USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 786 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 49 TYR OH : rot 74:sc= 0.261 USER MOD Set 1.2: B 48 GLN :FLIP amide:sc= 0.256 F(o=-0.14,f=0.52) USER MOD Set 2.1: B 34 GLN : amide:sc= 0.218 X(o=0.65,f=0.26) USER MOD Set 2.2: B 38 TYR OH : rot 180:sc= 0.427 USER MOD Set 3.1: A 34 GLN : amide:sc= 0.815 X(o=1.6,f=1.3) USER MOD Set 3.2: A 38 TYR OH : rot 180:sc= 0.751 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 97:sc= 0.19 USER MOD Single : A 15 SER OG : rot 153:sc= 0.231 USER MOD Single : A 16 GLN : amide:sc= 0.474 K(o=0.47,f=-0.051) USER MOD Single : A 17 MET CE :methyl -170:sc= 0 (180deg=-0.129) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -160:sc= -0.0401 (180deg=-0.453) USER MOD Single : A 23 SER OG : rot 180:sc= -0.372 USER MOD Single : A 30 THR OG1 : rot -34:sc= 0.0494 USER MOD Single : A 35 THR OG1 : rot 144:sc= 1.08 USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= 1.01 (180deg=0.582) USER MOD Single : A 37 ASN : amide:sc= 0.315 K(o=0.32,f=-4!) USER MOD Single : A 46 THR OG1 : rot 65:sc= 0.999 USER MOD Single : A 48 GLN : amide:sc= -0.0188 K(o=-0.019,f=-0.94) USER MOD Single : A 50 SER OG : rot -65:sc= 0.751 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.11) USER MOD Single : B 1 GLY N :NH3+ -118:sc= 0.0952 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 13 SER OG : rot 91:sc= 0.353 USER MOD Single : B 15 SER OG : rot 160:sc= 0.697 USER MOD Single : B 16 GLN : amide:sc= 0.198 X(o=0.2,f=-0.15) USER MOD Single : B 17 MET CE :methyl -176:sc= 0 (180deg=-0.0135) USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 MET CE :methyl -142:sc= -0.117 (180deg=-0.634) USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot 67:sc= 0.536 USER MOD Single : B 36 LYS NZ :NH3+ -173:sc= 1.3 (180deg=1.11) USER MOD Single : B 37 ASN : amide:sc= 0.853 K(o=0.85,f=-6.7!) USER MOD Single : B 46 THR OG1 : rot 63:sc= 1.22 USER MOD Single : B 49 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 SER OG : rot -75:sc= 1.03 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.073 19.795 -3.445 1.00 10.00 N ATOM 2 CA GLY A 1 18.885 18.380 -3.850 1.00 10.00 C ATOM 3 C GLY A 1 19.485 17.427 -2.842 1.00 10.00 C ATOM 4 O GLY A 1 19.147 17.476 -1.658 1.00 10.00 O ATOM 0 H1 GLY A 1 18.649 20.420 -4.160 1.00 10.00 H new ATOM 0 H2 GLY A 1 18.613 19.957 -2.527 1.00 10.00 H new ATOM 0 H3 GLY A 1 20.089 20.001 -3.364 1.00 10.00 H new ATOM 0 HA2 GLY A 1 17.821 18.171 -3.960 1.00 10.00 H new ATOM 0 HA3 GLY A 1 19.345 18.216 -4.825 1.00 10.00 H new ATOM 10 N SER A 2 20.374 16.559 -3.303 1.00 10.00 N ATOM 11 CA SER A 2 21.031 15.605 -2.423 1.00 10.00 C ATOM 12 C SER A 2 22.316 16.215 -1.862 1.00 10.00 C ATOM 13 O SER A 2 23.286 16.415 -2.592 1.00 10.00 O ATOM 14 CB SER A 2 21.338 14.311 -3.180 1.00 10.00 C ATOM 15 OG SER A 2 20.200 13.859 -3.901 1.00 10.00 O ATOM 0 H SER A 2 20.656 16.496 -4.281 1.00 10.00 H new ATOM 0 HA SER A 2 20.364 15.368 -1.594 1.00 10.00 H new ATOM 0 HB2 SER A 2 22.167 14.476 -3.868 1.00 10.00 H new ATOM 0 HB3 SER A 2 21.656 13.541 -2.477 1.00 10.00 H new ATOM 0 HG SER A 2 20.422 13.032 -4.378 1.00 10.00 H new ATOM 21 N PRO A 3 22.334 16.540 -0.565 1.00 10.00 N ATOM 22 CA PRO A 3 23.505 17.131 0.077 1.00 10.00 C ATOM 23 C PRO A 3 24.532 16.079 0.485 1.00 10.00 C ATOM 24 O PRO A 3 24.191 14.906 0.638 1.00 10.00 O ATOM 25 CB PRO A 3 22.903 17.799 1.310 1.00 10.00 C ATOM 26 CG PRO A 3 21.746 16.932 1.676 1.00 10.00 C ATOM 27 CD PRO A 3 21.218 16.358 0.384 1.00 10.00 C ATOM 0 HA PRO A 3 24.047 17.811 -0.581 1.00 10.00 H new ATOM 0 HB2 PRO A 3 23.627 17.859 2.123 1.00 10.00 H new ATOM 0 HB3 PRO A 3 22.583 18.818 1.093 1.00 10.00 H new ATOM 0 HG2 PRO A 3 22.055 16.138 2.356 1.00 10.00 H new ATOM 0 HG3 PRO A 3 20.976 17.508 2.188 1.00 10.00 H new ATOM 0 HD2 PRO A 3 20.953 15.306 0.492 1.00 10.00 H new ATOM 0 HD3 PRO A 3 20.321 16.880 0.051 1.00 10.00 H new ATOM 35 N PRO A 4 25.800 16.485 0.681 1.00 10.00 N ATOM 36 CA PRO A 4 26.875 15.569 1.090 1.00 10.00 C ATOM 37 C PRO A 4 26.611 14.966 2.469 1.00 10.00 C ATOM 38 O PRO A 4 27.264 14.006 2.882 1.00 10.00 O ATOM 39 CB PRO A 4 28.124 16.456 1.123 1.00 10.00 C ATOM 40 CG PRO A 4 27.771 17.657 0.313 1.00 10.00 C ATOM 41 CD PRO A 4 26.298 17.858 0.502 1.00 10.00 C ATOM 0 HA PRO A 4 26.968 14.721 0.412 1.00 10.00 H new ATOM 0 HB2 PRO A 4 28.384 16.732 2.145 1.00 10.00 H new ATOM 0 HB3 PRO A 4 28.986 15.938 0.704 1.00 10.00 H new ATOM 0 HG2 PRO A 4 28.331 18.531 0.645 1.00 10.00 H new ATOM 0 HG3 PRO A 4 28.013 17.504 -0.739 1.00 10.00 H new ATOM 0 HD2 PRO A 4 26.083 18.482 1.369 1.00 10.00 H new ATOM 0 HD3 PRO A 4 25.842 18.344 -0.361 1.00 10.00 H new ATOM 49 N GLU A 5 25.645 15.543 3.171 1.00 10.00 N ATOM 50 CA GLU A 5 25.263 15.084 4.499 1.00 10.00 C ATOM 51 C GLU A 5 24.426 13.816 4.410 1.00 10.00 C ATOM 52 O GLU A 5 24.337 13.050 5.368 1.00 10.00 O ATOM 53 CB GLU A 5 24.468 16.176 5.214 1.00 10.00 C ATOM 54 CG GLU A 5 25.220 17.489 5.341 1.00 10.00 C ATOM 55 CD GLU A 5 26.314 17.426 6.384 1.00 10.00 C ATOM 56 OE1 GLU A 5 26.000 17.568 7.584 1.00 10.00 O ATOM 57 OE2 GLU A 5 27.486 17.233 6.009 1.00 10.00 O ATOM 0 H GLU A 5 25.105 16.341 2.836 1.00 10.00 H new ATOM 0 HA GLU A 5 26.169 14.863 5.063 1.00 10.00 H new ATOM 0 HB2 GLU A 5 23.538 16.350 4.673 1.00 10.00 H new ATOM 0 HB3 GLU A 5 24.197 15.824 6.209 1.00 10.00 H new ATOM 0 HG2 GLU A 5 25.655 17.750 4.377 1.00 10.00 H new ATOM 0 HG3 GLU A 5 24.519 18.283 5.600 1.00 10.00 H new ATOM 64 N ALA A 6 23.814 13.603 3.252 1.00 10.00 N ATOM 65 CA ALA A 6 22.976 12.436 3.038 1.00 10.00 C ATOM 66 C ALA A 6 23.830 11.203 2.788 1.00 10.00 C ATOM 67 O ALA A 6 24.827 11.263 2.067 1.00 10.00 O ATOM 68 CB ALA A 6 22.021 12.676 1.876 1.00 10.00 C ATOM 0 H ALA A 6 23.884 14.226 2.447 1.00 10.00 H new ATOM 0 HA ALA A 6 22.386 12.263 3.938 1.00 10.00 H new ATOM 0 HB1 ALA A 6 21.399 11.793 1.727 1.00 10.00 H new ATOM 0 HB2 ALA A 6 21.386 13.534 2.098 1.00 10.00 H new ATOM 0 HB3 ALA A 6 22.593 12.873 0.970 1.00 10.00 H new ATOM 74 N ASP A 7 23.446 10.091 3.396 1.00 10.00 N ATOM 75 CA ASP A 7 24.184 8.846 3.236 1.00 10.00 C ATOM 76 C ASP A 7 23.882 8.221 1.879 1.00 10.00 C ATOM 77 O ASP A 7 22.719 7.992 1.538 1.00 10.00 O ATOM 78 CB ASP A 7 23.834 7.859 4.348 1.00 10.00 C ATOM 79 CG ASP A 7 24.851 6.745 4.453 1.00 10.00 C ATOM 80 OD1 ASP A 7 24.830 5.828 3.607 1.00 10.00 O ATOM 81 OD2 ASP A 7 25.685 6.787 5.382 1.00 10.00 O ATOM 0 H ASP A 7 22.629 10.024 4.004 1.00 10.00 H new ATOM 0 HA ASP A 7 25.248 9.075 3.296 1.00 10.00 H new ATOM 0 HB2 ASP A 7 23.776 8.389 5.299 1.00 10.00 H new ATOM 0 HB3 ASP A 7 22.848 7.434 4.159 1.00 10.00 H new ATOM 86 N PRO A 8 24.932 7.915 1.100 1.00 10.00 N ATOM 87 CA PRO A 8 24.787 7.334 -0.240 1.00 10.00 C ATOM 88 C PRO A 8 24.154 5.943 -0.219 1.00 10.00 C ATOM 89 O PRO A 8 23.635 5.482 -1.228 1.00 10.00 O ATOM 90 CB PRO A 8 26.224 7.257 -0.762 1.00 10.00 C ATOM 91 CG PRO A 8 27.075 7.259 0.460 1.00 10.00 C ATOM 92 CD PRO A 8 26.347 8.110 1.459 1.00 10.00 C ATOM 0 HA PRO A 8 24.124 7.934 -0.863 1.00 10.00 H new ATOM 0 HB2 PRO A 8 26.382 6.355 -1.352 1.00 10.00 H new ATOM 0 HB3 PRO A 8 26.456 8.105 -1.407 1.00 10.00 H new ATOM 0 HG2 PRO A 8 27.219 6.247 0.839 1.00 10.00 H new ATOM 0 HG3 PRO A 8 28.064 7.664 0.248 1.00 10.00 H new ATOM 0 HD2 PRO A 8 26.550 7.793 2.482 1.00 10.00 H new ATOM 0 HD3 PRO A 8 26.640 9.157 1.386 1.00 10.00 H new ATOM 100 N ARG A 9 24.178 5.286 0.932 1.00 10.00 N ATOM 101 CA ARG A 9 23.616 3.948 1.051 1.00 10.00 C ATOM 102 C ARG A 9 22.162 3.998 1.495 1.00 10.00 C ATOM 103 O ARG A 9 21.375 3.110 1.173 1.00 10.00 O ATOM 104 CB ARG A 9 24.433 3.117 2.038 1.00 10.00 C ATOM 105 CG ARG A 9 25.884 2.956 1.623 1.00 10.00 C ATOM 106 CD ARG A 9 26.778 2.693 2.820 1.00 10.00 C ATOM 107 NE ARG A 9 26.797 3.825 3.745 1.00 10.00 N ATOM 108 CZ ARG A 9 27.771 4.052 4.622 1.00 10.00 C ATOM 109 NH1 ARG A 9 28.800 3.218 4.712 1.00 10.00 N ATOM 110 NH2 ARG A 9 27.710 5.114 5.413 1.00 10.00 N ATOM 0 H ARG A 9 24.579 5.656 1.794 1.00 10.00 H new ATOM 0 HA ARG A 9 23.656 3.480 0.067 1.00 10.00 H new ATOM 0 HB2 ARG A 9 24.392 3.587 3.020 1.00 10.00 H new ATOM 0 HB3 ARG A 9 23.978 2.131 2.137 1.00 10.00 H new ATOM 0 HG2 ARG A 9 25.972 2.133 0.914 1.00 10.00 H new ATOM 0 HG3 ARG A 9 26.219 3.857 1.108 1.00 10.00 H new ATOM 0 HD2 ARG A 9 26.431 1.802 3.344 1.00 10.00 H new ATOM 0 HD3 ARG A 9 27.792 2.487 2.478 1.00 10.00 H new ATOM 0 HE ARG A 9 26.016 4.480 3.716 1.00 10.00 H new ATOM 0 HH11 ARG A 9 28.847 2.398 4.107 1.00 10.00 H new ATOM 0 HH12 ARG A 9 29.544 3.397 5.386 1.00 10.00 H new ATOM 0 HH21 ARG A 9 26.918 5.754 5.348 1.00 10.00 H new ATOM 0 HH22 ARG A 9 28.455 5.292 6.087 1.00 10.00 H new ATOM 124 N LEU A 10 21.800 5.043 2.231 1.00 10.00 N ATOM 125 CA LEU A 10 20.433 5.188 2.711 1.00 10.00 C ATOM 126 C LEU A 10 19.554 5.836 1.646 1.00 10.00 C ATOM 127 O LEU A 10 18.347 5.602 1.593 1.00 10.00 O ATOM 128 CB LEU A 10 20.388 6.004 4.005 1.00 10.00 C ATOM 129 CG LEU A 10 19.037 5.995 4.734 1.00 10.00 C ATOM 130 CD1 LEU A 10 18.673 4.584 5.171 1.00 10.00 C ATOM 131 CD2 LEU A 10 19.068 6.933 5.930 1.00 10.00 C ATOM 0 H LEU A 10 22.430 5.797 2.506 1.00 10.00 H new ATOM 0 HA LEU A 10 20.046 4.191 2.923 1.00 10.00 H new ATOM 0 HB2 LEU A 10 21.152 5.623 4.683 1.00 10.00 H new ATOM 0 HB3 LEU A 10 20.652 7.036 3.775 1.00 10.00 H new ATOM 0 HG LEU A 10 18.273 6.347 4.041 1.00 10.00 H new ATOM 0 HD11 LEU A 10 17.712 4.599 5.686 1.00 10.00 H new ATOM 0 HD12 LEU A 10 18.606 3.938 4.296 1.00 10.00 H new ATOM 0 HD13 LEU A 10 19.440 4.203 5.845 1.00 10.00 H new ATOM 0 HD21 LEU A 10 18.101 6.913 6.434 1.00 10.00 H new ATOM 0 HD22 LEU A 10 19.845 6.613 6.624 1.00 10.00 H new ATOM 0 HD23 LEU A 10 19.279 7.947 5.592 1.00 10.00 H new ATOM 143 N ILE A 11 20.164 6.648 0.796 1.00 10.00 N ATOM 144 CA ILE A 11 19.432 7.315 -0.268 1.00 10.00 C ATOM 145 C ILE A 11 19.162 6.348 -1.418 1.00 10.00 C ATOM 146 O ILE A 11 18.208 6.511 -2.181 1.00 10.00 O ATOM 147 CB ILE A 11 20.195 8.561 -0.783 1.00 10.00 C ATOM 148 CG1 ILE A 11 19.294 9.415 -1.677 1.00 10.00 C ATOM 149 CG2 ILE A 11 21.459 8.156 -1.531 1.00 10.00 C ATOM 150 CD1 ILE A 11 19.862 10.786 -1.977 1.00 10.00 C ATOM 0 H ILE A 11 21.161 6.860 0.823 1.00 10.00 H new ATOM 0 HA ILE A 11 18.480 7.650 0.143 1.00 10.00 H new ATOM 0 HB ILE A 11 20.488 9.157 0.082 1.00 10.00 H new ATOM 0 HG12 ILE A 11 19.123 8.888 -2.616 1.00 10.00 H new ATOM 0 HG13 ILE A 11 18.323 9.531 -1.195 1.00 10.00 H new ATOM 0 HG21 ILE A 11 21.976 9.049 -1.882 1.00 10.00 H new ATOM 0 HG22 ILE A 11 22.114 7.597 -0.863 1.00 10.00 H new ATOM 0 HG23 ILE A 11 21.193 7.532 -2.384 1.00 10.00 H new ATOM 0 HD11 ILE A 11 19.170 11.335 -2.615 1.00 10.00 H new ATOM 0 HD12 ILE A 11 20.006 11.332 -1.045 1.00 10.00 H new ATOM 0 HD13 ILE A 11 20.819 10.680 -2.487 1.00 10.00 H new ATOM 162 N GLU A 12 19.986 5.308 -1.510 1.00 10.00 N ATOM 163 CA GLU A 12 19.843 4.318 -2.569 1.00 10.00 C ATOM 164 C GLU A 12 18.723 3.331 -2.268 1.00 10.00 C ATOM 165 O GLU A 12 18.298 2.587 -3.150 1.00 10.00 O ATOM 166 CB GLU A 12 21.159 3.576 -2.799 1.00 10.00 C ATOM 167 CG GLU A 12 22.150 4.357 -3.645 1.00 10.00 C ATOM 168 CD GLU A 12 21.505 4.968 -4.871 1.00 10.00 C ATOM 169 OE1 GLU A 12 21.022 4.209 -5.736 1.00 10.00 O ATOM 170 OE2 GLU A 12 21.478 6.212 -4.977 1.00 10.00 O ATOM 0 H GLU A 12 20.757 5.131 -0.866 1.00 10.00 H