USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=22 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 18 GLN :FLIP amide:sc= 1.05 F(o=-2.2,f=2.3) USER MOD Set 1.2: B 18 TYR OH : rot -100:sc= 1.24 USER MOD Set 2.1: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc=-0.00623 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 91:sc= 0.0188 USER MOD Single : A 20 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.071) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc=-0.00412 (180deg=-0.00412) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 33 GLN : amide:sc=-0.00796 X(o=-0.008,f=-0.21) USER MOD Single : A 35 MET CE :methyl -104:sc= -0.752 (180deg=-2.56!) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -6.19! C(o=-8!,f=-6.2!) USER MOD Single : A 38 THR OG1 : rot 110:sc= -0.594 USER MOD Single : A 42 LYS NZ :NH3+ 142:sc= 0.614 (180deg=-0.000517) USER MOD Single : A 44 THR OG1 : rot 77:sc= 1.15 USER MOD Single : A 46 MET CE :methyl -121:sc= -1.6 (180deg=-4.12!) USER MOD Single : A 52 ASN :FLIP amide:sc= -4.66 F(o=-5.8!,f=-4.7) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.096 X(o=-0.096,f=-0.33) USER MOD Single : A 58 MET CE :methyl -155:sc= -3.85! (180deg=-6.56!) USER MOD Single : A 61 SER OG : rot -71:sc= 0.493 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 68 LYS NZ :NH3+ 132:sc= 0.647 (180deg=-0.26) USER MOD Single : A 77 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.0526 X(o=-0.053,f=-0.059) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 SER OG : rot -125:sc= 0.863 USER MOD Single : B 9 ASN : amide:sc= -1.2 K(o=-1.2,f=-6.5!) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot 67:sc= -3.39! USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -3.198 -7.711 -12.097 1.00 0.00 N ATOM 95 CA THR A 8 -4.036 -6.571 -11.745 1.00 0.00 C ATOM 96 C THR A 8 -5.075 -6.310 -12.820 1.00 0.00 C ATOM 97 O THR A 8 -6.219 -5.976 -12.513 1.00 0.00 O ATOM 98 CB THR A 8 -3.172 -5.322 -11.556 1.00 0.00 C ATOM 99 OG1 THR A 8 -2.579 -4.934 -12.783 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.059 -5.508 -10.549 1.00 0.00 C ATOM 0 HA THR A 8 -4.549 -6.804 -10.812 1.00 0.00 H new ATOM 0 HB THR A 8 -3.852 -4.556 -11.183 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.032 -4.133 -12.643 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.487 -4.584 -10.465 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.485 -5.761 -9.578 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.402 -6.313 -10.877 1.00 0.00 H new ATOM 108 N ALA A 9 -4.694 -6.488 -14.076 1.00 0.00 N ATOM 109 CA ALA A 9 -5.633 -6.293 -15.165 1.00 0.00 C ATOM 110 C ALA A 9 -6.824 -7.223 -14.971 1.00 0.00 C ATOM 111 O ALA A 9 -7.937 -6.778 -14.691 1.00 0.00 O ATOM 112 CB ALA A 9 -4.962 -6.541 -16.509 1.00 0.00 C ATOM 0 H ALA A 9 -3.754 -6.763 -14.362 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.981 -5.260 -15.159 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.685 -6.389 -17.310 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.131 -5.847 -16.634 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.589 -7.565 -16.546 1.00 0.00 H new ATOM 118 N SER A 10 -6.580 -8.519 -15.136 1.00 0.00 N ATOM 119 CA SER A 10 -7.628 -9.526 -14.995 1.00 0.00 C ATOM 120 C SER A 10 -8.287 -9.485 -13.617 1.00 0.00 C ATOM 121 O SER A 10 -9.436 -9.907 -13.464 1.00 0.00 O ATOM 122 CB SER A 10 -7.052 -10.920 -15.250 1.00 0.00 C ATOM 123 OG SER A 10 -8.080 -11.855 -15.524 1.00 0.00 O ATOM 0 H SER A 10 -5.662 -8.899 -15.368 1.00 0.00 H new ATOM 0 HA SER A 10 -8.396 -9.300 -15.735 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.358 -10.882 -16.090 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.482 -11.246 -14.380 1.00 0.00 H new ATOM 0 HG SER A 10 -7.685 -12.737 -15.685 1.00 0.00 H new ATOM 129 N MET A 11 -7.577 -8.977 -12.611 1.00 0.00 N ATOM 130 CA MET A 11 -8.141 -8.910 -11.273 1.00 0.00 C ATOM 131 C MET A 11 -9.355 -7.993 -11.285 1.00 0.00 C ATOM 132 O MET A 11 -10.376 -8.279 -10.660 1.00 0.00 O ATOM 133 CB MET A 11 -7.064 -8.443 -10.278 1.00 0.00 C ATOM 134 CG MET A 11 -7.391 -7.179 -9.504 1.00 0.00 C ATOM 135 SD MET A 11 -8.350 -7.507 -8.012 1.00 0.00 S ATOM 136 CE MET A 11 -7.038 -7.809 -6.828 1.00 0.00 C ATOM 0 H MET A 11 -6.628 -8.613 -12.698 1.00 0.00 H new ATOM 0 HA MET A 11 -8.474 -9.896 -10.950 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.880 -9.247 -9.565 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.135 -8.283 -10.825 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.464 -6.674 -9.232 1.00 0.00 H new ATOM 0 HG3 MET A 11 -7.948 -6.498 -10.147 1.00 0.00 H new ATOM 0 HE1 MET A 11 -7.472 -8.027 -5.852 1.00 0.00 H new ATOM 0 HE2 MET A 11 -6.439 -8.658 -7.157 1.00 0.00 H new ATOM 0 HE3 MET A 11 -6.404 -6.925 -6.754 1.00 0.00 H new ATOM 146 N LEU A 12 -9.233 -6.900 -12.019 1.00 0.00 N ATOM 147 CA LEU A 12 -10.317 -5.938 -12.146 1.00 0.00 C ATOM 148 C LEU A 12 -11.539 -6.601 -12.768 1.00 0.00 C ATOM 149 O LEU A 12 -12.622 -6.606 -12.182 1.00 0.00 O ATOM 150 CB LEU A 12 -9.870 -4.740 -12.994 1.00 0.00 C ATOM 151 CG LEU A 12 -10.281 -3.363 -12.460 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.674 -2.996 -12.946 1.00 0.00 C ATOM 153 CD2 LEU A 12 -10.223 -3.340 -10.942 1.00 0.00 C ATOM 0 H LEU A 12 -8.390 -6.655 -12.539 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.583 -5.579 -11.152 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.784 -4.766 -13.084 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.276 -4.857 -13.999 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.578 -2.623 -12.842 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.949 -2.016 -12.557 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.684 -2.970 -14.036 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.390 -3.739 -12.594 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.518 -2.355 -10.582 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.903 -4.092 -10.540 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.207 -3.557 -10.613 1.00 0.00 H new ATOM 165 N ALA A 13 -11.352 -7.181 -13.949 1.00 0.00 N ATOM 166 CA ALA A 13 -12.430 -7.875 -14.645 1.00 0.00 C ATOM 167 C ALA A 13 -12.791 -9.187 -13.944 1.00 0.00 C ATOM 168 O ALA A 13 -13.593 -9.974 -14.449 1.00 0.00 O ATOM 169 CB ALA A 13 -12.030 -8.139 -16.082 1.00 0.00 C ATOM 0 H ALA A 13 -10.461 -7.184 -14.446 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.313 -7.236 -14.629 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.840 -8.657 -16.596 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.829 -7.192 -16.584 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.133 -8.758 -16.102 1.00 0.00 H new ATOM 175 N SER A 14 -12.201 -9.406 -12.774 1.00 0.00 N ATOM 176 CA SER A 14 -12.461 -10.608 -11.992 1.00 0.00 C ATOM 177 C SER A 14 -13.443 -10.331 -10.849 1.00 0.00 C ATOM 178 O SER A 14 -13.663 -11.191 -9.996 1.00 0.00 O ATOM 179 CB SER A 14 -11.152 -11.169 -11.432 1.00 0.00 C ATOM 180 OG SER A 14 -10.737 -12.315 -12.155 1.00 0.00 O ATOM 0 H SER A 14 -11.536 -8.763 -12.345 1.00 0.00 H new ATOM 0 HA SER A 14 -12.914 -11.345 -12.655 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.376 -10.405 -11.479 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.283 -11.426 -10.381 1.00 0.00 H new ATOM 0 HG SER A 14 -10.157 -12.042 -12.896 1.00 0.00 H new ATOM 186 N ALA A 15 -14.038 -9.136 -10.834 1.00 0.00 N ATOM 187 CA ALA A 15 -14.994 -8.777 -9.792 1.00 0.00 C ATOM 188 C ALA A 15 -16.239 -8.107 -10.380 1.00 0.00 C ATOM 189 O ALA A 15 -16.160 -7.425 -11.402 1.00 0.00 O ATOM 190 CB ALA A 15 -14.330 -7.866 -8.781 1.00 0.00 C ATOM 0 H ALA A 15 -13.874 -8.407 -11.528 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.318 -9.692 -9.295 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.047 -7.600 -8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.481 -8.380 -8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.983 -6.961 -9.280 1.00 0.00 H new ATOM 196 N PRO A 16 -17.411 -8.309 -9.744 1.00 0.00 N ATOM 197 CA PRO A 16 -18.682 -7.739 -10.200 1.00 0.00 C ATOM 198 C PRO A 16 -18.571 -6.268 -10.612 1.00 0.00 C ATOM 199 O PRO A 16 -17.497 -5.671 -10.549 1.00 0.00 O ATOM 200 CB PRO A 16 -19.619 -7.880 -8.991 1.00 0.00 C ATOM 201 CG PRO A 16 -18.844 -8.582 -7.918 1.00 0.00 C ATOM 202 CD PRO A 16 -17.590 -9.130 -8.542 1.00 0.00 C ATOM 0 HA PRO A 16 -19.037 -8.255 -11.092 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.955 -6.902 -8.647 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.510 -8.448 -9.258 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.599 -7.892 -7.110 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.437 -9.386 -7.482 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.737 -9.044 -7.868 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.695 -10.186 -8.791 1.00 0.00 H new ATOM 210 N PRO A 17 -19.695 -5.669 -11.051 1.00 0.00 N ATOM 211 CA PRO A 17 -19.732 -4.269 -11.492 1.00 0.00 C ATOM 212 C PRO A 17 -19.067 -3.303 -10.505 1.00 0.00 C ATOM 213 O PRO A 17 -17.924 -2.901 -10.710 1.00 0.00 O ATOM 214 CB PRO A 17 -21.231 -3.980 -11.631 1.00 0.00 C ATOM 215 CG PRO A 17 -21.847 -5.307 -11.908 1.00 0.00 C ATOM 216 CD PRO A 17 -21.017 -6.318 -11.164 1.00 0.00 C ATOM 0 HA PRO A 17 -19.171 -4.123 -12.415 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -21.635 -3.538 -10.720 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.425 -3.276 -12.440 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -22.884 -5.332 -11.573 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.852 -5.518 -12.977 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.439 -6.540 -10.184 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.955 -7.262 -11.706 1.00 0.00 H new ATOM 224 N GLN A 18 -19.785 -2.919 -9.449 1.00 0.00 N ATOM 225 CA GLN A 18 -19.255 -1.983 -8.455 1.00 0.00 C ATOM 226 C GLN A 18 -17.954 -2.479 -7.841 1.00 0.00 C ATOM 227 O GLN A 18 -17.198 -1.694 -7.267 1.00 0.00 O ATOM 228 CB GLN A 18 -20.287 -1.728 -7.355 1.00 0.00 C ATOM 229 CG GLN A 18 -20.816 -2.998 -6.707 1.00 0.00 C ATOM 230 CD GLN A 18 -21.938 -2.725 -5.725 1.00 0.00 C ATOM 231 OE1 GLN A 18 -21.590 -2.587 -4.451 1.00 0.00 O flip ATOM 232 NE2 GLN A 18 -23.105 -2.638 -6.107 1.00 0.00 N flip ATOM 0 H GLN A 18 -20.734 -3.241 -9.259 1.00 0.00 