994 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.068 -8.927 -7.735 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.687 -7.546 -6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.311 -9.183 -6.487 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.569 -10.576 -6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.746 -10.904 -5.391 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.088 -10.403 -4.981 1.00 0.00 H new ATOM 222 N HIS A 14 9.210 -6.022 -4.432 1.00 0.00 N ATOM 223 CA HIS A 14 9.461 -4.584 -4.480 1.00 0.00 C ATOM 224 C HIS A 14 10.060 -4.083 -3.169 1.00 0.00 C ATOM 225 O HIS A 14 10.779 -3.082 -3.152 1.00 0.00 O ATOM 226 CB HIS A 14 8.193 -3.801 -4.826 1.00 0.00 C ATOM 227 CG HIS A 14 7.805 -3.906 -6.273 1.00 0.00 C ATOM 228 ND1 HIS A 14 8.431 -3.191 -7.277 1.00 0.00 N ATOM 229 CD2 HIS A 14 6.851 -4.648 -6.886 1.00 0.00 C ATOM 230 CE1 HIS A 14 7.877 -3.490 -8.437 1.00 0.00 C ATOM 231 NE2 HIS A 14 6.919 -4.369 -8.228 1.00 0.00 N ATOM 0 H HIS A 14 8.223 -6.279 -4.447 1.00 0.00 H new ATOM 0 HA HIS A 14 10.187 -4.412 -5.275 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.371 -4.164 -4.209 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.342 -2.751 -4.572 1.00 0.00 H new ATOM 0 HD2 HIS A 14 6.165 -5.331 -6.408 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.161 -3.083 -9.396 1.00 0.00 H new ATOM 0 HE2 HIS A 14 6.323 -4.777 -8.948 1.00 0.00 H new ATOM 240 N GLY A 15 9.748 -4.770 -2.077 1.00 0.00 N ATOM 241 CA GLY A 15 10.323 -4.429 -0.792 1.00 0.00 C ATOM 242 C GLY A 15 11.813 -4.697 -0.748 1.00 0.00 C ATOM 243 O GLY A 15 12.593 -3.827 -0.363 1.00 0.00 O ATOM 0 H GLY A 15 9.104 -5.561 -2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.138 -3.376 -0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.828 -5.004 -0.009 1.00 0.00 H new ATOM 247 N ALA A 16 12.210 -5.893 -1.166 1.00 0.00 N ATOM 248 CA ALA A 16 13.623 -6.249 -1.232 1.00 0.00 C ATOM 249 C ALA A 16 14.318 -5.466 -2.339 1.00 0.00 C ATOM 250 O ALA A 16 15.510 -5.166 -2.256 1.00 0.00 O ATOM 251 CB ALA A 16 13.781 -7.745 -1.459 1.00 0.00 C ATOM 0 H ALA A 16 11.574 -6.633 -1.464 1.00 0.00 H new ATOM 0 HA ALA A 16 14.091 -5.991 -0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.841 -7.996 -1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.315 -8.289 -0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.300 -8.023 -2.397 1.00 0.00 H new ATOM 257 N ASP A 17 13.550 -5.139 -3.371 1.00 0.00 N ATOM 258 CA ASP A 17 14.017 -4.317 -4.486 1.00 0.00 C ATOM 259 C ASP A 17 14.463 -2.948 -4.003 1.00 0.00 C ATOM 260 O ASP A 17 15.434 -2.380 -4.499 1.00 0.00 O ATOM 261 CB ASP A 17 12.878 -4.152 -5.488 1.00 0.00 C ATOM 262 CG ASP A 17 13.245 -3.317 -6.697 1.00 0.00 C ATOM 263 OD1 ASP A 17 13.760 -3.879 -7.682 1.00 0.00 O ATOM 264 OD2 ASP A 17 12.983 -2.096 -6.681 1.00 0.00 O ATOM 0 H ASP A 17 12.579 -5.438 -3.461 1.00 0.00 H new ATOM 0 HA ASP A 17 14.869 -4.810 -4.954 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.555 -5.138 -5.823 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.027 -3.692 -4.985 1.00 0.00 H new ATOM 269 N ALA A 18 13.730 -2.431 -3.035 1.00 0.00 N ATOM 270 CA ALA A 18 14.027 -1.127 -2.457 1.00 0.00 C ATOM 271 C ALA A 18 15.331 -1.154 -1.669 1.00 0.00 C ATOM 272 O ALA A 18 16.152 -0.247 -1.792 1.00 0.00 O ATOM 273 CB ALA A 18 12.883 -0.671 -1.569 1.00 0.00 C ATOM 0 H ALA A 18 12.918 -2.895 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 18 14.145 -0.417 -3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.119 0.305 -1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.970 -0.598 -2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.737 -1.392 -0.764 1.00 0.00 H new ATOM 279 N TYR A 19 15.519 -2.208 -0.874 1.00 0.00 N ATOM 280 CA TYR A 19 16.699 -2.329 -0.014 1.00 0.00 C ATOM 281 C TYR A 19 17.986 -2.292 -0.834 1.00 0.00 C ATOM 282 O TYR A 19 18.029 -2.799 -1.956 1.00 0.00 O ATOM 283 CB TYR A 19 16.636 -3.618 0.813 1.00 0.00 C ATOM 284 CG TYR A 19 15.838 -3.476 2.091 1.00 0.00 C ATOM 285 CD1 TYR A 19 14.454 -3.366 2.064 1.00 0.00 C ATOM 286 CD2 TYR A 19 16.475 -3.439 3.326 1.00 0.00 C ATOM 287 CE1 TYR A 19 13.727 -3.227 3.229 1.00 0.00 C ATOM 288 CE2 TYR A 19 15.753 -3.299 4.495 1.00 0.00 C ATOM 289 CZ TYR A 19 14.380 -3.193 4.440 1.00 0.00 C ATOM 290 OH TYR A 19 13.658 -3.058 5.601 1.00 0.00 O ATOM 0 H TYR A 19 14.869 -2.991 -0.807 1.00 0.00 H new ATOM 0 HA TYR A 19 16.703 -1.476 0.665 1.00 0.00 H new ATOM 0 HB2 TYR A 19 16.197 -4.409 0.205 1.00 0.00 H new ATOM 0 HB3 TYR A 19 17.650 -3.932 1.060 1.00 0.00 H new ATOM 0 HD1 TYR A 19 13.938 -3.390 1.116 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.551 -3.521 3.372 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.651 -3.145 3.190 1.00 0.00 H new ATOM 0 HE2 TYR A 19 16.262 -3.273 5.447 1.00 0.00 H new ATOM 0 HH TYR A 19 12.773 -3.462 5.485 1.00 0.00 H new ATOM 300 N PRO A 20 19.065 -1.705 -0.283 1.00 0.00 N ATOM 301 CA PRO A 20 19.101 -1.182 1.090 1.00 0.00 C ATOM 302 C PRO A 20 18.457 0.203 1.241 1.00 0.00 C ATOM 303 O PRO A 20 18.376 0.740 2.346 1.00 0.00 O ATOM 304 CB PRO A 20 20.596 -1.103 1.381 1.00 0.00 C ATOM 305 CG PRO A 20 21.221 -0.830 0.056 1.00 0.00 C ATOM 306 CD PRO A 20 20.356 -1.512 -0.974 1.00 0.00 C ATOM 0 HA PRO A 20 18.534 -1.815 1.772 1.00 0.00 H new ATOM 0 HB2 PRO A 20 20.820 -0.311 2.096 1.00 0.00 H new ATOM 0 HB3 PRO A 20 20.966 -2.034 1.810 1.00 0.00 H new ATOM 0 HG2 PRO A 20 21.277 0.242 -0.133 1.00 0.00 H new ATOM 0 HG3 PRO A 20 22.241 -1.214 0.022 1.00 0.00 H new ATOM 0 HD2 PRO A 20 20.243 -0.900 -1.869 1.00 0.00 H new ATOM 0 HD3 PRO A 20 20.786 -2.462 -1.290 1.00 0.00 H new ATOM 314 N GLU A 21 18.022 0.777 0.131 1.00 0.00 N ATOM 315 CA GLU A 21 17.406 2.098 0.141 1.00 0.00 C ATOM 316 C GLU A 21 15.937 1.992 0.560 1.00 0.00 C ATOM 317 O GLU A 21 15.430 0.890 0.785 1.00 0.00 O ATOM 318 CB GLU A 21 17.567 2.744 -1.239 1.00 0.00 C ATOM 319 CG GLU A 21 19.030 2.880 -1.646 1.00 0.00 C ATOM 320 CD GLU A 21 19.221 3.376 -3.064 1.00 0.00 C ATOM 321 OE1 GLU A 21 19.222 2.540 -3.995 1.00 0.00 O ATOM 322 OE2 GLU A 21 19.412 4.597 -3.253 1.00 0.00 O ATOM 0 H GLU A 21 18.084 0.349 -0.793 1.00 0.00 H new ATOM 0 HA GLU A 21 17.903 2.736 0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.039 2.146 -1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 21 17.100 3.729 -1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 21 19.527 3.566 -0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 21 19.520 1.912 -1.539 1.00 0.00 H new ATOM 329 N GLU A 22 15.250 3.121 0.690 1.00 0.00 N ATOM 330 CA GLU A 22 13.887 3.101 1.206 1.00 0.00 C ATOM 331 C GLU A 22 12.861 3.080 0.079 1.00 0.00 C ATOM 332 O GLU A 22 13.013 3.762 -0.936 1.00 0.00 O ATOM 333 CB GLU A 22 13.616 4.287 2.149 1.00 0.00 C ATOM 334 CG GLU A 22 13.603 5.656 1.480 1.00 0.00 C ATOM 335 CD GLU A 22 14.990 6.216 1.243 1.00 0.00 C ATOM 336 OE1 GLU A 22 15.640 5.820 0.256 1.00 0.00 O ATOM 337 OE2 GLU A 22 15.433 7.066 2.046 1.00 0.00 O ATOM 0 H GLU A 22 15.606 4.046 0.450 1.00 0.00 H new ATOM 0 HA GLU A 22 13.784 2.180 1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.655 4.130 2.638 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.375 4.290 2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.080 5.583 0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.038 6.352 2.101 1.00 0.00 H new ATOM 344 N GLY A 23 11.819 2.283 0.269 1.00 0.00 N ATOM 345 CA GLY A 23 10.746 2.210 -0.699 1.00 0.00 C ATOM 346 C GLY A 23 9.443 2.728 -0.131 1.00 0.00 C ATOM 347 O GLY A 23 9.089 3.883 -0.359 1.00 0.00 O ATOM 0 H GLY A 23 11.698 1.681 1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.013 2.789 -1.583 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.617 1.177 -1.022 1.00 0.00 H new ATOM 351 N CYS A 24 8.746 1.860 0.615 1.00 0.00 N ATOM 352 CA CYS A 24 7.473 2.188 1.287 1.00 0.00 C ATOM 353 C CYS A 24 6.483 2.914 0.364 1.00 0.00 C ATOM 354 O CYS A 24 6.636 2.910 -0.861 1.00 0.00 O ATOM 355 CB CYS A 24 7.719 2.992 2.577 1.00 0.00 C ATOM 356 SG CYS A 24 8.610 4.552 2.362 1.00 0.00 S ATOM 0 H CYS A 24 9.050 0.899 0.773 1.00 0.00 H new ATOM 0 HA CYS A 24 7.009 1.239 1.555 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.756 3.204 3.042 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.278 2.367 3.273 1.00 0.00 H new ATOM 0 HG CYS A 24 8.869 4.733 1.101 1.00 0.00 H new ATOM 362 N GLY A 25 5.438 3.490 0.944 1.00 0.00 N ATOM 363 CA GLY A 25 4.474 4.223 0.152 1.00 0.00 C ATOM 364 C GLY A 25 3.043 3.946 0.567 1.00 0.00 C ATOM 365 O GLY A 25 2.781 3.582 1.712 1.00 0.00 O ATOM 0 H GLY A 25 5.242 3.462 1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.673 5.291 0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.600 3.962 -0.899 1.00 0.00 H new ATOM 369 N PHE A 26 2.119 4.083 -0.377 1.00 0.00 N ATOM 370 CA PHE A 26 0.694 3.977 -0.083 1.00 0.00 C ATOM 371 C PHE A 26 0.050 2.851 -0.883 1.00 0.00 C ATOM 372 O PHE A 26 0.640 2.331 -1.833 1.00 0.00 O ATOM 373 CB PHE A 26 -0.014 5.301 -0.394 1.00 0.00 C ATOM 374 CG PHE A 26 0.460 6.453 0.445 1.00 0.00 C ATOM 375 CD1 PHE A 26 1.518 7.244 0.028 1.00 0.00 C ATOM 376 CD2 PHE A 26 -0.158 6.745 1.649 1.00 0.00 C ATOM 377 CE1 PHE A 26 1.953 8.306 0.800 1.00 0.00 C ATOM 378 CE2 PHE A 26 0.272 7.806 2.425 1.00 0.00 C ATOM 379 CZ PHE A 26 1.329 8.586 2.000 1.00 0.00 C ATOM 0 H PHE A 26 2.332 4.269 -1.357 1.00 0.00 H new ATOM 0 HA PHE A 26 0.588 3.752 0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.136 5.544 -1.446 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.086 5.173 -0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.008 7.029 -0.910 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.985 6.138 1.986 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.779 8.915 0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.218 8.024 3.362 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.667 9.414 2.605 1.00 0.00 H new ATOM 389 N LEU A 27 -1.164 2.491 -0.496 1.00 0.00 N ATOM 390 CA LEU A 27 -1.903 1.423 -1.150 1.00 0.00 C ATOM 391 C LEU A 27 -3.098 1.989 -1.904 1.00 0.00 C ATOM 392 O LEU A 27 -3.880 2.768 -1.350 1.00 0.00 O ATOM 393 CB LEU A 27 -2.394 0.411 -0.115 1.00 0.00 C ATOM 394 CG LEU A 27 -1.310 -0.198 0.776 1.00 0.00 C ATOM 395 CD1 LEU A 27 -1.942 -1.066 1.849 1.00 0.00 C ATOM 396 CD2 LEU A 27 -0.329 -1.013 -0.054 1.00 0.00 C ATOM 0 H LEU A 27 -1.663 2.930 0.278 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.236 0.927 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.132 0.898 0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.907 -0.397 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.761 0.612 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.161 -1.494 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.609 -0.459 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.511 -1.869 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.434 -1.438 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.862 -1.817 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.144 -0.368 -0.795 1.00 0.00 H new ATOM 408 N LEU A 28 -3.241 1.595 -3.157 1.00 0.00 N ATOM 409 CA LEU A 28 -4.343 2.058 -3.985 1.00 0.00 C ATOM 410 C LEU A 28 -5.250 0.885 -4.328 1.00 0.00 C ATOM 411 O LEU A 28 -4.777 -0.241 -4.503 1.00 0.00 O ATOM 412 CB LEU A 28 -3.807 2.698 -5.270 1.00 0.00 C ATOM 413 CG LEU A 28 -2.759 3.796 -5.069 1.00 0.00 C ATOM 414 CD1 LEU A 28 -2.259 4.308 -6.412 1.00 0.00 C ATOM 415 CD2 LEU A 28 -3.329 4.937 -4.240 1.00 0.00 C ATOM 0 H LEU A 28 -2.604 0.952 -3.627 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.913 2.806 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.374 1.915 -5.892 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.646 3.118 -5.824 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.915 3.369 -4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.515 5.088 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.809 3.487 -6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.095 4.717 -6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.568 5.707 -4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.192 5.363 -4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.636 4.560 -3.264 1.00 0.00 H new ATOM 427 N GLY A 29 -6.545 1.129 -4.414 1.00 0.00 N ATOM 428 CA GLY A 29 -7.454 0.058 -4.749 1.00 0.00 C ATOM 429 C GLY A 29 -8.898 0.497 -4.787 1.00 0.00 C ATOM 430 O GLY A 29 -9.195 1.690 -4.864 1.00 0.00 O ATOM 0 H GLY A 29 -6.980 2.039 -4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.180 -0.353 -5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.344 -0.745 -4.021 1.00 0.00 H new ATOM 434 N THR A 30 -9.789 -0.480 -4.725 1.00 0.00 N ATOM 435 CA THR A 30 -11.219 -0.240 -4.782 1.00 0.00 C ATOM 436 C THR A 30 -11.865 -0.518 -3.432 1.00 0.00 C ATOM 437 O THR A 30 -11.307 -1.238 -2.602 1.00 0.00 O ATOM 438 CB THR A 30 -11.886 -1.143 -5.842 1.00 0.00 C ATOM 439 OG1 THR A 30 -11.322 -2.465 -5.780 1.00 0.00 O ATOM 440 CG2 THR A 30 -11.709 -0.572 -7.238 1.00 0.00 C ATOM 0 H THR A 30 -9.538 -1.464 -4.633 1.00 0.00 H new ATOM 0 HA THR A 30 -11.364 0.806 -5.051 1.00 0.00 H new ATOM 0 HB THR A 30 -12.953 -1.191 -5.627 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.749 -3.035 -6.453 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.189 -1.229 -7.963 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.165 0.417 -7.287 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.646 -0.494 -7.467 1.00 0.00 H new ATOM 448 N VAL A 31 -13.033 0.054 -3.208 1.00 0.00 N ATOM 449 CA VAL A 31 -13.808 -0.268 -2.024 1.00 0.00 C ATOM 450 C VAL A 31 -14.754 -1.408 -2.357 1.00 0.00 C ATOM 451 O VAL A 31 -15.599 -1.292 -3.242 1.00 0.00 O ATOM 452 CB VAL A 31 -14.595 0.947 -1.494 1.00 0.00 C ATOM 453 CG1 VAL A 31 -15.220 0.628 -0.148 1.00 0.00 C ATOM 454 CG2 VAL A 31 -13.695 2.172 -1.390 1.00 0.00 C ATOM 0 H VAL A 31 -13.465 0.741 -3.827 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.121 -0.565 -1.232 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.393 1.172 -2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.772 1.496 0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -15.901 -0.216 -0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.436 0.375 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -14.272 3.017 -1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.872 1.962 -0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.296 2.415 -2.375 1.00 0.00 H new ATOM 464 N THR A 32 -14.605 -2.510 -1.647 1.00 0.00 N ATOM 465 CA THR A 32 -15.240 -3.753 -2.040 1.00 0.00 C ATOM 466 C THR A 32 -16.629 -3.888 -1.443 1.00 0.00 C ATOM 467 O THR A 32 -17.598 -4.207 -2.131 1.00 0.00 O ATOM 468 CB THR A 32 -14.376 -4.946 -1.601 1.00 0.00 C ATOM 469 OG1 THR A 32 -13.016 -4.726 -1.996 1.00 0.00 O ATOM 470 CG2 THR A 32 -14.880 -6.236 -2.217 1.00 0.00 C ATOM 0 H THR A 32 -14.049 -2.570 -0.794 1.00 0.00 H new ATOM 0 HA THR A 32 -15.337 -3.744 -3.126 1.00 0.00 H new ATOM 0 HB THR A 32 -14.437 -5.034 -0.516 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.500 -4.404 -1.228 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.252 -7.065 -1.891 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.908 -6.413 -1.900 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.843 -6.159 -3.304 1.00 0.00 H new ATOM 478 N ASP A 33 -16.710 -3.625 -0.163 1.00 0.00 N ATOM 479 CA ASP A 33 -17.940 -3.826 0.586 1.00 0.00 C ATOM 480 C ASP A 33 -18.667 -2.517 0.805 1.00 0.00 C ATOM 481 O ASP A 33 -19.700 -2.471 1.473 1.00 0.00 O ATOM 482 CB ASP A 33 -17.621 -4.438 1.941 1.00 0.00 C ATOM 483 CG ASP A 33 -17.022 -5.824 1.838 1.00 0.00 C ATOM 484 OD1 ASP A 33 -15.808 -5.928 1.561 1.00 0.00 O ATOM 485 OD2 ASP A 33 -17.757 -6.811 2.038 1.00 0.00 O ATOM 0 H ASP A 33 -15.934 -3.267 0.393 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.579 -4.493 0.008 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -16.927 -3.787 2.473 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.533 -4.486 2.536 1.00 0.00 H new ATOM 490 N ASP A 34 -18.103 -1.456 0.244 1.00 0.00 N ATOM 491 CA ASP A 34 -18.545 -0.085 0.520 1.00 0.00 C ATOM 492 C ASP A 34 -18.334 0.193 2.005 1.00 0.00 C ATOM 493 O ASP A 34 -19.022 0.995 2.638 1.00 0.00 O ATOM 494 CB ASP A 34 -20.007 0.118 0.105 1.00 0.00 C ATOM 495 CG ASP A 34 -20.464 1.560 0.238 1.00 0.00 C ATOM 496 OD1 ASP A 34 -19.837 2.456 -0.369 1.00 0.00 O ATOM 497 OD2 ASP A 34 -21.457 1.802 0.952 1.00 0.00 O ATOM 0 H ASP A 34 -17.327 -1.515 -0.415 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.959 0.622 -0.067 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -20.134 -0.204 -0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -20.645 -0.518 0.718 1.00 0.00 H new ATOM 502 N GLY A 35 -17.342 -0.502 2.533 1.00 0.00 N ATOM 503 CA GLY A 35 -16.983 -0.409 3.930 1.00 0.00 C ATOM 504 C GLY A 35 -15.608 -0.996 4.170 1.00 0.00 C ATOM 505 O GLY A 35 -14.869 -0.540 5.037 1.00 0.00 O ATOM 0 H GLY A 35 -16.762 -1.149 1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -16.999 0.634 4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -17.720 -0.937 4.536 1.00 0.00 H new ATOM 509 N ASP A 36 -15.265 -2.015 3.388 1.00 0.00 N ATOM 510 CA ASP A 36 -13.934 -2.599 3.439 1.00 0.00 C ATOM 511 C ASP A 36 -13.205 -2.308 2.139 1.00 0.00 C ATOM 512 O ASP A 36 -13.835 -2.129 1.089 1.00 0.00 O ATOM 513 CB ASP A 36 -13.999 -4.107 3.688 1.00 0.00 C ATOM 514 CG ASP A 36 -12.638 -4.704 3.982 1.00 0.00 C ATOM 515 OD1 ASP A 36 -11.743 -3.956 4.421 1.00 0.00 O ATOM 516 OD2 ASP A 36 -12.462 -5.927 3.801 1.00 0.00 O ATOM 0 H ASP A 36 -15.892 -2.452 2.712 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.389 -2.151 4.270 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.668 -4.306 4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.427 -4.598 2.814 1.00 0.00 H new ATOM 521 N ASN A 37 -11.889 -2.280 2.206 1.00 0.00 N ATOM 522 CA ASN A 37 -11.069 -1.832 1.089 1.00 0.00 C ATOM 523 C ASN A 37 -10.311 -2.986 0.442 1.00 0.00 C ATOM 524 O ASN A 37 -10.023 -3.998 1.083 1.00 0.00 O ATOM 525 CB ASN A 37 -10.093 -0.735 1.551 1.00 0.00 C ATOM 526 CG ASN A 37 -9.205 -1.145 2.724 1.00 0.00 C ATOM 527 OD1 ASN A 37 -8.818 -2.303 2.870 1.00 0.00 O ATOM 528 ND2 ASN A 37 -8.887 -0.188 3.584 1.00 0.00 N ATOM 0 H ASN A 37 -11.357 -2.564 3.029 1.00 0.00 H new ATOM 0 HA ASN A 37 -11.737 -1.418 0.333 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.459 -0.450 0.711 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.664 0.149 1.833 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.306 -0.403 4.394 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.223 0.763 3.436 1.00 0.00 H new ATOM 535 N ARG A 38 -10.044 -2.851 -0.849 1.00 0.00 N ATOM 536 CA ARG A 38 -9.198 -3.791 -1.568 1.00 0.00 C ATOM 537 C ARG A 38 -7.951 -3.085 -2.077 1.00 0.00 C ATOM 538 O ARG A 38 -8.026 -1.966 -2.576 1.00 0.00 O ATOM 539 CB ARG A 38 -9.938 -4.424 -2.753 1.00 0.00 C ATOM 540 CG ARG A 38 -9.067 -5.394 -3.537 1.00 0.00 C ATOM 541 CD ARG A 38 -9.752 -5.917 -4.786 1.00 0.00 C ATOM 542 NE ARG A 38 -8.888 -6.848 -5.515 1.00 0.00 N ATOM 543 CZ ARG A 38 -9.186 -7.374 -6.703 1.00 0.00 C ATOM 544 NH1 ARG A 38 -10.313 -7.049 -7.319 1.00 0.00 N ATOM 545 NH2 ARG A 38 -8.345 -8.223 -7.283 1.00 0.00 N ATOM 0 H ARG A 38 -10.406 -2.091 -1.425 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.921 -4.583 -0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.821 -4.949 -2.387 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.289 -3.636 -3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.138 -4.897 -3.818 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.798 -6.234 -2.896 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.681 -6.418 -4.512 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.019 -5.082 -5.434 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.001 -7.111 -5.086 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.960 -6.392 -6.884 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.533 -7.456 -8.228 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.471 -8.472 -6.819 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.573 -8.626 -8.192 1.00 0.00 H new ATOM 559 N VAL A 39 -6.809 -3.735 -1.954 1.00 0.00 N ATOM 560 CA VAL A 39 -5.575 -3.207 -2.513 1.00 0.00 C ATOM 561 C VAL A 39 -5.294 -3.879 -3.850 1.00 0.00 C ATOM 562 O VAL A 39 -5.071 -5.090 -3.910 1.00 0.00 O ATOM 563 CB VAL A 39 -4.378 -3.414 -1.561 1.00 0.00 C ATOM 564 CG1 VAL A 39 -3.106 -2.825 -2.157 1.00 0.00 C ATOM 565 CG2 VAL A 39 -4.671 -2.797 -0.202 1.00 0.00 C ATOM 0 H VAL A 39 -6.708 -4.629 -1.473 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.702 -2.134 -2.654 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.224 -4.485 -1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.275 -2.982 -1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.889 -3.314 -3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.243 -1.756 -2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.818 -2.951 0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.852 -1.728 -0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.554 -3.269 0.229 1.00 0.00 H new ATOM 575 N ALA A 40 -5.335 -3.094 -4.916 1.00 0.00 N ATOM 576 CA ALA A 40 -5.155 -3.623 -6.261 1.00 0.00 C ATOM 577 C ALA A 40 -3.976 -2.960 -6.962 1.00 0.00 C ATOM 578 O ALA A 40 -3.544 -3.399 -8.029 1.00 0.00 O ATOM 579 CB ALA A 40 -6.431 -3.440 -7.072 1.00 0.00 C ATOM 0 H ALA A 40 -5.492 -2.087 -4.876 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.938 -4.688 -6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.285 -3.839 -8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.250 -3.971 -6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.673 -2.379 -7.135 1.00 0.00 H new ATOM 585 N ALA A 41 -3.461 -1.897 -6.360 1.00 0.00 N ATOM 586 CA ALA A 41 -2.325 -1.184 -6.914 1.00 0.00 C ATOM 587 C ALA A 41 -1.410 -0.705 -5.796 1.00 0.00 C ATOM 588 O ALA A 41 -1.873 -0.307 -4.728 1.00 0.00 O ATOM 589 CB ALA A 41 -2.794 -0.011 -7.766 1.00 0.00 C ATOM 0 H ALA A 41 -3.815 -1.511 -5.485 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.763 -1.865 -7.553 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.929 0.512 -8.173 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.413 -0.380 -8.584 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.376 0.675 -7.151 1.00 0.00 H new ATOM 595 N LEU A 42 -0.114 -0.751 -6.043 1.00 0.00 N ATOM 596 CA LEU A 42 0.865 -0.352 -5.042 1.00 0.00 C ATOM 597 C LEU A 42 1.523 0.965 -5.432 1.00 0.00 C ATOM 598 O LEU A 42 1.787 1.214 -6.611 1.00 0.00 O ATOM 599 CB LEU A 42 1.938 -1.435 -4.880 1.00 0.00 C ATOM 600 CG LEU A 42 1.428 -2.808 -4.437 1.00 0.00 C ATOM 601 CD1 LEU A 42 2.574 -3.809 -4.394 1.00 0.00 C ATOM 602 CD2 LEU A 42 0.752 -2.714 -3.077 1.00 0.00 C ATOM 0 H LEU A 42 0.288 -1.060 -6.928 1.00 0.00 H new ATOM 0 HA LEU A 42 0.345 -0.221 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.459 -1.550 -5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.673 -1.088 -4.153 1.00 0.00 H new ATOM 0 HG LEU A 42 0.692 -3.154 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.196 -4.781 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.017 -3.898 -5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.330 -3.466 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.396 -3.700 -2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.467 -2.348 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.092 -2.026 -3.137 1.00 0.00 H new ATOM 614 N HIS A 43 1.770 1.813 -4.449 1.00 0.00 N ATOM 615 CA HIS A 43 2.519 3.033 -4.682 1.00 0.00 C ATOM 616 C HIS A 43 3.785 3.027 -3.847 1.00 0.00 C ATOM 617 O HIS A 43 3.733 2.969 -2.620 1.00 0.00 O ATOM 618 CB HIS A 43 1.668 4.273 -4.356 1.00 0.00 C ATOM 619 CG HIS A 43 2.445 5.566 -4.322 1.00 0.00 C ATOM 620 ND1 HIS A 43 3.006 6.145 -5.441 1.00 0.00 N ATOM 621 CD2 HIS A 43 2.760 6.382 -3.285 1.00 0.00 C ATOM 622 CE1 HIS A 43 3.630 7.260 -5.092 1.00 0.00 C ATOM 623 NE2 HIS A 43 3.493 7.423 -3.790 1.00 0.00 N ATOM 0 H HIS A 43 1.464 1.679 -3.485 1.00 0.00 H new ATOM 0 HA HIS A 43 2.787 3.078 -5.738 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.873 4.359 -5.097 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.187 4.126 -3.389 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.484 