new ATOM 0 HA GLU A 12 19.579 4.853 -3.481 1.00 10.00 H new ATOM 0 HB2 GLU A 12 21.614 3.350 -1.835 1.00 10.00 H new ATOM 0 HB3 GLU A 12 20.950 2.622 -3.284 1.00 10.00 H new ATOM 0 HG2 GLU A 12 22.597 5.147 -3.041 1.00 10.00 H new ATOM 0 HG3 GLU A 12 22.960 3.696 -3.955 1.00 10.00 H new ATOM 177 N SER A 13 18.243 3.324 -1.030 1.00 10.00 N ATOM 178 CA SER A 13 17.157 2.431 -0.645 1.00 10.00 C ATOM 179 C SER A 13 15.917 2.729 -1.486 1.00 10.00 C ATOM 180 O SER A 13 15.121 1.837 -1.787 1.00 10.00 O ATOM 181 CB SER A 13 16.851 2.593 0.845 1.00 10.00 C ATOM 182 OG SER A 13 18.045 2.539 1.611 1.00 10.00 O ATOM 0 H SER A 13 18.586 3.923 -0.279 1.00 10.00 H new ATOM 0 HA SER A 13 17.458 1.399 -0.825 1.00 10.00 H new ATOM 0 HB2 SER A 13 16.346 3.544 1.016 1.00 10.00 H new ATOM 0 HB3 SER A 13 16.169 1.807 1.169 1.00 10.00 H new ATOM 0 HG SER A 13 18.353 3.450 1.801 1.00 10.00 H new ATOM 188 N LEU A 14 15.780 3.988 -1.889 1.00 10.00 N ATOM 189 CA LEU A 14 14.660 4.417 -2.711 1.00 10.00 C ATOM 190 C LEU A 14 14.818 3.863 -4.124 1.00 10.00 C ATOM 191 O LEU A 14 13.886 3.281 -4.683 1.00 10.00 O ATOM 192 CB LEU A 14 14.568 5.947 -2.750 1.00 10.00 C ATOM 193 CG LEU A 14 14.107 6.620 -1.449 1.00 10.00 C ATOM 194 CD1 LEU A 14 15.256 6.742 -0.461 1.00 10.00 C ATOM 195 CD2 LEU A 14 13.507 7.988 -1.741 1.00 10.00 C ATOM 0 H LEU A 14 16.437 4.732 -1.656 1.00 10.00 H new ATOM 0 HA LEU A 14 13.739 4.032 -2.274 1.00 10.00 H new ATOM 0 HB2 LEU A 14 15.547 6.345 -3.016 1.00 10.00 H new ATOM 0 HB3 LEU A 14 13.881 6.231 -3.547 1.00 10.00 H new ATOM 0 HG LEU A 14 13.339 5.992 -0.997 1.00 10.00 H new ATOM 0 HD11 LEU A 14 14.902 7.222 0.451 1.00 10.00 H new ATOM 0 HD12 LEU A 14 15.639 5.749 -0.224 1.00 10.00 H new ATOM 0 HD13 LEU A 14 16.052 7.342 -0.901 1.00 10.00 H new ATOM 0 HD21 LEU A 14 13.185 8.451 -0.808 1.00 10.00 H new ATOM 0 HD22 LEU A 14 14.256 8.619 -2.220 1.00 10.00 H new ATOM 0 HD23 LEU A 14 12.649 7.875 -2.404 1.00 10.00 H new ATOM 207 N SER A 15 16.013 4.024 -4.686 1.00 10.00 N ATOM 208 CA SER A 15 16.299 3.536 -6.029 1.00 10.00 C ATOM 209 C SER A 15 16.228 2.010 -6.072 1.00 10.00 C ATOM 210 O SER A 15 15.844 1.428 -7.085 1.00 10.00 O ATOM 211 CB SER A 15 17.680 4.009 -6.479 1.00 10.00 C ATOM 212 OG SER A 15 18.285 4.825 -5.489 1.00 10.00 O ATOM 0 H SER A 15 16.798 4.489 -4.231 1.00 10.00 H new ATOM 0 HA SER A 15 15.548 3.938 -6.709 1.00 10.00 H new ATOM 0 HB2 SER A 15 18.315 3.147 -6.683 1.00 10.00 H new ATOM 0 HB3 SER A 15 17.591 4.567 -7.411 1.00 10.00 H new ATOM 0 HG SER A 15 19.260 4.765 -5.567 1.00 10.00 H new ATOM 218 N GLN A 16 16.592 1.371 -4.961 1.00 10.00 N ATOM 219 CA GLN A 16 16.559 -0.085 -4.866 1.00 10.00 C ATOM 220 C GLN A 16 15.150 -0.606 -5.127 1.00 10.00 C ATOM 221 O GLN A 16 14.967 -1.579 -5.858 1.00 10.00 O ATOM 222 CB GLN A 16 17.044 -0.540 -3.487 1.00 10.00 C ATOM 223 CG GLN A 16 17.028 -2.049 -3.298 1.00 10.00 C ATOM 224 CD GLN A 16 17.927 -2.779 -4.276 1.00 10.00 C ATOM 225 OE1 GLN A 16 19.103 -3.012 -4.003 1.00 10.00 O ATOM 226 NE2 GLN A 16 17.379 -3.151 -5.418 1.00 10.00 N ATOM 0 H GLN A 16 16.913 1.840 -4.114 1.00 10.00 H new ATOM 0 HA GLN A 16 17.226 -0.494 -5.624 1.00 10.00 H new ATOM 0 HB2 GLN A 16 18.059 -0.174 -3.330 1.00 10.00 H new ATOM 0 HB3 GLN A 16 16.418 -0.081 -2.722 1.00 10.00 H new ATOM 0 HG2 GLN A 16 17.340 -2.285 -2.281 1.00 10.00 H new ATOM 0 HG3 GLN A 16 16.007 -2.413 -3.411 1.00 10.00 H new ATOM 0 HE21 GLN A 16 16.399 -2.939 -5.607 1.00 10.00 H new ATOM 0 HE22 GLN A 16 17.935 -3.651 -6.112 1.00 10.00 H new ATOM 235 N MET A 17 14.159 0.049 -4.532 1.00 10.00 N ATOM 236 CA MET A 17 12.769 -0.349 -4.716 1.00 10.00 C ATOM 237 C MET A 17 12.356 -0.141 -6.169 1.00 10.00 C ATOM 238 O MET A 17 11.663 -0.971 -6.759 1.00 10.00 O ATOM 239 CB MET A 17 11.846 0.450 -3.790 1.00 10.00 C ATOM 240 CG MET A 17 12.107 0.211 -2.310 1.00 10.00 C ATOM 241 SD MET A 17 11.945 -1.526 -1.843 1.00 10.00 S ATOM 242 CE MET A 17 10.179 -1.772 -2.018 1.00 10.00 C ATOM 0 H MET A 17 14.292 0.855 -3.921 1.00 10.00 H new ATOM 0 HA MET A 17 12.678 -1.405 -4.464 1.00 10.00 H new ATOM 0 HB2 MET A 17 11.963 1.512 -4.003 1.00 10.00 H new ATOM 0 HB3 MET A 17 10.811 0.192 -4.013 1.00 10.00 H new ATOM 0 HG2 MET A 17 13.110 0.557 -2.062 1.00 10.00 H new ATOM 0 HG3 MET A 17 11.410 0.807 -1.722 1.00 10.00 H new ATOM 0 HE1 MET A 17 9.903 -2.739 -1.597 1.00 10.00 H new ATOM 0 HE2 MET A 17 9.647 -0.981 -1.490 1.00 10.00 H new ATOM 0 HE3 MET A 17 9.911 -1.747 -3.074 1.00 10.00 H new ATOM 252 N LEU A 18 12.819 0.962 -6.739 1.00 10.00 N ATOM 253 CA LEU A 18 12.527 1.301 -8.126 1.00 10.00 C ATOM 254 C LEU A 18 13.133 0.261 -9.066 1.00 10.00 C ATOM 255 O LEU A 18 12.488 -0.189 -10.014 1.00 10.00 O ATOM 256 CB LEU A 18 13.074 2.699 -8.447 1.00 10.00 C ATOM 257 CG LEU A 18 12.740 3.242 -9.839 1.00 10.00 C ATOM 258 CD1 LEU A 18 11.239 3.428 -9.997 1.00 10.00 C ATOM 259 CD2 LEU A 18 13.464 4.557 -10.077 1.00 10.00 C ATOM 0 H LEU A 18 13.404 1.644 -6.257 1.00 10.00 H new ATOM 0 HA LEU A 18 11.447 1.304 -8.270 1.00 10.00 H new ATOM 0 HB2 LEU A 18 12.691 3.398 -7.704 1.00 10.00 H new ATOM 0 HB3 LEU A 18 14.158 2.679 -8.336 1.00 10.00 H new ATOM 0 HG LEU A 18 13.075 2.518 -10.581 1.00 10.00 H new ATOM 0 HD11 LEU A 18 11.023 3.815 -10.993 1.00 10.00 H new ATOM 0 HD12 LEU A 18 10.738 2.469 -9.863 1.00 10.00 H new ATOM 0 HD13 LEU A 18 10.879 4.133 -9.248 1.00 10.00 H new ATOM 0 HD21 LEU A 18 13.218 4.933 -11.070 1.00 10.00 H new ATOM 0 HD22 LEU A 18 13.154 5.284 -9.327 1.00 10.00 H new ATOM 0 HD23 LEU A 18 14.540 4.398 -10.005 1.00 10.00 H new ATOM 271 N SER A 19 14.372 -0.125 -8.777 1.00 10.00 N ATOM 272 CA SER A 19 15.081 -1.123 -9.569 1.00 10.00 C ATOM 273 C SER A 19 14.422 -2.495 -9.403 1.00 10.00 C ATOM 274 O SER A 19 14.415 -3.310 -10.324 1.00 10.00 O ATOM 275 CB SER A 19 16.551 -1.180 -9.138 1.00 10.00 C ATOM 276 OG SER A 19 17.323 -1.999 -10.001 1.00 10.00 O ATOM 0 H SER A 19 14.910 0.243 -7.992 1.00 10.00 H new ATOM 0 HA SER A 19 15.033 -0.842 -10.621 1.00 10.00 H new ATOM 0 HB2 SER A 19 16.966 -0.172 -9.127 1.00 10.00 H new ATOM 0 HB3 SER A 19 16.616 -1.563 -8.119 1.00 10.00 H new ATOM 0 HG SER A 19 18.254 -2.010 -9.696 1.00 10.00 H new ATOM 282 N MET A 20 13.859 -2.732 -8.222 1.00 10.00 N ATOM 283 CA MET A 20 13.184 -3.990 -7.921 1.00 10.00 C ATOM 284 C MET A 20 11.913 -4.122 -8.754 1.00 10.00 C ATOM 285 O MET A 20 11.494 -5.225 -9.101 1.00 10.00 O ATOM 286 CB MET A 20 12.841 -4.062 -6.429 1.00 10.00 C ATOM 287 CG MET A 20 12.153 -5.352 -6.020 1.00 10.00 C ATOM 288 SD MET A 20 11.522 -5.295 -4.330 1.00 10.00 S ATOM 289 CE MET A 20 13.043 -5.083 -3.406 1.00 10.00 C ATOM 0 H MET A 20 13.857 -2.063 -7.452 1.00 10.00 H new ATOM 0 HA MET A 20 13.855 -4.812 -8.170 1.00 10.00 H new ATOM 0 HB2 MET A 20 13.757 -3.950 -5.849 1.00 10.00 H new ATOM 0 HB3 MET A 20 12.197 -3.221 -6.173 1.00 10.00 H new ATOM 0 HG2 MET A 20 11.329 -5.553 -6.705 1.00 10.00 H new ATOM 0 HG3 MET A 20 12.856 -6.180 -6.114 1.00 10.00 H new ATOM 0 HE1 MET A 20 12.883 -5.380 -2.369 1.00 10.00 H new ATOM 0 HE2 MET A 20 13.825 -5.703 -3.845 1.00 10.00 H new ATOM 0 HE3 MET A 20 13.347 -4.037 -3.441 1.00 10.00 H new ATOM 299 N GLY A 21 11.319 -2.984 -9.074 1.00 10.00 N ATOM 300 CA GLY A 21 10.107 -2.976 -9.861 1.00 10.00 C ATOM 301 C GLY A 21 8.923 -2.476 -9.065 1.00 10.00 C ATOM 302 O GLY A 21 7.774 -2.737 -9.416 1.00 10.00 O ATOM 0 H GLY A 21 11.657 -2.061 -8.801 1.00 10.00 H new ATOM 0 HA2 GLY A 21 10.248 -2.345 -10.738 1.00 10.00 H new ATOM 0 HA3 GLY A 21 9.902 -3.984 -10.223 1.00 10.00 H new ATOM 306 N PHE A 22 9.200 -1.764 -7.983 1.00 10.00 N ATOM 307 CA PHE A 22 8.148 -1.224 -7.141 1.00 10.00 C ATOM 308 C PHE A 22 8.099 0.290 -7.264 1.00 10.00 C ATOM 309 O PHE A 22 9.101 0.977 -7.060 1.00 10.00 O ATOM 310 CB PHE A 22 8.358 -1.634 -5.682 1.00 10.00 C ATOM 311 CG PHE A 22 7.688 -2.930 -5.329 1.00 10.00 C ATOM 312 CD1 PHE A 22 8.185 -4.132 -5.801 1.00 10.00 C ATOM 313 CD2 PHE A 22 6.559 -2.942 -4.526 1.00 10.00 C ATOM 314 CE1 PHE A 22 7.566 -5.325 -5.480 1.00 10.00 C ATOM 315 CE2 PHE A 22 5.938 -4.131 -4.204 1.00 10.00 C ATOM 316 CZ PHE A 22 6.442 -5.323 -4.680 1.00 10.00 C ATOM 0 H PHE A 22 10.146 -1.548 -7.669 1.00 10.00 H new ATOM 0 HA PHE A 22 7.195 -1.633 -7.477 1.00 10.00 H new ATOM 0 HB2 PHE A 22 9.427 -1.720 -5.486 1.00 10.00 H new ATOM 0 HB3 PHE A 22 7.977 -0.847 -5.032 1.00 10.00 H new ATOM 0 HD1 PHE A 22 9.065 -4.138 -6.426 1.00 10.00 H new ATOM 0 HD2 PHE A 22 6.161 -2.012 -4.149 1.00 10.00 H new ATOM 0 HE1 PHE A 22 7.961 -6.257 -5.855 1.00 10.00 H new ATOM 0 HE2 PHE A 22 5.057 -4.128 -3.579 1.00 10.00 H new ATOM 0 HZ PHE A 22 5.957 -6.254 -4.427 1.00 10.00 H new ATOM 326 N SER A 23 6.939 0.796 -7.638 1.00 10.00 N ATOM 327 CA SER A 23 6.727 2.223 -7.798 1.00 10.00 C ATOM 328 C SER A 23 5.259 2.545 -7.561 1.00 10.00 C ATOM 329 O SER A 23 4.393 1.688 -7.742 1.00 10.00 O ATOM 330 CB SER A 23 7.143 2.666 -9.205 1.00 10.00 C ATOM 331 OG SER A 23 8.354 2.036 -9.608 1.00 10.00 O ATOM 0 H SER A 23 6.116 0.229 -7.840 1.00 10.00 H new ATOM 0 HA SER A 23 7.337 2.760 -7.072 1.00 10.00 H new ATOM 0 HB2 SER A 23 6.351 2.424 -9.914 1.00 10.00 H new ATOM 0 HB3 SER A 23 7.269 3.748 -9.225 1.00 10.00 H new ATOM 0 HG SER A 23 8.594 2.336 -10.509 1.00 10.00 H new ATOM 337 N ASP A 24 4.974 3.763 -7.141 1.00 10.00 N ATOM 338 CA ASP A 24 3.601 4.160 -6.894 1.00 10.00 C ATOM 339 C ASP A 24 3.104 5.087 -7.989 1.00 10.00 C ATOM 340 O ASP A 24 3.894 5.712 -8.699 1.00 10.00 O ATOM 341 CB ASP A 24 3.442 4.825 -5.519 1.00 10.00 C ATOM 342 CG ASP A 24 4.251 6.101 -5.346 1.00 10.00 C ATOM 343 OD1 ASP A 24 4.120 7.019 -6.180 1.00 10.00 O ATOM 344 OD2 ASP A 24 4.984 6.204 -4.342 1.00 10.00 O ATOM 0 H ASP A 24 5.668 4.489 -6.965 1.00 10.00 H new ATOM 0 HA ASP A 24 2.994 3.254 -6.899 1.00 10.00 H new ATOM 0 HB2 ASP A 24 2.388 5.052 -5.357 1.00 10.00 H new ATOM 0 HB3 ASP A 24 3.737 4.114 -4.748 1.00 10.00 H new ATOM 349 N GLU A 25 1.794 5.136 -8.146 1.00 10.00 N ATOM 350 CA GLU A 25 1.174 5.994 -9.137 1.00 10.00 C ATOM 351 C GLU A 25 0.432 7.128 -8.443 1.00 10.00 C ATOM 352 O GLU A 25 0.277 8.219 -8.991 1.00 10.00 O ATOM 353 CB GLU A 25 0.211 5.194 -10.030 1.00 10.00 C ATOM 354 CG GLU A 25 0.270 3.683 -9.828 1.00 10.00 C ATOM 355 CD GLU A 25 -0.588 3.202 -8.672 1.00 10.00 C ATOM 356 OE1 GLU A 25 -0.183 3.389 -7.502 1.00 10.00 O ATOM 357 OE2 GLU A 25 -1.672 2.636 -8.933 1.00 10.00 O ATOM 0 H GLU A 25 1.135 4.587 -7.595 1.00 10.00 H new ATOM 0 HA GLU A 25 1.955 6.412 -9.773 1.00 10.00 H new ATOM 0 HB2 GLU A 25 -0.807 5.534 -9.841 1.00 10.00 H new ATOM 0 HB3 GLU A 25 0.433 5.417 -11.074 1.00 10.00 H new ATOM 0 HG2 GLU A 25 -0.053 3.187 -10.743 1.00 10.00 H new ATOM 0 HG3 GLU A 25 1.304 3.386 -9.653 1.00 10.00 H new ATOM 364 N GLY A 26 -0.023 6.859 -7.225 1.00 10.00 N ATOM 365 CA GLY A 26 -0.732 7.863 -6.459 1.00 10.00 C ATOM 366 C GLY A 26 0.130 8.467 -5.368 1.00 10.00 C ATOM 367 O GLY A 26 -0.353 9.243 -4.546 1.00 10.00 O ATOM 0 H GLY A 26 0.087 5.961 -6.754 1.00 10.00 H new ATOM 0 HA2 GLY A 26 -1.074 8.653 -7.128 1.00 10.00 H new ATOM 0 HA3 GLY A 26 -1.620 7.416 -6.012 1.00 10.00 H new ATOM 371 N GLY A 27 1.411 8.111 -5.363 1.00 10.00 N ATOM 372 CA GLY A 27 2.323 8.626 -4.357 1.00 10.00 C ATOM 373 C GLY A 27 2.087 8.007 -2.997 1.00 10.00 C ATOM 374 O GLY A 27 2.192 8.686 -1.975 1.00 10.00 O ATOM 0 H GLY A 27 1.834 7.474 -6.038 1.00 10.00 H new ATOM 0 HA2 GLY A 27 3.350 