H new ATOM 0 HA GLN A 18 -19.043 -1.049 -8.975 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.838 -1.098 -6.587 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.123 -1.170 -7.776 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -21.173 -3.676 -7.482 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.001 -3.505 -6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -23.328 -2.751 -7.096 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -23.849 -2.453 -5.435 1.00 0.00 H new ATOM 241 N GLU A 19 -17.677 -3.768 -7.973 1.00 0.00 N ATOM 242 CA GLU A 19 -16.444 -4.324 -7.438 1.00 0.00 C ATOM 243 C GLU A 19 -15.303 -4.126 -8.433 1.00 0.00 C ATOM 244 O GLU A 19 -14.407 -4.958 -8.543 1.00 0.00 O ATOM 245 CB GLU A 19 -16.620 -5.810 -7.114 1.00 0.00 C ATOM 246 CG GLU A 19 -17.197 -6.058 -5.728 1.00 0.00 C ATOM 247 CD GLU A 19 -16.340 -6.989 -4.893 1.00 0.00 C ATOM 248 OE1 GLU A 19 -15.103 -6.970 -5.065 1.00 0.00 O ATOM 249 OE2 GLU A 19 -16.905 -7.734 -4.066 1.00 0.00 O ATOM 0 H GLU A 19 -18.283 -4.442 -8.441 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.198 -3.800 -6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.274 -6.262 -7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.654 -6.309 -7.193 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.304 -5.106 -5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.197 -6.482 -5.826 1.00 0.00 H new ATOM 256 N GLN A 20 -15.314 -2.984 -9.118 1.00 0.00 N ATOM 257 CA GLN A 20 -14.250 -2.654 -10.058 1.00 0.00 C ATOM 258 C GLN A 20 -12.965 -2.361 -9.293 1.00 0.00 C ATOM 259 O GLN A 20 -12.168 -3.256 -9.016 1.00 0.00 O ATOM 260 CB GLN A 20 -14.613 -1.465 -10.979 1.00 0.00 C ATOM 261 CG GLN A 20 -15.828 -0.658 -10.546 1.00 0.00 C ATOM 262 CD GLN A 20 -16.290 0.312 -11.615 1.00 0.00 C ATOM 263 OE1 GLN A 20 -17.416 0.226 -12.104 1.00 0.00 O ATOM 264 NE2 GLN A 20 -15.418 1.242 -11.985 1.00 0.00 N ATOM 0 H GLN A 20 -16.045 -2.277 -9.039 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.107 -3.518 -10.707 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.754 -0.796 -11.037 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.789 -1.846 -11.985 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.643 -1.338 -10.300 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.589 -0.106 -9.637 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.495 1.276 -11.553 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.671 1.922 -12.702 1.00 0.00 H new ATOM 273 N LYS A 21 -12.790 -1.092 -8.937 1.00 0.00 N ATOM 274 CA LYS A 21 -11.622 -0.639 -8.184 1.00 0.00 C ATOM 275 C LYS A 21 -11.760 -0.961 -6.698 1.00 0.00 C ATOM 276 O LYS A 21 -11.046 -0.401 -5.867 1.00 0.00 O ATOM 277 CB LYS A 21 -11.430 0.864 -8.380 1.00 0.00 C ATOM 278 CG LYS A 21 -11.828 1.339 -9.767 1.00 0.00 C ATOM 279 CD LYS A 21 -10.614 1.670 -10.619 1.00 0.00 C ATOM 280 CE LYS A 21 -10.091 0.439 -11.342 1.00 0.00 C ATOM 281 NZ LYS A 21 -10.628 0.336 -12.727 1.00 0.00 N ATOM 0 H LYS A 21 -13.452 -0.349 -9.161 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.748 -1.169 -8.562 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.019 1.400 -7.636 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.385 1.117 -8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.419 0.567 -10.260 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.463 2.221 -9.681 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.877 2.437 -11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.828 2.085 -9.989 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.002 0.474 -11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.363 -0.455 -10.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.247 -0.517 -13.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.666 0.276 -12.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.347 1.176 -13.272 1.00 0.00 H new ATOM 295 N GLN A 22 -12.676 -1.865 -6.372 1.00 0.00 N ATOM 296 CA GLN A 22 -12.910 -2.257 -4.985 1.00 0.00 C ATOM 297 C GLN A 22 -11.697 -2.946 -4.383 1.00 0.00 C ATOM 298 O GLN A 22 -11.109 -2.454 -3.421 1.00 0.00 O ATOM 299 CB GLN A 22 -14.126 -3.176 -4.889 1.00 0.00 C ATOM 300 CG GLN A 22 -15.109 -2.771 -3.803 1.00 0.00 C ATOM 301 CD GLN A 22 -15.233 -3.811 -2.705 1.00 0.00 C ATOM 302 OE1 GLN A 22 -16.163 -4.617 -2.700 1.00 0.00 O ATOM 303 NE2 GLN A 22 -14.294 -3.797 -1.765 1.00 0.00 N ATOM 0 H GLN A 22 -13.271 -2.342 -7.050 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.098 -1.346 -4.417 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.641 -3.185 -5.849 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.787 -4.195 -4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -14.791 -1.824 -3.366 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.089 -2.603 -4.250 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.540 -3.111 -1.807 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.327 -4.472 -1.001 1.00 0.00 H new ATOM 312 N MET A 23 -11.324 -4.093 -4.940 1.00 0.00 N ATOM 313 CA MET A 23 -10.184 -4.831 -4.430 1.00 0.00 C ATOM 314 C MET A 23 -8.931 -3.957 -4.444 1.00 0.00 C ATOM 315 O MET A 23 -8.658 -3.252 -3.481 1.00 0.00 O ATOM 316 CB MET A 23 -9.970 -6.122 -5.237 1.00 0.00 C ATOM 317 CG MET A 23 -11.241 -6.935 -5.444 1.00 0.00 C ATOM 318 SD MET A 23 -11.388 -8.308 -4.284 1.00 0.00 S ATOM 319 CE MET A 23 -10.495 -9.588 -5.161 1.00 0.00 C ATOM 0 H MET A 23 -11.792 -4.525 -5.737 1.00 0.00 H new ATOM 0 HA MET A 23 -10.386 -5.112 -3.397 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.551 -5.866 -6.210 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.233 -6.741 -4.726 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.107 -6.281 -5.338 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.257 -7.322 -6.463 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.497 -10.504 -4.570 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.976 -9.775 -6.121 1.00 0.00 H new ATOM 0 HE3 MET A 23 -9.467 -9.266 -5.327 1.00 0.00 H new ATOM 329 N LEU A 24 -8.175 -4.004 -5.533 1.00 0.00 N ATOM 330 CA LEU A 24 -6.947 -3.216 -5.657 1.00 0.00 C ATOM 331 C LEU A 24 -7.194 -1.705 -5.621 1.00 0.00 C ATOM 332 O LEU A 24 -6.801 -1.003 -6.553 1.00 0.00 O ATOM 333 CB LEU A 24 -6.207 -3.581 -6.951 1.00 0.00 C ATOM 334 CG LEU A 24 -7.061 -4.089 -8.115 1.00 0.00 C ATOM 335 CD1 LEU A 24 -8.229 -3.154 -8.396 1.00 0.00 C ATOM 336 CD2 LEU A 24 -6.191 -4.257 -9.350 1.00 0.00 C ATOM 0 H LEU A 24 -8.388 -4.580 -6.347 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.336 -3.465 -4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.661 -2.701 -7.290 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.466 -4.345 -6.715 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.481 -5.057 -7.841 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.815 -3.544 -9.228 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.860 -3.083 -7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.850 -2.165 -8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.801 -4.619 -10.178 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.749 -3.297 -9.617 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.399 -4.976 -9.142 1.00 0.00 H new ATOM 348 N GLY A 25 -7.828 -1.194 -4.554 1.00 0.00 N ATOM 349 CA GLY A 25 -8.088 0.236 -4.461 1.00 0.00 C ATOM 350 C GLY A 25 -8.238 0.890 -5.822 1.00 0.00 C ATOM 351 O GLY A 25 -8.770 0.283 -6.752 1.00 0.00 O ATOM 0 H GLY A 25 -8.161 -1.744 -3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.996 0.400 -3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.273 0.716 -3.919 1.00 0.00 H new ATOM 355 N GLU A 26 -7.745 2.114 -5.955 1.00 0.00 N ATOM 356 CA GLU A 26 -7.805 2.805 -7.235 1.00 0.00 C ATOM 357 C GLU A 26 -6.778 2.197 -8.189 1.00 0.00 C ATOM 358 O GLU A 26 -7.098 1.330 -9.002 1.00 0.00 O ATOM 359 CB GLU A 26 -7.562 4.318 -7.096 1.00 0.00 C ATOM 360 CG GLU A 26 -7.043 4.753 -5.737 1.00 0.00 C ATOM 361 CD GLU A 26 -8.161 4.991 -4.748 1.00 0.00 C ATOM 362 OE1 GLU A 26 -8.655 4.006 -4.161 1.00 0.00 O ATOM 363 OE2 GLU A 26 -8.543 6.165 -4.558 1.00 0.00 O ATOM 0 H GLU A 26 -7.304 2.643 -5.202 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.811 2.677 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.849 4.630 -7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.496 4.843 -7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.370 3.990 -5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.458 5.666 -5.849 1.00 0.00 H new ATOM 370 N ARG A 27 -5.539 2.680 -8.081 1.00 0.00 N ATOM 371 CA ARG A 27 -4.449 2.209 -8.935 1.00 0.00 C ATOM 372 C ARG A 27 -3.119 2.123 -8.184 1.00 0.00 C ATOM 373 O ARG A 27 -2.067 1.947 -8.800 1.00 0.00 O ATOM 374 CB ARG A 27 -4.288 3.145 -10.135 1.00 0.00 C ATOM 375 CG ARG A 27 -4.268 2.422 -11.470 1.00 0.00 C ATOM 376 CD ARG A 27 -5.659 1.966 -11.878 1.00 0.00 C ATOM 377 NE ARG A 27 -6.004 2.414 -13.225 1.00 0.00 N ATOM 378 CZ ARG A 27 -6.705 1.691 -14.095 1.00 0.00 C ATOM 379 NH1 ARG A 27 -7.142 0.480 -13.771 1.00 0.00 N ATOM 380 NH2 ARG A 27 -6.969 2.182 -15.298 1.00 0.00 N ATOM 0 H ARG A 27 -5.266 3.398 -7.410 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.712 1.205 -9.268 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.104 3.867 -10.134 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.363 3.710 -10.023 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.861 3.082 -12.236 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.605 1.559 -11.408 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.713 0.878 -11.832 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.391 2.352 -11.168 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.688 3.339 -13.517 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.941 0.095 -12.848 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.678 -0.066 -14.445 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.635 3.111 -15.554 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.506 1.631 -15.967 1.00 0.00 H new ATOM 394 N LEU A 28 -3.152 2.254 -6.864 1.00 0.00 N ATOM 395 CA LEU A 28 -1.926 2.204 -6.072 1.00 0.00 C ATOM 396 C LEU A 28 -1.448 0.778 -5.831 1.00 0.00 C ATOM 397 O LEU A 28 -0.257 0.496 -5.949 1.00 0.00 O ATOM 398 CB LEU A 28 -2.130 2.935 -4.753 1.00 0.00 C ATOM 399 CG LEU A 28 -2.627 4.365 -4.918 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.483 