6.237 -2.251 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.161 7.923 -5.760 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.872 8.199 -3.247 1.00 0.00 H new ATOM 632 N ARG A 44 4.917 3.099 -4.519 1.00 0.00 N ATOM 633 CA ARG A 44 6.191 3.242 -3.843 1.00 0.00 C ATOM 634 C ARG A 44 6.478 4.723 -3.705 1.00 0.00 C ATOM 635 O ARG A 44 6.216 5.481 -4.639 1.00 0.00 O ATOM 636 CB ARG A 44 7.304 2.545 -4.632 1.00 0.00 C ATOM 637 CG ARG A 44 6.963 1.114 -5.018 1.00 0.00 C ATOM 638 CD ARG A 44 8.041 0.490 -5.889 1.00 0.00 C ATOM 639 NE ARG A 44 9.198 0.034 -5.115 1.00 0.00 N ATOM 640 CZ ARG A 44 10.430 -0.073 -5.617 1.00 0.00 C ATOM 641 NH1 ARG A 44 10.693 0.366 -6.844 1.00 0.00 N ATOM 642 NH2 ARG A 44 11.406 -0.604 -4.890 1.00 0.00 N ATOM 0 H ARG A 44 4.980 3.061 -5.536 1.00 0.00 H new ATOM 0 HA ARG A 44 6.150 2.774 -2.860 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.513 3.118 -5.536 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.217 2.546 -4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.833 0.516 -4.116 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.012 1.098 -5.550 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.618 -0.354 -6.435 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.369 1.218 -6.631 1.00 0.00 H new ATOM 0 HE ARG A 44 9.054 -0.216 -4.137 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.952 0.786 -7.405 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.636 0.283 -7.224 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.216 -0.932 -3.943 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.346 -0.684 -5.278 1.00 0.00 H new ATOM 656 N ALA A 45 6.970 5.140 -2.547 1.00 0.00 N ATOM 657 CA ALA A 45 7.221 6.554 -2.287 1.00 0.00 C ATOM 658 C ALA A 45 8.089 7.167 -3.377 1.00 0.00 C ATOM 659 O ALA A 45 7.834 8.276 -3.824 1.00 0.00 O ATOM 660 CB ALA A 45 7.869 6.739 -0.925 1.00 0.00 C ATOM 0 H ALA A 45 7.204 4.521 -1.771 1.00 0.00 H new ATOM 0 HA ALA A 45 6.261 7.071 -2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.049 7.800 -0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.207 6.349 -0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.816 6.201 -0.897 1.00 0.00 H new ATOM 962 N ASP A 63 4.499 12.970 -4.381 1.00 0.00 N ATOM 963 CA ASP A 63 4.122 11.593 -4.695 1.00 0.00 C ATOM 964 C ASP A 63 2.818 11.192 -4.015 1.00 0.00 C ATOM 965 O ASP A 63 2.178 10.226 -4.427 1.00 0.00 O ATOM 966 CB ASP A 63 5.238 10.604 -4.342 1.00 0.00 C ATOM 967 CG ASP A 63 5.348 10.318 -2.860 1.00 0.00 C ATOM 968 OD1 ASP A 63 6.096 11.048 -2.167 1.00 0.00 O ATOM 969 OD2 ASP A 63 4.701 9.355 -2.393 1.00 0.00 O ATOM 0 HA ASP A 63 3.964 11.552 -5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.063 9.668 -4.872 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.189 11.000 -4.699 1.00 0.00 H new ATOM 974 N TYR A 64 2.415 11.927 -2.985 1.00 0.00 N ATOM 975 CA TYR A 64 1.107 11.705 -2.386 1.00 0.00 C ATOM 976 C TYR A 64 0.040 12.151 -3.374 1.00 0.00 C ATOM 977 O TYR A 64 -0.919 11.427 -3.649 1.00 0.00 O ATOM 978 CB TYR A 64 0.963 12.463 -1.060 1.00 0.00 C ATOM 979 CG TYR A 64 -0.370 12.230 -0.378 1.00 0.00 C ATOM 980 CD1 TYR A 64 -0.553 11.144 0.470 1.00 0.00 C ATOM 981 CD2 TYR A 64 -1.450 13.083 -0.590 1.00 0.00 C ATOM 982 CE1 TYR A 64 -1.768 10.916 1.087 1.00 0.00 C ATOM 983 CE2 TYR A 64 -2.669 12.859 0.023 1.00 0.00 C ATOM 984 CZ TYR A 64 -2.822 11.774 0.858 1.00 0.00 C ATOM 985 OH TYR A 64 -4.033 11.548 1.472 1.00 0.00 O ATOM 0 H TYR A 64 2.965 12.670 -2.554 1.00 0.00 H new ATOM 0 HA TYR A 64 0.991 10.644 -2.164 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.765 12.160 -0.387 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.087 13.530 -1.244 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.269 10.467 0.650 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.334 13.934 -1.244 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.891 10.069 1.746 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.496 13.531 -0.152 1.00 0.00 H new ATOM 0 HH TYR A 64 -4.669 12.244 1.206 1.00 0.00 H new ATOM 995 N ARG A 65 0.233 13.347 -3.917 1.00 0.00 N ATOM 996 CA ARG A 65 -0.636 13.873 -4.958 1.00 0.00 C ATOM 997 C ARG A 65 -0.572 13.005 -6.209 1.00 0.00 C ATOM 998 O ARG A 65 -1.577 12.812 -6.894 1.00 0.00 O ATOM 999 CB ARG A 65 -0.250 15.311 -5.291 1.00 0.00 C ATOM 1000 CG ARG A 65 -1.179 16.330 -4.662 1.00 0.00 C ATOM 1001 CD ARG A 65 -2.225 16.823 -5.656 1.00 0.00 C ATOM 1002 NE ARG A 65 -2.827 15.730 -6.419 1.00 0.00 N ATOM 1003 CZ ARG A 65 -4.056 15.252 -6.213 1.00 0.00 C ATOM 1004 NH1 ARG A 65 -4.828 15.761 -5.256 1.00 0.00 N ATOM 1005 NH2 ARG A 65 -4.513 14.265 -6.972 1.00 0.00 N ATOM 0 H ARG A 65 0.991 13.974 -3.649 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.661 13.860 -4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.769 15.497 -4.951 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.254 15.442 -6.373 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.676 15.887 -3.799 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.598 17.176 -4.295 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.006 17.362 -5.120 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.763 17.532 -6.344 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.269 15.304 -7.159 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.482 16.523 -4.673 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.766 15.389 -5.106 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.926 13.875 -7.709 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.452 13.896 -6.819 1.00 0.00 H new ATOM 1019 N ALA A 66 0.616 12.492 -6.505 1.00 0.00 N ATOM 1020 CA ALA A 66 0.807 11.611 -7.649 1.00 0.00 C ATOM 1021 C ALA A 66 0.117 10.271 -7.429 1.00 0.00 C ATOM 1022 O ALA A 66 -0.380 9.657 -8.373 1.00 0.00 O ATOM 1023 CB ALA A 66 2.291 11.408 -7.920 1.00 0.00 C ATOM 0 H ALA A 66 1.463 12.672 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 66 0.354 12.084 -8.520 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.417 10.747 -8.778 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.757 12.370 -8.131 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.763 10.961 -7.045 1.00 0.00 H new ATOM 1029 N ALA A 67 0.088 9.821 -6.180 1.00 0.00 N ATOM 1030 CA ALA A 67 -0.578 8.574 -5.837 1.00 0.00 C ATOM 1031 C ALA A 67 -2.078 8.726 -5.993 1.00 0.00 C ATOM 1032 O ALA A 67 -2.752 7.840 -6.512 1.00 0.00 O ATOM 1033 CB ALA A 67 -0.231 8.153 -4.416 1.00 0.00 C ATOM 0 H ALA A 67 0.518 10.302 -5.390 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.231 7.796 -6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.739 7.218 -4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.846 8.012 -4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.552 8.927 -3.719 1.00 0.00 H new ATOM 1039 N ASP A 68 -2.585 9.871 -5.555 1.00 0.00 N ATOM 1040 CA ASP A 68 -4.004 10.183 -5.675 1.00 0.00 C ATOM 1041 C ASP A 68 -4.378 10.318 -7.142 1.00 0.00 C ATOM 1042 O ASP A 68 -5.403 9.800 -7.585 1.00 0.00 O ATOM 1043 CB ASP A 68 -4.326 11.481 -4.929 1.00 0.00 C ATOM 1044 CG ASP A 68 -5.804 11.829 -4.960 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -6.232 12.541 -5.894 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -6.537 11.411 -4.042 1.00 0.00 O ATOM 0 H ASP A 68 -2.031 10.603 -5.111 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.583 9.373 -5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.001 11.389 -3.893 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.756 12.299 -5.370 1.00 0.00 H new ATOM 1051 N ALA A 69 -3.521 11.001 -7.891 1.00 0.00 N ATOM 1052 CA ALA A 69 -3.725 11.182 -9.320 1.00 0.00 C ATOM 1053 C ALA A 69 -3.748 9.839 -10.039 1.00 0.00 C ATOM 1054 O ALA A 69 -4.706 9.526 -10.735 1.00 0.00 O ATOM 1055 CB ALA A 69 -2.642 12.078 -9.903 1.00 0.00 C ATOM 0 H ALA A 69 -2.675 11.440 -7.529 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.692 11.664 -9.467 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.810 12.203 -10.973 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.674 13.052 -9.415 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.666 11.622 -9.740 1.00 0.00 H new ATOM 1061 N ALA A 70 -2.707 9.037 -9.840 1.00 0.00 N ATOM 1062 CA ALA A 70 -2.610 7.733 -10.495 1.00 0.00 C ATOM 1063 C ALA A 70 -3.777 6.834 -10.103 1.00 0.00 C ATOM 1064 O ALA A 70 -4.279 6.056 -10.917 1.00 0.00 O ATOM 1065 CB ALA A 70 -1.291 7.066 -10.145 1.00 0.00 C ATOM 0 H ALA A 70 -1.920 9.264 -9.233 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.652 7.891 -11.573 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.231 6.096 -10.639 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.466 7.695 -10.479 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.228 6.928 -9.066 1.00 0.00 H new ATOM 1071 N ALA A 71 -4.208 6.945 -8.853 1.00 0.00 N ATOM 1072 CA ALA A 71 -5.368 6.209 -8.386 1.00 0.00 C ATOM 1073 C ALA A 71 -6.607 6.666 -9.142 1.00 0.00 C ATOM 1074 O ALA A 71 -7.326 5.852 -9.714 1.00 0.00 O ATOM 1075 CB ALA A 71 -5.555 6.397 -6.886 1.00 0.00 C ATOM 0 H ALA A 71 -3.770 7.538 -8.148 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.211 5.147 -8.575 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.430 5.837 -6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.672 6.033 -6.361 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.697 7.455 -6.667 1.00 0.00 H new ATOM 1081 N GLN A 72 -6.818 7.978 -9.172 1.00 0.00 N ATOM 1082 CA GLN A 72 -7.970 8.566 -9.845 1.00 0.00 C ATOM 1083 C GLN A 72 -7.968 8.195 -11.328 1.00 0.00 C ATOM 1084 O GLN A 72 -9.012 7.870 -11.899 1.00 0.00 O ATOM 1085 CB GLN A 72 -7.951 10.088 -9.684 1.00 0.00 C ATOM 1086 CG GLN A 72 -9.301 10.747 -9.898 1.00 0.00 C ATOM 1087 CD GLN A 72 -10.336 10.249 -8.910 1.00 0.00 C ATOM 1088 OE1 GLN A 72 -11.056 9.287 -9.181 1.00 0.00 O ATOM 1089 NE2 GLN A 72 -10.401 10.885 -7.749 1.00 0.00 N ATOM 0 H GLN A 72 -6.199 8.660 -8.733 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.878 8.172 -9.389 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.593 10.333 -8.684 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.236 10.509 -10.391 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -9.197 11.828 -9.801 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.644 10.550 -10.914 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -9.785 11.678 -7.566 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.067 10.582 -7.038 1.00 0.00 H new ATOM 1098 N GLU A 73 -6.786 8.245 -11.934 1.00 0.00 N ATOM 1099 CA GLU A 73 -6.590 7.861 -13.322 1.00 0.00 C ATOM 1100 C GLU A 73 -7.068 6.437 -13.590 1.00 0.00 C ATOM 1101 O GLU A 73 -7.672 6.152 -14.626 1.00 0.00 O ATOM 1102 CB GLU A 73 -5.119 7.996 -13.660 1.00 0.00 C ATOM 1103 CG GLU A 73 -4.664 9.436 -13.709 1.00 0.00 C ATOM 1104 CD GLU A 73 -5.363 10.239 -14.786 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -5.353 9.797 -15.953 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -5.932 11.306 -14.470 1.00 0.00 O ATOM 0 H GLU A 73 -5.933 8.556 -11.470 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.184 8.520 -13.955 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.529 7.457 -12.919 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.927 7.525 -14.624 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.845 9.902 -12.740 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.588 9.466 -13.881 1.00 0.00 H new ATOM 1113 N GLN A 74 -6.797 5.552 -12.646 1.00 0.00 N ATOM 1114 CA GLN A 74 -7.169 4.151 -12.768 1.00 0.00 C ATOM 1115 C GLN A 74 -8.587 3.884 -12.258 1.00 0.00 C ATOM 1116 O GLN A 74 -9.106 2.778 -12.412 1.00 0.00 O ATOM 1117 CB GLN A 74 -6.171 3.289 -11.998 1.00 0.00 C ATOM 1118 CG GLN A 74 -4.823 3.149 -12.691 1.00 0.00 C ATOM 1119 CD GLN A 74 -3.767 2.522 -11.800 1.00 0.00 C ATOM 1120 OE1 GLN A 74 -3.796 2.855 -10.519 1.00 0.00 O flip ATOM 1121 NE2 GLN A 74 -2.904 1.772 -12.266 1.00 0.00 N flip ATOM 0 H GLN A 74 -6.315 5.782 -11.777 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.149 3.893 -13.827 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -6.018 3.721 -11.009 