8.433 -4.668 1.00 10.00 H new ATOM 0 HA3 GLY A 27 2.209 9.708 -4.286 1.00 10.00 H new ATOM 378 N TRP A 28 1.769 6.719 -2.978 1.00 10.00 N ATOM 379 CA TRP A 28 1.510 6.024 -1.727 1.00 10.00 C ATOM 380 C TRP A 28 2.743 5.274 -1.214 1.00 10.00 C ATOM 381 O TRP A 28 2.971 5.205 -0.004 1.00 10.00 O ATOM 382 CB TRP A 28 0.312 5.074 -1.867 1.00 10.00 C ATOM 383 CG TRP A 28 0.468 4.002 -2.909 1.00 10.00 C ATOM 384 CD1 TRP A 28 0.148 4.088 -4.232 1.00 10.00 C ATOM 385 CD2 TRP A 28 0.958 2.671 -2.698 1.00 10.00 C ATOM 386 NE1 TRP A 28 0.419 2.898 -4.861 1.00 10.00 N ATOM 387 CE2 TRP A 28 0.917 2.009 -3.939 1.00 10.00 C ATOM 388 CE3 TRP A 28 1.435 1.979 -1.580 1.00 10.00 C ATOM 389 CZ2 TRP A 28 1.328 0.684 -4.090 1.00 10.00 C ATOM 390 CZ3 TRP A 28 1.842 0.668 -1.729 1.00 10.00 C ATOM 391 CH2 TRP A 28 1.789 0.032 -2.975 1.00 10.00 C ATOM 0 H TRP A 28 1.685 6.138 -3.812 1.00 10.00 H new ATOM 0 HA TRP A 28 1.266 6.784 -0.984 1.00 10.00 H new ATOM 0 HB2 TRP A 28 0.130 4.599 -0.903 1.00 10.00 H new ATOM 0 HB3 TRP A 28 -0.574 5.663 -2.104 1.00 10.00 H new ATOM 0 HD1 TRP A 28 -0.259 4.964 -4.714 1.00 10.00 H new ATOM 0 HE1 TRP A 28 0.274 2.705 -5.852 1.00 10.00 H new ATOM 0 HE3 TRP A 28 1.484 2.462 -0.615 1.00 10.00 H new ATOM 0 HZ2 TRP A 28 1.285 0.190 -5.050 1.00 10.00 H new ATOM 0 HZ3 TRP A 28 2.207 0.124 -0.870 1.00 10.00 H new ATOM 0 HH2 TRP A 28 2.118 -0.993 -3.060 1.00 10.00 H new ATOM 402 N LEU A 29 3.551 4.735 -2.123 1.00 10.00 N ATOM 403 CA LEU A 29 4.744 3.992 -1.731 1.00 10.00 C ATOM 404 C LEU A 29 5.761 4.933 -1.096 1.00 10.00 C ATOM 405 O LEU A 29 6.412 4.587 -0.108 1.00 10.00 O ATOM 406 CB LEU A 29 5.365 3.279 -2.938 1.00 10.00 C ATOM 407 CG LEU A 29 6.589 2.413 -2.621 1.00 10.00 C ATOM 408 CD1 LEU A 29 6.177 1.157 -1.868 1.00 10.00 C ATOM 409 CD2 LEU A 29 7.331 2.049 -3.898 1.00 10.00 C ATOM 0 H LEU A 29 3.402 4.798 -3.130 1.00 10.00 H new ATOM 0 HA LEU A 29 4.453 3.237 -1.001 1.00 10.00 H new ATOM 0 HB2 LEU A 29 4.604 2.650 -3.400 1.00 10.00 H new ATOM 0 HB3 LEU A 29 5.651 4.029 -3.676 1.00 10.00 H new ATOM 0 HG LEU A 29 7.260 2.990 -1.985 1.00 10.00 H new ATOM 0 HD11 LEU A 29 7.060 0.556 -1.652 1.00 10.00 H new ATOM 0 HD12 LEU A 29 5.691 1.436 -0.933 1.00 10.00 H new ATOM 0 HD13 LEU A 29 5.484 0.578 -2.478 1.00 10.00 H new ATOM 0 HD21 LEU A 29 8.197 1.434 -3.653 1.00 10.00 H new ATOM 0 HD22 LEU A 29 6.666 1.493 -4.559 1.00 10.00 H new ATOM 0 HD23 LEU A 29 7.662 2.959 -4.398 1.00 10.00 H new ATOM 421 N THR A 30 5.873 6.129 -1.660 1.00 10.00 N ATOM 422 CA THR A 30 6.793 7.144 -1.158 1.00 10.00 C ATOM 423 C THR A 30 6.420 7.571 0.268 1.00 10.00 C ATOM 424 O THR A 30 7.213 8.206 0.966 1.00 10.00 O ATOM 425 CB THR A 30 6.821 8.379 -2.092 1.00 10.00 C ATOM 426 OG1 THR A 30 7.883 9.266 -1.719 1.00 10.00 O ATOM 427 CG2 THR A 30 5.496 9.133 -2.050 1.00 10.00 C ATOM 0 H THR A 30 5.332 6.423 -2.474 1.00 10.00 H new ATOM 0 HA THR A 30 7.789 6.702 -1.137 1.00 10.00 H new ATOM 0 HB THR A 30 6.987 8.019 -3.107 1.00 10.00 H new ATOM 0 HG1 THR A 30 7.998 9.248 -0.746 1.00 10.00 H new ATOM 0 HG21 THR A 30 5.546 9.995 -2.716 1.00 10.00 H new ATOM 0 HG22 THR A 30 4.691 8.472 -2.372 1.00 10.00 H new ATOM 0 HG23 THR A 30 5.302 9.472 -1.032 1.00 10.00 H new ATOM 435 N ARG A 31 5.212 7.211 0.695 1.00 10.00 N ATOM 436 CA ARG A 31 4.730 7.548 2.029 1.00 10.00 C ATOM 437 C ARG A 31 4.995 6.405 3.001 1.00 10.00 C ATOM 438 O ARG A 31 5.399 6.627 4.142 1.00 10.00 O ATOM 439 CB ARG A 31 3.231 7.854 1.988 1.00 10.00 C ATOM 440 CG ARG A 31 2.876 9.010 1.071 1.00 10.00 C ATOM 441 CD ARG A 31 3.046 10.346 1.767 1.00 10.00 C ATOM 442 NE ARG A 31 1.835 10.739 2.485 1.00 10.00 N ATOM 443 CZ ARG A 31 1.248 11.930 2.372 1.00 10.00 C ATOM 444 NH1 ARG A 31 1.771 12.870 1.592 1.00 10.00 N ATOM 445 NH2 ARG A 31 0.134 12.174 3.048 1.00 10.00 N ATOM 0 H ARG A 31 4.546 6.683 0.131 1.00 10.00 H new ATOM 0 HA ARG A 31 5.267 8.432 2.373 1.00 10.00 H new ATOM 0 HB2 ARG A 31 2.695 6.963 1.661 1.00 10.00 H new ATOM 0 HB3 ARG A 31 2.887 8.081 2.997 1.00 10.00 H new ATOM 0 HG2 ARG A 31 3.508 8.978 0.183 1.00 10.00 H new ATOM 0 HG3 ARG A 31 1.845 8.904 0.733 1.00 10.00 H new ATOM 0 HD2 ARG A 31 3.881 10.289 2.465 1.00 10.00 H new ATOM 0 HD3 ARG A 31 3.297 11.110 1.032 1.00 10.00 H new ATOM 0 HE ARG A 31 1.411 10.057 3.114 1.00 10.00 H new ATOM 0 HH11 ARG A 31 2.629 12.683 1.073 1.00 10.00 H new ATOM 0 HH12 ARG A 31 1.314 13.779 1.512 1.00 10.00 H new ATOM 0 HH21 ARG A 31 -0.267 11.453 3.648 1.00 10.00 H new ATOM 0 HH22 ARG A 31 -0.322 13.083 2.968 1.00 10.00 H new ATOM 459 N LEU A 32 4.785 5.180 2.532 1.00 10.00 N ATOM 460 CA LEU A 32 4.981 3.989 3.356 1.00 10.00 C ATOM 461 C LEU A 32 6.432 3.865 3.816 1.00 10.00 C ATOM 462 O LEU A 32 6.711 3.380 4.911 1.00 10.00 O ATOM 463 CB LEU A 32 4.562 2.741 2.578 1.00 10.00 C ATOM 464 CG LEU A 32 4.219 1.527 3.440 1.00 10.00 C ATOM 465 CD1 LEU A 32 2.843 1.686 4.070 1.00 10.00 C ATOM 466 CD2 LEU A 32 4.286 0.250 2.620 1.00 10.00 C ATOM 0 H LEU A 32 4.477 4.983 1.580 1.00 10.00 H new ATOM 0 HA LEU A 32 4.357 4.084 4.244 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.696 2.988 1.964 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.368 2.468 1.897 1.00 10.00 H new ATOM 0 HG LEU A 32 4.956 1.459 4.240 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.619 0.811 4.680 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.831 2.578 4.697 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.093 1.784 3.285 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.038 -0.602 3.253 1.00 10.00 H new ATOM 0 HD22 LEU A 32 3.575 0.309 1.796 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.293 0.126 2.222 1.00 10.00 H new ATOM 478 N LEU A 33 7.352 4.331 2.979 1.00 10.00 N ATOM 479 CA LEU A 33 8.776 4.278 3.298 1.00 10.00 C ATOM 480 C LEU A 33 9.125 5.274 4.399 1.00 10.00 C ATOM 481 O LEU A 33 10.237 5.281 4.924 1.00 10.00 O ATOM 482 CB LEU A 33 9.608 4.574 2.051 1.00 10.00 C ATOM 483 CG LEU A 33 9.471 3.556 0.919 1.00 10.00 C ATOM 484 CD1 LEU A 33 10.261 4.023 -0.291 1.00 10.00 C ATOM 485 CD2 LEU A 33 9.941 2.182 1.371 1.00 10.00 C ATOM 0 H LEU A 33 7.138 4.750 2.074 1.00 10.00 H new ATOM 0 HA LEU A 33 9.006 3.274 3.654 1.00 10.00 H new ATOM 0 HB2 LEU A 33 9.326 5.556 1.671 1.00 10.00 H new ATOM 0 HB3 LEU A 33 10.657 4.633 2.340 1.00 10.00 H new ATOM 0 HG LEU A 33 8.420 3.476 0.643 1.00 10.00 H new ATOM 0 HD11 LEU A 33 10.160 3.294 -1.095 1.00 10.00 H new ATOM 0 HD12 LEU A 33 9.878 4.987 -0.625 1.00 10.00 H new ATOM 0 HD13 LEU A 33 11.313 4.124 -0.022 1.00 10.00 H new ATOM 0 HD21 LEU A 33 9.835 1.473 0.550 1.00 10.00 H new ATOM 0 HD22 LEU A 33 10.988 2.236 1.671 1.00 10.00 H new ATOM 0 HD23 LEU A 33 9.338 1.851 2.217 1.00 10.00 H new ATOM 497 N GLN A 34 8.188 6.154 4.708 1.00 10.00 N ATOM 498 CA GLN A 34 8.397 7.138 5.756 1.00 10.00 C ATOM 499 C GLN A 34 7.815 6.641 7.072 1.00 10.00 C ATOM 500 O GLN A 34 8.414 6.805 8.137 1.00 10.00 O ATOM 501 CB GLN A 34 7.765 8.479 5.370 1.00 10.00 C ATOM 502 CG GLN A 34 8.367 9.110 4.123 1.00 10.00 C ATOM 503 CD GLN A 34 9.813 9.515 4.310 1.00 10.00 C ATOM 504 OE1 GLN A 34 10.107 10.622 4.758 1.00 10.00 O ATOM 505 NE2 GLN A 34 10.728 8.626 3.964 1.00 10.00 N ATOM 0 H GLN A 34 7.278 6.207 4.250 1.00 10.00 H new ATOM 0 HA GLN A 34 9.470 7.285 5.881 1.00 10.00 H new ATOM 0 HB2 GLN A 34 6.696 8.333 5.211 1.00 10.00 H new ATOM 0 HB3 GLN A 34 7.872 9.173 6.204 1.00 10.00 H new ATOM 0 HG2 GLN A 34 8.296 8.405 3.294 1.00 10.00 H new ATOM 0 HG3 GLN A 34 7.782 9.987 3.846 1.00 10.00 H new ATOM 0 HE21 GLN A 34 10.444 7.718 3.596 1.00 10.00 H new ATOM 0 HE22 GLN A 34 11.718 8.848 4.065 1.00 10.00 H new ATOM 514 N THR A 35 6.651 6.015 6.985 1.00 10.00 N ATOM 515 CA THR A 35 5.963 5.512 8.164 1.00 10.00 C ATOM 516 C THR A 35 6.551 4.189 8.655 1.00 10.00 C ATOM 517 O THR A 35 6.593 3.932 9.859 1.00 10.00 O ATOM 518 CB THR A 35 4.454 5.343 7.895 1.00 10.00 C ATOM 519 OG1 THR A 35 4.241 4.618 6.676 1.00 10.00 O ATOM 520 CG2 THR A 35 3.770 6.699 7.806 1.00 10.00 C ATOM 0 H THR A 35 6.162 5.843 6.107 1.00 10.00 H new ATOM 0 HA THR A 35 6.106 6.255 8.948 1.00 10.00 H new ATOM 0 HB THR A 35 4.024 4.783 8.725 1.00 10.00 H new ATOM 0 HG1 THR A 35 3.461 4.033 6.775 1.00 10.00 H new ATOM 0 HG21 THR A 35 2.706 6.558 7.616 1.00 10.00 H new ATOM 0 HG22 THR A 35 3.903 7.236 8.745 1.00 10.00 H new ATOM 0 HG23 THR A 35 4.211 7.276 6.993 1.00 10.00 H new ATOM 528 N LYS A 36 7.015 3.359 7.732 1.00 10.00 N ATOM 529 CA LYS A 36 7.583 2.064 8.092 1.00 10.00 C ATOM 530 C LYS A 36 9.088 2.009 7.832 1.00 10.00 C ATOM 531 O LYS A 36 9.669 0.923 7.756 1.00 10.00 O ATOM 532 CB LYS A 36 6.870 0.949 7.334 1.00 10.00 C ATOM 533 CG LYS A 36 5.599 0.482 8.018 1.00 10.00 C ATOM 534 CD LYS A 36 4.444 0.374 7.043 1.00 10.00 C ATOM 535 CE LYS A 36 3.152 0.015 7.756 1.00 10.00 C ATOM 536 NZ LYS A 36 2.760 1.045 8.755 1.00 10.00 N ATOM 0 H LYS A 36 7.010 3.556 6.731 1.00 10.00 H new ATOM 0 HA LYS A 36 7.433 1.923 9.162 1.00 10.00 H new ATOM 0 HB2 LYS A 36 6.628 1.298 6.330 1.00 10.00 H new ATOM 0 HB3 LYS A 36 7.548 0.103 7.223 1.00 10.00 H new ATOM 0 HG2 LYS A 36 5.772 -0.487 8.485 1.00 10.00 H new ATOM 0 HG3 LYS A 36 5.338 1.178 8.815 1.00 10.00 H new ATOM 0 HD2 LYS A 36 4.320 1.320 6.516 1.00 10.00 H new ATOM 0 HD3 LYS A 36 4.669 -0.382 6.291 1.00 10.00 H new ATOM 0 HE2 LYS A 36 2.354 -0.101 7.023 1.00 10.00 H new ATOM 0 HE3 LYS A 36 3.269 -0.947 8.255 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 1.779 0.880 9.057 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 3.391 0.986 9.580 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 2.836 1.990 8.328 1.00 10.00 H new ATOM 550 N ASN A 37 9.702 3.184 7.712 1.00 10.00 N ATOM 551 CA ASN A 37 11.146 3.313 7.482 1.00 10.00 C ATOM 552 C ASN A 37 11.548 2.801 6.098 1.00 10.00 C ATOM 553 O ASN A 37 10.706 2.383 5.306 1.00 10.00 O ATOM 554 CB ASN A 37 11.941 2.576 8.572 1.00 10.00 C ATOM 555 CG ASN A 37 13.301 3.196 8.827 1.00 10.00 C ATOM 556 OD1 ASN A 37 14.279 2.878 8.150 1.00 10.00 O ATOM 557 ND2 ASN A 37 13.376 4.082 9.806 1.00 10.00 N ATOM 0 H ASN A 37 9.214 4.078 7.771 1.00 10.00 H new ATOM 0 HA ASN A 37 11.386 4.375 7.528 1.00 10.00 H new ATOM 0 HB2 ASN A 37 11.366 2.578 9.498 1.00 10.00 H new ATOM 0 HB3 ASN A 37 12.071 1.534 8.279 1.00 10.00 H new ATOM 0 HD21 ASN A 37 14.267 4.528 10.023 1.00 10.00 H new ATOM 0 HD22 ASN A 37 12.543 4.319 10.344 1.00 10.00 H new ATOM 564 N TYR A 38 12.846 2.827 5.823 1.00 10.00 N ATOM 565 CA TYR A 38 13.380 2.386 4.539 1.00 10.00 C ATOM 566 C TYR A 38 13.776 0.917 4.593 1.00 10.00 C ATOM 567 O TYR A 38 14.634 0.464 3.833 1.00 10.00 O ATOM 568 CB TYR A 38 14.601 3.229 4.151 1.00 10.00 C ATOM 569 CG TYR A 38 14.331 4.715 4.094 1.00 10.00 C ATOM 570 CD1 TYR A 38 13.738 5.295 2.979 1.00 10.00 C ATOM 571 CD2 TYR A 38 14.672 5.541 5.157 1.00 10.00 C ATOM 572 CE1 TYR A 38 13.497 6.656 2.926 1.00 10.00 C ATOM 573 CE2 TYR A 38 14.434 6.899 5.113 1.00 10.00 C ATOM 574 CZ TYR A 38 13.846 7.453 3.998 1.00 10.00 C ATOM 575 OH TYR A 38 13.603 8.809 3.952 1.00 10.00 O ATOM 0 H TYR A 38 13.556 3.152 6.479 1.00 10.00 H new ATOM 0 HA TYR A 38 12.599 2.514 3.789 1.00 10.00 H new ATOM 0 HB2 TYR A 38 15.400 3.043 4.868 1.00 10.00 H new ATOM 0 HB3 TYR A 38 14.963 2.899 3.177 1.00 10.00 H new ATOM 0 HD1 TYR A 38 13.461 4.673 2.141 1.00 10.00 H new ATOM 0 HD2 TYR A 38 15.132 5.112 6.035 1.00 10.00 H new ATOM 0 HE1 TYR A 38 13.038 7.093 