4.780 -3.734 1.00 0.00 C ATOM 401 CD2 LEU A 28 -1.451 5.312 -5.105 1.00 0.00 C ATOM 0 H LEU A 28 -4.004 2.394 -6.322 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.144 2.704 -6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.844 2.379 -4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.188 2.948 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.252 4.416 -5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.826 5.805 -3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.344 4.116 -3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.894 4.717 -2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.820 6.331 -5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.799 5.260 -4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.890 5.025 -5.995 1.00 0.00 H new ATOM 413 N PHE A 29 -2.370 -0.124 -5.502 1.00 0.00 N ATOM 414 CA PHE A 29 -2.008 -1.520 -5.262 1.00 0.00 C ATOM 415 C PHE A 29 -1.113 -2.038 -6.388 1.00 0.00 C ATOM 416 O PHE A 29 -0.073 -2.634 -6.132 1.00 0.00 O ATOM 417 CB PHE A 29 -3.258 -2.380 -5.132 1.00 0.00 C ATOM 418 CG PHE A 29 -3.004 -3.795 -4.686 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.154 -4.095 -3.625 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.654 -4.832 -5.324 1.00 0.00 C ATOM 421 CE1 PHE A 29 -1.974 -5.412 -3.227 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.481 -6.138 -4.929 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.643 -6.430 -3.877 1.00 0.00 C ATOM 0 H PHE A 29 -3.363 0.083 -5.396 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.453 -1.579 -4.326 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.936 -1.906 -4.423 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.769 -2.403 -6.095 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.633 -3.301 -3.111 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.313 -4.613 -6.151 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.309 -5.641 -2.407 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.001 -6.932 -5.443 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.509 -7.454 -3.560 1.00 0.00 H new ATOM 433 N PRO A 30 -1.492 -1.785 -7.655 1.00 0.00 N ATOM 434 CA PRO A 30 -0.693 -2.203 -8.809 1.00 0.00 C ATOM 435 C PRO A 30 0.701 -1.582 -8.770 1.00 0.00 C ATOM 436 O PRO A 30 1.701 -2.254 -9.025 1.00 0.00 O ATOM 437 CB PRO A 30 -1.474 -1.674 -10.019 1.00 0.00 C ATOM 438 CG PRO A 30 -2.844 -1.368 -9.515 1.00 0.00 C ATOM 439 CD PRO A 30 -2.701 -1.052 -8.055 1.00 0.00 C ATOM 0 HA PRO A 30 -0.546 -3.283 -8.835 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.001 -0.783 -10.431 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.507 -2.415 -10.818 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.276 -0.525 -10.054 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.511 -2.217 -9.664 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.593 0.019 -7.886 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.573 -1.378 -7.488 1.00 0.00 H new ATOM 447 N LEU A 31 0.755 -0.290 -8.448 1.00 0.00 N ATOM 448 CA LEU A 31 2.023 0.435 -8.372 1.00 0.00 C ATOM 449 C LEU A 31 2.870 -0.051 -7.194 1.00 0.00 C ATOM 450 O LEU A 31 4.069 -0.338 -7.328 1.00 0.00 O ATOM 451 CB LEU A 31 1.749 1.931 -8.231 1.00 0.00 C ATOM 452 CG LEU A 31 0.693 2.485 -9.190 1.00 0.00 C ATOM 453 CD1 LEU A 31 0.298 3.901 -8.800 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.191 2.440 -10.626 1.00 0.00 C ATOM 0 H LEU A 31 -0.066 0.277 -8.235 1.00 0.00 H new ATOM 0 HA LEU A 31 2.581 0.247 -9.289 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.431 2.133 -7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.682 2.473 -8.388 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.193 1.854 -9.118 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.454 4.274 -9.496 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.112 3.899 -7.790 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.176 4.546 -8.834 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.424 2.839 -11.290 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.096 3.040 -10.716 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.410 1.409 -10.903 1.00 0.00 H new ATOM 466 N ILE A 32 2.234 -0.171 -6.040 1.00 0.00 N ATOM 467 CA ILE A 32 2.926 -0.638 -4.857 1.00 0.00 C ATOM 468 C ILE A 32 3.317 -2.093 -5.060 1.00 0.00 C ATOM 469 O ILE A 32 4.428 -2.491 -4.725 1.00 0.00 O ATOM 470 CB ILE A 32 2.063 -0.477 -3.592 1.00 0.00 C ATOM 471 CG1 ILE A 32 2.873 -0.791 -2.329 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.837 -1.356 -3.688 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.290 -2.231 -2.205 1.00 0.00 C ATOM 0 H ILE A 32 1.247 0.047 -5.901 1.00 0.00 H new ATOM 0 HA ILE A 32 3.820 -0.032 -4.709 1.00 0.00 H new ATOM 0 HB ILE A 32 1.739 0.561 -3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.765 -0.164 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.281 -0.519 -1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.232 -1.236 -2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.251 -1.069 -4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.143 -2.398 -3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.858 -2.367 -1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.404 -2.866 -2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.910 -2.505 -3.058 1.00 0.00 H new ATOM 485 N GLN A 33 2.415 -2.880 -5.652 1.00 0.00 N ATOM 486 CA GLN A 33 2.708 -4.280 -5.934 1.00 0.00 C ATOM 487 C GLN A 33 4.106 -4.390 -6.540 1.00 0.00 C ATOM 488 O GLN A 33 4.887 -5.278 -6.198 1.00 0.00 O ATOM 489 CB GLN A 33 1.684 -4.871 -6.910 1.00 0.00 C ATOM 490 CG GLN A 33 1.249 -6.284 -6.553 1.00 0.00 C ATOM 491 CD GLN A 33 1.360 -7.244 -7.723 1.00 0.00 C ATOM 492 OE1 GLN A 33 2.379 -7.286 -8.412 1.00 0.00 O ATOM 493 NE2 GLN A 33 0.308 -8.022 -7.953 1.00 0.00 N ATOM 0 H GLN A 33 1.486 -2.572 -5.941 1.00 0.00 H new ATOM 0 HA GLN A 33 2.657 -4.839 -5.000 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.806 -4.225 -6.938 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.110 -4.873 -7.913 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.860 -6.651 -5.728 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.218 -6.264 -6.201 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.517 -7.954 -7.357 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.325 -8.687 -8.726 1.00 0.00 H new ATOM 502 N ALA A 34 4.397 -3.463 -7.456 1.00 0.00 N ATOM 503 CA ALA A 34 5.683 -3.414 -8.143 1.00 0.00 C ATOM 504 C ALA A 34 6.839 -3.310 -7.164 1.00 0.00 C ATOM 505 O ALA A 34 7.908 -3.880 -7.382 1.00 0.00 O ATOM 506 CB ALA A 34 5.709 -2.245 -9.119 1.00 0.00 C ATOM 0 H ALA A 34 3.748 -2.729 -7.739 1.00 0.00 H new ATOM 0 HA ALA A 34 5.803 -4.346 -8.695 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.673 -2.217 -9.627 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.914 -2.368 -9.855 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.558 -1.313 -8.574 1.00 0.00 H new ATOM 512 N MET A 35 6.621 -2.569 -6.096 1.00 0.00 N ATOM 513 CA MET A 35 7.662 -2.375 -5.082 1.00 0.00 C ATOM 514 C MET A 35 7.471 -3.302 -3.880 1.00 0.00 C ATOM 515 O MET A 35 8.401 -4.003 -3.478 1.00 0.00 O ATOM 516 CB MET A 35 7.687 -0.920 -4.619 1.00 0.00 C ATOM 517 CG MET A 35 8.564 -0.032 -5.482 1.00 0.00 C ATOM 518 SD MET A 35 10.322 -0.254 -5.143 1.00 0.00 S ATOM 519 CE MET A 35 10.774 -1.434 -6.414 1.00 0.00 C ATOM 0 H MET A 35 5.742 -2.090 -5.900 1.00 0.00 H new ATOM 0 HA MET A 35 8.616 -2.625 -5.545 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.670 -0.527 -4.621 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.042 -0.879 -3.589 1.00 0.00 H new ATOM 0 HG2 MET A 35 8.370 -0.247 -6.533 1.00 0.00 H new ATOM 0 HG3 MET A 35 8.294 1.011 -5.315 1.00 0.00 H new ATOM 0 HE1 MET A 35 10.886 -2.423 -5.969 1.00 0.00 H new ATOM 0 HE2 MET A 35 9.995 -1.465 -7.176 1.00 0.00 H new ATOM 0 HE3 MET A 35 11.717 -1.133 -6.871 1.00 0.00 H new ATOM 529 N HIS A 36 6.268 -3.322 -3.324 1.00 0.00 N ATOM 530 CA HIS A 36 5.963 -4.187 -2.185 1.00 0.00 C ATOM 531 C HIS A 36 6.867 -3.917 -0.988 1.00 0.00 C ATOM 532 O HIS A 36 7.424 -4.845 -0.400 1.00 0.00 O ATOM 533 CB HIS A 36 6.088 -5.652 -2.581 1.00 0.00 C ATOM 534 CG HIS A 36 4.784 -6.267 -2.969 1.00 0.00 C ATOM 535 ND1 HIS A 36 3.550 -5.724 -3.049 1.00 0.00 N flip ATOM 536 CD2 HIS A 36 4.641 -7.592 -3.320 1.00 0.00 C flip ATOM 537 CE1 HIS A 36 2.691 -6.720 -3.441 1.00 0.00 C flip ATOM 538 NE2 HIS A 36 3.373 -7.838 -3.600 1.00 0.00 N flip ATOM 0 H HIS A 36 5.485 -2.750 -3.641 1.00 0.00 H new ATOM 0 HA HIS A 36 4.938 -3.963 -1.891 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.786 -5.739 -3.414 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.514 -6.212 -1.749 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.441 -8.317 -3.360 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.628 -6.607 -3.595 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.988 -8.737 -3.889 1.00 0.00 H new ATOM 546 N PRO A 37 7.012 -2.656 -0.586 1.00 0.00 N ATOM 547 CA PRO A 37 7.834 -2.317 0.564 1.00 0.00 C ATOM 548 C PRO A 37 7.219 -2.862 1.852 1.00 0.00 C ATOM 549 O PRO A 37 7.710 -3.835 2.423 1.00 0.00 O ATOM 550 CB PRO A 37 7.856 -0.785 0.562 1.00 0.00 C ATOM 551 CG PRO A 37 6.662 -0.370 -0.231 1.00 0.00 C ATOM 552 CD PRO A 37 6.375 -1.481 -1.196 1.00 0.00 C ATOM 0 HA PRO A 37 8.834 -2.747 0.511 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.809 -0.391 1.577 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.775 -0.406 0.115 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.807 -0.194 0.421 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.855 0.562 -0.761 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.303 -1.630 -1.325 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.789 -1.270 -2.182 1.00 0.00 H new ATOM 560 N THR A 38 6.158 -2.210 2.312 1.00 0.00 N ATOM 561 CA THR A 38 5.481 -2.597 3.545 1.00 0.00 C ATOM 562 C THR A 38 4.332 -3.559 3.265 1.00 0.00 C ATOM 563 O THR A 38 4.326 -4.691 3.748 1.00 0.00 O ATOM 564 CB THR A 38 4.958 -1.346 4.260 1.00 0.00 C ATOM 565 OG1 THR A 38 6.023 -0.473 4.587 1.00 0.00 O ATOM 566 CG2 THR A 38 4.196 -1.635 5.536 1.00 0.00 C ATOM 0 H THR A 38 5.744 -1.403 1.845 1.00 0.00 H new ATOM 0 HA THR A 38 6.199 -3.110 4.185 1.00 0.00 H new ATOM 0 HB THR A 38 