USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 667 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 58 MET CE :methyl -152:sc= -2.88 (180deg=-3.71) USER MOD Set 1.2: A 68 LYS NZ :NH3+ -120:sc= 1.02 (180deg=0.0896) USER MOD Set 2.1: A 46 MET CE :methyl -117:sc= -2.08 (180deg=-4.55!) USER MOD Set 2.2: B 9 ASN :FLIP amide:sc= -1.99 F(o=-9.3!,f=-4.1) USER MOD Set 3.1: A 33 GLN : amide:sc= -0.709 K(o=-11,f=-11) USER MOD Set 3.2: A 36 HIS : no HE2:sc= -9.83! C(o=-11!,f=-10!) USER MOD Single : A 8 THR OG1 : rot -33:sc= 0.0238 USER MOD Single : A 10 SER OG : rot 180:sc=0.000349 USER MOD Single : A 11 MET CE :methyl -143:sc= -3.33 (180deg=-5.68!) USER MOD Single : A 14 SER OG : rot 87:sc= 0.309 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 20 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.333 K(o=-0.33,f=-2.6) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -174:sc= 0 (180deg=-0.0123) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= -1.05 (180deg=-1.38) USER MOD Single : A 44 THR OG1 : rot 83:sc= -0.56! USER MOD Single : A 52 ASN :FLIP amide:sc= -6! C(o=-6.7!,f=-6!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.4) USER MOD Single : A 61 SER OG : rot 73:sc= 0.245 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0808 K(o=-0.081,f=-0.65) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 SER OG : rot 60:sc= 0.365 USER MOD Single : B 14 TYR OH : rot 180:sc= 0.00192 USER MOD Single : B 16 SER OG : rot 81:sc= -1.08! USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -3.273 -8.610 -11.125 1.00 0.00 N ATOM 95 CA THR A 8 -3.925 -7.308 -11.128 1.00 0.00 C ATOM 96 C THR A 8 -4.866 -7.177 -12.309 1.00 0.00 C ATOM 97 O THR A 8 -5.947 -6.602 -12.184 1.00 0.00 O ATOM 98 CB THR A 8 -2.872 -6.197 -11.184 1.00 0.00 C ATOM 99 OG1 THR A 8 -2.177 -6.233 -12.419 1.00 0.00 O ATOM 100 CG2 THR A 8 -1.838 -6.287 -10.080 1.00 0.00 C ATOM 0 HA THR A 8 -4.505 -7.215 -10.210 1.00 0.00 H new ATOM 0 HB THR A 8 -3.429 -5.268 -11.062 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.105 -7.161 -12.727 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.125 -5.469 -10.182 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.333 -6.218 -9.111 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.311 -7.239 -10.151 1.00 0.00 H new ATOM 108 N ALA A 9 -4.486 -7.739 -13.446 1.00 0.00 N ATOM 109 CA ALA A 9 -5.349 -7.694 -14.611 1.00 0.00 C ATOM 110 C ALA A 9 -6.672 -8.369 -14.281 1.00 0.00 C ATOM 111 O ALA A 9 -7.718 -7.722 -14.232 1.00 0.00 O ATOM 112 CB ALA A 9 -4.680 -8.362 -15.804 1.00 0.00 C ATOM 0 H ALA A 9 -3.599 -8.224 -13.584 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.537 -6.654 -14.880 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.345 -8.317 -16.666 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.749 -7.845 -16.036 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.466 -9.404 -15.565 1.00 0.00 H new ATOM 118 N SER A 10 -6.625 -9.684 -14.087 1.00 0.00 N ATOM 119 CA SER A 10 -7.828 -10.457 -13.796 1.00 0.00 C ATOM 120 C SER A 10 -8.560 -9.926 -12.566 1.00 0.00 C ATOM 121 O SER A 10 -9.773 -10.118 -12.434 1.00 0.00 O ATOM 122 CB SER A 10 -7.468 -11.929 -13.581 1.00 0.00 C ATOM 123 OG SER A 10 -6.364 -12.060 -12.702 1.00 0.00 O ATOM 0 H SER A 10 -5.768 -10.236 -14.126 1.00 0.00 H new ATOM 0 HA SER A 10 -8.494 -10.360 -14.653 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.327 -12.461 -13.173 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.232 -12.393 -14.539 1.00 0.00 H new ATOM 0 HG SER A 10 -6.154 -13.009 -12.579 1.00 0.00 H new ATOM 129 N MET A 11 -7.843 -9.238 -11.679 1.00 0.00 N ATOM 130 CA MET A 11 -8.476 -8.685 -10.489 1.00 0.00 C ATOM 131 C MET A 11 -9.516 -7.655 -10.896 1.00 0.00 C ATOM 132 O MET A 11 -10.631 -7.633 -10.374 1.00 0.00 O ATOM 133 CB MET A 11 -7.432 -8.045 -9.568 1.00 0.00 C ATOM 134 CG MET A 11 -7.024 -8.930 -8.401 1.00 0.00 C ATOM 135 SD MET A 11 -8.204 -8.874 -7.039 1.00 0.00 S ATOM 136 CE MET A 11 -7.314 -7.861 -5.860 1.00 0.00 C ATOM 0 H MET A 11 -6.843 -9.054 -11.760 1.00 0.00 H new ATOM 0 HA MET A 11 -8.963 -9.493 -9.943 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.546 -7.799 -10.153 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.829 -7.107 -9.180 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.924 -9.959 -8.748 1.00 0.00 H new ATOM 0 HG3 MET A 11 -6.044 -8.619 -8.040 1.00 0.00 H new ATOM 0 HE1 MET A 11 -7.503 -8.227 -4.851 1.00 0.00 H new ATOM 0 HE2 MET A 11 -6.246 -7.911 -6.070 1.00 0.00 H new ATOM 0 HE3 MET A 11 -7.651 -6.828 -5.940 1.00 0.00 H new ATOM 146 N LEU A 12 -9.143 -6.809 -11.838 1.00 0.00 N ATOM 147 CA LEU A 12 -10.041 -5.776 -12.333 1.00 0.00 C ATOM 148 C LEU A 12 -11.228 -6.397 -13.060 1.00 0.00 C ATOM 149 O LEU A 12 -12.374 -6.228 -12.646 1.00 0.00 O ATOM 150 CB LEU A 12 -9.294 -4.804 -13.251 1.00 0.00 C ATOM 151 CG LEU A 12 -9.656 -3.323 -13.067 1.00 0.00 C ATOM 152 CD1 LEU A 12 -10.987 -3.012 -13.736 1.00 0.00 C ATOM 153 CD2 LEU A 12 -9.700 -2.945 -11.590 1.00 0.00 C ATOM 0 H LEU A 12 -8.223 -6.815 -12.278 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.419 -5.216 -11.478 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.223 -4.923 -13.086 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.490 -5.084 -14.286 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.878 -2.726 -13.543 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.227 -1.958 -13.595 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.918 -3.229 -14.802 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.770 -3.625 -13.291 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.959 -1.891 -11.492 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.449 -3.551 -11.081 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.723 -3.122 -11.140 1.00 0.00 H new ATOM 165 N ALA A 13 -10.955 -7.126 -14.141 1.00 0.00 N ATOM 166 CA ALA A 13 -12.010 -7.778 -14.914 1.00 0.00 C ATOM 167 C ALA A 13 -12.631 -8.953 -14.155 1.00 0.00 C ATOM 168 O ALA A 13 -13.362 -9.756 -14.732 1.00 0.00 O ATOM 169 CB ALA A 13 -11.449 -8.262 -16.232 1.00 0.00 C ATOM 0 H ALA A 13 -10.013 -7.280 -14.501 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.796 -7.044 -15.089 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.238 -8.748 -16.807 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.060 -7.414 -16.795 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.645 -8.974 -16.046 1.00 0.00 H new ATOM 175 N SER A 14 -12.361 -9.027 -12.859 1.00 0.00 N ATOM 176 CA SER A 14 -12.918 -10.078 -12.016 1.00 0.00 C ATOM 177 C SER A 14 -14.277 -9.648 -11.470 1.00 0.00 C ATOM 178 O SER A 14 -15.181 -10.467 -11.307 1.00 0.00 O ATOM 179 CB SER A 14 -11.970 -10.401 -10.859 1.00 0.00 C ATOM 180 OG SER A 14 -11.492 -11.730 -10.945 1.00 0.00 O ATOM 0 H SER A 14 -11.757 -8.369 -12.366 1.00 0.00 H new ATOM 0 HA SER A 14 -13.044 -10.975 -12.623 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.129 -9.708 -10.870 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.488 -10.259 -9.910 1.00 0.00 H new ATOM 0 HG SER A 14 -10.695 -11.755 -11.515 1.00 0.00 H new ATOM 186 N ALA A 15 -14.405 -8.357 -11.163 1.00 0.00 N ATOM 187 CA ALA A 15 -15.646 -7.825 -10.605 1.00 0.00 C ATOM 188 C ALA A 15 -16.146 -6.602 -11.376 1.00 0.00 C ATOM 189 O ALA A 15 -16.111 -5.479 -10.869 1.00 0.00 O ATOM 190 CB ALA A 15 -15.440 -7.476 -9.140 1.00 0.00 C ATOM 0 H ALA A 15 -13.668 -7.664 -11.291 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.410 -8.597 -10.695 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.367 -7.079 -8.727 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.151 -8.371 -8.590 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.654 -6.726 -9.052 1.00 0.00 H new ATOM 196 N PRO A 16 -16.621 -6.807 -12.621 1.00 0.00 N ATOM 197 CA PRO A 16 -17.131 -5.729 -13.468 1.00 0.00 C ATOM 198 C PRO A 16 -18.011 -4.732 -12.702 1.00 0.00 C ATOM 199 O PRO A 16 -17.792 -3.522 -12.787 1.00 0.00 O ATOM 200 CB PRO A 16 -17.959 -6.452 -14.545 1.00 0.00 C ATOM 201 CG PRO A 16 -17.793 -7.925 -14.308 1.00 0.00 C ATOM 202 CD PRO A 16 -16.687 -8.105 -13.301 1.00 0.00 C ATOM 0 HA PRO A 16 -16.314 -5.132 -13.873 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.009 -6.167 -14.481 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.615 -6.180 -15.543 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.722 -8.360 -13.938 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.550 -8.437 -15.239 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.909 -8.912 -12.603 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.742 -8.352 -13.784 1.00 0.00 H new ATOM 210 N PRO A 17 -19.022 -5.220 -11.953 1.00 0.00 N ATOM 211 CA PRO A 17 -19.929 -4.356 -11.183 1.00 0.00 C ATOM 212 C PRO A 17 -19.187 -3.363 -10.294 1.00 0.00 C ATOM 213 O PRO A 17 -18.003 -3.111 -10.485 1.00 0.00 O ATOM 214 CB PRO A 17 -20.718 -5.341 -10.322 1.00 0.00 C ATOM 215 CG PRO A 17 -20.691 -6.616 -11.084 1.00 0.00 C ATOM 216 CD PRO A 17 -19.371 -6.646 -11.806 1.00 0.00 C ATOM 0 HA PRO A 17 -20.547 -3.743 -11.839 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -20.264 -5.458 -9.338 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.740 -4.997 -10.163 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.788 -7.471 -10.415 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.521 -6.666 -11.788 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -18.615 -7.187 -11.237 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -19.455 -7.140 -12.774 1.00 0.00 H new ATOM 224 N GLN A 18 -19.900 -2.803 -9.321 1.00 0.00 N ATOM 225 CA GLN A 18 -19.322 -1.828 -8.396 1.00 0.00 C ATOM 226 C GLN A 18 -18.055 -2.349 -7.729 1.00 0.00 C ATOM 227 O GLN A 18 -17.291 -1.573 -7.153 1.00 0.00 O ATOM 228 CB GLN A 18 -20.346 -1.428 -7.334 1.00 0.00 C ATOM 229 CG GLN A 18 -20.973 -2.608 -6.608 1.00 0.00 C ATOM 230 CD GLN A 18 -22.092 -2.190 -5.675 1.00 0.00 C ATOM 231 OE1 GLN A 18 -22.495 -1.026 -5.653 1.00 0.00 O ATOM 232 NE2 GLN A 18 -22.601 -3.137 -4.897 1.00 0.00 N ATOM 0 H GLN A 18 -20.885 -3.008 -9.151 1.00 0.00 H new ATOM 0 HA GLN A 18 -19.048 -0.952 -8.983 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.863 -0.779 -6.603 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.135 -0.843 -7.806 