2.051 1.00 10.00 H new ATOM 0 HE2 TYR A 38 14.708 7.525 5.949 1.00 10.00 H new ATOM 0 HH TYR A 38 13.907 9.224 4.786 1.00 10.00 H new ATOM 585 N ASP A 39 13.151 0.170 5.490 1.00 10.00 N ATOM 586 CA ASP A 39 13.452 -1.245 5.626 1.00 10.00 C ATOM 587 C ASP A 39 12.748 -2.033 4.535 1.00 10.00 C ATOM 588 O ASP A 39 11.542 -2.284 4.613 1.00 10.00 O ATOM 589 CB ASP A 39 13.039 -1.769 7.004 1.00 10.00 C ATOM 590 CG ASP A 39 13.549 -3.175 7.256 1.00 10.00 C ATOM 591 OD1 ASP A 39 14.783 -3.362 7.305 1.00 10.00 O ATOM 592 OD2 ASP A 39 12.723 -4.102 7.407 1.00 10.00 O ATOM 0 H ASP A 39 12.437 0.518 6.130 1.00 10.00 H new ATOM 0 HA ASP A 39 14.530 -1.374 5.525 1.00 10.00 H new ATOM 0 HB2 ASP A 39 13.423 -1.101 7.775 1.00 10.00 H new ATOM 0 HB3 ASP A 39 11.952 -1.758 7.085 1.00 10.00 H new ATOM 597 N ILE A 40 13.508 -2.403 3.512 1.00 10.00 N ATOM 598 CA ILE A 40 12.986 -3.154 2.375 1.00 10.00 C ATOM 599 C ILE A 40 12.280 -4.433 2.826 1.00 10.00 C ATOM 600 O ILE A 40 11.224 -4.784 2.300 1.00 10.00 O ATOM 601 CB ILE A 40 14.119 -3.512 1.389 1.00 10.00 C ATOM 602 CG1 ILE A 40 14.836 -2.240 0.923 1.00 10.00 C ATOM 603 CG2 ILE A 40 13.568 -4.277 0.193 1.00 10.00 C ATOM 604 CD1 ILE A 40 16.124 -2.504 0.176 1.00 10.00 C ATOM 0 H ILE A 40 14.504 -2.191 3.446 1.00 10.00 H new ATOM 0 HA ILE A 40 12.260 -2.515 1.873 1.00 10.00 H new ATOM 0 HB ILE A 40 14.836 -4.151 1.904 1.00 10.00 H new ATOM 0 HG12 ILE A 40 14.165 -1.670 0.281 1.00 10.00 H new ATOM 0 HG13 ILE A 40 15.052 -1.617 1.791 1.00 10.00 H new ATOM 0 HG21 ILE A 40 14.382 -4.520 -0.490 1.00 10.00 H new ATOM 0 HG22 ILE A 40 13.095 -5.197 0.536 1.00 10.00 H new ATOM 0 HG23 ILE A 40 12.832 -3.662 -0.324 1.00 10.00 H new ATOM 0 HD11 ILE A 40 16.573 -1.556 -0.121 1.00 10.00 H new ATOM 0 HD12 ILE A 40 16.815 -3.046 0.822 1.00 10.00 H new ATOM 0 HD13 ILE A 40 15.914 -3.100 -0.712 1.00 10.00 H new ATOM 616 N GLY A 41 12.858 -5.108 3.814 1.00 10.00 N ATOM 617 CA GLY A 41 12.276 -6.336 4.321 1.00 10.00 C ATOM 618 C GLY A 41 10.863 -6.152 4.835 1.00 10.00 C ATOM 619 O GLY A 41 9.953 -6.874 4.425 1.00 10.00 O ATOM 0 H GLY A 41 13.723 -4.824 4.274 1.00 10.00 H new ATOM 0 HA2 GLY A 41 12.274 -7.085 3.529 1.00 10.00 H new ATOM 0 HA3 GLY A 41 12.902 -6.724 5.125 1.00 10.00 H new ATOM 623 N ALA A 42 10.679 -5.178 5.717 1.00 10.00 N ATOM 624 CA ALA A 42 9.364 -4.901 6.285 1.00 10.00 C ATOM 625 C ALA A 42 8.381 -4.450 5.205 1.00 10.00 C ATOM 626 O ALA A 42 7.226 -4.876 5.189 1.00 10.00 O ATOM 627 CB ALA A 42 9.466 -3.845 7.376 1.00 10.00 C ATOM 0 H ALA A 42 11.422 -4.567 6.055 1.00 10.00 H new ATOM 0 HA ALA A 42 8.988 -5.825 6.723 1.00 10.00 H new ATOM 0 HB1 ALA A 42 8.476 -3.651 7.788 1.00 10.00 H new ATOM 0 HB2 ALA A 42 10.125 -4.202 8.167 1.00 10.00 H new ATOM 0 HB3 ALA A 42 9.870 -2.925 6.955 1.00 10.00 H new ATOM 633 N ALA A 43 8.854 -3.596 4.299 1.00 10.00 N ATOM 634 CA ALA A 43 8.023 -3.083 3.215 1.00 10.00 C ATOM 635 C ALA A 43 7.513 -4.215 2.330 1.00 10.00 C ATOM 636 O ALA A 43 6.320 -4.294 2.031 1.00 10.00 O ATOM 637 CB ALA A 43 8.804 -2.075 2.386 1.00 10.00 C ATOM 0 H ALA A 43 9.812 -3.245 4.296 1.00 10.00 H new ATOM 0 HA ALA A 43 7.159 -2.585 3.656 1.00 10.00 H new ATOM 0 HB1 ALA A 43 8.173 -1.700 1.580 1.00 10.00 H new ATOM 0 HB2 ALA A 43 9.115 -1.245 3.020 1.00 10.00 H new ATOM 0 HB3 ALA A 43 9.685 -2.557 1.962 1.00 10.00 H new ATOM 643 N LEU A 44 8.417 -5.100 1.933 1.00 10.00 N ATOM 644 CA LEU A 44 8.074 -6.231 1.080 1.00 10.00 C ATOM 645 C LEU A 44 7.142 -7.200 1.807 1.00 10.00 C ATOM 646 O LEU A 44 6.281 -7.831 1.193 1.00 10.00 O ATOM 647 CB LEU A 44 9.350 -6.948 0.640 1.00 10.00 C ATOM 648 CG LEU A 44 9.238 -7.754 -0.657 1.00 10.00 C ATOM 649 CD1 LEU A 44 8.923 -6.838 -1.832 1.00 10.00 C ATOM 650 CD2 LEU A 44 10.522 -8.525 -0.910 1.00 10.00 C ATOM 0 H LEU A 44 9.403 -5.056 2.191 1.00 10.00 H new ATOM 0 HA LEU A 44 7.550 -5.859 0.200 1.00 10.00 H new ATOM 0 HB2 LEU A 44 10.140 -6.206 0.520 1.00 10.00 H new ATOM 0 HB3 LEU A 44 9.663 -7.620 1.439 1.00 10.00 H new ATOM 0 HG LEU A 44 8.420 -8.467 -0.552 1.00 10.00 H new ATOM 0 HD11 LEU A 44 8.847 -7.430 -2.744 1.00 10.00 H new ATOM 0 HD12 LEU A 44 7.977 -6.327 -1.652 1.00 10.00 H new ATOM 0 HD13 LEU A 44 9.718 -6.101 -1.942 1.00 10.00 H new ATOM 0 HD21 LEU A 44 10.429 -9.094 -1.835 1.00 10.00 H new ATOM 0 HD22 LEU A 44 11.355 -7.827 -0.996 1.00 10.00 H new ATOM 0 HD23 LEU A 44 10.705 -9.209 -0.081 1.00 10.00 H new ATOM 662 N ASP A 45 7.315 -7.307 3.117 1.00 10.00 N ATOM 663 CA ASP A 45 6.497 -8.201 3.933 1.00 10.00 C ATOM 664 C ASP A 45 5.068 -7.687 4.053 1.00 10.00 C ATOM 665 O ASP A 45 4.117 -8.471 4.079 1.00 10.00 O ATOM 666 CB ASP A 45 7.106 -8.341 5.328 1.00 10.00 C ATOM 667 CG ASP A 45 6.480 -9.459 6.136 1.00 10.00 C ATOM 668 OD1 ASP A 45 5.387 -9.257 6.707 1.00 10.00 O ATOM 669 OD2 ASP A 45 7.088 -10.547 6.218 1.00 10.00 O ATOM 0 H ASP A 45 8.017 -6.785 3.642 1.00 10.00 H new ATOM 0 HA ASP A 45 6.474 -9.174 3.442 1.00 10.00 H new ATOM 0 HB2 ASP A 45 8.177 -8.523 5.235 1.00 10.00 H new ATOM 0 HB3 ASP A 45 6.988 -7.401 5.866 1.00 10.00 H new ATOM 674 N THR A 46 4.930 -6.366 4.109 1.00 10.00 N ATOM 675 CA THR A 46 3.625 -5.727 4.236 1.00 10.00 C ATOM 676 C THR A 46 2.699 -6.100 3.075 1.00 10.00 C ATOM 677 O THR A 46 1.482 -6.186 3.240 1.00 10.00 O ATOM 678 CB THR A 46 3.763 -4.188 4.307 1.00 10.00 C ATOM 679 OG1 THR A 46 4.727 -3.823 5.305 1.00 10.00 O ATOM 680 CG2 THR A 46 2.427 -3.530 4.628 1.00 10.00 C ATOM 0 H THR A 46 5.713 -5.713 4.068 1.00 10.00 H new ATOM 0 HA THR A 46 3.185 -6.091 5.164 1.00 10.00 H new ATOM 0 HB THR A 46 4.097 -3.838 3.330 1.00 10.00 H new ATOM 0 HG1 THR A 46 5.611 -4.153 5.042 1.00 10.00 H new ATOM 0 HG21 THR A 46 2.555 -2.448 4.671 1.00 10.00 H new ATOM 0 HG22 THR A 46 1.703 -3.779 3.852 1.00 10.00 H new ATOM 0 HG23 THR A 46 2.065 -3.891 5.591 1.00 10.00 H new ATOM 688 N ILE A 47 3.276 -6.336 1.904 1.00 10.00 N ATOM 689 CA ILE A 47 2.479 -6.684 0.735 1.00 10.00 C ATOM 690 C ILE A 47 2.513 -8.190 0.455 1.00 10.00 C ATOM 691 O ILE A 47 1.909 -8.662 -0.508 1.00 10.00 O ATOM 692 CB ILE A 47 2.925 -5.889 -0.510 1.00 10.00 C ATOM 693 CG1 ILE A 47 4.426 -6.060 -0.761 1.00 10.00 C ATOM 694 CG2 ILE A 47 2.582 -4.413 -0.337 1.00 10.00 C ATOM 695 CD1 ILE A 47 4.743 -6.924 -1.959 1.00 10.00 C ATOM 0 H ILE A 47 4.282 -6.294 1.739 1.00 10.00 H new ATOM 0 HA ILE A 47 1.448 -6.409 0.960 1.00 10.00 H new ATOM 0 HB ILE A 47 2.391 -6.279 -1.376 1.00 10.00 H new ATOM 0 HG12 ILE A 47 4.877 -5.078 -0.902 1.00 10.00 H new ATOM 0 HG13 ILE A 47 4.887 -6.498 0.125 1.00 10.00 H new ATOM 0 HG21 ILE A 47 2.900 -3.860 -1.220 1.00 10.00 H new ATOM 0 HG22 ILE A 47 1.505 -4.302 -0.208 1.00 10.00 H new ATOM 0 HG23 ILE A 47 3.095 -4.021 0.541 1.00 10.00 H new ATOM 0 HD11 ILE A 47 5.824 -7.001 -2.076 1.00 10.00 H new ATOM 0 HD12 ILE A 47 4.322 -7.919 -1.812 1.00 10.00 H new ATOM 0 HD13 ILE A 47 4.312 -6.476 -2.855 1.00 10.00 H new ATOM 707 N GLN A 48 3.234 -8.922 1.309 1.00 10.00 N ATOM 708 CA GLN A 48 3.362 -10.386 1.233 1.00 10.00 C ATOM 709 C GLN A 48 4.167 -10.876 0.020 1.00 10.00 C ATOM 710 O GLN A 48 5.113 -11.650 0.188 1.00 10.00 O ATOM 711 CB GLN A 48 1.974 -11.047 1.253 1.00 10.00 C ATOM 712 CG GLN A 48 1.848 -12.170 2.272 1.00 10.00 C ATOM 713 CD GLN A 48 2.563 -13.438 1.849 1.00 10.00 C ATOM 714 OE1 GLN A 48 2.644 -13.756 0.661 1.00 10.00 O ATOM 715 NE2 GLN A 48 3.085 -14.174 2.816 1.00 10.00 N ATOM 0 H GLN A 48 3.754 -8.512 2.085 1.00 10.00 H new ATOM 0 HA GLN A 48 3.928 -10.685 2.115 1.00 10.00 H new ATOM 0 HB2 GLN A 48 1.222 -10.287 1.467 1.00 10.00 H new ATOM 0 HB3 GLN A 48 1.755 -11.442 0.261 1.00 10.00 H new ATOM 0 HG2 GLN A 48 2.252 -11.833 3.227 1.00 10.00 H new ATOM 0 HG3 GLN A 48 0.793 -12.391 2.432 1.00 10.00 H new ATOM 0 HE21 GLN A 48 2.997 -13.877 3.788 1.00 10.00 H new ATOM 0 HE22 GLN A 48 3.576 -15.039 2.590 1.00 10.00 H new ATOM 724 N TYR A 49 3.785 -10.439 -1.184 1.00 10.00 N ATOM 725 CA TYR A 49 4.458 -10.852 -2.422 1.00 10.00 C ATOM 726 C TYR A 49 5.957 -10.561 -2.387 1.00 10.00 C ATOM 727 O TYR A 49 6.401 -9.463 -2.715 1.00 10.00 O ATOM 728 CB TYR A 49 3.826 -10.156 -3.632 1.00 10.00 C ATOM 729 CG TYR A 49 2.403 -10.579 -3.899 1.00 10.00 C ATOM 730 CD1 TYR A 49 2.120 -11.850 -4.380 1.00 10.00 C ATOM 731 CD2 TYR A 49 1.342 -9.717 -3.660 1.00 10.00 C ATOM 732 CE1 TYR A 49 0.821 -12.251 -4.617 1.00 10.00 C ATOM 733 CE2 TYR A 49 0.040 -10.109 -3.892 1.00 10.00 C ATOM 734 CZ TYR A 49 -0.214 -11.377 -4.370 1.00 10.00 C ATOM 735 OH TYR A 49 -1.511 -11.781 -4.592 1.00 10.00 O ATOM 0 H TYR A 49 3.008 -9.795 -1.329 1.00 10.00 H new ATOM 0 HA TYR A 49 4.329 -11.931 -2.511 1.00 10.00 H new ATOM 0 HB2 TYR A 49 3.852 -9.078 -3.474 1.00 10.00 H new ATOM 0 HB3 TYR A 49 4.429 -10.364 -4.516 1.00 10.00 H new ATOM 0 HD1 TYR A 49 2.931 -12.537 -4.572 1.00 10.00 H new ATOM 0 HD2 TYR A 49 1.539 -8.723 -3.286 1.00 10.00 H new ATOM 0 HE1 TYR A 49 0.618 -13.243 -4.993 1.00 10.00 H new ATOM 0 HE2 TYR A 49 -0.775 -9.427 -3.700 1.00 10.00 H new ATOM 0 HH TYR A 49 -1.786 -12.402 -3.885 1.00 10.00 H new ATOM 745 N SER A 50 6.730 -11.556 -1.989 1.00 10.00 N ATOM 746 CA SER A 50 8.170 -11.412 -1.900 1.00 10.00 C ATOM 747 C SER A 50 8.873 -12.214 -2.993 1.00 10.00 C ATOM 748 O SER A 50 9.776 -11.708 -3.657 1.00 10.00 O ATOM 749 CB SER A 50 8.637 -11.861 -0.518 1.00 10.00 C ATOM 750 OG SER A 50 7.700 -12.762 0.055 1.00 10.00 O ATOM 0 H SER A 50 6.381 -12.476 -1.721 1.00 10.00 H new ATOM 0 HA SER A 50 8.429 -10.363 -2.046 1.00 10.00 H new ATOM 0 HB2 SER A 50 9.612 -12.342 -0.596 1.00 10.00 H new ATOM 0 HB3 SER A 50 8.760 -10.994 0.131 1.00 10.00 H new ATOM 0 HG SER A 50 6.854 -12.295 0.217 1.00 10.00 H new ATOM 756 N LYS A 51 8.445 -13.459 -3.179 1.00 10.00 N ATOM 757 CA LYS A 51 9.037 -14.329 -4.189 1.00 10.00 C ATOM 758 C LYS A 51 8.679 -13.868 -5.598 1.00 10.00 C ATOM 759 O LYS A 51 9.563 -13.594 -6.413 1.00 10.00 O ATOM 760 CB LYS A 51 8.577 -15.774 -3.992 1.00 10.00 C ATOM 761 CG LYS A 51 9.056 -16.398 -2.694 1.00 10.00 C ATOM 762 CD LYS A 51 8.711 -17.878 -2.625 1.00 10.00 C ATOM 763 CE LYS A 51 9.489 -18.670 -3.659 1.00 10.00 C ATOM 764 NZ LYS A 51 9.321 -20.132 -3.482 1.00 10.00 N ATOM 0 H LYS A 51 7.690 -13.888 -2.643 1.00 10.00 H new ATOM 0 HA LYS A 51 10.119 -14.276 -4.071 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.488 -15.806 -4.019 1.00 10.00 H new ATOM 0 HB3 LYS A 51 8.934 -16.376 -4.827 1.00 10.00 H new ATOM 0 HG2 LYS A 51 10.135 -16.270 -2.604 1.00 10.00 H new ATOM 0 HG3 LYS A 51 8.602 -15.878 -1.850 1.00 10.00 H new ATOM 0 HD2 LYS A 51 8.932 -18.260 -1.628 1.00 10.00 H new ATOM 0 HD3 LYS A 51 7.642 -18.013 -2.788 1.00 10.00 H new ATOM 0 HE2 LYS A 51 9.158 -18.386 -4.658 1.00 10.00 H new ATOM 0 HE3 LYS A 51 10.547 -18.416 -3.590 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 9.869 -20.635 -4.209 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 9.661 -20.409 -2.539 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 8.315 -20.379 -3.574 1.00 10.00 H new ATOM 778 N HIS A 52 7.386 -13.778 -5.877 1.00 10.00 N ATOM 779 CA HIS A 52 6.917 -13.361 -7.187 1.00 10.00 C ATOM 780 C HIS A 52 5.700 -12.458 -7.056 1.00 10.00 C ATOM 781 O HIS A 52 5.495 -11.596 -7.936 1.00 10.00 O ATOM 782 CB HIS A 52 6.571 -14.579 -8.045 1.00 10.00 C ATOM 783 CG HIS A 52 7.399 -14.686 -9.288 1.00 10.00 C ATOM 784 ND1 HIS A 52 6.931 -15.238 -10.460 1.00 10.00 N ATOM 785 CD2 HIS A 52 8.678 -14.312 -9.533 