4.268 -0.890 3.550 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.973 0.329 4.026 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.861 -0.698 5.980 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.332 -2.259 5.310 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.847 -2.156 6.238 1.00 0.00 H new ATOM 574 N LEU A 39 3.357 -3.100 2.489 1.00 0.00 N ATOM 575 CA LEU A 39 2.201 -3.921 2.155 1.00 0.00 C ATOM 576 C LEU A 39 1.356 -3.254 1.073 1.00 0.00 C ATOM 577 O LEU A 39 0.695 -2.252 1.327 1.00 0.00 O ATOM 578 CB LEU A 39 1.353 -4.158 3.408 1.00 0.00 C ATOM 579 CG LEU A 39 0.444 -5.388 3.368 1.00 0.00 C ATOM 580 CD1 LEU A 39 1.256 -6.651 3.126 1.00 0.00 C ATOM 581 CD2 LEU A 39 -0.342 -5.503 4.664 1.00 0.00 C ATOM 0 H LEU A 39 3.344 -2.166 2.080 1.00 0.00 H new ATOM 0 HA LEU A 39 2.556 -4.878 1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.021 -4.249 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.735 -3.277 3.578 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.257 -5.271 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.589 -7.513 3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.780 -6.570 2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.982 -6.776 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.985 -6.382 4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.349 -5.598 5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.955 -4.612 4.798 1.00 0.00 H new ATOM 593 N ALA A 40 1.373 -3.823 -0.128 1.00 0.00 N ATOM 594 CA ALA A 40 0.601 -3.297 -1.256 1.00 0.00 C ATOM 595 C ALA A 40 -0.850 -3.005 -0.887 1.00 0.00 C ATOM 596 O ALA A 40 -1.320 -1.880 -1.055 1.00 0.00 O ATOM 597 CB ALA A 40 0.691 -4.276 -2.419 1.00 0.00 C ATOM 0 H ALA A 40 1.918 -4.657 -0.349 1.00 0.00 H new ATOM 0 HA ALA A 40 1.032 -2.340 -1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.119 -3.892 -3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.734 -4.397 -2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.285 -5.241 -2.115 1.00 0.00 H new ATOM 603 N GLY A 41 -1.560 -4.009 -0.393 1.00 0.00 N ATOM 604 CA GLY A 41 -2.952 -3.812 -0.025 1.00 0.00 C ATOM 605 C GLY A 41 -3.157 -2.640 0.920 1.00 0.00 C ATOM 606 O GLY A 41 -3.997 -1.774 0.674 1.00 0.00 O ATOM 0 H GLY A 41 -1.202 -4.952 -0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.541 -3.651 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.330 -4.720 0.444 1.00 0.00 H new ATOM 610 N LYS A 42 -2.401 -2.627 2.012 1.00 0.00 N ATOM 611 CA LYS A 42 -2.520 -1.567 3.011 1.00 0.00 C ATOM 612 C LYS A 42 -1.936 -0.240 2.524 1.00 0.00 C ATOM 613 O LYS A 42 -2.497 0.821 2.804 1.00 0.00 O ATOM 614 CB LYS A 42 -1.864 -1.989 4.326 1.00 0.00 C ATOM 615 CG LYS A 42 -2.872 -2.401 5.389 1.00 0.00 C ATOM 616 CD LYS A 42 -3.092 -1.295 6.410 1.00 0.00 C ATOM 617 CE LYS A 42 -4.501 -1.334 6.984 1.00 0.00 C ATOM 618 NZ LYS A 42 -5.525 -0.919 5.984 1.00 0.00 N ATOM 0 H LYS A 42 -1.700 -3.336 2.229 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.585 -1.407 3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.185 -2.820 4.136 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.261 -1.164 4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.820 -2.653 4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.521 -3.300 5.895 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.367 -1.395 7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.916 -0.327 5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.723 -2.343 7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.556 -0.678 7.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.377 -1.504 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.770 0.081 6.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.144 -1.043 5.024 1.00 0.00 H new ATOM 632 N ILE A 43 -0.821 -0.283 1.794 1.00 0.00 N ATOM 633 CA ILE A 43 -0.211 0.942 1.289 1.00 0.00 C ATOM 634 C ILE A 43 -1.241 1.749 0.510 1.00 0.00 C ATOM 635 O ILE A 43 -1.335 2.970 0.642 1.00 0.00 O ATOM 636 CB ILE A 43 1.029 0.651 0.396 1.00 0.00 C ATOM 637 CG1 ILE A 43 2.287 1.283 1.001 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.827 1.147 -1.035 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.348 0.274 1.387 1.00 0.00 C ATOM 0 H ILE A 43 -0.329 -1.141 1.543 1.00 0.00 H new ATOM 0 HA ILE A 43 0.134 1.519 2.147 1.00 0.00 H new ATOM 0 HB ILE A 43 1.156 -0.431 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.710 1.986 0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.006 1.858 1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.715 0.925 -1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.036 0.647 -1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.657 2.224 -1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.209 0.794 1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.942 -0.415 2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.658 -0.284 0.504 1.00 0.00 H new ATOM 651 N THR A 44 -2.004 1.040 -0.302 1.00 0.00 N ATOM 652 CA THR A 44 -3.037 1.640 -1.129 1.00 0.00 C ATOM 653 C THR A 44 -3.988 2.508 -0.308 1.00 0.00 C ATOM 654 O THR A 44 -4.268 3.650 -0.668 1.00 0.00 O ATOM 655 CB THR A 44 -3.822 0.526 -1.826 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.957 -0.308 -2.577 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.903 1.021 -2.757 1.00 0.00 C ATOM 0 H THR A 44 -1.925 0.029 -0.407 1.00 0.00 H new ATOM 0 HA THR A 44 -2.558 2.286 -1.864 1.00 0.00 H new ATOM 0 HB THR A 44 -4.300 -0.022 -1.014 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.483 -0.917 -1.973 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.411 0.170 -3.210 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.623 1.616 -2.195 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.457 1.635 -3.539 1.00 0.00 H new ATOM 665 N GLY A 45 -4.486 1.958 0.793 1.00 0.00 N ATOM 666 CA GLY A 45 -5.412 2.692 1.637 1.00 0.00 C ATOM 667 C GLY A 45 -4.864 4.027 2.087 1.00 0.00 C ATOM 668 O GLY A 45 -5.612 4.989 2.261 1.00 0.00 O ATOM 0 H GLY A 45 -4.265 1.016 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.343 2.851 1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.653 2.090 2.513 1.00 0.00 H new ATOM 672 N MET A 46 -3.557 4.084 2.277 1.00 0.00 N ATOM 673 CA MET A 46 -2.905 5.304 2.715 1.00 0.00 C ATOM 674 C MET A 46 -2.780 6.297 1.562 1.00 0.00 C ATOM 675 O MET A 46 -3.214 7.444 1.680 1.00 0.00 O ATOM 676 CB MET A 46 -1.547 4.978 3.337 1.00 0.00 C ATOM 677 CG MET A 46 -1.663 4.425 4.755 1.00 0.00 C ATOM 678 SD MET A 46 -2.640 2.911 4.846 1.00 0.00 S ATOM 679 CE MET A 46 -3.789 3.327 6.157 1.00 0.00 C ATOM 0 H MET A 46 -2.925 3.296 2.134 1.00 0.00 H new ATOM 0 HA MET A 46 -3.518 5.779 3.481 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.030 4.252 2.710 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.934 5.879 3.352 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.664 4.230 5.145 1.00 0.00 H new ATOM 0 HG3 MET A 46 -2.114 5.181 5.398 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.688 2.609 6.971 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.571 4.329 6.527 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.808 3.296 5.771 1.00 0.00 H new ATOM 689 N LEU A 47 -2.185 5.869 0.447 1.00 0.00 N ATOM 690 CA LEU A 47 -2.023 6.761 -0.695 1.00 0.00 C ATOM 691 C LEU A 47 -3.381 7.278 -1.150 1.00 0.00 C ATOM 692 O LEU A 47 -3.463 8.320 -1.801 1.00 0.00 O ATOM 693 CB LEU A 47 -1.304 6.053 -1.855 1.00 0.00 C ATOM 694 CG LEU A 47 0.172 5.700 -1.635 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.069 6.593 -2.490 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.570 5.790 -0.168 1.00 0.00 C ATOM 0 H LEU A 47 -1.815 4.928 0.314 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.407 7.605 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.844 5.133 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.374 6.688 -2.738 1.00 0.00 H new ATOM 0 HG LEU A 47 0.307 4.663 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.113 6.329 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.825 6.452 -3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.910 7.636 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.623 5.532 -0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.407 6.806 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.035 5.097 0.416 1.00 0.00 H new ATOM 708 N LEU A 48 -4.447 6.536 -0.835 1.00 0.00 N ATOM 709 CA LEU A 48 -5.807 6.915 -1.240 1.00 0.00 C ATOM 710 C LEU A 48 -6.232 8.308 -0.744 1.00 0.00 C ATOM 711 O LEU A 48 -7.419 8.636 -0.766 1.00 0.00 O ATOM 712 CB LEU A 48 -6.808 5.857 -0.755 1.00 0.00 C ATOM 713 CG LEU A 48 -7.397 4.987 -1.866 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.382 3.960 -2.326 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.675 4.294 -1.418 1.00 0.00 C ATOM 0 H LEU A 48 -4.396 5.669 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.804 6.965 -2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.313 5.212 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.623 6.358 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.647 5.643 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.816 3.348 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.496 4.469 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.103 3.323 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.064 3.685 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.462 3.657 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.416 5.043 -1.139 1.00 0.00 H new ATOM 727 N GLU A 49 -5.275 9.131 -0.325 1.00 0.00 N ATOM 728 CA GLU A 49 -5.565 10.477 0.137 1.00 0.00 C ATOM 729 C GLU A 49 -5.884 11.389 -1.053 1.00 0.00 C ATOM 730 O GLU A 49 -6.337 12.521 -0.878 1.00 0.00 O ATOM 731 CB GLU A 49 -4.348 11.009 0.908 1.00 0.00 C ATOM 732 CG GLU A 49 -4.405 12.488 1.249 1.00 0.00 C ATOM 733 CD GLU A 49 -5.270 12.779 2.460 1.00 0.00 C ATOM 734 OE1 GLU A 49 -6.187 11.979 2.741 1.00 0.00 O ATOM 735 OE2 GLU A 49 -5.028 13.806 3.128 1.00 0.00 O ATOM 0 H GLU A 49 -4.286 8.883 -0.298 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.435 10.461 0.794 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.245 10.441 1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.451 10.821 0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.395 12.853 1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.791 