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -21.361 -3.316 -7.340 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.204 -3.129 -6.037 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -22.237 -4.089 -4.948 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -23.356 -2.913 -4.249 1.00 0.00 H new ATOM 241 N GLU A 19 -17.816 -3.656 -7.809 1.00 0.00 N ATOM 242 CA GLU A 19 -16.625 -4.245 -7.215 1.00 0.00 C ATOM 243 C GLU A 19 -15.439 -4.140 -8.174 1.00 0.00 C ATOM 244 O GLU A 19 -14.579 -5.020 -8.213 1.00 0.00 O ATOM 245 CB GLU A 19 -16.887 -5.714 -6.861 1.00 0.00 C ATOM 246 CG GLU A 19 -18.034 -5.906 -5.880 1.00 0.00 C ATOM 247 CD GLU A 19 -19.295 -6.418 -6.549 1.00 0.00 C ATOM 248 OE1 GLU A 19 -19.195 -6.967 -7.668 1.00 0.00 O ATOM 249 OE2 GLU A 19 -20.383 -6.270 -5.956 1.00 0.00 O ATOM 0 H GLU A 19 -18.430 -4.322 -8.278 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.383 -3.697 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.105 -6.267 -7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.980 -6.145 -6.436 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.729 -6.607 -5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.248 -4.958 -5.387 1.00 0.00 H new ATOM 256 N GLN A 20 -15.372 -3.032 -8.906 1.00 0.00 N ATOM 257 CA GLN A 20 -14.257 -2.789 -9.822 1.00 0.00 C ATOM 258 C GLN A 20 -12.979 -2.509 -9.033 1.00 0.00 C ATOM 259 O GLN A 20 -12.166 -3.402 -8.791 1.00 0.00 O ATOM 260 CB GLN A 20 -14.553 -1.632 -10.798 1.00 0.00 C ATOM 261 CG GLN A 20 -15.944 -1.032 -10.672 1.00 0.00 C ATOM 262 CD GLN A 20 -16.307 -0.146 -11.847 1.00 0.00 C ATOM 263 OE1 GLN A 20 -15.410 0.767 -12.194 1.00 0.00 O flip ATOM 264 NE2 GLN A 20 -17.380 -0.282 -12.433 1.00 0.00 N flip ATOM 0 H GLN A 20 -16.072 -2.290 -8.885 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.119 -3.690 -10.420 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.817 -0.844 -10.639 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.419 -1.992 -11.818 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.676 -1.836 -10.588 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -16.003 -0.451 -9.752 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -18.039 -0.999 -12.130 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -17.610 0.322 -13.222 1.00 0.00 H new ATOM 273 N LYS A 21 -12.830 -1.248 -8.630 1.00 0.00 N ATOM 274 CA LYS A 21 -11.675 -0.792 -7.849 1.00 0.00 C ATOM 275 C LYS A 21 -11.822 -1.162 -6.374 1.00 0.00 C ATOM 276 O LYS A 21 -11.137 -0.600 -5.519 1.00 0.00 O ATOM 277 CB LYS A 21 -11.496 0.726 -7.979 1.00 0.00 C ATOM 278 CG LYS A 21 -12.367 1.362 -9.046 1.00 0.00 C ATOM 279 CD LYS A 21 -12.029 0.834 -10.429 1.00 0.00 C ATOM 280 CE LYS A 21 -10.696 1.372 -10.913 1.00 0.00 C ATOM 281 NZ LYS A 21 -10.829 2.088 -12.212 1.00 0.00 N ATOM 0 H LYS A 21 -13.505 -0.511 -8.834 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.794 -1.294 -8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.718 1.191 -7.019 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.451 0.940 -8.203 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.416 1.164 -8.826 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.236 2.444 -9.027 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.998 -0.255 -10.407 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.814 1.116 -11.130 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.284 2.049 -10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.989 0.549 -11.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.898 2.441 -12.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.199 1.435 -12.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.484 2.888 -12.102 1.00 0.00 H new ATOM 295 N GLN A 22 -12.711 -2.101 -6.078 1.00 0.00 N ATOM 296 CA GLN A 22 -12.946 -2.522 -4.698 1.00 0.00 C ATOM 297 C GLN A 22 -11.706 -3.150 -4.085 1.00 0.00 C ATOM 298 O GLN A 22 -11.091 -2.576 -3.184 1.00 0.00 O ATOM 299 CB GLN A 22 -14.118 -3.502 -4.627 1.00 0.00 C ATOM 300 CG GLN A 22 -15.127 -3.151 -3.547 1.00 0.00 C ATOM 301 CD GLN A 22 -15.832 -4.369 -2.981 1.00 0.00 C ATOM 302 OE1 GLN A 22 -16.138 -5.315 -3.708 1.00 0.00 O ATOM 303 NE2 GLN A 22 -16.097 -4.351 -1.680 1.00 0.00 N ATOM 0 H GLN A 22 -13.281 -2.586 -6.771 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.191 -1.629 -4.122 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.623 -3.525 -5.593 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.734 -4.505 -4.444 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -14.619 -2.623 -2.740 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.869 -2.466 -3.958 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -15.825 -3.546 -1.115 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -16.572 -5.142 -1.245 1.00 0.00 H new ATOM 312 N MET A 23 -11.338 -4.335 -4.560 1.00 0.00 N ATOM 313 CA MET A 23 -10.173 -5.022 -4.034 1.00 0.00 C ATOM 314 C MET A 23 -8.933 -4.135 -4.130 1.00 0.00 C ATOM 315 O MET A 23 -8.639 -3.392 -3.205 1.00 0.00 O ATOM 316 CB MET A 23 -9.960 -6.354 -4.766 1.00 0.00 C ATOM 317 CG MET A 23 -11.240 -7.159 -4.936 1.00 0.00 C ATOM 318 SD MET A 23 -11.097 -8.841 -4.300 1.00 0.00 S ATOM 319 CE MET A 23 -12.254 -8.788 -2.933 1.00 0.00 C ATOM 0 H MET A 23 -11.828 -4.834 -5.303 1.00 0.00 H new ATOM 0 HA MET A 23 -10.346 -5.239 -2.980 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.530 -6.156 -5.748 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.234 -6.951 -4.215 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.055 -6.649 -4.423 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.503 -7.196 -5.993 1.00 0.00 H new ATOM 0 HE1 MET A 23 -12.277 -9.759 -2.438 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.941 -8.025 -2.220 1.00 0.00 H new ATOM 0 HE3 MET A 23 -13.249 -8.548 -3.308 1.00 0.00 H new ATOM 329 N LEU A 24 -8.212 -4.214 -5.244 1.00 0.00 N ATOM 330 CA LEU A 24 -6.997 -3.410 -5.440 1.00 0.00 C ATOM 331 C LEU A 24 -7.288 -1.908 -5.445 1.00 0.00 C ATOM 332 O LEU A 24 -6.902 -1.214 -6.387 1.00 0.00 O ATOM 333 CB LEU A 24 -6.282 -3.778 -6.757 1.00 0.00 C ATOM 334 CG LEU A 24 -7.078 -4.610 -7.760 1.00 0.00 C ATOM 335 CD1 LEU A 24 -8.129 -3.754 -8.450 1.00 0.00 C ATOM 336 CD2 LEU A 24 -6.132 -5.235 -8.773 1.00 0.00 C ATOM 0 H LEU A 24 -8.443 -4.824 -6.028 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.350 -3.640 -4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.976 -2.854 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.371 -4.323 -6.509 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.597 -5.408 -7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.686 -4.364 -9.161 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.814 -3.348 -7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.641 -2.935 -8.979 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.704 -5.828 -9.487 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.595 -4.448 -9.303 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.419 -5.877 -8.257 1.00 0.00 H new ATOM 348 N GLY A 25 -7.954 -1.393 -4.408 1.00 0.00 N ATOM 349 CA GLY A 25 -8.261 0.031 -4.361 1.00 0.00 C ATOM 350 C GLY A 25 -8.440 0.635 -5.746 1.00 0.00 C ATOM 351 O GLY A 25 -8.970 -0.016 -6.648 1.00 0.00 O ATOM 0 H GLY A 25 -8.284 -1.931 -3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.171 0.184 -3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.459 0.555 -3.841 1.00 0.00 H new ATOM 355 N GLU A 26 -7.980 1.863 -5.924 1.00 0.00 N ATOM 356 CA GLU A 26 -8.070 2.524 -7.220 1.00 0.00 C ATOM 357 C GLU A 26 -7.039 1.924 -8.180 1.00 0.00 C ATOM 358 O GLU A 26 -7.344 1.022 -8.958 1.00 0.00 O ATOM 359 CB GLU A 26 -7.878 4.050 -7.102 1.00 0.00 C ATOM 360 CG GLU A 26 -7.435 4.533 -5.728 1.00 0.00 C ATOM 361 CD GLU A 26 -8.553 4.503 -4.702 1.00 0.00 C ATOM 362 OE1 GLU A 26 -8.956 3.396 -4.289 1.00 0.00 O ATOM 363 OE2 GLU A 26 -9.024 5.588 -4.307 1.00 0.00 O ATOM 0 H GLU A 26 -7.542 2.422 -5.192 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.072 2.356 -7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.140 4.367 -7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.816 4.541 -7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.611 3.911 -5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.053 5.550 -5.812 1.00 0.00 H new ATOM 370 N ARG A 27 -5.817 2.452 -8.113 1.00 0.00 N ATOM 371 CA ARG A 27 -4.717 2.000 -8.970 1.00 0.00 C ATOM 372 C ARG A 27 -3.403 1.907 -8.189 1.00 0.00 C ATOM 373 O ARG A 27 -2.325 1.798 -8.777 1.00 0.00 O ATOM 374 CB ARG A 27 -4.538 2.964 -10.150 1.00 0.00 C ATOM 375 CG ARG A 27 -4.571 2.300 -11.523 1.00 0.00 C ATOM 376 CD ARG A 27 -3.728 1.035 -11.572 1.00 0.00 C ATOM 377 NE ARG A 27 -2.365 1.288 -12.038 1.00 0.00 N ATOM 378 CZ ARG A 27 -1.682 0.460 -12.829 1.00 0.00 C ATOM 379 NH1 ARG A 27 -2.236 -0.659 -13.280 1.00 0.00 N ATOM 380 NH2 ARG A 27 -0.436 0.756 -13.177 1.00 0.00 N ATOM 0 H ARG A 27 -5.561 3.200 -7.468 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.971 1.006 -9.339 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.323 3.719 -10.107 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.587 3.485 -10.036 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.602 2.058 -11.782 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.211 3.004 -12.273 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.692 0.588 -10.579 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.205 0.310 -12.231 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.909 2.150 -11.740 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.195 -0.893 -13.022 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.703 -1.284 -13.885 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.003 1.615 -12.839 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.088 0.124 -13.782 1.00 0.00 H new ATOM 394 N LEU A 28 -3.494 1.972 -6.869 1.00 0.00 N ATOM 395 CA LEU A 28 -2.316 1.926 -6.017 1.00 0.00 C ATOM 396 C LEU A 28 -1.737 0.526 -5.875 1.00 0.00 C ATOM 397 O LEU A 28 -0.530 0.330 -6.018 1.00 0.00 O ATOM 398 CB LEU A 28 -2.673 2.464 -4.643 1.00 0.00 C ATOM 399 CG LEU A 28 -2.046 3.802 -4.301 1.00 0.00 C ATOM 400 CD1 LEU A 28 -2.891 4.506 -3.254 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.610 3.609 -3.832 1.00 0.00 C ATOM 0 H LEU A 28 -4.376 2.057 -6.363 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.551 