1.00 10.00 C ATOM 786 CE1 HIS A 52 7.889 -15.199 -11.371 1.00 10.00 C ATOM 787 NE2 HIS A 52 8.955 -14.642 -10.834 1.00 10.00 N ATOM 788 OXT HIS A 52 4.953 -12.621 -6.075 1.00 10.00 O ATOM 0 H HIS A 52 6.643 -13.989 -5.211 1.00 10.00 H new ATOM 0 HA HIS A 52 7.718 -12.804 -7.673 1.00 10.00 H new ATOM 0 HB2 HIS A 52 6.704 -15.483 -7.450 1.00 10.00 H new ATOM 0 HB3 HIS A 52 5.518 -14.532 -8.322 1.00 10.00 H new ATOM 0 HD2 HIS A 52 9.353 -13.842 -8.834 1.00 10.00 H new ATOM 0 HE1 HIS A 52 7.810 -15.563 -12.385 1.00 10.00 H new ATOM 0 HE2 HIS A 52 9.843 -14.482 -11.310 1.00 10.00 H new TER 797 HIS A 52 ATOM 798 N GLY B 1 -17.294 18.742 3.159 1.00 10.00 N ATOM 799 CA GLY B 1 -18.511 18.089 3.698 1.00 10.00 C ATOM 800 C GLY B 1 -19.047 17.035 2.757 1.00 10.00 C ATOM 801 O GLY B 1 -18.482 16.811 1.688 1.00 10.00 O ATOM 0 H1 GLY B 1 -16.492 18.563 3.797 1.00 10.00 H new ATOM 0 H2 GLY B 1 -17.081 18.355 2.217 1.00 10.00 H new ATOM 0 H3 GLY B 1 -17.454 19.767 3.084 1.00 10.00 H new ATOM 0 HA2 GLY B 1 -18.282 17.633 4.661 1.00 10.00 H new ATOM 0 HA3 GLY B 1 -19.279 18.842 3.876 1.00 10.00 H new ATOM 807 N SER B 2 -20.127 16.383 3.160 1.00 10.00 N ATOM 808 CA SER B 2 -20.746 15.349 2.352 1.00 10.00 C ATOM 809 C SER B 2 -21.991 15.893 1.656 1.00 10.00 C ATOM 810 O SER B 2 -23.046 16.037 2.276 1.00 10.00 O ATOM 811 CB SER B 2 -21.114 14.154 3.234 1.00 10.00 C ATOM 812 OG SER B 2 -20.158 13.973 4.269 1.00 10.00 O ATOM 0 H SER B 2 -20.595 16.555 4.050 1.00 10.00 H new ATOM 0 HA SER B 2 -20.038 15.025 1.590 1.00 10.00 H new ATOM 0 HB2 SER B 2 -22.101 14.309 3.669 1.00 10.00 H new ATOM 0 HB3 SER B 2 -21.172 13.252 2.625 1.00 10.00 H new ATOM 0 HG SER B 2 -20.415 13.205 4.821 1.00 10.00 H new ATOM 818 N PRO B 3 -21.886 16.214 0.358 1.00 10.00 N ATOM 819 CA PRO B 3 -23.008 16.748 -0.409 1.00 10.00 C ATOM 820 C PRO B 3 -23.986 15.660 -0.842 1.00 10.00 C ATOM 821 O PRO B 3 -23.597 14.508 -1.039 1.00 10.00 O ATOM 822 CB PRO B 3 -22.323 17.372 -1.623 1.00 10.00 C ATOM 823 CG PRO B 3 -21.101 16.547 -1.832 1.00 10.00 C ATOM 824 CD PRO B 3 -20.667 16.077 -0.467 1.00 10.00 C ATOM 0 HA PRO B 3 -23.610 17.449 0.170 1.00 10.00 H new ATOM 0 HB2 PRO B 3 -22.971 17.349 -2.499 1.00 10.00 H new ATOM 0 HB3 PRO B 3 -22.070 18.416 -1.442 1.00 10.00 H new ATOM 0 HG2 PRO B 3 -21.311 15.700 -2.486 1.00 10.00 H new ATOM 0 HG3 PRO B 3 -20.315 17.131 -2.310 1.00 10.00 H new ATOM 0 HD2 PRO B 3 -20.315 15.046 -0.492 1.00 10.00 H new ATOM 0 HD3 PRO B 3 -19.850 16.683 -0.077 1.00 10.00 H new ATOM 832 N PRO B 4 -25.279 16.008 -1.003 1.00 10.00 N ATOM 833 CA PRO B 4 -26.317 15.055 -1.426 1.00 10.00 C ATOM 834 C PRO B 4 -26.077 14.532 -2.842 1.00 10.00 C ATOM 835 O PRO B 4 -26.749 13.604 -3.297 1.00 10.00 O ATOM 836 CB PRO B 4 -27.611 15.875 -1.372 1.00 10.00 C ATOM 837 CG PRO B 4 -27.292 17.048 -0.510 1.00 10.00 C ATOM 838 CD PRO B 4 -25.843 17.346 -0.756 1.00 10.00 C ATOM 0 HA PRO B 4 -26.336 14.170 -0.790 1.00 10.00 H new ATOM 0 HB2 PRO B 4 -27.920 16.191 -2.369 1.00 10.00 H new ATOM 0 HB3 PRO B 4 -28.431 15.291 -0.955 1.00 10.00 H new ATOM 0 HG2 PRO B 4 -27.917 17.904 -0.765 1.00 10.00 H new ATOM 0 HG3 PRO B 4 -27.473 16.823 0.541 1.00 10.00 H new ATOM 0 HD2 PRO B 4 -25.704 18.009 -1.610 1.00 10.00 H new ATOM 0 HD3 PRO B 4 -25.377 17.831 0.102 1.00 10.00 H new ATOM 846 N GLU B 5 -25.129 15.151 -3.539 1.00 10.00 N ATOM 847 CA GLU B 5 -24.776 14.743 -4.890 1.00 10.00 C ATOM 848 C GLU B 5 -23.935 13.476 -4.851 1.00 10.00 C ATOM 849 O GLU B 5 -23.909 12.698 -5.806 1.00 10.00 O ATOM 850 CB GLU B 5 -24.016 15.860 -5.603 1.00 10.00 C ATOM 851 CG GLU B 5 -24.916 16.983 -6.089 1.00 10.00 C ATOM 852 CD GLU B 5 -26.092 16.463 -6.888 1.00 10.00 C ATOM 853 OE1 GLU B 5 -25.877 15.924 -7.994 1.00 10.00 O ATOM 854 OE2 GLU B 5 -27.238 16.580 -6.411 1.00 10.00 O ATOM 0 H GLU B 5 -24.590 15.942 -3.186 1.00 10.00 H new ATOM 0 HA GLU B 5 -25.693 14.540 -5.443 1.00 10.00 H new ATOM 0 HB2 GLU B 5 -23.268 16.271 -4.925 1.00 10.00 H new ATOM 0 HB3 GLU B 5 -23.479 15.440 -6.454 1.00 10.00 H new ATOM 0 HG2 GLU B 5 -25.282 17.550 -5.233 1.00 10.00 H new ATOM 0 HG3 GLU B 5 -24.336 17.672 -6.704 1.00 10.00 H new ATOM 861 N ALA B 6 -23.252 13.272 -3.733 1.00 10.00 N ATOM 862 CA ALA B 6 -22.420 12.100 -3.552 1.00 10.00 C ATOM 863 C ALA B 6 -23.279 10.930 -3.112 1.00 10.00 C ATOM 864 O ALA B 6 -24.041 11.043 -2.151 1.00 10.00 O ATOM 865 CB ALA B 6 -21.321 12.372 -2.533 1.00 10.00 C ATOM 0 H ALA B 6 -23.261 13.909 -2.936 1.00 10.00 H new ATOM 0 HA ALA B 6 -21.943 11.854 -4.501 1.00 10.00 H new ATOM 0 HB1 ALA B 6 -20.708 11.479 -2.412 1.00 10.00 H new ATOM 0 HB2 ALA B 6 -20.698 13.196 -2.881 1.00 10.00 H new ATOM 0 HB3 ALA B 6 -21.770 12.636 -1.576 1.00 10.00 H new ATOM 871 N ASP B 7 -23.169 9.822 -3.825 1.00 10.00 N ATOM 872 CA ASP B 7 -23.946 8.631 -3.506 1.00 10.00 C ATOM 873 C ASP B 7 -23.649 8.155 -2.088 1.00 10.00 C ATOM 874 O ASP B 7 -22.487 7.966 -1.718 1.00 10.00 O ATOM 875 CB ASP B 7 -23.660 7.513 -4.508 1.00 10.00 C ATOM 876 CG ASP B 7 -24.620 6.351 -4.361 1.00 10.00 C ATOM 877 OD1 ASP B 7 -24.403 5.497 -3.480 1.00 10.00 O ATOM 878 OD2 ASP B 7 -25.605 6.290 -5.123 1.00 10.00 O ATOM 0 H ASP B 7 -22.550 9.720 -4.629 1.00 10.00 H new ATOM 0 HA ASP B 7 -25.002 8.892 -3.570 1.00 10.00 H new ATOM 0 HB2 ASP B 7 -23.726 7.910 -5.521 1.00 10.00 H new ATOM 0 HB3 ASP B 7 -22.639 7.157 -4.371 1.00 10.00 H new ATOM 883 N PRO B 8 -24.705 7.943 -1.281 1.00 10.00 N ATOM 884 CA PRO B 8 -24.574 7.505 0.117 1.00 10.00 C ATOM 885 C PRO B 8 -23.877 6.159 0.265 1.00 10.00 C ATOM 886 O PRO B 8 -23.335 5.852 1.327 1.00 10.00 O ATOM 887 CB PRO B 8 -26.026 7.407 0.605 1.00 10.00 C ATOM 888 CG PRO B 8 -26.844 7.301 -0.635 1.00 10.00 C ATOM 889 CD PRO B 8 -26.116 8.112 -1.668 1.00 10.00 C ATOM 0 HA PRO B 8 -23.958 8.199 0.689 1.00 10.00 H new ATOM 0 HB2 PRO B 8 -26.169 6.538 1.247 1.00 10.00 H new ATOM 0 HB3 PRO B 8 -26.306 8.284 1.189 1.00 10.00 H new ATOM 0 HG2 PRO B 8 -26.945 6.263 -0.951 1.00 10.00 H new ATOM 0 HG3 PRO B 8 -27.852 7.684 -0.474 1.00 10.00 H new ATOM 0 HD2 PRO B 8 -26.305 7.746 -2.677 1.00 10.00 H new ATOM 0 HD3 PRO B 8 -26.418 9.159 -1.647 1.00 10.00 H new ATOM 897 N ARG B 9 -23.890 5.360 -0.789 1.00 10.00 N ATOM 898 CA ARG B 9 -23.253 4.057 -0.752 1.00 10.00 C ATOM 899 C ARG B 9 -21.822 4.154 -1.272 1.00 10.00 C ATOM 900 O ARG B 9 -20.952 3.380 -0.874 1.00 10.00 O ATOM 901 CB ARG B 9 -24.057 3.047 -1.571 1.00 10.00 C ATOM 902 CG ARG B 9 -25.462 2.828 -1.032 1.00 10.00 C ATOM 903 CD ARG B 9 -26.483 2.698 -2.150 1.00 10.00 C ATOM 904 NE ARG B 9 -26.635 3.939 -2.907 1.00 10.00 N ATOM 905 CZ ARG B 9 -27.809 4.524 -3.164 1.00 10.00 C ATOM 906 NH1 ARG B 9 -28.937 4.019 -2.676 1.00 10.00 N ATOM 907 NH2 ARG B 9 -27.852 5.615 -3.905 1.00 10.00 N ATOM 0 H ARG B 9 -24.334 5.591 -1.678 1.00 10.00 H new ATOM 0 HA ARG B 9 -23.222 3.712 0.282 1.00 10.00 H new ATOM 0 HB2 ARG B 9 -24.120 3.392 -2.603 1.00 10.00 H new ATOM 0 HB3 ARG B 9 -23.527 2.095 -1.585 1.00 10.00 H new ATOM 0 HG2 ARG B 9 -25.479 1.928 -0.418 1.00 10.00 H new ATOM 0 HG3 ARG B 9 -25.737 3.661 -0.384 1.00 10.00 H new ATOM 0 HD2 ARG B 9 -26.180 1.898 -2.825 1.00 10.00 H new ATOM 0 HD3 ARG B 9 -27.446 2.412 -1.728 1.00 10.00 H new ATOM 0 HE ARG B 9 -25.791 4.388 -3.262 1.00 10.00 H new ATOM 0 HH11 ARG B 9 -28.912 3.178 -2.100 1.00 10.00 H new ATOM 0 HH12 ARG B 9 -29.828 4.473 -2.878 1.00 10.00 H new ATOM 0 HH21 ARG B 9 -26.990 6.011 -4.281 1.00 10.00 H new ATOM 0 HH22 ARG B 9 -28.747 6.063 -4.102 1.00 10.00 H new ATOM 921 N LEU B 10 -21.583 5.126 -2.147 1.00 10.00 N ATOM 922 CA LEU B 10 -20.257 5.341 -2.719 1.00 10.00 C ATOM 923 C LEU B 10 -19.303 5.876 -1.658 1.00 10.00 C ATOM 924 O LEU B 10 -18.128 5.521 -1.624 1.00 10.00 O ATOM 925 CB LEU B 10 -20.340 6.319 -3.897 1.00 10.00 C ATOM 926 CG LEU B 10 -18.998 6.698 -4.537 1.00 10.00 C ATOM 927 CD1 LEU B 10 -18.322 5.472 -5.135 1.00 10.00 C ATOM 928 CD2 LEU B 10 -19.201 7.763 -5.603 1.00 10.00 C ATOM 0 H LEU B 10 -22.293 5.780 -2.477 1.00 10.00 H new ATOM 0 HA LEU B 10 -19.876 4.386 -3.082 1.00 10.00 H new ATOM 0 HB2 LEU B 10 -20.978 5.882 -4.665 1.00 10.00 H new ATOM 0 HB3 LEU B 10 -20.830 7.231 -3.556 1.00 10.00 H new ATOM 0 HG LEU B 10 -18.350 7.102 -3.759 1.00 10.00 H new ATOM 0 HD11 LEU B 10 -17.372 5.763 -5.584 1.00 10.00 H new ATOM 0 HD12 LEU B 10 -18.143 4.736 -4.351 1.00 10.00 H new ATOM 0 HD13 LEU B 10 -18.966 5.038 -5.899 1.00 10.00 H new ATOM 0 HD21 LEU B 10 -18.240 8.021 -6.047 1.00 10.00 H new ATOM 0 HD22 LEU B 10 -19.868 7.381 -6.376 1.00 10.00 H new ATOM 0 HD23 LEU B 10 -19.642 8.651 -5.150 1.00 10.00 H new ATOM 940 N ILE B 11 -19.820 6.731 -0.787 1.00 10.00 N ATOM 941 CA ILE B 11 -19.013 7.299 0.280 1.00 10.00 C ATOM 942 C ILE B 11 -18.785 6.260 1.379 1.00 10.00 C ATOM 943 O ILE B 11 -17.832 6.349 2.152 1.00 10.00 O ATOM 944 CB ILE B 11 -19.667 8.570 0.871 1.00 10.00 C ATOM 945 CG1 ILE B 11 -18.715 9.261 1.855 1.00 10.00 C ATOM 946 CG2 ILE B 11 -20.988 8.231 1.549 1.00 10.00 C ATOM 947 CD1 ILE B 11 -19.188 10.628 2.299 1.00 10.00 C ATOM 0 H ILE B 11 -20.790 7.045 -0.799 1.00 10.00 H new ATOM 0 HA ILE B 11 -18.052 7.587 -0.145 1.00 10.00 H new ATOM 0 HB ILE B 11 -19.872 9.260 0.052 1.00 10.00 H new ATOM 0 HG12 ILE B 11 -18.590 8.627 2.733 1.00 10.00 H new ATOM 0 HG13 ILE B 11 -17.734 9.359 1.390 1.00 10.00 H new ATOM 0 HG21 ILE B 11 -21.431 9.139 1.958 1.00 10.00 H new ATOM 0 HG22 ILE B 11 -21.669 7.792 0.820 1.00 10.00 H new ATOM 0 HG23 ILE B 11 -20.811 7.519 2.355 1.00 10.00 H new ATOM 0 HD11 ILE B 11 -18.465 11.055 2.993 1.00 10.00 H new ATOM 0 HD12 ILE B 11 -19.286 11.279 1.430 1.00 10.00 H new ATOM 0 HD13 ILE B 11 -20.155 10.536 2.794 1.00 10.00 H new ATOM 959 N GLU B 12 -19.645 5.245 1.407 1.00 10.00 N ATOM 960 CA GLU B 12 -19.543 4.187 2.403 1.00 10.00 C ATOM 961 C GLU B 12 -18.429 3.211 2.057 1.00 10.00 C ATOM 962 O GLU B 12 -18.017 2.408 2.895 1.00 10.00 O ATOM 963 CB GLU B 12 -20.871 3.444 2.548 1.00 10.00 C ATOM 964 CG GLU B 12 -21.856 4.151 3.462 1.00 10.00 C ATOM 965 CD GLU B 12 -21.194 4.739 4.692 1.00 10.00 C ATOM 966 OE1 GLU B 12 -20.446 4.014 5.373 1.00 10.00 O ATOM 967 OE2 GLU B 12 -21.415 5.935 4.981 1.00 10.00 O ATOM 0 H GLU B 12 -20.419 5.135 0.751 1.00 10.00 H new ATOM 0 HA GLU B 12 -19.302 4.656 3.357 1.00 10.00 H new ATOM 0 HB2 GLU B 12 -21.322 3.323 1.563 1.00 10.00 H new ATOM 0 HB3 GLU B 12 -20.680 2.443 2.936 1.00 10.00 H new ATOM 0 HG2 GLU B 12 -22.354 4.946 2.907 1.00 10.00 H new ATOM 0 HG3 GLU B 12 -22.628 3.447 3.772 1.00 10.00 H new ATOM 974 N SER B 13 -17.938 3.281 0.826 1.00 10.00 N ATOM 975 CA SER B 13 -16.858 2.406 0.395 1.00 10.00 C ATOM 976 C SER B 13 -15.603 2.687 1.220 1.00 10.00 C ATOM 977 O SER B 13 -14.795 1.796 1.477 1.00 10.00 O ATOM 978 CB SER B 13 -16.579 2.607 -1.094 1.00 10.00 C ATOM 979 OG SER B 13 -17.784 2.562 -1.845 1.00 10.00 O ATOM 0 H SER B 13 -18.269 3.931 0.113 1.00 10.00 H new ATOM 0 HA SER B 13 -17.154 1.369 0.551 1.00 10.00 H new ATOM 0 HB2 SER B 13 -16.084 3.566 -1.249 1.00 10.00 H new ATOM 0 HB3 SER B 13 -15.896 1.835 -1.448 1.00 10.00 H new ATOM 0 HG SER B 13 -18.156 3.465 -1.921 1.00 10.00 H new ATOM 985 N LEU B 14 -15.467 3.934 1.660 1.00 10.00 N ATOM 986 CA LEU B 14 -14.327 4.340 2.464 1.00 10.00 C ATOM 987 C LEU B 14 -14.483 3.818 3.890 1.00 10.00 C ATOM 988 O LEU B 14 -13.534 3.307 4.484 1.00 10.00 O ATOM 989 CB LEU B 14 -14.185 5.869 2.477 1.00 10.00 C ATOM 990 CG LEU B 14 -13.630 