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -6.599 2.297 -11.850 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.942 2.542 -13.588 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.482 4.132 -13.015 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.914 1.538 -13.259 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.181 1.387 -11.658 1.00 0.00 H new ATOM 1130 N GLY A 75 -9.209 4.892 -11.657 1.00 0.00 N ATOM 1131 CA GLY A 75 -10.543 4.715 -11.106 1.00 0.00 C ATOM 1132 C GLY A 75 -10.506 4.122 -9.712 1.00 0.00 C ATOM 1133 O GLY A 75 -11.438 3.438 -9.286 1.00 0.00 O ATOM 0 H GLY A 75 -8.816 5.826 -11.541 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.054 5.677 -11.077 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.123 4.065 -11.761 1.00 0.00 H new ATOM 1137 N LEU A 76 -9.415 4.380 -9.009 1.00 0.00 N ATOM 1138 CA LEU A 76 -9.214 3.878 -7.662 1.00 0.00 C ATOM 1139 C LEU A 76 -9.042 5.055 -6.708 1.00 0.00 C ATOM 1140 O LEU A 76 -9.215 6.208 -7.107 1.00 0.00 O ATOM 1141 CB LEU A 76 -7.954 3.006 -7.612 1.00 0.00 C ATOM 1142 CG LEU A 76 -7.833 1.936 -8.702 1.00 0.00 C ATOM 1143 CD1 LEU A 76 -6.506 1.202 -8.579 1.00 0.00 C ATOM 1144 CD2 LEU A 76 -8.986 0.951 -8.627 1.00 0.00 C ATOM 0 H LEU A 76 -8.642 4.946 -9.359 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.078 3.282 -7.369 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.083 3.658 -7.673 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.916 2.513 -6.641 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.872 2.434 -9.671 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.435 0.445 -9.360 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.686 1.912 -8.686 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.445 0.722 -7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.876 0.202 -9.411 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.983 0.460 -7.654 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.928 1.483 -8.762 1.00 0.00 H new ATOM 1156 N ASP A 77 -8.709 4.765 -5.457 1.00 0.00 N ATOM 1157 CA ASP A 77 -8.305 5.796 -4.513 1.00 0.00 C ATOM 1158 C ASP A 77 -7.373 5.207 -3.460 1.00 0.00 C ATOM 1159 O ASP A 77 -7.083 4.006 -3.479 1.00 0.00 O ATOM 1160 CB ASP A 77 -9.514 6.486 -3.861 1.00 0.00 C ATOM 1161 CG ASP A 77 -10.448 5.548 -3.122 1.00 0.00 C ATOM 1162 OD1 ASP A 77 -10.162 5.210 -1.954 1.00 0.00 O ATOM 1163 OD2 ASP A 77 -11.506 5.193 -3.689 1.00 0.00 O ATOM 0 H ASP A 77 -8.711 3.820 -5.072 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.766 6.564 -5.067 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.153 7.243 -3.164 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.079 7.008 -4.633 1.00 0.00 H new ATOM 1168 N VAL A 78 -6.883 6.054 -2.562 1.00 0.00 N ATOM 1169 CA VAL A 78 -5.939 5.623 -1.540 1.00 0.00 C ATOM 1170 C VAL A 78 -6.675 4.917 -0.409 1.00 0.00 C ATOM 1171 O VAL A 78 -7.419 5.543 0.351 1.00 0.00 O ATOM 1172 CB VAL A 78 -5.131 6.811 -0.965 1.00 0.00 C ATOM 1173 CG1 VAL A 78 -4.041 6.318 -0.026 1.00 0.00 C ATOM 1174 CG2 VAL A 78 -4.533 7.652 -2.087 1.00 0.00 C ATOM 0 H VAL A 78 -7.125 7.044 -2.522 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.240 4.934 -2.014 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.814 7.440 -0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.486 7.170 0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.493 5.768 0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.362 5.662 -0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.969 8.481 -1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.868 7.034 -2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.334 8.043 -2.715 1.00 0.00 H new ATOM 1184 N VAL A 79 -6.473 3.610 -0.300 1.00 0.00 N ATOM 1185 CA VAL A 79 -7.195 2.812 0.680 1.00 0.00 C ATOM 1186 C VAL A 79 -6.354 2.548 1.927 1.00 0.00 C ATOM 1187 O VAL A 79 -6.895 2.322 3.010 1.00 0.00 O ATOM 1188 CB VAL A 79 -7.671 1.468 0.080 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -8.680 1.715 -1.036 1.00 0.00 C ATOM 1190 CG2 VAL A 79 -6.492 0.651 -0.433 1.00 0.00 C ATOM 0 H VAL A 79 -5.817 3.082 -0.876 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.069 3.396 0.969 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.158 0.895 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.006 0.761 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.541 2.251 -0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.215 2.310 -1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.854 -0.289 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.969 1.213 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.808 0.443 0.390 1.00 0.00 H new ATOM 1200 N GLY A 80 -5.033 2.596 1.790 1.00 0.00 N ATOM 1201 CA GLY A 80 -4.178 2.303 2.922 1.00 0.00 C ATOM 1202 C GLY A 80 -2.744 2.734 2.713 1.00 0.00 C ATOM 1203 O GLY A 80 -2.427 3.416 1.737 1.00 0.00 O ATOM 0 H GLY A 80 -4.545 2.830 0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.575 2.800 3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.203 1.232 3.120 1.00 0.00 H new ATOM 1207 N VAL A 81 -1.883 2.332 3.639 1.00 0.00 N ATOM 1208 CA VAL A 81 -0.460 2.652 3.592 1.00 0.00 C ATOM 1209 C VAL A 81 0.327 1.404 3.978 1.00 0.00 C ATOM 1210 O VAL A 81 -0.221 0.501 4.611 1.00 0.00 O ATOM 1211 CB VAL A 81 -0.095 3.789 4.585 1.00 0.00 C ATOM 1212 CG1 VAL A 81 1.281 4.369 4.286 1.00 0.00 C ATOM 1213 CG2 VAL A 81 -1.148 4.890 4.588 1.00 0.00 C ATOM 0 H VAL A 81 -2.152 1.772 4.448 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.216 2.985 2.583 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.068 3.346 5.580 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.504 5.162 5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.033 3.584 4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.292 4.777 3.275 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.859 5.668 5.294 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.229 5.319 3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.111 4.472 4.883 1.00 0.00 H new ATOM 1223 N TYR A 82 1.594 1.342 3.613 1.00 0.00 N ATOM 1224 CA TYR A 82 2.421 0.218 4.017 1.00 0.00 C ATOM 1225 C TYR A 82 3.809 0.698 4.415 1.00 0.00 C ATOM 1226 O TYR A 82 4.410 1.541 3.746 1.00 0.00 O ATOM 1227 CB TYR A 82 2.492 -0.862 2.921 1.00 0.00 C ATOM 1228 CG TYR A 82 3.369 -0.535 1.729 1.00 0.00 C ATOM 1229 CD1 TYR A 82 2.911 0.276 0.696 1.00 0.00 C ATOM 1230 CD2 TYR A 82 4.652 -1.062 1.628 1.00 0.00 C ATOM 1231 CE1 TYR A 82 3.707 0.551 -0.400 1.00 0.00 C ATOM 1232 CE2 TYR A 82 5.454 -0.789 0.539 1.00 0.00 C ATOM 1233 CZ TYR A 82 4.978 0.018 -0.473 1.00 0.00 C ATOM 1234 OH TYR A 82 5.778 0.294 -1.561 1.00 0.00 O ATOM 0 H TYR A 82 2.068 2.045 3.046 1.00 0.00 H new ATOM 0 HA TYR A 82 1.956 -0.246 4.887 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.853 -1.787 3.371 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.481 -1.056 2.562 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.918 0.697 0.751 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.028 -1.697 2.417 1.00 0.00 H new ATOM 0 HE1 TYR A 82 3.336 1.180 -1.196 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.449 -1.205 0.479 1.00 0.00 H new ATOM 0 HH TYR A 82 6.210 1.165 -1.437 1.00 0.00 H new ATOM 1244 N HIS A 83 4.310 0.159 5.514 1.00 0.00 N ATOM 1245 CA HIS A 83 5.592 0.575 6.055 1.00 0.00 C ATOM 1246 C HIS A 83 6.459 -0.652 6.298 1.00 0.00 C ATOM 1247 O HIS A 83 5.978 -1.675 6.783 1.00 0.00 O ATOM 1248 CB HIS A 83 5.382 1.365 7.355 1.00 0.00 C ATOM 1249 CG HIS A 83 6.567 2.185 7.782 1.00 0.00 C ATOM 1250 ND1 HIS A 83 6.928 2.366 9.102 1.00 0.00 N ATOM 1251 CD2 HIS A 83 7.458 2.901 7.055 1.00 0.00 C ATOM 1252 CE1 HIS A 83 7.983 3.155 9.163 1.00 0.00 C ATOM 1253 NE2 HIS A 83 8.328 3.496 7.936 1.00 0.00 N ATOM 0 H HIS A 83 3.844 -0.572 6.052 1.00 0.00 H new ATOM 0 HA HIS A 83 6.098 1.226 5.342 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.524 2.026 7.230 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.132 0.667 8.154 1.00 0.00 H new ATOM 0 HD1 HIS A 83 6.453 1.954 9.905 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.480 2.988 5.979 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.482 3.470 10.068 1.00 0.00 H new ATOM 1262 N SER A 84 7.733 -0.551 5.963 1.00 0.00 N ATOM 1263 CA SER A 84 8.631 -1.690 6.043 1.00 0.00 C ATOM 1264 C SER A 84 9.560 -1.560 7.245 1.00 0.00 C ATOM 1265 O SER A 84 9.795 -0.460 7.747 1.00 0.00 O ATOM 1266 CB SER A 84 9.452 -1.783 4.755 1.00 0.00 C ATOM 1267 OG SER A 84 8.624 -1.629 3.614 1.00 0.00 O ATOM 0 H SER A 84 8.170 0.309 5.632 1.00 0.00 H new ATOM 0 HA SER A 84 8.039 -2.597 6.165 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.224 -1.014 4.755 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.961 -2.746 4.712 1.00 0.00 H new ATOM 0 HG SER A 84 9.170 -1.690 2.803 1.00 0.00 H new ATOM 1273 N HIS A 85 10.059 -2.693 7.721 1.00 0.00 N ATOM 1274 CA HIS A 85 11.034 -2.705 8.803 1.00 0.00 C ATOM 1275 C HIS A 85 12.192 -3.618 8.431 1.00 0.00 C ATOM 1276 O HIS A 85 11.977 -4.662 7.808 1.00 0.00 O ATOM 1277 CB HIS A 85 10.395 -3.181 10.117 1.00 0.00 C ATOM 1278 CG HIS A 85 9.289 -2.301 10.619 1.00 0.00 C ATOM 1279 ND1 HIS A 85 7.958 -2.647 10.531 1.00 0.00 N ATOM 1280 CD2 HIS A 85 9.319 -1.093 11.233 1.00 0.00 C ATOM 1281 CE1 HIS A 85 7.219 -1.693 11.067 1.00 0.00 C ATOM 1282 NE2 HIS A 85 8.019 -0.741 11.501 1.00 0.00 N ATOM 0 H HIS A 85 9.804 -3.618 7.374 1.00 0.00 H new ATOM 0 HA HIS A 85 11.399 -1.689 8.952 1.00 0.00 H new ATOM 0 HB2 HIS A 85 10.005 -4.189 9.974 1.00 0.00 H new ATOM 0 HB3 HIS A 85 11.169 -3.244 10.882 1.00 0.00 H new ATOM 0 HD2 HIS A 85 10.201 -0.515 11.468 1.00 0.00 H new ATOM 0 HE1 HIS A 85 6.141 -1.693 11.138 1.00 0.00 H new ATOM 0 HE2 HIS A 85 7.721 0.119 11.962 1.00 0.00 H new ATOM 1291 N PRO A 86 13.429 -3.249 8.809 1.00 0.00 N ATOM 1292 CA PRO A 86 14.630 -4.020 8.473 1.00 0.00 C ATOM 1293 C PRO A 86 14.841 -5.218 9.386 1.00 0.00 C ATOM 1294 O PRO A 86 15.617 -6.123 9.078 1.00 0.00 O ATOM 1295 CB PRO A 86 15.777 -3.010 8.644 1.00 0.00 C ATOM 1296 CG PRO A 86 15.138 -1.707 9.008 1.00 0.00 C ATOM 1297 CD PRO A 86 13.776 -2.036 9.552 1.00 0.00 C ATOM 0 HA PRO A 86 14.560 -4.441 7.470 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.468 -3.335 9.422 1.00 0.00 H new ATOM 0 HB3 PRO A 86 16.353 -2.917 7.724 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.734 -1.177 9.750 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.061 -1.056 8.137 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.799 -2.210 10.628 1.00 0.00 H new ATOM 0 HD3 PRO A 86 13.062 -1.232 9.374 1.00 0.00 H new ATOM 1305 N ASP A 87 14.135 -5.214 10.501 1.00 0.00 N ATOM 1306 CA ASP A 87 14.226 -6.287 11.489 1.00 0.00 C ATOM 1307 C ASP A 87 13.172 -6.097 12.569 1.00 0.00 C ATOM 1308 O ASP A 87 13.311 -5.225 13.418 1.00 0.00 O ATOM 1309 CB ASP A 87 15.619 -6.328 12.132 1.00 0.00 C ATOM 1310 CG ASP A 87 15.750 -7.432 13.164 1.00 0.00 C ATOM 1311 OD1 ASP A 87 15.981 -8.593 12.766 1.00 0.00 O ATOM 1312 OD2 ASP A 87 15.630 -7.139 14.379 1.00 0.00 O ATOM 0 H ASP A 87 13.482 -4.472 10.752 1.00 0.00 H new ATOM 0 HA ASP A 87 14.053 -7.232 10.975 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.370 -6.470 11.355 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.826 -5.368 12.604 1.00 0.00 H new ATOM 1317 N HIS A 88 12.101 -6.880 12.484 1.00 0.00 N ATOM 1318 CA HIS A 88 11.016 -6.866 13.470 1.00 0.00 C ATOM 1319 C HIS A 88 10.005 -7.945 13.099 1.00 0.00 C ATOM 1320 O HIS A 88 9.861 -8.261 11.918 1.00 0.00 O ATOM 1321 CB HIS A 88 10.336 -5.493 13.527 1.00 0.00 C ATOM 1322 CG HIS A 88 10.532 -4.787 14.838 1.00 0.00 C ATOM 1323 ND1 HIS A 88 11.738 -4.251 15.237 1.00 0.00 N ATOM 1324 CD2 HIS A 88 9.664 -4.531 15.841 1.00 0.00 C ATOM 1325 CE1 HIS A 88 11.602 -3.693 16.424 1.00 0.00 C ATOM 1326 NE2 HIS A 88 10.354 -3.848 16.812 1.00 0.00 N ATOM 0 H HIS A 88 11.957 -7.547 11.726 1.00 0.00 H new ATOM 0 HA HIS A 88 11.429 -7.066 14.459 1.00 0.00 H new ATOM 0 HB2 HIS A 88 10.727 -4.868 12.724 1.00 0.00 H new ATOM 0 HB3 HIS A 88 9.268 -5.616 13.345 1.00 0.00 H new ATOM 0 HD1 HIS A 88 12.603 -4.281 14.697 1.00 0.00 H new ATOM 0 HD2 HIS A 88 