2.541 -6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.757 2.559 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.370 1.734 -3.892 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.015 4.431 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.440 5.467 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.896 4.666 -3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.945 3.891 -2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.173 4.578 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.599 2.974 -2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.029 3.136 -4.624 1.00 0.00 H new ATOM 413 N PHE A 29 -2.596 -0.444 -5.583 1.00 0.00 N ATOM 414 CA PHE A 29 -2.159 -1.825 -5.409 1.00 0.00 C ATOM 415 C PHE A 29 -1.192 -2.233 -6.520 1.00 0.00 C ATOM 416 O PHE A 29 -0.120 -2.764 -6.246 1.00 0.00 O ATOM 417 CB PHE A 29 -3.376 -2.760 -5.376 1.00 0.00 C ATOM 418 CG PHE A 29 -3.223 -4.006 -4.533 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.287 -4.097 -3.513 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.044 -5.098 -4.768 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.181 -5.259 -2.759 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.941 -6.248 -4.020 1.00 0.00 C ATOM 423 CZ PHE A 29 -3.009 -6.330 -3.015 1.00 0.00 C ATOM 0 H PHE A 29 -3.599 -0.300 -5.462 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.630 -1.906 -4.460 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.234 -2.197 -5.007 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.608 -3.061 -6.398 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.637 -3.260 -3.304 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.781 -5.045 -5.556 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.447 -5.323 -1.969 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.592 -7.085 -4.223 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.925 -7.232 -2.427 1.00 0.00 H new ATOM 433 N PRO A 30 -1.555 -1.978 -7.787 1.00 0.00 N ATOM 434 CA PRO A 30 -0.710 -2.314 -8.941 1.00 0.00 C ATOM 435 C PRO A 30 0.638 -1.598 -8.920 1.00 0.00 C ATOM 436 O PRO A 30 1.675 -2.201 -9.205 1.00 0.00 O ATOM 437 CB PRO A 30 -1.543 -1.845 -10.142 1.00 0.00 C ATOM 438 CG PRO A 30 -2.938 -1.783 -9.626 1.00 0.00 C ATOM 439 CD PRO A 30 -2.811 -1.339 -8.203 1.00 0.00 C ATOM 0 HA PRO A 30 -0.462 -3.375 -8.959 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.209 -0.872 -10.501 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.460 -2.539 -10.978 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.541 -1.083 -10.204 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.426 -2.755 -9.693 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.762 -0.253 -8.118 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.655 -1.669 -7.597 1.00 0.00 H new ATOM 447 N LEU A 31 0.625 -0.310 -8.586 1.00 0.00 N ATOM 448 CA LEU A 31 1.862 0.471 -8.542 1.00 0.00 C ATOM 449 C LEU A 31 2.739 0.024 -7.369 1.00 0.00 C ATOM 450 O LEU A 31 3.948 -0.230 -7.509 1.00 0.00 O ATOM 451 CB LEU A 31 1.546 1.968 -8.427 1.00 0.00 C ATOM 452 CG LEU A 31 0.470 2.477 -9.392 1.00 0.00 C ATOM 453 CD1 LEU A 31 -0.089 3.818 -8.927 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.035 2.588 -10.801 1.00 0.00 C ATOM 0 H LEU A 31 -0.217 0.212 -8.344 1.00 0.00 H new ATOM 0 HA LEU A 31 2.409 0.299 -9.469 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.227 2.180 -7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.463 2.532 -8.598 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.350 1.758 -9.402 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.851 4.158 -9.629 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.532 3.704 -7.938 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.716 4.552 -8.882 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.260 2.951 -11.476 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.873 3.285 -10.803 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.377 1.608 -11.134 1.00 0.00 H new ATOM 466 N ILE A 32 2.119 -0.107 -6.215 1.00 0.00 N ATOM 467 CA ILE A 32 2.836 -0.543 -5.040 1.00 0.00 C ATOM 468 C ILE A 32 3.265 -1.988 -5.208 1.00 0.00 C ATOM 469 O ILE A 32 4.393 -2.339 -4.888 1.00 0.00 O ATOM 470 CB ILE A 32 2.008 -0.366 -3.761 1.00 0.00 C ATOM 471 CG1 ILE A 32 2.920 -0.513 -2.539 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.847 -1.351 -3.731 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.218 -1.943 -2.149 1.00 0.00 C ATOM 0 H ILE A 32 1.127 0.081 -6.068 1.00 0.00 H new ATOM 0 HA ILE A 32 3.720 0.085 -4.934 1.00 0.00 H new ATOM 0 HB ILE A 32 1.574 0.634 -3.742 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.861 -0.001 -2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.456 -0.008 -1.692 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.273 -1.209 -2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.203 -1.181 -4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.233 -2.370 -3.762 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.870 -1.954 -1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.286 -2.457 -1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.713 -2.450 -2.977 1.00 0.00 H new ATOM 485 N GLN A 33 2.375 -2.821 -5.748 1.00 0.00 N ATOM 486 CA GLN A 33 2.702 -4.220 -5.992 1.00 0.00 C ATOM 487 C GLN A 33 4.102 -4.318 -6.601 1.00 0.00 C ATOM 488 O GLN A 33 4.900 -5.178 -6.228 1.00 0.00 O ATOM 489 CB GLN A 33 1.684 -4.872 -6.935 1.00 0.00 C ATOM 490 CG GLN A 33 1.654 -6.391 -6.847 1.00 0.00 C ATOM 491 CD GLN A 33 0.241 -6.941 -6.830 1.00 0.00 C ATOM 492 OE1 GLN A 33 -0.322 -7.269 -7.874 1.00 0.00 O ATOM 493 NE2 GLN A 33 -0.343 -7.042 -5.641 1.00 0.00 N ATOM 0 H GLN A 33 1.430 -2.551 -6.022 1.00 0.00 H new ATOM 0 HA GLN A 33 2.672 -4.750 -5.040 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.691 -4.484 -6.708 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.913 -4.581 -7.960 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.195 -6.812 -7.695 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.176 -6.710 -5.945 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.160 -6.759 -4.800 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.294 -7.403 -5.569 1.00 0.00 H new ATOM 502 N ALA A 34 4.379 -3.418 -7.551 1.00 0.00 N ATOM 503 CA ALA A 34 5.672 -3.377 -8.230 1.00 0.00 C ATOM 504 C ALA A 34 6.815 -3.213 -7.247 1.00 0.00 C ATOM 505 O ALA A 34 7.905 -3.752 -7.444 1.00 0.00 O ATOM 506 CB ALA A 34 5.698 -2.259 -9.260 1.00 0.00 C ATOM 0 H ALA A 34 3.719 -2.707 -7.866 1.00 0.00 H new ATOM 0 HA ALA A 34 5.806 -4.331 -8.740 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.669 -2.244 -9.756 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.915 -2.427 -10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.529 -1.303 -8.764 1.00 0.00 H new ATOM 512 N MET A 35 6.559 -2.461 -6.195 1.00 0.00 N ATOM 513 CA MET A 35 7.582 -2.216 -5.170 1.00 0.00 C ATOM 514 C MET A 35 7.396 -3.145 -3.970 1.00 0.00 C ATOM 515 O MET A 35 8.330 -3.832 -3.555 1.00 0.00 O ATOM 516 CB MET A 35 7.534 -0.761 -4.702 1.00 0.00 C ATOM 517 CG MET A 35 7.454 0.243 -5.838 1.00 0.00 C ATOM 518 SD MET A 35 9.028 1.065 -6.151 1.00 0.00 S ATOM 519 CE MET A 35 9.098 2.201 -4.767 1.00 0.00 C ATOM 0 H MET A 35 5.663 -2.008 -6.018 1.00 0.00 H new ATOM 0 HA MET A 35 8.554 -2.419 -5.620 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.672 -0.627 -4.049 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.422 -0.551 -4.105 1.00 0.00 H new ATOM 0 HG2 MET A 35 7.128 -0.266 -6.745 1.00 0.00 H new ATOM 0 HG3 MET A 35 6.698 0.992 -5.603 1.00 0.00 H new ATOM 0 HE1 MET A 35 9.962 2.856 -4.877 1.00 0.00 H new ATOM 0 HE2 MET A 35 8.189 2.801 -4.743 1.00 0.00 H new ATOM 0 HE3 MET A 35 9.186 1.638 -3.838 1.00 0.00 H new ATOM 529 N HIS A 36 6.185 -3.181 -3.437 1.00 0.00 N ATOM 530 CA HIS A 36 5.859 -4.048 -2.304 1.00 0.00 C ATOM 531 C HIS A 36 6.752 -3.798 -1.091 1.00 0.00 C ATOM 532 O HIS A 36 7.262 -4.742 -0.486 1.00 0.00 O ATOM 533 CB HIS A 36 5.957 -5.519 -2.715 1.00 0.00 C ATOM 534 CG HIS A 36 4.632 -6.116 -3.057 1.00 0.00 C ATOM 535 ND1 HIS A 36 4.455 -7.437 -3.413 1.00 0.00 N ATOM 536 CD2 HIS A 36 3.408 -5.554 -3.089 1.00 0.00 C ATOM 537 CE1 HIS A 36 3.172 -7.659 -3.650 1.00 0.00 C ATOM 538 NE2 HIS A 36 2.518 -6.530 -3.459 1.00 0.00 N ATOM 0 H HIS A 36 5.403 -2.617 -3.770 1.00 0.00 H new ATOM 0 HA HIS A 36 4.837 -3.808 -2.013 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.622 -5.608 -3.574 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.408 -6.089 -1.902 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.197 -8.134 -3.483 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.171 -4.524 -2.865 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.736 -8.601 -3.948 1.00 0.00 H new ATOM 546 N PRO A 37 6.942 -2.534 -0.693 1.00 0.00 N ATOM 547 CA PRO A 37 7.760 -2.216 0.472 1.00 0.00 C ATOM 548 C PRO A 37 7.169 -2.825 1.741 1.00 0.00 C ATOM 549 O PRO A 37 7.715 -3.780 2.295 1.00 0.00 O ATOM 550 CB PRO A 37 7.735 -0.684 0.537 1.00 0.00 C ATOM 551 CG PRO A 37 6.555 -0.273 -0.275 1.00 0.00 C ATOM 552 CD PRO A 37 6.370 -1.335 -1.318 1.00 0.00 C ATOM 0 HA PRO A 37 8.771 -2.616 0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.644 -0.336 1.566 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.655 -0.259 0.136 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.666 -0.182 0.349 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.721 0.700 -0.737 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.318 -1.475 -1.566 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.885 -1.081 -2.245 1.00 0.00 H new ATOM 560 N THR A 38 6.071 -2.246 2.216 1.00 0.00 N ATOM 561 CA THR A 38 5.428 -2.714 3.440 1.00 0.00 C ATOM 562 C THR A 38 4.271 -3.675 3.157 1.00 0.00 C ATOM 563 O THR A 38 4.284 -4.816 3.618 1.00 0.00 O ATOM 564 CB THR A 38 4.944 -1.523 4.283 1.00 0.00 C ATOM 565 OG1 THR A 38 4.233 -1.974 5.423 1.00 0.00 O ATOM 566 CG2 THR A 38 4.042 -0.560 3.536 1.00 0.00 C ATOM 0 H THR A 38 5.608 -1.453 1.773 1.00 0.00 H new ATOM 0 HA THR A 38 6.177 -3.269 4.005 1.00 0.00 H new ATOM 0 HB THR A 38 5.854 -0.990 4.558 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.934 -1.203 5.948 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.745 0.251 4.201 