6.492 1.189 1.00 10.00 C ATOM 991 CD1 LEU B 14 -14.710 6.588 0.120 1.00 10.00 C ATOM 992 CD2 LEU B 14 -13.043 7.866 1.474 1.00 10.00 C ATOM 0 H LEU B 14 -16.136 4.680 1.471 1.00 10.00 H new ATOM 0 HA LEU B 14 -13.426 3.915 2.022 1.00 10.00 H new ATOM 0 HB2 LEU B 14 -15.163 6.306 2.679 1.00 10.00 H new ATOM 0 HB3 LEU B 14 -13.534 6.149 3.305 1.00 10.00 H new ATOM 0 HG LEU B 14 -12.838 5.844 0.814 1.00 10.00 H new ATOM 0 HD11 LEU B 14 -14.290 7.033 -0.782 1.00 10.00 H new ATOM 0 HD12 LEU B 14 -15.086 5.591 -0.108 1.00 10.00 H new ATOM 0 HD13 LEU B 14 -15.528 7.209 0.484 1.00 10.00 H new ATOM 0 HD21 LEU B 14 -12.654 8.294 0.550 1.00 10.00 H new ATOM 0 HD22 LEU B 14 -13.819 8.517 1.877 1.00 10.00 H new ATOM 0 HD23 LEU B 14 -12.235 7.773 2.200 1.00 10.00 H new ATOM 1004 N SER B 15 -15.695 3.934 4.426 1.00 10.00 N ATOM 1005 CA SER B 15 -15.981 3.471 5.775 1.00 10.00 C ATOM 1006 C SER B 15 -15.887 1.949 5.853 1.00 10.00 C ATOM 1007 O SER B 15 -15.564 1.392 6.901 1.00 10.00 O ATOM 1008 CB SER B 15 -17.371 3.933 6.205 1.00 10.00 C ATOM 1009 OG SER B 15 -17.914 4.856 5.276 1.00 10.00 O ATOM 0 H SER B 15 -16.494 4.346 3.944 1.00 10.00 H new ATOM 0 HA SER B 15 -15.240 3.898 6.451 1.00 10.00 H new ATOM 0 HB2 SER B 15 -18.032 3.071 6.294 1.00 10.00 H new ATOM 0 HB3 SER B 15 -17.315 4.395 7.191 1.00 10.00 H new ATOM 0 HG SER B 15 -18.887 4.894 5.383 1.00 10.00 H new ATOM 1015 N GLN B 16 -16.166 1.284 4.735 1.00 10.00 N ATOM 1016 CA GLN B 16 -16.102 -0.171 4.674 1.00 10.00 C ATOM 1017 C GLN B 16 -14.689 -0.658 4.976 1.00 10.00 C ATOM 1018 O GLN B 16 -14.504 -1.683 5.637 1.00 10.00 O ATOM 1019 CB GLN B 16 -16.559 -0.672 3.301 1.00 10.00 C ATOM 1020 CG GLN B 16 -16.694 -2.185 3.217 1.00 10.00 C ATOM 1021 CD GLN B 16 -17.588 -2.759 4.301 1.00 10.00 C ATOM 1022 OE1 GLN B 16 -18.808 -2.823 4.148 1.00 10.00 O ATOM 1023 NE2 GLN B 16 -16.990 -3.185 5.403 1.00 10.00 N ATOM 0 H GLN B 16 -16.439 1.731 3.860 1.00 10.00 H new ATOM 0 HA GLN B 16 -16.775 -0.576 5.430 1.00 10.00 H new ATOM 0 HB2 GLN B 16 -17.519 -0.216 3.059 1.00 10.00 H new ATOM 0 HB3 GLN B 16 -15.847 -0.337 2.546 1.00 10.00 H new ATOM 0 HG2 GLN B 16 -17.096 -2.455 2.241 1.00 10.00 H new ATOM 0 HG3 GLN B 16 -15.705 -2.638 3.291 1.00 10.00 H new ATOM 0 HE21 GLN B 16 -15.976 -3.115 5.493 1.00 10.00 H new ATOM 0 HE22 GLN B 16 -17.543 -3.583 6.162 1.00 10.00 H new ATOM 1032 N MET B 17 -13.697 0.088 4.505 1.00 10.00 N ATOM 1033 CA MET B 17 -12.305 -0.267 4.741 1.00 10.00 C ATOM 1034 C MET B 17 -11.988 -0.117 6.222 1.00 10.00 C ATOM 1035 O MET B 17 -11.401 -1.006 6.839 1.00 10.00 O ATOM 1036 CB MET B 17 -11.369 0.611 3.906 1.00 10.00 C ATOM 1037 CG MET B 17 -11.587 0.490 2.404 1.00 10.00 C ATOM 1038 SD MET B 17 -11.614 -1.222 1.830 1.00 10.00 S ATOM 1039 CE MET B 17 -9.902 -1.694 2.072 1.00 10.00 C ATOM 0 H MET B 17 -13.831 0.939 3.959 1.00 10.00 H new ATOM 0 HA MET B 17 -12.150 -1.303 4.440 1.00 10.00 H new ATOM 0 HB2 MET B 17 -11.504 1.652 4.200 1.00 10.00 H new ATOM 0 HB3 MET B 17 -10.337 0.346 4.136 1.00 10.00 H new ATOM 0 HG2 MET B 17 -12.529 0.971 2.139 1.00 10.00 H new ATOM 0 HG3 MET B 17 -10.796 1.030 1.883 1.00 10.00 H new ATOM 0 HE1 MET B 17 -9.747 -2.705 1.695 1.00 10.00 H new ATOM 0 HE2 MET B 17 -9.254 -1.003 1.533 1.00 10.00 H new ATOM 0 HE3 MET B 17 -9.662 -1.662 3.135 1.00 10.00 H new ATOM 1049 N LEU B 18 -12.416 1.001 6.792 1.00 10.00 N ATOM 1050 CA LEU B 18 -12.207 1.283 8.207 1.00 10.00 C ATOM 1051 C LEU B 18 -12.956 0.263 9.066 1.00 10.00 C ATOM 1052 O LEU B 18 -12.462 -0.181 10.102 1.00 10.00 O ATOM 1053 CB LEU B 18 -12.691 2.701 8.522 1.00 10.00 C ATOM 1054 CG LEU B 18 -12.515 3.153 9.972 1.00 10.00 C ATOM 1055 CD1 LEU B 18 -11.041 3.248 10.334 1.00 10.00 C ATOM 1056 CD2 LEU B 18 -13.207 4.487 10.195 1.00 10.00 C ATOM 0 H LEU B 18 -12.916 1.735 6.290 1.00 10.00 H new ATOM 0 HA LEU B 18 -11.144 1.209 8.435 1.00 10.00 H new ATOM 0 HB2 LEU B 18 -12.159 3.399 7.876 1.00 10.00 H new ATOM 0 HB3 LEU B 18 -13.748 2.770 8.264 1.00 10.00 H new ATOM 0 HG LEU B 18 -12.975 2.409 10.622 1.00 10.00 H new ATOM 0 HD11 LEU B 18 -10.941 3.571 11.370 1.00 10.00 H new ATOM 0 HD12 LEU B 18 -10.573 2.271 10.212 1.00 10.00 H new ATOM 0 HD13 LEU B 18 -10.551 3.970 9.680 1.00 10.00 H new ATOM 0 HD21 LEU B 18 -13.074 4.797 11.231 1.00 10.00 H new ATOM 0 HD22 LEU B 18 -12.773 5.237 9.533 1.00 10.00 H new ATOM 0 HD23 LEU B 18 -14.271 4.385 9.980 1.00 10.00 H new ATOM 1068 N SER B 19 -14.146 -0.111 8.613 1.00 10.00 N ATOM 1069 CA SER B 19 -14.980 -1.084 9.309 1.00 10.00 C ATOM 1070 C SER B 19 -14.309 -2.458 9.300 1.00 10.00 C ATOM 1071 O SER B 19 -14.515 -3.269 10.203 1.00 10.00 O ATOM 1072 CB SER B 19 -16.360 -1.162 8.642 1.00 10.00 C ATOM 1073 OG SER B 19 -17.400 -1.270 9.600 1.00 10.00 O ATOM 0 H SER B 19 -14.560 0.251 7.754 1.00 10.00 H new ATOM 0 HA SER B 19 -15.106 -0.766 10.344 1.00 10.00 H new ATOM 0 HB2 SER B 19 -16.519 -0.274 8.030 1.00 10.00 H new ATOM 0 HB3 SER B 19 -16.392 -2.021 7.971 1.00 10.00 H new ATOM 0 HG SER B 19 -18.264 -1.316 9.141 1.00 10.00 H new ATOM 1079 N MET B 20 -13.495 -2.700 8.278 1.00 10.00 N ATOM 1080 CA MET B 20 -12.781 -3.960 8.140 1.00 10.00 C ATOM 1081 C MET B 20 -11.515 -3.940 8.995 1.00 10.00 C ATOM 1082 O MET B 20 -10.902 -4.977 9.255 1.00 10.00 O ATOM 1083 CB MET B 20 -12.423 -4.192 6.669 1.00 10.00 C ATOM 1084 CG MET B 20 -11.935 -5.599 6.360 1.00 10.00 C ATOM 1085 SD MET B 20 -11.485 -5.818 4.627 1.00 10.00 S ATOM 1086 CE MET B 20 -13.041 -5.465 3.810 1.00 10.00 C ATOM 0 H MET B 20 -13.314 -2.033 7.528 1.00 10.00 H new ATOM 0 HA MET B 20 -13.420 -4.774 8.482 1.00 10.00 H new ATOM 0 HB2 MET B 20 -13.299 -3.981 6.056 1.00 10.00 H new ATOM 0 HB3 MET B 20 -11.651 -3.480 6.378 1.00 10.00 H new ATOM 0 HG2 MET B 20 -11.072 -5.825 6.986 1.00 10.00 H new ATOM 0 HG3 MET B 20 -12.715 -6.315 6.621 1.00 10.00 H new ATOM 0 HE1 MET B 20 -13.167 -6.137 2.961 1.00 10.00 H new ATOM 0 HE2 MET B 20 -13.862 -5.610 4.513 1.00 10.00 H new ATOM 0 HE3 MET B 20 -13.042 -4.433 3.459 1.00 10.00 H new ATOM 1096 N GLY B 21 -11.138 -2.748 9.435 1.00 10.00 N ATOM 1097 CA GLY B 21 -9.953 -2.596 10.254 1.00 10.00 C ATOM 1098 C GLY B 21 -8.772 -2.094 9.455 1.00 10.00 C ATOM 1099 O GLY B 21 -7.643 -2.086 9.943 1.00 10.00 O ATOM 0 H GLY B 21 -11.635 -1.879 9.238 1.00 10.00 H new ATOM 0 HA2 GLY B 21 -10.162 -1.901 11.068 1.00 10.00 H new ATOM 0 HA3 GLY B 21 -9.702 -3.554 10.709 1.00 10.00 H new ATOM 1103 N PHE B 22 -9.035 -1.665 8.231 1.00 10.00 N ATOM 1104 CA PHE B 22 -7.986 -1.163 7.361 1.00 10.00 C ATOM 1105 C PHE B 22 -7.980 0.360 7.337 1.00 10.00 C ATOM 1106 O PHE B 22 -8.977 1.000 7.005 1.00 10.00 O ATOM 1107 CB PHE B 22 -8.169 -1.709 5.944 1.00 10.00 C ATOM 1108 CG PHE B 22 -7.271 -2.865 5.623 1.00 10.00 C ATOM 1109 CD1 PHE B 22 -5.951 -2.650 5.265 1.00 10.00 C ATOM 1110 CD2 PHE B 22 -7.746 -4.167 5.667 1.00 10.00 C ATOM 1111 CE1 PHE B 22 -5.119 -3.708 4.966 1.00 10.00 C ATOM 1112 CE2 PHE B 22 -6.918 -5.232 5.370 1.00 10.00 C ATOM 1113 CZ PHE B 22 -5.602 -5.002 5.015 1.00 10.00 C ATOM 0 H PHE B 22 -9.968 -1.655 7.818 1.00 10.00 H new ATOM 0 HA PHE B 22 -7.028 -1.503 7.753 1.00 10.00 H new ATOM 0 HB2 PHE B 22 -9.206 -2.019 5.815 1.00 10.00 H new ATOM 0 HB3 PHE B 22 -7.984 -0.908 5.229 1.00 10.00 H new ATOM 0 HD1 PHE B 22 -5.568 -1.641 5.219 1.00 10.00 H new ATOM 0 HD2 PHE B 22 -8.776 -4.351 5.937 1.00 10.00 H new ATOM 0 HE1 PHE B 22 -4.090 -3.526 4.694 1.00 10.00 H new ATOM 0 HE2 PHE B 22 -7.298 -6.242 5.415 1.00 10.00 H new ATOM 0 HZ PHE B 22 -4.953 -5.831 4.777 1.00 10.00 H new ATOM 1123 N SER B 23 -6.843 0.927 7.691 1.00 10.00 N ATOM 1124 CA SER B 23 -6.665 2.366 7.705 1.00 10.00 C ATOM 1125 C SER B 23 -5.185 2.693 7.535 1.00 10.00 C ATOM 1126 O SER B 23 -4.324 1.859 7.835 1.00 10.00 O ATOM 1127 CB SER B 23 -7.203 2.958 9.009 1.00 10.00 C ATOM 1128 OG SER B 23 -6.983 2.077 10.100 1.00 10.00 O ATOM 0 H SER B 23 -6.016 0.403 7.977 1.00 10.00 H new ATOM 0 HA SER B 23 -7.224 2.807 6.880 1.00 10.00 H new ATOM 0 HB2 SER B 23 -6.717 3.914 9.206 1.00 10.00 H new ATOM 0 HB3 SER B 23 -8.270 3.158 8.908 1.00 10.00 H new ATOM 0 HG SER B 23 -7.334 2.480 10.922 1.00 10.00 H new ATOM 1134 N ASP B 24 -4.887 3.892 7.060 1.00 10.00 N ATOM 1135 CA ASP B 24 -3.502 4.294 6.846 1.00 10.00 C ATOM 1136 C ASP B 24 -2.989 5.160 7.988 1.00 10.00 C ATOM 1137 O ASP B 24 -3.750 5.588 8.858 1.00 10.00 O ATOM 1138 CB ASP B 24 -3.339 5.034 5.510 1.00 10.00 C ATOM 1139 CG ASP B 24 -4.390 6.104 5.260 1.00 10.00 C ATOM 1140 OD1 ASP B 24 -4.965 6.634 6.233 1.00 10.00 O ATOM 1141 OD2 ASP B 24 -4.636 6.419 4.077 1.00 10.00 O ATOM 0 H ASP B 24 -5.579 4.601 6.816 1.00 10.00 H new ATOM 0 HA ASP B 24 -2.906 3.382 6.814 1.00 10.00 H new ATOM 0 HB2 ASP B 24 -2.352 5.496 5.481 1.00 10.00 H new ATOM 0 HB3 ASP B 24 -3.375 4.308 4.698 1.00 10.00 H new ATOM 1146 N GLU B 25 -1.687 5.387 7.987 1.00 10.00 N ATOM 1147 CA GLU B 25 -1.026 6.196 9.001 1.00 10.00 C ATOM 1148 C GLU B 25 -0.479 7.462 8.353 1.00 10.00 C ATOM 1149 O GLU B 25 -0.689 8.572 8.843 1.00 10.00 O ATOM 1150 CB GLU B 25 0.115 5.407 9.667 1.00 10.00 C ATOM 1151 CG GLU B 25 0.317 4.001 9.107 1.00 10.00 C ATOM 1152 CD GLU B 25 1.023 3.986 7.759 1.00 10.00 C ATOM 1153 OE1 GLU B 25 0.543 4.658 6.823 1.00 10.00 O ATOM 1154 OE2 GLU B 25 2.049 3.289 7.632 1.00 10.00 O ATOM 0 H GLU B 25 -1.054 5.014 7.280 1.00 10.00 H new ATOM 0 HA GLU B 25 -1.749 6.462 9.772 1.00 10.00 H new ATOM 0 HB2 GLU B 25 1.043 5.967 9.554 1.00 10.00 H new ATOM 0 HB3 GLU B 25 -0.085 5.334 10.736 1.00 10.00 H new ATOM 0 HG2 GLU B 25 0.896 3.413 9.819 1.00 10.00 H new ATOM 0 HG3 GLU B 25 -0.653 3.514 9.007 1.00 10.00 H new ATOM 1161 N GLY B 26 0.225 7.278 7.239 1.00 10.00 N ATOM 1162 CA GLY B 26 0.786 8.399 6.512 1.00 10.00 C ATOM 1163 C GLY B 26 -0.122 8.842 5.383 1.00 10.00 C ATOM 1164 O GLY B 26 0.254 9.676 4.558 1.00 10.00 O ATOM 0 H GLY B 26 0.417 6.365 6.826 1.00 10.00 H new ATOM 0 HA2 GLY B 26 0.950 9.232 7.196 1.00 10.00 H new ATOM 0 HA3 GLY B 26 1.760 8.121 6.109 1.00 10.00 H new ATOM 1168 N GLY B 27 -1.314 8.264 5.343 1.00 10.00 N ATOM 1169 CA GLY B 27 -2.288 8.606 4.324 1.00 10.00 C ATOM 1170 C GLY B 27 -1.973 7.995 2.973 1.00 10.00 C ATOM 1171 O GLY B 27 -2.036 8.677 1.955 1.00 10.00 O ATOM 0 H GLY B 27 -1.627 7.556 6.007 1.00 10.00 H new ATOM 0 HA2 GLY B 27 -3.275 8.273 4.646 1.00 10.00 H new ATOM 0 HA3 GLY B 27 -2.335 9.690 4.224 1.00 10.00 H new ATOM 1175 N TRP B 28 -1.612 6.718 2.963 1.00 10.00 N ATOM 1176 CA TRP B 28 -1.288 6.036 1.717 1.00 10.00 C ATOM 1177 C TRP B 28 -2.499 5.269 1.162 1.00 10.00 C ATOM 1178 O TRP B 28 -2.627 5.093 -0.048 1.00 10.00 O ATOM 1179 CB TRP B 28 -0.083 5.101 1.916 1.00 10.00 C ATOM 1180 CG TRP B 28 -0.389 3.835 2.659 1.00 10.00 C ATOM 1181 CD1 TRP B 28 -0.364 3.649 4.010 1.00 10.00 C ATOM 1182 CD2 TRP B 28 -0.745 2.570 2.086 1.00 10.00 C ATOM 1183 NE1 TRP B 28 -0.691 2.352 4.314 1.00 10.00 N ATOM 1184 CE2 TRP B 28 -0.930 1.670 3.147 1.00 10.00 C ATOM 1185 CE3 TRP B 28 -0.932 2.118 0.776 1.00 10.00 C ATOM 1186 CZ2 TRP B 28 -1.289 0.339 2.939 1.00 10.00 C ATOM 1187 CZ3 TRP B 28 -1.288 0.798 0.570 1.00 10.00 C ATOM 1188 CH2 TRP B 28 -1.464 -0.077 1.647 1.00 10.00 C ATOM 0 H TRP B 28 -1.537 6.137 3.798 1.00 10.00 H new ATOM 0 HA TRP B 28 -1.020 6.792 0.979 1.00 10.00 H new ATOM 0 HB2 TRP B 28 0.325 4.843 0.939 1.00 10.00 H new ATOM 0 HB3 TRP B 28 0.695 5.643 2.453 1.00 10.00 H new ATOM 0 HD1 TRP B 28 -0.122 4.412 4.735 1.00 