13.039 0.392 1.00 0.00 H new ATOM 742 N ILE A 50 -5.627 10.892 -2.265 1.00 0.00 N ATOM 743 CA ILE A 50 -5.862 11.666 -3.479 1.00 0.00 C ATOM 744 C ILE A 50 -7.081 11.158 -4.273 1.00 0.00 C ATOM 745 O ILE A 50 -7.660 10.122 -3.948 1.00 0.00 O ATOM 746 CB ILE A 50 -4.590 11.673 -4.362 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.485 12.991 -5.129 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.542 10.479 -5.310 1.00 0.00 C ATOM 749 CD1 ILE A 50 -3.166 13.700 -4.922 1.00 0.00 C ATOM 0 H ILE A 50 -5.256 9.956 -2.429 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.091 12.688 -3.176 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.728 11.583 -3.701 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.622 12.796 -6.193 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.296 13.650 -4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.633 10.526 -5.909 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.548 9.555 -4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.411 10.501 -5.968 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.158 14.628 -5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.036 13.925 -3.863 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.351 13.059 -5.259 1.00 0.00 H new ATOM 761 N ASP A 51 -7.438 11.891 -5.333 1.00 0.00 N ATOM 762 CA ASP A 51 -8.552 11.528 -6.206 1.00 0.00 C ATOM 763 C ASP A 51 -8.190 10.355 -7.113 1.00 0.00 C ATOM 764 O ASP A 51 -7.063 10.276 -7.599 1.00 0.00 O ATOM 765 CB ASP A 51 -8.967 12.730 -7.055 1.00 0.00 C ATOM 766 CG ASP A 51 -10.198 13.424 -6.508 1.00 0.00 C ATOM 767 OD1 ASP A 51 -10.240 13.683 -5.287 1.00 0.00 O ATOM 768 OD2 ASP A 51 -11.121 13.708 -7.300 1.00 0.00 O ATOM 0 H ASP A 51 -6.962 12.750 -5.607 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.386 11.223 -5.574 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.142 13.441 -7.101 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.162 12.401 -8.076 1.00 0.00 H new ATOM 773 N ASN A 52 -9.151 9.463 -7.369 1.00 0.00 N ATOM 774 CA ASN A 52 -8.908 8.321 -8.254 1.00 0.00 C ATOM 775 C ASN A 52 -8.233 8.772 -9.551 1.00 0.00 C ATOM 776 O ASN A 52 -7.546 7.992 -10.206 1.00 0.00 O ATOM 777 CB ASN A 52 -10.218 7.597 -8.600 1.00 0.00 C ATOM 778 CG ASN A 52 -9.970 6.221 -9.210 1.00 0.00 C ATOM 779 OD1 ASN A 52 -11.037 5.443 -9.406 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -8.830 5.861 -9.504 1.00 0.00 N flip ATOM 0 H ASN A 52 -10.093 9.508 -6.981 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.251 7.635 -7.720 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.821 7.490 -7.699 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.794 8.204 -9.299 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.040 6.484 -9.339 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.676 4.939 -9.913 1.00 0.00 H new ATOM 787 N SER A 53 -8.462 10.030 -9.925 1.00 0.00 N ATOM 788 CA SER A 53 -7.915 10.583 -11.167 1.00 0.00 C ATOM 789 C SER A 53 -6.415 10.867 -11.093 1.00 0.00 C ATOM 790 O SER A 53 -5.726 10.831 -12.112 1.00 0.00 O ATOM 791 CB SER A 53 -8.664 11.864 -11.540 1.00 0.00 C ATOM 792 OG SER A 53 -9.372 11.702 -12.757 1.00 0.00 O ATOM 0 H SER A 53 -9.024 10.688 -9.385 1.00 0.00 H new ATOM 0 HA SER A 53 -8.055 9.822 -11.935 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.359 12.128 -10.743 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.957 12.689 -11.633 1.00 0.00 H new ATOM 0 HG SER A 53 -9.844 12.533 -12.974 1.00 0.00 H new ATOM 798 N GLU A 54 -5.913 11.159 -9.904 1.00 0.00 N ATOM 799 CA GLU A 54 -4.494 11.456 -9.739 1.00 0.00 C ATOM 800 C GLU A 54 -3.660 10.184 -9.804 1.00 0.00 C ATOM 801 O GLU A 54 -2.601 10.151 -10.432 1.00 0.00 O ATOM 802 CB GLU A 54 -4.259 12.164 -8.407 1.00 0.00 C ATOM 803 CG GLU A 54 -3.861 13.624 -8.550 1.00 0.00 C ATOM 804 CD GLU A 54 -2.407 13.879 -8.197 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.710 12.919 -7.805 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.965 15.041 -8.313 1.00 0.00 O ATOM 0 H GLU A 54 -6.459 11.197 -9.044 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.186 12.111 -10.554 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.167 12.102 -7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.479 11.636 -7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.042 13.946 -9.576 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.497 14.233 -7.908 1.00 0.00 H new ATOM 813 N LEU A 55 -4.144 9.142 -9.145 1.00 0.00 N ATOM 814 CA LEU A 55 -3.447 7.864 -9.116 1.00 0.00 C ATOM 815 C LEU A 55 -3.346 7.268 -10.515 1.00 0.00 C ATOM 816 O LEU A 55 -2.395 6.556 -10.828 1.00 0.00 O ATOM 817 CB LEU A 55 -4.143 6.905 -8.152 1.00 0.00 C ATOM 818 CG LEU A 55 -4.726 7.584 -6.912 1.00 0.00 C ATOM 819 CD1 LEU A 55 -6.218 7.767 -7.070 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.418 6.795 -5.654 1.00 0.00 C ATOM 0 H LEU A 55 -5.019 9.156 -8.622 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.431 8.029 -8.757 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.944 6.391 -8.683 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.430 6.143 -7.835 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.258 8.563 -6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.621 8.251 -6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.418 8.388 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.692 6.794 -7.200 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.846 7.305 -4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.848 5.797 -5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.338 6.716 -5.529 1.00 0.00 H new ATOM 832 N LEU A 56 -4.313 7.586 -11.369 1.00 0.00 N ATOM 833 CA LEU A 56 -4.284 7.099 -12.739 1.00 0.00 C ATOM 834 C LEU A 56 -3.124 7.751 -13.487 1.00 0.00 C ATOM 835 O LEU A 56 -2.402 7.093 -14.234 1.00 0.00 O ATOM 836 CB LEU A 56 -5.600 7.401 -13.452 1.00 0.00 C ATOM 837 CG LEU A 56 -6.853 6.884 -12.750 1.00 0.00 C ATOM 838 CD1 LEU A 56 -8.102 7.315 -13.501 1.00 0.00 C ATOM 839 CD2 LEU A 56 -6.808 5.370 -12.607 1.00 0.00 C ATOM 0 H LEU A 56 -5.116 8.171 -11.139 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.147 6.018 -12.722 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.690 8.481 -13.573 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.560 6.971 -14.453 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.886 7.317 -11.750 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.985 6.937 -12.986 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.144 8.403 -13.543 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.074 6.914 -14.514 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.711 5.025 -12.104 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.746 4.913 -13.595 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.935 5.086 -12.020 1.00 0.00 H new ATOM 851 N HIS A 57 -2.960 9.054 -13.272 1.00 0.00 N ATOM 852 CA HIS A 57 -1.895 9.815 -13.915 1.00 0.00 C ATOM 853 C HIS A 57 -0.519 9.268 -13.542 1.00 0.00 C ATOM 854 O HIS A 57 0.343 9.101 -14.405 1.00 0.00 O ATOM 855 CB HIS A 57 -1.983 11.292 -13.521 1.00 0.00 C ATOM 856 CG HIS A 57 -2.863 12.106 -14.419 1.00 0.00 C ATOM 857 ND1 HIS A 57 -2.807 12.038 -15.795 1.00 0.00 N ATOM 858 CD2 HIS A 57 -3.825 13.016 -14.130 1.00 0.00 C ATOM 859 CE1 HIS A 57 -3.693 12.870 -16.314 1.00 0.00 C ATOM 860 NE2 HIS A 57 -4.324 13.474 -15.325 1.00 0.00 N ATOM 0 H HIS A 57 -3.555 9.606 -12.654 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.025 9.718 -14.993 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.356 11.364 -12.499 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.980 11.720 -13.525 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.140 13.324 -13.144 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.870 13.028 -17.368 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.063 14.169 -15.431 1.00 0.00 H new ATOM 868 N MET A 58 -0.314 8.991 -12.256 1.00 0.00 N ATOM 869 CA MET A 58 0.967 8.469 -11.794 1.00 0.00 C ATOM 870 C MET A 58 1.226 7.077 -12.363 1.00 0.00 C ATOM 871 O MET A 58 2.344 6.757 -12.755 1.00 0.00 O ATOM 872 CB MET A 58 1.033 8.430 -10.262 1.00 0.00 C ATOM 873 CG MET A 58 -0.223 7.911 -9.591 1.00 0.00 C ATOM 874 SD MET A 58 0.058 7.430 -7.873 1.00 0.00 S ATOM 875 CE MET A 58 -1.005 8.583 -7.004 1.00 0.00 C ATOM 0 H MET A 58 -1.012 9.118 -11.523 1.00 0.00 H new ATOM 0 HA MET A 58 1.743 9.145 -12.154 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.874 7.804 -9.963 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.237 9.436 -9.894 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.995 8.680 -9.628 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.600 7.053 -10.148 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.633 8.727 -5.989 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.010 9.539 -7.527 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.019 8.185 -6.966 1.00 0.00 H new ATOM 885 N LEU A 59 0.190 6.250 -12.397 1.00 0.00 N ATOM 886 CA LEU A 59 0.327 4.888 -12.898 1.00 0.00 C ATOM 887 C LEU A 59 0.799 4.883 -14.351 1.00 0.00 C ATOM 888 O LEU A 59 1.425 3.924 -14.803 1.00 0.00 O ATOM 889 CB LEU A 59 -1.006 4.143 -12.765 1.00 0.00 C ATOM 890 CG LEU A 59 -1.137 2.873 -13.616 1.00 0.00 C ATOM 891 CD1 LEU A 59 -1.544 1.682 -12.757 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.134 3.092 -14.747 1.00 0.00 C ATOM 0 H LEU A 59 -0.750 6.496 -12.086 1.00 0.00 H new ATOM 0 HA LEU A 59 1.080 4.376 -12.299 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.150 3.875 -11.718 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.813 4.825 -13.034 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.164 2.652 -14.054 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.630 0.794 -13.383 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.789 1.512 -11.989 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.504 1.886 -12.283 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.216 2.182 -15.341 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.109 3.341 -14.329 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.791 3.910 -15.381 1.00 0.00 H new ATOM 904 N GLU A 60 0.520 5.960 -15.074 1.00 0.00 N ATOM 905 CA GLU A 60 0.943 6.065 -16.465 1.00 0.00 C ATOM 906 C GLU A 60 2.219 6.899 -16.588 1.00 0.00 C ATOM 