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.578 -0.149 2.680 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.154 -1.088 3.189 1.00 0.00 H new ATOM 574 N LEU A 39 3.273 -3.219 2.405 1.00 0.00 N ATOM 575 CA LEU A 39 2.122 -4.055 2.080 1.00 0.00 C ATOM 576 C LEU A 39 1.243 -3.387 1.029 1.00 0.00 C ATOM 577 O LEU A 39 0.553 -2.411 1.316 1.00 0.00 O ATOM 578 CB LEU A 39 1.298 -4.339 3.340 1.00 0.00 C ATOM 579 CG LEU A 39 0.689 -5.744 3.415 1.00 0.00 C ATOM 580 CD1 LEU A 39 1.549 -6.656 4.281 1.00 0.00 C ATOM 581 CD2 LEU A 39 -0.737 -5.687 3.951 1.00 0.00 C ATOM 0 H LEU A 39 3.238 -2.279 2.011 1.00 0.00 H new ATOM 0 HA LEU A 39 2.493 -4.996 1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.933 -4.188 4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.493 -3.607 3.402 1.00 0.00 H new ATOM 0 HG LEU A 39 0.659 -6.155 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.100 -7.648 4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.549 -6.727 3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.614 -6.246 5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.149 -6.695 3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.733 -5.252 4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.350 -5.073 3.291 1.00 0.00 H new ATOM 593 N ALA A 40 1.264 -3.929 -0.186 1.00 0.00 N ATOM 594 CA ALA A 40 0.470 -3.403 -1.295 1.00 0.00 C ATOM 595 C ALA A 40 -0.992 -3.173 -0.907 1.00 0.00 C ATOM 596 O ALA A 40 -1.560 -2.128 -1.221 1.00 0.00 O ATOM 597 CB ALA A 40 0.611 -4.323 -2.503 1.00 0.00 C ATOM 0 H ALA A 40 1.829 -4.742 -0.430 1.00 0.00 H new ATOM 0 HA ALA A 40 0.857 -2.419 -1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.019 -3.931 -3.330 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.659 -4.376 -2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.256 -5.321 -2.244 1.00 0.00 H new ATOM 603 N GLY A 41 -1.612 -4.144 -0.253 1.00 0.00 N ATOM 604 CA GLY A 41 -3.006 -3.991 0.126 1.00 0.00 C ATOM 605 C GLY A 41 -3.254 -2.769 0.997 1.00 0.00 C ATOM 606 O GLY A 41 -3.934 -1.828 0.585 1.00 0.00 O ATOM 0 H GLY A 41 -1.182 -5.028 0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.616 -3.918 -0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.332 -4.883 0.660 1.00 0.00 H new ATOM 610 N LYS A 42 -2.721 -2.798 2.211 1.00 0.00 N ATOM 611 CA LYS A 42 -2.904 -1.703 3.166 1.00 0.00 C ATOM 612 C LYS A 42 -2.234 -0.405 2.710 1.00 0.00 C ATOM 613 O LYS A 42 -2.786 0.682 2.892 1.00 0.00 O ATOM 614 CB LYS A 42 -2.354 -2.103 4.533 1.00 0.00 C ATOM 615 CG LYS A 42 -3.192 -3.158 5.237 1.00 0.00 C ATOM 616 CD LYS A 42 -3.019 -3.098 6.749 1.00 0.00 C ATOM 617 CE LYS A 42 -3.465 -1.759 7.318 1.00 0.00 C ATOM 618 NZ LYS A 42 -4.894 -1.466 7.014 1.00 0.00 N ATOM 0 H LYS A 42 -2.155 -3.570 2.563 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.976 -1.515 3.230 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.338 -2.478 4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.293 -1.217 5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.243 -3.016 4.985 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.909 -4.147 4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.595 -3.899 7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.973 -3.270 7.002 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.317 -1.758 8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.838 -0.966 6.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.192 -0.615 7.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.006 -1.307 5.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.483 -2.272 7.305 1.00 0.00 H new ATOM 632 N ILE A 43 -1.051 -0.514 2.116 1.00 0.00 N ATOM 633 CA ILE A 43 -0.323 0.664 1.650 1.00 0.00 C ATOM 634 C ILE A 43 -1.182 1.523 0.733 1.00 0.00 C ATOM 635 O ILE A 43 -1.135 2.753 0.783 1.00 0.00 O ATOM 636 CB ILE A 43 0.968 0.269 0.910 1.00 0.00 C ATOM 637 CG1 ILE A 43 1.847 1.487 0.650 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.639 -0.422 -0.395 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.322 1.186 0.772 1.00 0.00 C ATOM 0 H ILE A 43 -0.576 -1.401 1.946 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.063 1.242 2.537 1.00 0.00 H new ATOM 0 HB ILE A 43 1.521 -0.421 1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.641 1.870 -0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.583 2.276 1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.563 -0.694 -0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.057 -1.321 -0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.060 0.251 -1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.896 2.092 0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.539 0.830 1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.598 0.418 0.049 1.00 0.00 H new ATOM 651 N THR A 44 -1.963 0.862 -0.107 1.00 0.00 N ATOM 652 CA THR A 44 -2.835 1.549 -1.046 1.00 0.00 C ATOM 653 C THR A 44 -3.858 2.412 -0.314 1.00 0.00 C ATOM 654 O THR A 44 -4.106 3.553 -0.699 1.00 0.00 O ATOM 655 CB THR A 44 -3.551 0.529 -1.939 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.636 -0.106 -2.814 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.659 1.125 -2.783 1.00 0.00 C ATOM 0 H THR A 44 -2.010 -0.156 -0.157 1.00 0.00 H new ATOM 0 HA THR A 44 -2.221 2.202 -1.666 1.00 0.00 H new ATOM 0 HB THR A 44 -3.997 -0.185 -1.246 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.194 -0.844 -2.345 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.118 0.342 -3.387 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.412 1.570 -2.133 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.245 1.892 -3.437 1.00 0.00 H new ATOM 665 N GLY A 45 -4.443 1.873 0.750 1.00 0.00 N ATOM 666 CA GLY A 45 -5.425 2.626 1.508 1.00 0.00 C ATOM 667 C GLY A 45 -4.865 3.939 2.007 1.00 0.00 C ATOM 668 O GLY A 45 -5.600 4.907 2.201 1.00 0.00 O ATOM 0 H GLY A 45 -4.256 0.933 1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.297 2.817 0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.764 2.030 2.355 1.00 0.00 H new ATOM 672 N MET A 46 -3.555 3.967 2.213 1.00 0.00 N ATOM 673 CA MET A 46 -2.885 5.165 2.695 1.00 0.00 C ATOM 674 C MET A 46 -2.745 6.202 1.584 1.00 0.00 C ATOM 675 O MET A 46 -3.270 7.307 1.693 1.00 0.00 O ATOM 676 CB MET A 46 -1.517 4.809 3.268 1.00 0.00 C ATOM 677 CG MET A 46 -1.583 4.309 4.701 1.00 0.00 C ATOM 678 SD MET A 46 -2.469 2.750 4.857 1.00 0.00 S ATOM 679 CE MET A 46 -1.252 1.750 5.709 1.00 0.00 C ATOM 0 H MET A 46 -2.936 3.172 2.053 1.00 0.00 H new ATOM 0 HA MET A 46 -3.496 5.601 3.485 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.056 4.044 2.643 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.872 5.687 3.225 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.570 4.186 5.085 1.00 0.00 H new ATOM 0 HG3 MET A 46 -2.070 5.062 5.321 1.00 0.00 H new ATOM 0 HE1 MET A 46 -0.961 0.913 5.075 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.375 2.357 5.934 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.678 1.371 6.638 1.00 0.00 H new ATOM 689 N LEU A 47 -2.023 5.856 0.523 1.00 0.00 N ATOM 690 CA LEU A 47 -1.821 6.792 -0.574 1.00 0.00 C ATOM 691 C LEU A 47 -3.158 7.232 -1.144 1.00 0.00 C ATOM 692 O LEU A 47 -3.240 8.264 -1.811 1.00 0.00 O ATOM 693 CB LEU A 47 -0.964 6.163 -1.673 1.00 0.00 C ATOM 694 CG LEU A 47 0.497 5.864 -1.327 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.431 6.820 -2.059 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.739 5.910 0.170 1.00 0.00 C ATOM 0 H LEU A 47 -1.575 4.948 0.401 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.297 7.665 -0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.437 5.230 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.979 6.828 -2.537 1.00 0.00 H new ATOM 0 HG LEU A 47 0.713 4.849 -1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.464 6.590 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.295 6.710 -3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.203 7.845 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.787 5.693 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.493 6.902 0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.111 5.168 0.663 1.00 0.00 H new ATOM 708 N LEU A 48 -4.208 6.448 -0.897 1.00 0.00 N ATOM 709 CA LEU A 48 -5.545 6.763 -1.399 1.00 0.00 C ATOM 710 C LEU A 48 -6.056 8.113 -0.876 1.00 0.00 C ATOM 711 O LEU A 48 -7.259 8.374 -0.887 1.00 0.00 O ATOM 712 CB LEU A 48 -6.518 5.647 -1.003 1.00 0.00 C ATOM 713 CG LEU A 48 -7.209 4.947 -2.173 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.252 3.992 -2.866 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.455 4.203 -1.705 1.00 0.00 C ATOM 0 H LEU A 48 -4.157 5.588 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.483 6.837 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.975 4.901 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.282 6.067 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.516 5.711 -2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.763 3.504 -3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.394 4.548 -3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.912 3.239 -2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.928 3.714 -2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.175 3.453 -0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.154 4.910 -1.258 1.00 0.00 H new ATOM 727 N GLU A 49 -5.141 8.965 -0.431 1.00 0.00 N ATOM 728 CA GLU A 49 -5.487 10.280 0.082 1.00 0.00 C ATOM 729 C GLU A 49 -5.859 11.226 -1.060 1.00 0.00 C ATOM 730 O GLU A 49 -6.343 12.334 -0.824 1.00 0.00 O ATOM 731 CB GLU A 49 -4.299 10.848 0.862 1.00 0.00 C ATOM 732 CG GLU A 49 -4.691 11.735 2.030 1.00 0.00 C ATOM 733 CD GLU A 49 -4.119 13.135 1.914 1.00 0.00 C ATOM 734 OE1 GLU A 49 -4.389 13.805 0.894 1.00 0.00 O ATOM 735 OE2 GLU A 49 -3.398 13.561 2.840 1.00 0.00 O ATOM 0 H GLU A 49 -4.141 8.763 -0.416 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.349 10.185 0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.694 10.021 1.235 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.671 11.421 0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.778 11.794 2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.346 11.281 2.959 1.00 0.00 H new ATOM 742 N ILE A 50 -5.620 10.789 -2.298 1.00 0.00 N ATOM 743 CA ILE A 