8.622 -4.811 15.873 1.00 0.00 H new ATOM 0 HE1 HIS A 88 12.381 -3.194 16.982 1.00 0.00 H new ATOM 1335 N PRO A 89 9.306 -8.542 14.080 1.00 0.00 N ATOM 1336 CA PRO A 89 8.339 -9.618 13.820 1.00 0.00 C ATOM 1337 C PRO A 89 7.020 -9.111 13.227 1.00 0.00 C ATOM 1338 O PRO A 89 5.952 -9.281 13.826 1.00 0.00 O ATOM 1339 CB PRO A 89 8.089 -10.229 15.209 1.00 0.00 C ATOM 1340 CG PRO A 89 9.072 -9.579 16.130 1.00 0.00 C ATOM 1341 CD PRO A 89 9.418 -8.259 15.513 1.00 0.00 C ATOM 0 HA PRO A 89 8.726 -10.324 13.085 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.066 -10.045 15.538 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.228 -11.310 15.190 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.643 -9.443 17.123 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.962 -10.198 16.249 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.732 -7.472 15.826 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.422 -7.934 15.786 1.00 0.00 H new ATOM 1349 N ALA A 90 7.119 -8.511 12.036 1.00 0.00 N ATOM 1350 CA ALA A 90 5.974 -8.021 11.255 1.00 0.00 C ATOM 1351 C ALA A 90 4.978 -7.215 12.092 1.00 0.00 C ATOM 1352 O ALA A 90 3.789 -7.171 11.786 1.00 0.00 O ATOM 1353 CB ALA A 90 5.287 -9.187 10.562 1.00 0.00 C ATOM 0 H ALA A 90 8.015 -8.348 11.577 1.00 0.00 H new ATOM 0 HA ALA A 90 6.363 -7.331 10.506 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.439 -8.819 9.985 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.993 -9.681 9.895 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.935 -9.898 11.309 1.00 0.00 H new ATOM 1359 N ARG A 91 5.479 -6.545 13.119 1.00 0.00 N ATOM 1360 CA ARG A 91 4.636 -5.741 13.986 1.00 0.00 C ATOM 1361 C ARG A 91 5.146 -4.305 14.014 1.00 0.00 C ATOM 1362 O ARG A 91 6.309 -4.049 13.676 1.00 0.00 O ATOM 1363 CB ARG A 91 4.614 -6.330 15.401 1.00 0.00 C ATOM 1364 CG ARG A 91 5.943 -6.230 16.130 1.00 0.00 C ATOM 1365 CD ARG A 91 5.871 -6.860 17.510 1.00 0.00 C ATOM 1366 NE ARG A 91 5.688 -8.308 17.442 1.00 0.00 N ATOM 1367 CZ ARG A 91 5.788 -9.118 18.497 1.00 0.00 C ATOM 1368 NH1 ARG A 91 6.026 -8.618 19.704 1.00 0.00 N ATOM 1369 NH2 ARG A 91 5.644 -10.428 18.348 1.00 0.00 N ATOM 0 H ARG A 91 6.467 -6.543 13.371 1.00 0.00 H new ATOM 0 HA ARG A 91 3.618 -5.746 13.597 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.851 -5.817 15.986 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.320 -7.378 15.343 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.718 -6.723 15.544 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.231 -5.183 16.222 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.785 -6.636 18.059 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.047 -6.416 18.069 1.00 0.00 H new ATOM 0 HE ARG A 91 5.471 -8.723 16.536 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.133 -7.611 19.827 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.102 -9.241 20.508 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.456 -10.819 17.425 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.721 -11.045 19.157 1.00 0.00 H new ATOM 1383 N PRO A 92 4.285 -3.351 14.391 1.00 0.00 N ATOM 1384 CA PRO A 92 4.661 -1.939 14.482 1.00 0.00 C ATOM 1385 C PRO A 92 5.602 -1.663 15.649 1.00 0.00 C ATOM 1386 O PRO A 92 5.640 -2.413 16.624 1.00 0.00 O ATOM 1387 CB PRO A 92 3.323 -1.226 14.690 1.00 0.00 C ATOM 1388 CG PRO A 92 2.451 -2.246 15.333 1.00 0.00 C ATOM 1389 CD PRO A 92 2.874 -3.570 14.762 1.00 0.00 C ATOM 0 HA PRO A 92 5.203 -1.604 13.597 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.437 -0.346 15.323 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.904 -0.886 13.743 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.568 -2.233 16.417 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.400 -2.049 15.124 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.771 -4.373 15.492 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.270 -3.846 13.898 1.00 0.00 H new ATOM 1397 N SER A 93 6.377 -0.603 15.528 1.00 0.00 N ATOM 1398 CA SER A 93 7.261 -0.176 16.595 1.00 0.00 C ATOM 1399 C SER A 93 6.726 1.117 17.205 1.00 0.00 C ATOM 1400 O SER A 93 5.704 1.638 16.751 1.00 0.00 O ATOM 1401 CB SER A 93 8.668 0.023 16.032 1.00 0.00 C ATOM 1402 OG SER A 93 9.032 -1.076 15.208 1.00 0.00 O ATOM 0 H SER A 93 6.412 -0.017 14.694 1.00 0.00 H new ATOM 0 HA SER A 93 7.305 -0.934 17.377 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.708 0.947 15.455 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.382 0.125 16.849 1.00 0.00 H new ATOM 0 HG SER A 93 9.393 -1.797 15.765 1.00 0.00 H new ATOM 1408 N ALA A 94 7.408 1.631 18.225 1.00 0.00 N ATOM 1409 CA ALA A 94 6.988 2.867 18.882 1.00 0.00 C ATOM 1410 C ALA A 94 6.839 4.001 17.871 1.00 0.00 C ATOM 1411 O ALA A 94 5.862 4.748 17.896 1.00 0.00 O ATOM 1412 CB ALA A 94 7.981 3.253 19.968 1.00 0.00 C ATOM 0 H ALA A 94 8.253 1.212 18.615 1.00 0.00 H new ATOM 0 HA ALA A 94 6.015 2.693 19.342 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.655 4.175 20.448 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.036 2.457 20.711 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.965 3.403 19.524 1.00 0.00 H new ATOM 1418 N THR A 95 7.805 4.104 16.968 1.00 0.00 N ATOM 1419 CA THR A 95 7.801 5.136 15.943 1.00 0.00 C ATOM 1420 C THR A 95 6.590 5.007 15.016 1.00 0.00 C ATOM 1421 O THR A 95 5.996 6.009 14.629 1.00 0.00 O ATOM 1422 CB THR A 95 9.102 5.075 15.119 1.00 0.00 C ATOM 1423 OG1 THR A 95 10.227 5.148 16.004 1.00 0.00 O ATOM 1424 CG2 THR A 95 9.175 6.209 14.108 1.00 0.00 C ATOM 0 H THR A 95 8.609 3.478 16.926 1.00 0.00 H new ATOM 0 HA THR A 95 7.737 6.100 16.447 1.00 0.00 H new ATOM 0 HB THR A 95 9.115 4.133 14.570 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.056 5.108 15.483 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.105 6.135 13.545 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.330 6.141 13.423 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.142 7.165 14.631 1.00 0.00 H new ATOM 1432 N ASP A 96 6.212 3.774 14.681 1.00 0.00 N ATOM 1433 CA ASP A 96 5.064 3.542 13.800 1.00 0.00 C ATOM 1434 C ASP A 96 3.789 4.071 14.442 1.00 0.00 C ATOM 1435 O ASP A 96 2.952 4.674 13.776 1.00 0.00 O ATOM 1436 CB ASP A 96 4.893 2.049 13.478 1.00 0.00 C ATOM 1437 CG ASP A 96 6.045 1.464 12.684 1.00 0.00 C ATOM 1438 OD1 ASP A 96 6.057 1.596 11.441 1.00 0.00 O ATOM 1439 OD2 ASP A 96 6.936 0.842 13.298 1.00 0.00 O ATOM 0 H ASP A 96 6.678 2.926 15.002 1.00 0.00 H new ATOM 0 HA ASP A 96 5.254 4.075 12.868 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.787 1.495 14.410 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.969 1.910 12.917 1.00 0.00 H new ATOM 1444 N LEU A 97 3.658 3.846 15.743 1.00 0.00 N ATOM 1445 CA LEU A 97 2.510 4.331 16.501 1.00 0.00 C ATOM 1446 C LEU A 97 2.555 5.855 16.596 1.00 0.00 C ATOM 1447 O LEU A 97 1.548 6.537 16.395 1.00 0.00 O ATOM 1448 CB LEU A 97 2.510 3.684 17.900 1.00 0.00 C ATOM 1449 CG LEU A 97 1.276 3.935 18.789 1.00 0.00 C ATOM 1450 CD1 LEU A 97 1.317 5.315 19.430 1.00 0.00 C ATOM 1451 CD2 LEU A 97 -0.007 3.759 17.991 1.00 0.00 C ATOM 0 H LEU A 97 4.337 3.327 16.299 1.00 0.00 H new ATOM 0 HA LEU A 97 1.587 4.054 15.992 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.623 2.607 17.775 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.391 4.037 18.436 1.00 0.00 H new ATOM 0 HG LEU A 97 1.295 3.196 19.590 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.431 5.455 20.049 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.210 5.402 20.049 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.340 6.077 18.651 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.865 3.941 18.638 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.020 4.467 17.163 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.056 2.743 17.600 1.00 0.00 H new ATOM 1463 N GLU A 98 3.736 6.381 16.882 1.00 0.00 N ATOM 1464 CA GLU A 98 3.926 7.816 17.038 1.00 0.00 C ATOM 1465 C GLU A 98 3.648 8.576 15.743 1.00 0.00 C ATOM 1466 O GLU A 98 3.161 9.707 15.771 1.00 0.00 O ATOM 1467 CB GLU A 98 5.341 8.110 17.530 1.00 0.00 C ATOM 1468 CG GLU A 98 5.528 7.821 19.008 1.00 0.00 C ATOM 1469 CD GLU A 98 6.896 8.217 19.510 1.00 0.00 C ATOM 1470 OE1 GLU A 98 7.164 9.433 19.624 1.00 0.00 O ATOM 1471 OE2 GLU A 98 7.707 7.318 19.809 1.00 0.00 O ATOM 0 H GLU A 98 4.585 5.830 17.012 1.00 0.00 H new ATOM 0 HA GLU A 98 3.206 8.162 17.780 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.050 7.513 16.956 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.576 9.157 17.338 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.768 8.355 19.578 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.373 6.757 19.189 1.00 0.00 H new ATOM 1478 N GLU A 99 3.946 7.953 14.611 1.00 0.00 N ATOM 1479 CA GLU A 99 3.720 8.581 13.316 1.00 0.00 C ATOM 1480 C GLU A 99 2.313 8.290 12.793 1.00 0.00 C ATOM 1481 O GLU A 99 1.924 8.783 11.732 1.00 0.00 O ATOM 1482 CB GLU A 99 4.768 8.114 12.302 1.00 0.00 C ATOM 1483 CG GLU A 99 6.168 8.634 12.585 1.00 0.00 C ATOM 1484 CD GLU A 99 6.234 10.150 12.616 1.00 0.00 C ATOM 1485 OE1 GLU A 99 5.713 10.793 11.679 1.00 0.00 O ATOM 1486 OE2 GLU A 99 6.817 10.711 13.570 1.00 0.00 O ATOM 0 H GLU A 99 4.344 7.015 14.563 1.00 0.00 H new ATOM 0 HA GLU A 99 3.814 9.659 13.450 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.790 7.024 12.292 1.00 0.00 H new ATOM 0 HB3 GLU A 99 4.465 8.436 11.306 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.511 8.240 13.541 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.851 8.260 11.822 1.00 0.00 H new ATOM 1493 N ALA A 100 1.549 7.498 13.537 1.00 0.00 N ATOM 1494 CA ALA A 100 0.186 7.171 13.139 1.00 0.00 C ATOM 1495 C ALA A 100 -0.800 8.184 13.710 1.00 0.00 C ATOM 1496 O ALA A 100 -1.449 7.944 14.730 1.00 0.00 O ATOM 1497 CB ALA A 100 -0.183 5.758 13.570 1.00 0.00 C ATOM 0 H ALA A 100 1.849 7.073 14.414 1.00 0.00 H new ATOM 0 HA ALA A 100 0.132 7.217 12.051 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.205 5.539 13.261 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.498 5.046 13.104 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.106 5.677 14.654 1.00 0.00 H new ATOM 1503 N THR A 101 -0.876 9.338 13.069 1.00 0.00 N ATOM 1504 CA THR A 101 -1.771 10.402 13.501 1.00 0.00 C ATOM 1505 C THR A 101 -2.921 10.576 12.504 1.00 0.00 C ATOM 1506 O THR A 101 -3.809 11.413 12.685 1.00 0.00 O ATOM 1507 CB THR A 101 -0.987 11.720 13.660 1.00 0.00 C ATOM 1508 OG1 THR A 101 0.201 11.476 14.426 1.00 0.00 O ATOM 1509 CG2 THR A 101 -1.815 12.792 14.357 1.00 0.00 C ATOM 0 H THR A 101 -0.325 9.564 12.241 1.00 0.00 H new ATOM 0 HA THR A 101 -2.197 10.130 14.467 1.00 0.00 H new ATOM 0 HB THR A 101 -0.736 12.081 12.663 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.702 12.312 14.527 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.226 13.704 14.449 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.712 12.997 13.772 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.101 12.443 15.349 1.00 0.00 H new ATOM 1517 N PHE A 102 -2.914 9.753 11.466 1.00 0.00 N ATOM 1518 CA PHE A 102 -3.928 9.831 10.422 1.00 0.00 C ATOM 1519 C PHE A 102 -4.724 8.525 10.324 1.00 0.00 C ATOM 1520 O PHE A 102 -4.373 7.617 9.570 1.00 0.00 O ATOM 1521 CB PHE A 102 -3.296 10.209 9.067 1.00 0.00 C ATOM 1522 CG PHE A 102 -2.115 9.362 8.655 1.00 0.00 C ATOM 1523 CD1 PHE A 102 -0.870 9.556 9.233 1.00 0.00 C ATOM 1524 CD2 PHE A 102 -2.252 8.386 7.683 1.00 0.00 C ATOM 1525 CE1 PHE A 102 0.214 8.788 8.850 1.00 0.00 C ATOM 1526 CE2 PHE A 102 -1.174 7.614 7.296 1.00 0.00 C ATOM 1527 CZ PHE A 102 0.062 7.815 7.881 1.00 0.00 C ATOM 0 H PHE A 102 -2.217 9.022 11.323 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.629 10.621 10.693 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -4.061 10.139 8.294 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -2.980 11.251 9.109 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.745 10.315 9.991 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -3.215 8.226 7.221 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.179 8.949 9.308 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.297 6.855 6.538 