10.00 H new ATOM 0 HE1 TRP B 28 -0.747 1.959 5.253 1.00 10.00 H new ATOM 0 HE3 TRP B 28 -0.801 2.788 -0.060 1.00 10.00 H new ATOM 0 HZ2 TRP B 28 -1.424 -0.340 3.768 1.00 10.00 H new ATOM 0 HZ3 TRP B 28 -1.432 0.437 -0.438 1.00 10.00 H new ATOM 0 HH2 TRP B 28 -1.744 -1.102 1.455 1.00 10.00 H new ATOM 1199 N LEU B 29 -3.400 4.851 2.045 1.00 10.00 N ATOM 1200 CA LEU B 29 -4.582 4.095 1.639 1.00 10.00 C ATOM 1201 C LEU B 29 -5.607 5.020 1.001 1.00 10.00 C ATOM 1202 O LEU B 29 -6.252 4.667 0.012 1.00 10.00 O ATOM 1203 CB LEU B 29 -5.190 3.372 2.846 1.00 10.00 C ATOM 1204 CG LEU B 29 -6.326 2.389 2.530 1.00 10.00 C ATOM 1205 CD1 LEU B 29 -5.792 1.143 1.837 1.00 10.00 C ATOM 1206 CD2 LEU B 29 -7.067 2.012 3.802 1.00 10.00 C ATOM 0 H LEU B 29 -3.335 5.023 3.048 1.00 10.00 H new ATOM 0 HA LEU B 29 -4.284 3.349 0.902 1.00 10.00 H new ATOM 0 HB2 LEU B 29 -4.396 2.829 3.359 1.00 10.00 H new ATOM 0 HB3 LEU B 29 -5.566 4.121 3.543 1.00 10.00 H new ATOM 0 HG LEU B 29 -7.023 2.881 1.851 1.00 10.00 H new ATOM 0 HD11 LEU B 29 -6.617 0.463 1.624 1.00 10.00 H new ATOM 0 HD12 LEU B 29 -5.305 1.426 0.904 1.00 10.00 H new ATOM 0 HD13 LEU B 29 -5.071 0.646 2.486 1.00 10.00 H new ATOM 0 HD21 LEU B 29 -7.870 1.315 3.562 1.00 10.00 H new ATOM 0 HD22 LEU B 29 -6.375 1.542 4.501 1.00 10.00 H new ATOM 0 HD23 LEU B 29 -7.489 2.908 4.257 1.00 10.00 H new ATOM 1218 N THR B 30 -5.743 6.215 1.567 1.00 10.00 N ATOM 1219 CA THR B 30 -6.670 7.211 1.046 1.00 10.00 C ATOM 1220 C THR B 30 -6.287 7.595 -0.387 1.00 10.00 C ATOM 1221 O THR B 30 -7.139 7.971 -1.192 1.00 10.00 O ATOM 1222 CB THR B 30 -6.714 8.469 1.946 1.00 10.00 C ATOM 1223 OG1 THR B 30 -7.737 9.371 1.499 1.00 10.00 O ATOM 1224 CG2 THR B 30 -5.374 9.193 1.960 1.00 10.00 C ATOM 0 H THR B 30 -5.221 6.517 2.389 1.00 10.00 H new ATOM 0 HA THR B 30 -7.667 6.770 1.041 1.00 10.00 H new ATOM 0 HB THR B 30 -6.938 8.136 2.959 1.00 10.00 H new ATOM 0 HG1 THR B 30 -7.753 10.161 2.079 1.00 10.00 H new ATOM 0 HG21 THR B 30 -5.442 10.071 2.602 1.00 10.00 H new ATOM 0 HG22 THR B 30 -4.603 8.524 2.341 1.00 10.00 H new ATOM 0 HG23 THR B 30 -5.117 9.503 0.947 1.00 10.00 H new ATOM 1232 N ARG B 31 -4.998 7.473 -0.694 1.00 10.00 N ATOM 1233 CA ARG B 31 -4.488 7.780 -2.024 1.00 10.00 C ATOM 1234 C ARG B 31 -4.687 6.574 -2.932 1.00 10.00 C ATOM 1235 O ARG B 31 -5.034 6.708 -4.108 1.00 10.00 O ATOM 1236 CB ARG B 31 -3.002 8.145 -1.946 1.00 10.00 C ATOM 1237 CG ARG B 31 -2.701 9.257 -0.950 1.00 10.00 C ATOM 1238 CD ARG B 31 -3.033 10.632 -1.509 1.00 10.00 C ATOM 1239 NE ARG B 31 -2.070 11.047 -2.522 1.00 10.00 N ATOM 1240 CZ ARG B 31 -0.974 11.756 -2.264 1.00 10.00 C ATOM 1241 NH1 ARG B 31 -0.733 12.205 -1.035 1.00 10.00 N ATOM 1242 NH2 ARG B 31 -0.116 12.024 -3.237 1.00 10.00 N ATOM 0 H ARG B 31 -4.285 7.162 -0.034 1.00 10.00 H new ATOM 0 HA ARG B 31 -5.033 8.631 -2.433 1.00 10.00 H new ATOM 0 HB2 ARG B 31 -2.432 7.258 -1.671 1.00 10.00 H new ATOM 0 HB3 ARG B 31 -2.659 8.451 -2.934 1.00 10.00 H new ATOM 0 HG2 ARG B 31 -3.273 9.090 -0.037 1.00 10.00 H new ATOM 0 HG3 ARG B 31 -1.646 9.222 -0.677 1.00 10.00 H new ATOM 0 HD2 ARG B 31 -4.033 10.618 -1.942 1.00 10.00 H new ATOM 0 HD3 ARG B 31 -3.047 11.361 -0.699 1.00 10.00 H new ATOM 0 HE ARG B 31 -2.248 10.777 -3.489 1.00 10.00 H new ATOM 0 HH11 ARG B 31 -1.391 12.006 -0.281 1.00 10.00 H new ATOM 0 HH12 ARG B 31 0.110 12.748 -0.846 1.00 10.00 H new ATOM 0 HH21 ARG B 31 -0.296 11.687 -4.183 1.00 10.00 H new ATOM 0 HH22 ARG B 31 0.725 12.567 -3.040 1.00 10.00 H new ATOM 1256 N LEU B 32 -4.488 5.391 -2.360 1.00 10.00 N ATOM 1257 CA LEU B 32 -4.646 4.135 -3.083 1.00 10.00 C ATOM 1258 C LEU B 32 -6.057 4.012 -3.648 1.00 10.00 C ATOM 1259 O LEU B 32 -6.241 3.655 -4.809 1.00 10.00 O ATOM 1260 CB LEU B 32 -4.350 2.953 -2.154 1.00 10.00 C ATOM 1261 CG LEU B 32 -4.318 1.583 -2.836 1.00 10.00 C ATOM 1262 CD1 LEU B 32 -2.928 1.290 -3.381 1.00 10.00 C ATOM 1263 CD2 LEU B 32 -4.752 0.490 -1.868 1.00 10.00 C ATOM 0 H LEU B 32 -4.213 5.276 -1.384 1.00 10.00 H new ATOM 0 HA LEU B 32 -3.939 4.124 -3.912 1.00 10.00 H new ATOM 0 HB2 LEU B 32 -3.388 3.123 -1.670 1.00 10.00 H new ATOM 0 HB3 LEU B 32 -5.104 2.932 -1.367 1.00 10.00 H new ATOM 0 HG LEU B 32 -5.019 1.600 -3.670 1.00 10.00 H new ATOM 0 HD11 LEU B 32 -2.925 0.312 -3.862 1.00 10.00 H new ATOM 0 HD12 LEU B 32 -2.654 2.054 -4.109 1.00 10.00 H new ATOM 0 HD13 LEU B 32 -2.208 1.294 -2.563 1.00 10.00 H new ATOM 0 HD21 LEU B 32 -4.722 -0.476 -2.373 1.00 10.00 H new ATOM 0 HD22 LEU B 32 -4.077 0.473 -1.012 1.00 10.00 H new ATOM 0 HD23 LEU B 32 -5.767 0.689 -1.526 1.00 10.00 H new ATOM 1275 N LEU B 33 -7.048 4.350 -2.827 1.00 10.00 N ATOM 1276 CA LEU B 33 -8.451 4.281 -3.234 1.00 10.00 C ATOM 1277 C LEU B 33 -8.762 5.286 -4.342 1.00 10.00 C ATOM 1278 O LEU B 33 -9.790 5.193 -5.007 1.00 10.00 O ATOM 1279 CB LEU B 33 -9.364 4.540 -2.035 1.00 10.00 C ATOM 1280 CG LEU B 33 -9.403 3.419 -0.994 1.00 10.00 C ATOM 1281 CD1 LEU B 33 -10.181 3.860 0.236 1.00 10.00 C ATOM 1282 CD2 LEU B 33 -10.013 2.152 -1.585 1.00 10.00 C ATOM 0 H LEU B 33 -6.905 4.676 -1.871 1.00 10.00 H new ATOM 0 HA LEU B 33 -8.633 3.278 -3.621 1.00 10.00 H new ATOM 0 HB2 LEU B 33 -9.042 5.459 -1.545 1.00 10.00 H new ATOM 0 HB3 LEU B 33 -10.377 4.711 -2.400 1.00 10.00 H new ATOM 0 HG LEU B 33 -8.379 3.197 -0.695 1.00 10.00 H new ATOM 0 HD11 LEU B 33 -10.198 3.050 0.965 1.00 10.00 H new ATOM 0 HD12 LEU B 33 -9.701 4.734 0.676 1.00 10.00 H new ATOM 0 HD13 LEU B 33 -11.202 4.112 -0.050 1.00 10.00 H new ATOM 0 HD21 LEU B 33 -10.030 1.369 -0.827 1.00 10.00 H new ATOM 0 HD22 LEU B 33 -11.031 2.359 -1.917 1.00 10.00 H new ATOM 0 HD23 LEU B 33 -9.415 1.822 -2.434 1.00 10.00 H new ATOM 1294 N GLN B 34 -7.879 6.251 -4.532 1.00 10.00 N ATOM 1295 CA GLN B 34 -8.073 7.252 -5.567 1.00 10.00 C ATOM 1296 C GLN B 34 -7.362 6.835 -6.851 1.00 10.00 C ATOM 1297 O GLN B 34 -7.689 7.316 -7.935 1.00 10.00 O ATOM 1298 CB GLN B 34 -7.559 8.615 -5.096 1.00 10.00 C ATOM 1299 CG GLN B 34 -8.439 9.269 -4.043 1.00 10.00 C ATOM 1300 CD GLN B 34 -9.851 9.518 -4.530 1.00 10.00 C ATOM 1301 OE1 GLN B 34 -10.080 9.744 -5.720 1.00 10.00 O ATOM 1302 NE2 GLN B 34 -10.809 9.486 -3.618 1.00 10.00 N ATOM 0 H GLN B 34 -7.025 6.363 -3.986 1.00 10.00 H new ATOM 0 HA GLN B 34 -9.141 7.334 -5.771 1.00 10.00 H new ATOM 0 HB2 GLN B 34 -6.553 8.495 -4.693 1.00 10.00 H new ATOM 0 HB3 GLN B 34 -7.480 9.281 -5.956 1.00 10.00 H new ATOM 0 HG2 GLN B 34 -8.472 8.634 -3.158 1.00 10.00 H new ATOM 0 HG3 GLN B 34 -7.992 10.216 -3.740 1.00 10.00 H new ATOM 0 HE21 GLN B 34 -10.579 9.295 -2.643 1.00 10.00 H new ATOM 0 HE22 GLN B 34 -11.778 9.652 -3.890 1.00 10.00 H new ATOM 1311 N THR B 35 -6.389 5.941 -6.724 1.00 10.00 N ATOM 1312 CA THR B 35 -5.632 5.474 -7.877 1.00 10.00 C ATOM 1313 C THR B 35 -6.130 4.107 -8.367 1.00 10.00 C ATOM 1314 O THR B 35 -6.074 3.804 -9.562 1.00 10.00 O ATOM 1315 CB THR B 35 -4.126 5.396 -7.555 1.00 10.00 C ATOM 1316 OG1 THR B 35 -3.761 6.438 -6.634 1.00 10.00 O ATOM 1317 CG2 THR B 35 -3.300 5.539 -8.824 1.00 10.00 C ATOM 0 H THR B 35 -6.107 5.526 -5.836 1.00 10.00 H new ATOM 0 HA THR B 35 -5.787 6.200 -8.675 1.00 10.00 H new ATOM 0 HB THR B 35 -3.925 4.424 -7.105 1.00 10.00 H new ATOM 0 HG1 THR B 35 -4.190 6.275 -5.768 1.00 10.00 H new ATOM 0 HG21 THR B 35 -2.240 5.481 -8.577 1.00 10.00 H new ATOM 0 HG22 THR B 35 -3.555 4.737 -9.516 1.00 10.00 H new ATOM 0 HG23 THR B 35 -3.512 6.501 -9.290 1.00 10.00 H new ATOM 1325 N LYS B 36 -6.617 3.284 -7.440 1.00 10.00 N ATOM 1326 CA LYS B 36 -7.122 1.951 -7.772 1.00 10.00 C ATOM 1327 C LYS B 36 -8.648 1.913 -7.705 1.00 10.00 C ATOM 1328 O LYS B 36 -9.248 0.836 -7.715 1.00 10.00 O ATOM 1329 CB LYS B 36 -6.539 0.902 -6.814 1.00 10.00 C ATOM 1330 CG LYS B 36 -5.254 0.247 -7.306 1.00 10.00 C ATOM 1331 CD LYS B 36 -4.022 1.046 -6.915 1.00 10.00 C ATOM 1332 CE LYS B 36 -2.754 0.211 -7.036 1.00 10.00 C ATOM 1333 NZ LYS B 36 -2.282 0.110 -8.440 1.00 10.00 N ATOM 0 H LYS B 36 -6.673 3.517 -6.449 1.00 10.00 H new ATOM 0 HA LYS B 36 -6.810 1.720 -8.791 1.00 10.00 H new ATOM 0 HB2 LYS B 36 -6.346 1.374 -5.851 1.00 10.00 H new ATOM 0 HB3 LYS B 36 -7.286 0.127 -6.645 1.00 10.00 H new ATOM 0 HG2 LYS B 36 -5.179 -0.759 -6.894 1.00 10.00 H new ATOM 0 HG3 LYS B 36 -5.291 0.145 -8.391 1.00 10.00 H new ATOM 0 HD2 LYS B 36 -3.941 1.927 -7.552 1.00 10.00 H new ATOM 0 HD3 LYS B 36 -4.128 1.402 -5.890 1.00 10.00 H new ATOM 0 HE2 LYS B 36 -1.970 0.653 -6.422 1.00 10.00 H new ATOM 0 HE3 LYS B 36 -2.940 -0.789 -6.644 1.00 10.00 H new ATOM 0 HZ1 LYS B 36 -1.489 -0.561 -8.492 1.00 10.00 H new ATOM 0 HZ2 LYS B 36 -3.059 -0.225 -9.044 1.00 10.00 H new ATOM 0 HZ3 LYS B 36 -1.966 1.045 -8.768 1.00 10.00 H new ATOM 1347 N ASN B 37 -9.258 3.100 -7.633 1.00 10.00 N ATOM 1348 CA ASN B 37 -10.717 3.247 -7.552 1.00 10.00 C ATOM 1349 C ASN B 37 -11.230 2.788 -6.186 1.00 10.00 C ATOM 1350 O ASN B 37 -10.466 2.280 -5.364 1.00 10.00 O ATOM 1351 CB ASN B 37 -11.421 2.478 -8.684 1.00 10.00 C ATOM 1352 CG ASN B 37 -12.696 3.156 -9.154 1.00 10.00 C ATOM 1353 OD1 ASN B 37 -13.434 3.748 -8.367 1.00 10.00 O ATOM 1354 ND2 ASN B 37 -12.965 3.078 -10.447 1.00 10.00 N ATOM 0 H ASN B 37 -8.755 3.987 -7.629 1.00 10.00 H new ATOM 0 HA ASN B 37 -10.953 4.304 -7.672 1.00 10.00 H new ATOM 0 HB2 ASN B 37 -10.738 2.376 -9.527 1.00 10.00 H new ATOM 0 HB3 ASN B 37 -11.656 1.471 -8.341 1.00 10.00 H new ATOM 0 HD21 ASN B 37 -13.807 3.517 -10.820 1.00 10.00 H new ATOM 0 HD22 ASN B 37 -12.331 2.579 -11.071 1.00 10.00 H new ATOM 1361 N TYR B 38 -12.520 2.965 -5.948 1.00 10.00 N ATOM 1362 CA TYR B 38 -13.125 2.587 -4.675 1.00 10.00 C ATOM 1363 C TYR B 38 -13.554 1.120 -4.683 1.00 10.00 C ATOM 1364 O TYR B 38 -14.485 0.736 -3.980 1.00 10.00 O ATOM 1365 CB TYR B 38 -14.342 3.471 -4.379 1.00 10.00 C ATOM 1366 CG TYR B 38 -14.089 4.960 -4.510 1.00 10.00 C ATOM 1367 CD1 TYR B 38 -13.316 5.642 -3.580 1.00 10.00 C ATOM 1368 CD2 TYR B 38 -14.649 5.685 -5.555 1.00 10.00 C ATOM 1369 CE1 TYR B 38 -13.103 7.004 -3.689 1.00 10.00 C ATOM 1370 CE2 TYR B 38 -14.439 7.047 -5.674 1.00 10.00 C ATOM 1371 CZ TYR B 38 -13.668 7.701 -4.738 1.00 10.00 C ATOM 1372 OH TYR B 38 -13.469 9.061 -4.845 1.00 10.00 O ATOM 0 H TYR B 38 -13.172 3.369 -6.620 1.00 10.00 H new ATOM 0 HA TYR B 38 -12.375 2.728 -3.897 1.00 10.00 H new ATOM 0 HB2 TYR B 38 -15.150 3.192 -5.056 1.00 10.00 H new ATOM 0 HB3 TYR B 38 -14.688 3.263 -3.367 1.00 10.00 H new ATOM 0 HD1 TYR B 38 -12.874 5.100 -2.758 1.00 10.00 H new ATOM 0 HD2 TYR B 38 -15.259 5.176 -6.287 1.00 10.00 H new ATOM 0 HE1 TYR B 38 -12.498 7.519 -2.958 1.00 10.00 H new ATOM 0 HE2 TYR B 38 -14.877 7.594 -6.496 1.00 10.00 H new ATOM 0 HH TYR B 38 -13.933 9.398 -5.639 1.00 10.00 H new ATOM 1382 N ASP B 39 -12.872 0.306 -5.476 1.00 10.00 N ATOM 1383 CA ASP B 39 -13.201 -1.110 -5.560 1.00 10.00 C ATOM 1384 C ASP B 39 -12.490 -1.893 -4.465 1.00 10.00 C ATOM 1385 O ASP B 39 -11.263 -1.978 -4.440 1.00 10.00 O ATOM 1386 CB ASP B 39 -12.842 -1.678 -6.932 1.00 10.00 C ATOM 1387 CG ASP B 39 -13.277 -3.121 -7.074 1.00 10.00 C ATOM 1388 OD1 ASP B 39 -14.499 -3.376 -7.129 1.00 10.00 O ATOM 1389 OD2 ASP B 39 -12.407 -4.010 -7.125 1.00 10.00 O ATOM 0 H ASP B 39 -12.093 0.598 -6.066 1.00 10.00 H new ATOM 0 HA ASP B 39 -14.277 -1.210 -5.420 1.00 10.00 H new ATOM 0 HB2 ASP B 39 -13.315 -1.078 -7.709 1.00 10.00 H new ATOM 0 HB3 ASP B 39 -11.765 -1.606 -7.085 1.00 10.00 H new ATOM 1394 N ILE B 40 -13.276 -2.471 -3.568 