50 -5.924 11.602 -3.468 1.00 0.00 C ATOM 744 C ILE A 50 -7.122 11.046 -4.251 1.00 0.00 C ATOM 745 O ILE A 50 -7.643 9.977 -3.934 1.00 0.00 O ATOM 746 CB ILE A 50 -4.688 11.727 -4.385 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.701 13.081 -5.097 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.619 10.583 -5.390 1.00 0.00 C ATOM 749 CD1 ILE A 50 -3.423 13.868 -4.919 1.00 0.00 C ATOM 0 H ILE A 50 -5.217 9.877 -2.512 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.195 12.596 -3.112 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.794 11.664 -3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.875 12.921 -6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.537 13.672 -4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.737 10.704 -6.019 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.558 9.634 -4.857 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.513 10.592 -6.014 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.503 14.816 -5.450 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.258 14.059 -3.859 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.585 13.297 -5.320 1.00 0.00 H new ATOM 761 N ASP A 51 -7.528 11.771 -5.295 1.00 0.00 N ATOM 762 CA ASP A 51 -8.631 11.361 -6.161 1.00 0.00 C ATOM 763 C ASP A 51 -8.223 10.221 -7.100 1.00 0.00 C ATOM 764 O ASP A 51 -7.083 10.178 -7.566 1.00 0.00 O ATOM 765 CB ASP A 51 -9.132 12.556 -6.975 1.00 0.00 C ATOM 766 CG ASP A 51 -9.318 13.798 -6.123 1.00 0.00 C ATOM 767 OD1 ASP A 51 -10.401 13.949 -5.524 1.00 0.00 O ATOM 768 OD2 ASP A 51 -8.376 14.617 -6.055 1.00 0.00 O ATOM 0 H ASP A 51 -7.101 12.658 -5.562 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.434 10.993 -5.522 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.423 12.770 -7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.079 12.298 -7.449 1.00 0.00 H new ATOM 773 N ASN A 52 -9.159 9.316 -7.404 1.00 0.00 N ATOM 774 CA ASN A 52 -8.871 8.205 -8.320 1.00 0.00 C ATOM 775 C ASN A 52 -8.208 8.720 -9.603 1.00 0.00 C ATOM 776 O ASN A 52 -7.499 7.983 -10.287 1.00 0.00 O ATOM 777 CB ASN A 52 -10.158 7.444 -8.685 1.00 0.00 C ATOM 778 CG ASN A 52 -9.880 6.170 -9.476 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.859 5.266 -9.533 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -8.800 6.001 -10.038 1.00 0.00 N flip ATOM 0 H ASN A 52 -10.110 9.328 -7.036 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.189 7.525 -7.809 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.697 7.191 -7.772 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.808 8.096 -9.269 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.074 6.714 -9.973 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.630 5.147 -10.570 1.00 0.00 H new ATOM 787 N SER A 53 -8.455 9.989 -9.927 1.00 0.00 N ATOM 788 CA SER A 53 -7.897 10.597 -11.133 1.00 0.00 C ATOM 789 C SER A 53 -6.389 10.797 -11.024 1.00 0.00 C ATOM 790 O SER A 53 -5.678 10.770 -12.030 1.00 0.00 O ATOM 791 CB SER A 53 -8.576 11.939 -11.411 1.00 0.00 C ATOM 792 OG SER A 53 -8.172 12.921 -10.472 1.00 0.00 O ATOM 0 H SER A 53 -9.038 10.615 -9.371 1.00 0.00 H new ATOM 0 HA SER A 53 -8.085 9.912 -11.960 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.330 12.273 -12.419 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.658 11.817 -11.371 1.00 0.00 H new ATOM 0 HG SER A 53 -8.619 13.770 -10.673 1.00 0.00 H new ATOM 798 N GLU A 54 -5.901 11.008 -9.808 1.00 0.00 N ATOM 799 CA GLU A 54 -4.475 11.220 -9.590 1.00 0.00 C ATOM 800 C GLU A 54 -3.702 9.909 -9.680 1.00 0.00 C ATOM 801 O GLU A 54 -2.624 9.856 -10.269 1.00 0.00 O ATOM 802 CB GLU A 54 -4.237 11.881 -8.234 1.00 0.00 C ATOM 803 CG GLU A 54 -3.719 13.307 -8.338 1.00 0.00 C ATOM 804 CD GLU A 54 -2.207 13.373 -8.353 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.591 13.064 -7.312 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.638 13.735 -9.403 1.00 0.00 O ATOM 0 H GLU A 54 -6.468 11.037 -8.961 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.111 11.882 -10.376 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.170 11.882 -7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.523 11.284 -7.668 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.109 13.767 -9.246 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.097 13.890 -7.498 1.00 0.00 H new ATOM 813 N LEU A 55 -4.257 8.854 -9.097 1.00 0.00 N ATOM 814 CA LEU A 55 -3.614 7.548 -9.122 1.00 0.00 C ATOM 815 C LEU A 55 -3.429 7.075 -10.558 1.00 0.00 C ATOM 816 O LEU A 55 -2.465 6.379 -10.877 1.00 0.00 O ATOM 817 CB LEU A 55 -4.441 6.535 -8.332 1.00 0.00 C ATOM 818 CG LEU A 55 -4.426 6.740 -6.816 1.00 0.00 C ATOM 819 CD1 LEU A 55 -5.610 7.586 -6.375 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.427 5.401 -6.095 1.00 0.00 C ATOM 0 H LEU A 55 -5.149 8.878 -8.602 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.632 7.635 -8.656 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.473 6.578 -8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.072 5.534 -8.553 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.511 7.271 -6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.579 7.719 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.563 8.560 -6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.538 7.086 -6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.416 5.568 -5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.322 4.842 -6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.543 4.832 -6.383 1.00 0.00 H new ATOM 832 N LEU A 56 -4.355 7.474 -11.424 1.00 0.00 N ATOM 833 CA LEU A 56 -4.295 7.108 -12.832 1.00 0.00 C ATOM 834 C LEU A 56 -3.105 7.783 -13.506 1.00 0.00 C ATOM 835 O LEU A 56 -2.397 7.167 -14.301 1.00 0.00 O ATOM 836 CB LEU A 56 -5.595 7.503 -13.539 1.00 0.00 C ATOM 837 CG LEU A 56 -6.563 6.351 -13.809 1.00 0.00 C ATOM 838 CD1 LEU A 56 -7.228 5.898 -12.517 1.00 0.00 C ATOM 839 CD2 LEU A 56 -7.608 6.766 -14.834 1.00 0.00 C ATOM 0 H LEU A 56 -5.157 8.052 -11.173 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.170 6.028 -12.904 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.106 8.252 -12.934 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.345 7.977 -14.488 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.998 5.512 -14.214 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.914 5.077 -12.729 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.466 5.562 -11.814 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.782 6.730 -12.082 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.290 5.935 -15.015 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.170 7.620 -14.456 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.114 7.041 -15.766 1.00 0.00 H new ATOM 851 N HIS A 57 -2.891 9.054 -13.173 1.00 0.00 N ATOM 852 CA HIS A 57 -1.786 9.823 -13.738 1.00 0.00 C ATOM 853 C HIS A 57 -0.458 9.125 -13.469 1.00 0.00 C ATOM 854 O HIS A 57 0.414 9.068 -14.335 1.00 0.00 O ATOM 855 CB HIS A 57 -1.761 11.231 -13.139 1.00 0.00 C ATOM 856 CG HIS A 57 -2.395 12.272 -14.009 1.00 0.00 C ATOM 857 ND1 HIS A 57 -2.241 12.310 -15.378 1.00 0.00 N ATOM 858 CD2 HIS A 57 -3.187 13.326 -13.694 1.00 0.00 C ATOM 859 CE1 HIS A 57 -2.905 13.341 -15.869 1.00 0.00 C ATOM 860 NE2 HIS A 57 -3.489 13.973 -14.868 1.00 0.00 N ATOM 0 H HIS A 57 -3.470 9.574 -12.513 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.934 9.896 -14.816 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.273 11.215 -12.177 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.726 11.514 -12.945 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.519 13.605 -12.705 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.961 13.619 -16.911 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.070 14.807 -14.952 1.00 0.00 H new ATOM 868 N MET A 58 -0.319 8.588 -12.264 1.00 0.00 N ATOM 869 CA MET A 58 0.895 7.884 -11.875 1.00 0.00 C ATOM 870 C MET A 58 1.166 6.724 -12.826 1.00 0.00 C ATOM 871 O MET A 58 2.285 6.543 -13.305 1.00 0.00 O ATOM 872 CB MET A 58 0.762 7.365 -10.444 1.00 0.00 C ATOM 873 CG MET A 58 0.354 8.434 -9.439 1.00 0.00 C ATOM 874 SD MET A 58 1.337 9.942 -9.574 1.00 0.00 S ATOM 875 CE MET A 58 0.136 11.066 -10.285 1.00 0.00 C ATOM 0 H MET A 58 -1.034 8.627 -11.538 1.00 0.00 H new ATOM 0 HA MET A 58 1.732 8.580 -11.926 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.025 6.562 -10.426 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.713 6.932 -10.134 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.698 8.679 -9.584 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.451 8.033 -8.430 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.652 11.826 -10.872 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.546 10.510 -10.929 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.430 11.546 -9.487 1.00 0.00 H new ATOM 885 N LEU A 59 0.130 5.940 -13.092 1.00 0.00 N ATOM 886 CA LEU A 59 0.249 4.793 -13.979 1.00 0.00 C ATOM 887 C LEU A 59 0.674 5.232 -15.383 1.00 0.00 C ATOM 888 O LEU A 59 1.212 4.437 -16.153 1.00 0.00 O ATOM 889 CB LEU A 59 -1.081 4.024 -14.026 1.00 0.00 C ATOM 890 CG LEU A 59 -1.463 3.434 -15.386 1.00 0.00 C ATOM 891 CD1 LEU A 59 -2.352 2.213 -15.215 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.155 4.483 -16.240 1.00 0.00 C ATOM 0 H LEU A 59 -0.803 6.079 -12.705 1.00 0.00 H new ATOM 0 HA LEU A 59 1.021 4.130 -13.589 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.036 3.213 -13.299 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.878 4.695 -13.706 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.550 3.120 -15.892 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.611 1.811 -16.195 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.821 1.454 -14.640 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.263 2.497 -14.688 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.421 4.050 -17.204 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.058 4.826 -15.735 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.483 5.327 -16.395 1.00 0.00 H new ATOM 904 N GLU A 60 0.446 6.505 -15.705 1.00 0.00 N ATOM 905 CA GLU A 60 0.822 7.039 -17.012 1.00 0.00 C ATOM 906 C GLU A 60 2.176 7.742 -16.945 1.00 0.00 C ATOM 907 O GLU A 60 2.803 7.992 -17.974 1.00 0.00 O ATOM 908 CB GLU A 60 -0.237 8.019 -17.527 1.00 0.00 