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.907 7.213 7.581 1.00 0.00 H new ATOM 1537 N PRO A 103 -5.792 8.398 11.129 1.00 0.00 N ATOM 1538 CA PRO A 103 -6.643 7.209 11.114 1.00 0.00 C ATOM 1539 C PRO A 103 -7.539 7.167 9.877 1.00 0.00 C ATOM 1540 O PRO A 103 -7.819 8.202 9.269 1.00 0.00 O ATOM 1541 CB PRO A 103 -7.480 7.355 12.386 1.00 0.00 C ATOM 1542 CG PRO A 103 -7.542 8.823 12.638 1.00 0.00 C ATOM 1543 CD PRO A 103 -6.262 9.405 12.100 1.00 0.00 C ATOM 0 HA PRO A 103 -6.065 6.286 11.080 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -8.477 6.934 12.253 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -7.021 6.829 13.223 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.407 9.265 12.143 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.644 9.029 13.703 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.432 10.370 11.623 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -5.532 9.566 12.893 1.00 0.00 H new ATOM 1551 N GLY A 104 -7.980 5.973 9.507 1.00 0.00 N ATOM 1552 CA GLY A 104 -8.822 5.822 8.337 1.00 0.00 C ATOM 1553 C GLY A 104 -8.207 4.902 7.305 1.00 0.00 C ATOM 1554 O GLY A 104 -8.913 4.283 6.505 1.00 0.00 O ATOM 0 H GLY A 104 -7.769 5.104 9.997 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -9.793 5.429 8.639 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -8.999 6.800 7.890 1.00 0.00 H new ATOM 1558 N PHE A 105 -6.886 4.810 7.328 1.00 0.00 N ATOM 1559 CA PHE A 105 -6.161 3.955 6.400 1.00 0.00 C ATOM 1560 C PHE A 105 -5.754 2.650 7.069 1.00 0.00 C ATOM 1561 O PHE A 105 -5.602 2.586 8.290 1.00 0.00 O ATOM 1562 CB PHE A 105 -4.913 4.666 5.871 1.00 0.00 C ATOM 1563 CG PHE A 105 -5.207 5.893 5.055 1.00 0.00 C ATOM 1564 CD1 PHE A 105 -5.631 5.782 3.741 1.00 0.00 C ATOM 1565 CD2 PHE A 105 -5.053 7.159 5.602 1.00 0.00 C ATOM 1566 CE1 PHE A 105 -5.899 6.909 2.987 1.00 0.00 C ATOM 1567 CE2 PHE A 105 -5.316 8.289 4.851 1.00 0.00 C ATOM 1568 CZ PHE A 105 -5.739 8.163 3.542 1.00 0.00 C ATOM 0 H PHE A 105 -6.292 5.319 7.982 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.827 3.733 5.566 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.282 4.946 6.715 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.340 3.967 5.263 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -5.754 4.804 3.301 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.724 7.262 6.626 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.233 6.809 1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.191 9.269 5.287 1.00 0.00 H new ATOM 0 HZ PHE A 105 -5.944 9.045 2.953 1.00 0.00 H new ATOM 1578 N THR A 106 -5.577 1.618 6.260 1.00 0.00 N ATOM 1579 CA THR A 106 -5.087 0.341 6.745 1.00 0.00 C ATOM 1580 C THR A 106 -3.564 0.310 6.636 1.00 0.00 C ATOM 1581 O THR A 106 -3.002 0.741 5.628 1.00 0.00 O ATOM 1582 CB THR A 106 -5.694 -0.822 5.931 1.00 0.00 C ATOM 1583 OG1 THR A 106 -7.120 -0.669 5.859 1.00 0.00 O ATOM 1584 CG2 THR A 106 -5.357 -2.169 6.559 1.00 0.00 C ATOM 0 H THR A 106 -5.767 1.642 5.258 1.00 0.00 H new ATOM 0 HA THR A 106 -5.385 0.222 7.787 1.00 0.00 H new ATOM 0 HB THR A 106 -5.267 -0.795 4.928 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.541 -1.552 5.795 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.798 -2.969 5.964 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.275 -2.295 6.591 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.757 -2.208 7.572 1.00 0.00 H new ATOM 1592 N TYR A 107 -2.894 -0.176 7.671 1.00 0.00 N ATOM 1593 CA TYR A 107 -1.440 -0.174 7.698 1.00 0.00 C ATOM 1594 C TYR A 107 -0.894 -1.574 7.454 1.00 0.00 C ATOM 1595 O TYR A 107 -1.064 -2.465 8.280 1.00 0.00 O ATOM 1596 CB TYR A 107 -0.927 0.346 9.041 1.00 0.00 C ATOM 1597 CG TYR A 107 -1.315 1.777 9.345 1.00 0.00 C ATOM 1598 CD1 TYR A 107 -0.576 2.839 8.838 1.00 0.00 C ATOM 1599 CD2 TYR A 107 -2.411 2.066 10.149 1.00 0.00 C ATOM 1600 CE1 TYR A 107 -0.919 4.147 9.124 1.00 0.00 C ATOM 1601 CE2 TYR A 107 -2.757 3.371 10.440 1.00 0.00 C ATOM 1602 CZ TYR A 107 -2.008 4.407 9.926 1.00 0.00 C ATOM 1603 OH TYR A 107 -2.348 5.708 10.217 1.00 0.00 O ATOM 0 H TYR A 107 -3.333 -0.575 8.500 1.00 0.00 H new ATOM 0 HA TYR A 107 -1.093 0.486 6.903 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.306 -0.297 9.835 1.00 0.00 H new ATOM 0 HB3 TYR A 107 0.160 0.265 9.057 1.00 0.00 H new ATOM 0 HD1 TYR A 107 0.280 2.639 8.211 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -3.002 1.257 10.553 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -0.336 4.961 8.720 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -3.611 3.579 11.068 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.168 5.947 9.736 1.00 0.00 H new ATOM 1613 N VAL A 108 -0.258 -1.770 6.314 1.00 0.00 N ATOM 1614 CA VAL A 108 0.370 -3.046 6.002 1.00 0.00 C ATOM 1615 C VAL A 108 1.853 -3.006 6.346 1.00 0.00 C ATOM 1616 O VAL A 108 2.586 -2.117 5.910 1.00 0.00 O ATOM 1617 CB VAL A 108 0.190 -3.421 4.518 1.00 0.00 C ATOM 1618 CG1 VAL A 108 0.904 -4.725 4.191 1.00 0.00 C ATOM 1619 CG2 VAL A 108 -1.278 -3.536 4.173 1.00 0.00 C ATOM 0 H VAL A 108 -0.161 -1.062 5.586 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.122 -3.808 6.606 1.00 0.00 H new ATOM 0 HB VAL A 108 0.634 -2.626 3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.760 -4.965 3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.969 -4.618 4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.495 -5.528 4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.385 -3.801 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.737 -4.308 4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.771 -2.582 4.358 1.00 0.00 H new ATOM 1629 N ILE A 109 2.286 -3.965 7.139 1.00 0.00 N ATOM 1630 CA ILE A 109 3.667 -4.027 7.567 1.00 0.00 C ATOM 1631 C ILE A 109 4.354 -5.258 6.992 1.00 0.00 C ATOM 1632 O ILE A 109 3.873 -6.383 7.140 1.00 0.00 O ATOM 1633 CB ILE A 109 3.778 -4.030 9.107 1.00 0.00 C ATOM 1634 CG1 ILE A 109 3.281 -2.695 9.667 1.00 0.00 C ATOM 1635 CG2 ILE A 109 5.208 -4.296 9.553 1.00 0.00 C ATOM 1636 CD1 ILE A 109 3.315 -2.606 11.178 1.00 0.00 C ATOM 0 H ILE A 109 1.697 -4.715 7.501 1.00 0.00 H new ATOM 0 HA ILE A 109 4.168 -3.135 7.191 1.00 0.00 H new ATOM 0 HB ILE A 109 3.153 -4.834 9.496 1.00 0.00 H new ATOM 0 HG12 ILE A 109 3.889 -1.891 9.253 1.00 0.00 H new ATOM 0 HG13 ILE A 109 2.259 -2.529 9.327 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.256 -4.292 10.642 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.531 -5.267 9.179 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.863 -3.519 9.158 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.947 -1.630 11.493 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.683 -3.386 11.603 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.339 -2.738 11.527 1.00 0.00 H new ATOM 1648 N VAL A 110 5.467 -5.028 6.322 1.00 0.00 N ATOM 1649 CA VAL A 110 6.239 -6.105 5.738 1.00 0.00 C ATOM 1650 C VAL A 110 7.618 -6.193 6.388 1.00 0.00 C ATOM 1651 O VAL A 110 8.329 -5.189 6.526 1.00 0.00 O ATOM 1652 CB VAL A 110 6.372 -5.939 4.203 1.00 0.00 C ATOM 1653 CG1 VAL A 110 6.944 -4.577 3.850 1.00 0.00 C ATOM 1654 CG2 VAL A 110 7.231 -7.043 3.603 1.00 0.00 C ATOM 0 H VAL A 110 5.858 -4.098 6.169 1.00 0.00 H new ATOM 0 HA VAL A 110 5.704 -7.036 5.928 1.00 0.00 H new ATOM 0 HB VAL A 110 5.371 -6.014 3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 110 7.027 -4.487 2.767 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.285 -3.796 4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.931 -4.469 4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.306 -6.900 2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.227 -7.009 4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.775 -8.011 3.810 1.00 0.00 H new ATOM 1664 N SER A 111 7.968 -7.389 6.825 1.00 0.00 N ATOM 1665 CA SER A 111 9.265 -7.643 7.404 1.00 0.00 C ATOM 1666 C SER A 111 10.274 -8.023 6.331 1.00 0.00 C ATOM 1667 O SER A 111 10.206 -9.110 5.761 1.00 0.00 O ATOM 1668 CB SER A 111 9.161 -8.756 8.434 1.00 0.00 C ATOM 1669 OG SER A 111 8.581 -8.277 9.629 1.00 0.00 O ATOM 0 H SER A 111 7.359 -8.207 6.787 1.00 0.00 H new ATOM 0 HA SER A 111 9.609 -6.730 7.890 1.00 0.00 H new ATOM 0 HB2 SER A 111 8.560 -9.573 8.034 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.152 -9.160 8.641 1.00 0.00 H new ATOM 0 HG SER A 111 9.288 -8.060 10.272 1.00 0.00 H new ATOM 1675 N VAL A 112 11.190 -7.117 6.036 1.00 0.00 N ATOM 1676 CA VAL A 112 12.290 -7.423 5.143 1.00 0.00 C ATOM 1677 C VAL A 112 13.598 -7.215 5.886 1.00 0.00 C ATOM 1678 O VAL A 112 13.950 -6.090 6.230 1.00 0.00 O ATOM 1679 CB VAL A 112 12.269 -6.535 3.879 1.00 0.00 C ATOM 1680 CG1 VAL A 112 13.386 -6.926 2.923 1.00 0.00 C ATOM 1681 CG2 VAL A 112 10.922 -6.616 3.181 1.00 0.00 C ATOM 0 H VAL A 112 11.193 -6.165 6.402 1.00 0.00 H new ATOM 0 HA VAL A 112 12.190 -8.459 4.821 1.00 0.00 H new ATOM 0 HB VAL A 112 12.431 -5.504 4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.350 -6.287 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 112 14.349 -6.806 3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 112 13.260 -7.966 2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.933 -5.982 2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.726 -7.647 2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 112 10.139 -6.277 3.860 1.00 0.00 H new ATOM 1691 N ARG A 113 14.326 -8.291 6.111 1.00 0.00 N ATOM 1692 CA ARG A 113 15.520 -8.222 6.929 1.00 0.00 C ATOM 1693 C ARG A 113 16.754 -8.091 6.062 1.00 0.00 C ATOM 1694 O ARG A 113 17.260 -9.083 5.527 1.00 0.00 O ATOM 1695 CB ARG A 113 15.622 -9.439 7.850 1.00 0.00 C ATOM 1696 CG ARG A 113 14.390 -9.638 8.723 1.00 0.00 C ATOM 1697 CD ARG A 113 14.637 -10.658 9.820 1.00 0.00 C ATOM 1698 NE ARG A 113 13.401 -11.059 10.492 1.00 0.00 N ATOM 1699 CZ ARG A 113 13.258 -11.158 11.814 1.00 0.00 C ATOM 1700 NH1 ARG A 113 14.212 -10.733 12.633 1.00 0.00 N ATOM 1701 NH2 ARG A 113 12.131 -11.641 12.315 1.00 0.00 N ATOM 0 H ARG A 113 14.113 -9.218 5.742 1.00 0.00 H new ATOM 0 HA ARG A 113 15.452 -7.334 7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.778 -10.332 7.245 1.00 0.00 H new ATOM 0 HB3 ARG A 113 16.498 -9.330 8.489 1.00 0.00 H new ATOM 0 HG2 ARG A 113 14.103 -8.686 9.169 1.00 0.00 H new ATOM 0 HG3 ARG A 113 13.554 -9.965 8.104 1.00 0.00 H new ATOM 0 HD2 ARG A 113 15.118 -11.538 9.393 1.00 0.00 H new ATOM 0 HD3 ARG A 113 15.328 -10.241 10.553 1.00 0.00 H new ATOM 0 HE ARG A 113 12.593 -11.278 9.909 1.00 0.00 H new ATOM 0 HH11 ARG A 113 15.066 -10.325 12.253 1.00 0.00 H new ATOM 0 HH12 ARG A 113 14.091 -10.814 13.643 1.00 0.00 H new ATOM 0 HH21 ARG A 113 11.380 -11.934 11.691 1.00 0.00 H new ATOM 0 HH22 ARG A 113 12.014 -11.720 13.325 1.00 0.00 H new ATOM 1715 N ASP A 114 17.185 -6.844 5.886 1.00 0.00 N ATOM 1716 CA ASP A 114 18.403 -6.523 5.143 1.00 0.00 C ATOM 1717 C ASP A 114 18.301 -7.000 3.691 1.00 0.00 C ATOM 1718 O ASP A 114 19.302 -7.184 3.008 1.00 0.00 O ATOM 1719 CB ASP A 114 19.611 -7.152 5.843 1.00 0.00 C ATOM 1720 CG ASP A 114 20.941 -6.626 5.333 1.00 0.00 C ATOM 1721 OD1 ASP A 114 21.255 -5.444 5.595 1.00 0.00 O ATOM 1722 OD2 ASP A 114 21.689 -7.394 4.696 1.00 0.00 O ATOM 0 H ASP A 114 16.700 -6.026 6.255 1.00 0.00 H new ATOM 0 HA ASP A 114 18.530 -5.441 5.123 1.00 0.00 H new ATOM 0 HB2 ASP A 114 19.540 -6.964 6.914 1.00 0.00 H new ATOM 0 HB3 ASP A 114 19.579 -8.233 5.707 1.00 0.00 H new ATOM 1727 N GLY A 115 17.078 -7.185 3.215 1.00 0.00 N ATOM 1728 CA GLY A 115 16.880 -7.601 1.843 1.00 0.00 C ATOM 1729 C GLY A 115 16.125 -8.911 1.731 1.00 0.00 C ATOM 1730 O GLY A 115 15.698 -9.292 0.645 1.00 0.00 O ATOM 0 H GLY A 115 16.222 -7.055 3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.333 -6.825 1.308 1.00 0.00 H new ATOM 0 HA3 GLY A 115 17.849 -7.702 1.355 1.00 0.00 H new ATOM 1734 N ALA A 116 15.963 -9.607 2.848 1.00 0.00 N ATOM 1735 CA ALA A 116 15.230 -10.869 2.855 1.00 0.00 C ATOM 1736 C ALA A 116 13.825 -10.684 3.422 1.00 0.00 C ATOM 1737 O ALA A 116 13.659 -10.435 4.617 1.00 0.00 O ATOM 1738 CB ALA A 116 15.993 -11.922 3.645 1.00 0.00 C ATOM 0 H ALA A 116 16.327 -9.322 3.758 1.00 0.00 H new ATOM 0 HA ALA A 116 15.133 -11.211 