907 O GLU A 60 2.725 7.115 -17.689 1.00 0.00 O ATOM 908 CB GLU A 60 -0.169 6.678 -17.316 1.00 0.00 C ATOM 909 CG GLU A 60 -1.522 6.015 -17.115 1.00 0.00 C ATOM 910 CD GLU A 60 -2.606 6.621 -17.985 1.00 0.00 C ATOM 911 OE1 GLU A 60 -2.304 7.572 -18.736 1.00 0.00 O ATOM 912 OE2 GLU A 60 -3.758 6.143 -17.916 1.00 0.00 O ATOM 0 H GLU A 60 0.006 6.768 -14.724 1.00 0.00 H new ATOM 0 HA GLU A 60 1.154 5.060 -16.830 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.254 7.739 -17.079 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.109 6.608 -18.368 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.437 4.951 -17.336 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.812 6.101 -16.068 1.00 0.00 H new ATOM 919 N SER A 61 2.736 7.365 -15.451 1.00 0.00 N ATOM 920 CA SER A 61 3.953 8.173 -15.435 1.00 0.00 C ATOM 921 C SER A 61 4.813 7.850 -14.211 1.00 0.00 C ATOM 922 O SER A 61 4.474 8.231 -13.091 1.00 0.00 O ATOM 923 CB SER A 61 3.598 9.662 -15.444 1.00 0.00 C ATOM 924 OG SER A 61 4.121 10.304 -16.594 1.00 0.00 O ATOM 0 H SER A 61 2.331 7.196 -14.530 1.00 0.00 H new ATOM 0 HA SER A 61 4.528 7.935 -16.330 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.515 9.781 -15.418 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.992 10.139 -14.547 1.00 0.00 H new ATOM 0 HG SER A 61 5.096 10.364 -16.520 1.00 0.00 H new ATOM 930 N PRO A 62 5.943 7.142 -14.406 1.00 0.00 N ATOM 931 CA PRO A 62 6.845 6.776 -13.306 1.00 0.00 C ATOM 932 C PRO A 62 7.225 7.972 -12.433 1.00 0.00 C ATOM 933 O PRO A 62 7.419 7.835 -11.226 1.00 0.00 O ATOM 934 CB PRO A 62 8.080 6.235 -14.028 1.00 0.00 C ATOM 935 CG PRO A 62 7.564 5.730 -15.329 1.00 0.00 C ATOM 936 CD PRO A 62 6.430 6.643 -15.707 1.00 0.00 C ATOM 0 HA PRO A 62 6.381 6.064 -12.623 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.827 7.015 -14.174 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.557 5.440 -13.455 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.345 5.742 -16.090 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.222 4.699 -15.239 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.767 7.457 -16.349 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.650 6.110 -16.251 1.00 0.00 H new ATOM 944 N GLU A 63 7.341 9.140 -13.058 1.00 0.00 N ATOM 945 CA GLU A 63 7.712 10.365 -12.348 1.00 0.00 C ATOM 946 C GLU A 63 6.814 10.614 -11.135 1.00 0.00 C ATOM 947 O GLU A 63 7.294 10.715 -10.006 1.00 0.00 O ATOM 948 CB GLU A 63 7.650 11.566 -13.296 1.00 0.00 C ATOM 949 CG GLU A 63 6.408 11.597 -14.175 1.00 0.00 C ATOM 950 CD GLU A 63 6.722 11.937 -15.619 1.00 0.00 C ATOM 951 OE1 GLU A 63 6.798 13.141 -15.942 1.00 0.00 O ATOM 952 OE2 GLU A 63 6.890 10.999 -16.427 1.00 0.00 O ATOM 0 H GLU A 63 7.183 9.266 -14.058 1.00 0.00 H new ATOM 0 HA GLU A 63 8.733 10.237 -11.988 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.689 12.483 -12.708 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.534 11.559 -13.934 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.914 10.626 -14.134 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.705 12.329 -13.778 1.00 0.00 H new ATOM 959 N SER A 64 5.513 10.714 -11.377 1.00 0.00 N ATOM 960 CA SER A 64 4.542 10.953 -10.315 1.00 0.00 C ATOM 961 C SER A 64 4.252 9.658 -9.582 1.00 0.00 C ATOM 962 O SER A 64 3.886 9.651 -8.407 1.00 0.00 O ATOM 963 CB SER A 64 3.250 11.513 -10.908 1.00 0.00 C ATOM 964 OG SER A 64 2.720 12.549 -10.100 1.00 0.00 O ATOM 0 H SER A 64 5.103 10.633 -12.307 1.00 0.00 H new ATOM 0 HA SER A 64 4.954 11.677 -9.612 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.443 11.894 -11.911 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.516 10.713 -11.006 1.00 0.00 H new ATOM 0 HG SER A 64 1.895 12.890 -10.504 1.00 0.00 H new ATOM 970 N LEU A 65 4.414 8.565 -10.307 1.00 0.00 N ATOM 971 CA LEU A 65 4.173 7.242 -9.776 1.00 0.00 C ATOM 972 C LEU A 65 5.018 7.002 -8.543 1.00 0.00 C ATOM 973 O LEU A 65 4.494 6.836 -7.443 1.00 0.00 O ATOM 974 CB LEU A 65 4.509 6.204 -10.847 1.00 0.00 C ATOM 975 CG LEU A 65 4.441 4.735 -10.420 1.00 0.00 C ATOM 976 CD1 LEU A 65 5.833 4.205 -10.100 1.00 0.00 C ATOM 977 CD2 LEU A 65 3.514 4.549 -9.231 1.00 0.00 C ATOM 0 H LEU A 65 4.717 8.574 -11.281 1.00 0.00 H new ATOM 0 HA LEU A 65 3.124 7.156 -9.495 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.828 6.347 -11.686 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.515 6.406 -11.214 1.00 0.00 H new ATOM 0 HG LEU A 65 4.034 4.164 -11.254 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.764 3.160 -9.799 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.466 4.287 -10.984 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.267 4.789 -9.288 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.487 3.496 -8.952 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.879 5.138 -8.390 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.510 4.880 -9.497 1.00 0.00 H new ATOM 989 N ARG A 66 6.324 6.980 -8.727 1.00 0.00 N ATOM 990 CA ARG A 66 7.226 6.751 -7.611 1.00 0.00 C ATOM 991 C ARG A 66 7.112 7.863 -6.576 1.00 0.00 C ATOM 992 O ARG A 66 7.293 7.634 -5.385 1.00 0.00 O ATOM 993 CB ARG A 66 8.669 6.629 -8.103 1.00 0.00 C ATOM 994 CG ARG A 66 9.126 5.190 -8.278 1.00 0.00 C ATOM 995 CD ARG A 66 10.541 5.113 -8.827 1.00 0.00 C ATOM 996 NE ARG A 66 10.567 4.629 -10.207 1.00 0.00 N ATOM 997 CZ ARG A 66 10.747 5.410 -11.271 1.00 0.00 C ATOM 998 NH1 ARG A 66 10.910 6.721 -11.131 1.00 0.00 N ATOM 999 NH2 ARG A 66 10.762 4.878 -12.485 1.00 0.00 N ATOM 0 H ARG A 66 6.782 7.116 -9.628 1.00 0.00 H new ATOM 0 HA ARG A 66 6.938 5.814 -7.135 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.766 7.152 -9.054 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.330 7.129 -7.395 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.079 4.674 -7.319 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.445 4.671 -8.953 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.002 6.099 -8.780 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.138 4.451 -8.199 1.00 0.00 H new ATOM 0 HE ARG A 66 10.439 3.629 -10.365 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.898 7.140 -10.201 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.047 7.309 -11.953 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.636 3.873 -12.603 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.900 5.474 -13.301 1.00 0.00 H new ATOM 1013 N SER A 67 6.800 9.065 -7.036 1.00 0.00 N ATOM 1014 CA SER A 67 6.660 10.216 -6.150 1.00 0.00 C ATOM 1015 C SER A 67 5.712 9.930 -4.988 1.00 0.00 C ATOM 1016 O SER A 67 6.022 10.219 -3.831 1.00 0.00 O ATOM 1017 CB SER A 67 6.140 11.412 -6.945 1.00 0.00 C ATOM 1018 OG SER A 67 6.718 12.623 -6.490 1.00 0.00 O ATOM 0 H SER A 67 6.638 9.272 -8.022 1.00 0.00 H new ATOM 0 HA SER A 67 7.643 10.435 -5.734 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.365 11.274 -8.003 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.055 11.468 -6.854 1.00 0.00 H new ATOM 0 HG SER A 67 6.368 13.371 -7.018 1.00 0.00 H new ATOM 1024 N LYS A 68 4.547 9.384 -5.308 1.00 0.00 N ATOM 1025 CA LYS A 68 3.534 9.085 -4.300 1.00 0.00 C ATOM 1026 C LYS A 68 3.837 7.773 -3.581 1.00 0.00 C ATOM 1027 O LYS A 68 3.864 7.723 -2.351 1.00 0.00 O ATOM 1028 CB LYS A 68 2.142 9.039 -4.944 1.00 0.00 C ATOM 1029 CG LYS A 68 1.995 9.942 -6.168 1.00 0.00 C ATOM 1030 CD LYS A 68 1.052 11.106 -5.907 1.00 0.00 C ATOM 1031 CE LYS A 68 1.018 12.062 -7.090 1.00 0.00 C ATOM 1032 NZ LYS A 68 0.768 13.470 -6.670 1.00 0.00 N ATOM 0 H LYS A 68 4.277 9.138 -6.260 1.00 0.00 H new ATOM 0 HA LYS A 68 3.551 9.882 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.921 8.012 -5.234 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.399 9.328 -4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.974 10.326 -6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.623 9.356 -7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.048 10.728 -5.713 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.370 11.641 -5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.965 12.008 -7.626 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.240 11.749 -7.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.456 14.098 -7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.195 13.749 -6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.868 13.547 -5.638 1.00 0.00 H new ATOM 1046 N VAL A 69 4.082 6.719 -4.349 1.00 0.00 N ATOM 1047 CA VAL A 69 4.406 5.413 -3.782 1.00 0.00 C ATOM 1048 C VAL A 69 5.620 5.499 -2.869 1.00 0.00 C ATOM 1049 O VAL A 69 5.577 5.046 -1.725 1.00 0.00 O ATOM 1050 CB VAL A 69 4.696 4.378 -4.881 1.00 0.00 C ATOM 1051 CG1 VAL A 69 4.927 3.005 -4.267 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.564 4.341 -5.896 1.00 0.00 C ATOM 0 H VAL A 69 4.063 6.742 -5.369 1.00 0.00 H new ATOM 0 HA VAL A 69 3.535 5.097 -3.209 1.00 0.00 H new ATOM 0 HB VAL A 69 5.605 4.673 -5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.131 2.283 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.778 3.049 -3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.038 2.698 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.789 3.602 -6.665 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.634 4.071 -5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.456 5.323 -6.357 1.00 0.00 H new ATOM 1062 N ASP A 70 6.706 6.083 -3.375 1.00 0.00 N ATOM 1063 CA ASP A 70 7.926 6.222 -2.582 1.00 0.00 C ATOM 1064 C ASP A 70 7.581 6.793 -1.220 1.00 0.00 C ATOM 1065 O ASP A 70 7.870 6.192 -0.187 1.00 0.00 O ATOM 1066 CB ASP A 70 8.947 7.125 -3.282 1.00 0.00 C ATOM 1067 CG ASP A 70 10.363 6.590 -3.185 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.563 5.549 -2.524 1.00 0.00 O ATOM 1069 OD2 ASP A 70 11.271 7.211 -3.775 1.00 0.00 O ATOM 0 H ASP A 70 6.766 6.463 -4.320 1.00 0.00 H new ATOM 0 HA ASP A 70 8.375 5.235 -2.467 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.674 7.230 -4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.908 8.121 -2.841 1.00 0.00 H new ATOM 1074 N GLU A 71 6.942 7.954 -1.231 1.00 0.00 N ATOM 1075 CA GLU A 71 6.532 8.609 -0.002 1.00 0.00 C ATOM 1076 C GLU A 71 5.824 7.614 0.905 1.00 0.00 C ATOM 1077 O GLU A 71 6.132 7.518 2.093 1.00 0.00 O ATOM 1078 CB GLU A 71 5.636 9.798 -0.336 1.00 0.00 C ATOM 1079 CG GLU A 71 6.411 10.966 -0.921 1.00 0.00 C