C ATOM 909 CG GLU A 60 -1.665 7.528 -17.358 1.00 0.00 C ATOM 910 CD GLU A 60 -2.655 8.289 -18.219 1.00 0.00 C ATOM 911 OE1 GLU A 60 -2.272 9.335 -18.784 1.00 0.00 O ATOM 912 OE2 GLU A 60 -3.815 7.837 -18.329 1.00 0.00 O ATOM 0 H GLU A 60 0.005 7.182 -15.082 1.00 0.00 H new ATOM 0 HA GLU A 60 0.893 6.198 -17.702 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.125 8.968 -17.003 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.053 8.215 -18.583 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.712 6.468 -17.609 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.955 7.621 -16.311 1.00 0.00 H new ATOM 919 N SER A 61 2.621 8.068 -15.733 1.00 0.00 N ATOM 920 CA SER A 61 3.898 8.747 -15.549 1.00 0.00 C ATOM 921 C SER A 61 4.681 8.148 -14.381 1.00 0.00 C ATOM 922 O SER A 61 4.481 8.529 -13.228 1.00 0.00 O ATOM 923 CB SER A 61 3.669 10.240 -15.306 1.00 0.00 C ATOM 924 OG SER A 61 2.474 10.683 -15.928 1.00 0.00 O ATOM 0 H SER A 61 2.117 7.873 -14.868 1.00 0.00 H new ATOM 0 HA SER A 61 4.484 8.612 -16.458 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.618 10.433 -14.234 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.515 10.808 -15.692 1.00 0.00 H new ATOM 0 HG SER A 61 1.701 10.340 -15.433 1.00 0.00 H new ATOM 930 N PRO A 62 5.589 7.196 -14.664 1.00 0.00 N ATOM 931 CA PRO A 62 6.403 6.545 -13.630 1.00 0.00 C ATOM 932 C PRO A 62 7.102 7.551 -12.720 1.00 0.00 C ATOM 933 O PRO A 62 7.271 7.312 -11.524 1.00 0.00 O ATOM 934 CB PRO A 62 7.435 5.755 -14.438 1.00 0.00 C ATOM 935 CG PRO A 62 6.773 5.490 -15.745 1.00 0.00 C ATOM 936 CD PRO A 62 5.893 6.679 -16.014 1.00 0.00 C ATOM 0 HA PRO A 62 5.797 5.931 -12.964 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.355 6.325 -14.569 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.704 4.826 -13.935 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.511 5.364 -16.537 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.187 4.572 -15.706 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.402 7.425 -16.624 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.987 6.395 -16.548 1.00 0.00 H new ATOM 944 N GLU A 63 7.518 8.671 -13.300 1.00 0.00 N ATOM 945 CA GLU A 63 8.212 9.719 -12.557 1.00 0.00 C ATOM 946 C GLU A 63 7.388 10.204 -11.367 1.00 0.00 C ATOM 947 O GLU A 63 7.858 10.198 -10.228 1.00 0.00 O ATOM 948 CB GLU A 63 8.536 10.898 -13.481 1.00 0.00 C ATOM 949 CG GLU A 63 7.391 11.293 -14.405 1.00 0.00 C ATOM 950 CD GLU A 63 7.828 11.429 -15.850 1.00 0.00 C ATOM 951 OE1 GLU A 63 8.498 10.505 -16.358 1.00 0.00 O ATOM 952 OE2 GLU A 63 7.498 12.459 -16.476 1.00 0.00 O ATOM 0 H GLU A 63 7.386 8.878 -14.290 1.00 0.00 H new ATOM 0 HA GLU A 63 9.139 9.293 -12.174 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.811 11.759 -12.872 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.406 10.644 -14.086 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.600 10.546 -14.337 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.966 12.238 -14.067 1.00 0.00 H new ATOM 959 N SER A 64 6.157 10.617 -11.635 1.00 0.00 N ATOM 960 CA SER A 64 5.265 11.103 -10.590 1.00 0.00 C ATOM 961 C SER A 64 4.738 9.939 -9.770 1.00 0.00 C ATOM 962 O SER A 64 4.450 10.078 -8.581 1.00 0.00 O ATOM 963 CB SER A 64 4.101 11.890 -11.202 1.00 0.00 C ATOM 964 OG SER A 64 4.523 13.162 -11.664 1.00 0.00 O ATOM 0 H SER A 64 5.752 10.625 -12.571 1.00 0.00 H new ATOM 0 HA SER A 64 5.827 11.769 -9.935 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.673 11.324 -12.029 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.313 12.014 -10.459 1.00 0.00 H new ATOM 0 HG SER A 64 3.759 13.640 -12.050 1.00 0.00 H new ATOM 970 N LEU A 65 4.602 8.791 -10.420 1.00 0.00 N ATOM 971 CA LEU A 65 4.092 7.601 -9.763 1.00 0.00 C ATOM 972 C LEU A 65 4.939 7.263 -8.547 1.00 0.00 C ATOM 973 O LEU A 65 4.431 7.208 -7.428 1.00 0.00 O ATOM 974 CB LEU A 65 4.076 6.424 -10.746 1.00 0.00 C ATOM 975 CG LEU A 65 3.960 5.025 -10.125 1.00 0.00 C ATOM 976 CD1 LEU A 65 5.313 4.542 -9.620 1.00 0.00 C ATOM 977 CD2 LEU A 65 2.933 5.011 -9.002 1.00 0.00 C ATOM 0 H LEU A 65 4.839 8.661 -11.404 1.00 0.00 H new ATOM 0 HA LEU A 65 3.072 7.794 -9.430 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.242 6.564 -11.434 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.989 6.461 -11.340 1.00 0.00 H new ATOM 0 HG LEU A 65 3.622 4.341 -10.903 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.205 3.549 -9.184 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.017 4.499 -10.451 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.686 5.232 -8.863 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.870 4.008 -8.579 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.233 5.714 -8.225 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.959 5.300 -9.396 1.00 0.00 H new ATOM 989 N ARG A 66 6.226 7.039 -8.764 1.00 0.00 N ATOM 990 CA ARG A 66 7.117 6.707 -7.664 1.00 0.00 C ATOM 991 C ARG A 66 7.147 7.831 -6.635 1.00 0.00 C ATOM 992 O ARG A 66 7.347 7.591 -5.448 1.00 0.00 O ATOM 993 CB ARG A 66 8.525 6.425 -8.185 1.00 0.00 C ATOM 994 CG ARG A 66 8.782 4.951 -8.459 1.00 0.00 C ATOM 995 CD ARG A 66 9.128 4.703 -9.919 1.00 0.00 C ATOM 996 NE ARG A 66 10.216 5.562 -10.378 1.00 0.00 N ATOM 997 CZ ARG A 66 11.474 5.456 -9.954 1.00 0.00 C ATOM 998 NH1 ARG A 66 11.811 4.515 -9.078 1.00 0.00 N ATOM 999 NH2 ARG A 66 12.399 6.287 -10.411 1.00 0.00 N ATOM 0 H ARG A 66 6.672 7.080 -9.680 1.00 0.00 H new ATOM 0 HA ARG A 66 6.739 5.808 -7.178 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.685 6.991 -9.103 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.253 6.784 -7.457 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.598 4.600 -7.827 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.899 4.371 -8.191 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.410 3.659 -10.052 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.245 4.876 -10.535 1.00 0.00 H new ATOM 0 HE ARG A 66 10.000 6.286 -11.064 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.104 3.869 -8.727 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.776 4.439 -8.757 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.148 7.008 -11.087 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.363 6.206 -10.086 1.00 0.00 H new ATOM 1013 N SER A 67 6.937 9.060 -7.099 1.00 0.00 N ATOM 1014 CA SER A 67 6.938 10.225 -6.220 1.00 0.00 C ATOM 1015 C SER A 67 5.984 10.041 -5.040 1.00 0.00 C ATOM 1016 O SER A 67 6.345 10.310 -3.894 1.00 0.00 O ATOM 1017 CB SER A 67 6.547 11.474 -7.008 1.00 0.00 C ATOM 1018 OG SER A 67 7.250 12.613 -6.543 1.00 0.00 O ATOM 0 H SER A 67 6.764 9.275 -8.081 1.00 0.00 H new ATOM 0 HA SER A 67 7.947 10.341 -5.824 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.757 11.320 -8.066 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.474 11.643 -6.918 1.00 0.00 H new ATOM 0 HG SER A 67 6.983 13.398 -7.065 1.00 0.00 H new ATOM 1024 N LYS A 68 4.767 9.588 -5.326 1.00 0.00 N ATOM 1025 CA LYS A 68 3.767 9.382 -4.280 1.00 0.00 C ATOM 1026 C LYS A 68 4.058 8.117 -3.481 1.00 0.00 C ATOM 1027 O LYS A 68 4.070 8.137 -2.251 1.00 0.00 O ATOM 1028 CB LYS A 68 2.358 9.297 -4.879 1.00 0.00 C ATOM 1029 CG LYS A 68 2.159 10.156 -6.120 1.00 0.00 C ATOM 1030 CD LYS A 68 2.484 11.615 -5.849 1.00 0.00 C ATOM 1031 CE LYS A 68 1.223 12.454 -5.723 1.00 0.00 C ATOM 1032 NZ LYS A 68 0.922 13.196 -6.978 1.00 0.00 N ATOM 0 H LYS A 68 4.449 9.357 -6.267 1.00 0.00 H new ATOM 0 HA LYS A 68 3.817 10.240 -3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.144 8.258 -5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.634 9.598 -4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.793 9.785 -6.925 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.127 10.070 -6.461 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.068 11.694 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.103 12.007 -6.656 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.381 11.809 -5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.338 13.161 -4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.917 14.218 -6.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.649 12.982 -7.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.010 12.907 -7.337 1.00 0.00 H new ATOM 1046 N VAL A 69 4.292 7.018 -4.188 1.00 0.00 N ATOM 1047 CA VAL A 69 4.583 5.742 -3.545 1.00 0.00 C ATOM 1048 C VAL A 69 5.786 5.857 -2.620 1.00 0.00 C ATOM 1049 O VAL A 69 5.738 5.433 -1.465 1.00 0.00 O ATOM 1050 CB VAL A 69 4.873 4.646 -4.585 1.00 0.00 C ATOM 1051 CG1 VAL A 69 4.953 3.285 -3.915 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.826 4.659 -5.688 1.00 0.00 C ATOM 0 H VAL A 69 4.286 6.985 -5.207 1.00 0.00 H new ATOM 0 HA VAL A 69 3.699 5.472 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 69 5.840 4.851 -5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.159 2.522 -4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.753 3.291 -3.174 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.005 3.065 -3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.051 3.876 -6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.841 4.482 -5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.835 5.628 -6.187 1.00 0.00 H new ATOM 1062 N ASP A 70 6.868 6.434 -3.136 1.00 0.00 N ATOM 1063 CA ASP A 70 8.089 6.608 -2.354 1.00 0.00 C ATOM 1064 C ASP A 70 7.761 7.200 -0.992 1.00 0.00 C ATOM 1065 O ASP A 70 8.084 6.621 0.046 1.00 0.00 O ATOM 1066 CB ASP A 70 9.073 7.522 -3.090 1.00 0.00 C ATOM 1067 CG ASP A 70 10.238 6.762 -3.692 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.504 5.626 -3.243 1.00 0.00 O ATOM 1069 OD2 ASP A 70 10.889 7.304 -4.610 1.00 0.00 O ATOM 0 H ASP A 70 6.924 6.789 -4.091 1.00 0.00 H new ATOM 0 HA ASP A 70 8.551 5.630 -2.218 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.545 8.056 -3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.453 8.273 -2.397 1.00 0.00 H new ATOM 1074 N GLU A 71 7.113 8.358 -1.010 1.00 0.00 N ATOM 1075 CA GLU A 71 6.731 9.039 0.220 1.00 0.00 C ATOM 1076 C GLU A 71 6.055 8.061 1.168 1.00 0.00 C ATOM 1077 O GLU A 71 6.402 7.989 2.345 1.00 0.00 O ATOM 1078 CB GLU A 71 5.820 10.225 -0.101 1.00 0.00 C ATOM 1079 CG GLU A 71 6.549 11.564 -0.121 1.00 0.00 C ATOM 1080 CD GLU A 71 7.730 11.596 -1.073 