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 116 15.433 -12.857 3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 116 16.970 -12.082 3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 116 16.124 -11.582 4.672 1.00 0.00 H new ATOM 1744 N PRO A 117 12.797 -10.783 2.566 1.00 0.00 N ATOM 1745 CA PRO A 117 11.403 -10.647 2.991 1.00 0.00 C ATOM 1746 C PRO A 117 10.911 -11.875 3.756 1.00 0.00 C ATOM 1747 O PRO A 117 10.935 -12.997 3.246 1.00 0.00 O ATOM 1748 CB PRO A 117 10.643 -10.484 1.676 1.00 0.00 C ATOM 1749 CG PRO A 117 11.484 -11.169 0.654 1.00 0.00 C ATOM 1750 CD PRO A 117 12.913 -11.035 1.115 1.00 0.00 C ATOM 0 HA PRO A 117 11.263 -9.813 3.678 1.00 0.00 H new ATOM 0 HB2 PRO A 117 9.651 -10.933 1.736 1.00 0.00 H new ATOM 0 HB3 PRO A 117 10.502 -9.432 1.430 1.00 0.00 H new ATOM 0 HG2 PRO A 117 11.203 -12.218 0.561 1.00 0.00 H new ATOM 0 HG3 PRO A 117 11.349 -10.714 -0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 117 13.485 -11.940 0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 117 13.421 -10.216 0.607 1.00 0.00 H new ATOM 1758 N GLU A 118 10.462 -11.649 4.980 1.00 0.00 N ATOM 1759 CA GLU A 118 10.045 -12.732 5.857 1.00 0.00 C ATOM 1760 C GLU A 118 8.523 -12.831 5.942 1.00 0.00 C ATOM 1761 O GLU A 118 7.911 -13.710 5.331 1.00 0.00 O ATOM 1762 CB GLU A 118 10.634 -12.522 7.253 1.00 0.00 C ATOM 1763 CG GLU A 118 10.195 -13.564 8.271 1.00 0.00 C ATOM 1764 CD GLU A 118 10.767 -13.309 9.647 1.00 0.00 C ATOM 1765 OE1 GLU A 118 10.664 -12.165 10.139 1.00 0.00 O ATOM 1766 OE2 GLU A 118 11.315 -14.254 10.249 1.00 0.00 O ATOM 0 H GLU A 118 10.377 -10.719 5.391 1.00 0.00 H new ATOM 0 HA GLU A 118 10.417 -13.667 5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 118 11.722 -12.533 7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.347 -11.534 7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.107 -13.573 8.330 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.504 -14.552 7.930 1.00 0.00 H new ATOM 1773 N ALA A 119 7.917 -11.918 6.691 1.00 0.00 N ATOM 1774 CA ALA A 119 6.493 -11.990 6.969 1.00 0.00 C ATOM 1775 C ALA A 119 5.786 -10.690 6.615 1.00 0.00 C ATOM 1776 O ALA A 119 6.333 -9.598 6.786 1.00 0.00 O ATOM 1777 CB ALA A 119 6.264 -12.337 8.432 1.00 0.00 C ATOM 0 H ALA A 119 8.391 -11.121 7.115 1.00 0.00 H new ATOM 0 HA ALA A 119 6.069 -12.776 6.344 1.00 0.00 H new ATOM 0 HB1 ALA A 119 5.193 -12.389 8.630 1.00 0.00 H new ATOM 0 HB2 ALA A 119 6.721 -13.302 8.653 1.00 0.00 H new ATOM 0 HB3 ALA A 119 6.713 -11.570 9.063 1.00 0.00 H new ATOM 1783 N LEU A 120 4.580 -10.827 6.095 1.00 0.00 N ATOM 1784 CA LEU A 120 3.739 -9.688 5.764 1.00 0.00 C ATOM 1785 C LEU A 120 2.449 -9.763 6.565 1.00 0.00 C ATOM 1786 O LEU A 120 1.881 -10.845 6.734 1.00 0.00 O ATOM 1787 CB LEU A 120 3.402 -9.652 4.265 1.00 0.00 C ATOM 1788 CG LEU A 120 4.567 -9.361 3.313 1.00 0.00 C ATOM 1789 CD1 LEU A 120 5.520 -10.544 3.224 1.00 0.00 C ATOM 1790 CD2 LEU A 120 4.034 -9.005 1.936 1.00 0.00 C ATOM 0 H LEU A 120 4.154 -11.731 5.890 1.00 0.00 H new ATOM 0 HA LEU A 120 4.288 -8.780 6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.967 -10.613 3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.633 -8.896 4.105 1.00 0.00 H new ATOM 0 HG LEU A 120 5.127 -8.514 3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.335 -10.304 2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.927 -10.759 4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.982 -11.417 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 120 4.868 -8.799 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.451 -9.839 1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.400 -8.121 2.008 1.00 0.00 H new ATOM 1802 N THR A 121 1.994 -8.634 7.082 1.00 0.00 N ATOM 1803 CA THR A 121 0.736 -8.599 7.808 1.00 0.00 C ATOM 1804 C THR A 121 0.079 -7.234 7.659 1.00 0.00 C ATOM 1805 O THR A 121 0.748 -6.238 7.385 1.00 0.00 O ATOM 1806 CB THR A 121 0.929 -8.900 9.312 1.00 0.00 C ATOM 1807 OG1 THR A 121 1.862 -9.973 9.495 1.00 0.00 O ATOM 1808 CG2 THR A 121 -0.393 -9.286 9.958 1.00 0.00 C ATOM 0 H THR A 121 2.473 -7.736 7.013 1.00 0.00 H new ATOM 0 HA THR A 121 0.098 -9.372 7.380 1.00 0.00 H new ATOM 0 HB THR A 121 1.313 -7.995 9.783 1.00 0.00 H new ATOM 0 HG1 THR A 121 1.974 -10.150 10.452 1.00 0.00 H new ATOM 0 HG21 THR A 121 -0.234 -9.494 11.016 1.00 0.00 H new ATOM 0 HG22 THR A 121 -1.103 -8.466 9.852 1.00 0.00 H new ATOM 0 HG23 THR A 121 -0.791 -10.176 9.470 1.00 0.00 H new ATOM 1816 N ALA A 122 -1.226 -7.201 7.838 1.00 0.00 N ATOM 1817 CA ALA A 122 -1.969 -5.962 7.785 1.00 0.00 C ATOM 1818 C ALA A 122 -2.506 -5.626 9.162 1.00 0.00 C ATOM 1819 O ALA A 122 -2.906 -6.513 9.921 1.00 0.00 O ATOM 1820 CB ALA A 122 -3.100 -6.051 6.771 1.00 0.00 C ATOM 0 H ALA A 122 -1.796 -8.026 8.023 1.00 0.00 H new ATOM 0 HA ALA A 122 -1.298 -5.165 7.465 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.644 -5.107 6.749 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.688 -6.255 5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.779 -6.855 7.053 1.00 0.00 H new ATOM 1826 N TRP A 123 -2.485 -4.354 9.486 1.00 0.00 N ATOM 1827 CA TRP A 123 -2.905 -3.894 10.790 1.00 0.00 C ATOM 1828 C TRP A 123 -3.959 -2.810 10.653 1.00 0.00 C ATOM 1829 O TRP A 123 -3.860 -1.927 9.797 1.00 0.00 O ATOM 1830 CB TRP A 123 -1.707 -3.360 11.575 1.00 0.00 C ATOM 1831 CG TRP A 123 -0.618 -4.370 11.773 1.00 0.00 C ATOM 1832 CD1 TRP A 123 0.388 -4.678 10.902 1.00 0.00 C ATOM 1833 CD2 TRP A 123 -0.432 -5.208 12.916 1.00 0.00 C ATOM 1834 NE1 TRP A 123 1.200 -5.644 11.446 1.00 0.00 N ATOM 1835 CE2 TRP A 123 0.715 -5.987 12.678 1.00 0.00 C ATOM 1836 CE3 TRP A 123 -1.121 -5.374 14.119 1.00 0.00 C ATOM 1837 CZ2 TRP A 123 1.189 -6.914 13.602 1.00 0.00 C ATOM 1838 CZ3 TRP A 123 -0.652 -6.298 15.032 1.00 0.00 C ATOM 1839 CH2 TRP A 123 0.494 -7.056 14.770 1.00 0.00 C ATOM 0 H TRP A 123 -2.178 -3.612 8.857 1.00 0.00 H new ATOM 0 HA TRP A 123 -3.335 -4.737 11.332 1.00 0.00 H new ATOM 0 HB2 TRP A 123 -1.298 -2.495 11.053 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -2.049 -3.011 12.550 1.00 0.00 H new ATOM 0 HD1 TRP A 123 0.525 -4.229 9.929 1.00 0.00 H new ATOM 0 HE1 TRP A 123 2.029 -6.040 11.003 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.005 -4.790 14.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 2.074 -7.500 13.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -1.179 -6.438 15.964 1.00 0.00 H new ATOM 0 HH2 TRP A 123 0.837 -7.768 15.506 1.00 0.00 H new ATOM 1850 N ALA A 124 -4.963 -2.884 11.501 1.00 0.00 N ATOM 1851 CA ALA A 124 -6.007 -1.886 11.533 1.00 0.00 C ATOM 1852 C ALA A 124 -5.801 -0.982 12.734 1.00 0.00 C ATOM 1853 O ALA A 124 -5.604 -1.459 13.853 1.00 0.00 O ATOM 1854 CB ALA A 124 -7.377 -2.548 11.584 1.00 0.00 C ATOM 0 H ALA A 124 -5.077 -3.634 12.183 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.960 -1.286 10.624 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -8.151 -1.781 11.608 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -7.512 -3.173 10.701 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.450 -3.165 12.480 1.00 0.00 H new ATOM 1860 N LEU A 125 -5.829 0.317 12.502 1.00 0.00 N ATOM 1861 CA LEU A 125 -5.611 1.278 13.566 1.00 0.00 C ATOM 1862 C LEU A 125 -6.890 1.448 14.368 1.00 0.00 C ATOM 1863 O LEU A 125 -7.978 1.527 13.794 1.00 0.00 O ATOM 1864 CB LEU A 125 -5.166 2.625 12.987 1.00 0.00 C ATOM 1865 CG LEU A 125 -4.816 3.699 14.022 1.00 0.00 C ATOM 1866 CD1 LEU A 125 -3.588 3.295 14.824 1.00 0.00 C ATOM 1867 CD2 LEU A 125 -4.585 5.038 13.343 1.00 0.00 C ATOM 0 H LEU A 125 -6.001 0.731 11.586 1.00 0.00 H new ATOM 0 HA LEU A 125 -4.822 0.909 14.222 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -4.296 2.459 12.352 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -5.961 3.007 12.346 1.00 0.00 H new ATOM 0 HG LEU A 125 -5.658 3.797 14.708 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.358 4.072 15.553 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -3.785 2.357 15.343 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.740 3.166 14.151 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -4.338 5.789 14.094 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -3.762 4.949 12.634 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -5.489 5.338 12.814 1.00 0.00 H new ATOM 1879 N ALA A 126 -6.756 1.456 15.689 1.00 0.00 N ATOM 1880 CA ALA A 126 -7.893 1.670 16.571 1.00 0.00 C ATOM 1881 C ALA A 126 -8.589 2.976 16.212 1.00 0.00 C ATOM 1882 O ALA A 126 -7.914 3.952 15.869 1.00 0.00 O ATOM 1883 CB ALA A 126 -7.443 1.681 18.024 1.00 0.00 C ATOM 0 H ALA A 126 -5.869 1.316 16.172 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.601 0.851 16.442 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -8.305 1.842 18.671 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.980 0.725 18.269 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -6.721 2.484 18.175 1.00 0.00 H new ATOM 1889 N PRO A 127 -9.936 2.989 16.297 1.00 0.00 N ATOM 1890 CA PRO A 127 -10.794 4.090 15.855 1.00 0.00 C ATOM 1891 C PRO A 127 -10.146 5.471 15.898 1.00 0.00 C ATOM 1892 O PRO A 127 -10.120 6.181 14.892 1.00 0.00 O ATOM 1893 CB PRO A 127 -11.946 4.006 16.844 1.00 0.00 C ATOM 1894 CG PRO A 127 -12.098 2.546 17.121 1.00 0.00 C ATOM 1895 CD PRO A 127 -10.754 1.900 16.856 1.00 0.00 C ATOM 0 HA PRO A 127 -11.065 3.985 14.804 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -11.727 4.562 17.756 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -12.860 4.427 16.425 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -12.408 2.380 18.153 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -12.867 2.111 16.483 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -10.316 1.502 17.771 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -10.842 1.069 16.157 1.00 0.00 H new ATOM 1903 N ASP A 128 -9.621 5.860 17.052 1.00 0.00 N ATOM 1904 CA ASP A 128 -8.993 7.166 17.168 1.00 0.00 C ATOM 1905 C ASP A 128 -7.566 7.068 17.706 1.00 0.00 C ATOM 1906 O ASP A 128 -7.294 7.423 18.854 1.00 0.00 O ATOM 1907 CB ASP A 128 -9.836 8.097 18.039 1.00 0.00 C ATOM 1908 CG ASP A 128 -9.334 9.530 18.015 1.00 0.00 C ATOM 1909 OD1 ASP A 128 -8.899 9.995 16.940 1.00 0.00 O ATOM 1910 OD2 ASP A 128 -9.371 10.195 19.074 1.00 0.00 O ATOM 0 H ASP A 128 -9.617 5.301 17.905 1.00 0.00 H new ATOM 0 HA ASP A 128 -8.934 7.587 16.164 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -10.870 8.072 17.696 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -9.832 7.731 19.066 1.00 0.00 H new ATOM 1915 N ARG A 129 -6.673 6.522 16.875 1.00 0.00 N ATOM 1916 CA ARG A 129 -5.222 6.601 17.103 1.00 0.00 C ATOM 1917 C ARG A 129 -4.797 5.998 18.445 1.00 0.00 C ATOM 1918 O ARG A 129 -3.821 6.442 19.051 1.00 0.00 O ATOM 1919 CB ARG A 129 -4.780 8.066 17.038 1.00 0.00 C ATOM 1920 CG ARG A 129 -4.967 8.701 15.670 1.00 0.00 C ATOM 1921 CD ARG A 129 -4.988 10.216 15.764 1.00 0.00 C ATOM 1922 NE ARG A 129 -6.192 10.699 16.440 1.00 0.00 N ATOM 1923 CZ ARG A 129 -6.242 11.795 17.196 1.00 0.00 C ATOM 1924 NH1 ARG A 129 -5.140 12.490 17.450 1.00 0.00 N ATOM 1925 NH2 ARG A 129 -7.397 12.165 17.729 1.00 0.00 N ATOM 0 H ARG A 129 -6.931 6.015 16.029 1.00 0.00 H new ATOM 0 HA ARG A 129 -4.738 6.015 16.322 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.343 8.639 17.775 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -3.729 8.132 17.319 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -4.161 8.387 15.007 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -5.899 8.349 15.227 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -4.105 10.560 16.303 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -4.936 10.644 14.763 1.00 0.00 H new ATOM 0 HE ARG A 129 -7.051 10.161 16.325 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -4.245 12.186 17.065 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -5.188 13.328 18.030 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -8.237 11.612 17.559 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -7.446 13.002 18.309 1.00 0.00 H new ATOM 1939 N SER A 130 -5.509 4.980 18.898 1.00 0.00 N ATOM 1940 CA SER A 130 -5.221 4.385 20.196 