1.00 10.00 N ATOM 1395 CA ILE B 40 -12.746 -3.241 -2.449 1.00 10.00 C ATOM 1396 C ILE B 40 -12.029 -4.502 -2.932 1.00 10.00 C ATOM 1397 O ILE B 40 -11.007 -4.898 -2.369 1.00 10.00 O ATOM 1398 CB ILE B 40 -13.871 -3.634 -1.464 1.00 10.00 C ATOM 1399 CG1 ILE B 40 -14.713 -2.406 -1.096 1.00 10.00 C ATOM 1400 CG2 ILE B 40 -13.286 -4.278 -0.213 1.00 10.00 C ATOM 1401 CD1 ILE B 40 -15.965 -2.741 -0.313 1.00 10.00 C ATOM 0 H ILE B 40 -14.294 -2.421 -3.594 1.00 10.00 H new ATOM 0 HA ILE B 40 -12.027 -2.604 -1.933 1.00 10.00 H new ATOM 0 HB ILE B 40 -14.519 -4.362 -1.952 1.00 10.00 H new ATOM 0 HG12 ILE B 40 -14.102 -1.719 -0.511 1.00 10.00 H new ATOM 0 HG13 ILE B 40 -14.995 -1.883 -2.009 1.00 10.00 H new ATOM 0 HG21 ILE B 40 -14.093 -4.548 0.469 1.00 10.00 H new ATOM 0 HG22 ILE B 40 -12.731 -5.174 -0.491 1.00 10.00 H new ATOM 0 HG23 ILE B 40 -12.616 -3.574 0.279 1.00 10.00 H new ATOM 0 HD11 ILE B 40 -16.510 -1.824 -0.088 1.00 10.00 H new ATOM 0 HD12 ILE B 40 -16.598 -3.403 -0.904 1.00 10.00 H new ATOM 0 HD13 ILE B 40 -15.690 -3.237 0.618 1.00 10.00 H new ATOM 1413 N GLY B 41 -12.561 -5.117 -3.987 1.00 10.00 N ATOM 1414 CA GLY B 41 -11.957 -6.328 -4.522 1.00 10.00 C ATOM 1415 C GLY B 41 -10.528 -6.106 -4.961 1.00 10.00 C ATOM 1416 O GLY B 41 -9.615 -6.805 -4.513 1.00 10.00 O ATOM 0 H GLY B 41 -13.396 -4.800 -4.479 1.00 10.00 H new ATOM 0 HA2 GLY B 41 -11.985 -7.111 -3.765 1.00 10.00 H new ATOM 0 HA3 GLY B 41 -12.545 -6.682 -5.369 1.00 10.00 H new ATOM 1420 N ALA B 42 -10.336 -5.119 -5.828 1.00 10.00 N ATOM 1421 CA ALA B 42 -9.014 -4.785 -6.332 1.00 10.00 C ATOM 1422 C ALA B 42 -8.085 -4.405 -5.188 1.00 10.00 C ATOM 1423 O ALA B 42 -6.922 -4.801 -5.159 1.00 10.00 O ATOM 1424 CB ALA B 42 -9.104 -3.644 -7.334 1.00 10.00 C ATOM 0 H ALA B 42 -11.086 -4.534 -6.197 1.00 10.00 H new ATOM 0 HA ALA B 42 -8.606 -5.663 -6.833 1.00 10.00 H new ATOM 0 HB1 ALA B 42 -8.107 -3.404 -7.703 1.00 10.00 H new ATOM 0 HB2 ALA B 42 -9.738 -3.942 -8.169 1.00 10.00 H new ATOM 0 HB3 ALA B 42 -9.532 -2.767 -6.849 1.00 10.00 H new ATOM 1430 N ALA B 43 -8.621 -3.652 -4.233 1.00 10.00 N ATOM 1431 CA ALA B 43 -7.861 -3.199 -3.072 1.00 10.00 C ATOM 1432 C ALA B 43 -7.297 -4.366 -2.261 1.00 10.00 C ATOM 1433 O ALA B 43 -6.102 -4.409 -1.974 1.00 10.00 O ATOM 1434 CB ALA B 43 -8.727 -2.311 -2.192 1.00 10.00 C ATOM 0 H ALA B 43 -9.592 -3.339 -4.241 1.00 10.00 H new ATOM 0 HA ALA B 43 -7.013 -2.623 -3.441 1.00 10.00 H new ATOM 0 HB1 ALA B 43 -8.149 -1.979 -1.329 1.00 10.00 H new ATOM 0 HB2 ALA B 43 -9.057 -1.443 -2.763 1.00 10.00 H new ATOM 0 HB3 ALA B 43 -9.597 -2.873 -1.852 1.00 10.00 H new ATOM 1440 N LEU B 44 -8.155 -5.316 -1.913 1.00 10.00 N ATOM 1441 CA LEU B 44 -7.747 -6.477 -1.123 1.00 10.00 C ATOM 1442 C LEU B 44 -6.742 -7.345 -1.874 1.00 10.00 C ATOM 1443 O LEU B 44 -5.770 -7.840 -1.300 1.00 10.00 O ATOM 1444 CB LEU B 44 -8.974 -7.311 -0.762 1.00 10.00 C ATOM 1445 CG LEU B 44 -9.361 -7.292 0.719 1.00 10.00 C ATOM 1446 CD1 LEU B 44 -9.810 -5.903 1.142 1.00 10.00 C ATOM 1447 CD2 LEU B 44 -10.448 -8.320 1.011 1.00 10.00 C ATOM 0 H LEU B 44 -9.143 -5.308 -2.165 1.00 10.00 H new ATOM 0 HA LEU B 44 -7.264 -6.111 -0.217 1.00 10.00 H new ATOM 0 HB2 LEU B 44 -9.821 -6.954 -1.347 1.00 10.00 H new ATOM 0 HB3 LEU B 44 -8.793 -8.343 -1.061 1.00 10.00 H new ATOM 0 HG LEU B 44 -8.478 -7.557 1.300 1.00 10.00 H new ATOM 0 HD11 LEU B 44 -10.080 -5.914 2.198 1.00 10.00 H new ATOM 0 HD12 LEU B 44 -8.998 -5.194 0.982 1.00 10.00 H new ATOM 0 HD13 LEU B 44 -10.675 -5.604 0.549 1.00 10.00 H new ATOM 0 HD21 LEU B 44 -10.705 -8.287 2.070 1.00 10.00 H new ATOM 0 HD22 LEU B 44 -11.332 -8.094 0.415 1.00 10.00 H new ATOM 0 HD23 LEU B 44 -10.085 -9.316 0.757 1.00 10.00 H new ATOM 1459 N ASP B 45 -6.985 -7.516 -3.163 1.00 10.00 N ATOM 1460 CA ASP B 45 -6.118 -8.330 -4.010 1.00 10.00 C ATOM 1461 C ASP B 45 -4.745 -7.676 -4.188 1.00 10.00 C ATOM 1462 O ASP B 45 -3.779 -8.332 -4.574 1.00 10.00 O ATOM 1463 CB ASP B 45 -6.770 -8.542 -5.384 1.00 10.00 C ATOM 1464 CG ASP B 45 -6.060 -9.586 -6.237 1.00 10.00 C ATOM 1465 OD1 ASP B 45 -5.527 -10.567 -5.673 1.00 10.00 O ATOM 1466 OD2 ASP B 45 -6.046 -9.441 -7.478 1.00 10.00 O ATOM 0 H ASP B 45 -7.779 -7.101 -3.651 1.00 10.00 H new ATOM 0 HA ASP B 45 -5.979 -9.294 -3.520 1.00 10.00 H new ATOM 0 HB2 ASP B 45 -7.808 -8.844 -5.243 1.00 10.00 H new ATOM 0 HB3 ASP B 45 -6.784 -7.594 -5.921 1.00 10.00 H new ATOM 1471 N THR B 46 -4.666 -6.383 -3.889 1.00 10.00 N ATOM 1472 CA THR B 46 -3.420 -5.636 -4.043 1.00 10.00 C ATOM 1473 C THR B 46 -2.286 -6.121 -3.128 1.00 10.00 C ATOM 1474 O THR B 46 -1.121 -6.139 -3.545 1.00 10.00 O ATOM 1475 CB THR B 46 -3.649 -4.130 -3.779 1.00 10.00 C ATOM 1476 OG1 THR B 46 -4.673 -3.635 -4.643 1.00 10.00 O ATOM 1477 CG2 THR B 46 -2.373 -3.330 -4.007 1.00 10.00 C ATOM 0 H THR B 46 -5.449 -5.830 -3.539 1.00 10.00 H new ATOM 0 HA THR B 46 -3.110 -5.810 -5.073 1.00 10.00 H new ATOM 0 HB THR B 46 -3.951 -4.015 -2.738 1.00 10.00 H new ATOM 0 HG1 THR B 46 -5.518 -4.088 -4.441 1.00 10.00 H new ATOM 0 HG21 THR B 46 -2.566 -2.275 -3.814 1.00 10.00 H new ATOM 0 HG22 THR B 46 -1.595 -3.686 -3.332 1.00 10.00 H new ATOM 0 HG23 THR B 46 -2.044 -3.456 -5.039 1.00 10.00 H new ATOM 1485 N ILE B 47 -2.595 -6.519 -1.897 1.00 10.00 N ATOM 1486 CA ILE B 47 -1.531 -6.912 -0.965 1.00 10.00 C ATOM 1487 C ILE B 47 -1.703 -8.313 -0.365 1.00 10.00 C ATOM 1488 O ILE B 47 -1.196 -8.578 0.732 1.00 10.00 O ATOM 1489 CB ILE B 47 -1.404 -5.885 0.183 1.00 10.00 C ATOM 1490 CG1 ILE B 47 -2.701 -5.830 0.996 1.00 10.00 C ATOM 1491 CG2 ILE B 47 -1.050 -4.505 -0.366 1.00 10.00 C ATOM 1492 CD1 ILE B 47 -2.551 -5.100 2.315 1.00 10.00 C ATOM 0 H ILE B 47 -3.543 -6.579 -1.525 1.00 10.00 H new ATOM 0 HA ILE B 47 -0.622 -6.935 -1.566 1.00 10.00 H new ATOM 0 HB ILE B 47 -0.598 -6.203 0.844 1.00 10.00 H new ATOM 0 HG12 ILE B 47 -3.473 -5.339 0.403 1.00 10.00 H new ATOM 0 HG13 ILE B 47 -3.045 -6.846 1.188 1.00 10.00 H new ATOM 0 HG21 ILE B 47 -0.965 -3.796 0.458 1.00 10.00 H new ATOM 0 HG22 ILE B 47 -0.100 -4.558 -0.898 1.00 10.00 H new ATOM 0 HG23 ILE B 47 -1.831 -4.174 -1.050 1.00 10.00 H new ATOM 0 HD11 ILE B 47 -3.506 -5.098 2.840 1.00 10.00 H new ATOM 0 HD12 ILE B 47 -1.802 -5.603 2.926 1.00 10.00 H new ATOM 0 HD13 ILE B 47 -2.237 -4.073 2.129 1.00 10.00 H new ATOM 1504 N GLN B 48 -2.396 -9.202 -1.081 1.00 10.00 N ATOM 1505 CA GLN B 48 -2.631 -10.594 -0.638 1.00 10.00 C ATOM 1506 C GLN B 48 -3.619 -10.679 0.531 1.00 10.00 C ATOM 1507 O GLN B 48 -4.605 -11.416 0.458 1.00 10.00 O ATOM 1508 CB GLN B 48 -1.322 -11.296 -0.237 1.00 10.00 C ATOM 1509 CG GLN B 48 -0.819 -12.324 -1.242 1.00 10.00 C ATOM 1510 CD GLN B 48 -1.723 -13.540 -1.370 1.00 10.00 C ATOM 1511 OE1 GLN B 48 -2.642 -13.495 -2.320 1.00 10.00 O flip ATOM 1512 NE2 GLN B 48 -1.579 -14.520 -0.637 1.00 10.00 N flip ATOM 0 H GLN B 48 -2.814 -8.985 -1.986 1.00 10.00 H new ATOM 0 HA GLN B 48 -3.065 -11.104 -1.498 1.00 10.00 H new ATOM 0 HB2 GLN B 48 -0.550 -10.541 -0.093 1.00 10.00 H new ATOM 0 HB3 GLN B 48 -1.469 -11.789 0.724 1.00 10.00 H new ATOM 0 HG2 GLN B 48 -0.722 -11.849 -2.218 1.00 10.00 H new ATOM 0 HG3 GLN B 48 0.178 -12.652 -0.947 1.00 10.00 H new ATOM 0 HE21 GLN B 48 -0.858 -14.516 0.084 1.00 10.00 H new ATOM 0 HE22 GLN B 48 -2.181 -15.336 -0.752 1.00 10.00 H new ATOM 1521 N TYR B 49 -3.333 -9.935 1.599 1.00 10.00 N ATOM 1522 CA TYR B 49 -4.164 -9.915 2.807 1.00 10.00 C ATOM 1523 C TYR B 49 -5.644 -9.746 2.481 1.00 10.00 C ATOM 1524 O TYR B 49 -6.083 -8.690 2.028 1.00 10.00 O ATOM 1525 CB TYR B 49 -3.704 -8.791 3.744 1.00 10.00 C ATOM 1526 CG TYR B 49 -2.355 -9.045 4.392 1.00 10.00 C ATOM 1527 CD1 TYR B 49 -1.177 -8.694 3.748 1.00 10.00 C ATOM 1528 CD2 TYR B 49 -2.264 -9.636 5.646 1.00 10.00 C ATOM 1529 CE1 TYR B 49 0.054 -8.924 4.330 1.00 10.00 C ATOM 1530 CE2 TYR B 49 -1.036 -9.870 6.236 1.00 10.00 C ATOM 1531 CZ TYR B 49 0.119 -9.513 5.574 1.00 10.00 C ATOM 1532 OH TYR B 49 1.344 -9.747 6.156 1.00 10.00 O ATOM 0 H TYR B 49 -2.516 -9.326 1.653 1.00 10.00 H new ATOM 0 HA TYR B 49 -4.043 -10.878 3.302 1.00 10.00 H new ATOM 0 HB2 TYR B 49 -3.656 -7.859 3.181 1.00 10.00 H new ATOM 0 HB3 TYR B 49 -4.452 -8.654 4.525 1.00 10.00 H new ATOM 0 HD1 TYR B 49 -1.224 -8.232 2.773 1.00 10.00 H new ATOM 0 HD2 TYR B 49 -3.167 -9.917 6.168 1.00 10.00 H new ATOM 0 HE1 TYR B 49 0.960 -8.644 3.813 1.00 10.00 H new ATOM 0 HE2 TYR B 49 -0.982 -10.331 7.211 1.00 10.00 H new ATOM 0 HH TYR B 49 1.215 -10.167 7.032 1.00 10.00 H new ATOM 1542 N SER B 50 -6.402 -10.807 2.709 1.00 10.00 N ATOM 1543 CA SER B 50 -7.830 -10.808 2.447 1.00 10.00 C ATOM 1544 C SER B 50 -8.562 -11.636 3.499 1.00 10.00 C ATOM 1545 O SER B 50 -9.277 -11.103 4.347 1.00 10.00 O ATOM 1546 CB SER B 50 -8.088 -11.367 1.043 1.00 10.00 C ATOM 1547 OG SER B 50 -7.221 -12.461 0.771 1.00 10.00 O ATOM 0 H SER B 50 -6.045 -11.688 3.079 1.00 10.00 H new ATOM 0 HA SER B 50 -8.208 -9.787 2.499 1.00 10.00 H new ATOM 0 HB2 SER B 50 -9.126 -11.689 0.959 1.00 10.00 H new ATOM 0 HB3 SER B 50 -7.937 -10.583 0.301 1.00 10.00 H new ATOM 0 HG SER B 50 -6.318 -12.126 0.593 1.00 10.00 H new ATOM 1553 N LYS B 51 -8.363 -12.945 3.444 1.00 10.00 N ATOM 1554 CA LYS B 51 -8.988 -13.859 4.389 1.00 10.00 C ATOM 1555 C LYS B 51 -8.253 -13.818 5.724 1.00 10.00 C ATOM 1556 O LYS B 51 -8.871 -13.829 6.788 1.00 10.00 O ATOM 1557 CB LYS B 51 -8.985 -15.278 3.826 1.00 10.00 C ATOM 1558 CG LYS B 51 -9.787 -15.427 2.544 1.00 10.00 C ATOM 1559 CD LYS B 51 -9.256 -16.553 1.673 1.00 10.00 C ATOM 1560 CE LYS B 51 -9.546 -17.915 2.276 1.00 10.00 C ATOM 1561 NZ LYS B 51 -9.034 -19.021 1.428 1.00 10.00 N ATOM 0 H LYS B 51 -7.770 -13.400 2.750 1.00 10.00 H new ATOM 0 HA LYS B 51 -10.020 -13.548 4.550 1.00 10.00 H new ATOM 0 HB2 LYS B 51 -7.956 -15.583 3.638 1.00 10.00 H new ATOM 0 HB3 LYS B 51 -9.387 -15.958 4.577 1.00 10.00 H new ATOM 0 HG2 LYS B 51 -10.832 -15.619 2.789 1.00 10.00 H new ATOM 0 HG3 LYS B 51 -9.757 -14.491 1.986 1.00 10.00 H new ATOM 0 HD2 LYS B 51 -9.707 -16.490 0.683 1.00 10.00 H new ATOM 0 HD3 LYS B 51 -8.180 -16.435 1.542 1.00 10.00 H new ATOM 0 HE2 LYS B 51 -9.092 -17.977 3.265 1.00 10.00 H new ATOM 0 HE3 LYS B 51 -10.622 -18.030 2.411 1.00 10.00 H new ATOM 0 HZ1 LYS B 51 -9.254 -19.933 1.877 1.00 10.00 H new ATOM 0 HZ2 LYS B 51 -9.485 -18.978 0.492 1.00 10.00 H new ATOM 0 HZ3 LYS B 51 -8.004 -18.927 1.320 1.00 10.00 H new ATOM 1575 N HIS B 52 -6.934 -13.748 5.651 1.00 10.00 N ATOM 1576 CA HIS B 52 -6.088 -13.690 6.828 1.00 10.00 C ATOM 1577 C HIS B 52 -4.701 -13.251 6.397 1.00 10.00 C ATOM 1578 O HIS B 52 -3.830 -13.053 7.271 1.00 10.00 O ATOM 1579 CB HIS B 52 -6.024 -15.054 7.535 1.00 10.00 C ATOM 1580 CG HIS B 52 -5.694 -14.968 8.997 1.00 10.00 C ATOM 1581 ND1 HIS B 52 -4.618 -14.263 9.484 1.00 10.00 N ATOM 1582 CD2 HIS B 52 -6.312 -15.501 10.079 1.00 10.00 C ATOM 1583 CE1 HIS B 52 -4.582 -14.361 10.798 1.00 10.00 C ATOM 1584 NE2 HIS B 52 -5.599 -15.111 11.188 1.00 10.00 N ATOM 1585 OXT HIS B 52 -4.489 -13.117 5.175 1.00 10.00 O ATOM 0 H HIS B 52 -6.420 -13.730 4.770 1.00 10.00 H new ATOM 0 HA HIS B 52 -6.505 -12.977 7.539 1.00 10.00 H new ATOM 0 HB2 HIS B 52 -6.984 -15.558 7.418 1.00 10.00 H new ATOM 0 HB3 HIS B 52 -5.276 -15.674 7.040 1.00 10.00 H new ATOM 0 HD1 HIS B 52 -3.950 -13.743 8.915 1.00 10.00 H new ATOM 0 HD2 HIS B 52 -7.199 -16.117 10.072 1.00 10.00 H new ATOM 0 HE1 HIS B 52 -3.847 -13.906 11.446 1.00 10.00 H new TER 1594 HIS B 52