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.373 10.544 -1.267 1.00 0.00 O ATOM 1082 OE2 GLU A 71 8.014 12.681 -1.622 1.00 0.00 O ATOM 0 H GLU A 71 6.841 8.845 -1.864 1.00 0.00 H new ATOM 0 HA GLU A 71 7.623 9.423 0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.352 10.061 -1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.019 10.268 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.845 12.348 -0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.898 11.794 0.886 1.00 0.00 H new ATOM 1089 N ALA A 72 5.107 7.290 0.642 1.00 0.00 N ATOM 1090 CA ALA A 72 4.396 6.291 1.435 1.00 0.00 C ATOM 1091 C ALA A 72 5.357 5.493 2.297 1.00 0.00 C ATOM 1092 O ALA A 72 5.200 5.398 3.509 1.00 0.00 O ATOM 1093 CB ALA A 72 3.658 5.333 0.519 1.00 0.00 C ATOM 0 H ALA A 72 4.813 7.338 -0.333 1.00 0.00 H new ATOM 0 HA ALA A 72 3.691 6.817 2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.130 4.591 1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.941 5.888 -0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.372 4.831 -0.134 1.00 0.00 H new ATOM 1099 N VAL A 73 6.348 4.914 1.648 1.00 0.00 N ATOM 1100 CA VAL A 73 7.338 4.107 2.337 1.00 0.00 C ATOM 1101 C VAL A 73 7.942 4.872 3.511 1.00 0.00 C ATOM 1102 O VAL A 73 8.132 4.321 4.588 1.00 0.00 O ATOM 1103 CB VAL A 73 8.462 3.642 1.388 1.00 0.00 C ATOM 1104 CG1 VAL A 73 9.306 2.559 2.048 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.889 3.140 0.062 1.00 0.00 C ATOM 0 H VAL A 73 6.490 4.987 0.641 1.00 0.00 H new ATOM 0 HA VAL A 73 6.821 3.223 2.712 1.00 0.00 H new ATOM 0 HB VAL A 73 9.101 4.500 1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.093 2.244 1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.754 2.953 2.960 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.675 1.705 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.703 2.819 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.221 2.299 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.334 3.944 -0.422 1.00 0.00 H new ATOM 1115 N ALA A 74 8.226 6.150 3.308 1.00 0.00 N ATOM 1116 CA ALA A 74 8.791 6.969 4.366 1.00 0.00 C ATOM 1117 C ALA A 74 7.748 7.273 5.438 1.00 0.00 C ATOM 1118 O ALA A 74 7.961 6.992 6.615 1.00 0.00 O ATOM 1119 CB ALA A 74 9.367 8.254 3.795 1.00 0.00 C ATOM 0 H ALA A 74 8.075 6.639 2.425 1.00 0.00 H new ATOM 0 HA ALA A 74 9.600 6.408 4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.786 8.855 4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.151 8.014 3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.578 8.816 3.296 1.00 0.00 H new ATOM 1125 N VAL A 75 6.623 7.849 5.022 1.00 0.00 N ATOM 1126 CA VAL A 75 5.550 8.198 5.951 1.00 0.00 C ATOM 1127 C VAL A 75 4.847 6.970 6.505 1.00 0.00 C ATOM 1128 O VAL A 75 4.833 6.737 7.707 1.00 0.00 O ATOM 1129 CB VAL A 75 4.495 9.108 5.294 1.00 0.00 C ATOM 1130 CG1 VAL A 75 3.956 8.538 3.987 1.00 0.00 C ATOM 1131 CG2 VAL A 75 3.367 9.424 6.264 1.00 0.00 C ATOM 0 H VAL A 75 6.430 8.084 4.048 1.00 0.00 H new ATOM 0 HA VAL A 75 6.034 8.732 6.768 1.00 0.00 H new ATOM 0 HB VAL A 75 5.000 10.040 5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.217 9.221 3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.775 8.413 3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.490 7.571 4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.636 10.068 5.775 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.884 8.498 6.575 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.771 9.933 7.139 1.00 0.00 H new ATOM 1141 N LEU A 76 4.238 6.215 5.613 1.00 0.00 N ATOM 1142 CA LEU A 76 3.484 5.022 5.990 1.00 0.00 C ATOM 1143 C LEU A 76 4.292 4.110 6.899 1.00 0.00 C ATOM 1144 O LEU A 76 3.900 3.845 8.035 1.00 0.00 O ATOM 1145 CB LEU A 76 3.060 4.256 4.738 1.00 0.00 C ATOM 1146 CG LEU A 76 2.017 3.166 4.965 1.00 0.00 C ATOM 1147 CD1 LEU A 76 1.259 2.883 3.682 1.00 0.00 C ATOM 1148 CD2 LEU A 76 2.677 1.901 5.496 1.00 0.00 C ATOM 0 H LEU A 76 4.247 6.404 4.611 1.00 0.00 H new ATOM 0 HA LEU A 76 2.601 5.348 6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.666 4.968 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.945 3.802 4.292 1.00 0.00 H new ATOM 0 HG LEU A 76 1.304 3.516 5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.519 2.103 3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.756 3.791 3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.957 2.551 2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.919 1.133 5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.412 1.544 4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.173 2.119 6.442 1.00 0.00 H new ATOM 1160 N GLN A 77 5.418 3.627 6.394 1.00 0.00 N ATOM 1161 CA GLN A 77 6.268 2.738 7.174 1.00 0.00 C ATOM 1162 C GLN A 77 6.559 3.357 8.543 1.00 0.00 C ATOM 1163 O GLN A 77 6.729 2.647 9.533 1.00 0.00 O ATOM 1164 CB GLN A 77 7.566 2.441 6.428 1.00 0.00 C ATOM 1165 CG GLN A 77 7.819 0.960 6.208 1.00 0.00 C ATOM 1166 CD GLN A 77 9.296 0.619 6.206 1.00 0.00 C ATOM 1167 OE1 GLN A 77 10.061 1.115 7.033 1.00 0.00 O ATOM 1168 NE2 GLN A 77 9.706 -0.229 5.269 1.00 0.00 N ATOM 0 H GLN A 77 5.762 3.833 5.456 1.00 0.00 H new ATOM 0 HA GLN A 77 5.743 1.795 7.323 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.542 2.944 5.461 1.00 0.00 H new ATOM 0 HB3 GLN A 77 8.401 2.864 6.987 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.318 0.389 6.990 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.378 0.656 5.259 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.037 -0.616 4.604 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.690 -0.493 5.215 1.00 0.00 H new ATOM 1177 N ALA A 78 6.599 4.689 8.588 1.00 0.00 N ATOM 1178 CA ALA A 78 6.851 5.413 9.831 1.00 0.00 C ATOM 1179 C ALA A 78 5.582 5.538 10.674 1.00 0.00 C ATOM 1180 O ALA A 78 5.604 5.309 11.883 1.00 0.00 O ATOM 1181 CB ALA A 78 7.422 6.791 9.537 1.00 0.00 C ATOM 0 H ALA A 78 6.459 5.289 7.775 1.00 0.00 H new ATOM 0 HA ALA A 78 7.580 4.840 10.404 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.604 7.317 10.474 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.360 6.687 8.991 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.712 7.358 8.935 1.00 0.00 H new ATOM 1187 N HIS A 79 4.478 5.917 10.029 1.00 0.00 N ATOM 1188 CA HIS A 79 3.205 6.085 10.721 1.00 0.00 C ATOM 1189 C HIS A 79 2.656 4.741 11.181 1.00 0.00 C ATOM 1190 O HIS A 79 2.454 4.520 12.375 1.00 0.00 O ATOM 1191 CB HIS A 79 2.191 6.781 9.807 1.00 0.00 C ATOM 1192 CG HIS A 79 1.587 8.009 10.414 1.00 0.00 C ATOM 1193 ND1 HIS A 79 0.371 8.007 11.066 1.00 0.00 N ATOM 1194 CD2 HIS A 79 2.035 9.286 10.469 1.00 0.00 C ATOM 1195 CE1 HIS A 79 0.098 9.226 11.494 1.00 0.00 C ATOM 1196 NE2 HIS A 79 1.092 10.021 11.146 1.00 0.00 N ATOM 0 H HIS A 79 4.442 6.113 9.029 1.00 0.00 H new ATOM 0 HA HIS A 79 3.376 6.706 11.600 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.682 7.051 8.872 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.395 6.079 9.558 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.962 9.658 10.057 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.788 9.522 12.036 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.151 11.019 11.347 1.00 0.00 H new ATOM 1536 N LYS B 5 5.213 13.357 4.790 1.00 0.00 N ATOM 1537 CA LYS B 5 5.345 13.006 3.381 1.00 0.00 C ATOM 1538 C LYS B 5 4.144 13.500 2.572 1.00 0.00 C ATOM 1539 O LYS B 5 3.330 14.281 3.063 1.00 0.00 O ATOM 1540 CB LYS B 5 5.501 11.497 3.225 1.00 0.00 C ATOM 1541 CG LYS B 5 6.724 10.938 3.936 1.00 0.00 C ATOM 1542 CD LYS B 5 8.017 11.460 3.328 1.00 0.00 C ATOM 1543 CE LYS B 5 8.786 12.325 4.309 1.00 0.00 C ATOM 1544 NZ LYS B 5 9.712 13.260 3.611 1.00 0.00 N ATOM 0 HA LYS B 5 6.238 13.498 2.994 1.00 0.00 H new ATOM 0 HB2 LYS B 5 4.609 11.005 3.612 1.00 0.00 H new ATOM 0 HB3 LYS B 5 5.564 11.254 2.164 1.00 0.00 H new ATOM 0 HG2 LYS B 5 6.685 11.205 4.992 1.00 0.00 H new ATOM 0 HG3 LYS B 5 6.710 9.849 3.882 1.00 0.00 H new ATOM 0 HD2 LYS B 5 8.639 10.620 3.017 1.00 0.00 H new ATOM 0 HD3 LYS B 5 7.791 12.038 2.432 1.00 0.00 H new ATOM 0 HE2 LYS B 5 8.085 12.895 4.919 1.00 0.00 H new ATOM 0 HE3 LYS B 5 9.354 11.689 4.987 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 10.220 13.834 4.314 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 10.397 12.715 3.049 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 9.167 13.884 2.983 1.00 0.00 H new ATOM 1558 N LEU B 6 4.050 13.038 1.330 1.00 0.00 N ATOM 1559 CA LEU B 6 2.963 13.423 0.436 1.00 0.00 C ATOM 1560 C LEU B 6 1.766 12.490 0.592 1.00 0.00 C ATOM 1561 O LEU B 6 0.617 12.929 0.582 1.00 0.00 O ATOM 1562 CB LEU B 6 3.448 13.391 -1.016 1.00 0.00 C ATOM 1563 CG LEU B 6 4.546 14.398 -1.355 1.00 0.00 C ATOM 1564 CD1 LEU B 6 5.339 13.932 -2.567 1.00 0.00 C ATOM 1565 CD2 LEU B 6 3.947 15.773 -1.604 1.00 0.00 C ATOM 0 H LEU B 6 4.720 12.390 0.916 1.00 0.00 H new ATOM 0 HA LEU B 6 2.651 14.434 0.699 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.814 12.389 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.596 13.572 -1.671 1.00 0.00 H new ATOM 0 HG LEU B 6 5.226 14.468 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.117 14.661 -2.795 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.798 12.967 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.671 13.834 -3.423 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.743 16.478 -1.844 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.246 15.719 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.422 16.109 -0.710 1.00 0.00 H new ATOM 1577 N SER B 7 2.050 11.201 0.733 1.00 0.00 N ATOM 1578 CA SER B 7 1.006 10.201 0.888 1.00 0.00 C ATOM 1579 C SER B 7 0.968 9.678 2.320 1.00 0.00 C ATOM 1580 O SER B 7 1.401 8.558 2.594 1.00 0.00 O ATOM 1581 CB SER B 7 1.246 9.046 -0.080 1.00 0.00 C ATOM 1582 OG SER B 7 2.416 8.331 0.271 1.00 0.00 O ATOM 0 H SER B 7 2.998 10.825 0.743 1.00 0.00 H new ATOM 0 HA SER B 7 0.046 10.666 0.664 1.00 0.00 H new ATOM 0 HB2 SER B 7 0.388 8.374 -0.072 1.00 0.00 H new ATOM 0 HB3 SER B 7 1.340 9.430 -1.096 1.00 0.00 H new ATOM 0 HG SER B 7 2.321 7.974 1.179 1.00 0.00 H new ATOM 1588 N VAL B 8 0.454 10.495 3.229 1.00 0.00 N ATOM 1589 CA VAL B 8 0.367 10.117 4.631 1.00 0.00 C ATOM 1590 C VAL B 8 -0.385 8.806 4.807 1.00 0.00 C ATOM 1591 O VAL B 8 -0.843 8.205 3.838 1.00 0.00 O ATOM 1592 CB VAL B 8 -0.323 11.208 