1.00 0.00 C ATOM 1941 C SER A 130 -4.111 3.334 20.100 1.00 0.00 C ATOM 1942 O SER A 130 -3.130 3.390 20.841 1.00 0.00 O ATOM 1943 CB SER A 130 -6.497 3.775 20.772 1.00 0.00 C ATOM 1944 OG SER A 130 -7.549 4.725 20.754 1.00 0.00 O ATOM 0 H SER A 130 -6.284 4.550 18.393 1.00 0.00 H new ATOM 0 HA SER A 130 -4.864 5.169 20.864 1.00 0.00 H new ATOM 0 HB2 SER A 130 -6.782 2.896 20.193 1.00 0.00 H new ATOM 0 HB3 SER A 130 -6.319 3.439 21.794 1.00 0.00 H new ATOM 0 HG SER A 130 -8.361 4.321 21.124 1.00 0.00 H new ATOM 1950 N GLU A 131 -4.259 2.396 19.171 1.00 0.00 N ATOM 1951 CA GLU A 131 -3.313 1.290 19.031 1.00 0.00 C ATOM 1952 C GLU A 131 -3.525 0.574 17.704 1.00 0.00 C ATOM 1953 O GLU A 131 -4.387 0.960 16.916 1.00 0.00 O ATOM 1954 CB GLU A 131 -3.487 0.305 20.191 1.00 0.00 C ATOM 1955 CG GLU A 131 -4.909 -0.210 20.338 1.00 0.00 C ATOM 1956 CD GLU A 131 -5.095 -1.089 21.556 1.00 0.00 C ATOM 1957 OE1 GLU A 131 -4.861 -0.608 22.686 1.00 0.00 O ATOM 1958 OE2 GLU A 131 -5.484 -2.263 21.391 1.00 0.00 O ATOM 0 H GLU A 131 -5.027 2.378 18.500 1.00 0.00 H new ATOM 0 HA GLU A 131 -2.300 1.692 19.052 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -2.816 -0.541 20.043 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.187 0.792 21.119 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -5.592 0.637 20.400 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -5.180 -0.773 19.445 1.00 0.00 H new ATOM 1965 N PHE A 132 -2.746 -0.469 17.468 1.00 0.00 N ATOM 1966 CA PHE A 132 -2.877 -1.264 16.254 1.00 0.00 C ATOM 1967 C PHE A 132 -3.485 -2.619 16.572 1.00 0.00 C ATOM 1968 O PHE A 132 -3.229 -3.192 17.632 1.00 0.00 O ATOM 1969 CB PHE A 132 -1.518 -1.471 15.580 1.00 0.00 C ATOM 1970 CG PHE A 132 -0.933 -0.225 14.981 1.00 0.00 C ATOM 1971 CD1 PHE A 132 -1.281 0.172 13.700 1.00 0.00 C ATOM 1972 CD2 PHE A 132 -0.028 0.545 15.694 1.00 0.00 C ATOM 1973 CE1 PHE A 132 -0.738 1.314 13.142 1.00 0.00 C ATOM 1974 CE2 PHE A 132 0.519 1.686 15.141 1.00 0.00 C ATOM 1975 CZ PHE A 132 0.162 2.072 13.864 1.00 0.00 C ATOM 0 H PHE A 132 -2.013 -0.787 18.102 1.00 0.00 H new ATOM 0 HA PHE A 132 -3.530 -0.719 15.572 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -0.818 -1.871 16.314 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -1.624 -2.222 14.797 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -1.985 -0.418 13.131 1.00 0.00 H new ATOM 0 HD2 PHE A 132 0.253 0.249 16.694 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -1.017 1.613 12.143 1.00 0.00 H new ATOM 0 HE2 PHE A 132 1.225 2.276 15.707 1.00 0.00 H new ATOM 0 HZ PHE A 132 0.586 2.966 13.431 1.00 0.00 H new ATOM 1985 N HIS A 133 -4.296 -3.124 15.660 1.00 0.00 N ATOM 1986 CA HIS A 133 -4.857 -4.455 15.803 1.00 0.00 C ATOM 1987 C HIS A 133 -4.541 -5.297 14.589 1.00 0.00 C ATOM 1988 O HIS A 133 -4.466 -4.791 13.468 1.00 0.00 O ATOM 1989 CB HIS A 133 -6.367 -4.408 16.026 1.00 0.00 C ATOM 1990 CG HIS A 133 -6.747 -4.089 17.435 1.00 0.00 C ATOM 1991 ND1 HIS A 133 -7.207 -5.039 18.315 1.00 0.00 N ATOM 1992 CD2 HIS A 133 -6.703 -2.928 18.126 1.00 0.00 C ATOM 1993 CE1 HIS A 133 -7.427 -4.480 19.486 1.00 0.00 C ATOM 1994 NE2 HIS A 133 -7.127 -3.196 19.406 1.00 0.00 N ATOM 0 H HIS A 133 -4.581 -2.633 14.813 1.00 0.00 H new ATOM 0 HA HIS A 133 -4.400 -4.909 16.682 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -6.802 -3.661 15.362 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -6.798 -5.370 15.750 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -6.392 -1.967 17.743 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -7.792 -4.987 20.367 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -7.198 -2.518 20.165 1.00 0.00 H new ATOM 2003 N ARG A 134 -4.347 -6.574 14.831 1.00 0.00 N ATOM 2004 CA ARG A 134 -4.023 -7.522 13.783 1.00 0.00 C ATOM 2005 C ARG A 134 -5.228 -7.732 12.876 1.00 0.00 C ATOM 2006 O ARG A 134 -6.360 -7.846 13.351 1.00 0.00 O ATOM 2007 CB ARG A 134 -3.594 -8.852 14.405 1.00 0.00 C ATOM 2008 CG ARG A 134 -3.108 -9.871 13.395 1.00 0.00 C ATOM 2009 CD ARG A 134 -1.633 -9.688 13.070 1.00 0.00 C ATOM 2010 NE ARG A 134 -0.768 -10.043 14.198 1.00 0.00 N ATOM 2011 CZ ARG A 134 0.517 -10.383 14.078 1.00 0.00 C ATOM 2012 NH1 ARG A 134 1.097 -10.411 12.881 1.00 0.00 N ATOM 2013 NH2 ARG A 134 1.222 -10.694 15.156 1.00 0.00 N ATOM 0 H ARG A 134 -4.409 -6.988 15.761 1.00 0.00 H new ATOM 0 HA ARG A 134 -3.201 -7.126 13.186 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -2.801 -8.665 15.129 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -4.435 -9.273 14.956 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -3.272 -10.876 13.785 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -3.695 -9.784 12.481 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -1.374 -10.303 12.208 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -1.451 -8.651 12.788 1.00 0.00 H new ATOM 0 HE ARG A 134 -1.173 -10.029 15.134 1.00 0.00 H new ATOM 0 HH11 ARG A 134 0.559 -10.172 12.048 1.00 0.00 H new ATOM 0 HH12 ARG A 134 2.079 -10.672 12.796 1.00 0.00 H new ATOM 0 HH21 ARG A 134 0.783 -10.673 16.076 1.00 0.00 H new ATOM 0 HH22 ARG A 134 2.204 -10.954 15.066 1.00 0.00 H new ATOM 2027 N GLU A 135 -4.990 -7.767 11.579 1.00 0.00 N ATOM 2028 CA GLU A 135 -6.060 -8.004 10.626 1.00 0.00 C ATOM 2029 C GLU A 135 -5.643 -9.075 9.631 1.00 0.00 C ATOM 2030 O GLU A 135 -4.458 -9.230 9.326 1.00 0.00 O ATOM 2031 CB GLU A 135 -6.452 -6.706 9.912 1.00 0.00 C ATOM 2032 CG GLU A 135 -7.687 -6.842 9.035 1.00 0.00 C ATOM 2033 CD GLU A 135 -8.254 -5.509 8.588 1.00 0.00 C ATOM 2034 OE1 GLU A 135 -9.110 -4.954 9.311 1.00 0.00 O ATOM 2035 OE2 GLU A 135 -7.871 -5.022 7.508 1.00 0.00 O ATOM 0 H GLU A 135 -4.069 -7.635 11.161 1.00 0.00 H new ATOM 0 HA GLU A 135 -6.938 -8.359 11.166 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -6.630 -5.931 10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -5.616 -6.372 9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -7.436 -7.436 8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -8.454 -7.390 9.582 1.00 0.00 H new ATOM 2042 N ASP A 136 -6.620 -9.823 9.154 1.00 0.00 N ATOM 2043 CA ASP A 136 -6.371 -10.941 8.255 1.00 0.00 C ATOM 2044 C ASP A 136 -6.479 -10.521 6.803 1.00 0.00 C ATOM 2045 O ASP A 136 -7.132 -9.530 6.473 1.00 0.00 O ATOM 2046 CB ASP A 136 -7.351 -12.085 8.526 1.00 0.00 C ATOM 2047 CG ASP A 136 -7.036 -12.829 9.802 1.00 0.00 C ATOM 2048 OD1 ASP A 136 -6.219 -13.774 9.751 1.00 0.00 O ATOM 2049 OD2 ASP A 136 -7.623 -12.493 10.855 1.00 0.00 O ATOM 0 H ASP A 136 -7.605 -9.676 9.376 1.00 0.00 H new ATOM 0 HA ASP A 136 -5.354 -11.284 8.444 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -8.363 -11.685 8.583 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -7.330 -12.782 7.689 1.00 0.00 H new ATOM 2054 N ILE A 137 -5.840 -11.293 5.940 1.00 0.00 N ATOM 2055 CA ILE A 137 -5.900 -11.055 4.512 1.00 0.00 C ATOM 2056 C ILE A 137 -7.025 -11.880 3.900 1.00 0.00 C ATOM 2057 O ILE A 137 -6.973 -13.113 3.886 1.00 0.00 O ATOM 2058 CB ILE A 137 -4.558 -11.398 3.813 1.00 0.00 C ATOM 2059 CG1 ILE A 137 -3.479 -10.350 4.131 1.00 0.00 C ATOM 2060 CG2 ILE A 137 -4.744 -11.527 2.306 1.00 0.00 C ATOM 2061 CD1 ILE A 137 -2.948 -10.405 5.549 1.00 0.00 C ATOM 0 H ILE A 137 -5.270 -12.095 6.209 1.00 0.00 H new ATOM 0 HA ILE A 137 -6.092 -9.993 4.359 1.00 0.00 H new ATOM 0 HB ILE A 137 -4.223 -12.359 4.203 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -2.647 -10.482 3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -3.890 -9.357 3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -3.788 -11.768 1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.461 -12.321 2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -5.116 -10.585 1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -2.192 -9.631 5.685 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -3.766 -10.240 6.250 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -2.503 -11.383 5.733 1.00 0.00 H new ATOM 2073 N VAL A 138 -8.042 -11.199 3.399 1.00 0.00 N ATOM 2074 CA VAL A 138 -9.169 -11.871 2.776 1.00 0.00 C ATOM 2075 C VAL A 138 -9.178 -11.627 1.275 1.00 0.00 C ATOM 2076 O VAL A 138 -8.692 -10.603 0.791 1.00 0.00 O ATOM 2077 CB VAL A 138 -10.520 -11.442 3.388 1.00 0.00 C ATOM 2078 CG1 VAL A 138 -10.684 -12.022 4.784 1.00 0.00 C ATOM 2079 CG2 VAL A 138 -10.650 -9.929 3.425 1.00 0.00 C ATOM 0 H VAL A 138 -8.110 -10.181 3.412 1.00 0.00 H new ATOM 0 HA VAL A 138 -9.045 -12.937 2.967 1.00 0.00 H new ATOM 0 HB VAL A 138 -11.314 -11.834 2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -11.642 -11.708 5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -10.650 -13.110 4.732 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -9.877 -11.664 5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -11.611 -9.657 3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -9.846 -9.509 4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -10.586 -9.533 2.411 1.00 0.00 H new ATOM 2089 N ARG A 139 -9.726 -12.580 0.544 1.00 0.00 N ATOM 2090 CA ARG A 139 -9.711 -12.546 -0.901 1.00 0.00 C ATOM 2091 C ARG A 139 -11.091 -12.196 -1.444 1.00 0.00 C ATOM 2092 O ARG A 139 -12.106 -12.672 -0.931 1.00 0.00 O ATOM 2093 CB ARG A 139 -9.259 -13.910 -1.409 1.00 0.00 C ATOM 2094 CG ARG A 139 -7.948 -14.362 -0.786 1.00 0.00 C ATOM 2095 CD ARG A 139 -7.623 -15.802 -1.124 1.00 0.00 C ATOM 2096 NE ARG A 139 -6.487 -16.295 -0.345 1.00 0.00 N ATOM 2097 CZ ARG A 139 -5.886 -17.462 -0.558 1.00 0.00 C ATOM 2098 NH1 ARG A 139 -6.322 -18.274 -1.513 1.00 0.00 N ATOM 2099 NH2 ARG A 139 -4.850 -17.825 0.190 1.00 0.00 N ATOM 0 H ARG A 139 -10.193 -13.397 0.938 1.00 0.00 H new ATOM 0 HA ARG A 139 -9.020 -11.777 -1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -10.032 -14.648 -1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -9.147 -13.871 -2.493 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -7.141 -13.717 -1.134 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -8.003 -14.248 0.297 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -8.495 -16.427 -0.932 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -7.399 -15.885 -2.188 1.00 0.00 H new ATOM 0 HE ARG A 139 -6.134 -15.706 0.409 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -7.121 -18.004 -2.087 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -5.858 -19.168 -1.673 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -4.514 -17.208 0.930 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -4.391 -18.721 0.025 1.00 0.00 H new ATOM 2113 N PRO A 140 -11.148 -11.332 -2.467 1.00 0.00 N ATOM 2114 CA PRO A 140 -12.407 -10.922 -3.092 1.00 0.00 C ATOM 2115 C PRO A 140 -13.051 -12.054 -3.884 1.00 0.00 C ATOM 2116 O PRO A 140 -12.373 -12.771 -4.625 1.00 0.00 O ATOM 2117 CB PRO A 140 -12.002 -9.775 -4.035 1.00 0.00 C ATOM 2118 CG PRO A 140 -10.594 -9.434 -3.676 1.00 0.00 C ATOM 2119 CD PRO A 140 -9.993 -10.678 -3.091 1.00 0.00 C ATOM 0 HA PRO A 140 -13.147 -10.629 -2.347 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -12.077 -10.081 -5.078 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -12.658 -8.914 -3.908 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -10.037 -9.110 -4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -10.564 -8.614 -2.959 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -9.537 -11.306 -3.856 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -9.216 -10.448 -2.362 1.00 0.00 H new ATOM 2127 N ASP A 141 -14.356 -12.214 -3.716 1.00 0.00 N ATOM 2128 CA ASP A 141 -15.101 -13.233 -4.441 1.00 0.00 C ATOM 2129 C ASP A 141 -15.469 -12.732 -5.828 1.00 0.00 C ATOM 2130 O ASP A 141 -16.173 -11.730 -5.961 1.00 0.00 O ATOM 2131 CB ASP A 141 -16.381 -13.615 -3.689 1.00 0.00 C ATOM 2132 CG ASP A 141 -16.111 -14.218 -2.329 1.00 0.00 C ATOM 2133 OD1 ASP A 141 -15.964 -15.455 -2.239 1.00 0.00 O ATOM 2134 OD2 ASP A 141 -16.059 -13.460 -1.339 1.00 0.00 O ATOM 0 H ASP A 141 -14.922 -11.650 -3.082 1.00 0.00 H new ATOM 0 HA ASP A 141 -14.464 -14.113 -4.527 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -17.004 -12.728 -3.570 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -16.950 -14.326 -4.289 1.00 0.00 H new