ATOM 1080 CD GLU A 71 7.464 11.510 0.025 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.495 10.833 0.223 1.00 0.00 O ATOM 1082 OE2 GLU A 71 7.258 12.616 0.568 1.00 0.00 O ATOM 0 H GLU A 71 6.697 8.461 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 71 7.407 8.980 0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.870 9.483 -1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.120 10.125 0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.891 10.649 -1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.715 11.764 -1.179 1.00 0.00 H new ATOM 1089 N ALA A 72 4.892 6.861 0.331 1.00 0.00 N ATOM 1090 CA ALA A 72 4.150 5.851 1.075 1.00 0.00 C ATOM 1091 C ALA A 72 5.078 5.022 1.951 1.00 0.00 C ATOM 1092 O ALA A 72 4.834 4.843 3.142 1.00 0.00 O ATOM 1093 CB ALA A 72 3.415 4.931 0.112 1.00 0.00 C ATOM 0 H ALA A 72 4.632 6.932 -0.653 1.00 0.00 H new ATOM 0 HA ALA A 72 3.433 6.366 1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.863 4.179 0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.719 5.515 -0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.135 4.438 -0.541 1.00 0.00 H new ATOM 1099 N VAL A 73 6.136 4.507 1.341 1.00 0.00 N ATOM 1100 CA VAL A 73 7.092 3.677 2.060 1.00 0.00 C ATOM 1101 C VAL A 73 7.637 4.382 3.299 1.00 0.00 C ATOM 1102 O VAL A 73 7.799 3.762 4.346 1.00 0.00 O ATOM 1103 CB VAL A 73 8.265 3.204 1.157 1.00 0.00 C ATOM 1104 CG1 VAL A 73 7.760 2.770 -0.212 1.00 0.00 C ATOM 1105 CG2 VAL A 73 9.345 4.273 1.011 1.00 0.00 C ATOM 0 H VAL A 73 6.354 4.648 0.355 1.00 0.00 H new ATOM 0 HA VAL A 73 6.539 2.794 2.379 1.00 0.00 H new ATOM 0 HB VAL A 73 8.718 2.345 1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.601 2.444 -0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.055 1.947 -0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.261 3.608 -0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.144 3.898 0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.913 5.168 0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.750 4.517 1.993 1.00 0.00 H new ATOM 1115 N ALA A 74 7.919 5.674 3.177 1.00 0.00 N ATOM 1116 CA ALA A 74 8.443 6.445 4.292 1.00 0.00 C ATOM 1117 C ALA A 74 7.357 6.733 5.323 1.00 0.00 C ATOM 1118 O ALA A 74 7.484 6.378 6.495 1.00 0.00 O ATOM 1119 CB ALA A 74 9.066 7.740 3.791 1.00 0.00 C ATOM 0 H ALA A 74 7.793 6.207 2.317 1.00 0.00 H new ATOM 0 HA ALA A 74 9.216 5.852 4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.454 8.308 4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.880 7.510 3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.310 8.331 3.274 1.00 0.00 H new ATOM 1125 N VAL A 75 6.293 7.389 4.875 1.00 0.00 N ATOM 1126 CA VAL A 75 5.179 7.743 5.749 1.00 0.00 C ATOM 1127 C VAL A 75 4.586 6.523 6.438 1.00 0.00 C ATOM 1128 O VAL A 75 4.629 6.398 7.662 1.00 0.00 O ATOM 1129 CB VAL A 75 4.064 8.471 4.959 1.00 0.00 C ATOM 1130 CG1 VAL A 75 3.756 7.791 3.634 1.00 0.00 C ATOM 1131 CG2 VAL A 75 2.797 8.649 5.796 1.00 0.00 C ATOM 0 H VAL A 75 6.177 7.688 3.907 1.00 0.00 H new ATOM 0 HA VAL A 75 5.582 8.410 6.511 1.00 0.00 H new ATOM 0 HB VAL A 75 4.450 9.464 4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.968 8.339 3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.653 7.777 3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.426 6.769 3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.040 9.164 5.205 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.420 7.672 6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.027 9.238 6.684 1.00 0.00 H new ATOM 1141 N LEU A 76 4.006 5.650 5.639 1.00 0.00 N ATOM 1142 CA LEU A 76 3.357 4.445 6.150 1.00 0.00 C ATOM 1143 C LEU A 76 4.262 3.675 7.095 1.00 0.00 C ATOM 1144 O LEU A 76 3.831 3.248 8.165 1.00 0.00 O ATOM 1145 CB LEU A 76 2.920 3.542 5.002 1.00 0.00 C ATOM 1146 CG LEU A 76 1.572 3.908 4.396 1.00 0.00 C ATOM 1147 CD1 LEU A 76 1.750 4.775 3.161 1.00 0.00 C ATOM 1148 CD2 LEU A 76 0.780 2.658 4.062 1.00 0.00 C ATOM 0 H LEU A 76 3.968 5.748 4.624 1.00 0.00 H new ATOM 0 HA LEU A 76 2.478 4.765 6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.678 3.576 4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.877 2.513 5.360 1.00 0.00 H new ATOM 0 HG LEU A 76 1.013 4.482 5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.773 5.023 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.272 5.692 3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.333 4.233 2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.180 2.940 3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.337 2.055 3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.613 2.079 4.971 1.00 0.00 H new ATOM 1160 N GLN A 77 5.516 3.501 6.707 1.00 0.00 N ATOM 1161 CA GLN A 77 6.447 2.783 7.561 1.00 0.00 C ATOM 1162 C GLN A 77 6.472 3.439 8.940 1.00 0.00 C ATOM 1163 O GLN A 77 6.590 2.766 9.965 1.00 0.00 O ATOM 1164 CB GLN A 77 7.856 2.753 6.967 1.00 0.00 C ATOM 1165 CG GLN A 77 8.109 1.551 6.070 1.00 0.00 C ATOM 1166 CD GLN A 77 8.661 0.356 6.829 1.00 0.00 C ATOM 1167 OE1 GLN A 77 7.977 -0.043 7.896 1.00 0.00 O flip ATOM 1168 NE2 GLN A 77 9.692 -0.205 6.457 1.00 0.00 N flip ATOM 0 H GLN A 77 5.906 3.839 5.827 1.00 0.00 H new ATOM 0 HA GLN A 77 6.108 1.750 7.645 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.020 3.665 6.394 1.00 0.00 H new ATOM 0 HB3 GLN A 77 8.584 2.751 7.778 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.178 1.266 5.581 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.810 1.831 5.283 1.00 0.00 H new ATOM 0 HE21 GLN A 77 10.187 0.133 5.632 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.051 -1.008 6.974 1.00 0.00 H new ATOM 1177 N ALA A 78 6.341 4.766 8.946 1.00 0.00 N ATOM 1178 CA ALA A 78 6.326 5.543 10.181 1.00 0.00 C ATOM 1179 C ALA A 78 4.943 5.520 10.829 1.00 0.00 C ATOM 1180 O ALA A 78 4.769 4.996 11.929 1.00 0.00 O ATOM 1181 CB ALA A 78 6.757 6.977 9.907 1.00 0.00 C ATOM 0 H ALA A 78 6.243 5.327 8.100 1.00 0.00 H new ATOM 0 HA ALA A 78 7.032 5.088 10.876 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.741 7.546 10.837 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.767 6.981 9.496 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.072 7.432 9.192 1.00 0.00 H new ATOM 1187 N HIS A 79 3.961 6.101 10.139 1.00 0.00 N ATOM 1188 CA HIS A 79 2.591 6.156 10.645 1.00 0.00 C ATOM 1189 C HIS A 79 1.969 4.763 10.688 1.00 0.00 C ATOM 1190 O HIS A 79 1.561 4.288 11.748 1.00 0.00 O ATOM 1191 CB HIS A 79 1.738 7.090 9.778 1.00 0.00 C ATOM 1192 CG HIS A 79 1.712 8.503 10.274 1.00 0.00 C ATOM 1193 ND1 HIS A 79 1.056 8.887 11.424 1.00 0.00 N ATOM 1194 CD2 HIS A 79 2.270 9.630 9.770 1.00 0.00 C ATOM 1195 CE1 HIS A 79 1.208 10.186 11.607 1.00 0.00 C ATOM 1196 NE2 HIS A 79 1.941 10.660 10.617 1.00 0.00 N ATOM 0 H HIS A 79 4.090 6.540 9.228 1.00 0.00 H new ATOM 0 HA HIS A 79 2.621 6.549 11.661 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.122 7.078 8.758 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.718 6.707 9.740 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.863 9.705 8.870 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.802 10.762 12.426 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.219 11.634 10.500 1.00 0.00 H new ATOM 1536 N LYS B 5 5.165 12.915 4.354 1.00 0.00 N ATOM 1537 CA LYS B 5 5.343 12.576 2.948 1.00 0.00 C ATOM 1538 C LYS B 5 4.173 13.073 2.099 1.00 0.00 C ATOM 1539 O LYS B 5 3.243 13.700 2.606 1.00 0.00 O ATOM 1540 CB LYS B 5 5.513 11.069 2.790 1.00 0.00 C ATOM 1541 CG LYS B 5 6.325 10.433 3.901 1.00 0.00 C ATOM 1542 CD LYS B 5 7.766 10.911 3.899 1.00 0.00 C ATOM 1543 CE LYS B 5 8.349 10.905 5.303 1.00 0.00 C ATOM 1544 NZ LYS B 5 9.786 11.292 5.314 1.00 0.00 N ATOM 0 HA LYS B 5 6.244 13.076 2.593 1.00 0.00 H new ATOM 0 HB2 LYS B 5 4.529 10.602 2.757 1.00 0.00 H new ATOM 0 HB3 LYS B 5 5.996 10.864 1.835 1.00 0.00 H new ATOM 0 HG2 LYS B 5 5.868 10.665 4.863 1.00 0.00 H new ATOM 0 HG3 LYS B 5 6.303 9.349 3.791 1.00 0.00 H new ATOM 0 HD2 LYS B 5 8.364 10.270 3.251 1.00 0.00 H new ATOM 0 HD3 LYS B 5 7.817 11.918 3.485 1.00 0.00 H new ATOM 0 HE2 LYS B 5 7.784 11.592 5.933 1.00 0.00 H new ATOM 0 HE3 LYS B 5 8.238 9.911 5.737 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 10.143 11.275 6.291 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 10.330 10.622 4.735 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 9.890 12.251 4.924 1.00 0.00 H new ATOM 1558 N LEU B 6 4.235 12.790 0.800 1.00 0.00 N ATOM 1559 CA LEU B 6 3.187 13.209 -0.134 1.00 0.00 C ATOM 1560 C LEU B 6 1.899 12.434 0.108 1.00 0.00 C ATOM 1561 O LEU B 6 0.805 12.994 0.047 1.00 0.00 O ATOM 1562 CB LEU B 6 3.633 13.004 -1.588 1.00 0.00 C ATOM 1563 CG LEU B 6 4.650 14.021 -2.118 1.00 0.00 C ATOM 1564 CD1 LEU B 6 5.786 13.316 -2.845 1.00 0.00 C ATOM 1565 CD2 LEU B 6 3.970 15.023 -3.042 1.00 0.00 C ATOM 0 H LEU B 6 5.000 12.272 0.368 1.00 0.00 H new ATOM 0 HA LEU B 6 3.004 14.270 0.038 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.062 12.006 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.751 13.032 -2.227 1.00 0.00 H new ATOM 0 HG LEU B 6 5.068 14.561 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.497 14.056 -3.213 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.292 12.637 -2.158 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.384 12.749 -3.685 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.707 15.738 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.524 14.496 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.192 15.554 -2.494 1.00 0.00 H new ATOM 1577 N SER B 7 2.037 11.141 0.377 1.00 0.00 N ATOM 1578 CA SER B 7 0.886 10.287 0.623 1.00 0.00 C ATOM 1579 C SER B 7 0.827 9.860 2.083 1.00 0.00 C ATOM 1580 O SER B 7 1.267 8.766 2.437 1.00 0.00 O ATOM 1581 CB SER B 7 0.951 9.053 -0.270 1.00 0.00 C ATOM 1582 OG SER B 7 2.236 8.457 -0.224 1.00 0.00 O ATOM 0 H SER B 7 2.936 10.663 0.430 1.00 0.00 H new ATOM 0 HA SER B 7 -0.014 10.856 0.392 1.00 0.00 H new ATOM 0 HB2 SER B 7 0.200 8.330 0.048 1.00 0.00 H new ATOM 0 HB3 SER B 7 0.712 9.330 -1.297 1.00 0.00 H new ATOM 0 HG SER B 7 2.590 8.371 -1.134 1.00 0.00 H new ATOM 1588 N VAL B 8 0.276 10.724 2.928 1.00 0.00 N ATOM 1589 CA VAL B 8 0.157 10.426 4.349 1.00 0.00 C ATOM 1590 C VAL B 8 -0.560 9.099 4.568 1.00 0.00 C ATOM 1591 O VAL B 8 -0.990 8.451 3.614 1.00 0.00 O ATOM 1592 