5.470 1.00 0.00 C ATOM 1593 CG1 VAL B 8 0.595 12.408 5.648 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.643 11.619 4.834 1.00 0.00 C ATOM 0 H VAL B 8 0.091 11.425 3.019 1.00 0.00 H new ATOM 0 HA VAL B 8 1.391 9.993 4.983 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.538 10.799 6.457 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.089 13.168 6.244 1.00 0.00 H new ATOM 0 HG12 VAL B 8 1.507 12.096 6.157 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.847 12.821 4.671 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -2.115 12.391 5.442 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.459 12.008 3.833 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -2.302 10.753 4.771 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.499 8.361 6.053 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.184 7.116 6.362 1.00 0.00 C ATOM 1606 C ASN B 9 -2.708 7.276 6.294 1.00 0.00 C ATOM 1607 O ASN B 9 -3.411 6.976 7.258 1.00 0.00 O ATOM 1608 CB ASN B 9 -0.773 6.629 7.754 1.00 0.00 C ATOM 1609 CG ASN B 9 -0.928 5.133 7.902 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -0.034 4.391 7.270 1.00 0.00 O flip ATOM 1611 ND2 ASN B 9 -1.838 4.652 8.577 1.00 0.00 N flip ATOM 0 H ASN B 9 -0.124 8.848 6.867 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.893 6.379 5.614 1.00 0.00 H new ATOM 0 HB2 ASN B 9 0.264 6.906 7.943 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.379 7.132 8.507 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.504 5.266 9.046 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -1.926 3.640 8.667 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.216 7.766 5.159 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.652 7.982 4.987 1.00 0.00 C ATOM 1620 C ALA B 10 -5.468 6.751 5.385 1.00 0.00 C ATOM 1621 O ALA B 10 -4.908 5.724 5.765 1.00 0.00 O ATOM 1622 CB ALA B 10 -4.950 8.370 3.546 1.00 0.00 C ATOM 0 H ALA B 10 -2.653 8.020 4.347 1.00 0.00 H new ATOM 0 HA ALA B 10 -4.947 8.795 5.650 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -6.022 8.529 3.426 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.417 9.288 3.299 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.625 7.571 2.879 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.812 6.846 5.305 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.713 5.742 5.661 1.00 0.00 C ATOM 1630 C PRO B 11 -7.358 4.448 4.935 1.00 0.00 C ATOM 1631 O PRO B 11 -6.230 4.276 4.476 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.090 6.246 5.224 1.00 0.00 C ATOM 1633 CG PRO B 11 -8.975 7.729 5.276 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.562 8.044 4.873 1.00 0.00 C ATOM 0 HA PRO B 11 -7.656 5.496 6.721 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.339 5.902 4.220 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -9.875 5.885 5.889 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.689 8.201 4.600 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.189 8.103 6.277 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.477 8.207 3.799 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.196 8.946 5.362 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.329 3.550 4.799 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.121 2.293 4.091 1.00 0.00 C ATOM 1644 C GLU B 12 -8.284 2.468 2.578 1.00 0.00 C ATOM 1645 O GLU B 12 -8.502 3.572 2.080 1.00 0.00 O ATOM 1646 CB GLU B 12 -9.105 1.235 4.606 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.526 -0.170 4.699 1.00 0.00 C ATOM 1648 CD GLU B 12 -7.190 -0.209 5.414 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -7.189 -0.293 6.660 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -6.148 -0.153 4.729 1.00 0.00 O ATOM 0 H GLU B 12 -9.271 3.671 5.172 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.099 1.964 4.282 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.459 1.535 5.592 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -9.974 1.214 3.948 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -9.232 -0.815 5.222 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -8.407 -0.576 3.695 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.190 1.350 1.868 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.340 1.338 0.416 1.00 0.00 C ATOM 1659 C PHE B 13 -9.723 0.811 0.035 1.00 0.00 C ATOM 1660 O PHE B 13 -10.057 -0.349 0.277 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.228 0.521 -0.255 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.292 -0.960 -0.013 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -7.226 -1.485 1.269 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.399 -1.830 -1.081 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -7.275 -2.850 1.475 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.446 -3.192 -0.878 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.388 -3.701 0.395 1.00 0.00 C ATOM 0 H PHE B 13 -8.009 0.433 2.277 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.249 2.362 0.053 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.265 0.700 -1.330 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.265 0.890 0.097 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -7.135 -0.820 2.115 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.446 -1.438 -2.086 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -7.225 -3.249 2.477 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -7.529 -3.860 -1.722 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.431 -4.769 0.552 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.511 1.694 -0.580 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.864 1.368 -1.033 1.00 0.00 C ATOM 1679 C TYR B 14 -11.985 1.513 -2.553 1.00 0.00 C ATOM 1680 O TYR B 14 -11.086 2.050 -3.199 1.00 0.00 O ATOM 1681 CB TYR B 14 -12.886 2.267 -0.335 1.00 0.00 C ATOM 1682 CG TYR B 14 -12.549 2.564 1.108 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -12.535 1.553 2.059 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -12.246 3.856 1.515 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -12.228 1.821 3.379 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -11.937 4.132 2.832 1.00 0.00 C ATOM 1687 CZ TYR B 14 -11.930 3.113 3.760 1.00 0.00 C ATOM 1688 OH TYR B 14 -11.623 3.385 5.074 1.00 0.00 O ATOM 0 H TYR B 14 -10.230 2.654 -0.778 1.00 0.00 H new ATOM 0 HA TYR B 14 -12.068 0.329 -0.773 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.963 3.207 -0.882 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.866 1.791 -0.380 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -12.768 0.541 1.762 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -12.252 4.657 0.791 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -12.221 1.024 4.108 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -11.702 5.142 3.134 1.00 0.00 H new ATOM 0 HH TYR B 14 -11.437 4.342 5.175 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.112 1.067 -3.148 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.332 1.190 -4.593 1.00 0.00 C ATOM 1700 C PRO B 15 -13.498 2.644 -5.023 1.00 0.00 C ATOM 1701 O PRO B 15 -14.605 3.195 -5.020 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.620 0.408 -4.837 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.326 0.403 -3.526 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.256 0.427 -2.469 1.00 0.00 C ATOM 0 HA PRO B 15 -12.485 0.813 -5.166 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.227 0.880 -5.610 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.407 -0.607 -5.174 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -15.982 1.269 -3.435 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -15.952 -0.484 -3.425 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.571 0.994 -1.593 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.008 -0.578 -2.126 1.00 0.00 H new ATOM 1712 N SER B 16 -12.387 3.256 -5.399 1.00 0.00 N ATOM 1713 CA SER B 16 -12.380 4.647 -5.838 1.00 0.00 C ATOM 1714 C SER B 16 -13.436 4.882 -6.906 1.00 0.00 C ATOM 1715 O SER B 16 -14.357 5.677 -6.726 1.00 0.00 O ATOM 1716 CB SER B 16 -11.004 5.008 -6.379 1.00 0.00 C ATOM 1717 OG SER B 16 -10.575 6.260 -5.883 1.00 0.00 O ATOM 0 H SER B 16 -11.470 2.809 -5.410 1.00 0.00 H new ATOM 0 HA SER B 16 -12.611 5.282 -4.983 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.286 4.237 -6.099 1.00 0.00 H new ATOM 0 HB3 SER B 16 -11.034 5.036 -7.468 1.00 0.00 H new ATOM 0 HG SER B 16 -10.205 6.146 -4.983 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.292 4.176 -8.015 1.00 0.00 N ATOM 1724 CA GLY B 17 -14.234 4.302 -9.107 1.00 0.00 C ATOM 1725 C GLY B 17 -15.491 3.487 -8.882 1.00 0.00 C ATOM 1726 O GLY B 17 -15.863 2.666 -9.723 1.00 0.00 O ATOM 0 H GLY B 17 -12.534 3.513 -8.180 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.502 5.351 -9.233 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.757 3.981 -10.033 1.00 0.00 H new ATOM 1730 N TYR B 18 -16.157 3.718 -7.754 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.390 3.009 -7.437 1.00 0.00 C ATOM 1732 C TYR B 18 -18.471 3.318 -8.468 1.00 0.00 C ATOM 1733 O TYR B 18 -19.038 4.411 -8.474 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.878 3.408 -6.042 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.398 2.251 -5.226 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.711 1.047 -5.185 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.575 2.361 -4.500 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.181 -0.017 -4.442 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.053 1.303 -3.752 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.351 0.114 -3.725 1.00 0.00 C ATOM 1741 OH TYR B 18 -19.824 -0.944 -2.984 1.00 0.00 O ATOM 0 H TYR B 18 -15.863 4.390 -7.046 1.00 0.00 H new ATOM 0 HA TYR B 18 -17.186 1.939 -7.457 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -17.058 3.882 -5.502 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.667 4.153 -6.142 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.793 0.940 -5.744 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -20.127 3.289 -4.520 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.634 -0.948 -4.422 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -20.970 1.405 -3.191 1.00 0.00 H new ATOM 0 HH TYR B 18 -20.658 -0.685 -2.539 1.00 0.00 H new