CB VAL B 8 -0.601 11.539 5.094 1.00 0.00 C ATOM 1593 CG1 VAL B 8 0.194 12.835 5.064 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.983 11.736 4.492 1.00 0.00 C ATOM 0 H VAL B 8 -0.094 11.634 2.654 1.00 0.00 H new ATOM 0 HA VAL B 8 1.169 10.360 4.748 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.724 11.240 6.135 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.356 13.612 5.595 1.00 0.00 H new ATOM 0 HG12 VAL B 8 1.160 12.681 5.545 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.349 13.143 4.030 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -2.505 12.527 5.031 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.886 12.015 3.443 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -2.550 10.808 4.570 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.678 8.695 5.826 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.335 7.439 6.165 1.00 0.00 C ATOM 1606 C ASN B 9 -2.859 7.581 6.171 1.00 0.00 C ATOM 1607 O ASN B 9 -3.512 7.261 7.164 1.00 0.00 O ATOM 1608 CB ASN B 9 -0.852 6.952 7.532 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.140 7.953 8.634 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -0.815 9.134 8.517 1.00 0.00 O ATOM 1611 ND2 ASN B 9 -1.754 7.483 9.714 1.00 0.00 N ATOM 0 H ASN B 9 -0.328 9.218 6.628 1.00 0.00 H new ATOM 0 HA ASN B 9 -1.072 6.708 5.401 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -1.336 6.004 7.769 1.00 0.00 H new ATOM 0 HB3 ASN B 9 0.220 6.761 7.489 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -1.974 8.109 10.489 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -2.005 6.496 9.769 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.424 8.072 5.067 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.869 8.263 4.958 1.00 0.00 C ATOM 1620 C ALA B 10 -5.640 6.997 5.352 1.00 0.00 C ATOM 1621 O ALA B 10 -5.035 5.988 5.712 1.00 0.00 O ATOM 1622 CB ALA B 10 -5.206 8.687 3.539 1.00 0.00 C ATOM 0 H ALA B 10 -2.901 8.345 4.235 1.00 0.00 H new ATOM 0 HA ALA B 10 -5.174 9.045 5.654 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -6.283 8.832 3.448 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.693 9.621 3.307 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.884 7.913 2.842 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.991 7.039 5.305 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.838 5.892 5.670 1.00 0.00 C ATOM 1630 C PRO B 11 -7.424 4.599 4.970 1.00 0.00 C ATOM 1631 O PRO B 11 -6.288 4.460 4.521 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.232 6.330 5.218 1.00 0.00 C ATOM 1633 CG PRO B 11 -9.196 7.813 5.315 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.804 8.208 4.909 1.00 0.00 C ATOM 0 HA PRO B 11 -7.769 5.659 6.733 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.442 6.002 4.200 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -10.009 5.908 5.856 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.940 8.267 4.660 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.418 8.146 6.329 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.737 8.401 3.838 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.479 9.115 5.418 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.360 3.662 4.850 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.104 2.396 4.172 1.00 0.00 C ATOM 1644 C GLU B 12 -8.252 2.544 2.656 1.00 0.00 C ATOM 1645 O GLU B 12 -8.497 3.637 2.147 1.00 0.00 O ATOM 1646 CB GLU B 12 -9.073 1.327 4.691 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.532 -0.091 4.603 1.00 0.00 C ATOM 1648 CD GLU B 12 -8.927 -0.942 5.793 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -9.966 -0.642 6.418 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -8.199 -1.909 6.098 1.00 0.00 O ATOM 0 H GLU B 12 -9.307 3.757 5.216 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.079 2.093 4.384 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.319 1.548 5.730 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -10.002 1.387 4.124 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -8.898 -0.559 3.689 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -7.445 -0.057 4.531 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.122 1.424 1.950 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.264 1.418 0.498 1.00 0.00 C ATOM 1659 C PHE B 13 -9.628 0.852 0.118 1.00 0.00 C ATOM 1660 O PHE B 13 -9.920 -0.322 0.349 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.138 0.624 -0.171 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.240 -0.865 -0.018 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -6.910 -1.483 1.178 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.649 -1.648 -1.081 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -6.988 -2.857 1.305 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.730 -3.018 -0.956 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.400 -3.622 0.232 1.00 0.00 C ATOM 0 H PHE B 13 -7.919 0.512 2.359 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.192 2.445 0.139 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.124 0.866 -1.234 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.185 0.953 0.243 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.589 -0.885 2.018 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.908 -1.181 -2.020 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.728 -3.331 2.240 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -8.054 -3.618 -1.794 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.463 -4.696 0.327 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.450 1.707 -0.483 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.784 1.335 -0.929 1.00 0.00 C ATOM 1679 C TYR B 14 -11.916 1.486 -2.447 1.00 0.00 C ATOM 1680 O TYR B 14 -10.986 1.951 -3.108 1.00 0.00 O ATOM 1681 CB TYR B 14 -12.821 2.185 -0.198 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.502 1.436 0.923 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -12.756 0.707 1.841 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -14.884 1.448 1.062 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -13.367 0.012 2.866 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -15.503 0.754 2.085 1.00 0.00 C ATOM 1687 CZ TYR B 14 -14.740 0.038 2.984 1.00 0.00 C ATOM 1688 OH TYR B 14 -15.352 -0.655 4.003 1.00 0.00 O ATOM 0 H TYR B 14 -10.207 2.679 -0.674 1.00 0.00 H new ATOM 0 HA TYR B 14 -11.959 0.286 -0.691 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.337 3.074 0.206 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.572 2.527 -0.910 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -11.680 0.684 1.751 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -15.484 2.008 0.360 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -12.772 -0.549 3.572 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -16.579 0.772 2.180 1.00 0.00 H new ATOM 0 HH TYR B 14 -16.323 -0.532 3.945 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.072 1.105 -3.028 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.298 1.219 -4.476 1.00 0.00 C ATOM 1700 C PRO B 15 -13.311 2.669 -4.961 1.00 0.00 C ATOM 1701 O PRO B 15 -14.347 3.343 -4.942 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.668 0.584 -4.688 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.337 0.639 -3.359 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.243 0.535 -2.334 1.00 0.00 C ATOM 0 HA PRO B 15 -12.498 0.737 -5.038 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.241 1.127 -5.439 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.575 -0.444 -5.039 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -15.893 1.569 -3.241 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.052 -0.176 -3.249 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.485 1.093 -1.429 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.069 -0.499 -2.035 1.00 0.00 H new ATOM 1712 N SER B 16 -12.157 3.135 -5.417 1.00 0.00 N ATOM 1713 CA SER B 16 -12.018 4.494 -5.919 1.00 0.00 C ATOM 1714 C SER B 16 -13.060 4.788 -6.987 1.00 0.00 C ATOM 1715 O SER B 16 -13.889 5.686 -6.835 1.00 0.00 O ATOM 1716 CB SER B 16 -10.619 4.682 -6.492 1.00 0.00 C ATOM 1717 OG SER B 16 -10.168 6.016 -6.334 1.00 0.00 O ATOM 0 H SER B 16 -11.297 2.587 -5.449 1.00 0.00 H new ATOM 0 HA SER B 16 -12.173 5.189 -5.093 1.00 0.00 H new ATOM 0 HB2 SER B 16 -9.927 4.002 -5.996 1.00 0.00 H new ATOM 0 HB3 SER B 16 -10.620 4.420 -7.550 1.00 0.00 H new ATOM 0 HG SER B 16 -10.046 6.209 -5.381 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.014 4.016 -8.062 1.00 0.00 N ATOM 1724 CA GLY B 17 -13.961 4.195 -9.140 1.00 0.00 C ATOM 1725 C GLY B 17 -15.263 3.473 -8.873 1.00 0.00 C ATOM 1726 O GLY B 17 -15.701 2.652 -9.679 1.00 0.00 O ATOM 0 H GLY B 17 -12.336 3.268 -8.206 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.157 5.258 -9.278 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.526 3.828 -10.070 1.00 0.00 H new ATOM 1730 N TYR B 18 -15.890 3.784 -7.742 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.157 3.166 -7.379 1.00 0.00 C ATOM 1732 C TYR B 18 -18.292 3.692 -8.257 1.00 0.00 C ATOM 1733 O TYR B 18 -19.233 4.315 -7.765 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.467 3.441 -5.909 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.174 2.301 -5.219 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.643 1.020 -5.242 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.369 2.507 -4.543 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.283 -0.029 -4.609 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.015 1.465 -3.905 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.468 0.200 -3.941 1.00 0.00 C ATOM 1741 OH TYR B 18 -20.108 -0.839 -3.307 1.00 0.00 O ATOM 0 H TYR B 18 -15.540 4.460 -7.063 1.00 0.00 H new ATOM 0 HA TYR B 18 -17.072 2.091 -7.536 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.536 3.652 -5.383 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.084 4.337 -5.837 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.714 0.839 -5.763 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -19.800 3.497 -4.515 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.858 -1.021 -4.637 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -20.943 1.641 -3.381 1.00 0.00 H new ATOM 0 HH TYR B 18 -20.842 -1.163 -3.869 1.00 0.00 H new